From 0b7ebf5f4937ffc9e61c65be7a51de4b7071b8b5 Mon Sep 17 00:00:00 2001 From: "bolz.13" Date: Tue, 7 May 2024 16:57:07 -0400 Subject: [PATCH 1/7] created robert_bolz directory in apps/pilot, added sid_erms app, and added it to apps.src.settings.all file, made two scripts in source to test and build said sid_erms app, and made an inputs directory in main to test the app. --- inputs/1UBQ.pdb | 970 ++++++++++++++++++ inputs/exp_ERMS.csv | 21 + inputs/test_ERMS.csv | 21 + source/build_sid_erms_app_debug.sh | 1 + source/src/apps/pilot/robert_bolz/sid_erms.cc | 60 ++ source/src/pilot_apps.src.settings.all | 3 + source/test_sid_erms_app_debug.sh | 1 + 7 files changed, 1077 insertions(+) create mode 100644 inputs/1UBQ.pdb create mode 100644 inputs/exp_ERMS.csv create mode 100644 inputs/test_ERMS.csv create mode 100755 source/build_sid_erms_app_debug.sh create mode 100644 source/src/apps/pilot/robert_bolz/sid_erms.cc create mode 100755 source/test_sid_erms_app_debug.sh diff --git a/inputs/1UBQ.pdb b/inputs/1UBQ.pdb new file mode 100644 index 00000000000..ac5211c1ac3 --- /dev/null +++ b/inputs/1UBQ.pdb @@ -0,0 +1,970 @@ +HEADER CHROMOSOMAL PROTEIN 02-JAN-87 1UBQ +TITLE STRUCTURE OF UBIQUITIN REFINED AT 1.8 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: UBIQUITIN; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606 +KEYWDS CHROMOSOMAL PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR S.VIJAY-KUMAR,C.E.BUGG,W.J.COOK +REVDAT 6 14-FEB-24 1UBQ 1 REMARK +REVDAT 5 09-MAR-11 1UBQ 1 REMARK +REVDAT 4 24-FEB-09 1UBQ 1 VERSN +REVDAT 3 01-APR-03 1UBQ 1 JRNL +REVDAT 2 16-JUL-87 1UBQ 1 JRNL REMARK +REVDAT 1 16-APR-87 1UBQ 0 +JRNL AUTH S.VIJAY-KUMAR,C.E.BUGG,W.J.COOK +JRNL TITL STRUCTURE OF UBIQUITIN REFINED AT 1.8 A RESOLUTION. +JRNL REF J.MOL.BIOL. V. 194 531 1987 +JRNL REFN ISSN 0022-2836 +JRNL PMID 3041007 +JRNL DOI 10.1016/0022-2836(87)90679-6 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH S.VIJAY-KUMAR,C.E.BUGG,K.D.WILKINSON,R.D.VIERSTRA, +REMARK 1 AUTH 2 P.M.HATFIELD,W.J.COOK +REMARK 1 TITL COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF HUMAN, +REMARK 1 TITL 2 YEAST, AND OAT UBIQUITIN +REMARK 1 REF J.BIOL.CHEM. V. 262 6396 1987 +REMARK 1 REFN ISSN 0021-9258 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH S.VIJAY-KUMAR,C.E.BUGG,K.D.WILKINSON,W.J.COOK +REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF UBIQUITIN AT 2.8 ANGSTROMS +REMARK 1 TITL 2 RESOLUTION +REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 82 3582 1985 +REMARK 1 REFN ISSN 0027-8424 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH W.J.COOK,F.L.SUDDATH,C.E.BUGG,G.GOLDSTEIN +REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY INVESTIGATION OF +REMARK 1 TITL 2 UBIQUITIN, A NON-HISTONE CHROMOSOMAL PROTEIN +REMARK 1 REF J.MOL.BIOL. V. 130 353 1979 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 4 +REMARK 1 AUTH D.H.SCHLESINGER,G.GOLDSTEIN +REMARK 1 TITL MOLECULAR CONSERVATION OF 74 AMINO ACID SEQUENCE OF +REMARK 1 TITL 2 UBIQUITIN BETWEEN CATTLE AND MAN +REMARK 1 REF NATURE V. 255 423 1975 +REMARK 1 REFN ISSN 0028-0836 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PROLSQ +REMARK 3 AUTHORS : KONNERT,HENDRICKSON +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : NULL +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 +REMARK 3 R VALUE (WORKING SET) : NULL +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE (NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 602 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 58 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.016 ; NULL +REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : NULL ; NULL +REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL +REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : NULL ; NULL +REMARK 3 STAGGERED (DEGREES) : NULL ; NULL +REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1UBQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000176905. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 32.94 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.83 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.42000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 14.47500 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 21.38500 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 14.47500 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.42000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 21.38500 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OE2 GLU A 16 NH1 ARG A 72 1554 2.02 +REMARK 500 NZ LYS A 48 OXT GLY A 76 4467 2.16 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 LEU A 15 CA - CB - CG ANGL. DEV. = 14.0 DEGREES +REMARK 500 ARG A 54 CD - NE - CZ ANGL. DEV. = 12.4 DEGREES +REMARK 500 ARG A 54 NE - CZ - NH1 ANGL. DEV. = 5.5 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1UBQ A 1 76 UNP P62988 UBIQ_HUMAN 1 76 +SEQRES 1 A 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE +SEQRES 2 A 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL +SEQRES 3 A 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP +SEQRES 4 A 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP +SEQRES 5 A 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER +SEQRES 6 A 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY +FORMUL 2 HOH *58(H2 O) +HELIX 1 H1 ILE A 23 GLU A 34 1 12 +HELIX 2 H2 LEU A 56 TYR A 59 5 4 +SHEET 1 BET 5 GLY A 10 VAL A 17 0 +SHEET 2 BET 5 MET A 1 THR A 7 -1 +SHEET 3 BET 5 GLU A 64 ARG A 72 1 +SHEET 4 BET 5 GLN A 40 PHE A 45 -1 +SHEET 5 BET 5 LYS A 48 LEU A 50 -1 +CRYST1 50.840 42.770 28.950 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.019670 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.023381 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.034542 0.00000 +ATOM 1 N MET A 1 27.340 24.430 2.614 1.00 9.67 N +ATOM 2 CA MET A 1 26.266 25.413 2.842 1.00 10.38 C +ATOM 3 C MET A 1 26.913 26.639 3.531 1.00 9.62 C +ATOM 4 O MET A 1 27.886 26.463 4.263 1.00 9.62 O +ATOM 5 CB MET A 1 25.112 24.880 3.649 1.00 13.77 C +ATOM 6 CG MET A 1 25.353 24.860 5.134 1.00 16.29 C +ATOM 7 SD MET A 1 23.930 23.959 5.904 1.00 17.17 S +ATOM 8 CE MET A 1 24.447 23.984 7.620 1.00 16.11 C +ATOM 9 N GLN A 2 26.335 27.770 3.258 1.00 9.27 N +ATOM 10 CA GLN A 2 26.850 29.021 3.898 1.00 9.07 C +ATOM 11 C GLN A 2 26.100 29.253 5.202 1.00 8.72 C +ATOM 12 O GLN A 2 24.865 29.024 5.330 1.00 8.22 O +ATOM 13 CB GLN A 2 26.733 30.148 2.905 1.00 14.46 C +ATOM 14 CG GLN A 2 26.882 31.546 3.409 1.00 17.01 C +ATOM 15 CD GLN A 2 26.786 32.562 2.270 1.00 20.10 C +ATOM 16 OE1 GLN A 2 27.783 33.160 1.870 1.00 21.89 O +ATOM 17 NE2 GLN A 2 25.562 32.733 1.806 1.00 19.49 N +ATOM 18 N ILE A 3 26.849 29.656 6.217 1.00 5.87 N +ATOM 19 CA ILE A 3 26.235 30.058 7.497 1.00 5.07 C +ATOM 20 C ILE A 3 26.882 31.428 7.862 1.00 4.01 C +ATOM 21 O ILE A 3 27.906 31.711 7.264 1.00 4.61 O +ATOM 22 CB ILE A 3 26.344 29.050 8.645 1.00 6.55 C +ATOM 23 CG1 ILE A 3 27.810 28.748 8.999 1.00 4.72 C +ATOM 24 CG2 ILE A 3 25.491 27.771 8.287 1.00 5.58 C +ATOM 25 CD1 ILE A 3 27.967 28.087 10.417 1.00 10.83 C +ATOM 26 N PHE A 4 26.214 32.097 8.771 1.00 4.55 N +ATOM 27 CA PHE A 4 26.772 33.436 9.197 1.00 4.68 C +ATOM 28 C PHE A 4 27.151 33.362 10.650 1.00 5.30 C +ATOM 29 O PHE A 4 26.350 32.778 11.395 1.00 5.58 O +ATOM 30 CB PHE A 4 25.695 34.498 8.946 1.00 4.83 C +ATOM 31 CG PHE A 4 25.288 34.609 7.499 1.00 7.97 C +ATOM 32 CD1 PHE A 4 24.147 33.966 7.038 1.00 6.69 C +ATOM 33 CD2 PHE A 4 26.136 35.346 6.640 1.00 8.34 C +ATOM 34 CE1 PHE A 4 23.812 34.031 5.677 1.00 9.10 C +ATOM 35 CE2 PHE A 4 25.810 35.392 5.267 1.00 10.61 C +ATOM 36 CZ PHE A 4 24.620 34.778 4.853 1.00 8.90 C +ATOM 37 N VAL A 5 28.260 33.943 11.096 1.00 4.44 N +ATOM 38 CA VAL A 5 28.605 33.965 12.503 1.00 3.87 C +ATOM 39 C VAL A 5 28.638 35.461 12.900 1.00 4.93 C +ATOM 40 O VAL A 5 29.522 36.103 12.320 1.00 6.84 O +ATOM 41 CB VAL A 5 29.963 33.317 12.814 1.00 2.99 C +ATOM 42 CG1 VAL A 5 30.211 33.394 14.304 1.00 5.28 C +ATOM 43 CG2 VAL A 5 29.957 31.838 12.352 1.00 9.13 C +ATOM 44 N LYS A 6 27.751 35.867 13.740 1.00 6.04 N +ATOM 45 CA LYS A 6 27.691 37.315 14.143 1.00 6.12 C +ATOM 46 C LYS A 6 28.469 37.475 15.420 1.00 6.57 C +ATOM 47 O LYS A 6 28.213 36.753 16.411 1.00 5.76 O +ATOM 48 CB LYS A 6 26.219 37.684 14.307 1.00 7.45 C +ATOM 49 CG LYS A 6 25.884 39.139 14.615 1.00 11.12 C +ATOM 50 CD LYS A 6 24.348 39.296 14.642 1.00 14.54 C +ATOM 51 CE LYS A 6 23.865 40.723 14.749 1.00 18.84 C +ATOM 52 NZ LYS A 6 22.375 40.720 14.907 1.00 20.55 N +ATOM 53 N THR A 7 29.426 38.430 15.446 1.00 7.41 N +ATOM 54 CA THR A 7 30.225 38.643 16.662 1.00 7.48 C +ATOM 55 C THR A 7 29.664 39.839 17.434 1.00 8.75 C +ATOM 56 O THR A 7 28.850 40.565 16.859 1.00 8.58 O +ATOM 57 CB THR A 7 31.744 38.879 16.299 1.00 9.61 C +ATOM 58 OG1 THR A 7 31.737 40.257 15.824 1.00 11.78 O +ATOM 59 CG2 THR A 7 32.260 37.969 15.171 1.00 9.17 C +ATOM 60 N LEU A 8 30.132 40.069 18.642 1.00 9.84 N +ATOM 61 CA LEU A 8 29.607 41.180 19.467 1.00 14.15 C +ATOM 62 C LEU A 8 30.075 42.538 18.984 1.00 17.37 C +ATOM 63 O LEU A 8 29.586 43.570 19.483 1.00 17.01 O +ATOM 64 CB LEU A 8 29.919 40.890 20.938 1.00 16.63 C +ATOM 65 CG LEU A 8 29.183 39.722 21.581 1.00 18.88 C +ATOM 66 CD1 LEU A 8 29.308 39.750 23.095 1.00 19.31 C +ATOM 67 CD2 LEU A 8 27.700 39.721 21.228 1.00 18.59 C +ATOM 68 N THR A 9 30.991 42.571 17.998 1.00 18.33 N +ATOM 69 CA THR A 9 31.422 43.940 17.553 1.00 19.24 C +ATOM 70 C THR A 9 30.755 44.351 16.277 1.00 19.48 C +ATOM 71 O THR A 9 31.207 45.268 15.566 1.00 23.14 O +ATOM 72 CB THR A 9 32.979 43.918 17.445 1.00 18.97 C +ATOM 73 OG1 THR A 9 33.174 43.067 16.265 1.00 20.24 O +ATOM 74 CG2 THR A 9 33.657 43.319 18.672 1.00 19.70 C +ATOM 75 N GLY A 10 29.721 43.673 15.885 1.00 19.43 N +ATOM 76 CA GLY A 10 28.978 43.960 14.678 1.00 18.74 C +ATOM 77 C GLY A 10 29.604 43.507 13.393 1.00 17.62 C +ATOM 78 O GLY A 10 29.219 43.981 12.301 1.00 19.74 O +ATOM 79 N LYS A 11 30.563 42.623 13.495 1.00 13.56 N +ATOM 80 CA LYS A 11 31.191 42.012 12.331 1.00 11.91 C +ATOM 81 C LYS A 11 30.459 40.666 12.130 1.00 10.18 C +ATOM 82 O LYS A 11 30.253 39.991 13.133 1.00 9.10 O +ATOM 83 CB LYS A 11 32.672 41.717 12.505 1.00 13.43 C +ATOM 84 CG LYS A 11 33.280 41.086 11.227 1.00 16.69 C +ATOM 85 CD LYS A 11 34.762 40.799 11.470 1.00 17.92 C +ATOM 86 CE LYS A 11 35.614 40.847 10.240 1.00 20.81 C +ATOM 87 NZ LYS A 11 35.100 40.073 9.101 1.00 21.93 N +ATOM 88 N THR A 12 30.163 40.338 10.886 1.00 9.63 N +ATOM 89 CA THR A 12 29.542 39.020 10.653 1.00 9.85 C +ATOM 90 C THR A 12 30.494 38.261 9.729 1.00 11.66 C +ATOM 91 O THR A 12 30.849 38.850 8.706 1.00 12.33 O +ATOM 92 CB THR A 12 28.113 39.049 10.015 1.00 10.85 C +ATOM 93 OG1 THR A 12 27.280 39.722 10.996 1.00 10.91 O +ATOM 94 CG2 THR A 12 27.588 37.635 9.715 1.00 9.63 C +ATOM 95 N ILE A 13 30.795 37.015 10.095 1.00 10.42 N +ATOM 96 CA ILE A 13 31.720 36.289 9.176 1.00 11.84 C +ATOM 97 C ILE A 13 30.955 35.211 8.459 1.00 10.55 C +ATOM 98 O ILE A 13 30.025 34.618 9.040 1.00 11.92 O +ATOM 99 CB ILE A 13 32.995 35.883 9.934 1.00 14.86 C +ATOM 100 CG1 ILE A 13 33.306 34.381 9.840 1.00 14.87 C +ATOM 101 CG2 ILE A 13 33.109 36.381 11.435 1.00 17.08 C +ATOM 102 CD1 ILE A 13 34.535 34.028 10.720 1.00 16.46 C +ATOM 103 N THR A 14 31.244 34.986 7.197 1.00 9.39 N +ATOM 104 CA THR A 14 30.505 33.884 6.512 1.00 9.63 C +ATOM 105 C THR A 14 31.409 32.680 6.446 1.00 11.20 C +ATOM 106 O THR A 14 32.619 32.812 6.125 1.00 11.63 O +ATOM 107 CB THR A 14 30.091 34.393 5.078 1.00 10.38 C +ATOM 108 OG1 THR A 14 31.440 34.513 4.487 1.00 16.30 O +ATOM 109 CG2 THR A 14 29.420 35.756 5.119 1.00 11.66 C +ATOM 110 N LEU A 15 30.884 31.485 6.666 1.00 8.29 N +ATOM 111 CA LEU A 15 31.677 30.275 6.639 1.00 9.03 C +ATOM 112 C LEU A 15 31.022 29.288 5.665 1.00 8.59 C +ATOM 113 O LEU A 15 29.809 29.395 5.545 1.00 7.79 O +ATOM 114 CB LEU A 15 31.562 29.686 8.045 1.00 11.08 C +ATOM 115 CG LEU A 15 32.631 29.444 9.060 1.00 15.79 C +ATOM 116 CD1 LEU A 15 33.814 30.390 9.030 1.00 15.88 C +ATOM 117 CD2 LEU A 15 31.945 29.449 10.436 1.00 15.27 C +ATOM 118 N GLU A 16 31.834 28.412 5.125 1.00 11.04 N +ATOM 119 CA GLU A 16 31.220 27.341 4.275 1.00 11.50 C +ATOM 120 C GLU A 16 31.440 26.079 5.080 1.00 10.13 C +ATOM 121 O GLU A 16 32.576 25.802 5.461 1.00 9.83 O +ATOM 122 CB GLU A 16 31.827 27.262 2.894 1.00 17.22 C +ATOM 123 CG GLU A 16 31.363 28.410 1.962 1.00 23.33 C +ATOM 124 CD GLU A 16 31.671 28.291 0.498 1.00 26.99 C +ATOM 125 OE1 GLU A 16 30.869 28.621 -0.366 1.00 28.86 O +ATOM 126 OE2 GLU A 16 32.835 27.861 0.278 1.00 28.90 O +ATOM 127 N VAL A 17 30.310 25.458 5.384 1.00 8.99 N +ATOM 128 CA VAL A 17 30.288 24.245 6.193 1.00 8.85 C +ATOM 129 C VAL A 17 29.279 23.227 5.641 1.00 8.04 C +ATOM 130 O VAL A 17 28.478 23.522 4.725 1.00 8.99 O +ATOM 131 CB VAL A 17 29.903 24.590 7.665 1.00 9.78 C +ATOM 132 CG1 VAL A 17 30.862 25.496 8.389 1.00 12.05 C +ATOM 133 CG2 VAL A 17 28.476 25.135 7.705 1.00 10.54 C +ATOM 134 N GLU A 18 29.380 22.057 6.232 1.00 7.29 N +ATOM 135 CA GLU A 18 28.468 20.940 5.980 1.00 7.08 C +ATOM 136 C GLU A 18 27.819 20.609 7.316 1.00 6.45 C +ATOM 137 O GLU A 18 28.449 20.674 8.360 1.00 5.28 O +ATOM 138 CB GLU A 18 29.213 19.697 5.506 1.00 10.28 C +ATOM 139 CG GLU A 18 29.728 19.755 4.060 1.00 12.65 C +ATOM 140 CD GLU A 18 28.754 20.061 2.978 1.00 14.15 C +ATOM 141 OE1 GLU A 18 27.546 19.992 2.985 1.00 14.33 O +ATOM 142 OE2 GLU A 18 29.336 20.423 1.904 1.00 18.17 O +ATOM 143 N PRO A 19 26.559 20.220 7.288 1.00 7.24 N +ATOM 144 CA PRO A 19 25.829 19.825 8.494 1.00 7.07 C +ATOM 145 C PRO A 19 26.541 18.732 9.251 1.00 6.65 C +ATOM 146 O PRO A 19 26.333 18.536 10.457 1.00 6.37 O +ATOM 147 CB PRO A 19 24.469 19.332 7.952 1.00 7.61 C +ATOM 148 CG PRO A 19 24.299 20.134 6.704 1.00 8.16 C +ATOM 149 CD PRO A 19 25.714 20.108 6.073 1.00 7.49 C +ATOM 150 N SER A 20 27.361 17.959 8.559 1.00 6.80 N +ATOM 151 CA SER A 20 28.054 16.835 9.210 1.00 6.28 C +ATOM 152 C SER A 20 29.258 17.318 9.984 1.00 8.45 C +ATOM 153 O SER A 20 29.930 16.477 10.606 1.00 7.26 O +ATOM 154 CB SER A 20 28.523 15.820 8.182 1.00 8.57 C +ATOM 155 OG SER A 20 28.946 16.445 6.967 1.00 11.13 O +ATOM 156 N ASP A 21 29.599 18.599 9.828 1.00 7.50 N +ATOM 157 CA ASP A 21 30.796 19.083 10.566 1.00 7.70 C +ATOM 158 C ASP A 21 30.491 19.162 12.040 1.00 7.08 C +ATOM 159 O ASP A 21 29.367 19.523 12.441 1.00 8.11 O +ATOM 160 CB ASP A 21 31.155 20.515 10.048 1.00 11.00 C +ATOM 161 CG ASP A 21 31.923 20.436 8.755 1.00 15.32 C +ATOM 162 OD1 ASP A 21 32.493 19.374 8.456 1.00 18.03 O +ATOM 163 OD2 ASP A 21 31.838 21.402 7.968 1.00 14.36 O +ATOM 164 N THR A 22 31.510 18.936 12.852 1.00 5.37 N +ATOM 165 CA THR A 22 31.398 19.064 14.286 1.00 6.01 C +ATOM 166 C THR A 22 31.593 20.553 14.655 1.00 8.01 C +ATOM 167 O THR A 22 32.159 21.311 13.861 1.00 8.11 O +ATOM 168 CB THR A 22 32.492 18.193 14.995 1.00 8.92 C +ATOM 169 OG1 THR A 22 33.778 18.739 14.516 1.00 10.22 O +ATOM 170 CG2 THR A 22 32.352 16.700 14.630 1.00 9.65 C +ATOM 171 N ILE A 23 31.113 20.863 15.860 1.00 8.32 N +ATOM 172 CA ILE A 23 31.288 22.201 16.417 1.00 9.92 C +ATOM 173 C ILE A 23 32.776 22.519 16.577 1.00 10.01 C +ATOM 174 O ILE A 23 33.233 23.659 16.384 1.00 8.71 O +ATOM 175 CB ILE A 23 30.520 22.300 17.764 1.00 10.78 C +ATOM 176 CG1 ILE A 23 29.006 22.043 17.442 1.00 11.38 C +ATOM 177 CG2 ILE A 23 30.832 23.699 18.358 1.00 10.90 C +ATOM 178 CD1 ILE A 23 28.407 22.948 16.366 1.00 12.30 C +ATOM 179 N GLU A 24 33.548 21.526 16.950 1.00 9.54 N +ATOM 180 CA GLU A 24 35.031 21.722 17.069 1.00 11.81 C +ATOM 181 C GLU A 24 35.615 22.190 15.759 1.00 11.14 C +ATOM 182 O GLU A 24 36.532 23.046 15.724 1.00 10.62 O +ATOM 183 CB GLU A 24 35.667 20.383 17.447 1.00 19.24 C +ATOM 184 CG GLU A 24 37.128 20.293 17.872 1.00 27.76 C +ATOM 185 CD GLU A 24 37.561 18.851 18.082 1.00 32.92 C +ATOM 186 OE1 GLU A 24 37.758 18.024 17.195 1.00 34.80 O +ATOM 187 OE2 GLU A 24 37.628 18.599 19.313 1.00 36.51 O +ATOM 188 N ASN A 25 35.139 21.624 14.662 1.00 9.43 N +ATOM 189 CA ASN A 25 35.590 21.945 13.302 1.00 10.96 C +ATOM 190 C ASN A 25 35.238 23.382 12.920 1.00 9.68 C +ATOM 191 O ASN A 25 36.066 24.109 12.333 1.00 9.33 O +ATOM 192 CB ASN A 25 35.064 20.957 12.255 1.00 16.78 C +ATOM 193 CG ASN A 25 35.541 21.418 10.871 1.00 22.31 C +ATOM 194 OD1 ASN A 25 36.772 21.623 10.676 1.00 25.66 O +ATOM 195 ND2 ASN A 25 34.628 21.595 9.920 1.00 24.70 N +ATOM 196 N VAL A 26 34.007 23.745 13.250 1.00 6.52 N +ATOM 197 CA VAL A 26 33.533 25.097 12.978 1.00 5.53 C +ATOM 198 C VAL A 26 34.441 26.099 13.684 1.00 4.42 C +ATOM 199 O VAL A 26 34.883 27.090 13.093 1.00 3.40 O +ATOM 200 CB VAL A 26 32.060 25.257 13.364 1.00 3.86 C +ATOM 201 CG1 VAL A 26 31.684 26.749 13.342 1.00 7.25 C +ATOM 202 CG2 VAL A 26 31.152 24.421 12.477 1.00 8.12 C +ATOM 203 N LYS A 27 34.734 25.822 14.949 1.00 2.64 N +ATOM 204 CA LYS A 27 35.596 26.715 15.736 1.00 4.14 C +ATOM 205 C LYS A 27 36.975 26.826 15.107 1.00 5.58 C +ATOM 206 O LYS A 27 37.579 27.926 15.159 1.00 4.11 O +ATOM 207 CB LYS A 27 35.715 26.203 17.172 1.00 3.97 C +ATOM 208 CG LYS A 27 34.343 26.445 17.898 1.00 7.45 C +ATOM 209 CD LYS A 27 34.509 26.077 19.360 1.00 9.02 C +ATOM 210 CE LYS A 27 33.206 26.311 20.122 1.00 12.90 C +ATOM 211 NZ LYS A 27 33.455 25.910 21.546 1.00 15.47 N +ATOM 212 N ALA A 28 37.499 25.743 14.571 1.00 6.61 N +ATOM 213 CA ALA A 28 38.794 25.761 13.880 1.00 7.74 C +ATOM 214 C ALA A 28 38.728 26.591 12.611 1.00 9.17 C +ATOM 215 O ALA A 28 39.704 27.346 12.277 1.00 11.45 O +ATOM 216 CB ALA A 28 39.285 24.336 13.566 1.00 7.68 C +ATOM 217 N LYS A 29 37.633 26.543 11.867 1.00 8.96 N +ATOM 218 CA LYS A 29 37.471 27.391 10.668 1.00 7.90 C +ATOM 219 C LYS A 29 37.441 28.882 11.052 1.00 6.92 C +ATOM 220 O LYS A 29 38.020 29.772 10.382 1.00 6.87 O +ATOM 221 CB LYS A 29 36.193 27.058 9.911 1.00 10.28 C +ATOM 222 CG LYS A 29 36.153 25.620 9.409 1.00 14.94 C +ATOM 223 CD LYS A 29 34.758 25.280 8.900 1.00 19.69 C +ATOM 224 CE LYS A 29 34.793 24.264 7.767 1.00 22.63 C +ATOM 225 NZ LYS A 29 34.914 24.944 6.441 1.00 24.98 N +ATOM 226 N ILE A 30 36.811 29.170 12.192 1.00 4.57 N +ATOM 227 CA ILE A 30 36.731 30.570 12.645 1.00 5.58 C +ATOM 228 C ILE A 30 38.148 30.981 13.069 1.00 7.26 C +ATOM 229 O ILE A 30 38.544 32.150 12.856 1.00 9.46 O +ATOM 230 CB ILE A 30 35.708 30.776 13.806 1.00 5.36 C +ATOM 231 CG1 ILE A 30 34.228 30.630 13.319 1.00 2.94 C +ATOM 232 CG2 ILE A 30 35.874 32.138 14.512 1.00 2.78 C +ATOM 233 CD1 ILE A 30 33.284 30.504 14.552 1.00 2.00 C +ATOM 234 N GLN A 31 38.883 30.110 13.713 1.00 7.06 N +ATOM 235 CA GLN A 31 40.269 30.508 14.115 1.00 8.67 C +ATOM 236 C GLN A 31 41.092 30.808 12.851 1.00 10.90 C +ATOM 237 O GLN A 31 41.828 31.808 12.681 1.00 9.63 O +ATOM 238 CB GLN A 31 40.996 29.399 14.865 1.00 9.12 C +ATOM 239 CG GLN A 31 42.445 29.848 15.182 1.00 10.76 C +ATOM 240 CD GLN A 31 43.090 28.828 16.095 1.00 13.78 C +ATOM 241 OE1 GLN A 31 42.770 27.655 15.906 1.00 14.48 O +ATOM 242 NE2 GLN A 31 43.898 29.252 17.050 1.00 14.76 N +ATOM 243 N ASP A 32 41.001 29.878 11.931 1.00 10.93 N +ATOM 244 CA ASP A 32 41.718 30.022 10.643 1.00 14.01 C +ATOM 245 C ASP A 32 41.399 31.338 9.967 1.00 14.04 C +ATOM 246 O ASP A 32 42.260 32.036 9.381 1.00 13.39 O +ATOM 247 CB ASP A 32 41.398 28.780 9.810 1.00 18.01 C +ATOM 248 CG ASP A 32 42.626 28.557 8.928 1.00 24.33 C +ATOM 249 OD1 ASP A 32 43.666 28.262 9.539 1.00 26.29 O +ATOM 250 OD2 ASP A 32 42.430 28.812 7.728 1.00 25.17 O +ATOM 251 N LYS A 33 40.117 31.750 9.988 1.00 14.22 N +ATOM 252 CA LYS A 33 39.808 32.994 9.233 1.00 14.00 C +ATOM 253 C LYS A 33 39.837 34.271 9.995 1.00 12.37 C +ATOM 254 O LYS A 33 40.164 35.323 9.345 1.00 12.17 O +ATOM 255 CB LYS A 33 38.615 32.801 8.320 1.00 18.62 C +ATOM 256 CG LYS A 33 37.220 32.822 8.827 1.00 24.00 C +ATOM 257 CD LYS A 33 36.351 33.613 7.838 1.00 27.61 C +ATOM 258 CE LYS A 33 36.322 32.944 6.477 1.00 27.64 C +ATOM 259 NZ LYS A 33 35.768 33.945 5.489 1.00 30.06 N +ATOM 260 N GLU A 34 39.655 34.335 11.285 1.00 10.11 N +ATOM 261 CA GLU A 34 39.676 35.547 12.072 1.00 10.07 C +ATOM 262 C GLU A 34 40.675 35.527 13.200 1.00 9.32 C +ATOM 263 O GLU A 34 40.814 36.528 13.911 1.00 11.61 O +ATOM 264 CB GLU A 34 38.290 35.814 12.698 1.00 14.77 C +ATOM 265 CG GLU A 34 37.156 35.985 11.688 1.00 18.75 C +ATOM 266 CD GLU A 34 37.192 37.361 11.033 1.00 22.28 C +ATOM 267 OE1 GLU A 34 37.519 38.360 11.645 1.00 21.95 O +ATOM 268 OE2 GLU A 34 36.861 37.320 9.822 1.00 25.19 O +ATOM 269 N GLY A 35 41.317 34.393 13.432 1.00 7.22 N +ATOM 270 CA GLY A 35 42.345 34.269 14.431 1.00 6.29 C +ATOM 271 C GLY A 35 41.949 34.076 15.842 1.00 6.93 C +ATOM 272 O GLY A 35 42.829 34.000 16.739 1.00 7.41 O +ATOM 273 N ILE A 36 40.642 33.916 16.112 1.00 5.86 N +ATOM 274 CA ILE A 36 40.226 33.716 17.509 1.00 6.07 C +ATOM 275 C ILE A 36 40.449 32.278 17.945 1.00 6.36 C +ATOM 276 O ILE A 36 39.936 31.336 17.315 1.00 6.18 O +ATOM 277 CB ILE A 36 38.693 34.106 17.595 1.00 7.47 C +ATOM 278 CG1 ILE A 36 38.471 35.546 17.045 1.00 8.52 C +ATOM 279 CG2 ILE A 36 38.146 33.932 19.027 1.00 7.36 C +ATOM 280 CD1 ILE A 36 36.958 35.746 16.680 1.00 9.49 C +ATOM 281 N PRO A 37 41.189 32.085 19.031 1.00 8.65 N +ATOM 282 CA PRO A 37 41.461 30.751 19.594 1.00 9.18 C +ATOM 283 C PRO A 37 40.168 30.026 19.918 1.00 9.85 C +ATOM 284 O PRO A 37 39.264 30.662 20.521 1.00 8.51 O +ATOM 285 CB PRO A 37 42.195 31.142 20.913 1.00 11.42 C +ATOM 286 CG PRO A 37 42.904 32.414 20.553 1.00 9.27 C +ATOM 287 CD PRO A 37 41.822 33.188 19.813 1.00 8.33 C +ATOM 288 N PRO A 38 40.059 28.758 19.607 1.00 8.71 N +ATOM 289 CA PRO A 38 38.817 28.020 19.889 1.00 9.08 C +ATOM 290 C PRO A 38 38.421 28.048 21.341 1.00 9.28 C +ATOM 291 O PRO A 38 37.213 28.036 21.704 1.00 6.50 O +ATOM 292 CB PRO A 38 39.090 26.629 19.325 1.00 10.31 C +ATOM 293 CG PRO A 38 40.082 26.904 18.198 1.00 10.81 C +ATOM 294 CD PRO A 38 41.035 27.909 18.879 1.00 12.00 C +ATOM 295 N ASP A 39 39.374 28.090 22.240 1.00 11.20 N +ATOM 296 CA ASP A 39 39.063 28.063 23.695 1.00 14.96 C +ATOM 297 C ASP A 39 38.365 29.335 24.159 1.00 13.99 C +ATOM 298 O ASP A 39 37.684 29.390 25.221 1.00 13.75 O +ATOM 299 CB ASP A 39 40.340 27.692 24.468 1.00 24.16 C +ATOM 300 CG ASP A 39 40.559 28.585 25.675 1.00 31.06 C +ATOM 301 OD1 ASP A 39 40.716 29.809 25.456 1.00 35.55 O +ATOM 302 OD2 ASP A 39 40.549 28.090 26.840 1.00 34.22 O +ATOM 303 N GLN A 40 38.419 30.373 23.341 1.00 11.60 N +ATOM 304 CA GLN A 40 37.738 31.637 23.712 1.00 10.76 C +ATOM 305 C GLN A 40 36.334 31.742 23.087 1.00 8.01 C +ATOM 306 O GLN A 40 35.574 32.618 23.483 1.00 8.96 O +ATOM 307 CB GLN A 40 38.528 32.854 23.182 1.00 11.14 C +ATOM 308 CG GLN A 40 39.919 32.854 23.840 1.00 14.85 C +ATOM 309 CD GLN A 40 40.760 34.036 23.394 1.00 16.11 C +ATOM 310 OE1 GLN A 40 41.975 34.008 23.624 1.00 20.52 O +ATOM 311 NE2 GLN A 40 40.140 35.007 22.775 1.00 18.16 N +ATOM 312 N GLN A 41 36.000 30.860 22.172 1.00 6.52 N +ATOM 313 CA GLN A 41 34.738 30.875 21.473 1.00 3.87 C +ATOM 314 C GLN A 41 33.589 30.189 22.181 1.00 4.79 C +ATOM 315 O GLN A 41 33.580 29.009 22.499 1.00 6.34 O +ATOM 316 CB GLN A 41 34.876 30.237 20.066 1.00 4.20 C +ATOM 317 CG GLN A 41 36.012 30.860 19.221 1.00 3.20 C +ATOM 318 CD GLN A 41 36.083 30.194 17.875 1.00 4.89 C +ATOM 319 OE1 GLN A 41 35.048 29.702 17.393 1.00 5.21 O +ATOM 320 NE2 GLN A 41 37.228 30.126 17.233 1.00 7.13 N +ATOM 321 N ARG A 42 32.478 30.917 22.269 1.00 5.73 N +ATOM 322 CA ARG A 42 31.200 30.329 22.780 1.00 6.97 C +ATOM 323 C ARG A 42 30.210 30.509 21.650 1.00 7.15 C +ATOM 324 O ARG A 42 29.978 31.726 21.269 1.00 7.33 O +ATOM 325 CB ARG A 42 30.847 30.931 24.118 1.00 13.23 C +ATOM 326 CG ARG A 42 29.412 30.796 24.598 1.00 21.27 C +ATOM 327 CD ARG A 42 29.271 31.314 26.016 1.00 26.14 C +ATOM 328 NE ARG A 42 27.875 31.317 26.443 1.00 32.26 N +ATOM 329 CZ ARG A 42 27.132 32.423 26.574 1.00 34.32 C +ATOM 330 NH1 ARG A 42 27.630 33.656 26.461 1.00 35.30 N +ATOM 331 NH2 ARG A 42 25.810 32.299 26.732 1.00 36.39 N +ATOM 332 N LEU A 43 29.694 29.436 21.054 1.00 4.65 N +ATOM 333 CA LEU A 43 28.762 29.573 19.906 1.00 3.51 C +ATOM 334 C LEU A 43 27.331 29.317 20.364 1.00 5.56 C +ATOM 335 O LEU A 43 27.101 28.346 21.097 1.00 4.19 O +ATOM 336 CB LEU A 43 29.151 28.655 18.755 1.00 3.74 C +ATOM 337 CG LEU A 43 30.416 28.912 17.980 1.00 6.32 C +ATOM 338 CD1 LEU A 43 30.738 27.693 17.122 1.00 9.55 C +ATOM 339 CD2 LEU A 43 30.205 30.168 17.129 1.00 6.41 C +ATOM 340 N ILE A 44 26.436 30.232 20.004 1.00 4.58 N +ATOM 341 CA ILE A 44 25.034 30.170 20.401 1.00 5.55 C +ATOM 342 C ILE A 44 24.101 30.149 19.196 1.00 5.46 C +ATOM 343 O ILE A 44 24.196 30.948 18.287 1.00 6.04 O +ATOM 344 CB ILE A 44 24.639 31.426 21.286 1.00 6.80 C +ATOM 345 CG1 ILE A 44 25.646 31.670 22.421 1.00 10.31 C +ATOM 346 CG2 ILE A 44 23.181 31.309 21.824 1.00 7.39 C +ATOM 347 CD1 ILE A 44 25.778 30.436 23.356 1.00 13.90 C +ATOM 348 N PHE A 45 23.141 29.187 19.241 1.00 6.75 N +ATOM 349 CA PHE A 45 22.126 29.062 18.183 1.00 4.70 C +ATOM 350 C PHE A 45 20.835 28.629 18.904 1.00 6.34 C +ATOM 351 O PHE A 45 20.821 27.734 19.749 1.00 5.45 O +ATOM 352 CB PHE A 45 22.494 28.057 17.109 1.00 5.51 C +ATOM 353 CG PHE A 45 21.447 27.869 16.026 1.00 5.98 C +ATOM 354 CD1 PHE A 45 21.325 28.813 15.005 1.00 6.86 C +ATOM 355 CD2 PHE A 45 20.638 26.735 16.053 1.00 5.87 C +ATOM 356 CE1 PHE A 45 20.369 28.648 14.001 1.00 6.68 C +ATOM 357 CE2 PHE A 45 19.677 26.539 15.051 1.00 6.64 C +ATOM 358 CZ PHE A 45 19.593 27.465 14.021 1.00 6.84 C +ATOM 359 N ALA A 46 19.810 29.378 18.578 1.00 6.53 N +ATOM 360 CA ALA A 46 18.443 29.143 19.083 1.00 7.15 C +ATOM 361 C ALA A 46 18.453 28.941 20.591 1.00 9.00 C +ATOM 362 O ALA A 46 17.860 27.994 21.128 1.00 11.15 O +ATOM 363 CB ALA A 46 17.864 27.977 18.346 1.00 8.99 C +ATOM 364 N GLY A 47 19.172 29.808 21.243 1.00 9.35 N +ATOM 365 CA GLY A 47 19.399 29.894 22.655 1.00 11.68 C +ATOM 366 C GLY A 47 20.083 28.729 23.321 1.00 11.14 C +ATOM 367 O GLY A 47 19.991 28.584 24.561 1.00 13.93 O +ATOM 368 N LYS A 48 20.801 27.931 22.578 1.00 10.47 N +ATOM 369 CA LYS A 48 21.550 26.796 23.133 1.00 8.82 C +ATOM 370 C LYS A 48 23.046 27.087 22.913 1.00 7.68 C +ATOM 371 O LYS A 48 23.383 27.627 21.870 1.00 6.47 O +ATOM 372 CB LYS A 48 21.242 25.519 22.391 1.00 9.74 C +ATOM 373 CG LYS A 48 19.762 25.077 22.455 1.00 14.14 C +ATOM 374 CD LYS A 48 19.634 23.885 21.531 1.00 16.32 C +ATOM 375 CE LYS A 48 18.791 24.221 20.313 1.00 20.04 C +ATOM 376 NZ LYS A 48 17.440 24.655 20.827 1.00 23.92 N +ATOM 377 N GLN A 49 23.880 26.727 23.851 1.00 8.89 N +ATOM 378 CA GLN A 49 25.349 26.872 23.643 1.00 7.18 C +ATOM 379 C GLN A 49 25.743 25.586 22.922 1.00 8.23 C +ATOM 380 O GLN A 49 25.325 24.489 23.378 1.00 9.70 O +ATOM 381 CB GLN A 49 26.070 27.025 24.960 1.00 11.67 C +ATOM 382 CG GLN A 49 27.553 27.356 24.695 1.00 15.82 C +ATOM 383 CD GLN A 49 28.262 27.576 26.020 1.00 20.21 C +ATOM 384 OE1 GLN A 49 29.189 26.840 26.335 1.00 23.23 O +ATOM 385 NE2 GLN A 49 27.777 28.585 26.739 1.00 20.67 N +ATOM 386 N LEU A 50 26.465 25.689 21.833 1.00 6.51 N +ATOM 387 CA LEU A 50 26.826 24.521 21.012 1.00 7.41 C +ATOM 388 C LEU A 50 27.994 23.781 21.643 1.00 8.27 C +ATOM 389 O LEU A 50 28.904 24.444 22.098 1.00 8.34 O +ATOM 390 CB LEU A 50 27.043 24.992 19.571 1.00 7.13 C +ATOM 391 CG LEU A 50 25.931 25.844 18.959 1.00 7.53 C +ATOM 392 CD1 LEU A 50 26.203 26.083 17.471 1.00 8.14 C +ATOM 393 CD2 LEU A 50 24.577 25.190 19.079 1.00 9.11 C +ATOM 394 N GLU A 51 27.942 22.448 21.648 1.00 9.43 N +ATOM 395 CA GLU A 51 29.015 21.657 22.288 1.00 11.90 C +ATOM 396 C GLU A 51 29.942 21.106 21.240 1.00 11.49 C +ATOM 397 O GLU A 51 29.470 20.677 20.190 1.00 9.88 O +ATOM 398 CB GLU A 51 28.348 20.540 23.066 1.00 16.56 C +ATOM 399 CG GLU A 51 29.247 19.456 23.705 1.00 26.06 C +ATOM 400 CD GLU A 51 28.722 19.047 25.066 1.00 29.86 C +ATOM 401 OE1 GLU A 51 29.139 18.132 25.746 1.00 32.13 O +ATOM 402 OE2 GLU A 51 27.777 19.842 25.367 1.00 33.44 O +ATOM 403 N ASP A 52 31.233 21.090 21.459 1.00 12.71 N +ATOM 404 CA ASP A 52 32.262 20.670 20.514 1.00 16.56 C +ATOM 405 C ASP A 52 32.128 19.364 19.750 1.00 15.83 C +ATOM 406 O ASP A 52 32.546 19.317 18.558 1.00 17.21 O +ATOM 407 CB ASP A 52 33.638 20.716 21.242 1.00 21.05 C +ATOM 408 CG ASP A 52 34.174 22.129 21.354 1.00 25.12 C +ATOM 409 OD1 ASP A 52 35.252 22.322 21.958 1.00 28.37 O +ATOM 410 OD2 ASP A 52 33.544 23.086 20.883 1.00 25.82 O +ATOM 411 N GLY A 53 31.697 18.311 20.406 1.00 15.00 N +ATOM 412 CA GLY A 53 31.568 16.962 19.825 1.00 11.77 C +ATOM 413 C GLY A 53 30.320 16.698 19.051 1.00 11.10 C +ATOM 414 O GLY A 53 30.198 15.657 18.366 1.00 11.25 O +ATOM 415 N ARG A 54 29.340 17.594 19.076 1.00 8.53 N +ATOM 416 CA ARG A 54 28.108 17.439 18.276 1.00 9.05 C +ATOM 417 C ARG A 54 28.375 17.999 16.887 1.00 8.96 C +ATOM 418 O ARG A 54 29.326 18.786 16.690 1.00 11.60 O +ATOM 419 CB ARG A 54 26.926 18.191 18.892 1.00 7.97 C +ATOM 420 CG ARG A 54 26.621 17.799 20.352 1.00 9.62 C +ATOM 421 CD ARG A 54 26.010 16.370 20.280 1.00 12.20 C +ATOM 422 NE ARG A 54 26.975 15.521 20.942 1.00 18.23 N +ATOM 423 CZ ARG A 54 27.603 14.423 20.655 1.00 22.08 C +ATOM 424 NH1 ARG A 54 27.479 13.733 19.537 1.00 23.38 N +ATOM 425 NH2 ARG A 54 28.519 13.967 21.550 1.00 25.50 N +ATOM 426 N THR A 55 27.510 17.689 15.954 1.00 9.05 N +ATOM 427 CA THR A 55 27.574 18.192 14.563 1.00 9.03 C +ATOM 428 C THR A 55 26.482 19.280 14.432 1.00 8.15 C +ATOM 429 O THR A 55 25.609 19.388 15.287 1.00 5.91 O +ATOM 430 CB THR A 55 27.299 17.055 13.533 1.00 11.15 C +ATOM 431 OG1 THR A 55 25.925 16.611 13.913 1.00 11.95 O +ATOM 432 CG2 THR A 55 28.236 15.864 13.558 1.00 11.71 C +ATOM 433 N LEU A 56 26.585 20.063 13.378 1.00 6.91 N +ATOM 434 CA LEU A 56 25.594 21.109 13.072 1.00 8.29 C +ATOM 435 C LEU A 56 24.241 20.436 12.857 1.00 8.05 C +ATOM 436 O LEU A 56 23.264 20.951 13.329 1.00 10.17 O +ATOM 437 CB LEU A 56 26.084 21.888 11.833 1.00 6.60 C +ATOM 438 CG LEU A 56 27.426 22.616 11.902 1.00 7.73 C +ATOM 439 CD1 LEU A 56 27.718 23.341 10.578 1.00 9.85 C +ATOM 440 CD2 LEU A 56 27.380 23.721 12.955 1.00 8.64 C +ATOM 441 N SER A 57 24.240 19.233 12.246 1.00 8.92 N +ATOM 442 CA SER A 57 22.924 18.583 12.025 1.00 9.00 C +ATOM 443 C SER A 57 22.229 18.244 13.325 1.00 9.44 C +ATOM 444 O SER A 57 20.963 18.253 13.395 1.00 10.91 O +ATOM 445 CB SER A 57 23.059 17.326 11.154 1.00 10.32 C +ATOM 446 OG SER A 57 23.914 16.395 11.755 1.00 13.59 O +ATOM 447 N ASP A 58 22.997 17.978 14.366 1.00 9.11 N +ATOM 448 CA ASP A 58 22.418 17.638 15.693 1.00 7.91 C +ATOM 449 C ASP A 58 21.460 18.737 16.163 1.00 9.12 C +ATOM 450 O ASP A 58 20.497 18.506 16.900 1.00 8.61 O +ATOM 451 CB ASP A 58 23.461 17.331 16.741 1.00 8.41 C +ATOM 452 CG ASP A 58 24.184 16.016 16.619 1.00 11.50 C +ATOM 453 OD1 ASP A 58 25.303 15.894 17.152 1.00 10.05 O +ATOM 454 OD2 ASP A 58 23.572 15.107 15.975 1.00 11.70 O +ATOM 455 N TYR A 59 21.846 19.954 15.905 1.00 7.97 N +ATOM 456 CA TYR A 59 21.079 21.149 16.251 1.00 8.45 C +ATOM 457 C TYR A 59 20.142 21.590 15.149 1.00 10.98 C +ATOM 458 O TYR A 59 19.499 22.645 15.321 1.00 12.95 O +ATOM 459 CB TYR A 59 22.085 22.254 16.581 1.00 7.94 C +ATOM 460 CG TYR A 59 22.945 21.951 17.785 1.00 6.91 C +ATOM 461 CD1 TYR A 59 24.272 21.544 17.644 1.00 4.59 C +ATOM 462 CD2 TYR A 59 22.437 22.157 19.065 1.00 6.98 C +ATOM 463 CE1 TYR A 59 25.052 21.285 18.776 1.00 5.39 C +ATOM 464 CE2 TYR A 59 23.204 21.907 20.192 1.00 6.52 C +ATOM 465 CZ TYR A 59 24.517 21.470 20.030 1.00 6.76 C +ATOM 466 OH TYR A 59 25.248 21.302 21.191 1.00 7.63 O +ATOM 467 N ASN A 60 19.993 20.884 14.049 1.00 12.38 N +ATOM 468 CA ASN A 60 19.065 21.352 12.999 1.00 13.94 C +ATOM 469 C ASN A 60 19.442 22.745 12.510 1.00 14.16 C +ATOM 470 O ASN A 60 18.571 23.610 12.289 1.00 14.26 O +ATOM 471 CB ASN A 60 17.586 21.282 13.461 1.00 19.23 C +ATOM 472 CG ASN A 60 16.576 21.258 12.315 1.00 22.65 C +ATOM 473 OD1 ASN A 60 15.440 21.819 12.378 1.00 25.45 O +ATOM 474 ND2 ASN A 60 16.924 20.586 11.216 1.00 24.09 N +ATOM 475 N ILE A 61 20.717 22.964 12.260 1.00 11.08 N +ATOM 476 CA ILE A 61 21.184 24.263 11.690 1.00 11.78 C +ATOM 477 C ILE A 61 21.110 24.111 10.173 1.00 13.74 C +ATOM 478 O ILE A 61 21.841 23.198 9.686 1.00 14.60 O +ATOM 479 CB ILE A 61 22.650 24.516 12.172 1.00 11.80 C +ATOM 480 CG1 ILE A 61 22.662 24.819 13.699 1.00 11.56 C +ATOM 481 CG2 ILE A 61 23.376 25.645 11.409 1.00 13.29 C +ATOM 482 CD1 ILE A 61 24.123 24.981 14.195 1.00 11.42 C +ATOM 483 N GLN A 62 20.291 24.875 9.507 1.00 13.97 N +ATOM 484 CA GLN A 62 20.081 24.773 8.033 1.00 15.52 C +ATOM 485 C GLN A 62 20.822 25.914 7.332 1.00 13.94 C +ATOM 486 O GLN A 62 21.323 26.830 8.008 1.00 12.15 O +ATOM 487 CB GLN A 62 18.599 24.736 7.727 1.00 19.53 C +ATOM 488 CG GLN A 62 17.819 23.434 7.900 1.00 26.38 C +ATOM 489 CD GLN A 62 16.509 23.529 7.116 1.00 30.61 C +ATOM 490 OE1 GLN A 62 15.446 22.980 7.433 1.00 33.23 O +ATOM 491 NE2 GLN A 62 16.539 24.293 6.009 1.00 32.71 N +ATOM 492 N LYS A 63 20.924 25.862 6.006 1.00 11.73 N +ATOM 493 CA LYS A 63 21.656 26.847 5.240 1.00 11.97 C +ATOM 494 C LYS A 63 21.127 28.240 5.574 1.00 10.41 C +ATOM 495 O LYS A 63 19.958 28.465 5.842 1.00 9.59 O +ATOM 496 CB LYS A 63 21.631 26.642 3.731 1.00 13.73 C +ATOM 497 CG LYS A 63 20.210 26.423 3.175 1.00 16.98 C +ATOM 498 CD LYS A 63 20.268 26.589 1.656 1.00 20.19 C +ATOM 499 CE LYS A 63 19.202 25.857 0.891 1.00 23.42 C +ATOM 500 NZ LYS A 63 17.884 26.544 1.075 1.00 25.97 N +ATOM 501 N GLU A 64 22.099 29.163 5.605 1.00 10.04 N +ATOM 502 CA GLU A 64 21.907 30.563 5.881 1.00 10.94 C +ATOM 503 C GLU A 64 21.466 30.953 7.261 1.00 9.74 C +ATOM 504 O GLU A 64 21.066 32.112 7.533 1.00 9.42 O +ATOM 505 CB GLU A 64 21.023 31.223 4.784 1.00 18.31 C +ATOM 506 CG GLU A 64 21.861 31.342 3.474 1.00 24.16 C +ATOM 507 CD GLU A 64 21.156 30.726 2.311 1.00 29.00 C +ATOM 508 OE1 GLU A 64 19.942 30.793 2.170 1.00 31.72 O +ATOM 509 OE2 GLU A 64 21.954 30.152 1.535 1.00 32.61 O +ATOM 510 N SER A 65 21.674 30.034 8.191 1.00 6.85 N +ATOM 511 CA SER A 65 21.419 30.253 9.620 1.00 6.90 C +ATOM 512 C SER A 65 22.504 31.228 10.136 1.00 4.72 C +ATOM 513 O SER A 65 23.579 31.321 9.554 1.00 3.91 O +ATOM 514 CB SER A 65 21.637 28.923 10.353 1.00 7.28 C +ATOM 515 OG SER A 65 20.544 28.047 10.059 1.00 10.56 O +ATOM 516 N THR A 66 22.241 31.873 11.241 1.00 4.48 N +ATOM 517 CA THR A 66 23.212 32.762 11.891 1.00 3.80 C +ATOM 518 C THR A 66 23.509 32.224 13.290 1.00 4.60 C +ATOM 519 O THR A 66 22.544 31.942 14.034 1.00 5.33 O +ATOM 520 CB THR A 66 22.699 34.267 11.985 1.00 2.85 C +ATOM 521 OG1 THR A 66 22.495 34.690 10.589 1.00 2.15 O +ATOM 522 CG2 THR A 66 23.727 35.131 12.722 1.00 3.40 C +ATOM 523 N LEU A 67 24.790 32.021 13.618 1.00 4.17 N +ATOM 524 CA LEU A 67 25.149 31.609 14.980 1.00 3.85 C +ATOM 525 C LEU A 67 25.698 32.876 15.669 1.00 3.80 C +ATOM 526 O LEU A 67 26.158 33.730 14.894 1.00 5.54 O +ATOM 527 CB LEU A 67 26.310 30.594 14.967 1.00 7.18 C +ATOM 528 CG LEU A 67 26.290 29.480 13.960 1.00 9.67 C +ATOM 529 CD1 LEU A 67 27.393 28.442 14.229 1.00 8.12 C +ATOM 530 CD2 LEU A 67 24.942 28.807 13.952 1.00 11.66 C +ATOM 531 N HIS A 68 25.621 32.945 16.950 1.00 2.94 N +ATOM 532 CA HIS A 68 26.179 34.127 17.650 1.00 4.17 C +ATOM 533 C HIS A 68 27.475 33.651 18.304 1.00 5.32 C +ATOM 534 O HIS A 68 27.507 32.587 18.958 1.00 7.70 O +ATOM 535 CB HIS A 68 25.214 34.565 18.780 1.00 5.57 C +ATOM 536 CG HIS A 68 23.978 35.121 18.126 1.00 9.95 C +ATOM 537 ND1 HIS A 68 23.853 36.432 17.781 1.00 13.74 N +ATOM 538 CD2 HIS A 68 22.824 34.514 17.782 1.00 12.79 C +ATOM 539 CE1 HIS A 68 22.674 36.627 17.200 1.00 14.75 C +ATOM 540 NE2 HIS A 68 22.045 35.455 17.173 1.00 16.30 N +ATOM 541 N LEU A 69 28.525 34.447 18.189 1.00 5.29 N +ATOM 542 CA LEU A 69 29.801 34.145 18.829 1.00 3.97 C +ATOM 543 C LEU A 69 30.052 35.042 20.004 1.00 5.07 C +ATOM 544 O LEU A 69 30.105 36.305 19.788 1.00 4.34 O +ATOM 545 CB LEU A 69 30.925 34.304 17.753 1.00 6.08 C +ATOM 546 CG LEU A 69 32.345 34.183 18.358 1.00 7.37 C +ATOM 547 CD1 LEU A 69 32.555 32.783 18.870 1.00 6.87 C +ATOM 548 CD2 LEU A 69 33.361 34.491 17.245 1.00 9.96 C +ATOM 549 N VAL A 70 30.124 34.533 21.191 1.00 4.29 N +ATOM 550 CA VAL A 70 30.479 35.369 22.374 1.00 6.26 C +ATOM 551 C VAL A 70 31.901 34.910 22.728 1.00 9.22 C +ATOM 552 O VAL A 70 32.190 33.696 22.635 1.00 9.36 O +ATOM 553 CB VAL A 70 29.472 35.181 23.498 1.00 8.69 C +ATOM 554 CG1 VAL A 70 29.821 35.957 24.765 1.00 9.76 C +ATOM 555 CG2 VAL A 70 28.049 35.454 23.071 1.00 8.54 C +ATOM 556 N LEU A 71 32.763 35.831 23.090 1.00 12.71 N +ATOM 557 CA LEU A 71 34.145 35.472 23.481 1.00 16.06 C +ATOM 558 C LEU A 71 34.239 35.353 24.979 1.00 18.09 C +ATOM 559 O LEU A 71 33.707 36.197 25.728 1.00 19.26 O +ATOM 560 CB LEU A 71 35.114 36.564 22.907 1.00 17.10 C +ATOM 561 CG LEU A 71 35.926 35.979 21.737 1.00 19.37 C +ATOM 562 CD1 LEU A 71 35.003 35.084 20.920 1.00 17.51 C +ATOM 563 CD2 LEU A 71 36.533 37.087 20.917 1.00 19.57 C +ATOM 564 N ARG A 72 34.930 34.384 25.451 1.00 21.47 N +ATOM 565 CA ARG A 72 35.161 34.174 26.896 1.00 25.83 C +ATOM 566 C ARG A 72 36.671 34.296 27.089 1.00 27.74 C +ATOM 567 O ARG A 72 37.305 33.233 26.795 1.00 30.65 O +ATOM 568 CB ARG A 72 34.717 32.760 27.286 1.00 28.49 C +ATOM 569 CG ARG A 72 35.752 32.054 28.160 1.00 31.79 C +ATOM 570 CD ARG A 72 35.612 30.577 28.044 1.00 34.05 C +ATOM 571 NE ARG A 72 35.040 30.252 26.730 1.00 35.08 N +ATOM 572 CZ ARG A 72 34.338 29.103 26.650 1.00 34.67 C +ATOM 573 NH1 ARG A 72 34.110 28.437 27.768 1.00 35.02 N +ATOM 574 NH2 ARG A 72 34.014 28.657 25.457 1.00 34.97 N +ATOM 575 N LEU A 73 37.197 35.397 27.513 0.45 28.93 N +ATOM 576 CA LEU A 73 38.668 35.502 27.680 0.45 30.76 C +ATOM 577 C LEU A 73 39.076 34.931 29.031 0.45 32.18 C +ATOM 578 O LEU A 73 38.297 34.946 29.996 0.45 32.31 O +ATOM 579 CB LEU A 73 39.080 36.941 27.406 0.45 30.53 C +ATOM 580 CG LEU A 73 39.502 37.340 26.002 0.45 30.16 C +ATOM 581 CD1 LEU A 73 38.684 36.647 24.923 0.45 29.57 C +ATOM 582 CD2 LEU A 73 39.337 38.854 25.862 0.45 29.11 C +ATOM 583 N ARG A 74 40.294 34.412 29.045 0.45 33.82 N +ATOM 584 CA ARG A 74 40.873 33.802 30.253 0.45 35.33 C +ATOM 585 C ARG A 74 41.765 34.829 30.944 0.45 36.22 C +ATOM 586 O ARG A 74 42.945 34.994 30.583 0.45 36.70 O +ATOM 587 CB ARG A 74 41.651 32.529 29.923 0.45 36.91 C +ATOM 588 CG ARG A 74 41.608 31.444 30.989 0.45 38.62 C +ATOM 589 CD ARG A 74 41.896 30.080 30.456 0.45 39.75 C +ATOM 590 NE ARG A 74 43.311 29.735 30.563 0.45 41.13 N +ATOM 591 CZ ARG A 74 44.174 29.905 29.554 0.45 41.91 C +ATOM 592 NH1 ARG A 74 43.754 30.312 28.356 0.45 42.75 N +ATOM 593 NH2 ARG A 74 45.477 29.726 29.763 0.45 41.93 N +ATOM 594 N GLY A 75 41.165 35.531 31.898 0.25 36.31 N +ATOM 595 CA GLY A 75 41.845 36.550 32.686 0.25 36.07 C +ATOM 596 C GLY A 75 41.251 37.941 32.588 0.25 36.16 C +ATOM 597 O GLY A 75 41.102 38.523 31.500 0.25 36.26 O +ATOM 598 N GLY A 76 40.946 38.472 33.757 0.25 36.05 N +ATOM 599 CA GLY A 76 40.373 39.813 33.944 0.25 36.19 C +ATOM 600 C GLY A 76 40.031 39.992 35.432 0.25 36.20 C +ATOM 601 O GLY A 76 38.933 40.525 35.687 0.25 36.13 O +ATOM 602 OXT GLY A 76 40.862 39.575 36.251 0.25 36.27 O +TER 603 GLY A 76 +HETATM 604 O HOH A 77 45.747 30.081 19.708 1.00 12.43 O +HETATM 605 O HOH A 78 19.168 31.868 17.050 1.00 12.65 O +HETATM 606 O HOH A 79 32.010 38.387 19.636 1.00 12.83 O +HETATM 607 O HOH A 80 42.084 27.361 21.953 1.00 22.27 O +HETATM 608 O HOH A 81 21.314 20.644 8.719 1.00 18.33 O +HETATM 609 O HOH A 82 31.965 38.637 3.699 1.00 31.69 O +HETATM 610 O HOH A 83 27.707 15.908 4.653 1.00 20.30 O +HETATM 611 O HOH A 84 19.969 32.720 14.769 1.00 10.14 O +HETATM 612 O HOH A 85 29.847 13.577 10.864 1.00 29.65 O +HETATM 613 O HOH A 86 23.893 27.864 1.501 1.00 23.48 O +HETATM 614 O HOH A 87 19.638 23.312 4.775 1.00 18.40 O +HETATM 615 O HOH A 88 34.628 29.369 4.779 1.00 26.17 O +HETATM 616 O HOH A 89 42.240 24.744 25.707 1.00 31.34 O +HETATM 617 O HOH A 90 30.290 42.500 8.820 1.00 16.49 O +HETATM 618 O HOH A 91 24.512 39.162 10.841 1.00 13.14 O +HETATM 619 O HOH A 92 26.557 43.450 19.940 1.00 19.38 O +HETATM 620 O HOH A 93 42.535 22.385 13.872 1.00 29.35 O +HETATM 621 O HOH A 94 42.440 26.381 12.686 1.00 29.46 O +HETATM 622 O HOH A 95 22.651 14.457 13.085 1.00 22.07 O +HETATM 623 O HOH A 96 35.325 26.551 23.202 1.00 15.20 O +HETATM 624 O HOH A 97 23.629 20.940 3.146 1.00 15.45 O +HETATM 625 O HOH A 98 25.928 21.774 2.325 1.00 13.70 O +HETATM 626 O HOH A 99 33.388 21.973 5.659 1.00 24.89 O +HETATM 627 O HOH A 100 18.326 23.911 17.697 1.00 24.10 O +HETATM 628 O HOH A 101 18.160 27.072 10.662 1.00 20.76 O +HETATM 629 O HOH A 102 34.746 17.167 18.219 1.00 32.86 O +HETATM 630 O HOH A 103 19.801 32.364 20.210 1.00 21.09 O +HETATM 631 O HOH A 104 30.285 26.829 22.191 1.00 8.56 O +HETATM 632 O HOH A 105 44.612 32.306 16.961 1.00 7.69 O +HETATM 633 O HOH A 106 16.287 25.999 13.142 0.78 28.90 O +HETATM 634 O HOH A 107 27.101 42.135 15.494 0.51 23.36 O +HETATM 635 O HOH A 108 37.209 23.795 21.367 0.74 27.88 O +HETATM 636 O HOH A 109 19.582 32.034 -0.685 0.49 22.24 O +HETATM 637 O HOH A 110 28.824 25.094 0.886 0.77 36.99 O +HETATM 638 O HOH A 111 25.146 19.162 25.323 0.87 36.70 O +HETATM 639 O HOH A 112 20.747 37.769 14.674 0.85 29.64 O +HETATM 640 O HOH A 113 16.035 17.841 8.765 0.61 23.89 O +HETATM 641 O HOH A 114 35.712 46.814 12.926 0.48 27.11 O +HETATM 642 O HOH A 115 15.570 27.475 7.482 0.51 24.18 O +HETATM 643 O HOH A 116 33.447 21.075 2.918 0.59 26.03 O +HETATM 644 O HOH A 117 41.116 39.021 13.061 0.63 22.39 O +HETATM 645 O HOH A 118 32.346 13.689 18.912 0.48 24.09 O +HETATM 646 O HOH A 119 31.197 13.048 7.920 0.71 29.54 O +HETATM 647 O HOH A 120 42.853 39.375 29.308 0.64 46.90 O +HETATM 648 O HOH A 121 39.646 23.959 9.699 0.41 18.25 O +HETATM 649 O HOH A 122 34.405 45.181 13.420 0.87 26.13 O +HETATM 650 O HOH A 123 26.517 24.300 27.592 0.41 21.02 O +HETATM 651 O HOH A 124 40.740 38.734 9.602 0.45 16.60 O +HETATM 652 O HOH A 125 31.494 18.276 23.170 0.67 26.53 O +HETATM 653 O HOH A 126 37.752 30.947 1.059 0.87 32.52 O +HETATM 654 O HOH A 127 31.771 16.941 7.511 0.64 15.94 O +HETATM 655 O HOH A 128 41.628 24.537 10.145 0.57 22.53 O +HETATM 656 O HOH A 129 28.988 22.175 -1.744 0.56 29.32 O +HETATM 657 O HOH A 130 14.882 16.539 10.692 0.53 24.82 O +HETATM 658 O HOH A 131 32.589 40.385 7.523 0.36 26.01 O +HETATM 659 O HOH A 132 38.363 30.369 5.579 0.49 35.45 O +HETATM 660 O HOH A 133 27.841 46.062 17.589 0.81 32.15 O +HETATM 661 O HOH A 134 37.667 43.421 17.000 0.50 33.32 O +MASTER 260 0 0 2 5 0 0 6 660 1 0 6 +END diff --git a/inputs/exp_ERMS.csv b/inputs/exp_ERMS.csv new file mode 100644 index 00000000000..89c2d94835d --- /dev/null +++ b/inputs/exp_ERMS.csv @@ -0,0 +1,21 @@ +0 1 0 +45 1 0 +90 1 0 +135 0.988414 0.011586 +180 0.957891 0.042109 +225 0.903741 0.096259 +270 0.773155 0.226845 +315 0.607057 0.392943 +360 0.338749 0.661251 +405 0.200907 0.799093 +450 0.123857 0.876143 +495 0.07918 0.92082 +540 0.063465 0.936535 +585 0.045598 0.954402 +630 0.041745 0.958255 +675 0.030882 0.969118 +720 0.027197 0.972803 +765 0.021356 0.978644 +810 0.015356 0.984644 +855 0.011011 0.988989 +900 0.004764 0.995236 diff --git a/inputs/test_ERMS.csv b/inputs/test_ERMS.csv new file mode 100644 index 00000000000..a3b7266f818 --- /dev/null +++ b/inputs/test_ERMS.csv @@ -0,0 +1,21 @@ +0 1 0 +45 0.05 0.95 +90 0.041 0.959 +135 0.02 0.98 +180 0.01 0.99 +225 0.011 0.989 +270 0.007 0.993 +315 0.004 0.996 +360 0.003 0.997 +405 0 1 +450 0 1 +495 0 1 +540 0 1 +585 0 1 +630 0 1 +675 0 1 +720 0 1 +765 0 1 +810 0 1 +855 0 1 +900 0 1 diff --git a/source/build_sid_erms_app_debug.sh b/source/build_sid_erms_app_debug.sh new file mode 100755 index 00000000000..51e96f77afa --- /dev/null +++ b/source/build_sid_erms_app_debug.sh @@ -0,0 +1 @@ +g++ -o build/src/debug/linux/4.18/64/x86/gcc/8/default/apps/pilot/robert_bolz/sid_erms.o -c -std=c++0x -ffor-scope -isystem external/boost_submod/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -isystem external/libxml2/include -isystem external/rdkit -pipe -Wall -Wextra -pedantic -Werror -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O0 -g -ggdb -ffloat-store -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_MATH_FUNCTIONS -DBOOST_DISABLE_THREADS -DPTR_STD -D_GLIBCXX_DEBUG -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/8 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux src/apps/pilot/robert_bolz/sid_erms.cc && g++ -o build/src/debug/linux/4.18/64/x86/gcc/8/default/sid_erms.default.linuxgccdebug -Wl,--disable-new-dtags -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/src/debug/linux/4.18/64/x86/gcc/8/default -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/external/debug/linux/4.18/64/x86/gcc/8/default -Wl,-rpath=\$ORIGIN -Wl,-rpath=\$ORIGIN/../lib build/src/debug/linux/4.18/64/x86/gcc/8/default/apps/pilot/robert_bolz/sid_erms.o -Lexternal/lib -Lbuild/src/debug/linux/4.18/64/x86/gcc/8/default -Lsrc -Lbuild/external/debug/linux/4.18/64/x86/gcc/8/default -Lexternal -L/usr/lib -L/usr/local/lib -ldevel -lprotocols.8 -lprotocols.7 -lprotocols_e.6 -lprotocols_d.6 -lprotocols_c.6 -lprotocols_b.6 -lprotocols_a.6 -lprotocols_h.5 -lprotocols_g.5 -lprotocols_f.5 -lprotocols_e.5 -lprotocols_d.5 -lprotocols_c.5 -lprotocols_b.5 -lprotocols_a.5 -lprotocols.4 -lprotocols.3 -lprotocols_b.2 -lprotocols_a.2 -lprotocols.1 -lcore.6 -lcore.5 -lcore.4 -lcore.3 -lcore.2 -lcore.1 -lbasic -lnumeric -lutility -lObjexxFCL -lz -lcppdb -lsqlite3 -lz -lzlib -lcppdb -lsqlite3 -lcifparse -lxml2 -lzmq -lrdkit -lbcl -lcmaes diff --git a/source/src/apps/pilot/robert_bolz/sid_erms.cc b/source/src/apps/pilot/robert_bolz/sid_erms.cc new file mode 100644 index 00000000000..6236ba75726 --- /dev/null +++ b/source/src/apps/pilot/robert_bolz/sid_erms.cc @@ -0,0 +1,60 @@ +// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*- +// vi: set ts=2 noet: +// +// (c) Copyright Rosetta Commons Member Institutions. +// (c) This file is part of the Rosetta software suite and is made available under license. +// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +// (c) For more information, see http://www.rosettacommons.org. Questions about this can be +// (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +//local options +basic::options::StringOptionKey const expERMS( "expERMS" ); +basic::options::StringOptionKey const predERMS( "predERMS" ); + +int main( int argc, char ** argv ) { + basic::options::option.add( expERMS, "Experimental ERMS from SID" ).def(""); + basic::options::option.add( predERMS, "predicted ERMS from SID" ).def(""); + devel::init( argc, argv ); + utility::vector1< std::string > filenames = basic::options::option[ basic::options::OptionKeys::in::file::s ].value(); + if ( filenames.size() > 0 ) { + std::cout << "You entered: " << filenames[ 1 ] << " as the PDB file to be read" << std::endl; + } else { + std::cout << "You didn’t provide a PDB file with the -in::file::s option" << std::endl; + return 1; + } + + core::pose::PoseOP mypose = core::import_pose::pose_from_file( filenames[1] ); + + core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); + + core::Real score = sfxn->score( *mypose ); + std::cout << "Score is: " << score << std::endl; + + + std::string exp_ERMS = basic::options::option[ expERMS ].value(); + std::string pred_ERMS = basic::options::option[ predERMS ].value(); + //std::istringstream ExpERMS; //= utility::io::izstream::open(exp_ERMS) + //std::istringstream PredERMS; //= utility::io::izstream::open(pred_ERMS) + std::string ExpERMS; + std::string PredERMS; + std::fstream(exp_ERMS, std::ios::in ) >> ExpERMS; + std::fstream(pred_ERMS, std::ios::in ) >> PredERMS; + std::cout << "exp ERMS is: " << ExpERMS << std::endl; + std::cout << "pred ERMS is: " << PredERMS << std::endl; + + return 0; +} \ No newline at end of file diff --git a/source/src/pilot_apps.src.settings.all b/source/src/pilot_apps.src.settings.all index 2d6e47bc926..cb8fdd117ea 100644 --- a/source/src/pilot_apps.src.settings.all +++ b/source/src/pilot_apps.src.settings.all @@ -873,6 +873,9 @@ sources = { "ligand_rpkmin_jd1", # /* Old, jd1 version of ligand_rpkmin, in case someone really needs it. */ "ligand_dock_jd1", # /* Old, jd1 version of ligand_dock, in case someone really needs it. */ ], + "pilot/robert_bolz" : [ + "sid_erms", + ], "pilot/ronj" : [ #"surface_optE_parallel", #"monomer_protocols", diff --git a/source/test_sid_erms_app_debug.sh b/source/test_sid_erms_app_debug.sh new file mode 100755 index 00000000000..74f6794d67b --- /dev/null +++ b/source/test_sid_erms_app_debug.sh @@ -0,0 +1 @@ +./bin/sid_erms.default.linuxgccdebug -in:file:s ../inputs/1UBQ.pdb -expERMS ../inputs/exp_ERMS.csv -predERMS ../inputs/test_ERMS.csv From 14ac8b4b9e8498f33fcfb68f8546a2069ba5fd94 Mon Sep 17 00:00:00 2001 From: "bolz.13" Date: Mon, 13 Jan 2025 13:03:19 -0500 Subject: [PATCH 2/7] added SID_ERMS_Rescore app to apps analysis, as well as a directory with inputs for debugging --- inputs/1KTN | 7435 +++++++++++++++++ inputs/1KTN.pdb | 4766 +++++++++++ inputs/1UBQ.pdb | 970 --- inputs/C2.sym | 2 + inputs/inputs/1VGT.pdb | 3870 +++++++++ inputs/inputs/1VGX.pdb | 3870 +++++++++ inputs/inputs/in_list | 2 + inputs/test_output.out | 3 + source/build_sid_erms_app_debug.sh | 2 +- source/src/apps.src.settings | 1 + .../pilot/robert_bolz/SID_ERMS_Rescore.cc | 673 ++ source/src/apps/pilot/robert_bolz/sid_erms.cc | 60 - .../apps/public/analysis/SID_ERMS_Rescore.cc | 673 ++ source/src/pilot_apps.src.settings.all | 2 +- source/test_sid_erms_app_debug.sh | 8 +- 15 files changed, 21304 insertions(+), 1033 deletions(-) create mode 100644 inputs/1KTN create mode 100644 inputs/1KTN.pdb delete mode 100644 inputs/1UBQ.pdb create mode 100644 inputs/C2.sym create mode 100644 inputs/inputs/1VGT.pdb create mode 100644 inputs/inputs/1VGX.pdb create mode 100644 inputs/inputs/in_list create mode 100644 inputs/test_output.out create mode 100644 source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc delete mode 100644 source/src/apps/pilot/robert_bolz/sid_erms.cc create mode 100644 source/src/apps/public/analysis/SID_ERMS_Rescore.cc diff --git a/inputs/1KTN b/inputs/1KTN new file mode 100644 index 00000000000..c7cf77a03e2 --- /dev/null +++ b/inputs/1KTN @@ -0,0 +1,7435 @@ +data_1KTN +# +_entry.id 1KTN +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.386 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1KTN pdb_00001ktn 10.2210/pdb1ktn/pdb +RCSB RCSB015332 ? ? +WWPDB D_1000015332 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2002-08-14 +2 'Structure model' 1 1 2008-04-27 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-11 +5 'Structure model' 1 4 2024-02-14 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Refinement description' +4 5 'Structure model' 'Data collection' +5 5 'Structure model' 'Database references' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' software +2 5 'Structure model' chem_comp_atom +3 5 'Structure model' chem_comp_bond +4 5 'Structure model' database_2 +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 4 'Structure model' '_software.name' +2 5 'Structure model' '_database_2.pdbx_DOI' +3 5 'Structure model' '_database_2.pdbx_database_accession' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1KTN +_pdbx_database_status.recvd_initial_deposition_date 2002-01-16 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.SG_entry Y +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.status_code_nmr_data ? +# +_pdbx_database_related.db_name TargetDB +_pdbx_database_related.db_id APC077 +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Zhang, R.' 1 +'Joachimiak, A.' 2 +'Edwards, A.' 3 +'Skarina, T.' 4 +'Evdokimova, E.' 5 +'Savchenko, A.' 6 +'Midwest Center for Structural Genomics (MCSG)' 7 +# +_citation.id primary +_citation.title +;The 1.5A crystal structure of +2-deoxyribose-5-phosphate aldlase +; +_citation.journal_abbrev 'To be Published' +_citation.journal_volume ? +_citation.page_first ? +_citation.page_last ? +_citation.year ? +_citation.journal_id_ASTM ? +_citation.country ? +_citation.journal_id_ISSN ? +_citation.journal_id_CSD 0353 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed ? +_citation.pdbx_database_id_DOI ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Zhang, R.' 1 ? +primary 'Joachimiak, A.' 2 ? +primary 'Edwards, A.' 3 ? +primary 'Skarina, T.' 4 ? +primary 'Evdokimova, E.' 5 ? +primary 'Savchenko, A.' 6 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man '2-deoxyribose-5-phosphate aldolase' 26914.955 2 4.1.2.4 ? ? ? +2 water nat water 18.015 631 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTLKEQGTPEIRIATVTNFPHGN +DDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIK +AGADFIKTSTGKVAVNATPESARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL +LASLLKALGH +; +_entity_poly.pdbx_seq_one_letter_code_can +;MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTLKEQGTPEIRIATVTNFPHGN +DDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIK +AGADFIKTSTGKVAVNATPESARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL +LASLLKALGH +; +_entity_poly.pdbx_strand_id A,B +_entity_poly.pdbx_target_identifier APC077 +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 THR n +1 3 ASP n +1 4 LEU n +1 5 LYS n +1 6 ALA n +1 7 SER n +1 8 SER n +1 9 LEU n +1 10 ARG n +1 11 ALA n +1 12 LEU n +1 13 LYS n +1 14 LEU n +1 15 MET n +1 16 ASP n +1 17 LEU n +1 18 THR n +1 19 THR n +1 20 LEU n +1 21 ASN n +1 22 ASP n +1 23 ASP n +1 24 ASP n +1 25 THR n +1 26 ASP n +1 27 GLU n +1 28 LYS n +1 29 VAL n +1 30 ILE n +1 31 ALA n +1 32 LEU n +1 33 CYS n +1 34 HIS n +1 35 GLN n +1 36 ALA n +1 37 LYS n +1 38 THR n +1 39 PRO n +1 40 VAL n +1 41 GLY n +1 42 ASN n +1 43 THR n +1 44 ALA n +1 45 ALA n +1 46 ILE n +1 47 CYS n +1 48 ILE n +1 49 TYR n +1 50 PRO n +1 51 ARG n +1 52 PHE n +1 53 ILE n +1 54 PRO n +1 55 ILE n +1 56 ALA n +1 57 ARG n +1 58 LYS n +1 59 THR n +1 60 LEU n +1 61 LYS n +1 62 GLU n +1 63 GLN n +1 64 GLY n +1 65 THR n +1 66 PRO n +1 67 GLU n +1 68 ILE n +1 69 ARG n +1 70 ILE n +1 71 ALA n +1 72 THR n +1 73 VAL n +1 74 THR n +1 75 ASN n +1 76 PHE n +1 77 PRO n +1 78 HIS n +1 79 GLY n +1 80 ASN n +1 81 ASP n +1 82 ASP n +1 83 ILE n +1 84 ASP n +1 85 ILE n +1 86 ALA n +1 87 LEU n +1 88 ALA n +1 89 GLU n +1 90 THR n +1 91 ARG n +1 92 ALA n +1 93 ALA n +1 94 ILE n +1 95 ALA n +1 96 TYR n +1 97 GLY n +1 98 ALA n +1 99 ASP n +1 100 GLU n +1 101 VAL n +1 102 ASP n +1 103 VAL n +1 104 VAL n +1 105 PHE n +1 106 PRO n +1 107 TYR n +1 108 ARG n +1 109 ALA n +1 110 LEU n +1 111 MET n +1 112 ALA n +1 113 GLY n +1 114 ASN n +1 115 GLU n +1 116 GLN n +1 117 VAL n +1 118 GLY n +1 119 PHE n +1 120 ASP n +1 121 LEU n +1 122 VAL n +1 123 LYS n +1 124 ALA n +1 125 CYS n +1 126 LYS n +1 127 GLU n +1 128 ALA n +1 129 CYS n +1 130 ALA n +1 131 ALA n +1 132 ALA n +1 133 ASN n +1 134 VAL n +1 135 LEU n +1 136 LEU n +1 137 LYS n +1 138 VAL n +1 139 ILE n +1 140 ILE n +1 141 GLU n +1 142 THR n +1 143 GLY n +1 144 GLU n +1 145 LEU n +1 146 LYS n +1 147 ASP n +1 148 GLU n +1 149 ALA n +1 150 LEU n +1 151 ILE n +1 152 ARG n +1 153 LYS n +1 154 ALA n +1 155 SER n +1 156 GLU n +1 157 ILE n +1 158 SER n +1 159 ILE n +1 160 LYS n +1 161 ALA n +1 162 GLY n +1 163 ALA n +1 164 ASP n +1 165 PHE n +1 166 ILE n +1 167 LYS n +1 168 THR n +1 169 SER n +1 170 THR n +1 171 GLY n +1 172 LYS n +1 173 VAL n +1 174 ALA n +1 175 VAL n +1 176 ASN n +1 177 ALA n +1 178 THR n +1 179 PRO n +1 180 GLU n +1 181 SER n +1 182 ALA n +1 183 ARG n +1 184 ILE n +1 185 MET n +1 186 MET n +1 187 GLU n +1 188 VAL n +1 189 ILE n +1 190 ARG n +1 191 ASP n +1 192 MET n +1 193 GLY n +1 194 VAL n +1 195 GLU n +1 196 LYS n +1 197 THR n +1 198 VAL n +1 199 GLY n +1 200 PHE n +1 201 LYS n +1 202 PRO n +1 203 ALA n +1 204 GLY n +1 205 GLY n +1 206 VAL n +1 207 ARG n +1 208 THR n +1 209 ALA n +1 210 GLU n +1 211 ASP n +1 212 ALA n +1 213 GLN n +1 214 LYS n +1 215 TYR n +1 216 LEU n +1 217 ALA n +1 218 ILE n +1 219 ALA n +1 220 ASP n +1 221 GLU n +1 222 LEU n +1 223 PHE n +1 224 GLY n +1 225 ALA n +1 226 ASP n +1 227 TRP n +1 228 ALA n +1 229 ASP n +1 230 ALA n +1 231 ARG n +1 232 HIS n +1 233 TYR n +1 234 ARG n +1 235 PHE n +1 236 GLY n +1 237 ALA n +1 238 SER n +1 239 SER n +1 240 LEU n +1 241 LEU n +1 242 ALA n +1 243 SER n +1 244 LEU n +1 245 LEU n +1 246 LYS n +1 247 ALA n +1 248 LEU n +1 249 GLY n +1 250 HIS n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus Escherichia +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 562 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species 'Escherichia coli' +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain 'BL21(DE3)' +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type PLASMID +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details 'T7 promoter system in BL21(DE3) E. coli strain' +_entity_src_gen.pdbx_description ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 1 MET MET A . n +A 1 2 THR 2 2 2 THR THR A . n +A 1 3 ASP 3 3 3 ASP ASP A . n +A 1 4 LEU 4 4 4 LEU LEU A . n +A 1 5 LYS 5 5 5 LYS LYS A . n +A 1 6 ALA 6 6 6 ALA ALA A . n +A 1 7 SER 7 7 7 SER SER A . n +A 1 8 SER 8 8 8 SER SER A . n +A 1 9 LEU 9 9 9 LEU LEU A . n +A 1 10 ARG 10 10 10 ARG ARG A . n +A 1 11 ALA 11 11 11 ALA ALA A . n +A 1 12 LEU 12 12 12 LEU LEU A . n +A 1 13 LYS 13 13 13 LYS LYS A . n +A 1 14 LEU 14 14 14 LEU LEU A . n +A 1 15 MET 15 15 15 MET MET A . n +A 1 16 ASP 16 16 16 ASP ASP A . n +A 1 17 LEU 17 17 17 LEU LEU A . n +A 1 18 THR 18 18 18 THR THR A . n +A 1 19 THR 19 19 19 THR THR A . n +A 1 20 LEU 20 20 20 LEU LEU A . n +A 1 21 ASN 21 21 21 ASN ASN A . n +A 1 22 ASP 22 22 22 ASP ASP A . n +A 1 23 ASP 23 23 23 ASP ASP A . n +A 1 24 ASP 24 24 24 ASP ASP A . n +A 1 25 THR 25 25 25 THR THR A . n +A 1 26 ASP 26 26 26 ASP ASP A . n +A 1 27 GLU 27 27 27 GLU GLU A . n +A 1 28 LYS 28 28 28 LYS LYS A . n +A 1 29 VAL 29 29 29 VAL VAL A . n +A 1 30 ILE 30 30 30 ILE ILE A . n +A 1 31 ALA 31 31 31 ALA ALA A . n +A 1 32 LEU 32 32 32 LEU LEU A . n +A 1 33 CYS 33 33 33 CYS CYS A . n +A 1 34 HIS 34 34 34 HIS HIS A . n +A 1 35 GLN 35 35 35 GLN GLN A . n +A 1 36 ALA 36 36 36 ALA ALA A . n +A 1 37 LYS 37 37 37 LYS LYS A . n +A 1 38 THR 38 38 38 THR THR A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 VAL 40 40 40 VAL VAL A . n +A 1 41 GLY 41 41 41 GLY GLY A . n +A 1 42 ASN 42 42 42 ASN ASN A . n +A 1 43 THR 43 43 43 THR THR A . n +A 1 44 ALA 44 44 44 ALA ALA A . n +A 1 45 ALA 45 45 45 ALA ALA A . n +A 1 46 ILE 46 46 46 ILE ILE A . n +A 1 47 CYS 47 47 47 CYS CYS A . n +A 1 48 ILE 48 48 48 ILE ILE A . n +A 1 49 TYR 49 49 49 TYR TYR A . n +A 1 50 PRO 50 50 50 PRO PRO A . n +A 1 51 ARG 51 51 51 ARG ARG A . n +A 1 52 PHE 52 52 52 PHE PHE A . n +A 1 53 ILE 53 53 53 ILE ILE A . n +A 1 54 PRO 54 54 54 PRO PRO A . n +A 1 55 ILE 55 55 55 ILE ILE A . n +A 1 56 ALA 56 56 56 ALA ALA A . n +A 1 57 ARG 57 57 57 ARG ARG A . n +A 1 58 LYS 58 58 58 LYS LYS A . n +A 1 59 THR 59 59 59 THR THR A . n +A 1 60 LEU 60 60 60 LEU LEU A . n +A 1 61 LYS 61 61 61 LYS LYS A . n +A 1 62 GLU 62 62 62 GLU GLU A . n +A 1 63 GLN 63 63 63 GLN GLN A . n +A 1 64 GLY 64 64 64 GLY GLY A . n +A 1 65 THR 65 65 65 THR THR A . n +A 1 66 PRO 66 66 66 PRO PRO A . n +A 1 67 GLU 67 67 67 GLU GLU A . n +A 1 68 ILE 68 68 68 ILE ILE A . n +A 1 69 ARG 69 69 69 ARG ARG A . n +A 1 70 ILE 70 70 70 ILE ILE A . n +A 1 71 ALA 71 71 71 ALA ALA A . n +A 1 72 THR 72 72 72 THR THR A . n +A 1 73 VAL 73 73 73 VAL VAL A . n +A 1 74 THR 74 74 74 THR THR A . n +A 1 75 ASN 75 75 75 ASN ASN A . n +A 1 76 PHE 76 76 76 PHE PHE A . n +A 1 77 PRO 77 77 77 PRO PRO A . n +A 1 78 HIS 78 78 78 HIS HIS A . n +A 1 79 GLY 79 79 79 GLY GLY A . n +A 1 80 ASN 80 80 80 ASN ASN A . n +A 1 81 ASP 81 81 81 ASP ASP A . n +A 1 82 ASP 82 82 82 ASP ASP A . n +A 1 83 ILE 83 83 83 ILE ILE A . n +A 1 84 ASP 84 84 84 ASP ASP A . n +A 1 85 ILE 85 85 85 ILE ILE A . n +A 1 86 ALA 86 86 86 ALA ALA A . n +A 1 87 LEU 87 87 87 LEU LEU A . n +A 1 88 ALA 88 88 88 ALA ALA A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 THR 90 90 90 THR THR A . n +A 1 91 ARG 91 91 91 ARG ARG A . n +A 1 92 ALA 92 92 92 ALA ALA A . n +A 1 93 ALA 93 93 93 ALA ALA A . n +A 1 94 ILE 94 94 94 ILE ILE A . n +A 1 95 ALA 95 95 95 ALA ALA A . n +A 1 96 TYR 96 96 96 TYR TYR A . n +A 1 97 GLY 97 97 97 GLY GLY A . n +A 1 98 ALA 98 98 98 ALA ALA A . n +A 1 99 ASP 99 99 99 ASP ASP A . n +A 1 100 GLU 100 100 100 GLU GLU A . n +A 1 101 VAL 101 101 101 VAL VAL A . n +A 1 102 ASP 102 102 102 ASP ASP A . n +A 1 103 VAL 103 103 103 VAL VAL A . n +A 1 104 VAL 104 104 104 VAL VAL A . n +A 1 105 PHE 105 105 105 PHE PHE A . n +A 1 106 PRO 106 106 106 PRO PRO A . n +A 1 107 TYR 107 107 107 TYR TYR A . n +A 1 108 ARG 108 108 108 ARG ARG A . n +A 1 109 ALA 109 109 109 ALA ALA A . n +A 1 110 LEU 110 110 110 LEU LEU A . n +A 1 111 MET 111 111 111 MET MET A . n +A 1 112 ALA 112 112 112 ALA ALA A . n +A 1 113 GLY 113 113 113 GLY GLY A . n +A 1 114 ASN 114 114 114 ASN ASN A . n +A 1 115 GLU 115 115 115 GLU GLU A . n +A 1 116 GLN 116 116 116 GLN GLN A . n +A 1 117 VAL 117 117 117 VAL VAL A . n +A 1 118 GLY 118 118 118 GLY GLY A . n +A 1 119 PHE 119 119 119 PHE PHE A . n +A 1 120 ASP 120 120 120 ASP ASP A . n +A 1 121 LEU 121 121 121 LEU LEU A . n +A 1 122 VAL 122 122 122 VAL VAL A . n +A 1 123 LYS 123 123 123 LYS LYS A . n +A 1 124 ALA 124 124 124 ALA ALA A . n +A 1 125 CYS 125 125 125 CYS CYS A . n +A 1 126 LYS 126 126 126 LYS LYS A . n +A 1 127 GLU 127 127 127 GLU GLU A . n +A 1 128 ALA 128 128 128 ALA ALA A . n +A 1 129 CYS 129 129 129 CYS CYS A . n +A 1 130 ALA 130 130 130 ALA ALA A . n +A 1 131 ALA 131 131 131 ALA ALA A . n +A 1 132 ALA 132 132 132 ALA ALA A . n +A 1 133 ASN 133 133 133 ASN ASN A . n +A 1 134 VAL 134 134 134 VAL VAL A . n +A 1 135 LEU 135 135 135 LEU LEU A . n +A 1 136 LEU 136 136 136 LEU LEU A . n +A 1 137 LYS 137 137 137 LYS LYS A . n +A 1 138 VAL 138 138 138 VAL VAL A . n +A 1 139 ILE 139 139 139 ILE ILE A . n +A 1 140 ILE 140 140 140 ILE ILE A . n +A 1 141 GLU 141 141 141 GLU GLU A . n +A 1 142 THR 142 142 142 THR THR A . n +A 1 143 GLY 143 143 143 GLY GLY A . n +A 1 144 GLU 144 144 144 GLU GLU A . n +A 1 145 LEU 145 145 145 LEU LEU A . n +A 1 146 LYS 146 146 146 LYS LYS A . n +A 1 147 ASP 147 147 147 ASP ASP A . n +A 1 148 GLU 148 148 148 GLU GLU A . n +A 1 149 ALA 149 149 149 ALA ALA A . n +A 1 150 LEU 150 150 150 LEU LEU A . n +A 1 151 ILE 151 151 151 ILE ILE A . n +A 1 152 ARG 152 152 152 ARG ARG A . n +A 1 153 LYS 153 153 153 LYS LYS A . n +A 1 154 ALA 154 154 154 ALA ALA A . n +A 1 155 SER 155 155 155 SER SER A . n +A 1 156 GLU 156 156 156 GLU GLU A . n +A 1 157 ILE 157 157 157 ILE ILE A . n +A 1 158 SER 158 158 158 SER SER A . n +A 1 159 ILE 159 159 159 ILE ILE A . n +A 1 160 LYS 160 160 160 LYS LYS A . n +A 1 161 ALA 161 161 161 ALA ALA A . n +A 1 162 GLY 162 162 162 GLY GLY A . n +A 1 163 ALA 163 163 163 ALA ALA A . n +A 1 164 ASP 164 164 164 ASP ASP A . n +A 1 165 PHE 165 165 165 PHE PHE A . n +A 1 166 ILE 166 166 166 ILE ILE A . n +A 1 167 LYS 167 167 167 LYS LYS A . n +A 1 168 THR 168 168 168 THR THR A . n +A 1 169 SER 169 169 169 SER SER A . n +A 1 170 THR 170 170 170 THR THR A . n +A 1 171 GLY 171 171 171 GLY GLY A . n +A 1 172 LYS 172 172 172 LYS LYS A . n +A 1 173 VAL 173 173 173 VAL VAL A . n +A 1 174 ALA 174 174 174 ALA ALA A . n +A 1 175 VAL 175 175 175 VAL VAL A . n +A 1 176 ASN 176 176 176 ASN ASN A . n +A 1 177 ALA 177 177 177 ALA ALA A . n +A 1 178 THR 178 178 178 THR THR A . n +A 1 179 PRO 179 179 179 PRO PRO A . n +A 1 180 GLU 180 180 180 GLU GLU A . n +A 1 181 SER 181 181 181 SER SER A . n +A 1 182 ALA 182 182 182 ALA ALA A . n +A 1 183 ARG 183 183 183 ARG ARG A . n +A 1 184 ILE 184 184 184 ILE ILE A . n +A 1 185 MET 185 185 185 MET MET A . n +A 1 186 MET 186 186 186 MET MET A . n +A 1 187 GLU 187 187 187 GLU GLU A . n +A 1 188 VAL 188 188 188 VAL VAL A . n +A 1 189 ILE 189 189 189 ILE ILE A . n +A 1 190 ARG 190 190 190 ARG ARG A . n +A 1 191 ASP 191 191 191 ASP ASP A . n +A 1 192 MET 192 192 192 MET MET A . n +A 1 193 GLY 193 193 193 GLY GLY A . n +A 1 194 VAL 194 194 194 VAL VAL A . n +A 1 195 GLU 195 195 195 GLU GLU A . n +A 1 196 LYS 196 196 196 LYS LYS A . n +A 1 197 THR 197 197 197 THR THR A . n +A 1 198 VAL 198 198 198 VAL VAL A . n +A 1 199 GLY 199 199 199 GLY GLY A . n +A 1 200 PHE 200 200 200 PHE PHE A . n +A 1 201 LYS 201 201 201 LYS LYS A . n +A 1 202 PRO 202 202 202 PRO PRO A . n +A 1 203 ALA 203 203 203 ALA ALA A . n +A 1 204 GLY 204 204 204 GLY GLY A . n +A 1 205 GLY 205 205 205 GLY GLY A . n +A 1 206 VAL 206 206 206 VAL VAL A . n +A 1 207 ARG 207 207 207 ARG ARG A . n +A 1 208 THR 208 208 208 THR THR A . n +A 1 209 ALA 209 209 209 ALA ALA A . n +A 1 210 GLU 210 210 210 GLU GLU A . n +A 1 211 ASP 211 211 211 ASP ASP A . n +A 1 212 ALA 212 212 212 ALA ALA A . n +A 1 213 GLN 213 213 213 GLN GLN A . n +A 1 214 LYS 214 214 214 LYS LYS A . n +A 1 215 TYR 215 215 215 TYR TYR A . n +A 1 216 LEU 216 216 216 LEU LEU A . n +A 1 217 ALA 217 217 217 ALA ALA A . n +A 1 218 ILE 218 218 218 ILE ILE A . n +A 1 219 ALA 219 219 219 ALA ALA A . n +A 1 220 ASP 220 220 220 ASP ASP A . n +A 1 221 GLU 221 221 221 GLU GLU A . n +A 1 222 LEU 222 222 222 LEU LEU A . n +A 1 223 PHE 223 223 223 PHE PHE A . n +A 1 224 GLY 224 224 224 GLY GLY A . n +A 1 225 ALA 225 225 225 ALA ALA A . n +A 1 226 ASP 226 226 226 ASP ASP A . n +A 1 227 TRP 227 227 227 TRP TRP A . n +A 1 228 ALA 228 228 228 ALA ALA A . n +A 1 229 ASP 229 229 229 ASP ASP A . n +A 1 230 ALA 230 230 230 ALA ALA A . n +A 1 231 ARG 231 231 231 ARG ARG A . n +A 1 232 HIS 232 232 232 HIS HIS A . n +A 1 233 TYR 233 233 233 TYR TYR A . n +A 1 234 ARG 234 234 234 ARG ARG A . n +A 1 235 PHE 235 235 235 PHE PHE A . n +A 1 236 GLY 236 236 236 GLY GLY A . n +A 1 237 ALA 237 237 237 ALA ALA A . n +A 1 238 SER 238 238 238 SER SER A . n +A 1 239 SER 239 239 239 SER SER A . n +A 1 240 LEU 240 240 240 LEU LEU A . n +A 1 241 LEU 241 241 241 LEU LEU A . n +A 1 242 ALA 242 242 242 ALA ALA A . n +A 1 243 SER 243 243 243 SER SER A . n +A 1 244 LEU 244 244 244 LEU LEU A . n +A 1 245 LEU 245 245 245 LEU LEU A . n +A 1 246 LYS 246 246 246 LYS LYS A . n +A 1 247 ALA 247 247 247 ALA ALA A . n +A 1 248 LEU 248 248 248 LEU LEU A . n +A 1 249 GLY 249 249 249 GLY GLY A . n +A 1 250 HIS 250 250 250 HIS HIS A . n +B 1 1 MET 1 1 ? ? ? B . n +B 1 2 THR 2 2 2 THR THR B . n +B 1 3 ASP 3 3 3 ASP ASP B . n +B 1 4 LEU 4 4 4 LEU LEU B . n +B 1 5 LYS 5 5 5 LYS LYS B . n +B 1 6 ALA 6 6 6 ALA ALA B . n +B 1 7 SER 7 7 7 SER SER B . n +B 1 8 SER 8 8 8 SER SER B . n +B 1 9 LEU 9 9 9 LEU LEU B . n +B 1 10 ARG 10 10 10 ARG ARG B . n +B 1 11 ALA 11 11 11 ALA ALA B . n +B 1 12 LEU 12 12 12 LEU LEU B . n +B 1 13 LYS 13 13 13 LYS LYS B . n +B 1 14 LEU 14 14 14 LEU LEU B . n +B 1 15 MET 15 15 15 MET MET B . n +B 1 16 ASP 16 16 16 ASP ASP B . n +B 1 17 LEU 17 17 17 LEU LEU B . n +B 1 18 THR 18 18 18 THR THR B . n +B 1 19 THR 19 19 19 THR THR B . n +B 1 20 LEU 20 20 20 LEU LEU B . n +B 1 21 ASN 21 21 21 ASN ASN B . n +B 1 22 ASP 22 22 22 ASP ASP B . n +B 1 23 ASP 23 23 23 ASP ASP B . n +B 1 24 ASP 24 24 24 ASP ASP B . n +B 1 25 THR 25 25 25 THR THR B . n +B 1 26 ASP 26 26 26 ASP ASP B . n +B 1 27 GLU 27 27 27 GLU GLU B . n +B 1 28 LYS 28 28 28 LYS LYS B . n +B 1 29 VAL 29 29 29 VAL VAL B . n +B 1 30 ILE 30 30 30 ILE ILE B . n +B 1 31 ALA 31 31 31 ALA ALA B . n +B 1 32 LEU 32 32 32 LEU LEU B . n +B 1 33 CYS 33 33 33 CYS CYS B . n +B 1 34 HIS 34 34 34 HIS HIS B . n +B 1 35 GLN 35 35 35 GLN GLN B . n +B 1 36 ALA 36 36 36 ALA ALA B . n +B 1 37 LYS 37 37 37 LYS LYS B . n +B 1 38 THR 38 38 38 THR THR B . n +B 1 39 PRO 39 39 39 PRO PRO B . n +B 1 40 VAL 40 40 40 VAL VAL B . n +B 1 41 GLY 41 41 41 GLY GLY B . n +B 1 42 ASN 42 42 42 ASN ASN B . n +B 1 43 THR 43 43 43 THR THR B . n +B 1 44 ALA 44 44 44 ALA ALA B . n +B 1 45 ALA 45 45 45 ALA ALA B . n +B 1 46 ILE 46 46 46 ILE ILE B . n +B 1 47 CYS 47 47 47 CYS CYS B . n +B 1 48 ILE 48 48 48 ILE ILE B . n +B 1 49 TYR 49 49 49 TYR TYR B . n +B 1 50 PRO 50 50 50 PRO PRO B . n +B 1 51 ARG 51 51 51 ARG ARG B . n +B 1 52 PHE 52 52 52 PHE PHE B . n +B 1 53 ILE 53 53 53 ILE ILE B . n +B 1 54 PRO 54 54 54 PRO PRO B . n +B 1 55 ILE 55 55 55 ILE ILE B . n +B 1 56 ALA 56 56 56 ALA ALA B . n +B 1 57 ARG 57 57 57 ARG ARG B . n +B 1 58 LYS 58 58 58 LYS LYS B . n +B 1 59 THR 59 59 59 THR THR B . n +B 1 60 LEU 60 60 60 LEU LEU B . n +B 1 61 LYS 61 61 61 LYS LYS B . n +B 1 62 GLU 62 62 62 GLU GLU B . n +B 1 63 GLN 63 63 63 GLN GLN B . n +B 1 64 GLY 64 64 64 GLY GLY B . n +B 1 65 THR 65 65 65 THR THR B . n +B 1 66 PRO 66 66 66 PRO PRO B . n +B 1 67 GLU 67 67 67 GLU GLU B . n +B 1 68 ILE 68 68 68 ILE ILE B . n +B 1 69 ARG 69 69 69 ARG ARG B . n +B 1 70 ILE 70 70 70 ILE ILE B . n +B 1 71 ALA 71 71 71 ALA ALA B . n +B 1 72 THR 72 72 72 THR THR B . n +B 1 73 VAL 73 73 73 VAL VAL B . n +B 1 74 THR 74 74 74 THR THR B . n +B 1 75 ASN 75 75 75 ASN ASN B . n +B 1 76 PHE 76 76 76 PHE PHE B . n +B 1 77 PRO 77 77 77 PRO PRO B . n +B 1 78 HIS 78 78 78 HIS HIS B . n +B 1 79 GLY 79 79 79 GLY GLY B . n +B 1 80 ASN 80 80 80 ASN ASN B . n +B 1 81 ASP 81 81 81 ASP ASP B . n +B 1 82 ASP 82 82 82 ASP ASP B . n +B 1 83 ILE 83 83 83 ILE ILE B . n +B 1 84 ASP 84 84 84 ASP ASP B . n +B 1 85 ILE 85 85 85 ILE ILE B . n +B 1 86 ALA 86 86 86 ALA ALA B . n +B 1 87 LEU 87 87 87 LEU LEU B . n +B 1 88 ALA 88 88 88 ALA ALA B . n +B 1 89 GLU 89 89 89 GLU GLU B . n +B 1 90 THR 90 90 90 THR THR B . n +B 1 91 ARG 91 91 91 ARG ARG B . n +B 1 92 ALA 92 92 92 ALA ALA B . n +B 1 93 ALA 93 93 93 ALA ALA B . n +B 1 94 ILE 94 94 94 ILE ILE B . n +B 1 95 ALA 95 95 95 ALA ALA B . n +B 1 96 TYR 96 96 96 TYR TYR B . n +B 1 97 GLY 97 97 97 GLY GLY B . n +B 1 98 ALA 98 98 98 ALA ALA B . n +B 1 99 ASP 99 99 99 ASP ASP B . n +B 1 100 GLU 100 100 100 GLU GLU B . n +B 1 101 VAL 101 101 101 VAL VAL B . n +B 1 102 ASP 102 102 102 ASP ASP B . n +B 1 103 VAL 103 103 103 VAL VAL B . n +B 1 104 VAL 104 104 104 VAL VAL B . n +B 1 105 PHE 105 105 105 PHE PHE B . n +B 1 106 PRO 106 106 106 PRO PRO B . n +B 1 107 TYR 107 107 107 TYR TYR B . n +B 1 108 ARG 108 108 108 ARG ARG B . n +B 1 109 ALA 109 109 109 ALA ALA B . n +B 1 110 LEU 110 110 110 LEU LEU B . n +B 1 111 MET 111 111 111 MET MET B . n +B 1 112 ALA 112 112 112 ALA ALA B . n +B 1 113 GLY 113 113 113 GLY GLY B . n +B 1 114 ASN 114 114 114 ASN ASN B . n +B 1 115 GLU 115 115 115 GLU GLU B . n +B 1 116 GLN 116 116 116 GLN GLN B . n +B 1 117 VAL 117 117 117 VAL VAL B . n +B 1 118 GLY 118 118 118 GLY GLY B . n +B 1 119 PHE 119 119 119 PHE PHE B . n +B 1 120 ASP 120 120 120 ASP ASP B . n +B 1 121 LEU 121 121 121 LEU LEU B . n +B 1 122 VAL 122 122 122 VAL VAL B . n +B 1 123 LYS 123 123 123 LYS LYS B . n +B 1 124 ALA 124 124 124 ALA ALA B . n +B 1 125 CYS 125 125 125 CYS CYS B . n +B 1 126 LYS 126 126 126 LYS LYS B . n +B 1 127 GLU 127 127 127 GLU GLU B . n +B 1 128 ALA 128 128 128 ALA ALA B . n +B 1 129 CYS 129 129 129 CYS CYS B . n +B 1 130 ALA 130 130 130 ALA ALA B . n +B 1 131 ALA 131 131 131 ALA ALA B . n +B 1 132 ALA 132 132 132 ALA ALA B . n +B 1 133 ASN 133 133 133 ASN ASN B . n +B 1 134 VAL 134 134 134 VAL VAL B . n +B 1 135 LEU 135 135 135 LEU LEU B . n +B 1 136 LEU 136 136 136 LEU LEU B . n +B 1 137 LYS 137 137 137 LYS LYS B . n +B 1 138 VAL 138 138 138 VAL VAL B . n +B 1 139 ILE 139 139 139 ILE ILE B . n +B 1 140 ILE 140 140 140 ILE ILE B . n +B 1 141 GLU 141 141 141 GLU GLU B . n +B 1 142 THR 142 142 142 THR THR B . n +B 1 143 GLY 143 143 143 GLY GLY B . n +B 1 144 GLU 144 144 144 GLU GLU B . n +B 1 145 LEU 145 145 145 LEU LEU B . n +B 1 146 LYS 146 146 146 LYS LYS B . n +B 1 147 ASP 147 147 147 ASP ASP B . n +B 1 148 GLU 148 148 148 GLU GLU B . n +B 1 149 ALA 149 149 149 ALA ALA B . n +B 1 150 LEU 150 150 150 LEU LEU B . n +B 1 151 ILE 151 151 151 ILE ILE B . n +B 1 152 ARG 152 152 152 ARG ARG B . n +B 1 153 LYS 153 153 153 LYS LYS B . n +B 1 154 ALA 154 154 154 ALA ALA B . n +B 1 155 SER 155 155 155 SER SER B . n +B 1 156 GLU 156 156 156 GLU GLU B . n +B 1 157 ILE 157 157 157 ILE ILE B . n +B 1 158 SER 158 158 158 SER SER B . n +B 1 159 ILE 159 159 159 ILE ILE B . n +B 1 160 LYS 160 160 160 LYS LYS B . n +B 1 161 ALA 161 161 161 ALA ALA B . n +B 1 162 GLY 162 162 162 GLY GLY B . n +B 1 163 ALA 163 163 163 ALA ALA B . n +B 1 164 ASP 164 164 164 ASP ASP B . n +B 1 165 PHE 165 165 165 PHE PHE B . n +B 1 166 ILE 166 166 166 ILE ILE B . n +B 1 167 LYS 167 167 167 LYS LYS B . n +B 1 168 THR 168 168 168 THR THR B . n +B 1 169 SER 169 169 169 SER SER B . n +B 1 170 THR 170 170 170 THR THR B . n +B 1 171 GLY 171 171 171 GLY GLY B . n +B 1 172 LYS 172 172 172 LYS LYS B . n +B 1 173 VAL 173 173 173 VAL VAL B . n +B 1 174 ALA 174 174 174 ALA ALA B . n +B 1 175 VAL 175 175 175 VAL VAL B . n +B 1 176 ASN 176 176 176 ASN ASN B . n +B 1 177 ALA 177 177 177 ALA ALA B . n +B 1 178 THR 178 178 178 THR THR B . n +B 1 179 PRO 179 179 179 PRO PRO B . n +B 1 180 GLU 180 180 180 GLU GLU B . n +B 1 181 SER 181 181 181 SER SER B . n +B 1 182 ALA 182 182 182 ALA ALA B . n +B 1 183 ARG 183 183 183 ARG ARG B . n +B 1 184 ILE 184 184 184 ILE ILE B . n +B 1 185 MET 185 185 185 MET MET B . n +B 1 186 MET 186 186 186 MET MET B . n +B 1 187 GLU 187 187 187 GLU GLU B . n +B 1 188 VAL 188 188 188 VAL VAL B . n +B 1 189 ILE 189 189 189 ILE ILE B . n +B 1 190 ARG 190 190 190 ARG ARG B . n +B 1 191 ASP 191 191 191 ASP ASP B . n +B 1 192 MET 192 192 192 MET MET B . n +B 1 193 GLY 193 193 193 GLY GLY B . n +B 1 194 VAL 194 194 194 VAL VAL B . n +B 1 195 GLU 195 195 195 GLU GLU B . n +B 1 196 LYS 196 196 196 LYS LYS B . n +B 1 197 THR 197 197 197 THR THR B . n +B 1 198 VAL 198 198 198 VAL VAL B . n +B 1 199 GLY 199 199 199 GLY GLY B . n +B 1 200 PHE 200 200 200 PHE PHE B . n +B 1 201 LYS 201 201 201 LYS LYS B . n +B 1 202 PRO 202 202 202 PRO PRO B . n +B 1 203 ALA 203 203 203 ALA ALA B . n +B 1 204 GLY 204 204 204 GLY GLY B . n +B 1 205 GLY 205 205 205 GLY GLY B . n +B 1 206 VAL 206 206 206 VAL VAL B . n +B 1 207 ARG 207 207 207 ARG ARG B . n +B 1 208 THR 208 208 208 THR THR B . n +B 1 209 ALA 209 209 209 ALA ALA B . n +B 1 210 GLU 210 210 210 GLU GLU B . n +B 1 211 ASP 211 211 211 ASP ASP B . n +B 1 212 ALA 212 212 212 ALA ALA B . n +B 1 213 GLN 213 213 213 GLN GLN B . n +B 1 214 LYS 214 214 214 LYS LYS B . n +B 1 215 TYR 215 215 215 TYR TYR B . n +B 1 216 LEU 216 216 216 LEU LEU B . n +B 1 217 ALA 217 217 217 ALA ALA B . n +B 1 218 ILE 218 218 218 ILE ILE B . n +B 1 219 ALA 219 219 219 ALA ALA B . n +B 1 220 ASP 220 220 220 ASP ASP B . n +B 1 221 GLU 221 221 221 GLU GLU B . n +B 1 222 LEU 222 222 222 LEU LEU B . n +B 1 223 PHE 223 223 223 PHE PHE B . n +B 1 224 GLY 224 224 224 GLY GLY B . n +B 1 225 ALA 225 225 225 ALA ALA B . n +B 1 226 ASP 226 226 226 ASP ASP B . n +B 1 227 TRP 227 227 227 TRP TRP B . n +B 1 228 ALA 228 228 228 ALA ALA B . n +B 1 229 ASP 229 229 229 ASP ASP B . n +B 1 230 ALA 230 230 230 ALA ALA B . n +B 1 231 ARG 231 231 231 ARG ARG B . n +B 1 232 HIS 232 232 232 HIS HIS B . n +B 1 233 TYR 233 233 233 TYR TYR B . n +B 1 234 ARG 234 234 234 ARG ARG B . n +B 1 235 PHE 235 235 235 PHE PHE B . n +B 1 236 GLY 236 236 236 GLY GLY B . n +B 1 237 ALA 237 237 237 ALA ALA B . n +B 1 238 SER 238 238 238 SER SER B . n +B 1 239 SER 239 239 239 SER SER B . n +B 1 240 LEU 240 240 240 LEU LEU B . n +B 1 241 LEU 241 241 241 LEU LEU B . n +B 1 242 ALA 242 242 242 ALA ALA B . n +B 1 243 SER 243 243 243 SER SER B . n +B 1 244 LEU 244 244 244 LEU LEU B . n +B 1 245 LEU 245 245 245 LEU LEU B . n +B 1 246 LYS 246 246 246 LYS LYS B . n +B 1 247 ALA 247 247 247 ALA ALA B . n +B 1 248 LEU 248 248 248 LEU LEU B . n +B 1 249 GLY 249 249 249 GLY GLY B . n +B 1 250 HIS 250 250 250 HIS HIS B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 2 HOH 1 401 401 HOH TIP A . +C 2 HOH 2 402 402 HOH TIP A . +C 2 HOH 3 407 407 HOH TIP A . +C 2 HOH 4 409 409 HOH TIP A . +C 2 HOH 5 410 410 HOH TIP A . +C 2 HOH 6 415 415 HOH TIP A . +C 2 HOH 7 419 419 HOH TIP A . +C 2 HOH 8 420 420 HOH TIP A . +C 2 HOH 9 421 421 HOH TIP A . +C 2 HOH 10 422 422 HOH TIP A . +C 2 HOH 11 424 424 HOH TIP A . +C 2 HOH 12 426 426 HOH TIP A . +C 2 HOH 13 427 427 HOH TIP A . +C 2 HOH 14 429 429 HOH TIP A . +C 2 HOH 15 430 430 HOH TIP A . +C 2 HOH 16 431 431 HOH TIP A . +C 2 HOH 17 434 434 HOH TIP A . +C 2 HOH 18 435 435 HOH TIP A . +C 2 HOH 19 439 439 HOH TIP A . +C 2 HOH 20 440 440 HOH TIP A . +C 2 HOH 21 443 443 HOH TIP A . +C 2 HOH 22 444 444 HOH TIP A . +C 2 HOH 23 448 448 HOH TIP A . +C 2 HOH 24 449 449 HOH TIP A . +C 2 HOH 25 450 450 HOH TIP A . +C 2 HOH 26 451 451 HOH TIP A . +C 2 HOH 27 452 452 HOH TIP A . +C 2 HOH 28 453 453 HOH TIP A . +C 2 HOH 29 455 455 HOH TIP A . +C 2 HOH 30 459 459 HOH TIP A . +C 2 HOH 31 461 461 HOH TIP A . +C 2 HOH 32 462 462 HOH TIP A . +C 2 HOH 33 463 463 HOH TIP A . +C 2 HOH 34 466 466 HOH TIP A . +C 2 HOH 35 467 467 HOH TIP A . +C 2 HOH 36 472 472 HOH TIP A . +C 2 HOH 37 474 474 HOH TIP A . +C 2 HOH 38 479 479 HOH TIP A . +C 2 HOH 39 480 480 HOH TIP A . +C 2 HOH 40 481 481 HOH TIP A . +C 2 HOH 41 482 482 HOH TIP A . +C 2 HOH 42 484 484 HOH TIP A . +C 2 HOH 43 486 486 HOH TIP A . +C 2 HOH 44 487 487 HOH TIP A . +C 2 HOH 45 488 488 HOH TIP A . +C 2 HOH 46 489 489 HOH TIP A . +C 2 HOH 47 493 493 HOH TIP A . +C 2 HOH 48 494 494 HOH TIP A . +C 2 HOH 49 495 495 HOH TIP A . +C 2 HOH 50 497 497 HOH TIP A . +C 2 HOH 51 500 500 HOH TIP A . +C 2 HOH 52 501 501 HOH TIP A . +C 2 HOH 53 502 502 HOH TIP A . +C 2 HOH 54 503 503 HOH TIP A . +C 2 HOH 55 507 507 HOH TIP A . +C 2 HOH 56 509 509 HOH TIP A . +C 2 HOH 57 510 510 HOH TIP A . +C 2 HOH 58 511 511 HOH TIP A . +C 2 HOH 59 512 512 HOH TIP A . +C 2 HOH 60 515 515 HOH TIP A . +C 2 HOH 61 517 517 HOH TIP A . +C 2 HOH 62 520 520 HOH TIP A . +C 2 HOH 63 523 523 HOH TIP A . +C 2 HOH 64 525 525 HOH TIP A . +C 2 HOH 65 526 526 HOH TIP A . +C 2 HOH 66 530 530 HOH TIP A . +C 2 HOH 67 531 531 HOH TIP A . +C 2 HOH 68 533 533 HOH TIP A . +C 2 HOH 69 535 535 HOH TIP A . +C 2 HOH 70 536 536 HOH TIP A . +C 2 HOH 71 537 537 HOH TIP A . +C 2 HOH 72 538 538 HOH TIP A . +C 2 HOH 73 539 539 HOH TIP A . +C 2 HOH 74 540 540 HOH TIP A . +C 2 HOH 75 542 542 HOH TIP A . +C 2 HOH 76 544 544 HOH TIP A . +C 2 HOH 77 545 545 HOH TIP A . +C 2 HOH 78 546 546 HOH TIP A . +C 2 HOH 79 548 548 HOH TIP A . +C 2 HOH 80 549 549 HOH TIP A . +C 2 HOH 81 552 552 HOH TIP A . +C 2 HOH 82 553 553 HOH TIP A . +C 2 HOH 83 554 554 HOH TIP A . +C 2 HOH 84 555 555 HOH TIP A . +C 2 HOH 85 556 556 HOH TIP A . +C 2 HOH 86 557 557 HOH TIP A . +C 2 HOH 87 559 559 HOH TIP A . +C 2 HOH 88 560 560 HOH TIP A . +C 2 HOH 89 563 563 HOH TIP A . +C 2 HOH 90 564 564 HOH TIP A . +C 2 HOH 91 565 565 HOH TIP A . +C 2 HOH 92 566 566 HOH TIP A . +C 2 HOH 93 567 567 HOH TIP A . +C 2 HOH 94 568 568 HOH TIP A . +C 2 HOH 95 569 569 HOH TIP A . +C 2 HOH 96 574 574 HOH TIP A . +C 2 HOH 97 576 576 HOH TIP A . +C 2 HOH 98 578 578 HOH TIP A . +C 2 HOH 99 582 582 HOH TIP A . +C 2 HOH 100 584 584 HOH TIP A . +C 2 HOH 101 585 585 HOH TIP A . +C 2 HOH 102 586 586 HOH TIP A . +C 2 HOH 103 587 587 HOH TIP A . +C 2 HOH 104 588 588 HOH TIP A . +C 2 HOH 105 590 590 HOH TIP A . +C 2 HOH 106 593 593 HOH TIP A . +C 2 HOH 107 594 594 HOH TIP A . +C 2 HOH 108 596 596 HOH TIP A . +C 2 HOH 109 598 598 HOH TIP A . +C 2 HOH 110 599 599 HOH TIP A . +C 2 HOH 111 600 600 HOH TIP A . +C 2 HOH 112 603 603 HOH TIP A . +C 2 HOH 113 606 606 HOH TIP A . +C 2 HOH 114 609 609 HOH TIP A . +C 2 HOH 115 610 610 HOH TIP A . +C 2 HOH 116 612 612 HOH TIP A . +C 2 HOH 117 614 614 HOH TIP A . +C 2 HOH 118 621 621 HOH TIP A . +C 2 HOH 119 622 622 HOH TIP A . +C 2 HOH 120 623 623 HOH TIP A . +C 2 HOH 121 626 626 HOH TIP A . +C 2 HOH 122 631 631 HOH TIP A . +C 2 HOH 123 636 636 HOH TIP A . +C 2 HOH 124 638 638 HOH TIP A . +C 2 HOH 125 639 639 HOH TIP A . +C 2 HOH 126 644 644 HOH TIP A . +C 2 HOH 127 646 646 HOH TIP A . +C 2 HOH 128 650 650 HOH TIP A . +C 2 HOH 129 651 651 HOH TIP A . +C 2 HOH 130 653 653 HOH TIP A . +C 2 HOH 131 654 654 HOH TIP A . +C 2 HOH 132 655 655 HOH TIP A . +C 2 HOH 133 657 657 HOH TIP A . +C 2 HOH 134 658 658 HOH TIP A . +C 2 HOH 135 662 662 HOH TIP A . +C 2 HOH 136 663 663 HOH TIP A . +C 2 HOH 137 664 664 HOH TIP A . +C 2 HOH 138 666 666 HOH TIP A . +C 2 HOH 139 668 668 HOH TIP A . +C 2 HOH 140 670 670 HOH TIP A . +C 2 HOH 141 671 671 HOH TIP A . +C 2 HOH 142 672 672 HOH TIP A . +C 2 HOH 143 673 673 HOH TIP A . +C 2 HOH 144 674 674 HOH TIP A . +C 2 HOH 145 676 676 HOH TIP A . +C 2 HOH 146 678 678 HOH TIP A . +C 2 HOH 147 682 682 HOH TIP A . +C 2 HOH 148 685 685 HOH TIP A . +C 2 HOH 149 689 689 HOH TIP A . +C 2 HOH 150 692 692 HOH TIP A . +C 2 HOH 151 696 696 HOH TIP A . +C 2 HOH 152 698 698 HOH TIP A . +C 2 HOH 153 702 702 HOH TIP A . +C 2 HOH 154 703 703 HOH TIP A . +C 2 HOH 155 705 705 HOH TIP A . +C 2 HOH 156 706 706 HOH TIP A . +C 2 HOH 157 708 708 HOH TIP A . +C 2 HOH 158 709 709 HOH TIP A . +C 2 HOH 159 712 712 HOH TIP A . +C 2 HOH 160 713 713 HOH TIP A . +C 2 HOH 161 718 718 HOH TIP A . +C 2 HOH 162 719 719 HOH TIP A . +C 2 HOH 163 721 721 HOH TIP A . +C 2 HOH 164 722 722 HOH TIP A . +C 2 HOH 165 724 724 HOH TIP A . +C 2 HOH 166 725 725 HOH TIP A . +C 2 HOH 167 727 727 HOH TIP A . +C 2 HOH 168 728 728 HOH TIP A . +C 2 HOH 169 734 734 HOH TIP A . +C 2 HOH 170 736 736 HOH TIP A . +C 2 HOH 171 738 738 HOH TIP A . +C 2 HOH 172 741 741 HOH TIP A . +C 2 HOH 173 742 742 HOH TIP A . +C 2 HOH 174 744 744 HOH TIP A . +C 2 HOH 175 746 746 HOH TIP A . +C 2 HOH 176 747 747 HOH TIP A . +C 2 HOH 177 748 748 HOH TIP A . +C 2 HOH 178 750 750 HOH TIP A . +C 2 HOH 179 751 751 HOH TIP A . +C 2 HOH 180 754 754 HOH TIP A . +C 2 HOH 181 755 755 HOH TIP A . +C 2 HOH 182 760 760 HOH TIP A . +C 2 HOH 183 762 762 HOH TIP A . +C 2 HOH 184 767 767 HOH TIP A . +C 2 HOH 185 768 768 HOH TIP A . +C 2 HOH 186 769 769 HOH TIP A . +C 2 HOH 187 771 771 HOH TIP A . +C 2 HOH 188 773 773 HOH TIP A . +C 2 HOH 189 774 774 HOH TIP A . +C 2 HOH 190 776 776 HOH TIP A . +C 2 HOH 191 781 781 HOH TIP A . +C 2 HOH 192 782 782 HOH TIP A . +C 2 HOH 193 783 783 HOH TIP A . +C 2 HOH 194 784 784 HOH TIP A . +C 2 HOH 195 788 788 HOH TIP A . +C 2 HOH 196 791 791 HOH TIP A . +C 2 HOH 197 792 792 HOH TIP A . +C 2 HOH 198 793 793 HOH TIP A . +C 2 HOH 199 797 797 HOH TIP A . +C 2 HOH 200 798 798 HOH TIP A . +C 2 HOH 201 801 801 HOH TIP A . +C 2 HOH 202 803 803 HOH TIP A . +C 2 HOH 203 804 804 HOH TIP A . +C 2 HOH 204 810 810 HOH TIP A . +C 2 HOH 205 811 811 HOH TIP A . +C 2 HOH 206 812 812 HOH TIP A . +C 2 HOH 207 813 813 HOH TIP A . +C 2 HOH 208 817 817 HOH TIP A . +C 2 HOH 209 818 818 HOH TIP A . +C 2 HOH 210 819 819 HOH TIP A . +C 2 HOH 211 820 820 HOH TIP A . +C 2 HOH 212 821 821 HOH TIP A . +C 2 HOH 213 822 822 HOH TIP A . +C 2 HOH 214 826 826 HOH TIP A . +C 2 HOH 215 827 827 HOH TIP A . +C 2 HOH 216 830 830 HOH TIP A . +C 2 HOH 217 831 831 HOH TIP A . +C 2 HOH 218 832 832 HOH TIP A . +C 2 HOH 219 833 833 HOH TIP A . +C 2 HOH 220 834 834 HOH TIP A . +C 2 HOH 221 835 835 HOH TIP A . +C 2 HOH 222 837 837 HOH TIP A . +C 2 HOH 223 838 838 HOH TIP A . +C 2 HOH 224 839 839 HOH TIP A . +C 2 HOH 225 840 840 HOH TIP A . +C 2 HOH 226 841 841 HOH TIP A . +C 2 HOH 227 846 846 HOH TIP A . +C 2 HOH 228 847 847 HOH TIP A . +C 2 HOH 229 848 848 HOH TIP A . +C 2 HOH 230 849 849 HOH TIP A . +C 2 HOH 231 850 850 HOH TIP A . +C 2 HOH 232 851 851 HOH TIP A . +C 2 HOH 233 852 852 HOH TIP A . +C 2 HOH 234 854 854 HOH TIP A . +C 2 HOH 235 858 858 HOH TIP A . +C 2 HOH 236 859 859 HOH TIP A . +C 2 HOH 237 860 860 HOH TIP A . +C 2 HOH 238 863 863 HOH TIP A . +C 2 HOH 239 864 864 HOH TIP A . +C 2 HOH 240 866 866 HOH TIP A . +C 2 HOH 241 867 867 HOH TIP A . +C 2 HOH 242 868 868 HOH TIP A . +C 2 HOH 243 869 869 HOH TIP A . +C 2 HOH 244 870 870 HOH TIP A . +C 2 HOH 245 873 873 HOH TIP A . +C 2 HOH 246 877 877 HOH TIP A . +C 2 HOH 247 879 879 HOH TIP A . +C 2 HOH 248 885 885 HOH TIP A . +C 2 HOH 249 888 888 HOH TIP A . +C 2 HOH 250 889 889 HOH TIP A . +C 2 HOH 251 890 890 HOH TIP A . +C 2 HOH 252 891 891 HOH TIP A . +C 2 HOH 253 892 892 HOH TIP A . +C 2 HOH 254 894 894 HOH TIP A . +C 2 HOH 255 896 896 HOH TIP A . +C 2 HOH 256 898 898 HOH TIP A . +C 2 HOH 257 904 904 HOH TIP A . +C 2 HOH 258 907 907 HOH TIP A . +C 2 HOH 259 908 908 HOH TIP A . +C 2 HOH 260 910 910 HOH TIP A . +C 2 HOH 261 911 911 HOH TIP A . +C 2 HOH 262 913 913 HOH TIP A . +C 2 HOH 263 914 914 HOH TIP A . +C 2 HOH 264 915 915 HOH TIP A . +C 2 HOH 265 916 916 HOH TIP A . +C 2 HOH 266 917 917 HOH TIP A . +C 2 HOH 267 920 920 HOH TIP A . +C 2 HOH 268 924 924 HOH TIP A . +C 2 HOH 269 926 926 HOH TIP A . +C 2 HOH 270 927 927 HOH TIP A . +C 2 HOH 271 928 928 HOH TIP A . +C 2 HOH 272 929 929 HOH TIP A . +C 2 HOH 273 930 930 HOH TIP A . +C 2 HOH 274 934 934 HOH TIP A . +C 2 HOH 275 937 937 HOH TIP A . +C 2 HOH 276 941 941 HOH TIP A . +C 2 HOH 277 942 942 HOH TIP A . +C 2 HOH 278 946 946 HOH TIP A . +C 2 HOH 279 947 947 HOH TIP A . +C 2 HOH 280 950 950 HOH TIP A . +C 2 HOH 281 954 954 HOH TIP A . +C 2 HOH 282 955 955 HOH TIP A . +C 2 HOH 283 956 956 HOH TIP A . +C 2 HOH 284 957 957 HOH TIP A . +C 2 HOH 285 958 958 HOH TIP A . +C 2 HOH 286 959 959 HOH TIP A . +C 2 HOH 287 960 960 HOH TIP A . +C 2 HOH 288 963 963 HOH TIP A . +C 2 HOH 289 966 966 HOH TIP A . +C 2 HOH 290 968 968 HOH TIP A . +C 2 HOH 291 969 969 HOH TIP A . +C 2 HOH 292 973 973 HOH TIP A . +C 2 HOH 293 975 975 HOH TIP A . +C 2 HOH 294 976 976 HOH TIP A . +C 2 HOH 295 977 977 HOH TIP A . +C 2 HOH 296 978 978 HOH TIP A . +C 2 HOH 297 979 979 HOH TIP A . +C 2 HOH 298 981 981 HOH TIP A . +C 2 HOH 299 982 982 HOH TIP A . +C 2 HOH 300 984 984 HOH TIP A . +C 2 HOH 301 987 987 HOH TIP A . +C 2 HOH 302 988 988 HOH TIP A . +C 2 HOH 303 990 990 HOH TIP A . +C 2 HOH 304 996 996 HOH TIP A . +C 2 HOH 305 997 997 HOH TIP A . +C 2 HOH 306 999 999 HOH TIP A . +C 2 HOH 307 1003 1003 HOH TIP A . +C 2 HOH 308 1004 1004 HOH TIP A . +C 2 HOH 309 1005 1005 HOH TIP A . +C 2 HOH 310 1006 1006 HOH TIP A . +C 2 HOH 311 1008 1008 HOH TIP A . +C 2 HOH 312 1009 1009 HOH TIP A . +C 2 HOH 313 1012 1012 HOH TIP A . +C 2 HOH 314 1013 1013 HOH TIP A . +C 2 HOH 315 1014 1014 HOH TIP A . +C 2 HOH 316 1019 1019 HOH TIP A . +C 2 HOH 317 1020 1020 HOH TIP A . +C 2 HOH 318 1021 1021 HOH TIP A . +C 2 HOH 319 1025 1025 HOH TIP A . +C 2 HOH 320 1026 1026 HOH TIP A . +C 2 HOH 321 1027 1027 HOH TIP A . +C 2 HOH 322 1029 1029 HOH TIP A . +D 2 HOH 1 400 400 HOH TIP B . +D 2 HOH 2 403 403 HOH TIP B . +D 2 HOH 3 404 404 HOH TIP B . +D 2 HOH 4 405 405 HOH TIP B . +D 2 HOH 5 406 406 HOH TIP B . +D 2 HOH 6 408 408 HOH TIP B . +D 2 HOH 7 411 411 HOH TIP B . +D 2 HOH 8 412 412 HOH TIP B . +D 2 HOH 9 413 413 HOH TIP B . +D 2 HOH 10 414 414 HOH TIP B . +D 2 HOH 11 416 416 HOH TIP B . +D 2 HOH 12 417 417 HOH TIP B . +D 2 HOH 13 418 418 HOH TIP B . +D 2 HOH 14 423 423 HOH TIP B . +D 2 HOH 15 425 425 HOH TIP B . +D 2 HOH 16 428 428 HOH TIP B . +D 2 HOH 17 432 432 HOH TIP B . +D 2 HOH 18 433 433 HOH TIP B . +D 2 HOH 19 436 436 HOH TIP B . +D 2 HOH 20 437 437 HOH TIP B . +D 2 HOH 21 438 438 HOH TIP B . +D 2 HOH 22 441 441 HOH TIP B . +D 2 HOH 23 442 442 HOH TIP B . +D 2 HOH 24 445 445 HOH TIP B . +D 2 HOH 25 446 446 HOH TIP B . +D 2 HOH 26 447 447 HOH TIP B . +D 2 HOH 27 454 454 HOH TIP B . +D 2 HOH 28 456 456 HOH TIP B . +D 2 HOH 29 457 457 HOH TIP B . +D 2 HOH 30 458 458 HOH TIP B . +D 2 HOH 31 460 460 HOH TIP B . +D 2 HOH 32 464 464 HOH TIP B . +D 2 HOH 33 465 465 HOH TIP B . +D 2 HOH 34 468 468 HOH TIP B . +D 2 HOH 35 469 469 HOH TIP B . +D 2 HOH 36 470 470 HOH TIP B . +D 2 HOH 37 471 471 HOH TIP B . +D 2 HOH 38 473 473 HOH TIP B . +D 2 HOH 39 475 475 HOH TIP B . +D 2 HOH 40 476 476 HOH TIP B . +D 2 HOH 41 477 477 HOH TIP B . +D 2 HOH 42 478 478 HOH TIP B . +D 2 HOH 43 483 483 HOH TIP B . +D 2 HOH 44 485 485 HOH TIP B . +D 2 HOH 45 490 490 HOH TIP B . +D 2 HOH 46 491 491 HOH TIP B . +D 2 HOH 47 492 492 HOH TIP B . +D 2 HOH 48 496 496 HOH TIP B . +D 2 HOH 49 498 498 HOH TIP B . +D 2 HOH 50 499 499 HOH TIP B . +D 2 HOH 51 504 504 HOH TIP B . +D 2 HOH 52 505 505 HOH TIP B . +D 2 HOH 53 506 506 HOH TIP B . +D 2 HOH 54 508 508 HOH TIP B . +D 2 HOH 55 513 513 HOH TIP B . +D 2 HOH 56 514 514 HOH TIP B . +D 2 HOH 57 516 516 HOH TIP B . +D 2 HOH 58 518 518 HOH TIP B . +D 2 HOH 59 519 519 HOH TIP B . +D 2 HOH 60 521 521 HOH TIP B . +D 2 HOH 61 522 522 HOH TIP B . +D 2 HOH 62 524 524 HOH TIP B . +D 2 HOH 63 527 527 HOH TIP B . +D 2 HOH 64 528 528 HOH TIP B . +D 2 HOH 65 529 529 HOH TIP B . +D 2 HOH 66 532 532 HOH TIP B . +D 2 HOH 67 534 534 HOH TIP B . +D 2 HOH 68 541 541 HOH TIP B . +D 2 HOH 69 543 543 HOH TIP B . +D 2 HOH 70 547 547 HOH TIP B . +D 2 HOH 71 550 550 HOH TIP B . +D 2 HOH 72 551 551 HOH TIP B . +D 2 HOH 73 558 558 HOH TIP B . +D 2 HOH 74 561 561 HOH TIP B . +D 2 HOH 75 562 562 HOH TIP B . +D 2 HOH 76 570 570 HOH TIP B . +D 2 HOH 77 571 571 HOH TIP B . +D 2 HOH 78 572 572 HOH TIP B . +D 2 HOH 79 573 573 HOH TIP B . +D 2 HOH 80 575 575 HOH TIP B . +D 2 HOH 81 577 577 HOH TIP B . +D 2 HOH 82 579 579 HOH TIP B . +D 2 HOH 83 580 580 HOH TIP B . +D 2 HOH 84 581 581 HOH TIP B . +D 2 HOH 85 583 583 HOH TIP B . +D 2 HOH 86 589 589 HOH TIP B . +D 2 HOH 87 591 591 HOH TIP B . +D 2 HOH 88 592 592 HOH TIP B . +D 2 HOH 89 595 595 HOH TIP B . +D 2 HOH 90 597 597 HOH TIP B . +D 2 HOH 91 601 601 HOH TIP B . +D 2 HOH 92 602 602 HOH TIP B . +D 2 HOH 93 604 604 HOH TIP B . +D 2 HOH 94 605 605 HOH TIP B . +D 2 HOH 95 607 607 HOH TIP B . +D 2 HOH 96 608 608 HOH TIP B . +D 2 HOH 97 611 611 HOH TIP B . +D 2 HOH 98 613 613 HOH TIP B . +D 2 HOH 99 615 615 HOH TIP B . +D 2 HOH 100 616 616 HOH TIP B . +D 2 HOH 101 617 617 HOH TIP B . +D 2 HOH 102 618 618 HOH TIP B . +D 2 HOH 103 619 619 HOH TIP B . +D 2 HOH 104 620 620 HOH TIP B . +D 2 HOH 105 624 624 HOH TIP B . +D 2 HOH 106 625 625 HOH TIP B . +D 2 HOH 107 627 627 HOH TIP B . +D 2 HOH 108 628 628 HOH TIP B . +D 2 HOH 109 629 629 HOH TIP B . +D 2 HOH 110 630 630 HOH TIP B . +D 2 HOH 111 632 632 HOH TIP B . +D 2 HOH 112 633 633 HOH TIP B . +D 2 HOH 113 634 634 HOH TIP B . +D 2 HOH 114 635 635 HOH TIP B . +D 2 HOH 115 637 637 HOH TIP B . +D 2 HOH 116 640 640 HOH TIP B . +D 2 HOH 117 641 641 HOH TIP B . +D 2 HOH 118 642 642 HOH TIP B . +D 2 HOH 119 643 643 HOH TIP B . +D 2 HOH 120 645 645 HOH TIP B . +D 2 HOH 121 647 647 HOH TIP B . +D 2 HOH 122 648 648 HOH TIP B . +D 2 HOH 123 649 649 HOH TIP B . +D 2 HOH 124 652 652 HOH TIP B . +D 2 HOH 125 656 656 HOH TIP B . +D 2 HOH 126 659 659 HOH TIP B . +D 2 HOH 127 660 660 HOH TIP B . +D 2 HOH 128 661 661 HOH TIP B . +D 2 HOH 129 665 665 HOH TIP B . +D 2 HOH 130 667 667 HOH TIP B . +D 2 HOH 131 669 669 HOH TIP B . +D 2 HOH 132 675 675 HOH TIP B . +D 2 HOH 133 677 677 HOH TIP B . +D 2 HOH 134 679 679 HOH TIP B . +D 2 HOH 135 680 680 HOH TIP B . +D 2 HOH 136 681 681 HOH TIP B . +D 2 HOH 137 683 683 HOH TIP B . +D 2 HOH 138 684 684 HOH TIP B . +D 2 HOH 139 686 686 HOH TIP B . +D 2 HOH 140 687 687 HOH TIP B . +D 2 HOH 141 688 688 HOH TIP B . +D 2 HOH 142 690 690 HOH TIP B . +D 2 HOH 143 691 691 HOH TIP B . +D 2 HOH 144 693 693 HOH TIP B . +D 2 HOH 145 694 694 HOH TIP B . +D 2 HOH 146 695 695 HOH TIP B . +D 2 HOH 147 697 697 HOH TIP B . +D 2 HOH 148 699 699 HOH TIP B . +D 2 HOH 149 700 700 HOH TIP B . +D 2 HOH 150 701 701 HOH TIP B . +D 2 HOH 151 704 704 HOH TIP B . +D 2 HOH 152 707 707 HOH TIP B . +D 2 HOH 153 710 710 HOH TIP B . +D 2 HOH 154 711 711 HOH TIP B . +D 2 HOH 155 714 714 HOH TIP B . +D 2 HOH 156 715 715 HOH TIP B . +D 2 HOH 157 716 716 HOH TIP B . +D 2 HOH 158 717 717 HOH TIP B . +D 2 HOH 159 720 720 HOH TIP B . +D 2 HOH 160 723 723 HOH TIP B . +D 2 HOH 161 726 726 HOH TIP B . +D 2 HOH 162 729 729 HOH TIP B . +D 2 HOH 163 730 730 HOH TIP B . +D 2 HOH 164 731 731 HOH TIP B . +D 2 HOH 165 732 732 HOH TIP B . +D 2 HOH 166 733 733 HOH TIP B . +D 2 HOH 167 735 735 HOH TIP B . +D 2 HOH 168 737 737 HOH TIP B . +D 2 HOH 169 739 739 HOH TIP B . +D 2 HOH 170 740 740 HOH TIP B . +D 2 HOH 171 743 743 HOH TIP B . +D 2 HOH 172 745 745 HOH TIP B . +D 2 HOH 173 749 749 HOH TIP B . +D 2 HOH 174 752 752 HOH TIP B . +D 2 HOH 175 753 753 HOH TIP B . +D 2 HOH 176 756 756 HOH TIP B . +D 2 HOH 177 757 757 HOH TIP B . +D 2 HOH 178 758 758 HOH TIP B . +D 2 HOH 179 759 759 HOH TIP B . +D 2 HOH 180 761 761 HOH TIP B . +D 2 HOH 181 763 763 HOH TIP B . +D 2 HOH 182 764 764 HOH TIP B . +D 2 HOH 183 765 765 HOH TIP B . +D 2 HOH 184 766 766 HOH TIP B . +D 2 HOH 185 770 770 HOH TIP B . +D 2 HOH 186 772 772 HOH TIP B . +D 2 HOH 187 775 775 HOH TIP B . +D 2 HOH 188 777 777 HOH TIP B . +D 2 HOH 189 778 778 HOH TIP B . +D 2 HOH 190 779 779 HOH TIP B . +D 2 HOH 191 780 780 HOH TIP B . +D 2 HOH 192 785 785 HOH TIP B . +D 2 HOH 193 786 786 HOH TIP B . +D 2 HOH 194 787 787 HOH TIP B . +D 2 HOH 195 789 789 HOH TIP B . +D 2 HOH 196 790 790 HOH TIP B . +D 2 HOH 197 794 794 HOH TIP B . +D 2 HOH 198 795 795 HOH TIP B . +D 2 HOH 199 796 796 HOH TIP B . +D 2 HOH 200 799 799 HOH TIP B . +D 2 HOH 201 800 800 HOH TIP B . +D 2 HOH 202 802 802 HOH TIP B . +D 2 HOH 203 805 805 HOH TIP B . +D 2 HOH 204 806 806 HOH TIP B . +D 2 HOH 205 807 807 HOH TIP B . +D 2 HOH 206 808 808 HOH TIP B . +D 2 HOH 207 809 809 HOH TIP B . +D 2 HOH 208 814 814 HOH TIP B . +D 2 HOH 209 815 815 HOH TIP B . +D 2 HOH 210 816 816 HOH TIP B . +D 2 HOH 211 823 823 HOH TIP B . +D 2 HOH 212 824 824 HOH TIP B . +D 2 HOH 213 825 825 HOH TIP B . +D 2 HOH 214 828 828 HOH TIP B . +D 2 HOH 215 829 829 HOH TIP B . +D 2 HOH 216 836 836 HOH TIP B . +D 2 HOH 217 842 842 HOH TIP B . +D 2 HOH 218 843 843 HOH TIP B . +D 2 HOH 219 844 844 HOH TIP B . +D 2 HOH 220 845 845 HOH TIP B . +D 2 HOH 221 853 853 HOH TIP B . +D 2 HOH 222 855 855 HOH TIP B . +D 2 HOH 223 856 856 HOH TIP B . +D 2 HOH 224 857 857 HOH TIP B . +D 2 HOH 225 861 861 HOH TIP B . +D 2 HOH 226 862 862 HOH TIP B . +D 2 HOH 227 865 865 HOH TIP B . +D 2 HOH 228 871 871 HOH TIP B . +D 2 HOH 229 872 872 HOH TIP B . +D 2 HOH 230 874 874 HOH TIP B . +D 2 HOH 231 875 875 HOH TIP B . +D 2 HOH 232 876 876 HOH TIP B . +D 2 HOH 233 878 878 HOH TIP B . +D 2 HOH 234 880 880 HOH TIP B . +D 2 HOH 235 881 881 HOH TIP B . +D 2 HOH 236 882 882 HOH TIP B . +D 2 HOH 237 883 883 HOH TIP B . +D 2 HOH 238 884 884 HOH TIP B . +D 2 HOH 239 886 886 HOH TIP B . +D 2 HOH 240 887 887 HOH TIP B . +D 2 HOH 241 893 893 HOH TIP B . +D 2 HOH 242 895 895 HOH TIP B . +D 2 HOH 243 897 897 HOH TIP B . +D 2 HOH 244 899 899 HOH TIP B . +D 2 HOH 245 900 900 HOH TIP B . +D 2 HOH 246 901 901 HOH TIP B . +D 2 HOH 247 902 902 HOH TIP B . +D 2 HOH 248 903 903 HOH TIP B . +D 2 HOH 249 905 905 HOH TIP B . +D 2 HOH 250 906 906 HOH TIP B . +D 2 HOH 251 909 909 HOH TIP B . +D 2 HOH 252 912 912 HOH TIP B . +D 2 HOH 253 918 918 HOH TIP B . +D 2 HOH 254 919 919 HOH TIP B . +D 2 HOH 255 921 921 HOH TIP B . +D 2 HOH 256 922 922 HOH TIP B . +D 2 HOH 257 923 923 HOH TIP B . +D 2 HOH 258 925 925 HOH TIP B . +D 2 HOH 259 931 931 HOH TIP B . +D 2 HOH 260 932 932 HOH TIP B . +D 2 HOH 261 933 933 HOH TIP B . +D 2 HOH 262 935 935 HOH TIP B . +D 2 HOH 263 936 936 HOH TIP B . +D 2 HOH 264 938 938 HOH TIP B . +D 2 HOH 265 939 939 HOH TIP B . +D 2 HOH 266 940 940 HOH TIP B . +D 2 HOH 267 943 943 HOH TIP B . +D 2 HOH 268 944 944 HOH TIP B . +D 2 HOH 269 945 945 HOH TIP B . +D 2 HOH 270 948 948 HOH TIP B . +D 2 HOH 271 949 949 HOH TIP B . +D 2 HOH 272 951 951 HOH TIP B . +D 2 HOH 273 952 952 HOH TIP B . +D 2 HOH 274 953 953 HOH TIP B . +D 2 HOH 275 961 961 HOH TIP B . +D 2 HOH 276 962 962 HOH TIP B . +D 2 HOH 277 964 964 HOH TIP B . +D 2 HOH 278 965 965 HOH TIP B . +D 2 HOH 279 967 967 HOH TIP B . +D 2 HOH 280 970 970 HOH TIP B . +D 2 HOH 281 971 971 HOH TIP B . +D 2 HOH 282 972 972 HOH TIP B . +D 2 HOH 283 974 974 HOH TIP B . +D 2 HOH 284 980 980 HOH TIP B . +D 2 HOH 285 983 983 HOH TIP B . +D 2 HOH 286 985 985 HOH TIP B . +D 2 HOH 287 986 986 HOH TIP B . +D 2 HOH 288 989 989 HOH TIP B . +D 2 HOH 289 991 991 HOH TIP B . +D 2 HOH 290 992 992 HOH TIP B . +D 2 HOH 291 993 993 HOH TIP B . +D 2 HOH 292 994 994 HOH TIP B . +D 2 HOH 293 995 995 HOH TIP B . +D 2 HOH 294 998 998 HOH TIP B . +D 2 HOH 295 1000 1000 HOH TIP B . +D 2 HOH 296 1001 1001 HOH TIP B . +D 2 HOH 297 1002 1002 HOH TIP B . +D 2 HOH 298 1007 1007 HOH TIP B . +D 2 HOH 299 1010 1010 HOH TIP B . +D 2 HOH 300 1011 1011 HOH TIP B . +D 2 HOH 301 1015 1015 HOH TIP B . +D 2 HOH 302 1016 1016 HOH TIP B . +D 2 HOH 303 1017 1017 HOH TIP B . +D 2 HOH 304 1018 1018 HOH TIP B . +D 2 HOH 305 1022 1022 HOH TIP B . +D 2 HOH 306 1023 1023 HOH TIP B . +D 2 HOH 307 1024 1024 HOH TIP B . +D 2 HOH 308 1028 1028 HOH TIP B . +D 2 HOH 309 1030 1030 HOH TIP B . +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +CNS refinement . ? 1 +d*TREK 'data reduction' . ? 2 +HKL-2000 'data scaling' . ? 3 +CNS phasing . ? 4 +# +_cell.entry_id 1KTN +_cell.length_a 62.566 +_cell.length_b 53.558 +_cell.length_c 81.365 +_cell.angle_alpha 90.00 +_cell.angle_beta 109.97 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1KTN +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +# +_exptl.entry_id 1KTN +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 48.31 +_exptl_crystal.density_Matthews 2.38 +_exptl_crystal.description ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 8.4 +_exptl_crystal_grow.pdbx_details '20% PEG4K, 0.2M MgCl2, 0.1M Tris_HCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type SBC-1 +_diffrn_detector.pdbx_collection_date 2001-01-01 +_diffrn_detector.details mirrors +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'Si 111 CHANNEL' +_diffrn_radiation.pdbx_diffrn_protocol MAD +_diffrn_radiation.pdbx_scattering_type x-ray +# +loop_ +_diffrn_radiation_wavelength.id +_diffrn_radiation_wavelength.wavelength +_diffrn_radiation_wavelength.wt +1 0.9795 1.0 +2 0.9798 1.0 +3 0.9650 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'APS BEAMLINE 19-BM' +_diffrn_source.pdbx_synchrotron_site APS +_diffrn_source.pdbx_synchrotron_beamline 19-BM +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list '0.9795, 0.9798, 0.9650' +# +_reflns.entry_id 1KTN +_reflns.observed_criterion_sigma_I 2.0 +_reflns.observed_criterion_sigma_F 2.0 +_reflns.d_resolution_low 50 +_reflns.d_resolution_high 1.4 +_reflns.number_obs 98786 +_reflns.number_all 99282 +_reflns.percent_possible_obs 99.5 +_reflns.pdbx_Rmerge_I_obs 0.0780000 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 20 +_reflns.B_iso_Wilson_estimate 9.1 +_reflns.pdbx_redundancy 6.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_reflns_shell.d_res_high 1.40 +_reflns_shell.d_res_low 1.45 +_reflns_shell.percent_possible_all 98.2 +_reflns_shell.Rmerge_I_obs 0.3090000 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.meanI_over_sigI_obs 2.44 +_reflns_shell.pdbx_redundancy 4.46 +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_unique_all 9695 +_reflns_shell.pdbx_diffrn_id ? +_reflns_shell.pdbx_ordinal 1 +# +_refine.entry_id 1KTN +_refine.ls_number_reflns_obs 88731 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 1.0 +_refine.pdbx_data_cutoff_high_absF 354397.40 +_refine.pdbx_data_cutoff_low_absF 0.000000 +_refine.ls_d_res_low 38.65 +_refine.ls_d_res_high 1.40 +_refine.ls_percent_reflns_obs 88.9 +_refine.ls_R_factor_obs 0.1860000 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.1860000 +_refine.ls_R_factor_R_free 0.2050000 +_refine.ls_R_factor_R_free_error 0.003 +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 5.0 +_refine.ls_number_reflns_R_free 4458 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean 10.3 +_refine.aniso_B[1][1] 0.70 +_refine.aniso_B[2][2] -0.14 +_refine.aniso_B[3][3] -0.56 +_refine.aniso_B[1][2] 0.00 +_refine.aniso_B[1][3] 0.68 +_refine.aniso_B[2][3] 0.00 +_refine.solvent_model_details 'FLAT MODEL' +_refine.solvent_model_param_ksol 0.373051 +_refine.solvent_model_param_bsol 44.6844 +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct MAD +_refine.pdbx_isotropic_thermal_model RESTRAINED +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_B ? +_refine.ls_redundancy_reflns_obs ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_data_cutoff_high_rms_absF 354397.40 +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.entry_id 1KTN +_refine_analyze.Luzzati_coordinate_error_obs 0.14 +_refine_analyze.Luzzati_sigma_a_obs 0.03 +_refine_analyze.Luzzati_d_res_low_obs 5.00 +_refine_analyze.Luzzati_coordinate_error_free 0.16 +_refine_analyze.Luzzati_sigma_a_free 0.04 +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.pdbx_Luzzati_d_res_high_obs ? +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 3762 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 631 +_refine_hist.number_atoms_total 4393 +_refine_hist.d_res_high 1.40 +_refine_hist.d_res_low 38.65 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +c_bond_d 0.004 ? ? ? 'X-RAY DIFFRACTION' ? +c_angle_deg 1.3 ? ? ? 'X-RAY DIFFRACTION' ? +c_dihedral_angle_d 20.9 ? ? ? 'X-RAY DIFFRACTION' ? +c_improper_angle_d 0.88 ? ? ? 'X-RAY DIFFRACTION' ? +# +_refine_ls_shell.pdbx_total_number_of_bins_used 6 +_refine_ls_shell.d_res_high 1.40 +_refine_ls_shell.d_res_low 1.49 +_refine_ls_shell.number_reflns_R_work 10460 +_refine_ls_shell.R_factor_R_work 0.1870000 +_refine_ls_shell.percent_reflns_obs 66.6 +_refine_ls_shell.R_factor_R_free 0.1990000 +_refine_ls_shell.R_factor_R_free_error 0.008 +_refine_ls_shell.percent_reflns_R_free 5.0 +_refine_ls_shell.number_reflns_R_free 553 +_refine_ls_shell.number_reflns_obs ? +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.R_factor_all ? +# +loop_ +_pdbx_xplor_file.serial_no +_pdbx_xplor_file.param_file +_pdbx_xplor_file.topol_file +_pdbx_xplor_file.pdbx_refine_id +1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' +2 WATER_REP.PARAM ATP.TOP 'X-RAY DIFFRACTION' +# +_database_PDB_matrix.entry_id 1KTN +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1KTN +_struct.title 'Structural Genomics, Protein EC1535' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1KTN +_struct_keywords.pdbx_keywords 'STRUCTURAL GENOMICS, LYASE' +_struct_keywords.text +'BETA BARREL, STRUCTURAL GENOMICS, PSI, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, LYASE' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +C N N 2 ? +D N N 2 ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code DEOC_ECOLI +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTLKEQGTPEIRIATVTNFPHGN +DDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIK +AGADFIKTSTGKVAVNATPESARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL +LASLLKALGH +; +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_db_accession P0A6L0 +_struct_ref.pdbx_db_isoform ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1KTN A 1 ? 250 ? P0A6L0 1 ? 250 ? 1 250 +2 1 1KTN B 1 ? 250 ? P0A6L0 1 ? 250 ? 1 250 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +_struct_biol.details +;EC1535 existed as monomer. Chain A +and Chain B represent two molecules +in asymmetric unit. +; +_struct_biol.pdbx_parent_biol_id ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 MET A 1 ? LYS A 13 ? MET A 1 LYS A 13 1 ? 13 +HELX_P HELX_P2 2 THR A 25 ? ALA A 36 ? THR A 25 ALA A 36 1 ? 12 +HELX_P HELX_P3 3 TYR A 49 ? ARG A 51 ? TYR A 49 ARG A 51 5 ? 3 +HELX_P HELX_P4 4 PHE A 52 ? GLN A 63 ? PHE A 52 GLN A 63 1 ? 12 +HELX_P HELX_P5 5 ASP A 82 ? GLY A 97 ? ASP A 82 GLY A 97 1 ? 16 +HELX_P HELX_P6 6 PRO A 106 ? ALA A 112 ? PRO A 106 ALA A 112 1 ? 7 +HELX_P HELX_P7 7 GLU A 115 ? ALA A 132 ? GLU A 115 ALA A 132 1 ? 18 +HELX_P HELX_P8 8 GLU A 141 ? LYS A 146 ? GLU A 141 LYS A 146 1 ? 6 +HELX_P HELX_P9 9 ASP A 147 ? ALA A 161 ? ASP A 147 ALA A 161 1 ? 15 +HELX_P HELX_P10 10 THR A 178 ? GLY A 193 ? THR A 178 GLY A 193 1 ? 16 +HELX_P HELX_P11 11 THR A 208 ? GLY A 224 ? THR A 208 GLY A 224 1 ? 17 +HELX_P HELX_P12 12 SER A 239 ? LEU A 248 ? SER A 239 LEU A 248 1 ? 10 +HELX_P HELX_P13 13 THR B 2 ? LYS B 13 ? THR B 2 LYS B 13 1 ? 12 +HELX_P HELX_P14 14 THR B 25 ? ALA B 36 ? THR B 25 ALA B 36 1 ? 12 +HELX_P HELX_P15 15 TYR B 49 ? ARG B 51 ? TYR B 49 ARG B 51 5 ? 3 +HELX_P HELX_P16 16 PHE B 52 ? GLN B 63 ? PHE B 52 GLN B 63 1 ? 12 +HELX_P HELX_P17 17 ASP B 82 ? GLY B 97 ? ASP B 82 GLY B 97 1 ? 16 +HELX_P HELX_P18 18 PRO B 106 ? ALA B 112 ? PRO B 106 ALA B 112 1 ? 7 +HELX_P HELX_P19 19 GLU B 115 ? ALA B 132 ? GLU B 115 ALA B 132 1 ? 18 +HELX_P HELX_P20 20 GLU B 141 ? LYS B 146 ? GLU B 141 LYS B 146 1 ? 6 +HELX_P HELX_P21 21 ASP B 147 ? ALA B 161 ? ASP B 147 ALA B 161 1 ? 15 +HELX_P HELX_P22 22 THR B 178 ? GLY B 193 ? THR B 178 GLY B 193 1 ? 16 +HELX_P HELX_P23 23 THR B 208 ? GLY B 224 ? THR B 208 GLY B 224 1 ? 17 +HELX_P HELX_P24 24 SER B 239 ? LEU B 248 ? SER B 239 LEU B 248 1 ? 10 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 PHE 76 A . ? PHE 76 A PRO 77 A ? PRO 77 A 1 -0.11 +2 PHE 76 B . ? PHE 76 B PRO 77 B ? PRO 77 B 1 -0.15 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 8 ? +B ? 2 ? +C ? 8 ? +D ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? parallel +A 2 3 ? parallel +A 3 4 ? parallel +A 4 5 ? parallel +A 5 6 ? parallel +A 6 7 ? parallel +A 7 8 ? parallel +B 1 2 ? anti-parallel +C 1 2 ? parallel +C 2 3 ? parallel +C 3 4 ? parallel +C 4 5 ? parallel +C 5 6 ? parallel +C 6 7 ? parallel +C 7 8 ? parallel +D 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 GLY A 199 ? LYS A 201 ? GLY A 199 LYS A 201 +A 2 PHE A 165 ? LYS A 167 ? PHE A 165 LYS A 167 +A 3 LEU A 135 ? ILE A 139 ? LEU A 135 ILE A 139 +A 4 GLU A 100 ? VAL A 104 ? GLU A 100 VAL A 104 +A 5 ARG A 69 ? THR A 74 ? ARG A 69 THR A 74 +A 6 ALA A 45 ? ILE A 48 ? ALA A 45 ILE A 48 +A 7 MET A 15 ? THR A 18 ? MET A 15 THR A 18 +A 8 PHE A 235 ? ALA A 237 ? PHE A 235 ALA A 237 +B 1 LYS A 37 ? THR A 38 ? LYS A 37 THR A 38 +B 2 GLY A 41 ? ASN A 42 ? GLY A 41 ASN A 42 +C 1 GLY B 199 ? LYS B 201 ? GLY B 199 LYS B 201 +C 2 PHE B 165 ? LYS B 167 ? PHE B 165 LYS B 167 +C 3 LEU B 135 ? ILE B 139 ? LEU B 135 ILE B 139 +C 4 GLU B 100 ? VAL B 104 ? GLU B 100 VAL B 104 +C 5 ARG B 69 ? THR B 74 ? ARG B 69 THR B 74 +C 6 ALA B 45 ? ILE B 48 ? ALA B 45 ILE B 48 +C 7 MET B 15 ? THR B 18 ? MET B 15 THR B 18 +C 8 PHE B 235 ? ALA B 237 ? PHE B 235 ALA B 237 +D 1 LYS B 37 ? THR B 38 ? LYS B 37 THR B 38 +D 2 GLY B 41 ? ASN B 42 ? GLY B 41 ASN B 42 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O GLY A 199 ? O GLY A 199 N ILE A 166 ? N ILE A 166 +A 2 3 O LYS A 167 ? O LYS A 167 N VAL A 138 ? N VAL A 138 +A 3 4 O ILE A 139 ? O ILE A 139 N VAL A 103 ? N VAL A 103 +A 4 5 O ASP A 102 ? O ASP A 102 N THR A 72 ? N THR A 72 +A 5 6 O ALA A 71 ? O ALA A 71 N ILE A 46 ? N ILE A 46 +A 6 7 O ALA A 45 ? O ALA A 45 N LEU A 17 ? N LEU A 17 +A 7 8 N ASP A 16 ? N ASP A 16 O PHE A 235 ? O PHE A 235 +B 1 2 N THR A 38 ? N THR A 38 O GLY A 41 ? O GLY A 41 +C 1 2 O GLY B 199 ? O GLY B 199 N ILE B 166 ? N ILE B 166 +C 2 3 O LYS B 167 ? O LYS B 167 N VAL B 138 ? N VAL B 138 +C 3 4 O ILE B 139 ? O ILE B 139 N VAL B 103 ? N VAL B 103 +C 4 5 O ASP B 102 ? O ASP B 102 N THR B 72 ? N THR B 72 +C 5 6 O ALA B 71 ? O ALA B 71 N ILE B 46 ? N ILE B 46 +C 6 7 O ALA B 45 ? O ALA B 45 N LEU B 17 ? N LEU B 17 +C 7 8 N ASP B 16 ? N ASP B 16 O PHE B 235 ? O PHE B 235 +D 1 2 N THR B 38 ? N THR B 38 O GLY B 41 ? O GLY B 41 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 LYS A 146 ? ? 66.81 -57.44 +2 1 ASN A 176 ? ? -118.44 -129.30 +3 1 SER A 238 ? ? -135.52 -77.68 +4 1 GLU B 141 ? ? 61.64 65.47 +5 1 LYS B 146 ? ? 66.07 -58.26 +6 1 ASN B 176 ? ? -120.11 -131.63 +7 1 ALA B 228 ? ? -69.98 63.37 +8 1 SER B 238 ? ? -133.08 -77.89 +# +_pdbx_SG_project.id 1 +_pdbx_SG_project.project_name 'PSI, Protein Structure Initiative' +_pdbx_SG_project.full_name_of_center 'Midwest Center for Structural Genomics' +_pdbx_SG_project.initial_of_center MCSG +# +_pdbx_unobs_or_zero_occ_residues.id 1 +_pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 +_pdbx_unobs_or_zero_occ_residues.polymer_flag Y +_pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 +_pdbx_unobs_or_zero_occ_residues.auth_asym_id B +_pdbx_unobs_or_zero_occ_residues.auth_comp_id MET +_pdbx_unobs_or_zero_occ_residues.auth_seq_id 1 +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? +_pdbx_unobs_or_zero_occ_residues.label_asym_id B +_pdbx_unobs_or_zero_occ_residues.label_comp_id MET +_pdbx_unobs_or_zero_occ_residues.label_seq_id 1 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +CYS N N N N 74 +CYS CA C N R 75 +CYS C C N N 76 +CYS O O N N 77 +CYS CB C N N 78 +CYS SG S N N 79 +CYS OXT O N N 80 +CYS H H N N 81 +CYS H2 H N N 82 +CYS HA H N N 83 +CYS HB2 H N N 84 +CYS HB3 H N N 85 +CYS HG H N N 86 +CYS HXT H N N 87 +GLN N N N N 88 +GLN CA C N S 89 +GLN C C N N 90 +GLN O O N N 91 +GLN CB C N N 92 +GLN CG C N N 93 +GLN CD C N N 94 +GLN OE1 O N N 95 +GLN NE2 N N N 96 +GLN OXT O N N 97 +GLN H H N N 98 +GLN H2 H N N 99 +GLN HA H N N 100 +GLN HB2 H N N 101 +GLN HB3 H N N 102 +GLN HG2 H N N 103 +GLN HG3 H N N 104 +GLN HE21 H N N 105 +GLN HE22 H N N 106 +GLN HXT H N N 107 +GLU N N N N 108 +GLU CA C N S 109 +GLU C C N N 110 +GLU O O N N 111 +GLU CB C N N 112 +GLU CG C N N 113 +GLU CD C N N 114 +GLU OE1 O N N 115 +GLU OE2 O N N 116 +GLU OXT O N N 117 +GLU H H N N 118 +GLU H2 H N N 119 +GLU HA H N N 120 +GLU HB2 H N N 121 +GLU HB3 H N N 122 +GLU HG2 H N N 123 +GLU HG3 H N N 124 +GLU HE2 H N N 125 +GLU HXT H N N 126 +GLY N N N N 127 +GLY CA C N N 128 +GLY C C N N 129 +GLY O O N N 130 +GLY OXT O N N 131 +GLY H H N N 132 +GLY H2 H N N 133 +GLY HA2 H N N 134 +GLY HA3 H N N 135 +GLY HXT H N N 136 +HIS N N N N 137 +HIS CA C N S 138 +HIS C C N N 139 +HIS O O N N 140 +HIS CB C N N 141 +HIS CG C Y N 142 +HIS ND1 N Y N 143 +HIS CD2 C Y N 144 +HIS CE1 C Y N 145 +HIS NE2 N Y N 146 +HIS OXT O N N 147 +HIS H H N N 148 +HIS H2 H N N 149 +HIS HA H N N 150 +HIS HB2 H N N 151 +HIS HB3 H N N 152 +HIS HD1 H N N 153 +HIS HD2 H N N 154 +HIS HE1 H N N 155 +HIS HE2 H N N 156 +HIS HXT H N N 157 +HOH O O N N 158 +HOH H1 H N N 159 +HOH H2 H N N 160 +ILE N N N N 161 +ILE CA C N S 162 +ILE C C N N 163 +ILE O O N N 164 +ILE CB C N S 165 +ILE CG1 C N N 166 +ILE CG2 C N N 167 +ILE CD1 C N N 168 +ILE OXT O N N 169 +ILE H H N N 170 +ILE H2 H N N 171 +ILE HA H N N 172 +ILE HB H N N 173 +ILE HG12 H N N 174 +ILE HG13 H N N 175 +ILE HG21 H N N 176 +ILE HG22 H N N 177 +ILE HG23 H N N 178 +ILE HD11 H N N 179 +ILE HD12 H N N 180 +ILE HD13 H N N 181 +ILE HXT H N N 182 +LEU N N N N 183 +LEU CA C N S 184 +LEU C C N N 185 +LEU O O N N 186 +LEU CB C N N 187 +LEU CG C N N 188 +LEU CD1 C N N 189 +LEU CD2 C N N 190 +LEU OXT O N N 191 +LEU H H N N 192 +LEU H2 H N N 193 +LEU HA H N N 194 +LEU HB2 H N N 195 +LEU HB3 H N N 196 +LEU HG H N N 197 +LEU HD11 H N N 198 +LEU HD12 H N N 199 +LEU HD13 H N N 200 +LEU HD21 H N N 201 +LEU HD22 H N N 202 +LEU HD23 H N N 203 +LEU HXT H N N 204 +LYS N N N N 205 +LYS CA C N S 206 +LYS C C N N 207 +LYS O O N N 208 +LYS CB C N N 209 +LYS CG C N N 210 +LYS CD C N N 211 +LYS CE C N N 212 +LYS NZ N N N 213 +LYS OXT O N N 214 +LYS H H N N 215 +LYS H2 H N N 216 +LYS HA H N N 217 +LYS HB2 H N N 218 +LYS HB3 H N N 219 +LYS HG2 H N N 220 +LYS HG3 H N N 221 +LYS HD2 H N N 222 +LYS HD3 H N N 223 +LYS HE2 H N N 224 +LYS HE3 H N N 225 +LYS HZ1 H N N 226 +LYS HZ2 H N N 227 +LYS HZ3 H N N 228 +LYS HXT H N N 229 +MET N N N N 230 +MET CA C N S 231 +MET C C N N 232 +MET O O N N 233 +MET CB C N N 234 +MET CG C N N 235 +MET SD S N N 236 +MET CE C N N 237 +MET OXT O N N 238 +MET H H N N 239 +MET H2 H N N 240 +MET HA H N N 241 +MET HB2 H N N 242 +MET HB3 H N N 243 +MET HG2 H N N 244 +MET HG3 H N N 245 +MET HE1 H N N 246 +MET HE2 H N N 247 +MET HE3 H N N 248 +MET HXT H N N 249 +PHE N N N N 250 +PHE CA C N S 251 +PHE C C N N 252 +PHE O O N N 253 +PHE CB C N N 254 +PHE CG C Y N 255 +PHE CD1 C Y N 256 +PHE CD2 C Y N 257 +PHE CE1 C Y N 258 +PHE CE2 C Y N 259 +PHE CZ C Y N 260 +PHE OXT O N N 261 +PHE H H N N 262 +PHE H2 H N N 263 +PHE HA H N N 264 +PHE HB2 H N N 265 +PHE HB3 H N N 266 +PHE HD1 H N N 267 +PHE HD2 H N N 268 +PHE HE1 H N N 269 +PHE HE2 H N N 270 +PHE HZ H N N 271 +PHE HXT H N N 272 +PRO N N N N 273 +PRO CA C N S 274 +PRO C C N N 275 +PRO O O N N 276 +PRO CB C N N 277 +PRO CG C N N 278 +PRO CD C N N 279 +PRO OXT O N N 280 +PRO H H N N 281 +PRO HA H N N 282 +PRO HB2 H N N 283 +PRO HB3 H N N 284 +PRO HG2 H N N 285 +PRO HG3 H N N 286 +PRO HD2 H N N 287 +PRO HD3 H N N 288 +PRO HXT H N N 289 +SER N N N N 290 +SER CA C N S 291 +SER C C N N 292 +SER O O N N 293 +SER CB C N N 294 +SER OG O N N 295 +SER OXT O N N 296 +SER H H N N 297 +SER H2 H N N 298 +SER HA H N N 299 +SER HB2 H N N 300 +SER HB3 H N N 301 +SER HG H N N 302 +SER HXT H N N 303 +THR N N N N 304 +THR CA C N S 305 +THR C C N N 306 +THR O O N N 307 +THR CB C N R 308 +THR OG1 O N N 309 +THR CG2 C N N 310 +THR OXT O N N 311 +THR H H N N 312 +THR H2 H N N 313 +THR HA H N N 314 +THR HB H N N 315 +THR HG1 H N N 316 +THR HG21 H N N 317 +THR HG22 H N N 318 +THR HG23 H N N 319 +THR HXT H N N 320 +TRP N N N N 321 +TRP CA C N S 322 +TRP C C N N 323 +TRP O O N N 324 +TRP CB C N N 325 +TRP CG C Y N 326 +TRP CD1 C Y N 327 +TRP CD2 C Y N 328 +TRP NE1 N Y N 329 +TRP CE2 C Y N 330 +TRP CE3 C Y N 331 +TRP CZ2 C Y N 332 +TRP CZ3 C Y N 333 +TRP CH2 C Y N 334 +TRP OXT O N N 335 +TRP H H N N 336 +TRP H2 H N N 337 +TRP HA H N N 338 +TRP HB2 H N N 339 +TRP HB3 H N N 340 +TRP HD1 H N N 341 +TRP HE1 H N N 342 +TRP HE3 H N N 343 +TRP HZ2 H N N 344 +TRP HZ3 H N N 345 +TRP HH2 H N N 346 +TRP HXT H N N 347 +TYR N N N N 348 +TYR CA C N S 349 +TYR C C N N 350 +TYR O O N N 351 +TYR CB C N N 352 +TYR CG C Y N 353 +TYR CD1 C Y N 354 +TYR CD2 C Y N 355 +TYR CE1 C Y N 356 +TYR CE2 C Y N 357 +TYR CZ C Y N 358 +TYR OH O N N 359 +TYR OXT O N N 360 +TYR H H N N 361 +TYR H2 H N N 362 +TYR HA H N N 363 +TYR HB2 H N N 364 +TYR HB3 H N N 365 +TYR HD1 H N N 366 +TYR HD2 H N N 367 +TYR HE1 H N N 368 +TYR HE2 H N N 369 +TYR HH H N N 370 +TYR HXT H N N 371 +VAL N N N N 372 +VAL CA C N S 373 +VAL C C N N 374 +VAL O O N N 375 +VAL CB C N N 376 +VAL CG1 C N N 377 +VAL CG2 C N N 378 +VAL OXT O N N 379 +VAL H H N N 380 +VAL H2 H N N 381 +VAL HA H N N 382 +VAL HB H N N 383 +VAL HG11 H N N 384 +VAL HG12 H N N 385 +VAL HG13 H N N 386 +VAL HG21 H N N 387 +VAL HG22 H N N 388 +VAL HG23 H N N 389 +VAL HXT H N N 390 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +CYS N CA sing N N 70 +CYS N H sing N N 71 +CYS N H2 sing N N 72 +CYS CA C sing N N 73 +CYS CA CB sing N N 74 +CYS CA HA sing N N 75 +CYS C O doub N N 76 +CYS C OXT sing N N 77 +CYS CB SG sing N N 78 +CYS CB HB2 sing N N 79 +CYS CB HB3 sing N N 80 +CYS SG HG sing N N 81 +CYS OXT HXT sing N N 82 +GLN N CA sing N N 83 +GLN N H sing N N 84 +GLN N H2 sing N N 85 +GLN CA C sing N N 86 +GLN CA CB sing N N 87 +GLN CA HA sing N N 88 +GLN C O doub N N 89 +GLN C OXT sing N N 90 +GLN CB CG sing N N 91 +GLN CB HB2 sing N N 92 +GLN CB HB3 sing N N 93 +GLN CG CD sing N N 94 +GLN CG HG2 sing N N 95 +GLN CG HG3 sing N N 96 +GLN CD OE1 doub N N 97 +GLN CD NE2 sing N N 98 +GLN NE2 HE21 sing N N 99 +GLN NE2 HE22 sing N N 100 +GLN OXT HXT sing N N 101 +GLU N CA sing N N 102 +GLU N H sing N N 103 +GLU N H2 sing N N 104 +GLU CA C sing N N 105 +GLU CA CB sing N N 106 +GLU CA HA sing N N 107 +GLU C O doub N N 108 +GLU C OXT sing N N 109 +GLU CB CG sing N N 110 +GLU CB HB2 sing N N 111 +GLU CB HB3 sing N N 112 +GLU CG CD sing N N 113 +GLU CG HG2 sing N N 114 +GLU CG HG3 sing N N 115 +GLU CD OE1 doub N N 116 +GLU CD OE2 sing N N 117 +GLU OE2 HE2 sing N N 118 +GLU OXT HXT sing N N 119 +GLY N CA sing N N 120 +GLY N H sing N N 121 +GLY N H2 sing N N 122 +GLY CA C sing N N 123 +GLY CA HA2 sing N N 124 +GLY CA HA3 sing N N 125 +GLY C O doub N N 126 +GLY C OXT sing N N 127 +GLY OXT HXT sing N N 128 +HIS N CA sing N N 129 +HIS N H sing N N 130 +HIS N H2 sing N N 131 +HIS CA C sing N N 132 +HIS CA CB sing N N 133 +HIS CA HA sing N N 134 +HIS C O doub N N 135 +HIS C OXT sing N N 136 +HIS CB CG sing N N 137 +HIS CB HB2 sing N N 138 +HIS CB HB3 sing N N 139 +HIS CG ND1 sing Y N 140 +HIS CG CD2 doub Y N 141 +HIS ND1 CE1 doub Y N 142 +HIS ND1 HD1 sing N N 143 +HIS CD2 NE2 sing Y N 144 +HIS CD2 HD2 sing N N 145 +HIS CE1 NE2 sing Y N 146 +HIS CE1 HE1 sing N N 147 +HIS NE2 HE2 sing N N 148 +HIS OXT HXT sing N N 149 +HOH O H1 sing N N 150 +HOH O H2 sing N N 151 +ILE N CA sing N N 152 +ILE N H sing N N 153 +ILE N H2 sing N N 154 +ILE CA C sing N N 155 +ILE CA CB sing N N 156 +ILE CA HA sing N N 157 +ILE C O doub N N 158 +ILE C OXT sing N N 159 +ILE CB CG1 sing N N 160 +ILE CB CG2 sing N N 161 +ILE CB HB sing N N 162 +ILE CG1 CD1 sing N N 163 +ILE CG1 HG12 sing N N 164 +ILE CG1 HG13 sing N N 165 +ILE CG2 HG21 sing N N 166 +ILE CG2 HG22 sing N N 167 +ILE CG2 HG23 sing N N 168 +ILE CD1 HD11 sing N N 169 +ILE CD1 HD12 sing N N 170 +ILE CD1 HD13 sing N N 171 +ILE OXT HXT sing N N 172 +LEU N CA sing N N 173 +LEU N H sing N N 174 +LEU N H2 sing N N 175 +LEU CA C sing N N 176 +LEU CA CB sing N N 177 +LEU CA HA sing N N 178 +LEU C O doub N N 179 +LEU C OXT sing N N 180 +LEU CB CG sing N N 181 +LEU CB HB2 sing N N 182 +LEU CB HB3 sing N N 183 +LEU CG CD1 sing N N 184 +LEU CG CD2 sing N N 185 +LEU CG HG sing N N 186 +LEU CD1 HD11 sing N N 187 +LEU CD1 HD12 sing N N 188 +LEU CD1 HD13 sing N N 189 +LEU CD2 HD21 sing N N 190 +LEU CD2 HD22 sing N N 191 +LEU CD2 HD23 sing N N 192 +LEU OXT HXT sing N N 193 +LYS N CA sing N N 194 +LYS N H sing N N 195 +LYS N H2 sing N N 196 +LYS CA C sing N N 197 +LYS CA CB sing N N 198 +LYS CA HA sing N N 199 +LYS C O doub N N 200 +LYS C OXT sing N N 201 +LYS CB CG sing N N 202 +LYS CB HB2 sing N N 203 +LYS CB HB3 sing N N 204 +LYS CG CD sing N N 205 +LYS CG HG2 sing N N 206 +LYS CG HG3 sing N N 207 +LYS CD CE sing N N 208 +LYS CD HD2 sing N N 209 +LYS CD HD3 sing N N 210 +LYS CE NZ sing N N 211 +LYS CE HE2 sing N N 212 +LYS CE HE3 sing N N 213 +LYS NZ HZ1 sing N N 214 +LYS NZ HZ2 sing N N 215 +LYS NZ HZ3 sing N N 216 +LYS OXT HXT sing N N 217 +MET N CA sing N N 218 +MET N H sing N N 219 +MET N H2 sing N N 220 +MET CA C sing N N 221 +MET CA CB sing N N 222 +MET CA HA sing N N 223 +MET C O doub N N 224 +MET C OXT sing N N 225 +MET CB CG sing N N 226 +MET CB HB2 sing N N 227 +MET CB HB3 sing N N 228 +MET CG SD sing N N 229 +MET CG HG2 sing N N 230 +MET CG HG3 sing N N 231 +MET SD CE sing N N 232 +MET CE HE1 sing N N 233 +MET CE HE2 sing N N 234 +MET CE HE3 sing N N 235 +MET OXT HXT sing N N 236 +PHE N CA sing N N 237 +PHE N H sing N N 238 +PHE N H2 sing N N 239 +PHE CA C sing N N 240 +PHE CA CB sing N N 241 +PHE CA HA sing N N 242 +PHE C O doub N N 243 +PHE C OXT sing N N 244 +PHE CB CG sing N N 245 +PHE CB HB2 sing N N 246 +PHE CB HB3 sing N N 247 +PHE CG CD1 doub Y N 248 +PHE CG CD2 sing Y N 249 +PHE CD1 CE1 sing Y N 250 +PHE CD1 HD1 sing N N 251 +PHE CD2 CE2 doub Y N 252 +PHE CD2 HD2 sing N N 253 +PHE CE1 CZ doub Y N 254 +PHE CE1 HE1 sing N N 255 +PHE CE2 CZ sing Y N 256 +PHE CE2 HE2 sing N N 257 +PHE CZ HZ sing N N 258 +PHE OXT HXT sing N N 259 +PRO N CA sing N N 260 +PRO N CD sing N N 261 +PRO N H sing N N 262 +PRO CA C sing N N 263 +PRO CA CB sing N N 264 +PRO CA HA sing N N 265 +PRO C O doub N N 266 +PRO C OXT sing N N 267 +PRO CB CG sing N N 268 +PRO CB HB2 sing N N 269 +PRO CB HB3 sing N N 270 +PRO CG CD sing N N 271 +PRO CG HG2 sing N N 272 +PRO CG HG3 sing N N 273 +PRO CD HD2 sing N N 274 +PRO CD HD3 sing N N 275 +PRO OXT HXT sing N N 276 +SER N CA sing N N 277 +SER N H sing N N 278 +SER N H2 sing N N 279 +SER CA C sing N N 280 +SER CA CB sing N N 281 +SER CA HA sing N N 282 +SER C O doub N N 283 +SER C OXT sing N N 284 +SER CB OG sing N N 285 +SER CB HB2 sing N N 286 +SER CB HB3 sing N N 287 +SER OG HG sing N N 288 +SER OXT HXT sing N N 289 +THR N CA sing N N 290 +THR N H sing N N 291 +THR N H2 sing N N 292 +THR CA C sing N N 293 +THR CA CB sing N N 294 +THR CA HA sing N N 295 +THR C O doub N N 296 +THR C OXT sing N N 297 +THR CB OG1 sing N N 298 +THR CB CG2 sing N N 299 +THR CB HB sing N N 300 +THR OG1 HG1 sing N N 301 +THR CG2 HG21 sing N N 302 +THR CG2 HG22 sing N N 303 +THR CG2 HG23 sing N N 304 +THR OXT HXT sing N N 305 +TRP N CA sing N N 306 +TRP N H sing N N 307 +TRP N H2 sing N N 308 +TRP CA C sing N N 309 +TRP CA CB sing N N 310 +TRP CA HA sing N N 311 +TRP C O doub N N 312 +TRP C OXT sing N N 313 +TRP CB CG sing N N 314 +TRP CB HB2 sing N N 315 +TRP CB HB3 sing N N 316 +TRP CG CD1 doub Y N 317 +TRP CG CD2 sing Y N 318 +TRP CD1 NE1 sing Y N 319 +TRP CD1 HD1 sing N N 320 +TRP CD2 CE2 doub Y N 321 +TRP CD2 CE3 sing Y N 322 +TRP NE1 CE2 sing Y N 323 +TRP NE1 HE1 sing N N 324 +TRP CE2 CZ2 sing Y N 325 +TRP CE3 CZ3 doub Y N 326 +TRP CE3 HE3 sing N N 327 +TRP CZ2 CH2 doub Y N 328 +TRP CZ2 HZ2 sing N N 329 +TRP CZ3 CH2 sing Y N 330 +TRP CZ3 HZ3 sing N N 331 +TRP CH2 HH2 sing N N 332 +TRP OXT HXT sing N N 333 +TYR N CA sing N N 334 +TYR N H sing N N 335 +TYR N H2 sing N N 336 +TYR CA C sing N N 337 +TYR CA CB sing N N 338 +TYR CA HA sing N N 339 +TYR C O doub N N 340 +TYR C OXT sing N N 341 +TYR CB CG sing N N 342 +TYR CB HB2 sing N N 343 +TYR CB HB3 sing N N 344 +TYR CG CD1 doub Y N 345 +TYR CG CD2 sing Y N 346 +TYR CD1 CE1 sing Y N 347 +TYR CD1 HD1 sing N N 348 +TYR CD2 CE2 doub Y N 349 +TYR CD2 HD2 sing N N 350 +TYR CE1 CZ doub Y N 351 +TYR CE1 HE1 sing N N 352 +TYR CE2 CZ sing Y N 353 +TYR CE2 HE2 sing N N 354 +TYR CZ OH sing N N 355 +TYR OH HH sing N N 356 +TYR OXT HXT sing N N 357 +VAL N CA sing N N 358 +VAL N H sing N N 359 +VAL N H2 sing N N 360 +VAL CA C sing N N 361 +VAL CA CB sing N N 362 +VAL CA HA sing N N 363 +VAL C O doub N N 364 +VAL C OXT sing N N 365 +VAL CB CG1 sing N N 366 +VAL CB CG2 sing N N 367 +VAL CB HB sing N N 368 +VAL CG1 HG11 sing N N 369 +VAL CG1 HG12 sing N N 370 +VAL CG1 HG13 sing N N 371 +VAL CG2 HG21 sing N N 372 +VAL CG2 HG22 sing N N 373 +VAL CG2 HG23 sing N N 374 +VAL OXT HXT sing N N 375 +# +_atom_sites.entry_id 1KTN +_atom_sites.fract_transf_matrix[1][1] 0.015983 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.005808 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.018671 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.013077 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . MET A 1 1 ? 18.268 21.675 -4.704 1.00 24.35 ? 1 MET A N 1 +ATOM 2 C CA . MET A 1 1 ? 17.473 20.620 -5.398 1.00 24.18 ? 1 MET A CA 1 +ATOM 3 C C . MET A 1 1 ? 18.135 19.255 -5.230 1.00 23.74 ? 1 MET A C 1 +ATOM 4 O O . MET A 1 1 ? 18.921 19.044 -4.309 1.00 23.70 ? 1 MET A O 1 +ATOM 5 C CB . MET A 1 1 ? 17.352 20.941 -6.890 1.00 24.80 ? 1 MET A CB 1 +ATOM 6 C CG . MET A 1 1 ? 18.682 20.945 -7.635 1.00 25.50 ? 1 MET A CG 1 +ATOM 7 S SD . MET A 1 1 ? 18.473 20.979 -9.426 1.00 26.82 ? 1 MET A SD 1 +ATOM 8 C CE . MET A 1 1 ? 18.396 22.741 -9.733 1.00 26.45 ? 1 MET A CE 1 +ATOM 9 N N . THR A 1 2 ? 17.813 18.334 -6.132 1.00 23.16 ? 2 THR A N 1 +ATOM 10 C CA . THR A 1 2 ? 18.379 16.992 -6.089 1.00 22.44 ? 2 THR A CA 1 +ATOM 11 C C . THR A 1 2 ? 19.884 17.048 -6.328 1.00 21.79 ? 2 THR A C 1 +ATOM 12 O O . THR A 1 2 ? 20.665 16.531 -5.529 1.00 21.79 ? 2 THR A O 1 +ATOM 13 C CB . THR A 1 2 ? 17.744 16.089 -7.160 1.00 22.58 ? 2 THR A CB 1 +ATOM 14 O OG1 . THR A 1 2 ? 16.317 16.140 -7.042 1.00 22.80 ? 2 THR A OG1 1 +ATOM 15 C CG2 . THR A 1 2 ? 18.211 14.651 -6.987 1.00 22.60 ? 2 THR A CG2 1 +ATOM 16 N N . ASP A 1 3 ? 20.288 17.675 -7.430 1.00 20.98 ? 3 ASP A N 1 +ATOM 17 C CA . ASP A 1 3 ? 21.705 17.790 -7.755 1.00 20.03 ? 3 ASP A CA 1 +ATOM 18 C C . ASP A 1 3 ? 22.448 18.509 -6.635 1.00 19.09 ? 3 ASP A C 1 +ATOM 19 O O . ASP A 1 3 ? 23.529 18.087 -6.226 1.00 18.92 ? 3 ASP A O 1 +ATOM 20 C CB . ASP A 1 3 ? 21.905 18.554 -9.067 1.00 20.57 ? 3 ASP A CB 1 +ATOM 21 C CG . ASP A 1 3 ? 21.375 17.798 -10.274 1.00 20.94 ? 3 ASP A CG 1 +ATOM 22 O OD1 . ASP A 1 3 ? 21.707 16.603 -10.427 1.00 21.21 ? 3 ASP A OD1 1 +ATOM 23 O OD2 . ASP A 1 3 ? 20.636 18.405 -11.080 1.00 21.46 ? 3 ASP A OD2 1 +ATOM 24 N N . LEU A 1 4 ? 21.860 19.595 -6.142 1.00 18.00 ? 4 LEU A N 1 +ATOM 25 C CA . LEU A 1 4 ? 22.475 20.373 -5.072 1.00 16.80 ? 4 LEU A CA 1 +ATOM 26 C C . LEU A 1 4 ? 22.657 19.542 -3.808 1.00 16.10 ? 4 LEU A C 1 +ATOM 27 O O . LEU A 1 4 ? 23.699 19.622 -3.156 1.00 15.76 ? 4 LEU A O 1 +ATOM 28 C CB . LEU A 1 4 ? 21.632 21.614 -4.760 1.00 16.72 ? 4 LEU A CB 1 +ATOM 29 C CG . LEU A 1 4 ? 22.188 22.554 -3.687 1.00 16.58 ? 4 LEU A CG 1 +ATOM 30 C CD1 . LEU A 1 4 ? 23.618 22.958 -4.032 1.00 16.41 ? 4 LEU A CD1 1 +ATOM 31 C CD2 . LEU A 1 4 ? 21.296 23.781 -3.581 1.00 16.72 ? 4 LEU A CD2 1 +ATOM 32 N N . LYS A 1 5 ? 21.646 18.753 -3.452 1.00 15.26 ? 5 LYS A N 1 +ATOM 33 C CA . LYS A 1 5 ? 21.738 17.911 -2.264 1.00 14.53 ? 5 LYS A CA 1 +ATOM 34 C C . LYS A 1 5 ? 22.850 16.884 -2.432 1.00 13.75 ? 5 LYS A C 1 +ATOM 35 O O . LYS A 1 5 ? 23.616 16.636 -1.506 1.00 13.41 ? 5 LYS A O 1 +ATOM 36 C CB . LYS A 1 5 ? 20.416 17.185 -1.999 1.00 15.00 ? 5 LYS A CB 1 +ATOM 37 C CG . LYS A 1 5 ? 19.336 18.052 -1.373 1.00 15.64 ? 5 LYS A CG 1 +ATOM 38 C CD . LYS A 1 5 ? 18.171 17.196 -0.893 1.00 16.20 ? 5 LYS A CD 1 +ATOM 39 C CE . LYS A 1 5 ? 17.178 18.011 -0.084 1.00 16.53 ? 5 LYS A CE 1 +ATOM 40 N NZ . LYS A 1 5 ? 16.090 17.164 0.479 1.00 17.09 ? 5 LYS A NZ 1 +ATOM 41 N N . ALA A 1 6 ? 22.931 16.290 -3.618 1.00 13.02 ? 6 ALA A N 1 +ATOM 42 C CA . ALA A 1 6 ? 23.954 15.290 -3.899 1.00 12.52 ? 6 ALA A CA 1 +ATOM 43 C C . ALA A 1 6 ? 25.356 15.883 -3.796 1.00 12.04 ? 6 ALA A C 1 +ATOM 44 O O . ALA A 1 6 ? 26.250 15.277 -3.204 1.00 11.96 ? 6 ALA A O 1 +ATOM 45 C CB . ALA A 1 6 ? 23.738 14.698 -5.286 1.00 12.58 ? 6 ALA A CB 1 +ATOM 46 N N . SER A 1 7 ? 25.555 17.066 -4.372 1.00 11.47 ? 7 SER A N 1 +ATOM 47 C CA . SER A 1 7 ? 26.863 17.711 -4.324 1.00 10.97 ? 7 SER A CA 1 +ATOM 48 C C . SER A 1 7 ? 27.209 18.125 -2.899 1.00 10.46 ? 7 SER A C 1 +ATOM 49 O O . SER A 1 7 ? 28.374 18.105 -2.508 1.00 10.09 ? 7 SER A O 1 +ATOM 50 C CB . SER A 1 7 ? 26.903 18.938 -5.246 1.00 11.25 ? 7 SER A CB 1 +ATOM 51 O OG . SER A 1 7 ? 26.014 19.954 -4.817 1.00 12.06 ? 7 SER A OG 1 +ATOM 52 N N . SER A 1 8 ? 26.196 18.486 -2.119 1.00 9.84 ? 8 SER A N 1 +ATOM 53 C CA . SER A 1 8 ? 26.418 18.904 -0.740 1.00 9.42 ? 8 SER A CA 1 +ATOM 54 C C . SER A 1 8 ? 26.921 17.763 0.137 1.00 9.14 ? 8 SER A C 1 +ATOM 55 O O . SER A 1 8 ? 27.819 17.957 0.954 1.00 8.86 ? 8 SER A O 1 +ATOM 56 C CB . SER A 1 8 ? 25.134 19.490 -0.151 1.00 9.51 ? 8 SER A CB 1 +ATOM 57 O OG . SER A 1 8 ? 24.778 20.678 -0.840 1.00 9.67 ? 8 SER A OG 1 +ATOM 58 N N . LEU A 1 9 ? 26.350 16.573 -0.018 1.00 8.83 ? 9 LEU A N 1 +ATOM 59 C CA . LEU A 1 9 ? 26.808 15.447 0.786 1.00 8.59 ? 9 LEU A CA 1 +ATOM 60 C C . LEU A 1 9 ? 28.223 15.080 0.351 1.00 8.47 ? 9 LEU A C 1 +ATOM 61 O O . LEU A 1 9 ? 29.078 14.748 1.174 1.00 8.31 ? 9 LEU A O 1 +ATOM 62 C CB . LEU A 1 9 ? 25.885 14.237 0.612 1.00 8.66 ? 9 LEU A CB 1 +ATOM 63 C CG . LEU A 1 9 ? 26.264 13.005 1.444 1.00 8.48 ? 9 LEU A CG 1 +ATOM 64 C CD1 . LEU A 1 9 ? 26.225 13.334 2.935 1.00 8.56 ? 9 LEU A CD1 1 +ATOM 65 C CD2 . LEU A 1 9 ? 25.301 11.867 1.128 1.00 8.78 ? 9 LEU A CD2 1 +ATOM 66 N N . ARG A 1 10 ? 28.467 15.151 -0.951 1.00 8.28 ? 10 ARG A N 1 +ATOM 67 C CA . ARG A 1 10 ? 29.777 14.830 -1.495 1.00 8.22 ? 10 ARG A CA 1 +ATOM 68 C C . ARG A 1 10 ? 30.827 15.796 -0.950 1.00 7.80 ? 10 ARG A C 1 +ATOM 69 O O . ARG A 1 10 ? 31.911 15.382 -0.534 1.00 7.64 ? 10 ARG A O 1 +ATOM 70 C CB . ARG A 1 10 ? 29.737 14.913 -3.020 1.00 8.99 ? 10 ARG A CB 1 +ATOM 71 C CG . ARG A 1 10 ? 30.988 14.396 -3.695 1.00 9.92 ? 10 ARG A CG 1 +ATOM 72 C CD . ARG A 1 10 ? 30.940 14.625 -5.192 1.00 11.09 ? 10 ARG A CD 1 +ATOM 73 N NE . ARG A 1 10 ? 32.096 14.032 -5.851 1.00 12.26 ? 10 ARG A NE 1 +ATOM 74 C CZ . ARG A 1 10 ? 32.449 14.281 -7.107 1.00 12.83 ? 10 ARG A CZ 1 +ATOM 75 N NH1 . ARG A 1 10 ? 31.733 15.117 -7.844 1.00 13.25 ? 10 ARG A NH1 1 +ATOM 76 N NH2 . ARG A 1 10 ? 33.518 13.690 -7.623 1.00 13.48 ? 10 ARG A NH2 1 +ATOM 77 N N . ALA A 1 11 ? 30.496 17.084 -0.950 1.00 7.39 ? 11 ALA A N 1 +ATOM 78 C CA . ALA A 1 11 ? 31.402 18.113 -0.452 1.00 7.07 ? 11 ALA A CA 1 +ATOM 79 C C . ALA A 1 11 ? 31.665 17.944 1.043 1.00 6.84 ? 11 ALA A C 1 +ATOM 80 O O . ALA A 1 11 ? 32.788 18.145 1.510 1.00 6.86 ? 11 ALA A O 1 +ATOM 81 C CB . ALA A 1 11 ? 30.823 19.497 -0.728 1.00 7.06 ? 11 ALA A CB 1 +ATOM 82 N N . LEU A 1 12 ? 30.628 17.577 1.791 1.00 6.69 ? 12 LEU A N 1 +ATOM 83 C CA . LEU A 1 12 ? 30.751 17.375 3.230 1.00 6.47 ? 12 LEU A CA 1 +ATOM 84 C C . LEU A 1 12 ? 31.800 16.303 3.515 1.00 6.37 ? 12 LEU A C 1 +ATOM 85 O O . LEU A 1 12 ? 32.662 16.470 4.379 1.00 6.18 ? 12 LEU A O 1 +ATOM 86 C CB . LEU A 1 12 ? 29.390 16.962 3.815 1.00 6.61 ? 12 LEU A CB 1 +ATOM 87 C CG . LEU A 1 12 ? 29.277 16.690 5.322 1.00 6.67 ? 12 LEU A CG 1 +ATOM 88 C CD1 . LEU A 1 12 ? 27.830 16.857 5.765 1.00 6.78 ? 12 LEU A CD1 1 +ATOM 89 C CD2 . LEU A 1 12 ? 29.778 15.289 5.648 1.00 6.67 ? 12 LEU A CD2 1 +ATOM 90 N N . LYS A 1 13 ? 31.730 15.208 2.768 1.00 6.41 ? 13 LYS A N 1 +ATOM 91 C CA . LYS A 1 13 ? 32.658 14.102 2.949 1.00 6.68 ? 13 LYS A CA 1 +ATOM 92 C C . LYS A 1 13 ? 34.074 14.385 2.443 1.00 6.51 ? 13 LYS A C 1 +ATOM 93 O O . LYS A 1 13 ? 34.990 13.594 2.674 1.00 6.72 ? 13 LYS A O 1 +ATOM 94 C CB . LYS A 1 13 ? 32.088 12.844 2.289 1.00 7.27 ? 13 LYS A CB 1 +ATOM 95 C CG . LYS A 1 13 ? 30.814 12.354 2.974 1.00 7.91 ? 13 LYS A CG 1 +ATOM 96 C CD . LYS A 1 13 ? 30.278 11.076 2.356 1.00 8.87 ? 13 LYS A CD 1 +ATOM 97 C CE . LYS A 1 13 ? 29.075 10.570 3.139 1.00 9.25 ? 13 LYS A CE 1 +ATOM 98 N NZ . LYS A 1 13 ? 28.581 9.275 2.599 1.00 10.01 ? 13 LYS A NZ 1 +ATOM 99 N N . LEU A 1 14 ? 34.250 15.518 1.768 1.00 6.44 ? 14 LEU A N 1 +ATOM 100 C CA . LEU A 1 14 ? 35.555 15.921 1.247 1.00 6.14 ? 14 LEU A CA 1 +ATOM 101 C C . LEU A 1 14 ? 36.091 17.123 2.022 1.00 6.26 ? 14 LEU A C 1 +ATOM 102 O O . LEU A 1 14 ? 37.135 17.674 1.682 1.00 5.91 ? 14 LEU A O 1 +ATOM 103 C CB . LEU A 1 14 ? 35.448 16.296 -0.235 1.00 6.29 ? 14 LEU A CB 1 +ATOM 104 C CG . LEU A 1 14 ? 35.114 15.189 -1.234 1.00 6.46 ? 14 LEU A CG 1 +ATOM 105 C CD1 . LEU A 1 14 ? 34.897 15.801 -2.611 1.00 6.78 ? 14 LEU A CD1 1 +ATOM 106 C CD2 . LEU A 1 14 ? 36.236 14.163 -1.261 1.00 6.53 ? 14 LEU A CD2 1 +ATOM 107 N N . MET A 1 15 ? 35.383 17.528 3.067 1.00 6.13 ? 15 MET A N 1 +ATOM 108 C CA . MET A 1 15 ? 35.803 18.686 3.843 1.00 6.53 ? 15 MET A CA 1 +ATOM 109 C C . MET A 1 15 ? 36.959 18.486 4.812 1.00 6.29 ? 15 MET A C 1 +ATOM 110 O O . MET A 1 15 ? 37.052 17.465 5.494 1.00 6.15 ? 15 MET A O 1 +ATOM 111 C CB . MET A 1 15 ? 34.628 19.247 4.659 1.00 7.57 ? 15 MET A CB 1 +ATOM 112 C CG . MET A 1 15 ? 33.729 20.241 3.937 1.00 8.83 ? 15 MET A CG 1 +ATOM 113 S SD . MET A 1 15 ? 32.572 21.057 5.073 1.00 10.70 ? 15 MET A SD 1 +ATOM 114 C CE . MET A 1 15 ? 33.699 21.833 6.165 1.00 9.41 ? 15 MET A CE 1 +ATOM 115 N N . ASP A 1 16 ? 37.852 19.470 4.833 1.00 5.94 ? 16 ASP A N 1 +ATOM 116 C CA . ASP A 1 16 ? 38.936 19.516 5.806 1.00 5.71 ? 16 ASP A CA 1 +ATOM 117 C C . ASP A 1 16 ? 38.303 20.576 6.715 1.00 5.53 ? 16 ASP A C 1 +ATOM 118 O O . ASP A 1 16 ? 38.476 21.774 6.484 1.00 5.78 ? 16 ASP A O 1 +ATOM 119 C CB . ASP A 1 16 ? 40.233 20.065 5.195 1.00 5.94 ? 16 ASP A CB 1 +ATOM 120 C CG . ASP A 1 16 ? 41.118 18.979 4.596 1.00 5.88 ? 16 ASP A CG 1 +ATOM 121 O OD1 . ASP A 1 16 ? 40.659 17.825 4.469 1.00 6.14 ? 16 ASP A OD1 1 +ATOM 122 O OD2 . ASP A 1 16 ? 42.282 19.286 4.247 1.00 5.94 ? 16 ASP A OD2 1 +ATOM 123 N N . LEU A 1 17 ? 37.525 20.137 7.705 1.00 5.47 ? 17 LEU A N 1 +ATOM 124 C CA . LEU A 1 17 ? 36.846 21.059 8.620 1.00 5.63 ? 17 LEU A CA 1 +ATOM 125 C C . LEU A 1 17 ? 37.911 21.826 9.387 1.00 5.66 ? 17 LEU A C 1 +ATOM 126 O O . LEU A 1 17 ? 38.674 21.256 10.167 1.00 5.52 ? 17 LEU A O 1 +ATOM 127 C CB . LEU A 1 17 ? 35.924 20.289 9.565 1.00 6.04 ? 17 LEU A CB 1 +ATOM 128 C CG . LEU A 1 17 ? 35.071 21.154 10.498 1.00 6.51 ? 17 LEU A CG 1 +ATOM 129 C CD1 . LEU A 1 17 ? 34.223 22.132 9.697 1.00 7.02 ? 17 LEU A CD1 1 +ATOM 130 C CD2 . LEU A 1 17 ? 34.182 20.257 11.337 1.00 6.67 ? 17 LEU A CD2 1 +ATOM 131 N N . THR A 1 18 ? 37.911 23.137 9.193 1.00 5.90 ? 18 THR A N 1 +ATOM 132 C CA . THR A 1 18 ? 38.947 23.998 9.734 1.00 6.42 ? 18 THR A CA 1 +ATOM 133 C C . THR A 1 18 ? 38.674 25.029 10.820 1.00 6.79 ? 18 THR A C 1 +ATOM 134 O O . THR A 1 18 ? 37.605 25.628 10.886 1.00 7.10 ? 18 THR A O 1 +ATOM 135 C CB . THR A 1 18 ? 39.578 24.773 8.555 1.00 6.29 ? 18 THR A CB 1 +ATOM 136 O OG1 . THR A 1 18 ? 39.928 23.853 7.517 1.00 6.48 ? 18 THR A OG1 1 +ATOM 137 C CG2 . THR A 1 18 ? 40.812 25.544 8.991 1.00 6.67 ? 18 THR A CG2 1 +ATOM 138 N N . THR A 1 19 ? 39.683 25.220 11.664 1.00 7.28 ? 19 THR A N 1 +ATOM 139 C CA . THR A 1 19 ? 39.678 26.262 12.678 1.00 7.75 ? 19 THR A CA 1 +ATOM 140 C C . THR A 1 19 ? 41.148 26.630 12.840 1.00 7.81 ? 19 THR A C 1 +ATOM 141 O O . THR A 1 19 ? 41.978 25.805 13.232 1.00 7.62 ? 19 THR A O 1 +ATOM 142 C CB . THR A 1 19 ? 39.049 25.841 14.039 1.00 7.86 ? 19 THR A CB 1 +ATOM 143 O OG1 . THR A 1 19 ? 38.889 27.019 14.847 1.00 9.24 ? 19 THR A OG1 1 +ATOM 144 C CG2 . THR A 1 19 ? 39.917 24.835 14.786 1.00 8.70 ? 19 THR A CG2 1 +ATOM 145 N N . LEU A 1 20 ? 41.467 27.862 12.458 1.00 8.46 ? 20 LEU A N 1 +ATOM 146 C CA . LEU A 1 20 ? 42.824 28.388 12.535 1.00 9.21 ? 20 LEU A CA 1 +ATOM 147 C C . LEU A 1 20 ? 42.715 29.835 12.991 1.00 10.33 ? 20 LEU A C 1 +ATOM 148 O O . LEU A 1 20 ? 43.042 30.759 12.250 1.00 10.89 ? 20 LEU A O 1 +ATOM 149 C CB . LEU A 1 20 ? 43.496 28.318 11.158 1.00 8.87 ? 20 LEU A CB 1 +ATOM 150 C CG . LEU A 1 20 ? 43.723 26.917 10.577 1.00 8.44 ? 20 LEU A CG 1 +ATOM 151 C CD1 . LEU A 1 20 ? 44.128 27.018 9.114 1.00 8.43 ? 20 LEU A CD1 1 +ATOM 152 C CD2 . LEU A 1 20 ? 44.797 26.197 11.381 1.00 8.35 ? 20 LEU A CD2 1 +ATOM 153 N N . ASN A 1 21 ? 42.257 30.020 14.222 1.00 11.31 ? 21 ASN A N 1 +ATOM 154 C CA . ASN A 1 21 ? 42.068 31.351 14.775 1.00 12.50 ? 21 ASN A CA 1 +ATOM 155 C C . ASN A 1 21 ? 43.061 31.638 15.886 1.00 13.11 ? 21 ASN A C 1 +ATOM 156 O O . ASN A 1 21 ? 43.581 30.723 16.525 1.00 13.04 ? 21 ASN A O 1 +ATOM 157 C CB . ASN A 1 21 ? 40.646 31.478 15.316 1.00 12.99 ? 21 ASN A CB 1 +ATOM 158 C CG . ASN A 1 21 ? 39.602 31.082 14.296 1.00 13.46 ? 21 ASN A CG 1 +ATOM 159 O OD1 . ASN A 1 21 ? 38.670 30.338 14.601 1.00 14.25 ? 21 ASN A OD1 1 +ATOM 160 N ND2 . ASN A 1 21 ? 39.750 31.579 13.075 1.00 13.74 ? 21 ASN A ND2 1 +ATOM 161 N N . ASP A 1 22 ? 43.309 32.920 16.122 1.00 13.99 ? 22 ASP A N 1 +ATOM 162 C CA . ASP A 1 22 ? 44.244 33.327 17.156 1.00 14.89 ? 22 ASP A CA 1 +ATOM 163 C C . ASP A 1 22 ? 43.703 33.013 18.546 1.00 14.97 ? 22 ASP A C 1 +ATOM 164 O O . ASP A 1 22 ? 44.467 32.929 19.506 1.00 15.38 ? 22 ASP A O 1 +ATOM 165 C CB . ASP A 1 22 ? 44.539 34.823 17.042 1.00 15.80 ? 22 ASP A CB 1 +ATOM 166 C CG . ASP A 1 22 ? 45.106 35.201 15.691 1.00 16.67 ? 22 ASP A CG 1 +ATOM 167 O OD1 . ASP A 1 22 ? 46.038 34.511 15.225 1.00 17.35 ? 22 ASP A OD1 1 +ATOM 168 O OD2 . ASP A 1 22 ? 44.625 36.188 15.097 1.00 17.60 ? 22 ASP A OD2 1 +ATOM 169 N N . ASP A 1 23 ? 42.390 32.830 18.649 1.00 14.96 ? 23 ASP A N 1 +ATOM 170 C CA . ASP A 1 23 ? 41.770 32.538 19.937 1.00 14.92 ? 23 ASP A CA 1 +ATOM 171 C C . ASP A 1 23 ? 41.379 31.071 20.091 1.00 14.53 ? 23 ASP A C 1 +ATOM 172 O O . ASP A 1 23 ? 40.539 30.727 20.920 1.00 14.36 ? 23 ASP A O 1 +ATOM 173 C CB . ASP A 1 23 ? 40.546 33.442 20.147 1.00 15.81 ? 23 ASP A CB 1 +ATOM 174 C CG . ASP A 1 23 ? 39.391 33.094 19.229 1.00 16.44 ? 23 ASP A CG 1 +ATOM 175 O OD1 . ASP A 1 23 ? 39.642 32.628 18.098 1.00 17.10 ? 23 ASP A OD1 1 +ATOM 176 O OD2 . ASP A 1 23 ? 38.226 33.301 19.634 1.00 17.35 ? 23 ASP A OD2 1 +ATOM 177 N N . ASP A 1 24 ? 41.999 30.203 19.297 1.00 13.84 ? 24 ASP A N 1 +ATOM 178 C CA . ASP A 1 24 ? 41.707 28.778 19.382 1.00 13.52 ? 24 ASP A CA 1 +ATOM 179 C C . ASP A 1 24 ? 42.186 28.186 20.705 1.00 12.93 ? 24 ASP A C 1 +ATOM 180 O O . ASP A 1 24 ? 43.186 28.625 21.277 1.00 12.71 ? 24 ASP A O 1 +ATOM 181 C CB . ASP A 1 24 ? 42.355 28.031 18.214 1.00 13.95 ? 24 ASP A CB 1 +ATOM 182 C CG . ASP A 1 24 ? 41.339 27.563 17.194 1.00 14.69 ? 24 ASP A CG 1 +ATOM 183 O OD1 . ASP A 1 24 ? 40.576 28.409 16.684 1.00 14.75 ? 24 ASP A OD1 1 +ATOM 184 O OD2 . ASP A 1 24 ? 41.303 26.344 16.905 1.00 15.69 ? 24 ASP A OD2 1 +ATOM 185 N N . THR A 1 25 ? 41.461 27.180 21.182 1.00 12.40 ? 25 THR A N 1 +ATOM 186 C CA . THR A 1 25 ? 41.780 26.508 22.438 1.00 12.17 ? 25 THR A CA 1 +ATOM 187 C C . THR A 1 25 ? 41.482 25.026 22.286 1.00 12.00 ? 25 THR A C 1 +ATOM 188 O O . THR A 1 25 ? 40.868 24.614 21.304 1.00 11.61 ? 25 THR A O 1 +ATOM 189 C CB . THR A 1 25 ? 40.910 27.028 23.590 1.00 12.24 ? 25 THR A CB 1 +ATOM 190 O OG1 . THR A 1 25 ? 39.531 26.783 23.283 1.00 12.44 ? 25 THR A OG1 1 +ATOM 191 C CG2 . THR A 1 25 ? 41.131 28.518 23.803 1.00 12.54 ? 25 THR A CG2 1 +ATOM 192 N N . ASP A 1 26 ? 41.905 24.227 23.262 1.00 11.99 ? 26 ASP A N 1 +ATOM 193 C CA . ASP A 1 26 ? 41.649 22.793 23.213 1.00 12.16 ? 26 ASP A CA 1 +ATOM 194 C C . ASP A 1 26 ? 40.141 22.570 23.161 1.00 12.32 ? 26 ASP A C 1 +ATOM 195 O O . ASP A 1 26 ? 39.654 21.709 22.430 1.00 12.05 ? 26 ASP A O 1 +ATOM 196 C CB . ASP A 1 26 ? 42.224 22.086 24.449 1.00 12.39 ? 26 ASP A CB 1 +ATOM 197 C CG . ASP A 1 26 ? 43.742 22.107 24.490 1.00 12.82 ? 26 ASP A CG 1 +ATOM 198 O OD1 . ASP A 1 26 ? 44.376 22.309 23.434 1.00 13.04 ? 26 ASP A OD1 1 +ATOM 199 O OD2 . ASP A 1 26 ? 44.309 21.904 25.586 1.00 13.17 ? 26 ASP A OD2 1 +ATOM 200 N N . GLU A 1 27 ? 39.405 23.361 23.939 1.00 12.39 ? 27 GLU A N 1 +ATOM 201 C CA . GLU A 1 27 ? 37.951 23.256 23.986 1.00 12.67 ? 27 GLU A CA 1 +ATOM 202 C C . GLU A 1 27 ? 37.314 23.492 22.619 1.00 12.11 ? 27 GLU A C 1 +ATOM 203 O O . GLU A 1 27 ? 36.417 22.755 22.205 1.00 11.95 ? 27 GLU A O 1 +ATOM 204 C CB . GLU A 1 27 ? 37.383 24.260 24.996 1.00 13.74 ? 27 GLU A CB 1 +ATOM 205 C CG . GLU A 1 27 ? 35.865 24.371 24.975 1.00 15.61 ? 27 GLU A CG 1 +ATOM 206 C CD . GLU A 1 27 ? 35.331 25.371 25.987 1.00 16.55 ? 27 GLU A CD 1 +ATOM 207 O OE1 . GLU A 1 27 ? 35.743 26.551 25.940 1.00 17.47 ? 27 GLU A OE1 1 +ATOM 208 O OE2 . GLU A 1 27 ? 34.495 24.975 26.828 1.00 17.63 ? 27 GLU A OE2 1 +ATOM 209 N N . LYS A 1 28 ? 37.774 24.524 21.920 1.00 11.64 ? 28 LYS A N 1 +ATOM 210 C CA . LYS A 1 28 ? 37.228 24.839 20.606 1.00 11.35 ? 28 LYS A CA 1 +ATOM 211 C C . LYS A 1 28 ? 37.568 23.761 19.587 1.00 10.66 ? 28 LYS A C 1 +ATOM 212 O O . LYS A 1 28 ? 36.783 23.488 18.681 1.00 10.64 ? 28 LYS A O 1 +ATOM 213 C CB . LYS A 1 28 ? 37.737 26.199 20.132 1.00 11.98 ? 28 LYS A CB 1 +ATOM 214 C CG . LYS A 1 28 ? 37.184 27.350 20.956 1.00 12.99 ? 28 LYS A CG 1 +ATOM 215 C CD . LYS A 1 28 ? 37.761 28.689 20.538 1.00 13.69 ? 28 LYS A CD 1 +ATOM 216 C CE . LYS A 1 28 ? 37.241 29.789 21.447 1.00 14.39 ? 28 LYS A CE 1 +ATOM 217 N NZ . LYS A 1 28 ? 37.818 31.117 21.121 1.00 15.20 ? 28 LYS A NZ 1 +ATOM 218 N N . VAL A 1 29 ? 38.735 23.145 19.733 1.00 10.07 ? 29 VAL A N 1 +ATOM 219 C CA . VAL A 1 29 ? 39.128 22.090 18.812 1.00 9.57 ? 29 VAL A CA 1 +ATOM 220 C C . VAL A 1 29 ? 38.304 20.836 19.093 1.00 9.50 ? 29 VAL A C 1 +ATOM 221 O O . VAL A 1 29 ? 37.926 20.118 18.172 1.00 9.18 ? 29 VAL A O 1 +ATOM 222 C CB . VAL A 1 29 ? 40.636 21.785 18.927 1.00 9.45 ? 29 VAL A CB 1 +ATOM 223 C CG1 . VAL A 1 29 ? 40.978 20.523 18.152 1.00 9.45 ? 29 VAL A CG1 1 +ATOM 224 C CG2 . VAL A 1 29 ? 41.434 22.964 18.387 1.00 9.49 ? 29 VAL A CG2 1 +ATOM 225 N N . ILE A 1 30 ? 38.019 20.580 20.368 1.00 9.40 ? 30 ILE A N 1 +ATOM 226 C CA . ILE A 1 30 ? 37.215 19.421 20.738 1.00 9.44 ? 30 ILE A CA 1 +ATOM 227 C C . ILE A 1 30 ? 35.822 19.590 20.132 1.00 9.38 ? 30 ILE A C 1 +ATOM 228 O O . ILE A 1 30 ? 35.227 18.634 19.631 1.00 9.38 ? 30 ILE A O 1 +ATOM 229 C CB . ILE A 1 30 ? 37.124 19.288 22.276 1.00 9.59 ? 30 ILE A CB 1 +ATOM 230 C CG1 . ILE A 1 30 ? 38.500 18.905 22.826 1.00 9.92 ? 30 ILE A CG1 1 +ATOM 231 C CG2 . ILE A 1 30 ? 36.069 18.256 22.663 1.00 9.99 ? 30 ILE A CG2 1 +ATOM 232 C CD1 . ILE A 1 30 ? 38.601 18.932 24.337 1.00 10.03 ? 30 ILE A CD1 1 +ATOM 233 N N . ALA A 1 31 ? 35.315 20.818 20.168 1.00 9.33 ? 31 ALA A N 1 +ATOM 234 C CA . ALA A 1 31 ? 34.005 21.118 19.601 1.00 9.24 ? 31 ALA A CA 1 +ATOM 235 C C . ALA A 1 31 ? 34.043 20.895 18.091 1.00 9.24 ? 31 ALA A C 1 +ATOM 236 O O . ALA A 1 31 ? 33.080 20.409 17.503 1.00 9.41 ? 31 ALA A O 1 +ATOM 237 C CB . ALA A 1 31 ? 33.615 22.558 19.906 1.00 9.31 ? 31 ALA A CB 1 +ATOM 238 N N . LEU A 1 32 ? 35.163 21.248 17.466 1.00 9.01 ? 32 LEU A N 1 +ATOM 239 C CA . LEU A 1 32 ? 35.309 21.074 16.026 1.00 9.04 ? 32 LEU A CA 1 +ATOM 240 C C . LEU A 1 32 ? 35.243 19.588 15.679 1.00 9.03 ? 32 LEU A C 1 +ATOM 241 O O . LEU A 1 32 ? 34.602 19.195 14.702 1.00 8.83 ? 32 LEU A O 1 +ATOM 242 C CB . LEU A 1 32 ? 36.644 21.653 15.552 1.00 9.36 ? 32 LEU A CB 1 +ATOM 243 C CG . LEU A 1 32 ? 36.791 21.751 14.031 1.00 9.68 ? 32 LEU A CG 1 +ATOM 244 C CD1 . LEU A 1 32 ? 35.905 22.876 13.512 1.00 10.32 ? 32 LEU A CD1 1 +ATOM 245 C CD2 . LEU A 1 32 ? 38.242 22.010 13.661 1.00 9.85 ? 32 LEU A CD2 1 +ATOM 246 N N . CYS A 1 33 ? 35.913 18.768 16.482 1.00 8.89 ? 33 CYS A N 1 +ATOM 247 C CA . CYS A 1 33 ? 35.915 17.328 16.259 1.00 9.05 ? 33 CYS A CA 1 +ATOM 248 C C . CYS A 1 33 ? 34.495 16.782 16.331 1.00 9.16 ? 33 CYS A C 1 +ATOM 249 O O . CYS A 1 33 ? 34.122 15.902 15.556 1.00 8.82 ? 33 CYS A O 1 +ATOM 250 C CB . CYS A 1 33 ? 36.794 16.623 17.297 1.00 9.15 ? 33 CYS A CB 1 +ATOM 251 S SG . CYS A 1 33 ? 38.565 16.936 17.109 1.00 9.69 ? 33 CYS A SG 1 +ATOM 252 N N . HIS A 1 34 ? 33.706 17.300 17.268 1.00 9.64 ? 34 HIS A N 1 +ATOM 253 C CA . HIS A 1 34 ? 32.326 16.853 17.417 1.00 10.27 ? 34 HIS A CA 1 +ATOM 254 C C . HIS A 1 34 ? 31.509 17.261 16.193 1.00 10.31 ? 34 HIS A C 1 +ATOM 255 O O . HIS A 1 34 ? 30.656 16.509 15.727 1.00 10.23 ? 34 HIS A O 1 +ATOM 256 C CB . HIS A 1 34 ? 31.711 17.454 18.685 1.00 11.02 ? 34 HIS A CB 1 +ATOM 257 C CG . HIS A 1 34 ? 32.350 16.974 19.952 1.00 12.13 ? 34 HIS A CG 1 +ATOM 258 N ND1 . HIS A 1 34 ? 32.121 17.570 21.173 1.00 12.79 ? 34 HIS A ND1 1 +ATOM 259 C CD2 . HIS A 1 34 ? 33.210 15.954 20.187 1.00 12.38 ? 34 HIS A CD2 1 +ATOM 260 C CE1 . HIS A 1 34 ? 32.811 16.939 22.106 1.00 12.76 ? 34 HIS A CE1 1 +ATOM 261 N NE2 . HIS A 1 34 ? 33.480 15.954 21.535 1.00 12.89 ? 34 HIS A NE2 1 +ATOM 262 N N . GLN A 1 35 ? 31.787 18.452 15.673 1.00 10.40 ? 35 GLN A N 1 +ATOM 263 C CA . GLN A 1 35 ? 31.086 18.962 14.501 1.00 10.60 ? 35 GLN A CA 1 +ATOM 264 C C . GLN A 1 35 ? 31.401 18.142 13.245 1.00 10.10 ? 35 GLN A C 1 +ATOM 265 O O . GLN A 1 35 ? 30.554 17.999 12.361 1.00 9.87 ? 35 GLN A O 1 +ATOM 266 C CB . GLN A 1 35 ? 31.453 20.435 14.274 1.00 11.70 ? 35 GLN A CB 1 +ATOM 267 C CG . GLN A 1 35 ? 30.858 21.044 13.014 1.00 13.49 ? 35 GLN A CG 1 +ATOM 268 C CD . GLN A 1 35 ? 31.169 22.526 12.861 1.00 14.27 ? 35 GLN A CD 1 +ATOM 269 O OE1 . GLN A 1 35 ? 32.246 22.992 13.241 1.00 15.40 ? 35 GLN A OE1 1 +ATOM 270 N NE2 . GLN A 1 35 ? 30.231 23.270 12.283 1.00 15.03 ? 35 GLN A NE2 1 +ATOM 271 N N . ALA A 1 36 ? 32.613 17.597 13.175 1.00 9.63 ? 36 ALA A N 1 +ATOM 272 C CA . ALA A 1 36 ? 33.042 16.802 12.027 1.00 9.52 ? 36 ALA A CA 1 +ATOM 273 C C . ALA A 1 36 ? 32.267 15.491 11.883 1.00 9.57 ? 36 ALA A C 1 +ATOM 274 O O . ALA A 1 36 ? 32.256 14.877 10.816 1.00 9.11 ? 36 ALA A O 1 +ATOM 275 C CB . ALA A 1 36 ? 34.534 16.517 12.129 1.00 9.26 ? 36 ALA A CB 1 +ATOM 276 N N . LYS A 1 37 ? 31.634 15.065 12.971 1.00 9.87 ? 37 LYS A N 1 +ATOM 277 C CA . LYS A 1 37 ? 30.837 13.839 12.996 1.00 10.33 ? 37 LYS A CA 1 +ATOM 278 C C . LYS A 1 37 ? 29.381 14.274 12.843 1.00 10.52 ? 37 LYS A C 1 +ATOM 279 O O . LYS A 1 37 ? 28.704 14.557 13.832 1.00 10.50 ? 37 LYS A O 1 +ATOM 280 C CB . LYS A 1 37 ? 31.041 13.124 14.339 1.00 10.67 ? 37 LYS A CB 1 +ATOM 281 C CG . LYS A 1 37 ? 30.360 11.768 14.465 1.00 11.20 ? 37 LYS A CG 1 +ATOM 282 C CD . LYS A 1 37 ? 30.507 11.217 15.879 1.00 12.02 ? 37 LYS A CD 1 +ATOM 283 C CE . LYS A 1 37 ? 29.833 9.858 16.023 1.00 12.59 ? 37 LYS A CE 1 +ATOM 284 N NZ . LYS A 1 37 ? 29.864 9.361 17.429 1.00 13.24 ? 37 LYS A NZ 1 +ATOM 285 N N . THR A 1 38 ? 28.902 14.331 11.603 1.00 10.82 ? 38 THR A N 1 +ATOM 286 C CA . THR A 1 38 ? 27.536 14.774 11.338 1.00 11.33 ? 38 THR A CA 1 +ATOM 287 C C . THR A 1 38 ? 26.544 13.622 11.202 1.00 11.65 ? 38 THR A C 1 +ATOM 288 O O . THR A 1 38 ? 26.933 12.470 11.035 1.00 11.60 ? 38 THR A O 1 +ATOM 289 C CB . THR A 1 38 ? 27.466 15.646 10.056 1.00 11.29 ? 38 THR A CB 1 +ATOM 290 O OG1 . THR A 1 38 ? 27.224 14.816 8.913 1.00 10.85 ? 38 THR A OG1 1 +ATOM 291 C CG2 . THR A 1 38 ? 28.773 16.391 9.852 1.00 11.38 ? 38 THR A CG2 1 +ATOM 292 N N . PRO A 1 39 ? 25.238 13.927 11.269 1.00 12.09 ? 39 PRO A N 1 +ATOM 293 C CA . PRO A 1 39 ? 24.218 12.884 11.149 1.00 12.11 ? 39 PRO A CA 1 +ATOM 294 C C . PRO A 1 39 ? 24.154 12.187 9.788 1.00 11.87 ? 39 PRO A C 1 +ATOM 295 O O . PRO A 1 39 ? 23.562 11.113 9.670 1.00 12.37 ? 39 PRO A O 1 +ATOM 296 C CB . PRO A 1 39 ? 22.925 13.628 11.490 1.00 12.48 ? 39 PRO A CB 1 +ATOM 297 C CG . PRO A 1 39 ? 23.205 15.016 11.016 1.00 12.75 ? 39 PRO A CG 1 +ATOM 298 C CD . PRO A 1 39 ? 24.613 15.239 11.515 1.00 12.50 ? 39 PRO A CD 1 +ATOM 299 N N . VAL A 1 40 ? 24.766 12.781 8.766 1.00 11.28 ? 40 VAL A N 1 +ATOM 300 C CA . VAL A 1 40 ? 24.742 12.182 7.431 1.00 10.69 ? 40 VAL A CA 1 +ATOM 301 C C . VAL A 1 40 ? 26.109 11.702 6.952 1.00 10.22 ? 40 VAL A C 1 +ATOM 302 O O . VAL A 1 40 ? 26.245 11.235 5.821 1.00 10.17 ? 40 VAL A O 1 +ATOM 303 C CB . VAL A 1 40 ? 24.174 13.163 6.379 1.00 10.68 ? 40 VAL A CB 1 +ATOM 304 C CG1 . VAL A 1 40 ? 22.760 13.575 6.763 1.00 10.72 ? 40 VAL A CG1 1 +ATOM 305 C CG2 . VAL A 1 40 ? 25.078 14.375 6.248 1.00 10.78 ? 40 VAL A CG2 1 +ATOM 306 N N . GLY A 1 41 ? 27.117 11.816 7.811 1.00 9.59 ? 41 GLY A N 1 +ATOM 307 C CA . GLY A 1 41 ? 28.451 11.381 7.441 1.00 9.04 ? 41 GLY A CA 1 +ATOM 308 C C . GLY A 1 41 ? 29.535 12.164 8.153 1.00 8.48 ? 41 GLY A C 1 +ATOM 309 O O . GLY A 1 41 ? 29.249 13.126 8.863 1.00 8.67 ? 41 GLY A O 1 +ATOM 310 N N . ASN A 1 42 ? 30.782 11.745 7.966 1.00 8.28 ? 42 ASN A N 1 +ATOM 311 C CA . ASN A 1 42 ? 31.915 12.417 8.594 1.00 7.99 ? 42 ASN A CA 1 +ATOM 312 C C . ASN A 1 42 ? 32.724 13.170 7.555 1.00 7.68 ? 42 ASN A C 1 +ATOM 313 O O . ASN A 1 42 ? 32.816 12.745 6.403 1.00 7.73 ? 42 ASN A O 1 +ATOM 314 C CB . ASN A 1 42 ? 32.830 11.399 9.283 1.00 8.74 ? 42 ASN A CB 1 +ATOM 315 C CG . ASN A 1 42 ? 32.117 10.598 10.349 1.00 8.98 ? 42 ASN A CG 1 +ATOM 316 O OD1 . ASN A 1 42 ? 31.362 11.148 11.148 1.00 9.58 ? 42 ASN A OD1 1 +ATOM 317 N ND2 . ASN A 1 42 ? 32.364 9.294 10.376 1.00 10.30 ? 42 ASN A ND2 1 +ATOM 318 N N . THR A 1 43 ? 33.312 14.291 7.959 1.00 7.17 ? 43 THR A N 1 +ATOM 319 C CA . THR A 1 43 ? 34.145 15.053 7.040 1.00 6.86 ? 43 THR A CA 1 +ATOM 320 C C . THR A 1 43 ? 35.399 14.212 6.784 1.00 6.78 ? 43 THR A C 1 +ATOM 321 O O . THR A 1 43 ? 35.671 13.254 7.513 1.00 7.00 ? 43 THR A O 1 +ATOM 322 C CB . THR A 1 43 ? 34.542 16.431 7.629 1.00 6.71 ? 43 THR A CB 1 +ATOM 323 O OG1 . THR A 1 43 ? 35.263 16.252 8.856 1.00 6.54 ? 43 THR A OG1 1 +ATOM 324 C CG2 . THR A 1 43 ? 33.300 17.270 7.898 1.00 6.76 ? 43 THR A CG2 1 +ATOM 325 N N . ALA A 1 44 ? 36.150 14.550 5.743 1.00 6.62 ? 44 ALA A N 1 +ATOM 326 C CA . ALA A 1 44 ? 37.358 13.803 5.410 1.00 6.36 ? 44 ALA A CA 1 +ATOM 327 C C . ALA A 1 44 ? 38.432 14.007 6.468 1.00 6.17 ? 44 ALA A C 1 +ATOM 328 O O . ALA A 1 44 ? 39.190 13.089 6.794 1.00 5.96 ? 44 ALA A O 1 +ATOM 329 C CB . ALA A 1 44 ? 37.882 14.241 4.050 1.00 6.32 ? 44 ALA A CB 1 +ATOM 330 N N . ALA A 1 45 ? 38.484 15.214 7.014 1.00 6.05 ? 45 ALA A N 1 +ATOM 331 C CA . ALA A 1 45 ? 39.486 15.541 8.012 1.00 6.06 ? 45 ALA A CA 1 +ATOM 332 C C . ALA A 1 45 ? 39.134 16.833 8.715 1.00 6.09 ? 45 ALA A C 1 +ATOM 333 O O . ALA A 1 45 ? 38.091 17.436 8.467 1.00 6.15 ? 45 ALA A O 1 +ATOM 334 C CB . ALA A 1 45 ? 40.847 15.700 7.326 1.00 6.66 ? 45 ALA A CB 1 +ATOM 335 N N . ILE A 1 46 ? 40.015 17.226 9.627 1.00 6.00 ? 46 ILE A N 1 +ATOM 336 C CA . ILE A 1 46 ? 39.902 18.498 10.312 1.00 5.98 ? 46 ILE A CA 1 +ATOM 337 C C . ILE A 1 46 ? 41.258 19.131 10.016 1.00 5.78 ? 46 ILE A C 1 +ATOM 338 O O . ILE A 1 46 ? 42.213 18.422 9.693 1.00 5.94 ? 46 ILE A O 1 +ATOM 339 C CB . ILE A 1 46 ? 39.709 18.367 11.850 1.00 6.40 ? 46 ILE A CB 1 +ATOM 340 C CG1 . ILE A 1 46 ? 40.833 17.538 12.476 1.00 6.92 ? 46 ILE A CG1 1 +ATOM 341 C CG2 . ILE A 1 46 ? 38.341 17.785 12.148 1.00 6.51 ? 46 ILE A CG2 1 +ATOM 342 C CD1 . ILE A 1 46 ? 40.816 17.552 13.999 1.00 7.69 ? 46 ILE A CD1 1 +ATOM 343 N N . CYS A 1 47 ? 41.330 20.456 10.074 1.00 5.49 ? 47 CYS A N 1 +ATOM 344 C CA . CYS A 1 47 ? 42.582 21.164 9.843 1.00 5.51 ? 47 CYS A CA 1 +ATOM 345 C C . CYS A 1 47 ? 42.705 22.139 10.996 1.00 5.21 ? 47 CYS A C 1 +ATOM 346 O O . CYS A 1 47 ? 41.852 23.009 11.182 1.00 5.41 ? 47 CYS A O 1 +ATOM 347 C CB . CYS A 1 47 ? 42.558 21.907 8.507 1.00 5.53 ? 47 CYS A CB 1 +ATOM 348 S SG . CYS A 1 47 ? 44.132 22.689 8.090 1.00 7.04 ? 47 CYS A SG 1 +ATOM 349 N N . ILE A 1 48 ? 43.775 21.982 11.764 1.00 5.06 ? 48 ILE A N 1 +ATOM 350 C CA . ILE A 1 48 ? 43.999 22.791 12.954 1.00 4.93 ? 48 ILE A CA 1 +ATOM 351 C C . ILE A 1 48 ? 45.478 23.119 13.114 1.00 4.85 ? 48 ILE A C 1 +ATOM 352 O O . ILE A 1 48 ? 46.319 22.570 12.407 1.00 4.71 ? 48 ILE A O 1 +ATOM 353 C CB . ILE A 1 48 ? 43.543 22.004 14.200 1.00 5.27 ? 48 ILE A CB 1 +ATOM 354 C CG1 . ILE A 1 48 ? 44.278 20.657 14.249 1.00 5.65 ? 48 ILE A CG1 1 +ATOM 355 C CG2 . ILE A 1 48 ? 42.036 21.782 14.155 1.00 5.59 ? 48 ILE A CG2 1 +ATOM 356 C CD1 . ILE A 1 48 ? 43.898 19.769 15.417 1.00 5.99 ? 48 ILE A CD1 1 +ATOM 357 N N . TYR A 1 49 ? 45.798 24.011 14.046 1.00 4.86 ? 49 TYR A N 1 +ATOM 358 C CA . TYR A 1 49 ? 47.198 24.336 14.286 1.00 4.97 ? 49 TYR A CA 1 +ATOM 359 C C . TYR A 1 49 ? 47.872 23.110 14.910 1.00 5.20 ? 49 TYR A C 1 +ATOM 360 O O . TYR A 1 49 ? 47.241 22.345 15.642 1.00 4.87 ? 49 TYR A O 1 +ATOM 361 C CB . TYR A 1 49 ? 47.324 25.563 15.195 1.00 5.16 ? 49 TYR A CB 1 +ATOM 362 C CG . TYR A 1 49 ? 47.080 26.869 14.465 1.00 5.10 ? 49 TYR A CG 1 +ATOM 363 C CD1 . TYR A 1 49 ? 47.833 27.208 13.340 1.00 5.49 ? 49 TYR A CD1 1 +ATOM 364 C CD2 . TYR A 1 49 ? 46.109 27.771 14.900 1.00 5.44 ? 49 TYR A CD2 1 +ATOM 365 C CE1 . TYR A 1 49 ? 47.629 28.407 12.669 1.00 5.32 ? 49 TYR A CE1 1 +ATOM 366 C CE2 . TYR A 1 49 ? 45.897 28.977 14.232 1.00 5.51 ? 49 TYR A CE2 1 +ATOM 367 C CZ . TYR A 1 49 ? 46.661 29.285 13.119 1.00 5.60 ? 49 TYR A CZ 1 +ATOM 368 O OH . TYR A 1 49 ? 46.463 30.473 12.450 1.00 6.47 ? 49 TYR A OH 1 +ATOM 369 N N . PRO A 1 50 ? 49.168 22.913 14.634 1.00 5.35 ? 50 PRO A N 1 +ATOM 370 C CA . PRO A 1 50 ? 49.938 21.774 15.145 1.00 5.45 ? 50 PRO A CA 1 +ATOM 371 C C . PRO A 1 50 ? 49.783 21.398 16.617 1.00 5.28 ? 50 PRO A C 1 +ATOM 372 O O . PRO A 1 50 ? 49.614 20.221 16.947 1.00 4.82 ? 50 PRO A O 1 +ATOM 373 C CB . PRO A 1 50 ? 51.376 22.151 14.802 1.00 5.75 ? 50 PRO A CB 1 +ATOM 374 C CG . PRO A 1 50 ? 51.229 22.954 13.554 1.00 5.83 ? 50 PRO A CG 1 +ATOM 375 C CD . PRO A 1 50 ? 50.036 23.827 13.867 1.00 5.48 ? 50 PRO A CD 1 +ATOM 376 N N . ARG A 1 51 ? 49.834 22.389 17.499 1.00 5.10 ? 51 ARG A N 1 +ATOM 377 C CA . ARG A 1 51 ? 49.742 22.123 18.928 1.00 5.18 ? 51 ARG A CA 1 +ATOM 378 C C . ARG A 1 51 ? 48.458 21.437 19.387 1.00 5.26 ? 51 ARG A C 1 +ATOM 379 O O . ARG A 1 51 ? 48.423 20.847 20.467 1.00 5.53 ? 51 ARG A O 1 +ATOM 380 C CB . ARG A 1 51 ? 49.944 23.420 19.718 1.00 5.38 ? 51 ARG A CB 1 +ATOM 381 C CG . ARG A 1 51 ? 48.859 24.473 19.531 1.00 5.89 ? 51 ARG A CG 1 +ATOM 382 C CD . ARG A 1 51 ? 49.248 25.736 20.285 1.00 6.57 ? 51 ARG A CD 1 +ATOM 383 N NE . ARG A 1 51 ? 48.268 26.814 20.179 1.00 7.09 ? 51 ARG A NE 1 +ATOM 384 C CZ . ARG A 1 51 ? 48.082 27.572 19.102 1.00 7.36 ? 51 ARG A CZ 1 +ATOM 385 N NH1 . ARG A 1 51 ? 48.806 27.379 18.006 1.00 7.63 ? 51 ARG A NH1 1 +ATOM 386 N NH2 . ARG A 1 51 ? 47.178 28.545 19.131 1.00 8.08 ? 51 ARG A NH2 1 +ATOM 387 N N . PHE A 1 52 ? 47.413 21.492 18.571 1.00 5.23 ? 52 PHE A N 1 +ATOM 388 C CA . PHE A 1 52 ? 46.142 20.876 18.946 1.00 5.38 ? 52 PHE A CA 1 +ATOM 389 C C . PHE A 1 52 ? 45.963 19.450 18.437 1.00 5.40 ? 52 PHE A C 1 +ATOM 390 O O . PHE A 1 52 ? 44.954 18.810 18.728 1.00 5.49 ? 52 PHE A O 1 +ATOM 391 C CB . PHE A 1 52 ? 44.981 21.739 18.445 1.00 5.61 ? 52 PHE A CB 1 +ATOM 392 C CG . PHE A 1 52 ? 44.969 23.128 19.018 1.00 5.71 ? 52 PHE A CG 1 +ATOM 393 C CD1 . PHE A 1 52 ? 44.781 23.331 20.383 1.00 6.12 ? 52 PHE A CD1 1 +ATOM 394 C CD2 . PHE A 1 52 ? 45.166 24.236 18.198 1.00 5.86 ? 52 PHE A CD2 1 +ATOM 395 C CE1 . PHE A 1 52 ? 44.790 24.616 20.925 1.00 5.85 ? 52 PHE A CE1 1 +ATOM 396 C CE2 . PHE A 1 52 ? 45.178 25.523 18.729 1.00 5.91 ? 52 PHE A CE2 1 +ATOM 397 C CZ . PHE A 1 52 ? 44.989 25.713 20.095 1.00 5.99 ? 52 PHE A CZ 1 +ATOM 398 N N . ILE A 1 53 ? 46.943 18.940 17.700 1.00 5.40 ? 53 ILE A N 1 +ATOM 399 C CA . ILE A 1 53 ? 46.835 17.596 17.148 1.00 5.70 ? 53 ILE A CA 1 +ATOM 400 C C . ILE A 1 53 ? 46.662 16.466 18.170 1.00 5.86 ? 53 ILE A C 1 +ATOM 401 O O . ILE A 1 53 ? 45.772 15.637 18.020 1.00 5.98 ? 53 ILE A O 1 +ATOM 402 C CB . ILE A 1 53 ? 48.035 17.285 16.220 1.00 5.46 ? 53 ILE A CB 1 +ATOM 403 C CG1 . ILE A 1 53 ? 47.993 18.208 14.995 1.00 5.61 ? 53 ILE A CG1 1 +ATOM 404 C CG2 . ILE A 1 53 ? 47.987 15.830 15.766 1.00 5.65 ? 53 ILE A CG2 1 +ATOM 405 C CD1 . ILE A 1 53 ? 49.220 18.093 14.102 1.00 5.60 ? 53 ILE A CD1 1 +ATOM 406 N N . PRO A 1 54 ? 47.489 16.420 19.230 1.00 6.09 ? 54 PRO A N 1 +ATOM 407 C CA . PRO A 1 54 ? 47.330 15.336 20.209 1.00 6.54 ? 54 PRO A CA 1 +ATOM 408 C C . PRO A 1 54 ? 45.935 15.219 20.820 1.00 6.79 ? 54 PRO A C 1 +ATOM 409 O O . PRO A 1 54 ? 45.355 14.132 20.848 1.00 7.00 ? 54 PRO A O 1 +ATOM 410 C CB . PRO A 1 54 ? 48.397 15.656 21.251 1.00 6.47 ? 54 PRO A CB 1 +ATOM 411 C CG . PRO A 1 54 ? 49.472 16.310 20.433 1.00 6.31 ? 54 PRO A CG 1 +ATOM 412 C CD . PRO A 1 54 ? 48.668 17.242 19.555 1.00 6.25 ? 54 PRO A CD 1 +ATOM 413 N N . ILE A 1 55 ? 45.388 16.328 21.304 1.00 7.10 ? 55 ILE A N 1 +ATOM 414 C CA . ILE A 1 55 ? 44.062 16.285 21.908 1.00 7.42 ? 55 ILE A CA 1 +ATOM 415 C C . ILE A 1 55 ? 42.983 16.003 20.861 1.00 7.20 ? 55 ILE A C 1 +ATOM 416 O O . ILE A 1 55 ? 41.976 15.359 21.159 1.00 7.32 ? 55 ILE A O 1 +ATOM 417 C CB . ILE A 1 55 ? 43.738 17.599 22.670 1.00 7.84 ? 55 ILE A CB 1 +ATOM 418 C CG1 . ILE A 1 55 ? 42.431 17.433 23.450 1.00 8.38 ? 55 ILE A CG1 1 +ATOM 419 C CG2 . ILE A 1 55 ? 43.653 18.771 21.704 1.00 8.37 ? 55 ILE A CG2 1 +ATOM 420 C CD1 . ILE A 1 55 ? 42.483 16.342 24.501 1.00 9.15 ? 55 ILE A CD1 1 +ATOM 421 N N . ALA A 1 56 ? 43.191 16.477 19.637 1.00 6.97 ? 56 ALA A N 1 +ATOM 422 C CA . ALA A 1 56 ? 42.224 16.232 18.570 1.00 6.84 ? 56 ALA A CA 1 +ATOM 423 C C . ALA A 1 56 ? 42.180 14.736 18.255 1.00 6.89 ? 56 ALA A C 1 +ATOM 424 O O . ALA A 1 56 ? 41.105 14.161 18.073 1.00 6.79 ? 56 ALA A O 1 +ATOM 425 C CB . ALA A 1 56 ? 42.601 17.025 17.312 1.00 6.80 ? 56 ALA A CB 1 +ATOM 426 N N . ARG A 1 57 ? 43.350 14.108 18.192 1.00 6.96 ? 57 ARG A N 1 +ATOM 427 C CA . ARG A 1 57 ? 43.421 12.685 17.900 1.00 7.37 ? 57 ARG A CA 1 +ATOM 428 C C . ARG A 1 57 ? 42.643 11.902 18.951 1.00 7.61 ? 57 ARG A C 1 +ATOM 429 O O . ARG A 1 57 ? 41.864 11.006 18.622 1.00 7.56 ? 57 ARG A O 1 +ATOM 430 C CB . ARG A 1 57 ? 44.875 12.207 17.884 1.00 7.15 ? 57 ARG A CB 1 +ATOM 431 C CG . ARG A 1 57 ? 45.016 10.742 17.491 1.00 7.22 ? 57 ARG A CG 1 +ATOM 432 C CD . ARG A 1 57 ? 44.721 10.533 16.010 1.00 7.11 ? 57 ARG A CD 1 +ATOM 433 N NE . ARG A 1 57 ? 45.853 10.938 15.179 1.00 7.37 ? 57 ARG A NE 1 +ATOM 434 C CZ . ARG A 1 57 ? 45.815 11.054 13.855 1.00 7.33 ? 57 ARG A CZ 1 +ATOM 435 N NH1 . ARG A 1 57 ? 44.693 10.807 13.184 1.00 7.46 ? 57 ARG A NH1 1 +ATOM 436 N NH2 . ARG A 1 57 ? 46.911 11.399 13.196 1.00 7.91 ? 57 ARG A NH2 1 +ATOM 437 N N . LYS A 1 58 ? 42.852 12.250 20.216 1.00 8.27 ? 58 LYS A N 1 +ATOM 438 C CA . LYS A 1 58 ? 42.173 11.582 21.320 1.00 8.90 ? 58 LYS A CA 1 +ATOM 439 C C . LYS A 1 58 ? 40.663 11.774 21.232 1.00 8.79 ? 58 LYS A C 1 +ATOM 440 O O . LYS A 1 58 ? 39.896 10.836 21.444 1.00 8.80 ? 58 LYS A O 1 +ATOM 441 C CB . LYS A 1 58 ? 42.689 12.129 22.653 1.00 9.55 ? 58 LYS A CB 1 +ATOM 442 C CG . LYS A 1 58 ? 42.034 11.519 23.889 1.00 10.94 ? 58 LYS A CG 1 +ATOM 443 C CD . LYS A 1 58 ? 42.559 12.173 25.165 1.00 12.08 ? 58 LYS A CD 1 +ATOM 444 C CE . LYS A 1 58 ? 41.818 11.666 26.393 1.00 13.25 ? 58 LYS A CE 1 +ATOM 445 N NZ . LYS A 1 58 ? 42.294 12.325 27.644 1.00 14.18 ? 58 LYS A NZ 1 +ATOM 446 N N . THR A 1 59 ? 40.241 12.992 20.915 1.00 8.69 ? 59 THR A N 1 +ATOM 447 C CA . THR A 1 59 ? 38.823 13.309 20.810 1.00 8.82 ? 59 THR A CA 1 +ATOM 448 C C . THR A 1 59 ? 38.149 12.540 19.677 1.00 8.87 ? 59 THR A C 1 +ATOM 449 O O . THR A 1 59 ? 37.046 12.018 19.844 1.00 8.94 ? 59 THR A O 1 +ATOM 450 C CB . THR A 1 59 ? 38.623 14.818 20.595 1.00 8.78 ? 59 THR A CB 1 +ATOM 451 O OG1 . THR A 1 59 ? 39.270 15.533 21.654 1.00 8.97 ? 59 THR A OG1 1 +ATOM 452 C CG2 . THR A 1 59 ? 37.144 15.169 20.587 1.00 8.94 ? 59 THR A CG2 1 +ATOM 453 N N . LEU A 1 60 ? 38.808 12.475 18.525 1.00 9.10 ? 60 LEU A N 1 +ATOM 454 C CA . LEU A 1 60 ? 38.258 11.755 17.384 1.00 9.30 ? 60 LEU A CA 1 +ATOM 455 C C . LEU A 1 60 ? 38.153 10.270 17.702 1.00 9.83 ? 60 LEU A C 1 +ATOM 456 O O . LEU A 1 60 ? 37.176 9.612 17.338 1.00 9.83 ? 60 LEU A O 1 +ATOM 457 C CB . LEU A 1 60 ? 39.138 11.970 16.150 1.00 8.73 ? 60 LEU A CB 1 +ATOM 458 C CG . LEU A 1 60 ? 39.127 13.400 15.605 1.00 8.26 ? 60 LEU A CG 1 +ATOM 459 C CD1 . LEU A 1 60 ? 40.174 13.535 14.510 1.00 8.26 ? 60 LEU A CD1 1 +ATOM 460 C CD2 . LEU A 1 60 ? 37.738 13.745 15.079 1.00 8.19 ? 60 LEU A CD2 1 +ATOM 461 N N . LYS A 1 61 ? 39.157 9.744 18.393 1.00 10.42 ? 61 LYS A N 1 +ATOM 462 C CA . LYS A 1 61 ? 39.158 8.334 18.756 1.00 11.21 ? 61 LYS A CA 1 +ATOM 463 C C . LYS A 1 61 ? 38.037 7.984 19.727 1.00 11.54 ? 61 LYS A C 1 +ATOM 464 O O . LYS A 1 61 ? 37.335 6.989 19.537 1.00 11.45 ? 61 LYS A O 1 +ATOM 465 C CB . LYS A 1 61 ? 40.498 7.943 19.380 1.00 11.59 ? 61 LYS A CB 1 +ATOM 466 C CG . LYS A 1 61 ? 40.505 6.524 19.931 1.00 12.40 ? 61 LYS A CG 1 +ATOM 467 C CD . LYS A 1 61 ? 41.836 6.162 20.554 1.00 13.36 ? 61 LYS A CD 1 +ATOM 468 C CE . LYS A 1 61 ? 41.793 4.742 21.094 1.00 14.03 ? 61 LYS A CE 1 +ATOM 469 N NZ . LYS A 1 61 ? 43.101 4.326 21.666 1.00 14.77 ? 61 LYS A NZ 1 +ATOM 470 N N . GLU A 1 62 ? 37.865 8.796 20.765 1.00 11.96 ? 62 GLU A N 1 +ATOM 471 C CA . GLU A 1 62 ? 36.838 8.520 21.762 1.00 12.58 ? 62 GLU A CA 1 +ATOM 472 C C . GLU A 1 62 ? 35.413 8.631 21.237 1.00 12.60 ? 62 GLU A C 1 +ATOM 473 O O . GLU A 1 62 ? 34.509 7.989 21.772 1.00 13.04 ? 62 GLU A O 1 +ATOM 474 C CB . GLU A 1 62 ? 37.021 9.424 22.989 1.00 13.12 ? 62 GLU A CB 1 +ATOM 475 C CG . GLU A 1 62 ? 38.355 9.220 23.699 1.00 14.24 ? 62 GLU A CG 1 +ATOM 476 C CD . GLU A 1 62 ? 38.443 9.948 25.032 1.00 14.68 ? 62 GLU A CD 1 +ATOM 477 O OE1 . GLU A 1 62 ? 37.936 11.085 25.137 1.00 15.56 ? 62 GLU A OE1 1 +ATOM 478 O OE2 . GLU A 1 62 ? 39.036 9.386 25.975 1.00 15.87 ? 62 GLU A OE2 1 +ATOM 479 N N . GLN A 1 63 ? 35.204 9.427 20.190 1.00 12.18 ? 63 GLN A N 1 +ATOM 480 C CA . GLN A 1 63 ? 33.863 9.577 19.635 1.00 11.93 ? 63 GLN A CA 1 +ATOM 481 C C . GLN A 1 63 ? 33.602 8.555 18.529 1.00 11.87 ? 63 GLN A C 1 +ATOM 482 O O . GLN A 1 63 ? 32.572 8.600 17.852 1.00 11.93 ? 63 GLN A O 1 +ATOM 483 C CB . GLN A 1 63 ? 33.646 11.002 19.106 1.00 11.71 ? 63 GLN A CB 1 +ATOM 484 C CG . GLN A 1 63 ? 34.369 11.333 17.810 1.00 11.36 ? 63 GLN A CG 1 +ATOM 485 C CD . GLN A 1 63 ? 34.049 12.734 17.312 1.00 11.28 ? 63 GLN A CD 1 +ATOM 486 O OE1 . GLN A 1 63 ? 34.376 13.097 16.180 1.00 11.01 ? 63 GLN A OE1 1 +ATOM 487 N NE2 . GLN A 1 63 ? 33.410 13.529 18.159 1.00 10.77 ? 63 GLN A NE2 1 +ATOM 488 N N . GLY A 1 64 ? 34.546 7.637 18.346 1.00 11.74 ? 64 GLY A N 1 +ATOM 489 C CA . GLY A 1 64 ? 34.391 6.598 17.344 1.00 11.73 ? 64 GLY A CA 1 +ATOM 490 C C . GLY A 1 64 ? 34.589 6.989 15.891 1.00 11.61 ? 64 GLY A C 1 +ATOM 491 O O . GLY A 1 64 ? 34.014 6.363 14.998 1.00 12.05 ? 64 GLY A O 1 +ATOM 492 N N . THR A 1 65 ? 35.395 8.016 15.641 1.00 11.20 ? 65 THR A N 1 +ATOM 493 C CA . THR A 1 65 ? 35.661 8.442 14.270 1.00 10.81 ? 65 THR A CA 1 +ATOM 494 C C . THR A 1 65 ? 37.162 8.600 14.040 1.00 10.88 ? 65 THR A C 1 +ATOM 495 O O . THR A 1 65 ? 37.633 9.672 13.652 1.00 10.57 ? 65 THR A O 1 +ATOM 496 C CB . THR A 1 65 ? 34.964 9.782 13.940 1.00 10.69 ? 65 THR A CB 1 +ATOM 497 O OG1 . THR A 1 65 ? 35.460 10.810 14.806 1.00 10.12 ? 65 THR A OG1 1 +ATOM 498 C CG2 . THR A 1 65 ? 33.458 9.658 14.108 1.00 10.74 ? 65 THR A CG2 1 +ATOM 499 N N . PRO A 1 66 ? 37.937 7.530 14.278 1.00 10.90 ? 66 PRO A N 1 +ATOM 500 C CA . PRO A 1 66 ? 39.387 7.593 14.083 1.00 11.08 ? 66 PRO A CA 1 +ATOM 501 C C . PRO A 1 66 ? 39.784 7.739 12.618 1.00 11.02 ? 66 PRO A C 1 +ATOM 502 O O . PRO A 1 66 ? 40.936 8.058 12.310 1.00 11.19 ? 66 PRO A O 1 +ATOM 503 C CB . PRO A 1 66 ? 39.870 6.280 14.691 1.00 11.23 ? 66 PRO A CB 1 +ATOM 504 C CG . PRO A 1 66 ? 38.732 5.352 14.405 1.00 11.32 ? 66 PRO A CG 1 +ATOM 505 C CD . PRO A 1 66 ? 37.531 6.195 14.754 1.00 11.13 ? 66 PRO A CD 1 +ATOM 506 N N . GLU A 1 67 ? 38.831 7.515 11.717 1.00 11.03 ? 67 GLU A N 1 +ATOM 507 C CA . GLU A 1 67 ? 39.104 7.620 10.288 1.00 11.00 ? 67 GLU A CA 1 +ATOM 508 C C . GLU A 1 67 ? 39.113 9.065 9.798 1.00 10.43 ? 67 GLU A C 1 +ATOM 509 O O . GLU A 1 67 ? 39.454 9.332 8.644 1.00 10.53 ? 67 GLU A O 1 +ATOM 510 C CB . GLU A 1 67 ? 38.084 6.813 9.473 1.00 11.82 ? 67 GLU A CB 1 +ATOM 511 C CG . GLU A 1 67 ? 36.666 7.354 9.535 1.00 13.14 ? 67 GLU A CG 1 +ATOM 512 C CD . GLU A 1 67 ? 35.831 6.696 10.614 1.00 13.89 ? 67 GLU A CD 1 +ATOM 513 O OE1 . GLU A 1 67 ? 36.342 6.504 11.736 1.00 14.47 ? 67 GLU A OE1 1 +ATOM 514 O OE2 . GLU A 1 67 ? 34.655 6.375 10.340 1.00 14.83 ? 67 GLU A OE2 1 +ATOM 515 N N . ILE A 1 68 ? 38.714 9.998 10.657 1.00 9.65 ? 68 ILE A N 1 +ATOM 516 C CA . ILE A 1 68 ? 38.739 11.405 10.271 1.00 9.01 ? 68 ILE A CA 1 +ATOM 517 C C . ILE A 1 68 ? 40.200 11.834 10.398 1.00 8.67 ? 68 ILE A C 1 +ATOM 518 O O . ILE A 1 68 ? 40.777 11.776 11.485 1.00 8.74 ? 68 ILE A O 1 +ATOM 519 C CB . ILE A 1 68 ? 37.841 12.267 11.189 1.00 8.78 ? 68 ILE A CB 1 +ATOM 520 C CG1 . ILE A 1 68 ? 36.370 11.866 10.995 1.00 8.68 ? 68 ILE A CG1 1 +ATOM 521 C CG2 . ILE A 1 68 ? 38.041 13.752 10.873 1.00 8.50 ? 68 ILE A CG2 1 +ATOM 522 C CD1 . ILE A 1 68 ? 35.381 12.676 11.811 1.00 8.67 ? 68 ILE A CD1 1 +ATOM 523 N N . ARG A 1 69 ? 40.800 12.240 9.282 1.00 8.03 ? 69 ARG A N 1 +ATOM 524 C CA . ARG A 1 69 ? 42.206 12.643 9.275 1.00 7.76 ? 69 ARG A CA 1 +ATOM 525 C C . ARG A 1 69 ? 42.486 13.975 9.951 1.00 6.97 ? 69 ARG A C 1 +ATOM 526 O O . ARG A 1 69 ? 41.598 14.810 10.118 1.00 6.65 ? 69 ARG A O 1 +ATOM 527 C CB . ARG A 1 69 ? 42.745 12.728 7.844 1.00 8.60 ? 69 ARG A CB 1 +ATOM 528 C CG . ARG A 1 69 ? 42.758 11.426 7.068 1.00 10.35 ? 69 ARG A CG 1 +ATOM 529 C CD . ARG A 1 69 ? 41.408 11.140 6.486 1.00 11.85 ? 69 ARG A CD 1 +ATOM 530 N NE . ARG A 1 69 ? 41.499 10.375 5.248 1.00 13.03 ? 69 ARG A NE 1 +ATOM 531 C CZ . ARG A 1 69 ? 40.490 10.241 4.397 1.00 12.72 ? 69 ARG A CZ 1 +ATOM 532 N NH1 . ARG A 1 69 ? 39.331 10.824 4.664 1.00 12.83 ? 69 ARG A NH1 1 +ATOM 533 N NH2 . ARG A 1 69 ? 40.635 9.526 3.289 1.00 13.01 ? 69 ARG A NH2 1 +ATOM 534 N N . ILE A 1 70 ? 43.742 14.171 10.330 1.00 6.34 ? 70 ILE A N 1 +ATOM 535 C CA . ILE A 1 70 ? 44.135 15.420 10.953 1.00 5.82 ? 70 ILE A CA 1 +ATOM 536 C C . ILE A 1 70 ? 45.182 16.113 10.103 1.00 5.49 ? 70 ILE A C 1 +ATOM 537 O O . ILE A 1 70 ? 46.305 15.627 9.949 1.00 5.55 ? 70 ILE A O 1 +ATOM 538 C CB . ILE A 1 70 ? 44.705 15.205 12.365 1.00 5.87 ? 70 ILE A CB 1 +ATOM 539 C CG1 . ILE A 1 70 ? 43.656 14.513 13.236 1.00 6.17 ? 70 ILE A CG1 1 +ATOM 540 C CG2 . ILE A 1 70 ? 45.086 16.553 12.981 1.00 6.13 ? 70 ILE A CG2 1 +ATOM 541 C CD1 . ILE A 1 70 ? 44.113 14.231 14.654 1.00 6.51 ? 70 ILE A CD1 1 +ATOM 542 N N . ALA A 1 71 ? 44.786 17.240 9.528 1.00 5.06 ? 71 ALA A N 1 +ATOM 543 C CA . ALA A 1 71 ? 45.674 18.045 8.711 1.00 4.85 ? 71 ALA A CA 1 +ATOM 544 C C . ALA A 1 71 ? 46.065 19.261 9.537 1.00 4.81 ? 71 ALA A C 1 +ATOM 545 O O . ALA A 1 71 ? 45.365 19.645 10.481 1.00 4.74 ? 71 ALA A O 1 +ATOM 546 C CB . ALA A 1 71 ? 44.963 18.486 7.430 1.00 5.13 ? 71 ALA A CB 1 +ATOM 547 N N . THR A 1 72 ? 47.188 19.864 9.181 1.00 4.77 ? 72 THR A N 1 +ATOM 548 C CA . THR A 1 72 ? 47.656 21.039 9.882 1.00 4.72 ? 72 THR A CA 1 +ATOM 549 C C . THR A 1 72 ? 48.376 21.950 8.891 1.00 4.75 ? 72 THR A C 1 +ATOM 550 O O . THR A 1 72 ? 48.458 21.638 7.700 1.00 5.15 ? 72 THR A O 1 +ATOM 551 C CB . THR A 1 72 ? 48.576 20.640 11.062 1.00 4.97 ? 72 THR A CB 1 +ATOM 552 O OG1 . THR A 1 72 ? 48.830 21.791 11.873 1.00 4.68 ? 72 THR A OG1 1 +ATOM 553 C CG2 . THR A 1 72 ? 49.896 20.058 10.560 1.00 4.82 ? 72 THR A CG2 1 +ATOM 554 N N . VAL A 1 73 ? 48.883 23.078 9.374 1.00 4.91 ? 73 VAL A N 1 +ATOM 555 C CA . VAL A 1 73 ? 49.565 24.032 8.506 1.00 4.84 ? 73 VAL A CA 1 +ATOM 556 C C . VAL A 1 73 ? 50.950 24.417 9.020 1.00 4.65 ? 73 VAL A C 1 +ATOM 557 O O . VAL A 1 73 ? 51.166 24.482 10.228 1.00 4.81 ? 73 VAL A O 1 +ATOM 558 C CB . VAL A 1 73 ? 48.725 25.324 8.346 1.00 5.10 ? 73 VAL A CB 1 +ATOM 559 C CG1 . VAL A 1 73 ? 47.410 25.007 7.654 1.00 5.42 ? 73 VAL A CG1 1 +ATOM 560 C CG2 . VAL A 1 73 ? 48.455 25.945 9.710 1.00 5.26 ? 73 VAL A CG2 1 +ATOM 561 N N . THR A 1 74 ? 51.884 24.649 8.096 1.00 4.39 ? 74 THR A N 1 +ATOM 562 C CA . THR A 1 74 ? 53.242 25.074 8.452 1.00 4.28 ? 74 THR A CA 1 +ATOM 563 C C . THR A 1 74 ? 53.725 26.177 7.502 1.00 4.41 ? 74 THR A C 1 +ATOM 564 O O . THR A 1 74 ? 53.176 26.343 6.405 1.00 4.45 ? 74 THR A O 1 +ATOM 565 C CB . THR A 1 74 ? 54.251 23.900 8.452 1.00 4.18 ? 74 THR A CB 1 +ATOM 566 O OG1 . THR A 1 74 ? 54.299 23.290 7.159 1.00 4.17 ? 74 THR A OG1 1 +ATOM 567 C CG2 . THR A 1 74 ? 53.862 22.868 9.505 1.00 4.34 ? 74 THR A CG2 1 +ATOM 568 N N . ASN A 1 75 ? 54.751 26.915 7.932 1.00 4.78 ? 75 ASN A N 1 +ATOM 569 C CA . ASN A 1 75 ? 55.303 28.063 7.192 1.00 4.54 ? 75 ASN A CA 1 +ATOM 570 C C . ASN A 1 75 ? 54.100 28.957 6.912 1.00 4.72 ? 75 ASN A C 1 +ATOM 571 O O . ASN A 1 75 ? 54.029 29.648 5.902 1.00 4.61 ? 75 ASN A O 1 +ATOM 572 C CB . ASN A 1 75 ? 55.964 27.625 5.876 1.00 4.73 ? 75 ASN A CB 1 +ATOM 573 C CG . ASN A 1 75 ? 56.961 28.651 5.371 1.00 4.59 ? 75 ASN A CG 1 +ATOM 574 O OD1 . ASN A 1 75 ? 57.689 29.243 6.167 1.00 4.96 ? 75 ASN A OD1 1 +ATOM 575 N ND2 . ASN A 1 75 ? 57.010 28.859 4.057 1.00 4.42 ? 75 ASN A ND2 1 +ATOM 576 N N . PHE A 1 76 ? 53.187 28.956 7.874 1.00 4.92 ? 76 PHE A N 1 +ATOM 577 C CA . PHE A 1 76 ? 51.896 29.622 7.785 1.00 5.11 ? 76 PHE A CA 1 +ATOM 578 C C . PHE A 1 76 ? 51.707 30.864 8.656 1.00 5.38 ? 76 PHE A C 1 +ATOM 579 O O . PHE A 1 76 ? 52.168 30.913 9.790 1.00 5.77 ? 76 PHE A O 1 +ATOM 580 C CB . PHE A 1 76 ? 50.865 28.541 8.131 1.00 5.07 ? 76 PHE A CB 1 +ATOM 581 C CG . PHE A 1 76 ? 49.432 28.957 7.992 1.00 4.89 ? 76 PHE A CG 1 +ATOM 582 C CD1 . PHE A 1 76 ? 48.784 29.641 9.014 1.00 4.98 ? 76 PHE A CD1 1 +ATOM 583 C CD2 . PHE A 1 76 ? 48.706 28.581 6.867 1.00 4.69 ? 76 PHE A CD2 1 +ATOM 584 C CE1 . PHE A 1 76 ? 47.430 29.938 8.924 1.00 5.21 ? 76 PHE A CE1 1 +ATOM 585 C CE2 . PHE A 1 76 ? 47.352 28.872 6.766 1.00 5.06 ? 76 PHE A CE2 1 +ATOM 586 C CZ . PHE A 1 76 ? 46.711 29.550 7.796 1.00 5.06 ? 76 PHE A CZ 1 +ATOM 587 N N . PRO A 1 77 ? 51.021 31.894 8.130 1.00 5.68 ? 77 PRO A N 1 +ATOM 588 C CA . PRO A 1 77 ? 50.419 31.980 6.795 1.00 5.73 ? 77 PRO A CA 1 +ATOM 589 C C . PRO A 1 77 ? 51.340 32.745 5.851 1.00 5.81 ? 77 PRO A C 1 +ATOM 590 O O . PRO A 1 77 ? 51.054 32.885 4.662 1.00 5.75 ? 77 PRO A O 1 +ATOM 591 C CB . PRO A 1 77 ? 49.136 32.751 7.063 1.00 6.05 ? 77 PRO A CB 1 +ATOM 592 C CG . PRO A 1 77 ? 49.603 33.765 8.066 1.00 6.01 ? 77 PRO A CG 1 +ATOM 593 C CD . PRO A 1 77 ? 50.463 32.934 9.016 1.00 5.99 ? 77 PRO A CD 1 +ATOM 594 N N . HIS A 1 78 ? 52.452 33.211 6.404 1.00 5.66 ? 78 HIS A N 1 +ATOM 595 C CA . HIS A 1 78 ? 53.430 34.027 5.694 1.00 5.85 ? 78 HIS A CA 1 +ATOM 596 C C . HIS A 1 78 ? 54.072 33.502 4.416 1.00 5.79 ? 78 HIS A C 1 +ATOM 597 O O . HIS A 1 78 ? 54.300 34.273 3.486 1.00 6.05 ? 78 HIS A O 1 +ATOM 598 C CB . HIS A 1 78 ? 54.538 34.442 6.667 1.00 6.16 ? 78 HIS A CB 1 +ATOM 599 C CG . HIS A 1 78 ? 55.177 33.289 7.381 1.00 6.38 ? 78 HIS A CG 1 +ATOM 600 N ND1 . HIS A 1 78 ? 54.902 32.980 8.697 1.00 7.18 ? 78 HIS A ND1 1 +ATOM 601 C CD2 . HIS A 1 78 ? 56.060 32.356 6.953 1.00 6.28 ? 78 HIS A CD2 1 +ATOM 602 C CE1 . HIS A 1 78 ? 55.590 31.908 9.047 1.00 6.76 ? 78 HIS A CE1 1 +ATOM 603 N NE2 . HIS A 1 78 ? 56.300 31.509 8.007 1.00 7.53 ? 78 HIS A NE2 1 +ATOM 604 N N . GLY A 1 79 ? 54.380 32.212 4.358 1.00 5.76 ? 79 GLY A N 1 +ATOM 605 C CA . GLY A 1 79 ? 55.029 31.691 3.169 1.00 5.68 ? 79 GLY A CA 1 +ATOM 606 C C . GLY A 1 79 ? 56.424 32.282 3.021 1.00 5.76 ? 79 GLY A C 1 +ATOM 607 O O . GLY A 1 79 ? 56.850 32.620 1.912 1.00 5.50 ? 79 GLY A O 1 +ATOM 608 N N . ASN A 1 80 ? 57.136 32.429 4.137 1.00 5.89 ? 80 ASN A N 1 +ATOM 609 C CA . ASN A 1 80 ? 58.490 32.974 4.094 1.00 6.04 ? 80 ASN A CA 1 +ATOM 610 C C . ASN A 1 80 ? 59.401 32.017 3.325 1.00 6.23 ? 80 ASN A C 1 +ATOM 611 O O . ASN A 1 80 ? 59.068 30.842 3.129 1.00 6.09 ? 80 ASN A O 1 +ATOM 612 C CB . ASN A 1 80 ? 59.031 33.217 5.512 1.00 6.36 ? 80 ASN A CB 1 +ATOM 613 C CG . ASN A 1 80 ? 58.342 34.380 6.212 1.00 6.62 ? 80 ASN A CG 1 +ATOM 614 O OD1 . ASN A 1 80 ? 57.723 35.232 5.569 1.00 7.05 ? 80 ASN A OD1 1 +ATOM 615 N ND2 . ASN A 1 80 ? 58.461 34.429 7.535 1.00 6.95 ? 80 ASN A ND2 1 +ATOM 616 N N . ASP A 1 81 ? 60.556 32.518 2.898 1.00 6.75 ? 81 ASP A N 1 +ATOM 617 C CA . ASP A 1 81 ? 61.487 31.716 2.114 1.00 7.28 ? 81 ASP A CA 1 +ATOM 618 C C . ASP A 1 81 ? 62.602 31.028 2.889 1.00 7.20 ? 81 ASP A C 1 +ATOM 619 O O . ASP A 1 81 ? 63.618 30.655 2.301 1.00 7.42 ? 81 ASP A O 1 +ATOM 620 C CB . ASP A 1 81 ? 62.113 32.569 1.005 1.00 8.29 ? 81 ASP A CB 1 +ATOM 621 C CG . ASP A 1 81 ? 62.840 33.781 1.543 1.00 9.47 ? 81 ASP A CG 1 +ATOM 622 O OD1 . ASP A 1 81 ? 63.332 33.728 2.691 1.00 10.37 ? 81 ASP A OD1 1 +ATOM 623 O OD2 . ASP A 1 81 ? 62.935 34.787 0.805 1.00 11.10 ? 81 ASP A OD2 1 +ATOM 624 N N . ASP A 1 82 ? 62.429 30.863 4.197 1.00 6.94 ? 82 ASP A N 1 +ATOM 625 C CA . ASP A 1 82 ? 63.449 30.195 4.998 1.00 6.75 ? 82 ASP A CA 1 +ATOM 626 C C . ASP A 1 82 ? 63.115 28.702 5.048 1.00 6.43 ? 82 ASP A C 1 +ATOM 627 O O . ASP A 1 82 ? 62.201 28.276 5.753 1.00 6.23 ? 82 ASP A O 1 +ATOM 628 C CB . ASP A 1 82 ? 63.490 30.779 6.411 1.00 7.13 ? 82 ASP A CB 1 +ATOM 629 C CG . ASP A 1 82 ? 64.669 30.269 7.214 1.00 7.43 ? 82 ASP A CG 1 +ATOM 630 O OD1 . ASP A 1 82 ? 64.862 29.038 7.275 1.00 7.60 ? 82 ASP A OD1 1 +ATOM 631 O OD2 . ASP A 1 82 ? 65.407 31.098 7.787 1.00 8.52 ? 82 ASP A OD2 1 +ATOM 632 N N . ILE A 1 83 ? 63.859 27.912 4.285 1.00 6.32 ? 83 ILE A N 1 +ATOM 633 C CA . ILE A 1 83 ? 63.622 26.477 4.217 1.00 6.46 ? 83 ILE A CA 1 +ATOM 634 C C . ILE A 1 83 ? 63.844 25.765 5.548 1.00 6.56 ? 83 ILE A C 1 +ATOM 635 O O . ILE A 1 83 ? 63.071 24.884 5.914 1.00 6.13 ? 83 ILE A O 1 +ATOM 636 C CB . ILE A 1 83 ? 64.509 25.832 3.132 1.00 6.67 ? 83 ILE A CB 1 +ATOM 637 C CG1 . ILE A 1 83 ? 64.186 26.455 1.771 1.00 6.71 ? 83 ILE A CG1 1 +ATOM 638 C CG2 . ILE A 1 83 ? 64.268 24.327 3.083 1.00 6.54 ? 83 ILE A CG2 1 +ATOM 639 C CD1 . ILE A 1 83 ? 65.116 26.013 0.665 1.00 7.44 ? 83 ILE A CD1 1 +ATOM 640 N N . ASP A 1 84 ? 64.887 26.144 6.280 1.00 6.92 ? 84 ASP A N 1 +ATOM 641 C CA . ASP A 1 84 ? 65.156 25.500 7.561 1.00 7.20 ? 84 ASP A CA 1 +ATOM 642 C C . ASP A 1 84 ? 63.976 25.634 8.514 1.00 6.67 ? 84 ASP A C 1 +ATOM 643 O O . ASP A 1 84 ? 63.613 24.679 9.202 1.00 6.78 ? 84 ASP A O 1 +ATOM 644 C CB . ASP A 1 84 ? 66.411 26.083 8.216 1.00 8.36 ? 84 ASP A CB 1 +ATOM 645 C CG . ASP A 1 84 ? 67.666 25.819 7.408 1.00 9.56 ? 84 ASP A CG 1 +ATOM 646 O OD1 . ASP A 1 84 ? 67.726 24.776 6.723 1.00 10.87 ? 84 ASP A OD1 1 +ATOM 647 O OD2 . ASP A 1 84 ? 68.600 26.647 7.467 1.00 11.47 ? 84 ASP A OD2 1 +ATOM 648 N N . ILE A 1 85 ? 63.373 26.815 8.555 1.00 6.20 ? 85 ILE A N 1 +ATOM 649 C CA . ILE A 1 85 ? 62.234 27.034 9.431 1.00 5.75 ? 85 ILE A CA 1 +ATOM 650 C C . ILE A 1 85 ? 61.020 26.233 8.965 1.00 5.53 ? 85 ILE A C 1 +ATOM 651 O O . ILE A 1 85 ? 60.356 25.583 9.775 1.00 5.34 ? 85 ILE A O 1 +ATOM 652 C CB . ILE A 1 85 ? 61.881 28.544 9.525 1.00 5.78 ? 85 ILE A CB 1 +ATOM 653 C CG1 . ILE A 1 85 ? 62.940 29.256 10.377 1.00 6.07 ? 85 ILE A CG1 1 +ATOM 654 C CG2 . ILE A 1 85 ? 60.488 28.731 10.133 1.00 5.99 ? 85 ILE A CG2 1 +ATOM 655 C CD1 . ILE A 1 85 ? 62.731 30.752 10.531 1.00 6.14 ? 85 ILE A CD1 1 +ATOM 656 N N . ALA A 1 86 ? 60.737 26.263 7.666 1.00 5.28 ? 86 ALA A N 1 +ATOM 657 C CA . ALA A 1 86 ? 59.593 25.528 7.136 1.00 5.19 ? 86 ALA A CA 1 +ATOM 658 C C . ALA A 1 86 ? 59.752 24.040 7.422 1.00 5.14 ? 86 ALA A C 1 +ATOM 659 O O . ALA A 1 86 ? 58.793 23.367 7.791 1.00 5.06 ? 86 ALA A O 1 +ATOM 660 C CB . ALA A 1 86 ? 59.457 25.765 5.629 1.00 5.30 ? 86 ALA A CB 1 +ATOM 661 N N . LEU A 1 87 ? 60.970 23.532 7.258 1.00 5.05 ? 87 LEU A N 1 +ATOM 662 C CA . LEU A 1 87 ? 61.244 22.123 7.503 1.00 5.06 ? 87 LEU A CA 1 +ATOM 663 C C . LEU A 1 87 ? 61.106 21.761 8.979 1.00 5.03 ? 87 LEU A C 1 +ATOM 664 O O . LEU A 1 87 ? 60.541 20.721 9.313 1.00 5.08 ? 87 LEU A O 1 +ATOM 665 C CB . LEU A 1 87 ? 62.647 21.757 7.012 1.00 5.33 ? 87 LEU A CB 1 +ATOM 666 C CG . LEU A 1 87 ? 63.065 20.300 7.231 1.00 5.49 ? 87 LEU A CG 1 +ATOM 667 C CD1 . LEU A 1 87 ? 62.067 19.368 6.559 1.00 5.69 ? 87 LEU A CD1 1 +ATOM 668 C CD2 . LEU A 1 87 ? 64.461 20.077 6.672 1.00 5.83 ? 87 LEU A CD2 1 +ATOM 669 N N . ALA A 1 88 ? 61.630 22.612 9.857 1.00 4.70 ? 88 ALA A N 1 +ATOM 670 C CA . ALA A 1 88 ? 61.546 22.372 11.293 1.00 4.47 ? 88 ALA A CA 1 +ATOM 671 C C . ALA A 1 88 ? 60.087 22.334 11.746 1.00 4.35 ? 88 ALA A C 1 +ATOM 672 O O . ALA A 1 88 ? 59.706 21.468 12.530 1.00 4.25 ? 88 ALA A O 1 +ATOM 673 C CB . ALA A 1 88 ? 62.315 23.451 12.051 1.00 4.82 ? 88 ALA A CB 1 +ATOM 674 N N . GLU A 1 89 ? 59.270 23.264 11.252 1.00 4.30 ? 89 GLU A N 1 +ATOM 675 C CA . GLU A 1 89 ? 57.854 23.293 11.619 1.00 4.32 ? 89 GLU A CA 1 +ATOM 676 C C . GLU A 1 89 ? 57.151 22.041 11.104 1.00 4.41 ? 89 GLU A C 1 +ATOM 677 O O . GLU A 1 89 ? 56.300 21.474 11.785 1.00 4.50 ? 89 GLU A O 1 +ATOM 678 C CB . GLU A 1 89 ? 57.171 24.545 11.059 1.00 4.73 ? 89 GLU A CB 1 +ATOM 679 C CG . GLU A 1 89 ? 57.755 25.842 11.602 1.00 5.28 ? 89 GLU A CG 1 +ATOM 680 C CD . GLU A 1 89 ? 56.968 27.064 11.184 1.00 5.98 ? 89 GLU A CD 1 +ATOM 681 O OE1 . GLU A 1 89 ? 56.168 26.968 10.235 1.00 6.84 ? 89 GLU A OE1 1 +ATOM 682 O OE2 . GLU A 1 89 ? 57.158 28.131 11.799 1.00 6.80 ? 89 GLU A OE2 1 +ATOM 683 N N . THR A 1 90 ? 57.521 21.607 9.905 1.00 4.36 ? 90 THR A N 1 +ATOM 684 C CA . THR A 1 90 ? 56.934 20.417 9.308 1.00 4.60 ? 90 THR A CA 1 +ATOM 685 C C . THR A 1 90 ? 57.308 19.165 10.102 1.00 4.84 ? 90 THR A C 1 +ATOM 686 O O . THR A 1 90 ? 56.468 18.294 10.333 1.00 4.74 ? 90 THR A O 1 +ATOM 687 C CB . THR A 1 90 ? 57.365 20.292 7.827 1.00 4.50 ? 90 THR A CB 1 +ATOM 688 O OG1 . THR A 1 90 ? 56.833 21.409 7.093 1.00 4.84 ? 90 THR A OG1 1 +ATOM 689 C CG2 . THR A 1 90 ? 56.840 18.998 7.211 1.00 4.54 ? 90 THR A CG2 1 +ATOM 690 N N . ARG A 1 91 ? 58.559 19.079 10.543 1.00 4.87 ? 91 ARG A N 1 +ATOM 691 C CA . ARG A 1 91 ? 58.982 17.928 11.333 1.00 5.12 ? 91 ARG A CA 1 +ATOM 692 C C . ARG A 1 91 ? 58.256 17.940 12.680 1.00 4.82 ? 91 ARG A C 1 +ATOM 693 O O . ARG A 1 91 ? 57.915 16.887 13.219 1.00 4.48 ? 91 ARG A O 1 +ATOM 694 C CB . ARG A 1 91 ? 60.501 17.944 11.542 1.00 6.31 ? 91 ARG A CB 1 +ATOM 695 C CG . ARG A 1 91 ? 61.300 17.586 10.289 1.00 8.05 ? 91 ARG A CG 1 +ATOM 696 C CD . ARG A 1 91 ? 62.802 17.655 10.547 1.00 10.06 ? 91 ARG A CD 1 +ATOM 697 N NE . ARG A 1 91 ? 63.598 17.358 9.357 1.00 11.94 ? 91 ARG A NE 1 +ATOM 698 C CZ . ARG A 1 91 ? 64.918 17.513 9.279 1.00 12.88 ? 91 ARG A CZ 1 +ATOM 699 N NH1 . ARG A 1 91 ? 65.603 17.966 10.323 1.00 13.84 ? 91 ARG A NH1 1 +ATOM 700 N NH2 . ARG A 1 91 ? 65.559 17.210 8.159 1.00 13.62 ? 91 ARG A NH2 1 +ATOM 701 N N . ALA A 1 92 ? 58.005 19.131 13.218 1.00 4.44 ? 92 ALA A N 1 +ATOM 702 C CA . ALA A 1 92 ? 57.296 19.239 14.488 1.00 4.72 ? 92 ALA A CA 1 +ATOM 703 C C . ALA A 1 92 ? 55.851 18.779 14.304 1.00 4.50 ? 92 ALA A C 1 +ATOM 704 O O . ALA A 1 92 ? 55.308 18.054 15.143 1.00 4.57 ? 92 ALA A O 1 +ATOM 705 C CB . ALA A 1 92 ? 57.334 20.677 14.999 1.00 4.57 ? 92 ALA A CB 1 +ATOM 706 N N . ALA A 1 93 ? 55.232 19.192 13.200 1.00 4.74 ? 93 ALA A N 1 +ATOM 707 C CA . ALA A 1 93 ? 53.856 18.806 12.902 1.00 4.62 ? 93 ALA A CA 1 +ATOM 708 C C . ALA A 1 93 ? 53.760 17.282 12.817 1.00 4.65 ? 93 ALA A C 1 +ATOM 709 O O . ALA A 1 93 ? 52.806 16.677 13.320 1.00 4.71 ? 93 ALA A O 1 +ATOM 710 C CB . ALA A 1 93 ? 53.413 19.438 11.587 1.00 4.72 ? 93 ALA A CB 1 +ATOM 711 N N . ILE A 1 94 ? 54.745 16.668 12.169 1.00 4.84 ? 94 ILE A N 1 +ATOM 712 C CA . ILE A 1 94 ? 54.785 15.217 12.039 1.00 5.25 ? 94 ILE A CA 1 +ATOM 713 C C . ILE A 1 94 ? 54.900 14.580 13.428 1.00 5.32 ? 94 ILE A C 1 +ATOM 714 O O . ILE A 1 94 ? 54.190 13.621 13.741 1.00 5.54 ? 94 ILE A O 1 +ATOM 715 C CB . ILE A 1 94 ? 55.976 14.791 11.148 1.00 5.65 ? 94 ILE A CB 1 +ATOM 716 C CG1 . ILE A 1 94 ? 55.709 15.232 9.706 1.00 5.93 ? 94 ILE A CG1 1 +ATOM 717 C CG2 . ILE A 1 94 ? 56.188 13.283 11.220 1.00 5.96 ? 94 ILE A CG2 1 +ATOM 718 C CD1 . ILE A 1 94 ? 56.908 15.128 8.786 1.00 6.54 ? 94 ILE A CD1 1 +ATOM 719 N N . ALA A 1 95 ? 55.783 15.127 14.262 1.00 5.13 ? 95 ALA A N 1 +ATOM 720 C CA . ALA A 1 95 ? 55.984 14.625 15.620 1.00 5.26 ? 95 ALA A CA 1 +ATOM 721 C C . ALA A 1 95 ? 54.722 14.738 16.476 1.00 5.27 ? 95 ALA A C 1 +ATOM 722 O O . ALA A 1 95 ? 54.469 13.883 17.327 1.00 5.83 ? 95 ALA A O 1 +ATOM 723 C CB . ALA A 1 95 ? 57.140 15.366 16.285 1.00 5.12 ? 95 ALA A CB 1 +ATOM 724 N N . TYR A 1 96 ? 53.935 15.793 16.270 1.00 5.12 ? 96 TYR A N 1 +ATOM 725 C CA . TYR A 1 96 ? 52.690 15.970 17.019 1.00 5.04 ? 96 TYR A CA 1 +ATOM 726 C C . TYR A 1 96 ? 51.706 14.867 16.639 1.00 5.21 ? 96 TYR A C 1 +ATOM 727 O O . TYR A 1 96 ? 50.817 14.527 17.419 1.00 5.76 ? 96 TYR A O 1 +ATOM 728 C CB . TYR A 1 96 ? 52.038 17.316 16.701 1.00 4.91 ? 96 TYR A CB 1 +ATOM 729 C CG . TYR A 1 96 ? 52.515 18.497 17.513 1.00 4.34 ? 96 TYR A CG 1 +ATOM 730 C CD1 . TYR A 1 96 ? 52.375 18.523 18.901 1.00 4.36 ? 96 TYR A CD1 1 +ATOM 731 C CD2 . TYR A 1 96 ? 53.027 19.627 16.883 1.00 4.25 ? 96 TYR A CD2 1 +ATOM 732 C CE1 . TYR A 1 96 ? 52.726 19.655 19.638 1.00 4.58 ? 96 TYR A CE1 1 +ATOM 733 C CE2 . TYR A 1 96 ? 53.380 20.762 17.608 1.00 4.33 ? 96 TYR A CE2 1 +ATOM 734 C CZ . TYR A 1 96 ? 53.226 20.771 18.983 1.00 4.31 ? 96 TYR A CZ 1 +ATOM 735 O OH . TYR A 1 96 ? 53.563 21.901 19.698 1.00 4.96 ? 96 TYR A OH 1 +ATOM 736 N N . GLY A 1 97 ? 51.853 14.343 15.424 1.00 5.13 ? 97 GLY A N 1 +ATOM 737 C CA . GLY A 1 97 ? 50.979 13.280 14.953 1.00 5.35 ? 97 GLY A CA 1 +ATOM 738 C C . GLY A 1 97 ? 50.125 13.601 13.736 1.00 5.42 ? 97 GLY A C 1 +ATOM 739 O O . GLY A 1 97 ? 49.149 12.903 13.467 1.00 5.91 ? 97 GLY A O 1 +ATOM 740 N N . ALA A 1 98 ? 50.481 14.636 12.983 1.00 5.08 ? 98 ALA A N 1 +ATOM 741 C CA . ALA A 1 98 ? 49.698 15.005 11.809 1.00 5.02 ? 98 ALA A CA 1 +ATOM 742 C C . ALA A 1 98 ? 49.631 13.910 10.750 1.00 5.08 ? 98 ALA A C 1 +ATOM 743 O O . ALA A 1 98 ? 50.586 13.167 10.547 1.00 5.15 ? 98 ALA A O 1 +ATOM 744 C CB . ALA A 1 98 ? 50.269 16.272 11.183 1.00 4.83 ? 98 ALA A CB 1 +ATOM 745 N N . ASP A 1 99 ? 48.485 13.808 10.085 1.00 4.91 ? 99 ASP A N 1 +ATOM 746 C CA . ASP A 1 99 ? 48.327 12.848 8.998 1.00 4.96 ? 99 ASP A CA 1 +ATOM 747 C C . ASP A 1 99 ? 48.707 13.565 7.709 1.00 4.77 ? 99 ASP A C 1 +ATOM 748 O O . ASP A 1 99 ? 49.161 12.947 6.750 1.00 5.03 ? 99 ASP A O 1 +ATOM 749 C CB . ASP A 1 99 ? 46.875 12.375 8.864 1.00 5.20 ? 99 ASP A CB 1 +ATOM 750 C CG . ASP A 1 99 ? 46.429 11.513 10.017 1.00 5.74 ? 99 ASP A CG 1 +ATOM 751 O OD1 . ASP A 1 99 ? 47.188 10.597 10.396 1.00 6.55 ? 99 ASP A OD1 1 +ATOM 752 O OD2 . ASP A 1 99 ? 45.315 11.749 10.534 1.00 6.03 ? 99 ASP A OD2 1 +ATOM 753 N N . GLU A 1 100 ? 48.507 14.881 7.697 1.00 4.81 ? 100 GLU A N 1 +ATOM 754 C CA . GLU A 1 100 ? 48.788 15.697 6.521 1.00 4.71 ? 100 GLU A CA 1 +ATOM 755 C C . GLU A 1 100 ? 49.282 17.079 6.934 1.00 4.39 ? 100 GLU A C 1 +ATOM 756 O O . GLU A 1 100 ? 48.860 17.619 7.957 1.00 4.37 ? 100 GLU A O 1 +ATOM 757 C CB . GLU A 1 100 ? 47.516 15.846 5.679 1.00 5.24 ? 100 GLU A CB 1 +ATOM 758 C CG . GLU A 1 100 ? 46.726 14.550 5.535 1.00 5.97 ? 100 GLU A CG 1 +ATOM 759 C CD . GLU A 1 100 ? 45.490 14.691 4.668 1.00 6.14 ? 100 GLU A CD 1 +ATOM 760 O OE1 . GLU A 1 100 ? 44.970 15.819 4.539 1.00 6.27 ? 100 GLU A OE1 1 +ATOM 761 O OE2 . GLU A 1 100 ? 45.030 13.664 4.129 1.00 6.72 ? 100 GLU A OE2 1 +ATOM 762 N N . VAL A 1 101 ? 50.180 17.644 6.136 1.00 4.26 ? 101 VAL A N 1 +ATOM 763 C CA . VAL A 1 101 ? 50.724 18.970 6.397 1.00 4.57 ? 101 VAL A CA 1 +ATOM 764 C C . VAL A 1 101 ? 50.476 19.852 5.181 1.00 4.50 ? 101 VAL A C 1 +ATOM 765 O O . VAL A 1 101 ? 50.837 19.486 4.064 1.00 4.71 ? 101 VAL A O 1 +ATOM 766 C CB . VAL A 1 101 ? 52.250 18.920 6.666 1.00 4.87 ? 101 VAL A CB 1 +ATOM 767 C CG1 . VAL A 1 101 ? 52.803 20.341 6.808 1.00 5.25 ? 101 VAL A CG1 1 +ATOM 768 C CG2 . VAL A 1 101 ? 52.526 18.125 7.938 1.00 5.20 ? 101 VAL A CG2 1 +ATOM 769 N N . ASP A 1 102 ? 49.837 20.995 5.407 1.00 4.59 ? 102 ASP A N 1 +ATOM 770 C CA . ASP A 1 102 ? 49.554 21.961 4.349 1.00 4.59 ? 102 ASP A CA 1 +ATOM 771 C C . ASP A 1 102 ? 50.585 23.079 4.548 1.00 4.30 ? 102 ASP A C 1 +ATOM 772 O O . ASP A 1 102 ? 50.431 23.920 5.438 1.00 4.46 ? 102 ASP A O 1 +ATOM 773 C CB . ASP A 1 102 ? 48.141 22.538 4.511 1.00 4.99 ? 102 ASP A CB 1 +ATOM 774 C CG . ASP A 1 102 ? 47.028 21.513 4.260 1.00 5.52 ? 102 ASP A CG 1 +ATOM 775 O OD1 . ASP A 1 102 ? 47.260 20.288 4.363 1.00 5.57 ? 102 ASP A OD1 1 +ATOM 776 O OD2 . ASP A 1 102 ? 45.888 21.952 3.979 1.00 6.05 ? 102 ASP A OD2 1 +ATOM 777 N N . VAL A 1 103 ? 51.634 23.089 3.730 1.00 4.09 ? 103 VAL A N 1 +ATOM 778 C CA . VAL A 1 103 ? 52.696 24.087 3.856 1.00 4.11 ? 103 VAL A CA 1 +ATOM 779 C C . VAL A 1 103 ? 52.505 25.248 2.887 1.00 3.86 ? 103 VAL A C 1 +ATOM 780 O O . VAL A 1 103 ? 52.022 25.055 1.771 1.00 4.01 ? 103 VAL A O 1 +ATOM 781 C CB . VAL A 1 103 ? 54.085 23.436 3.599 1.00 4.07 ? 103 VAL A CB 1 +ATOM 782 C CG1 . VAL A 1 103 ? 54.215 23.029 2.136 1.00 4.19 ? 103 VAL A CG1 1 +ATOM 783 C CG2 . VAL A 1 103 ? 55.203 24.391 3.991 1.00 4.29 ? 103 VAL A CG2 1 +ATOM 784 N N . VAL A 1 104 ? 52.873 26.456 3.311 1.00 3.73 ? 104 VAL A N 1 +ATOM 785 C CA . VAL A 1 104 ? 52.737 27.616 2.433 1.00 3.88 ? 104 VAL A CA 1 +ATOM 786 C C . VAL A 1 104 ? 53.981 27.793 1.569 1.00 4.01 ? 104 VAL A C 1 +ATOM 787 O O . VAL A 1 104 ? 55.106 27.878 2.068 1.00 4.18 ? 104 VAL A O 1 +ATOM 788 C CB . VAL A 1 104 ? 52.487 28.942 3.217 1.00 3.78 ? 104 VAL A CB 1 +ATOM 789 C CG1 . VAL A 1 104 ? 52.201 30.082 2.232 1.00 4.33 ? 104 VAL A CG1 1 +ATOM 790 C CG2 . VAL A 1 104 ? 51.308 28.785 4.172 1.00 3.83 ? 104 VAL A CG2 1 +ATOM 791 N N . PHE A 1 105 ? 53.754 27.818 0.263 1.00 3.97 ? 105 PHE A N 1 +ATOM 792 C CA . PHE A 1 105 ? 54.797 28.002 -0.741 1.00 4.09 ? 105 PHE A CA 1 +ATOM 793 C C . PHE A 1 105 ? 55.392 29.411 -0.588 1.00 4.50 ? 105 PHE A C 1 +ATOM 794 O O . PHE A 1 105 ? 54.687 30.344 -0.208 1.00 4.37 ? 105 PHE A O 1 +ATOM 795 C CB . PHE A 1 105 ? 54.142 27.833 -2.120 1.00 4.37 ? 105 PHE A CB 1 +ATOM 796 C CG . PHE A 1 105 ? 55.084 27.953 -3.287 1.00 4.21 ? 105 PHE A CG 1 +ATOM 797 C CD1 . PHE A 1 105 ? 55.399 29.195 -3.831 1.00 4.70 ? 105 PHE A CD1 1 +ATOM 798 C CD2 . PHE A 1 105 ? 55.609 26.810 -3.879 1.00 4.61 ? 105 PHE A CD2 1 +ATOM 799 C CE1 . PHE A 1 105 ? 56.219 29.294 -4.955 1.00 4.34 ? 105 PHE A CE1 1 +ATOM 800 C CE2 . PHE A 1 105 ? 56.430 26.897 -5.002 1.00 4.71 ? 105 PHE A CE2 1 +ATOM 801 C CZ . PHE A 1 105 ? 56.735 28.142 -5.543 1.00 4.67 ? 105 PHE A CZ 1 +ATOM 802 N N . PRO A 1 106 ? 56.703 29.578 -0.849 1.00 4.50 ? 106 PRO A N 1 +ATOM 803 C CA . PRO A 1 106 ? 57.315 30.910 -0.727 1.00 4.82 ? 106 PRO A CA 1 +ATOM 804 C C . PRO A 1 106 ? 56.920 31.736 -1.953 1.00 4.81 ? 106 PRO A C 1 +ATOM 805 O O . PRO A 1 106 ? 57.724 31.973 -2.866 1.00 5.10 ? 106 PRO A O 1 +ATOM 806 C CB . PRO A 1 106 ? 58.810 30.600 -0.664 1.00 4.72 ? 106 PRO A CB 1 +ATOM 807 C CG . PRO A 1 106 ? 58.935 29.378 -1.506 1.00 4.88 ? 106 PRO A CG 1 +ATOM 808 C CD . PRO A 1 106 ? 57.722 28.550 -1.128 1.00 4.49 ? 106 PRO A CD 1 +ATOM 809 N N . TYR A 1 107 ? 55.668 32.184 -1.956 1.00 4.83 ? 107 TYR A N 1 +ATOM 810 C CA . TYR A 1 107 ? 55.127 32.926 -3.083 1.00 4.99 ? 107 TYR A CA 1 +ATOM 811 C C . TYR A 1 107 ? 55.701 34.313 -3.327 1.00 5.29 ? 107 TYR A C 1 +ATOM 812 O O . TYR A 1 107 ? 55.814 34.731 -4.477 1.00 5.21 ? 107 TYR A O 1 +ATOM 813 C CB . TYR A 1 107 ? 53.594 32.968 -2.987 1.00 4.91 ? 107 TYR A CB 1 +ATOM 814 C CG . TYR A 1 107 ? 53.030 33.752 -1.831 1.00 4.89 ? 107 TYR A CG 1 +ATOM 815 C CD1 . TYR A 1 107 ? 52.849 35.131 -1.930 1.00 5.28 ? 107 TYR A CD1 1 +ATOM 816 C CD2 . TYR A 1 107 ? 52.646 33.115 -0.648 1.00 4.85 ? 107 TYR A CD2 1 +ATOM 817 C CE1 . TYR A 1 107 ? 52.297 35.858 -0.888 1.00 5.47 ? 107 TYR A CE1 1 +ATOM 818 C CE2 . TYR A 1 107 ? 52.092 33.837 0.409 1.00 5.45 ? 107 TYR A CE2 1 +ATOM 819 C CZ . TYR A 1 107 ? 51.918 35.210 0.278 1.00 5.62 ? 107 TYR A CZ 1 +ATOM 820 O OH . TYR A 1 107 ? 51.360 35.947 1.299 1.00 6.34 ? 107 TYR A OH 1 +ATOM 821 N N . ARG A 1 108 ? 56.072 35.033 -2.273 1.00 5.41 ? 108 ARG A N 1 +ATOM 822 C CA . ARG A 1 108 ? 56.655 36.353 -2.486 1.00 5.97 ? 108 ARG A CA 1 +ATOM 823 C C . ARG A 1 108 ? 58.017 36.195 -3.162 1.00 5.87 ? 108 ARG A C 1 +ATOM 824 O O . ARG A 1 108 ? 58.396 37.001 -4.014 1.00 5.90 ? 108 ARG A O 1 +ATOM 825 C CB . ARG A 1 108 ? 56.798 37.113 -1.164 1.00 6.84 ? 108 ARG A CB 1 +ATOM 826 C CG . ARG A 1 108 ? 55.481 37.641 -0.605 1.00 8.48 ? 108 ARG A CG 1 +ATOM 827 C CD . ARG A 1 108 ? 55.738 38.523 0.604 1.00 10.28 ? 108 ARG A CD 1 +ATOM 828 N NE . ARG A 1 108 ? 56.520 37.809 1.607 1.00 11.85 ? 108 ARG A NE 1 +ATOM 829 C CZ . ARG A 1 108 ? 56.017 36.916 2.450 1.00 12.61 ? 108 ARG A CZ 1 +ATOM 830 N NH1 . ARG A 1 108 ? 54.721 36.633 2.424 1.00 13.59 ? 108 ARG A NH1 1 +ATOM 831 N NH2 . ARG A 1 108 ? 56.814 36.281 3.297 1.00 12.72 ? 108 ARG A NH2 1 +ATOM 832 N N . ALA A 1 109 ? 58.749 35.149 -2.791 1.00 5.79 ? 109 ALA A N 1 +ATOM 833 C CA . ALA A 1 109 ? 60.051 34.899 -3.395 1.00 5.58 ? 109 ALA A CA 1 +ATOM 834 C C . ALA A 1 109 ? 59.868 34.619 -4.886 1.00 5.61 ? 109 ALA A C 1 +ATOM 835 O O . ALA A 1 109 ? 60.637 35.100 -5.717 1.00 5.50 ? 109 ALA A O 1 +ATOM 836 C CB . ALA A 1 109 ? 60.734 33.718 -2.710 1.00 6.04 ? 109 ALA A CB 1 +ATOM 837 N N . LEU A 1 110 ? 58.848 33.840 -5.226 1.00 5.74 ? 110 LEU A N 1 +ATOM 838 C CA . LEU A 1 110 ? 58.593 33.536 -6.626 1.00 5.93 ? 110 LEU A CA 1 +ATOM 839 C C . LEU A 1 110 ? 58.277 34.825 -7.376 1.00 6.07 ? 110 LEU A C 1 +ATOM 840 O O . LEU A 1 110 ? 58.788 35.060 -8.472 1.00 6.02 ? 110 LEU A O 1 +ATOM 841 C CB . LEU A 1 110 ? 57.420 32.562 -6.767 1.00 6.12 ? 110 LEU A CB 1 +ATOM 842 C CG . LEU A 1 110 ? 56.987 32.306 -8.218 1.00 6.08 ? 110 LEU A CG 1 +ATOM 843 C CD1 . LEU A 1 110 ? 58.121 31.637 -8.996 1.00 6.42 ? 110 LEU A CD1 1 +ATOM 844 C CD2 . LEU A 1 110 ? 55.739 31.434 -8.227 1.00 6.45 ? 110 LEU A CD2 1 +ATOM 845 N N . MET A 1 111 ? 57.429 35.658 -6.782 1.00 6.04 ? 111 MET A N 1 +ATOM 846 C CA . MET A 1 111 ? 57.049 36.921 -7.400 1.00 6.65 ? 111 MET A CA 1 +ATOM 847 C C . MET A 1 111 ? 58.269 37.812 -7.619 1.00 6.46 ? 111 MET A C 1 +ATOM 848 O O . MET A 1 111 ? 58.312 38.587 -8.574 1.00 6.56 ? 111 MET A O 1 +ATOM 849 C CB . MET A 1 111 ? 56.012 37.630 -6.529 1.00 7.26 ? 111 MET A CB 1 +ATOM 850 C CG . MET A 1 111 ? 54.677 36.895 -6.461 1.00 8.21 ? 111 MET A CG 1 +ATOM 851 S SD . MET A 1 111 ? 53.582 37.473 -5.140 1.00 9.35 ? 111 MET A SD 1 +ATOM 852 C CE . MET A 1 111 ? 52.927 38.975 -5.873 1.00 9.67 ? 111 MET A CE 1 +ATOM 853 N N . ALA A 1 112 ? 59.262 37.689 -6.741 1.00 6.38 ? 112 ALA A N 1 +ATOM 854 C CA . ALA A 1 112 ? 60.485 38.482 -6.849 1.00 6.25 ? 112 ALA A CA 1 +ATOM 855 C C . ALA A 1 112 ? 61.467 37.881 -7.856 1.00 6.47 ? 112 ALA A C 1 +ATOM 856 O O . ALA A 1 112 ? 62.512 38.474 -8.137 1.00 6.54 ? 112 ALA A O 1 +ATOM 857 C CB . ALA A 1 112 ? 61.149 38.612 -5.483 1.00 6.29 ? 112 ALA A CB 1 +ATOM 858 N N . GLY A 1 113 ? 61.130 36.706 -8.387 1.00 6.56 ? 113 GLY A N 1 +ATOM 859 C CA . GLY A 1 113 ? 61.979 36.063 -9.378 1.00 7.00 ? 113 GLY A CA 1 +ATOM 860 C C . GLY A 1 113 ? 62.695 34.785 -8.977 1.00 7.16 ? 113 GLY A C 1 +ATOM 861 O O . GLY A 1 113 ? 63.451 34.227 -9.772 1.00 7.73 ? 113 GLY A O 1 +ATOM 862 N N . ASN A 1 114 ? 62.455 34.303 -7.763 1.00 6.92 ? 114 ASN A N 1 +ATOM 863 C CA . ASN A 1 114 ? 63.125 33.093 -7.294 1.00 7.08 ? 114 ASN A CA 1 +ATOM 864 C C . ASN A 1 114 ? 62.249 31.852 -7.435 1.00 7.34 ? 114 ASN A C 1 +ATOM 865 O O . ASN A 1 114 ? 61.385 31.597 -6.594 1.00 7.46 ? 114 ASN A O 1 +ATOM 866 C CB . ASN A 1 114 ? 63.529 33.259 -5.828 1.00 6.86 ? 114 ASN A CB 1 +ATOM 867 C CG . ASN A 1 114 ? 64.513 32.203 -5.370 1.00 6.97 ? 114 ASN A CG 1 +ATOM 868 O OD1 . ASN A 1 114 ? 64.603 31.127 -5.959 1.00 7.03 ? 114 ASN A OD1 1 +ATOM 869 N ND2 . ASN A 1 114 ? 65.247 32.502 -4.303 1.00 6.97 ? 114 ASN A ND2 1 +ATOM 870 N N . GLU A 1 115 ? 62.470 31.083 -8.495 1.00 7.69 ? 115 GLU A N 1 +ATOM 871 C CA . GLU A 1 115 ? 61.694 29.866 -8.715 1.00 8.25 ? 115 GLU A CA 1 +ATOM 872 C C . GLU A 1 115 ? 62.316 28.682 -7.981 1.00 8.02 ? 115 GLU A C 1 +ATOM 873 O O . GLU A 1 115 ? 61.630 27.716 -7.646 1.00 8.25 ? 115 GLU A O 1 +ATOM 874 C CB . GLU A 1 115 ? 61.623 29.530 -10.206 1.00 8.96 ? 115 GLU A CB 1 +ATOM 875 C CG . GLU A 1 115 ? 61.070 30.641 -11.082 1.00 10.62 ? 115 GLU A CG 1 +ATOM 876 C CD . GLU A 1 115 ? 60.777 30.173 -12.496 1.00 11.45 ? 115 GLU A CD 1 +ATOM 877 O OE1 . GLU A 1 115 ? 61.269 29.091 -12.880 1.00 12.44 ? 115 GLU A OE1 1 +ATOM 878 O OE2 . GLU A 1 115 ? 60.061 30.893 -13.226 1.00 12.56 ? 115 GLU A OE2 1 +ATOM 879 N N . GLN A 1 116 ? 63.615 28.768 -7.719 1.00 7.72 ? 116 GLN A N 1 +ATOM 880 C CA . GLN A 1 116 ? 64.331 27.682 -7.065 1.00 7.48 ? 116 GLN A CA 1 +ATOM 881 C C . GLN A 1 116 ? 63.988 27.440 -5.603 1.00 7.11 ? 116 GLN A C 1 +ATOM 882 O O . GLN A 1 116 ? 63.856 26.290 -5.186 1.00 6.97 ? 116 GLN A O 1 +ATOM 883 C CB . GLN A 1 116 ? 65.841 27.901 -7.198 1.00 8.05 ? 116 GLN A CB 1 +ATOM 884 C CG . GLN A 1 116 ? 66.681 26.686 -6.823 1.00 9.20 ? 116 GLN A CG 1 +ATOM 885 C CD . GLN A 1 116 ? 66.382 25.486 -7.705 1.00 10.00 ? 116 GLN A CD 1 +ATOM 886 O OE1 . GLN A 1 116 ? 66.328 25.603 -8.929 1.00 10.90 ? 116 GLN A OE1 1 +ATOM 887 N NE2 . GLN A 1 116 ? 66.194 24.326 -7.088 1.00 10.60 ? 116 GLN A NE2 1 +ATOM 888 N N . VAL A 1 117 ? 63.843 28.504 -4.820 1.00 6.59 ? 117 VAL A N 1 +ATOM 889 C CA . VAL A 1 117 ? 63.548 28.332 -3.403 1.00 6.66 ? 117 VAL A CA 1 +ATOM 890 C C . VAL A 1 117 ? 62.227 27.599 -3.173 1.00 6.35 ? 117 VAL A C 1 +ATOM 891 O O . VAL A 1 117 ? 62.122 26.784 -2.258 1.00 6.28 ? 117 VAL A O 1 +ATOM 892 C CB . VAL A 1 117 ? 63.563 29.697 -2.643 1.00 6.68 ? 117 VAL A CB 1 +ATOM 893 C CG1 . VAL A 1 117 ? 62.383 30.570 -3.059 1.00 7.13 ? 117 VAL A CG1 1 +ATOM 894 C CG2 . VAL A 1 117 ? 63.556 29.449 -1.139 1.00 7.08 ? 117 VAL A CG2 1 +ATOM 895 N N . GLY A 1 118 ? 61.229 27.872 -4.009 1.00 6.08 ? 118 GLY A N 1 +ATOM 896 C CA . GLY A 1 118 ? 59.947 27.200 -3.869 1.00 5.76 ? 118 GLY A CA 1 +ATOM 897 C C . GLY A 1 118 ? 60.096 25.709 -4.111 1.00 5.31 ? 118 GLY A C 1 +ATOM 898 O O . GLY A 1 118 ? 59.502 24.883 -3.412 1.00 5.76 ? 118 GLY A O 1 +ATOM 899 N N . PHE A 1 119 ? 60.892 25.356 -5.114 1.00 5.29 ? 119 PHE A N 1 +ATOM 900 C CA . PHE A 1 119 ? 61.121 23.956 -5.423 1.00 5.12 ? 119 PHE A CA 1 +ATOM 901 C C . PHE A 1 119 ? 61.849 23.295 -4.256 1.00 5.29 ? 119 PHE A C 1 +ATOM 902 O O . PHE A 1 119 ? 61.442 22.237 -3.779 1.00 4.99 ? 119 PHE A O 1 +ATOM 903 C CB . PHE A 1 119 ? 61.946 23.825 -6.708 1.00 5.15 ? 119 PHE A CB 1 +ATOM 904 C CG . PHE A 1 119 ? 62.264 22.404 -7.080 1.00 5.27 ? 119 PHE A CG 1 +ATOM 905 C CD1 . PHE A 1 119 ? 63.366 21.755 -6.531 1.00 5.75 ? 119 PHE A CD1 1 +ATOM 906 C CD2 . PHE A 1 119 ? 61.448 21.708 -7.963 1.00 5.43 ? 119 PHE A CD2 1 +ATOM 907 C CE1 . PHE A 1 119 ? 63.650 20.432 -6.857 1.00 5.91 ? 119 PHE A CE1 1 +ATOM 908 C CE2 . PHE A 1 119 ? 61.721 20.384 -8.297 1.00 5.56 ? 119 PHE A CE2 1 +ATOM 909 C CZ . PHE A 1 119 ? 62.825 19.744 -7.743 1.00 5.82 ? 119 PHE A CZ 1 +ATOM 910 N N . ASP A 1 120 ? 62.910 23.938 -3.778 1.00 5.53 ? 120 ASP A N 1 +ATOM 911 C CA . ASP A 1 120 ? 63.687 23.388 -2.672 1.00 5.89 ? 120 ASP A CA 1 +ATOM 912 C C . ASP A 1 120 ? 62.896 23.264 -1.370 1.00 5.72 ? 120 ASP A C 1 +ATOM 913 O O . ASP A 1 120 ? 63.047 22.287 -0.638 1.00 5.71 ? 120 ASP A O 1 +ATOM 914 C CB . ASP A 1 120 ? 64.933 24.236 -2.409 1.00 6.64 ? 120 ASP A CB 1 +ATOM 915 C CG . ASP A 1 120 ? 65.920 24.216 -3.560 1.00 7.58 ? 120 ASP A CG 1 +ATOM 916 O OD1 . ASP A 1 120 ? 65.853 23.305 -4.412 1.00 8.27 ? 120 ASP A OD1 1 +ATOM 917 O OD2 . ASP A 1 120 ? 66.783 25.118 -3.595 1.00 8.70 ? 120 ASP A OD2 1 +ATOM 918 N N . LEU A 1 121 ? 62.057 24.251 -1.076 1.00 5.49 ? 121 LEU A N 1 +ATOM 919 C CA . LEU A 1 121 ? 61.274 24.227 0.155 1.00 5.42 ? 121 LEU A CA 1 +ATOM 920 C C . LEU A 1 121 ? 60.251 23.100 0.129 1.00 5.39 ? 121 LEU A C 1 +ATOM 921 O O . LEU A 1 121 ? 60.147 22.326 1.080 1.00 5.37 ? 121 LEU A O 1 +ATOM 922 C CB . LEU A 1 121 ? 60.581 25.579 0.363 1.00 5.44 ? 121 LEU A CB 1 +ATOM 923 C CG . LEU A 1 121 ? 59.962 25.844 1.739 1.00 5.40 ? 121 LEU A CG 1 +ATOM 924 C CD1 . LEU A 1 121 ? 59.977 27.339 2.029 1.00 5.70 ? 121 LEU A CD1 1 +ATOM 925 C CD2 . LEU A 1 121 ? 58.547 25.292 1.794 1.00 5.63 ? 121 LEU A CD2 1 +ATOM 926 N N . VAL A 1 122 ? 59.497 22.999 -0.960 1.00 5.42 ? 122 VAL A N 1 +ATOM 927 C CA . VAL A 1 122 ? 58.503 21.944 -1.073 1.00 5.34 ? 122 VAL A CA 1 +ATOM 928 C C . VAL A 1 122 ? 59.178 20.576 -1.059 1.00 5.46 ? 122 VAL A C 1 +ATOM 929 O O . VAL A 1 122 ? 58.708 19.656 -0.396 1.00 5.13 ? 122 VAL A O 1 +ATOM 930 C CB . VAL A 1 122 ? 57.671 22.095 -2.367 1.00 5.26 ? 122 VAL A CB 1 +ATOM 931 C CG1 . VAL A 1 122 ? 56.777 20.877 -2.562 1.00 5.44 ? 122 VAL A CG1 1 +ATOM 932 C CG2 . VAL A 1 122 ? 56.826 23.350 -2.288 1.00 5.61 ? 122 VAL A CG2 1 +ATOM 933 N N . LYS A 1 123 ? 60.286 20.440 -1.780 1.00 5.72 ? 123 LYS A N 1 +ATOM 934 C CA . LYS A 1 123 ? 60.987 19.161 -1.821 1.00 6.12 ? 123 LYS A CA 1 +ATOM 935 C C . LYS A 1 123 ? 61.456 18.728 -0.434 1.00 5.93 ? 123 LYS A C 1 +ATOM 936 O O . LYS A 1 123 ? 61.302 17.566 -0.057 1.00 5.63 ? 123 LYS A O 1 +ATOM 937 C CB . LYS A 1 123 ? 62.176 19.238 -2.781 1.00 7.07 ? 123 LYS A CB 1 +ATOM 938 C CG . LYS A 1 123 ? 62.902 17.910 -2.960 1.00 8.58 ? 123 LYS A CG 1 +ATOM 939 C CD . LYS A 1 123 ? 64.002 18.007 -4.009 1.00 10.12 ? 123 LYS A CD 1 +ATOM 940 C CE . LYS A 1 123 ? 64.704 16.668 -4.199 1.00 11.24 ? 123 LYS A CE 1 +ATOM 941 N NZ . LYS A 1 123 ? 65.772 16.741 -5.238 1.00 12.57 ? 123 LYS A NZ 1 +ATOM 942 N N . ALA A 1 124 ? 62.019 19.658 0.333 1.00 5.90 ? 124 ALA A N 1 +ATOM 943 C CA . ALA A 1 124 ? 62.492 19.332 1.677 1.00 5.74 ? 124 ALA A CA 1 +ATOM 944 C C . ALA A 1 124 ? 61.349 18.874 2.582 1.00 5.93 ? 124 ALA A C 1 +ATOM 945 O O . ALA A 1 124 ? 61.478 17.890 3.308 1.00 5.72 ? 124 ALA A O 1 +ATOM 946 C CB . ALA A 1 124 ? 63.194 20.535 2.288 1.00 5.88 ? 124 ALA A CB 1 +ATOM 947 N N . CYS A 1 125 ? 60.227 19.584 2.534 1.00 6.08 ? 125 CYS A N 1 +ATOM 948 C CA . CYS A 1 125 ? 59.083 19.235 3.366 1.00 7.05 ? 125 CYS A CA 1 +ATOM 949 C C . CYS A 1 125 ? 58.470 17.918 2.915 1.00 6.17 ? 125 CYS A C 1 +ATOM 950 O O . CYS A 1 125 ? 58.048 17.111 3.746 1.00 5.62 ? 125 CYS A O 1 +ATOM 951 C CB . CYS A 1 125 ? 58.019 20.322 3.297 1.00 8.46 ? 125 CYS A CB 1 +ATOM 952 S SG . CYS A 1 125 ? 57.063 20.236 1.800 1.00 15.85 ? 125 CYS A SG 1 +ATOM 953 N N . LYS A 1 126 ? 58.404 17.707 1.602 1.00 5.77 ? 126 LYS A N 1 +ATOM 954 C CA . LYS A 1 126 ? 57.849 16.466 1.073 1.00 5.84 ? 126 LYS A CA 1 +ATOM 955 C C . LYS A 1 126 ? 58.697 15.288 1.540 1.00 6.12 ? 126 LYS A C 1 +ATOM 956 O O . LYS A 1 126 ? 58.165 14.248 1.908 1.00 6.05 ? 126 LYS A O 1 +ATOM 957 C CB . LYS A 1 126 ? 57.800 16.506 -0.459 1.00 5.79 ? 126 LYS A CB 1 +ATOM 958 C CG . LYS A 1 126 ? 57.422 15.176 -1.120 1.00 5.83 ? 126 LYS A CG 1 +ATOM 959 C CD . LYS A 1 126 ? 56.039 14.679 -0.705 1.00 6.02 ? 126 LYS A CD 1 +ATOM 960 C CE . LYS A 1 126 ? 55.714 13.318 -1.339 1.00 6.25 ? 126 LYS A CE 1 +ATOM 961 N NZ . LYS A 1 126 ? 55.611 13.393 -2.826 1.00 7.02 ? 126 LYS A NZ 1 +ATOM 962 N N . GLU A 1 127 ? 60.017 15.453 1.533 1.00 6.22 ? 127 GLU A N 1 +ATOM 963 C CA . GLU A 1 127 ? 60.895 14.374 1.967 1.00 6.55 ? 127 GLU A CA 1 +ATOM 964 C C . GLU A 1 127 ? 60.577 13.956 3.401 1.00 6.14 ? 127 GLU A C 1 +ATOM 965 O O . GLU A 1 127 ? 60.490 12.770 3.707 1.00 5.93 ? 127 GLU A O 1 +ATOM 966 C CB . GLU A 1 127 ? 62.365 14.793 1.868 1.00 7.46 ? 127 GLU A CB 1 +ATOM 967 C CG . GLU A 1 127 ? 63.325 13.725 2.382 1.00 8.64 ? 127 GLU A CG 1 +ATOM 968 C CD . GLU A 1 127 ? 64.788 14.116 2.260 1.00 9.51 ? 127 GLU A CD 1 +ATOM 969 O OE1 . GLU A 1 127 ? 65.138 15.247 2.657 1.00 10.26 ? 127 GLU A OE1 1 +ATOM 970 O OE2 . GLU A 1 127 ? 65.589 13.283 1.776 1.00 9.95 ? 127 GLU A OE2 1 +ATOM 971 N N . ALA A 1 128 ? 60.392 14.935 4.279 1.00 5.75 ? 128 ALA A N 1 +ATOM 972 C CA . ALA A 1 128 ? 60.086 14.649 5.674 1.00 5.48 ? 128 ALA A CA 1 +ATOM 973 C C . ALA A 1 128 ? 58.722 13.985 5.813 1.00 5.44 ? 128 ALA A C 1 +ATOM 974 O O . ALA A 1 128 ? 58.566 13.007 6.541 1.00 5.24 ? 128 ALA A O 1 +ATOM 975 C CB . ALA A 1 128 ? 60.129 15.933 6.493 1.00 5.55 ? 128 ALA A CB 1 +ATOM 976 N N . CYS A 1 129 ? 57.728 14.515 5.111 1.00 5.46 ? 129 CYS A N 1 +ATOM 977 C CA . CYS A 1 129 ? 56.389 13.948 5.191 1.00 5.41 ? 129 CYS A CA 1 +ATOM 978 C C . CYS A 1 129 ? 56.325 12.528 4.645 1.00 5.43 ? 129 CYS A C 1 +ATOM 979 O O . CYS A 1 129 ? 55.777 11.636 5.291 1.00 5.23 ? 129 CYS A O 1 +ATOM 980 C CB . CYS A 1 129 ? 55.394 14.841 4.448 1.00 5.31 ? 129 CYS A CB 1 +ATOM 981 S SG . CYS A 1 129 ? 55.070 16.421 5.280 1.00 5.90 ? 129 CYS A SG 1 +ATOM 982 N N . ALA A 1 130 ? 56.885 12.315 3.460 1.00 5.44 ? 130 ALA A N 1 +ATOM 983 C CA . ALA A 1 130 ? 56.877 10.991 2.852 1.00 5.63 ? 130 ALA A CA 1 +ATOM 984 C C . ALA A 1 130 ? 57.535 9.966 3.771 1.00 6.02 ? 130 ALA A C 1 +ATOM 985 O O . ALA A 1 130 ? 57.069 8.834 3.876 1.00 6.03 ? 130 ALA A O 1 +ATOM 986 C CB . ALA A 1 130 ? 57.597 11.029 1.512 1.00 5.94 ? 130 ALA A CB 1 +ATOM 987 N N . ALA A 1 131 ? 58.613 10.364 4.437 1.00 6.03 ? 131 ALA A N 1 +ATOM 988 C CA . ALA A 1 131 ? 59.324 9.460 5.338 1.00 6.28 ? 131 ALA A CA 1 +ATOM 989 C C . ALA A 1 131 ? 58.474 9.047 6.537 1.00 6.47 ? 131 ALA A C 1 +ATOM 990 O O . ALA A 1 131 ? 58.782 8.067 7.211 1.00 6.77 ? 131 ALA A O 1 +ATOM 991 C CB . ALA A 1 131 ? 60.615 10.110 5.810 1.00 6.54 ? 131 ALA A CB 1 +ATOM 992 N N . ALA A 1 132 ? 57.405 9.795 6.800 1.00 6.29 ? 132 ALA A N 1 +ATOM 993 C CA . ALA A 1 132 ? 56.518 9.501 7.923 1.00 6.47 ? 132 ALA A CA 1 +ATOM 994 C C . ALA A 1 132 ? 55.118 9.106 7.450 1.00 6.50 ? 132 ALA A C 1 +ATOM 995 O O . ALA A 1 132 ? 54.190 9.023 8.252 1.00 6.41 ? 132 ALA A O 1 +ATOM 996 C CB . ALA A 1 132 ? 56.428 10.718 8.845 1.00 6.32 ? 132 ALA A CB 1 +ATOM 997 N N . ASN A 1 133 ? 54.974 8.860 6.149 1.00 6.83 ? 133 ASN A N 1 +ATOM 998 C CA . ASN A 1 133 ? 53.685 8.489 5.564 1.00 7.18 ? 133 ASN A CA 1 +ATOM 999 C C . ASN A 1 133 ? 52.631 9.558 5.826 1.00 6.92 ? 133 ASN A C 1 +ATOM 1000 O O . ASN A 1 133 ? 51.481 9.267 6.159 1.00 7.33 ? 133 ASN A O 1 +ATOM 1001 C CB . ASN A 1 133 ? 53.225 7.136 6.106 1.00 8.13 ? 133 ASN A CB 1 +ATOM 1002 C CG . ASN A 1 133 ? 54.168 6.019 5.721 1.00 9.22 ? 133 ASN A CG 1 +ATOM 1003 O OD1 . ASN A 1 133 ? 54.456 5.816 4.541 1.00 10.52 ? 133 ASN A OD1 1 +ATOM 1004 N ND2 . ASN A 1 133 ? 54.660 5.290 6.713 1.00 10.27 ? 133 ASN A ND2 1 +ATOM 1005 N N . VAL A 1 134 ? 53.051 10.805 5.647 1.00 6.21 ? 134 VAL A N 1 +ATOM 1006 C CA . VAL A 1 134 ? 52.216 11.984 5.835 1.00 5.83 ? 134 VAL A CA 1 +ATOM 1007 C C . VAL A 1 134 ? 52.102 12.656 4.468 1.00 5.58 ? 134 VAL A C 1 +ATOM 1008 O O . VAL A 1 134 ? 53.094 12.773 3.758 1.00 5.42 ? 134 VAL A O 1 +ATOM 1009 C CB . VAL A 1 134 ? 52.888 12.943 6.855 1.00 5.55 ? 134 VAL A CB 1 +ATOM 1010 C CG1 . VAL A 1 134 ? 52.200 14.297 6.858 1.00 5.38 ? 134 VAL A CG1 1 +ATOM 1011 C CG2 . VAL A 1 134 ? 52.838 12.322 8.245 1.00 5.41 ? 134 VAL A CG2 1 +ATOM 1012 N N . LEU A 1 135 ? 50.894 13.062 4.082 1.00 5.64 ? 135 LEU A N 1 +ATOM 1013 C CA . LEU A 1 135 ? 50.705 13.727 2.795 1.00 5.60 ? 135 LEU A CA 1 +ATOM 1014 C C . LEU A 1 135 ? 51.035 15.205 2.926 1.00 5.14 ? 135 LEU A C 1 +ATOM 1015 O O . LEU A 1 135 ? 50.834 15.805 3.983 1.00 5.26 ? 135 LEU A O 1 +ATOM 1016 C CB . LEU A 1 135 ? 49.261 13.579 2.307 1.00 6.27 ? 135 LEU A CB 1 +ATOM 1017 C CG . LEU A 1 135 ? 48.754 12.180 1.954 1.00 6.97 ? 135 LEU A CG 1 +ATOM 1018 C CD1 . LEU A 1 135 ? 47.306 12.278 1.497 1.00 7.47 ? 135 LEU A CD1 1 +ATOM 1019 C CD2 . LEU A 1 135 ? 49.622 11.566 0.866 1.00 7.57 ? 135 LEU A CD2 1 +ATOM 1020 N N . LEU A 1 136 ? 51.542 15.791 1.848 1.00 4.87 ? 136 LEU A N 1 +ATOM 1021 C CA . LEU A 1 136 ? 51.895 17.199 1.846 1.00 4.50 ? 136 LEU A CA 1 +ATOM 1022 C C . LEU A 1 136 ? 51.070 17.998 0.849 1.00 4.37 ? 136 LEU A C 1 +ATOM 1023 O O . LEU A 1 136 ? 51.066 17.695 -0.345 1.00 4.45 ? 136 LEU A O 1 +ATOM 1024 C CB . LEU A 1 136 ? 53.372 17.377 1.497 1.00 4.75 ? 136 LEU A CB 1 +ATOM 1025 C CG . LEU A 1 136 ? 53.798 18.843 1.424 1.00 4.77 ? 136 LEU A CG 1 +ATOM 1026 C CD1 . LEU A 1 136 ? 54.168 19.352 2.817 1.00 5.22 ? 136 LEU A CD1 1 +ATOM 1027 C CD2 . LEU A 1 136 ? 54.964 18.964 0.463 1.00 5.49 ? 136 LEU A CD2 1 +ATOM 1028 N N . LYS A 1 137 ? 50.356 19.005 1.343 1.00 4.05 ? 137 LYS A N 1 +ATOM 1029 C CA . LYS A 1 137 ? 49.588 19.882 0.470 1.00 3.94 ? 137 LYS A CA 1 +ATOM 1030 C C . LYS A 1 137 ? 50.405 21.167 0.416 1.00 3.69 ? 137 LYS A C 1 +ATOM 1031 O O . LYS A 1 137 ? 51.074 21.528 1.391 1.00 3.71 ? 137 LYS A O 1 +ATOM 1032 C CB . LYS A 1 137 ? 48.199 20.196 1.045 1.00 3.77 ? 137 LYS A CB 1 +ATOM 1033 C CG . LYS A 1 137 ? 47.357 18.980 1.418 1.00 3.83 ? 137 LYS A CG 1 +ATOM 1034 C CD . LYS A 1 137 ? 45.879 19.359 1.483 1.00 4.41 ? 137 LYS A CD 1 +ATOM 1035 C CE . LYS A 1 137 ? 45.060 18.338 2.259 1.00 4.33 ? 137 LYS A CE 1 +ATOM 1036 N NZ . LYS A 1 137 ? 45.162 18.530 3.740 1.00 5.02 ? 137 LYS A NZ 1 +ATOM 1037 N N . VAL A 1 138 ? 50.369 21.853 -0.719 1.00 3.71 ? 138 VAL A N 1 +ATOM 1038 C CA . VAL A 1 138 ? 51.116 23.097 -0.857 1.00 4.02 ? 138 VAL A CA 1 +ATOM 1039 C C . VAL A 1 138 ? 50.191 24.266 -1.181 1.00 4.08 ? 138 VAL A C 1 +ATOM 1040 O O . VAL A 1 138 ? 49.494 24.260 -2.196 1.00 4.42 ? 138 VAL A O 1 +ATOM 1041 C CB . VAL A 1 138 ? 52.201 22.980 -1.951 1.00 3.93 ? 138 VAL A CB 1 +ATOM 1042 C CG1 . VAL A 1 138 ? 52.934 24.313 -2.108 1.00 4.02 ? 138 VAL A CG1 1 +ATOM 1043 C CG2 . VAL A 1 138 ? 53.187 21.877 -1.579 1.00 4.48 ? 138 VAL A CG2 1 +ATOM 1044 N N . ILE A 1 139 ? 50.189 25.264 -0.302 1.00 4.24 ? 139 ILE A N 1 +ATOM 1045 C CA . ILE A 1 139 ? 49.366 26.459 -0.463 1.00 4.34 ? 139 ILE A CA 1 +ATOM 1046 C C . ILE A 1 139 ? 50.155 27.486 -1.270 1.00 4.42 ? 139 ILE A C 1 +ATOM 1047 O O . ILE A 1 139 ? 51.215 27.938 -0.834 1.00 4.74 ? 139 ILE A O 1 +ATOM 1048 C CB . ILE A 1 139 ? 49.035 27.082 0.913 1.00 4.50 ? 139 ILE A CB 1 +ATOM 1049 C CG1 . ILE A 1 139 ? 48.360 26.046 1.816 1.00 4.66 ? 139 ILE A CG1 1 +ATOM 1050 C CG2 . ILE A 1 139 ? 48.147 28.306 0.732 1.00 4.76 ? 139 ILE A CG2 1 +ATOM 1051 C CD1 . ILE A 1 139 ? 48.403 26.412 3.298 1.00 5.04 ? 139 ILE A CD1 1 +ATOM 1052 N N . ILE A 1 140 ? 49.650 27.871 -2.439 1.00 4.49 ? 140 ILE A N 1 +ATOM 1053 C CA . ILE A 1 140 ? 50.378 28.841 -3.249 1.00 4.63 ? 140 ILE A CA 1 +ATOM 1054 C C . ILE A 1 140 ? 49.916 30.294 -3.090 1.00 4.75 ? 140 ILE A C 1 +ATOM 1055 O O . ILE A 1 140 ? 50.588 31.210 -3.557 1.00 4.86 ? 140 ILE A O 1 +ATOM 1056 C CB . ILE A 1 140 ? 50.372 28.449 -4.754 1.00 4.57 ? 140 ILE A CB 1 +ATOM 1057 C CG1 . ILE A 1 140 ? 48.949 28.419 -5.309 1.00 4.50 ? 140 ILE A CG1 1 +ATOM 1058 C CG2 . ILE A 1 140 ? 51.025 27.083 -4.932 1.00 4.75 ? 140 ILE A CG2 1 +ATOM 1059 C CD1 . ILE A 1 140 ? 48.911 28.288 -6.827 1.00 5.03 ? 140 ILE A CD1 1 +ATOM 1060 N N . GLU A 1 141 ? 48.789 30.492 -2.406 1.00 4.55 ? 141 GLU A N 1 +ATOM 1061 C CA . GLU A 1 141 ? 48.207 31.818 -2.155 1.00 4.60 ? 141 GLU A CA 1 +ATOM 1062 C C . GLU A 1 141 ? 47.871 32.560 -3.448 1.00 4.70 ? 141 GLU A C 1 +ATOM 1063 O O . GLU A 1 141 ? 48.443 33.611 -3.756 1.00 4.67 ? 141 GLU A O 1 +ATOM 1064 C CB . GLU A 1 141 ? 49.143 32.669 -1.285 1.00 4.53 ? 141 GLU A CB 1 +ATOM 1065 C CG . GLU A 1 141 ? 48.433 33.792 -0.515 1.00 4.51 ? 141 GLU A CG 1 +ATOM 1066 C CD . GLU A 1 141 ? 47.554 33.277 0.620 1.00 4.45 ? 141 GLU A CD 1 +ATOM 1067 O OE1 . GLU A 1 141 ? 46.530 32.607 0.349 1.00 4.94 ? 141 GLU A OE1 1 +ATOM 1068 O OE2 . GLU A 1 141 ? 47.889 33.549 1.794 1.00 4.63 ? 141 GLU A OE2 1 +ATOM 1069 N N . THR A 1 142 ? 46.922 31.997 -4.192 1.00 5.04 ? 142 THR A N 1 +ATOM 1070 C CA . THR A 1 142 ? 46.474 32.552 -5.463 1.00 5.44 ? 142 THR A CA 1 +ATOM 1071 C C . THR A 1 142 ? 46.042 34.016 -5.383 1.00 5.65 ? 142 THR A C 1 +ATOM 1072 O O . THR A 1 142 ? 46.237 34.774 -6.334 1.00 5.79 ? 142 THR A O 1 +ATOM 1073 C CB . THR A 1 142 ? 45.299 31.727 -6.024 1.00 5.54 ? 142 THR A CB 1 +ATOM 1074 O OG1 . THR A 1 142 ? 44.269 31.629 -5.034 1.00 5.88 ? 142 THR A OG1 1 +ATOM 1075 C CG2 . THR A 1 142 ? 45.764 30.330 -6.402 1.00 5.62 ? 142 THR A CG2 1 +ATOM 1076 N N . GLY A 1 143 ? 45.460 34.404 -4.250 1.00 6.02 ? 143 GLY A N 1 +ATOM 1077 C CA . GLY A 1 143 ? 44.998 35.770 -4.067 1.00 6.87 ? 143 GLY A CA 1 +ATOM 1078 C C . GLY A 1 143 ? 46.103 36.802 -4.116 1.00 7.36 ? 143 GLY A C 1 +ATOM 1079 O O . GLY A 1 143 ? 45.872 37.947 -4.508 1.00 8.18 ? 143 GLY A O 1 +ATOM 1080 N N . GLU A 1 144 ? 47.306 36.408 -3.711 1.00 7.66 ? 144 GLU A N 1 +ATOM 1081 C CA . GLU A 1 144 ? 48.446 37.314 -3.725 1.00 8.02 ? 144 GLU A CA 1 +ATOM 1082 C C . GLU A 1 144 ? 49.239 37.190 -5.023 1.00 7.96 ? 144 GLU A C 1 +ATOM 1083 O O . GLU A 1 144 ? 49.779 38.184 -5.517 1.00 7.80 ? 144 GLU A O 1 +ATOM 1084 C CB . GLU A 1 144 ? 49.347 37.048 -2.517 1.00 8.51 ? 144 GLU A CB 1 +ATOM 1085 C CG . GLU A 1 144 ? 48.704 37.425 -1.190 1.00 9.30 ? 144 GLU A CG 1 +ATOM 1086 C CD . GLU A 1 144 ? 48.280 38.882 -1.137 1.00 9.98 ? 144 GLU A CD 1 +ATOM 1087 O OE1 . GLU A 1 144 ? 49.148 39.762 -1.313 1.00 10.87 ? 144 GLU A OE1 1 +ATOM 1088 O OE2 . GLU A 1 144 ? 47.080 39.151 -0.919 1.00 10.71 ? 144 GLU A OE2 1 +ATOM 1089 N N . LEU A 1 145 ? 49.314 35.981 -5.576 1.00 7.92 ? 145 LEU A N 1 +ATOM 1090 C CA . LEU A 1 145 ? 50.025 35.779 -6.838 1.00 8.15 ? 145 LEU A CA 1 +ATOM 1091 C C . LEU A 1 145 ? 49.295 36.596 -7.898 1.00 8.57 ? 145 LEU A C 1 +ATOM 1092 O O . LEU A 1 145 ? 49.919 37.216 -8.757 1.00 8.43 ? 145 LEU A O 1 +ATOM 1093 C CB . LEU A 1 145 ? 50.041 34.297 -7.224 1.00 7.93 ? 145 LEU A CB 1 +ATOM 1094 C CG . LEU A 1 145 ? 50.947 33.405 -6.369 1.00 7.52 ? 145 LEU A CG 1 +ATOM 1095 C CD1 . LEU A 1 145 ? 50.779 31.950 -6.793 1.00 7.71 ? 145 LEU A CD1 1 +ATOM 1096 C CD2 . LEU A 1 145 ? 52.399 33.846 -6.516 1.00 7.86 ? 145 LEU A CD2 1 +ATOM 1097 N N . LYS A 1 146 ? 47.966 36.564 -7.831 1.00 9.05 ? 146 LYS A N 1 +ATOM 1098 C CA . LYS A 1 146 ? 47.102 37.333 -8.723 1.00 9.98 ? 146 LYS A CA 1 +ATOM 1099 C C . LYS A 1 146 ? 47.087 36.963 -10.205 1.00 9.98 ? 146 LYS A C 1 +ATOM 1100 O O . LYS A 1 146 ? 46.028 36.665 -10.763 1.00 10.01 ? 146 LYS A O 1 +ATOM 1101 C CB . LYS A 1 146 ? 47.449 38.817 -8.585 1.00 10.80 ? 146 LYS A CB 1 +ATOM 1102 C CG . LYS A 1 146 ? 46.396 39.774 -9.111 1.00 12.28 ? 146 LYS A CG 1 +ATOM 1103 C CD . LYS A 1 146 ? 46.848 41.222 -8.957 1.00 13.41 ? 146 LYS A CD 1 +ATOM 1104 C CE . LYS A 1 146 ? 47.424 41.501 -7.569 1.00 14.13 ? 146 LYS A CE 1 +ATOM 1105 N NZ . LYS A 1 146 ? 46.483 41.166 -6.462 1.00 14.90 ? 146 LYS A NZ 1 +ATOM 1106 N N . ASP A 1 147 ? 48.252 36.998 -10.843 1.00 10.21 ? 147 ASP A N 1 +ATOM 1107 C CA . ASP A 1 147 ? 48.345 36.702 -12.269 1.00 10.46 ? 147 ASP A CA 1 +ATOM 1108 C C . ASP A 1 147 ? 48.282 35.219 -12.602 1.00 10.08 ? 147 ASP A C 1 +ATOM 1109 O O . ASP A 1 147 ? 48.887 34.390 -11.921 1.00 9.87 ? 147 ASP A O 1 +ATOM 1110 C CB . ASP A 1 147 ? 49.629 37.299 -12.845 1.00 11.86 ? 147 ASP A CB 1 +ATOM 1111 C CG . ASP A 1 147 ? 49.767 38.778 -12.545 1.00 13.15 ? 147 ASP A CG 1 +ATOM 1112 O OD1 . ASP A 1 147 ? 48.786 39.525 -12.749 1.00 14.33 ? 147 ASP A OD1 1 +ATOM 1113 O OD2 . ASP A 1 147 ? 50.860 39.194 -12.106 1.00 14.65 ? 147 ASP A OD2 1 +ATOM 1114 N N . GLU A 1 148 ? 47.554 34.897 -13.666 1.00 9.68 ? 148 GLU A N 1 +ATOM 1115 C CA . GLU A 1 148 ? 47.395 33.518 -14.111 1.00 9.56 ? 148 GLU A CA 1 +ATOM 1116 C C . GLU A 1 148 ? 48.733 32.820 -14.327 1.00 9.01 ? 148 GLU A C 1 +ATOM 1117 O O . GLU A 1 148 ? 48.905 31.667 -13.935 1.00 8.83 ? 148 GLU A O 1 +ATOM 1118 C CB . GLU A 1 148 ? 46.585 33.469 -15.409 1.00 10.28 ? 148 GLU A CB 1 +ATOM 1119 C CG . GLU A 1 148 ? 46.252 32.055 -15.866 1.00 11.64 ? 148 GLU A CG 1 +ATOM 1120 C CD . GLU A 1 148 ? 45.444 32.024 -17.149 1.00 12.58 ? 148 GLU A CD 1 +ATOM 1121 O OE1 . GLU A 1 148 ? 44.593 32.919 -17.335 1.00 13.61 ? 148 GLU A OE1 1 +ATOM 1122 O OE2 . GLU A 1 148 ? 45.651 31.097 -17.962 1.00 13.64 ? 148 GLU A OE2 1 +ATOM 1123 N N . ALA A 1 149 ? 49.678 33.517 -14.950 1.00 8.45 ? 149 ALA A N 1 +ATOM 1124 C CA . ALA A 1 149 ? 50.992 32.938 -15.216 1.00 7.89 ? 149 ALA A CA 1 +ATOM 1125 C C . ALA A 1 149 ? 51.714 32.539 -13.931 1.00 7.53 ? 149 ALA A C 1 +ATOM 1126 O O . ALA A 1 149 ? 52.351 31.487 -13.874 1.00 7.32 ? 149 ALA A O 1 +ATOM 1127 C CB . ALA A 1 149 ? 51.845 33.922 -16.013 1.00 8.37 ? 149 ALA A CB 1 +ATOM 1128 N N . LEU A 1 150 ? 51.619 33.378 -12.905 1.00 7.18 ? 150 LEU A N 1 +ATOM 1129 C CA . LEU A 1 150 ? 52.268 33.090 -11.631 1.00 7.09 ? 150 LEU A CA 1 +ATOM 1130 C C . LEU A 1 150 ? 51.575 31.938 -10.910 1.00 6.83 ? 150 LEU A C 1 +ATOM 1131 O O . LEU A 1 150 ? 52.225 31.122 -10.258 1.00 6.78 ? 150 LEU A O 1 +ATOM 1132 C CB . LEU A 1 150 ? 52.281 34.341 -10.744 1.00 7.61 ? 150 LEU A CB 1 +ATOM 1133 C CG . LEU A 1 150 ? 53.345 35.400 -11.059 1.00 8.09 ? 150 LEU A CG 1 +ATOM 1134 C CD1 . LEU A 1 150 ? 53.058 36.670 -10.275 1.00 8.33 ? 150 LEU A CD1 1 +ATOM 1135 C CD2 . LEU A 1 150 ? 54.730 34.861 -10.711 1.00 8.75 ? 150 LEU A CD2 1 +ATOM 1136 N N . ILE A 1 151 ? 50.253 31.874 -11.019 1.00 6.57 ? 151 ILE A N 1 +ATOM 1137 C CA . ILE A 1 151 ? 49.507 30.798 -10.388 1.00 6.35 ? 151 ILE A CA 1 +ATOM 1138 C C . ILE A 1 151 ? 49.898 29.476 -11.046 1.00 6.45 ? 151 ILE A C 1 +ATOM 1139 O O . ILE A 1 151 ? 50.105 28.473 -10.365 1.00 5.93 ? 151 ILE A O 1 +ATOM 1140 C CB . ILE A 1 151 ? 47.985 31.038 -10.506 1.00 6.32 ? 151 ILE A CB 1 +ATOM 1141 C CG1 . ILE A 1 151 ? 47.588 32.226 -9.622 1.00 6.27 ? 151 ILE A CG1 1 +ATOM 1142 C CG2 . ILE A 1 151 ? 47.219 29.781 -10.102 1.00 6.17 ? 151 ILE A CG2 1 +ATOM 1143 C CD1 . ILE A 1 151 ? 46.148 32.668 -9.769 1.00 6.89 ? 151 ILE A CD1 1 +ATOM 1144 N N . ARG A 1 152 ? 50.017 29.470 -12.371 1.00 6.49 ? 152 ARG A N 1 +ATOM 1145 C CA . ARG A 1 152 ? 50.418 28.247 -13.054 1.00 6.90 ? 152 ARG A CA 1 +ATOM 1146 C C . ARG A 1 152 ? 51.843 27.873 -12.665 1.00 6.69 ? 152 ARG A C 1 +ATOM 1147 O O . ARG A 1 152 ? 52.128 26.708 -12.402 1.00 6.74 ? 152 ARG A O 1 +ATOM 1148 C CB . ARG A 1 152 ? 50.336 28.405 -14.574 1.00 7.50 ? 152 ARG A CB 1 +ATOM 1149 C CG . ARG A 1 152 ? 48.919 28.441 -15.125 1.00 8.53 ? 152 ARG A CG 1 +ATOM 1150 C CD . ARG A 1 152 ? 48.921 28.404 -16.647 1.00 9.59 ? 152 ARG A CD 1 +ATOM 1151 N NE . ARG A 1 152 ? 47.607 28.718 -17.207 1.00 10.56 ? 152 ARG A NE 1 +ATOM 1152 C CZ . ARG A 1 152 ? 46.554 27.907 -17.170 1.00 11.15 ? 152 ARG A CZ 1 +ATOM 1153 N NH1 . ARG A 1 152 ? 46.647 26.712 -16.603 1.00 11.50 ? 152 ARG A NH1 1 +ATOM 1154 N NH2 . ARG A 1 152 ? 45.399 28.301 -17.687 1.00 12.03 ? 152 ARG A NH2 1 +ATOM 1155 N N . LYS A 1 153 ? 52.736 28.860 -12.620 1.00 6.44 ? 153 LYS A N 1 +ATOM 1156 C CA . LYS A 1 153 ? 54.129 28.590 -12.275 1.00 6.44 ? 153 LYS A CA 1 +ATOM 1157 C C . LYS A 1 153 ? 54.289 28.012 -10.871 1.00 6.04 ? 153 LYS A C 1 +ATOM 1158 O O . LYS A 1 153 ? 55.019 27.040 -10.681 1.00 5.79 ? 153 LYS A O 1 +ATOM 1159 C CB . LYS A 1 153 ? 54.975 29.861 -12.421 1.00 6.84 ? 153 LYS A CB 1 +ATOM 1160 C CG . LYS A 1 153 ? 56.474 29.649 -12.208 1.00 7.78 ? 153 LYS A CG 1 +ATOM 1161 C CD . LYS A 1 153 ? 57.047 28.548 -13.104 1.00 8.85 ? 153 LYS A CD 1 +ATOM 1162 C CE . LYS A 1 153 ? 56.963 28.896 -14.585 1.00 9.46 ? 153 LYS A CE 1 +ATOM 1163 N NZ . LYS A 1 153 ? 57.525 27.804 -15.436 1.00 10.60 ? 153 LYS A NZ 1 +ATOM 1164 N N . ALA A 1 154 ? 53.608 28.598 -9.889 1.00 5.47 ? 154 ALA A N 1 +ATOM 1165 C CA . ALA A 1 154 ? 53.701 28.102 -8.520 1.00 5.35 ? 154 ALA A CA 1 +ATOM 1166 C C . ALA A 1 154 ? 53.147 26.682 -8.442 1.00 5.35 ? 154 ALA A C 1 +ATOM 1167 O O . ALA A 1 154 ? 53.677 25.834 -7.720 1.00 5.25 ? 154 ALA A O 1 +ATOM 1168 C CB . ALA A 1 154 ? 52.935 29.023 -7.571 1.00 5.08 ? 154 ALA A CB 1 +ATOM 1169 N N . SER A 1 155 ? 52.078 26.420 -9.188 1.00 5.25 ? 155 SER A N 1 +ATOM 1170 C CA . SER A 1 155 ? 51.474 25.091 -9.197 1.00 5.38 ? 155 SER A CA 1 +ATOM 1171 C C . SER A 1 155 ? 52.435 24.076 -9.810 1.00 5.48 ? 155 SER A C 1 +ATOM 1172 O O . SER A 1 155 ? 52.625 22.982 -9.280 1.00 5.25 ? 155 SER A O 1 +ATOM 1173 C CB . SER A 1 155 ? 50.172 25.101 -10.004 1.00 5.42 ? 155 SER A CB 1 +ATOM 1174 O OG . SER A 1 155 ? 49.201 25.952 -9.417 1.00 5.45 ? 155 SER A OG 1 +ATOM 1175 N N . GLU A 1 156 ? 53.039 24.452 -10.932 1.00 5.88 ? 156 GLU A N 1 +ATOM 1176 C CA . GLU A 1 156 ? 53.974 23.580 -11.631 1.00 6.32 ? 156 GLU A CA 1 +ATOM 1177 C C . GLU A 1 156 ? 55.191 23.259 -10.770 1.00 5.88 ? 156 GLU A C 1 +ATOM 1178 O O . GLU A 1 156 ? 55.597 22.104 -10.669 1.00 5.69 ? 156 GLU A O 1 +ATOM 1179 C CB . GLU A 1 156 ? 54.408 24.234 -12.943 1.00 7.52 ? 156 GLU A CB 1 +ATOM 1180 C CG . GLU A 1 156 ? 53.244 24.531 -13.885 1.00 10.19 ? 156 GLU A CG 1 +ATOM 1181 C CD . GLU A 1 156 ? 53.668 25.276 -15.133 1.00 11.27 ? 156 GLU A CD 1 +ATOM 1182 O OE1 . GLU A 1 156 ? 54.669 26.021 -15.070 1.00 12.40 ? 156 GLU A OE1 1 +ATOM 1183 O OE2 . GLU A 1 156 ? 52.986 25.130 -16.172 1.00 12.73 ? 156 GLU A OE2 1 +ATOM 1184 N N . ILE A 1 157 ? 55.773 24.281 -10.150 1.00 5.27 ? 157 ILE A N 1 +ATOM 1185 C CA . ILE A 1 157 ? 56.940 24.078 -9.295 1.00 5.18 ? 157 ILE A CA 1 +ATOM 1186 C C . ILE A 1 157 ? 56.596 23.163 -8.123 1.00 5.05 ? 157 ILE A C 1 +ATOM 1187 O O . ILE A 1 157 ? 57.350 22.243 -7.799 1.00 5.13 ? 157 ILE A O 1 +ATOM 1188 C CB . ILE A 1 157 ? 57.462 25.421 -8.745 1.00 4.98 ? 157 ILE A CB 1 +ATOM 1189 C CG1 . ILE A 1 157 ? 57.957 26.297 -9.897 1.00 5.14 ? 157 ILE A CG1 1 +ATOM 1190 C CG2 . ILE A 1 157 ? 58.592 25.179 -7.759 1.00 5.36 ? 157 ILE A CG2 1 +ATOM 1191 C CD1 . ILE A 1 157 ? 58.258 27.728 -9.486 1.00 5.27 ? 157 ILE A CD1 1 +ATOM 1192 N N . SER A 1 158 ? 55.451 23.417 -7.494 1.00 4.96 ? 158 SER A N 1 +ATOM 1193 C CA . SER A 1 158 ? 55.004 22.616 -6.359 1.00 4.85 ? 158 SER A CA 1 +ATOM 1194 C C . SER A 1 158 ? 54.833 21.157 -6.760 1.00 4.82 ? 158 SER A C 1 +ATOM 1195 O O . SER A 1 158 ? 55.246 20.249 -6.039 1.00 5.09 ? 158 SER A O 1 +ATOM 1196 C CB . SER A 1 158 ? 53.684 23.167 -5.812 1.00 5.09 ? 158 SER A CB 1 +ATOM 1197 O OG . SER A 1 158 ? 53.855 24.482 -5.308 1.00 4.96 ? 158 SER A OG 1 +ATOM 1198 N N . ILE A 1 159 ? 54.223 20.930 -7.918 1.00 4.91 ? 159 ILE A N 1 +ATOM 1199 C CA . ILE A 1 159 ? 54.012 19.575 -8.403 1.00 4.97 ? 159 ILE A CA 1 +ATOM 1200 C C . ILE A 1 159 ? 55.340 18.877 -8.689 1.00 5.15 ? 159 ILE A C 1 +ATOM 1201 O O . ILE A 1 159 ? 55.549 17.737 -8.277 1.00 4.88 ? 159 ILE A O 1 +ATOM 1202 C CB . ILE A 1 159 ? 53.117 19.591 -9.664 1.00 4.98 ? 159 ILE A CB 1 +ATOM 1203 C CG1 . ILE A 1 159 ? 51.687 19.962 -9.257 1.00 5.43 ? 159 ILE A CG1 1 +ATOM 1204 C CG2 . ILE A 1 159 ? 53.152 18.230 -10.369 1.00 5.12 ? 159 ILE A CG2 1 +ATOM 1205 C CD1 . ILE A 1 159 ? 50.763 20.270 -10.422 1.00 5.26 ? 159 ILE A CD1 1 +ATOM 1206 N N . LYS A 1 160 ? 56.246 19.565 -9.373 1.00 5.47 ? 160 LYS A N 1 +ATOM 1207 C CA . LYS A 1 160 ? 57.546 18.981 -9.691 1.00 5.63 ? 160 LYS A CA 1 +ATOM 1208 C C . LYS A 1 160 ? 58.341 18.649 -8.429 1.00 5.68 ? 160 LYS A C 1 +ATOM 1209 O O . LYS A 1 160 ? 59.088 17.667 -8.394 1.00 6.04 ? 160 LYS A O 1 +ATOM 1210 C CB . LYS A 1 160 ? 58.349 19.939 -10.578 1.00 6.20 ? 160 LYS A CB 1 +ATOM 1211 C CG . LYS A 1 160 ? 57.788 20.087 -11.986 1.00 7.28 ? 160 LYS A CG 1 +ATOM 1212 C CD . LYS A 1 160 ? 58.568 21.108 -12.798 1.00 8.31 ? 160 LYS A CD 1 +ATOM 1213 C CE . LYS A 1 160 ? 58.027 21.212 -14.217 1.00 9.11 ? 160 LYS A CE 1 +ATOM 1214 N NZ . LYS A 1 160 ? 58.781 22.201 -15.034 1.00 10.14 ? 160 LYS A NZ 1 +ATOM 1215 N N . ALA A 1 161 ? 58.164 19.466 -7.396 1.00 5.46 ? 161 ALA A N 1 +ATOM 1216 C CA . ALA A 1 161 ? 58.863 19.275 -6.131 1.00 5.50 ? 161 ALA A CA 1 +ATOM 1217 C C . ALA A 1 161 ? 58.277 18.152 -5.273 1.00 5.52 ? 161 ALA A C 1 +ATOM 1218 O O . ALA A 1 161 ? 58.851 17.792 -4.249 1.00 5.86 ? 161 ALA A O 1 +ATOM 1219 C CB . ALA A 1 161 ? 58.879 20.585 -5.347 1.00 5.76 ? 161 ALA A CB 1 +ATOM 1220 N N . GLY A 1 162 ? 57.131 17.613 -5.678 1.00 5.07 ? 162 GLY A N 1 +ATOM 1221 C CA . GLY A 1 162 ? 56.537 16.515 -4.933 1.00 4.96 ? 162 GLY A CA 1 +ATOM 1222 C C . GLY A 1 162 ? 55.237 16.743 -4.183 1.00 4.82 ? 162 GLY A C 1 +ATOM 1223 O O . GLY A 1 162 ? 54.850 15.902 -3.376 1.00 5.19 ? 162 GLY A O 1 +ATOM 1224 N N . ALA A 1 163 ? 54.549 17.851 -4.435 1.00 4.89 ? 163 ALA A N 1 +ATOM 1225 C CA . ALA A 1 163 ? 53.287 18.113 -3.745 1.00 4.69 ? 163 ALA A CA 1 +ATOM 1226 C C . ALA A 1 163 ? 52.268 16.998 -3.969 1.00 4.62 ? 163 ALA A C 1 +ATOM 1227 O O . ALA A 1 163 ? 52.105 16.516 -5.093 1.00 4.67 ? 163 ALA A O 1 +ATOM 1228 C CB . ALA A 1 163 ? 52.700 19.430 -4.222 1.00 4.68 ? 163 ALA A CB 1 +ATOM 1229 N N . ASP A 1 164 ? 51.575 16.595 -2.904 1.00 4.69 ? 164 ASP A N 1 +ATOM 1230 C CA . ASP A 1 164 ? 50.547 15.559 -3.020 1.00 4.64 ? 164 ASP A CA 1 +ATOM 1231 C C . ASP A 1 164 ? 49.204 16.228 -3.312 1.00 4.66 ? 164 ASP A C 1 +ATOM 1232 O O . ASP A 1 164 ? 48.271 15.588 -3.798 1.00 4.70 ? 164 ASP A O 1 +ATOM 1233 C CB . ASP A 1 164 ? 50.450 14.737 -1.733 1.00 4.88 ? 164 ASP A CB 1 +ATOM 1234 C CG . ASP A 1 164 ? 51.737 13.993 -1.419 1.00 5.18 ? 164 ASP A CG 1 +ATOM 1235 O OD1 . ASP A 1 164 ? 52.271 13.309 -2.318 1.00 5.96 ? 164 ASP A OD1 1 +ATOM 1236 O OD2 . ASP A 1 164 ? 52.217 14.078 -0.270 1.00 5.41 ? 164 ASP A OD2 1 +ATOM 1237 N N . PHE A 1 165 ? 49.130 17.521 -2.999 1.00 4.55 ? 165 PHE A N 1 +ATOM 1238 C CA . PHE A 1 165 ? 47.947 18.356 -3.221 1.00 4.82 ? 165 PHE A CA 1 +ATOM 1239 C C . PHE A 1 165 ? 48.438 19.778 -3.456 1.00 4.76 ? 165 PHE A C 1 +ATOM 1240 O O . PHE A 1 165 ? 49.468 20.177 -2.913 1.00 4.64 ? 165 PHE A O 1 +ATOM 1241 C CB . PHE A 1 165 ? 47.077 18.475 -1.960 1.00 5.48 ? 165 PHE A CB 1 +ATOM 1242 C CG . PHE A 1 165 ? 46.007 17.438 -1.809 1.00 6.11 ? 165 PHE A CG 1 +ATOM 1243 C CD1 . PHE A 1 165 ? 46.289 16.202 -1.243 1.00 6.56 ? 165 PHE A CD1 1 +ATOM 1244 C CD2 . PHE A 1 165 ? 44.689 17.739 -2.140 1.00 6.28 ? 165 PHE A CD2 1 +ATOM 1245 C CE1 . PHE A 1 165 ? 45.273 15.284 -1.000 1.00 7.21 ? 165 PHE A CE1 1 +ATOM 1246 C CE2 . PHE A 1 165 ? 43.668 16.830 -1.901 1.00 6.96 ? 165 PHE A CE2 1 +ATOM 1247 C CZ . PHE A 1 165 ? 43.960 15.600 -1.328 1.00 7.16 ? 165 PHE A CZ 1 +ATOM 1248 N N . ILE A 1 166 ? 47.709 20.539 -4.261 1.00 4.82 ? 166 ILE A N 1 +ATOM 1249 C CA . ILE A 1 166 ? 48.027 21.954 -4.401 1.00 4.60 ? 166 ILE A CA 1 +ATOM 1250 C C . ILE A 1 166 ? 46.758 22.633 -3.886 1.00 4.66 ? 166 ILE A C 1 +ATOM 1251 O O . ILE A 1 166 ? 45.638 22.259 -4.246 1.00 4.87 ? 166 ILE A O 1 +ATOM 1252 C CB . ILE A 1 166 ? 48.410 22.398 -5.849 1.00 5.00 ? 166 ILE A CB 1 +ATOM 1253 C CG1 . ILE A 1 166 ? 47.383 21.939 -6.882 1.00 5.07 ? 166 ILE A CG1 1 +ATOM 1254 C CG2 . ILE A 1 166 ? 49.806 21.875 -6.172 1.00 5.05 ? 166 ILE A CG2 1 +ATOM 1255 C CD1 . ILE A 1 166 ? 47.686 22.473 -8.284 1.00 5.57 ? 166 ILE A CD1 1 +ATOM 1256 N N . LYS A 1 167 ? 46.960 23.608 -3.008 1.00 4.75 ? 167 LYS A N 1 +ATOM 1257 C CA . LYS A 1 167 ? 45.885 24.323 -2.333 1.00 4.74 ? 167 LYS A CA 1 +ATOM 1258 C C . LYS A 1 167 ? 45.907 25.806 -2.695 1.00 4.67 ? 167 LYS A C 1 +ATOM 1259 O O . LYS A 1 167 ? 46.968 26.415 -2.777 1.00 4.72 ? 167 LYS A O 1 +ATOM 1260 C CB . LYS A 1 167 ? 46.071 24.101 -0.826 1.00 4.83 ? 167 LYS A CB 1 +ATOM 1261 C CG . LYS A 1 167 ? 45.136 24.826 0.116 1.00 5.23 ? 167 LYS A CG 1 +ATOM 1262 C CD . LYS A 1 167 ? 45.395 24.339 1.540 1.00 5.55 ? 167 LYS A CD 1 +ATOM 1263 C CE . LYS A 1 167 ? 44.720 25.233 2.563 1.00 5.94 ? 167 LYS A CE 1 +ATOM 1264 N NZ . LYS A 1 167 ? 45.062 24.861 3.969 1.00 6.49 ? 167 LYS A NZ 1 +ATOM 1265 N N . THR A 1 168 ? 44.733 26.391 -2.899 1.00 4.85 ? 168 THR A N 1 +ATOM 1266 C CA . THR A 1 168 ? 44.670 27.789 -3.307 1.00 4.93 ? 168 THR A CA 1 +ATOM 1267 C C . THR A 1 168 ? 45.141 28.850 -2.333 1.00 5.05 ? 168 THR A C 1 +ATOM 1268 O O . THR A 1 168 ? 45.942 29.712 -2.701 1.00 4.90 ? 168 THR A O 1 +ATOM 1269 C CB . THR A 1 168 ? 43.232 28.217 -3.714 1.00 4.95 ? 168 THR A CB 1 +ATOM 1270 O OG1 . THR A 1 168 ? 42.380 28.218 -2.560 1.00 4.71 ? 168 THR A OG1 1 +ATOM 1271 C CG2 . THR A 1 168 ? 42.660 27.286 -4.764 1.00 5.13 ? 168 THR A CG2 1 +ATOM 1272 N N . SER A 1 169 ? 44.679 28.776 -1.086 1.00 5.32 ? 169 SER A N 1 +ATOM 1273 C CA . SER A 1 169 ? 44.970 29.855 -0.154 1.00 5.32 ? 169 SER A CA 1 +ATOM 1274 C C . SER A 1 169 ? 45.081 29.508 1.324 1.00 5.45 ? 169 SER A C 1 +ATOM 1275 O O . SER A 1 169 ? 44.762 28.399 1.746 1.00 5.27 ? 169 SER A O 1 +ATOM 1276 C CB . SER A 1 169 ? 43.870 30.908 -0.318 1.00 5.60 ? 169 SER A CB 1 +ATOM 1277 O OG . SER A 1 169 ? 43.319 30.880 -1.632 1.00 5.36 ? 169 SER A OG 1 +ATOM 1278 N N . THR A 1 170 ? 45.516 30.497 2.105 1.00 5.46 ? 170 THR A N 1 +ATOM 1279 C CA . THR A 1 170 ? 45.657 30.357 3.555 1.00 5.57 ? 170 THR A CA 1 +ATOM 1280 C C . THR A 1 170 ? 44.385 30.781 4.276 1.00 5.95 ? 170 THR A C 1 +ATOM 1281 O O . THR A 1 170 ? 44.149 30.378 5.417 1.00 6.24 ? 170 THR A O 1 +ATOM 1282 C CB . THR A 1 170 ? 46.765 31.263 4.128 1.00 5.20 ? 170 THR A CB 1 +ATOM 1283 O OG1 . THR A 1 170 ? 46.452 32.632 3.835 1.00 5.28 ? 170 THR A OG1 1 +ATOM 1284 C CG2 . THR A 1 170 ? 48.124 30.907 3.556 1.00 5.34 ? 170 THR A CG2 1 +ATOM 1285 N N . GLY A 1 171 ? 43.583 31.609 3.611 1.00 6.35 ? 171 GLY A N 1 +ATOM 1286 C CA . GLY A 1 171 ? 42.369 32.118 4.218 1.00 6.83 ? 171 GLY A CA 1 +ATOM 1287 C C . GLY A 1 171 ? 42.713 33.313 5.092 1.00 7.24 ? 171 GLY A C 1 +ATOM 1288 O O . GLY A 1 171 ? 41.840 33.885 5.747 1.00 7.49 ? 171 GLY A O 1 +ATOM 1289 N N . LYS A 1 172 ? 43.988 33.696 5.096 1.00 7.35 ? 172 LYS A N 1 +ATOM 1290 C CA . LYS A 1 172 ? 44.459 34.813 5.911 1.00 7.56 ? 172 LYS A CA 1 +ATOM 1291 C C . LYS A 1 172 ? 44.701 36.099 5.136 1.00 7.74 ? 172 LYS A C 1 +ATOM 1292 O O . LYS A 1 172 ? 45.152 37.097 5.699 1.00 7.87 ? 172 LYS A O 1 +ATOM 1293 C CB . LYS A 1 172 ? 45.723 34.408 6.668 1.00 8.12 ? 172 LYS A CB 1 +ATOM 1294 C CG . LYS A 1 172 ? 45.503 33.230 7.605 1.00 8.60 ? 172 LYS A CG 1 +ATOM 1295 C CD . LYS A 1 172 ? 44.408 33.527 8.615 1.00 9.89 ? 172 LYS A CD 1 +ATOM 1296 C CE . LYS A 1 172 ? 44.207 32.355 9.561 1.00 10.56 ? 172 LYS A CE 1 +ATOM 1297 N NZ . LYS A 1 172 ? 43.108 32.629 10.522 1.00 11.76 ? 172 LYS A NZ 1 +ATOM 1298 N N . VAL A 1 173 ? 44.421 36.071 3.838 1.00 7.59 ? 173 VAL A N 1 +ATOM 1299 C CA . VAL A 1 173 ? 44.552 37.262 3.014 1.00 7.94 ? 173 VAL A CA 1 +ATOM 1300 C C . VAL A 1 173 ? 43.150 37.572 2.497 1.00 8.12 ? 173 VAL A C 1 +ATOM 1301 O O . VAL A 1 173 ? 42.237 36.758 2.642 1.00 8.27 ? 173 VAL A O 1 +ATOM 1302 C CB . VAL A 1 173 ? 45.543 37.057 1.843 1.00 7.87 ? 173 VAL A CB 1 +ATOM 1303 C CG1 . VAL A 1 173 ? 46.958 36.923 2.392 1.00 7.99 ? 173 VAL A CG1 1 +ATOM 1304 C CG2 . VAL A 1 173 ? 45.164 35.829 1.032 1.00 7.95 ? 173 VAL A CG2 1 +ATOM 1305 N N . ALA A 1 174 ? 42.977 38.748 1.907 1.00 8.55 ? 174 ALA A N 1 +ATOM 1306 C CA . ALA A 1 174 ? 41.673 39.171 1.411 1.00 8.61 ? 174 ALA A CA 1 +ATOM 1307 C C . ALA A 1 174 ? 41.030 38.244 0.386 1.00 8.50 ? 174 ALA A C 1 +ATOM 1308 O O . ALA A 1 174 ? 39.883 37.825 0.551 1.00 8.84 ? 174 ALA A O 1 +ATOM 1309 C CB . ALA A 1 174 ? 41.770 40.587 0.842 1.00 9.06 ? 174 ALA A CB 1 +ATOM 1310 N N . VAL A 1 175 ? 41.762 37.931 -0.678 1.00 8.15 ? 175 VAL A N 1 +ATOM 1311 C CA . VAL A 1 175 ? 41.231 37.070 -1.723 1.00 7.77 ? 175 VAL A CA 1 +ATOM 1312 C C . VAL A 1 175 ? 41.789 35.666 -1.593 1.00 7.29 ? 175 VAL A C 1 +ATOM 1313 O O . VAL A 1 175 ? 43.004 35.464 -1.560 1.00 7.01 ? 175 VAL A O 1 +ATOM 1314 C CB . VAL A 1 175 ? 41.565 37.621 -3.126 1.00 8.04 ? 175 VAL A CB 1 +ATOM 1315 C CG1 . VAL A 1 175 ? 41.016 36.692 -4.200 1.00 8.31 ? 175 VAL A CG1 1 +ATOM 1316 C CG2 . VAL A 1 175 ? 40.969 39.012 -3.289 1.00 8.10 ? 175 VAL A CG2 1 +ATOM 1317 N N . ASN A 1 176 ? 40.886 34.700 -1.514 1.00 7.08 ? 176 ASN A N 1 +ATOM 1318 C CA . ASN A 1 176 ? 41.273 33.311 -1.386 1.00 6.84 ? 176 ASN A CA 1 +ATOM 1319 C C . ASN A 1 176 ? 40.771 32.502 -2.580 1.00 6.82 ? 176 ASN A C 1 +ATOM 1320 O O . ASN A 1 176 ? 40.993 32.899 -3.720 1.00 6.77 ? 176 ASN A O 1 +ATOM 1321 C CB . ASN A 1 176 ? 40.760 32.781 -0.046 1.00 6.97 ? 176 ASN A CB 1 +ATOM 1322 C CG . ASN A 1 176 ? 41.400 33.504 1.128 1.00 7.05 ? 176 ASN A CG 1 +ATOM 1323 O OD1 . ASN A 1 176 ? 42.574 33.290 1.436 1.00 6.48 ? 176 ASN A OD1 1 +ATOM 1324 N ND2 . ASN A 1 176 ? 40.642 34.391 1.767 1.00 7.38 ? 176 ASN A ND2 1 +ATOM 1325 N N . ALA A 1 177 ? 40.098 31.385 -2.344 1.00 6.86 ? 177 ALA A N 1 +ATOM 1326 C CA . ALA A 1 177 ? 39.628 30.582 -3.468 1.00 6.80 ? 177 ALA A CA 1 +ATOM 1327 C C . ALA A 1 177 ? 38.625 31.305 -4.363 1.00 6.89 ? 177 ALA A C 1 +ATOM 1328 O O . ALA A 1 177 ? 37.766 32.043 -3.883 1.00 6.85 ? 177 ALA A O 1 +ATOM 1329 C CB . ALA A 1 177 ? 39.003 29.287 -2.963 1.00 6.85 ? 177 ALA A CB 1 +ATOM 1330 N N . THR A 1 178 ? 38.761 31.101 -5.669 1.00 6.87 ? 178 THR A N 1 +ATOM 1331 C CA . THR A 1 178 ? 37.821 31.649 -6.645 1.00 7.04 ? 178 THR A CA 1 +ATOM 1332 C C . THR A 1 178 ? 37.684 30.567 -7.704 1.00 7.12 ? 178 THR A C 1 +ATOM 1333 O O . THR A 1 178 ? 38.591 29.752 -7.889 1.00 6.74 ? 178 THR A O 1 +ATOM 1334 C CB . THR A 1 178 ? 38.315 32.937 -7.360 1.00 7.24 ? 178 THR A CB 1 +ATOM 1335 O OG1 . THR A 1 178 ? 39.399 32.617 -8.241 1.00 7.86 ? 178 THR A OG1 1 +ATOM 1336 C CG2 . THR A 1 178 ? 38.741 33.988 -6.358 1.00 7.58 ? 178 THR A CG2 1 +ATOM 1337 N N . PRO A 1 179 ? 36.539 30.524 -8.399 1.00 7.25 ? 179 PRO A N 1 +ATOM 1338 C CA . PRO A 1 179 ? 36.368 29.503 -9.434 1.00 7.47 ? 179 PRO A CA 1 +ATOM 1339 C C . PRO A 1 179 ? 37.443 29.608 -10.516 1.00 7.61 ? 179 PRO A C 1 +ATOM 1340 O O . PRO A 1 179 ? 37.875 28.595 -11.060 1.00 7.48 ? 179 PRO A O 1 +ATOM 1341 C CB . PRO A 1 179 ? 34.965 29.788 -9.963 1.00 7.53 ? 179 PRO A CB 1 +ATOM 1342 C CG . PRO A 1 179 ? 34.252 30.248 -8.726 1.00 7.63 ? 179 PRO A CG 1 +ATOM 1343 C CD . PRO A 1 179 ? 35.260 31.199 -8.113 1.00 7.41 ? 179 PRO A CD 1 +ATOM 1344 N N . GLU A 1 180 ? 37.872 30.830 -10.827 1.00 7.87 ? 180 GLU A N 1 +ATOM 1345 C CA . GLU A 1 180 ? 38.905 31.037 -11.841 1.00 8.23 ? 180 GLU A CA 1 +ATOM 1346 C C . GLU A 1 180 ? 40.246 30.458 -11.391 1.00 7.99 ? 180 GLU A C 1 +ATOM 1347 O O . GLU A 1 180 ? 40.923 29.773 -12.155 1.00 7.59 ? 180 GLU A O 1 +ATOM 1348 C CB . GLU A 1 180 ? 39.064 32.531 -12.149 1.00 9.39 ? 180 GLU A CB 1 +ATOM 1349 C CG . GLU A 1 180 ? 40.256 32.865 -13.050 1.00 11.43 ? 180 GLU A CG 1 +ATOM 1350 C CD . GLU A 1 180 ? 40.117 32.333 -14.467 1.00 12.71 ? 180 GLU A CD 1 +ATOM 1351 O OE1 . GLU A 1 180 ? 39.201 31.520 -14.723 1.00 13.78 ? 180 GLU A OE1 1 +ATOM 1352 O OE2 . GLU A 1 180 ? 40.935 32.725 -15.330 1.00 13.95 ? 180 GLU A OE2 1 +ATOM 1353 N N . SER A 1 181 ? 40.632 30.729 -10.148 1.00 7.74 ? 181 SER A N 1 +ATOM 1354 C CA . SER A 1 181 ? 41.893 30.208 -9.630 1.00 7.92 ? 181 SER A CA 1 +ATOM 1355 C C . SER A 1 181 ? 41.867 28.686 -9.566 1.00 7.44 ? 181 SER A C 1 +ATOM 1356 O O . SER A 1 181 ? 42.861 28.029 -9.875 1.00 7.20 ? 181 SER A O 1 +ATOM 1357 C CB . SER A 1 181 ? 42.176 30.775 -8.239 1.00 8.64 ? 181 SER A CB 1 +ATOM 1358 O OG . SER A 1 181 ? 42.492 32.149 -8.315 1.00 10.40 ? 181 SER A OG 1 +ATOM 1359 N N . ALA A 1 182 ? 40.729 28.126 -9.166 1.00 7.19 ? 182 ALA A N 1 +ATOM 1360 C CA . ALA A 1 182 ? 40.583 26.680 -9.073 1.00 7.18 ? 182 ALA A CA 1 +ATOM 1361 C C . ALA A 1 182 ? 40.733 26.044 -10.451 1.00 7.19 ? 182 ALA A C 1 +ATOM 1362 O O . ALA A 1 182 ? 41.373 25.005 -10.597 1.00 7.47 ? 182 ALA A O 1 +ATOM 1363 C CB . ALA A 1 182 ? 39.223 26.323 -8.474 1.00 7.26 ? 182 ALA A CB 1 +ATOM 1364 N N . ARG A 1 183 ? 40.146 26.672 -11.464 1.00 7.24 ? 183 ARG A N 1 +ATOM 1365 C CA . ARG A 1 183 ? 40.232 26.146 -12.819 1.00 7.15 ? 183 ARG A CA 1 +ATOM 1366 C C . ARG A 1 183 ? 41.671 26.192 -13.327 1.00 6.84 ? 183 ARG A C 1 +ATOM 1367 O O . ARG A 1 183 ? 42.143 25.236 -13.936 1.00 6.70 ? 183 ARG A O 1 +ATOM 1368 C CB . ARG A 1 183 ? 39.316 26.934 -13.759 1.00 7.77 ? 183 ARG A CB 1 +ATOM 1369 C CG . ARG A 1 183 ? 39.317 26.421 -15.194 1.00 8.93 ? 183 ARG A CG 1 +ATOM 1370 C CD . ARG A 1 183 ? 38.223 27.095 -16.012 1.00 9.94 ? 183 ARG A CD 1 +ATOM 1371 N NE . ARG A 1 183 ? 36.885 26.639 -15.634 1.00 10.95 ? 183 ARG A NE 1 +ATOM 1372 C CZ . ARG A 1 183 ? 36.333 25.501 -16.049 1.00 11.25 ? 183 ARG A CZ 1 +ATOM 1373 N NH1 . ARG A 1 183 ? 36.999 24.692 -16.863 1.00 11.76 ? 183 ARG A NH1 1 +ATOM 1374 N NH2 . ARG A 1 183 ? 35.110 25.170 -15.650 1.00 11.93 ? 183 ARG A NH2 1 +ATOM 1375 N N . ILE A 1 184 ? 42.370 27.296 -13.076 1.00 6.23 ? 184 ILE A N 1 +ATOM 1376 C CA . ILE A 1 184 ? 43.757 27.418 -13.520 1.00 6.07 ? 184 ILE A CA 1 +ATOM 1377 C C . ILE A 1 184 ? 44.622 26.331 -12.885 1.00 5.96 ? 184 ILE A C 1 +ATOM 1378 O O . ILE A 1 184 ? 45.390 25.655 -13.565 1.00 5.89 ? 184 ILE A O 1 +ATOM 1379 C CB . ILE A 1 184 ? 44.344 28.801 -13.160 1.00 6.17 ? 184 ILE A CB 1 +ATOM 1380 C CG1 . ILE A 1 184 ? 43.609 29.899 -13.934 1.00 6.61 ? 184 ILE A CG1 1 +ATOM 1381 C CG2 . ILE A 1 184 ? 45.829 28.837 -13.486 1.00 6.32 ? 184 ILE A CG2 1 +ATOM 1382 C CD1 . ILE A 1 184 ? 43.924 31.305 -13.453 1.00 7.12 ? 184 ILE A CD1 1 +ATOM 1383 N N . MET A 1 185 ? 44.492 26.164 -11.575 1.00 5.70 ? 185 MET A N 1 +ATOM 1384 C CA . MET A 1 185 ? 45.273 25.160 -10.872 1.00 5.63 ? 185 MET A CA 1 +ATOM 1385 C C . MET A 1 185 ? 44.938 23.738 -11.311 1.00 5.72 ? 185 MET A C 1 +ATOM 1386 O O . MET A 1 185 ? 45.835 22.910 -11.458 1.00 5.49 ? 185 MET A O 1 +ATOM 1387 C CB . MET A 1 185 ? 45.088 25.319 -9.360 1.00 5.48 ? 185 MET A CB 1 +ATOM 1388 C CG . MET A 1 185 ? 45.737 26.589 -8.822 1.00 5.38 ? 185 MET A CG 1 +ATOM 1389 S SD . MET A 1 185 ? 45.521 26.816 -7.050 1.00 5.25 ? 185 MET A SD 1 +ATOM 1390 C CE . MET A 1 185 ? 46.641 25.550 -6.417 1.00 5.67 ? 185 MET A CE 1 +ATOM 1391 N N . MET A 1 186 ? 43.659 23.445 -11.530 1.00 5.98 ? 186 MET A N 1 +ATOM 1392 C CA . MET A 1 186 ? 43.293 22.104 -11.964 1.00 6.31 ? 186 MET A CA 1 +ATOM 1393 C C . MET A 1 186 ? 43.738 21.878 -13.406 1.00 6.34 ? 186 MET A C 1 +ATOM 1394 O O . MET A 1 186 ? 44.039 20.748 -13.795 1.00 6.11 ? 186 MET A O 1 +ATOM 1395 C CB . MET A 1 186 ? 41.785 21.860 -11.809 1.00 6.69 ? 186 MET A CB 1 +ATOM 1396 C CG . MET A 1 186 ? 41.332 21.795 -10.347 1.00 7.86 ? 186 MET A CG 1 +ATOM 1397 S SD . MET A 1 186 ? 39.685 21.073 -10.111 1.00 8.94 ? 186 MET A SD 1 +ATOM 1398 C CE . MET A 1 186 ? 40.116 19.408 -9.801 1.00 9.84 ? 186 MET A CE 1 +ATOM 1399 N N . GLU A 1 187 ? 43.794 22.946 -14.198 1.00 6.56 ? 187 GLU A N 1 +ATOM 1400 C CA . GLU A 1 187 ? 44.250 22.818 -15.579 1.00 7.16 ? 187 GLU A CA 1 +ATOM 1401 C C . GLU A 1 187 ? 45.729 22.441 -15.574 1.00 6.76 ? 187 GLU A C 1 +ATOM 1402 O O . GLU A 1 187 ? 46.190 21.723 -16.456 1.00 6.87 ? 187 GLU A O 1 +ATOM 1403 C CB . GLU A 1 187 ? 44.058 24.123 -16.358 1.00 8.05 ? 187 GLU A CB 1 +ATOM 1404 C CG . GLU A 1 187 ? 42.614 24.478 -16.674 1.00 9.94 ? 187 GLU A CG 1 +ATOM 1405 C CD . GLU A 1 187 ? 42.495 25.802 -17.404 1.00 11.14 ? 187 GLU A CD 1 +ATOM 1406 O OE1 . GLU A 1 187 ? 43.310 26.707 -17.129 1.00 12.74 ? 187 GLU A OE1 1 +ATOM 1407 O OE2 . GLU A 1 187 ? 41.579 25.950 -18.237 1.00 12.04 ? 187 GLU A OE2 1 +ATOM 1408 N N . VAL A 1 188 ? 46.479 22.925 -14.585 1.00 6.49 ? 188 VAL A N 1 +ATOM 1409 C CA . VAL A 1 188 ? 47.896 22.582 -14.499 1.00 6.43 ? 188 VAL A CA 1 +ATOM 1410 C C . VAL A 1 188 ? 48.014 21.088 -14.193 1.00 6.32 ? 188 VAL A C 1 +ATOM 1411 O O . VAL A 1 188 ? 48.818 20.383 -14.803 1.00 6.21 ? 188 VAL A O 1 +ATOM 1412 C CB . VAL A 1 188 ? 48.619 23.407 -13.403 1.00 6.33 ? 188 VAL A CB 1 +ATOM 1413 C CG1 . VAL A 1 188 ? 50.044 22.892 -13.211 1.00 6.63 ? 188 VAL A CG1 1 +ATOM 1414 C CG2 . VAL A 1 188 ? 48.655 24.877 -13.806 1.00 6.77 ? 188 VAL A CG2 1 +ATOM 1415 N N . ILE A 1 189 ? 47.206 20.604 -13.255 1.00 6.14 ? 189 ILE A N 1 +ATOM 1416 C CA . ILE A 1 189 ? 47.216 19.185 -12.911 1.00 6.03 ? 189 ILE A CA 1 +ATOM 1417 C C . ILE A 1 189 ? 46.912 18.379 -14.178 1.00 6.23 ? 189 ILE A C 1 +ATOM 1418 O O . ILE A 1 189 ? 47.580 17.387 -14.480 1.00 5.96 ? 189 ILE A O 1 +ATOM 1419 C CB . ILE A 1 189 ? 46.156 18.867 -11.832 1.00 5.91 ? 189 ILE A CB 1 +ATOM 1420 C CG1 . ILE A 1 189 ? 46.555 19.525 -10.507 1.00 5.82 ? 189 ILE A CG1 1 +ATOM 1421 C CG2 . ILE A 1 189 ? 45.990 17.352 -11.674 1.00 5.87 ? 189 ILE A CG2 1 +ATOM 1422 C CD1 . ILE A 1 189 ? 45.514 19.377 -9.421 1.00 5.65 ? 189 ILE A CD1 1 +ATOM 1423 N N . ARG A 1 190 ? 45.903 18.816 -14.926 1.00 6.51 ? 190 ARG A N 1 +ATOM 1424 C CA . ARG A 1 190 ? 45.529 18.131 -16.154 1.00 7.31 ? 190 ARG A CA 1 +ATOM 1425 C C . ARG A 1 190 ? 46.629 18.192 -17.205 1.00 7.21 ? 190 ARG A C 1 +ATOM 1426 O O . ARG A 1 190 ? 47.013 17.169 -17.771 1.00 7.32 ? 190 ARG A O 1 +ATOM 1427 C CB . ARG A 1 190 ? 44.264 18.744 -16.742 1.00 7.90 ? 190 ARG A CB 1 +ATOM 1428 C CG . ARG A 1 190 ? 43.808 18.041 -18.013 1.00 9.19 ? 190 ARG A CG 1 +ATOM 1429 C CD . ARG A 1 190 ? 42.871 18.909 -18.813 1.00 10.61 ? 190 ARG A CD 1 +ATOM 1430 N NE . ARG A 1 190 ? 43.497 20.175 -19.177 1.00 11.63 ? 190 ARG A NE 1 +ATOM 1431 C CZ . ARG A 1 190 ? 42.834 21.199 -19.700 1.00 12.07 ? 190 ARG A CZ 1 +ATOM 1432 N NH1 . ARG A 1 190 ? 41.531 21.092 -19.915 1.00 12.92 ? 190 ARG A NH1 1 +ATOM 1433 N NH2 . ARG A 1 190 ? 43.465 22.327 -19.996 1.00 12.28 ? 190 ARG A NH2 1 +ATOM 1434 N N . ASP A 1 191 ? 47.130 19.394 -17.466 1.00 7.26 ? 191 ASP A N 1 +ATOM 1435 C CA . ASP A 1 191 ? 48.165 19.580 -18.476 1.00 7.45 ? 191 ASP A CA 1 +ATOM 1436 C C . ASP A 1 191 ? 49.451 18.821 -18.175 1.00 7.45 ? 191 ASP A C 1 +ATOM 1437 O O . ASP A 1 191 ? 50.108 18.316 -19.088 1.00 7.78 ? 191 ASP A O 1 +ATOM 1438 C CB . ASP A 1 191 ? 48.468 21.071 -18.659 1.00 7.78 ? 191 ASP A CB 1 +ATOM 1439 C CG . ASP A 1 191 ? 47.286 21.845 -19.224 1.00 8.54 ? 191 ASP A CG 1 +ATOM 1440 O OD1 . ASP A 1 191 ? 46.402 21.222 -19.847 1.00 8.86 ? 191 ASP A OD1 1 +ATOM 1441 O OD2 . ASP A 1 191 ? 47.250 23.080 -19.055 1.00 9.44 ? 191 ASP A OD2 1 +ATOM 1442 N N . MET A 1 192 ? 49.814 18.740 -16.901 1.00 7.09 ? 192 MET A N 1 +ATOM 1443 C CA . MET A 1 192 ? 51.023 18.022 -16.516 1.00 6.82 ? 192 MET A CA 1 +ATOM 1444 C C . MET A 1 192 ? 50.760 16.519 -16.465 1.00 6.60 ? 192 MET A C 1 +ATOM 1445 O O . MET A 1 192 ? 51.698 15.722 -16.438 1.00 6.80 ? 192 MET A O 1 +ATOM 1446 C CB . MET A 1 192 ? 51.534 18.525 -15.160 1.00 6.98 ? 192 MET A CB 1 +ATOM 1447 C CG . MET A 1 192 ? 52.061 19.953 -15.209 1.00 7.17 ? 192 MET A CG 1 +ATOM 1448 S SD . MET A 1 192 ? 52.786 20.510 -13.652 1.00 7.75 ? 192 MET A SD 1 +ATOM 1449 C CE . MET A 1 192 ? 54.385 19.713 -13.696 1.00 7.93 ? 192 MET A CE 1 +ATOM 1450 N N . GLY A 1 193 ? 49.482 16.144 -16.472 1.00 6.23 ? 193 GLY A N 1 +ATOM 1451 C CA . GLY A 1 193 ? 49.098 14.741 -16.435 1.00 6.20 ? 193 GLY A CA 1 +ATOM 1452 C C . GLY A 1 193 ? 49.321 14.059 -15.098 1.00 6.18 ? 193 GLY A C 1 +ATOM 1453 O O . GLY A 1 193 ? 49.527 12.847 -15.038 1.00 6.35 ? 193 GLY A O 1 +ATOM 1454 N N . VAL A 1 194 ? 49.247 14.828 -14.018 1.00 6.16 ? 194 VAL A N 1 +ATOM 1455 C CA . VAL A 1 194 ? 49.480 14.291 -12.681 1.00 6.26 ? 194 VAL A CA 1 +ATOM 1456 C C . VAL A 1 194 ? 48.225 14.117 -11.827 1.00 6.50 ? 194 VAL A C 1 +ATOM 1457 O O . VAL A 1 194 ? 48.320 14.039 -10.603 1.00 6.24 ? 194 VAL A O 1 +ATOM 1458 C CB . VAL A 1 194 ? 50.478 15.192 -11.904 1.00 6.01 ? 194 VAL A CB 1 +ATOM 1459 C CG1 . VAL A 1 194 ? 51.794 15.287 -12.670 1.00 5.95 ? 194 VAL A CG1 1 +ATOM 1460 C CG2 . VAL A 1 194 ? 49.878 16.583 -11.686 1.00 6.01 ? 194 VAL A CG2 1 +ATOM 1461 N N . GLU A 1 195 ? 47.055 14.033 -12.454 1.00 7.08 ? 195 GLU A N 1 +ATOM 1462 C CA . GLU A 1 195 ? 45.824 13.898 -11.679 1.00 7.82 ? 195 GLU A CA 1 +ATOM 1463 C C . GLU A 1 195 ? 45.770 12.670 -10.776 1.00 7.87 ? 195 GLU A C 1 +ATOM 1464 O O . GLU A 1 195 ? 45.052 12.668 -9.782 1.00 7.84 ? 195 GLU A O 1 +ATOM 1465 C CB . GLU A 1 195 ? 44.590 13.905 -12.590 1.00 8.59 ? 195 GLU A CB 1 +ATOM 1466 C CG . GLU A 1 195 ? 44.467 12.687 -13.475 1.00 10.09 ? 195 GLU A CG 1 +ATOM 1467 C CD . GLU A 1 195 ? 45.064 12.900 -14.850 1.00 10.94 ? 195 GLU A CD 1 +ATOM 1468 O OE1 . GLU A 1 195 ? 45.962 13.758 -14.997 1.00 11.32 ? 195 GLU A OE1 1 +ATOM 1469 O OE2 . GLU A 1 195 ? 44.634 12.199 -15.790 1.00 12.19 ? 195 GLU A OE2 1 +ATOM 1470 N N . LYS A 1 196 ? 46.521 11.625 -11.102 1.00 7.71 ? 196 LYS A N 1 +ATOM 1471 C CA . LYS A 1 196 ? 46.500 10.433 -10.263 1.00 8.02 ? 196 LYS A CA 1 +ATOM 1472 C C . LYS A 1 196 ? 47.285 10.608 -8.963 1.00 7.59 ? 196 LYS A C 1 +ATOM 1473 O O . LYS A 1 196 ? 46.961 9.987 -7.951 1.00 7.73 ? 196 LYS A O 1 +ATOM 1474 C CB . LYS A 1 196 ? 47.049 9.228 -11.032 1.00 8.99 ? 196 LYS A CB 1 +ATOM 1475 C CG . LYS A 1 196 ? 46.149 8.753 -12.163 1.00 10.31 ? 196 LYS A CG 1 +ATOM 1476 C CD . LYS A 1 196 ? 46.763 7.562 -12.880 1.00 11.56 ? 196 LYS A CD 1 +ATOM 1477 C CE . LYS A 1 196 ? 45.842 7.031 -13.964 1.00 12.48 ? 196 LYS A CE 1 +ATOM 1478 N NZ . LYS A 1 196 ? 44.567 6.525 -13.390 1.00 13.53 ? 196 LYS A NZ 1 +ATOM 1479 N N . THR A 1 197 ? 48.296 11.471 -8.980 1.00 7.06 ? 197 THR A N 1 +ATOM 1480 C CA . THR A 1 197 ? 49.140 11.674 -7.807 1.00 6.97 ? 197 THR A CA 1 +ATOM 1481 C C . THR A 1 197 ? 49.007 13.027 -7.115 1.00 6.48 ? 197 THR A C 1 +ATOM 1482 O O . THR A 1 197 ? 49.574 13.233 -6.040 1.00 6.70 ? 197 THR A O 1 +ATOM 1483 C CB . THR A 1 197 ? 50.624 11.478 -8.177 1.00 6.75 ? 197 THR A CB 1 +ATOM 1484 O OG1 . THR A 1 197 ? 50.952 12.322 -9.290 1.00 7.28 ? 197 THR A OG1 1 +ATOM 1485 C CG2 . THR A 1 197 ? 50.898 10.022 -8.544 1.00 7.16 ? 197 THR A CG2 1 +ATOM 1486 N N . VAL A 1 198 ? 48.262 13.947 -7.714 1.00 6.21 ? 198 VAL A N 1 +ATOM 1487 C CA . VAL A 1 198 ? 48.108 15.273 -7.124 1.00 6.06 ? 198 VAL A CA 1 +ATOM 1488 C C . VAL A 1 198 ? 46.645 15.685 -6.992 1.00 5.85 ? 198 VAL A C 1 +ATOM 1489 O O . VAL A 1 198 ? 45.900 15.696 -7.975 1.00 6.19 ? 198 VAL A O 1 +ATOM 1490 C CB . VAL A 1 198 ? 48.856 16.345 -7.964 1.00 5.94 ? 198 VAL A CB 1 +ATOM 1491 C CG1 . VAL A 1 198 ? 48.736 17.712 -7.300 1.00 6.16 ? 198 VAL A CG1 1 +ATOM 1492 C CG2 . VAL A 1 198 ? 50.324 15.958 -8.124 1.00 6.08 ? 198 VAL A CG2 1 +ATOM 1493 N N . GLY A 1 199 ? 46.240 16.021 -5.770 1.00 5.47 ? 199 GLY A N 1 +ATOM 1494 C CA . GLY A 1 199 ? 44.874 16.446 -5.533 1.00 5.29 ? 199 GLY A CA 1 +ATOM 1495 C C . GLY A 1 199 ? 44.746 17.957 -5.526 1.00 4.83 ? 199 GLY A C 1 +ATOM 1496 O O . GLY A 1 199 ? 45.747 18.677 -5.605 1.00 4.75 ? 199 GLY A O 1 +ATOM 1497 N N . PHE A 1 200 ? 43.511 18.442 -5.431 1.00 4.67 ? 200 PHE A N 1 +ATOM 1498 C CA . PHE A 1 200 ? 43.257 19.877 -5.400 1.00 4.54 ? 200 PHE A CA 1 +ATOM 1499 C C . PHE A 1 200 ? 42.429 20.257 -4.180 1.00 4.51 ? 200 PHE A C 1 +ATOM 1500 O O . PHE A 1 200 ? 41.516 19.530 -3.779 1.00 4.82 ? 200 PHE A O 1 +ATOM 1501 C CB . PHE A 1 200 ? 42.526 20.328 -6.667 1.00 4.37 ? 200 PHE A CB 1 +ATOM 1502 C CG . PHE A 1 200 ? 42.161 21.782 -6.658 1.00 4.24 ? 200 PHE A CG 1 +ATOM 1503 C CD1 . PHE A 1 200 ? 43.150 22.759 -6.626 1.00 4.34 ? 200 PHE A CD1 1 +ATOM 1504 C CD2 . PHE A 1 200 ? 40.828 22.175 -6.622 1.00 4.29 ? 200 PHE A CD2 1 +ATOM 1505 C CE1 . PHE A 1 200 ? 42.817 24.108 -6.553 1.00 4.69 ? 200 PHE A CE1 1 +ATOM 1506 C CE2 . PHE A 1 200 ? 40.484 23.517 -6.550 1.00 4.83 ? 200 PHE A CE2 1 +ATOM 1507 C CZ . PHE A 1 200 ? 41.480 24.487 -6.513 1.00 4.61 ? 200 PHE A CZ 1 +ATOM 1508 N N . LYS A 1 201 ? 42.749 21.406 -3.595 1.00 4.56 ? 201 LYS A N 1 +ATOM 1509 C CA . LYS A 1 201 ? 42.027 21.870 -2.429 1.00 4.55 ? 201 LYS A CA 1 +ATOM 1510 C C . LYS A 1 201 ? 41.726 23.364 -2.441 1.00 4.76 ? 201 LYS A C 1 +ATOM 1511 O O . LYS A 1 201 ? 42.607 24.187 -2.188 1.00 4.64 ? 201 LYS A O 1 +ATOM 1512 C CB . LYS A 1 201 ? 42.801 21.512 -1.147 1.00 4.59 ? 201 LYS A CB 1 +ATOM 1513 C CG . LYS A 1 201 ? 42.158 22.030 0.141 1.00 4.82 ? 201 LYS A CG 1 +ATOM 1514 C CD . LYS A 1 201 ? 42.927 21.595 1.383 1.00 4.78 ? 201 LYS A CD 1 +ATOM 1515 C CE . LYS A 1 201 ? 42.328 22.215 2.646 1.00 4.94 ? 201 LYS A CE 1 +ATOM 1516 N NZ . LYS A 1 201 ? 43.094 21.867 3.885 1.00 5.11 ? 201 LYS A NZ 1 +ATOM 1517 N N . PRO A 1 202 ? 40.487 23.740 -2.798 1.00 4.96 ? 202 PRO A N 1 +ATOM 1518 C CA . PRO A 1 202 ? 40.169 25.170 -2.787 1.00 5.09 ? 202 PRO A CA 1 +ATOM 1519 C C . PRO A 1 202 ? 39.990 25.504 -1.306 1.00 5.37 ? 202 PRO A C 1 +ATOM 1520 O O . PRO A 1 202 ? 39.377 24.732 -0.564 1.00 5.32 ? 202 PRO A O 1 +ATOM 1521 C CB . PRO A 1 202 ? 38.862 25.245 -3.573 1.00 5.25 ? 202 PRO A CB 1 +ATOM 1522 C CG . PRO A 1 202 ? 38.225 23.919 -3.301 1.00 5.22 ? 202 PRO A CG 1 +ATOM 1523 C CD . PRO A 1 202 ? 39.381 22.952 -3.369 1.00 5.17 ? 202 PRO A CD 1 +ATOM 1524 N N . ALA A 1 203 ? 40.535 26.630 -0.864 1.00 5.57 ? 203 ALA A N 1 +ATOM 1525 C CA . ALA A 1 203 ? 40.425 26.987 0.540 1.00 6.10 ? 203 ALA A CA 1 +ATOM 1526 C C . ALA A 1 203 ? 40.235 28.474 0.763 1.00 6.49 ? 203 ALA A C 1 +ATOM 1527 O O . ALA A 1 203 ? 40.734 29.299 -0.003 1.00 6.28 ? 203 ALA A O 1 +ATOM 1528 C CB . ALA A 1 203 ? 41.666 26.504 1.294 1.00 6.05 ? 203 ALA A CB 1 +ATOM 1529 N N . GLY A 1 204 ? 39.499 28.799 1.822 1.00 7.12 ? 204 GLY A N 1 +ATOM 1530 C CA . GLY A 1 204 ? 39.251 30.183 2.174 1.00 8.32 ? 204 GLY A CA 1 +ATOM 1531 C C . GLY A 1 204 ? 38.066 30.822 1.482 1.00 8.85 ? 204 GLY A C 1 +ATOM 1532 O O . GLY A 1 204 ? 37.999 30.866 0.254 1.00 8.98 ? 204 GLY A O 1 +ATOM 1533 N N . GLY A 1 205 ? 37.124 31.314 2.282 1.00 9.54 ? 205 GLY A N 1 +ATOM 1534 C CA . GLY A 1 205 ? 35.952 31.974 1.736 1.00 10.35 ? 205 GLY A CA 1 +ATOM 1535 C C . GLY A 1 205 ? 34.881 31.097 1.113 1.00 10.78 ? 205 GLY A C 1 +ATOM 1536 O O . GLY A 1 205 ? 33.879 31.619 0.631 1.00 11.23 ? 205 GLY A O 1 +ATOM 1537 N N . VAL A 1 206 ? 35.077 29.781 1.103 1.00 11.05 ? 206 VAL A N 1 +ATOM 1538 C CA . VAL A 1 206 ? 34.077 28.878 0.532 1.00 11.47 ? 206 VAL A CA 1 +ATOM 1539 C C . VAL A 1 206 ? 33.012 28.709 1.611 1.00 11.75 ? 206 VAL A C 1 +ATOM 1540 O O . VAL A 1 206 ? 33.163 27.903 2.532 1.00 11.93 ? 206 VAL A O 1 +ATOM 1541 C CB . VAL A 1 206 ? 34.700 27.509 0.173 1.00 11.32 ? 206 VAL A CB 1 +ATOM 1542 C CG1 . VAL A 1 206 ? 33.675 26.637 -0.539 1.00 11.60 ? 206 VAL A CG1 1 +ATOM 1543 C CG2 . VAL A 1 206 ? 35.931 27.717 -0.704 1.00 11.45 ? 206 VAL A CG2 1 +ATOM 1544 N N . ARG A 1 207 ? 31.926 29.466 1.484 1.00 12.11 ? 207 ARG A N 1 +ATOM 1545 C CA . ARG A 1 207 ? 30.876 29.467 2.495 1.00 12.39 ? 207 ARG A CA 1 +ATOM 1546 C C . ARG A 1 207 ? 29.547 28.778 2.206 1.00 11.89 ? 207 ARG A C 1 +ATOM 1547 O O . ARG A 1 207 ? 28.864 28.370 3.143 1.00 11.88 ? 207 ARG A O 1 +ATOM 1548 C CB . ARG A 1 207 ? 30.576 30.917 2.901 1.00 13.46 ? 207 ARG A CB 1 +ATOM 1549 C CG . ARG A 1 207 ? 31.809 31.768 3.185 1.00 14.82 ? 207 ARG A CG 1 +ATOM 1550 C CD . ARG A 1 207 ? 31.426 33.193 3.572 1.00 16.06 ? 207 ARG A CD 1 +ATOM 1551 N NE . ARG A 1 207 ? 32.593 34.061 3.736 1.00 17.22 ? 207 ARG A NE 1 +ATOM 1552 C CZ . ARG A 1 207 ? 33.389 34.456 2.744 1.00 17.71 ? 207 ARG A CZ 1 +ATOM 1553 N NH1 . ARG A 1 207 ? 33.155 34.066 1.496 1.00 17.85 ? 207 ARG A NH1 1 +ATOM 1554 N NH2 . ARG A 1 207 ? 34.424 35.247 3.001 1.00 18.22 ? 207 ARG A NH2 1 +ATOM 1555 N N . THR A 1 208 ? 29.168 28.641 0.940 1.00 11.47 ? 208 THR A N 1 +ATOM 1556 C CA . THR A 1 208 ? 27.869 28.046 0.633 1.00 11.20 ? 208 THR A CA 1 +ATOM 1557 C C . THR A 1 208 ? 27.860 26.746 -0.154 1.00 10.96 ? 208 THR A C 1 +ATOM 1558 O O . THR A 1 208 ? 28.816 26.409 -0.854 1.00 10.56 ? 208 THR A O 1 +ATOM 1559 C CB . THR A 1 208 ? 26.986 29.034 -0.145 1.00 11.24 ? 208 THR A CB 1 +ATOM 1560 O OG1 . THR A 1 208 ? 27.459 29.130 -1.493 1.00 11.40 ? 208 THR A OG1 1 +ATOM 1561 C CG2 . THR A 1 208 ? 27.027 30.412 0.501 1.00 11.34 ? 208 THR A CG2 1 +ATOM 1562 N N . ALA A 1 209 ? 26.746 26.028 -0.039 1.00 10.69 ? 209 ALA A N 1 +ATOM 1563 C CA . ALA A 1 209 ? 26.557 24.772 -0.745 1.00 10.66 ? 209 ALA A CA 1 +ATOM 1564 C C . ALA A 1 209 ? 26.647 25.050 -2.240 1.00 10.71 ? 209 ALA A C 1 +ATOM 1565 O O . ALA A 1 209 ? 27.169 24.241 -3.006 1.00 10.30 ? 209 ALA A O 1 +ATOM 1566 C CB . ALA A 1 209 ? 25.196 24.181 -0.401 1.00 10.70 ? 209 ALA A CB 1 +ATOM 1567 N N . GLU A 1 210 ? 26.128 26.202 -2.655 1.00 10.97 ? 210 GLU A N 1 +ATOM 1568 C CA . GLU A 1 210 ? 26.168 26.581 -4.059 1.00 11.38 ? 210 GLU A CA 1 +ATOM 1569 C C . GLU A 1 210 ? 27.616 26.718 -4.524 1.00 11.20 ? 210 GLU A C 1 +ATOM 1570 O O . GLU A 1 210 ? 27.965 26.284 -5.627 1.00 11.22 ? 210 GLU A O 1 +ATOM 1571 C CB . GLU A 1 210 ? 25.422 27.899 -4.281 1.00 12.09 ? 210 GLU A CB 1 +ATOM 1572 C CG . GLU A 1 210 ? 23.903 27.821 -4.149 1.00 13.40 ? 210 GLU A CG 1 +ATOM 1573 C CD . GLU A 1 210 ? 23.425 27.580 -2.728 1.00 13.90 ? 210 GLU A CD 1 +ATOM 1574 O OE1 . GLU A 1 210 ? 24.142 27.957 -1.778 1.00 14.43 ? 210 GLU A OE1 1 +ATOM 1575 O OE2 . GLU A 1 210 ? 22.313 27.033 -2.559 1.00 14.92 ? 210 GLU A OE2 1 +ATOM 1576 N N . ASP A 1 211 ? 28.458 27.320 -3.684 1.00 11.11 ? 211 ASP A N 1 +ATOM 1577 C CA . ASP A 1 211 ? 29.871 27.487 -4.020 1.00 11.00 ? 211 ASP A CA 1 +ATOM 1578 C C . ASP A 1 211 ? 30.526 26.125 -4.206 1.00 10.51 ? 211 ASP A C 1 +ATOM 1579 O O . ASP A 1 211 ? 31.195 25.878 -5.205 1.00 10.04 ? 211 ASP A O 1 +ATOM 1580 C CB . ASP A 1 211 ? 30.635 28.223 -2.913 1.00 12.04 ? 211 ASP A CB 1 +ATOM 1581 C CG . ASP A 1 211 ? 30.176 29.649 -2.720 1.00 13.00 ? 211 ASP A CG 1 +ATOM 1582 O OD1 . ASP A 1 211 ? 29.843 30.315 -3.722 1.00 13.92 ? 211 ASP A OD1 1 +ATOM 1583 O OD2 . ASP A 1 211 ? 30.174 30.111 -1.557 1.00 13.90 ? 211 ASP A OD2 1 +ATOM 1584 N N . ALA A 1 212 ? 30.337 25.250 -3.223 1.00 9.95 ? 212 ALA A N 1 +ATOM 1585 C CA . ALA A 1 212 ? 30.917 23.912 -3.263 1.00 9.72 ? 212 ALA A CA 1 +ATOM 1586 C C . ALA A 1 212 ? 30.530 23.179 -4.537 1.00 9.54 ? 212 ALA A C 1 +ATOM 1587 O O . ALA A 1 212 ? 31.353 22.499 -5.149 1.00 9.19 ? 212 ALA A O 1 +ATOM 1588 C CB . ALA A 1 212 ? 30.470 23.111 -2.042 1.00 9.71 ? 212 ALA A CB 1 +ATOM 1589 N N . GLN A 1 213 ? 29.271 23.318 -4.936 1.00 9.54 ? 213 GLN A N 1 +ATOM 1590 C CA . GLN A 1 213 ? 28.783 22.665 -6.140 1.00 9.71 ? 213 GLN A CA 1 +ATOM 1591 C C . GLN A 1 213 ? 29.575 23.114 -7.365 1.00 9.72 ? 213 GLN A C 1 +ATOM 1592 O O . GLN A 1 213 ? 29.931 22.298 -8.217 1.00 9.65 ? 213 GLN A O 1 +ATOM 1593 C CB . GLN A 1 213 ? 27.298 22.972 -6.331 1.00 9.98 ? 213 GLN A CB 1 +ATOM 1594 C CG . GLN A 1 213 ? 26.685 22.340 -7.561 1.00 10.92 ? 213 GLN A CG 1 +ATOM 1595 C CD . GLN A 1 213 ? 25.197 22.597 -7.653 1.00 11.53 ? 213 GLN A CD 1 +ATOM 1596 O OE1 . GLN A 1 213 ? 24.746 23.735 -7.541 1.00 12.16 ? 213 GLN A OE1 1 +ATOM 1597 N NE2 . GLN A 1 213 ? 24.425 21.536 -7.857 1.00 12.06 ? 213 GLN A NE2 1 +ATOM 1598 N N . LYS A 1 214 ? 29.848 24.412 -7.450 1.00 9.82 ? 214 LYS A N 1 +ATOM 1599 C CA . LYS A 1 214 ? 30.603 24.969 -8.569 1.00 10.08 ? 214 LYS A CA 1 +ATOM 1600 C C . LYS A 1 214 ? 32.027 24.419 -8.611 1.00 9.46 ? 214 LYS A C 1 +ATOM 1601 O O . LYS A 1 214 ? 32.521 24.040 -9.671 1.00 9.64 ? 214 LYS A O 1 +ATOM 1602 C CB . LYS A 1 214 ? 30.651 26.498 -8.472 1.00 11.17 ? 214 LYS A CB 1 +ATOM 1603 C CG . LYS A 1 214 ? 29.298 27.176 -8.584 1.00 12.82 ? 214 LYS A CG 1 +ATOM 1604 C CD . LYS A 1 214 ? 29.441 28.691 -8.539 1.00 14.02 ? 214 LYS A CD 1 +ATOM 1605 C CE . LYS A 1 214 ? 28.093 29.384 -8.686 1.00 14.89 ? 214 LYS A CE 1 +ATOM 1606 N NZ . LYS A 1 214 ? 27.154 29.014 -7.587 1.00 15.78 ? 214 LYS A NZ 1 +ATOM 1607 N N . TYR A 1 215 ? 32.687 24.378 -7.457 1.00 8.79 ? 215 TYR A N 1 +ATOM 1608 C CA . TYR A 1 215 ? 34.050 23.870 -7.398 1.00 8.28 ? 215 TYR A CA 1 +ATOM 1609 C C . TYR A 1 215 ? 34.131 22.403 -7.811 1.00 8.09 ? 215 TYR A C 1 +ATOM 1610 O O . TYR A 1 215 ? 35.042 22.006 -8.536 1.00 7.97 ? 215 TYR A O 1 +ATOM 1611 C CB . TYR A 1 215 ? 34.621 24.071 -5.989 1.00 7.93 ? 215 TYR A CB 1 +ATOM 1612 C CG . TYR A 1 215 ? 35.044 25.499 -5.721 1.00 7.47 ? 215 TYR A CG 1 +ATOM 1613 C CD1 . TYR A 1 215 ? 36.144 26.049 -6.374 1.00 7.30 ? 215 TYR A CD1 1 +ATOM 1614 C CD2 . TYR A 1 215 ? 34.321 26.313 -4.851 1.00 7.46 ? 215 TYR A CD2 1 +ATOM 1615 C CE1 . TYR A 1 215 ? 36.516 27.377 -6.174 1.00 7.42 ? 215 TYR A CE1 1 +ATOM 1616 C CE2 . TYR A 1 215 ? 34.683 27.646 -4.643 1.00 7.48 ? 215 TYR A CE2 1 +ATOM 1617 C CZ . TYR A 1 215 ? 35.781 28.169 -5.311 1.00 7.41 ? 215 TYR A CZ 1 +ATOM 1618 O OH . TYR A 1 215 ? 36.134 29.487 -5.138 1.00 7.73 ? 215 TYR A OH 1 +ATOM 1619 N N . LEU A 1 216 ? 33.176 21.599 -7.362 1.00 7.94 ? 216 LEU A N 1 +ATOM 1620 C CA . LEU A 1 216 ? 33.177 20.188 -7.727 1.00 7.97 ? 216 LEU A CA 1 +ATOM 1621 C C . LEU A 1 216 ? 32.859 20.009 -9.204 1.00 8.02 ? 216 LEU A C 1 +ATOM 1622 O O . LEU A 1 216 ? 33.350 19.080 -9.840 1.00 7.97 ? 216 LEU A O 1 +ATOM 1623 C CB . LEU A 1 216 ? 32.168 19.410 -6.881 1.00 7.99 ? 216 LEU A CB 1 +ATOM 1624 C CG . LEU A 1 216 ? 32.631 19.099 -5.456 1.00 8.22 ? 216 LEU A CG 1 +ATOM 1625 C CD1 . LEU A 1 216 ? 31.492 18.500 -4.659 1.00 8.51 ? 216 LEU A CD1 1 +ATOM 1626 C CD2 . LEU A 1 216 ? 33.816 18.143 -5.507 1.00 8.24 ? 216 LEU A CD2 1 +ATOM 1627 N N . ALA A 1 217 ? 32.045 20.903 -9.756 1.00 8.16 ? 217 ALA A N 1 +ATOM 1628 C CA . ALA A 1 217 ? 31.687 20.818 -11.167 1.00 8.32 ? 217 ALA A CA 1 +ATOM 1629 C C . ALA A 1 217 ? 32.921 20.955 -12.061 1.00 8.36 ? 217 ALA A C 1 +ATOM 1630 O O . ALA A 1 217 ? 33.012 20.312 -13.109 1.00 8.59 ? 217 ALA A O 1 +ATOM 1631 C CB . ALA A 1 217 ? 30.659 21.890 -11.516 1.00 8.61 ? 217 ALA A CB 1 +ATOM 1632 N N . ILE A 1 218 ? 33.870 21.792 -11.650 1.00 8.33 ? 218 ILE A N 1 +ATOM 1633 C CA . ILE A 1 218 ? 35.096 21.986 -12.422 1.00 8.48 ? 218 ILE A CA 1 +ATOM 1634 C C . ILE A 1 218 ? 35.898 20.685 -12.450 1.00 8.36 ? 218 ILE A C 1 +ATOM 1635 O O . ILE A 1 218 ? 36.428 20.289 -13.490 1.00 8.40 ? 218 ILE A O 1 +ATOM 1636 C CB . ILE A 1 218 ? 35.984 23.097 -11.810 1.00 8.64 ? 218 ILE A CB 1 +ATOM 1637 C CG1 . ILE A 1 218 ? 35.223 24.426 -11.789 1.00 8.80 ? 218 ILE A CG1 1 +ATOM 1638 C CG2 . ILE A 1 218 ? 37.273 23.240 -12.615 1.00 8.68 ? 218 ILE A CG2 1 +ATOM 1639 C CD1 . ILE A 1 218 ? 35.959 25.537 -11.066 1.00 9.19 ? 218 ILE A CD1 1 +ATOM 1640 N N . ALA A 1 219 ? 35.989 20.030 -11.298 1.00 8.34 ? 219 ALA A N 1 +ATOM 1641 C CA . ALA A 1 219 ? 36.719 18.776 -11.187 1.00 8.37 ? 219 ALA A CA 1 +ATOM 1642 C C . ALA A 1 219 ? 36.086 17.700 -12.061 1.00 8.56 ? 219 ALA A C 1 +ATOM 1643 O O . ALA A 1 219 ? 36.784 16.977 -12.774 1.00 8.34 ? 219 ALA A O 1 +ATOM 1644 C CB . ALA A 1 219 ? 36.748 18.318 -9.736 1.00 8.25 ? 219 ALA A CB 1 +ATOM 1645 N N . ASP A 1 220 ? 34.762 17.595 -12.002 1.00 8.81 ? 220 ASP A N 1 +ATOM 1646 C CA . ASP A 1 220 ? 34.052 16.598 -12.796 1.00 9.46 ? 220 ASP A CA 1 +ATOM 1647 C C . ASP A 1 220 ? 34.263 16.844 -14.286 1.00 9.76 ? 220 ASP A C 1 +ATOM 1648 O O . ASP A 1 220 ? 34.439 15.904 -15.055 1.00 9.68 ? 220 ASP A O 1 +ATOM 1649 C CB . ASP A 1 220 ? 32.551 16.628 -12.488 1.00 9.66 ? 220 ASP A CB 1 +ATOM 1650 C CG . ASP A 1 220 ? 32.229 16.185 -11.068 1.00 10.02 ? 220 ASP A CG 1 +ATOM 1651 O OD1 . ASP A 1 220 ? 33.125 15.655 -10.379 1.00 10.40 ? 220 ASP A OD1 1 +ATOM 1652 O OD2 . ASP A 1 220 ? 31.067 16.362 -10.640 1.00 10.25 ? 220 ASP A OD2 1 +ATOM 1653 N N . GLU A 1 221 ? 34.247 18.111 -14.684 1.00 10.13 ? 221 GLU A N 1 +ATOM 1654 C CA . GLU A 1 221 ? 34.426 18.485 -16.083 1.00 10.80 ? 221 GLU A CA 1 +ATOM 1655 C C . GLU A 1 221 ? 35.803 18.109 -16.608 1.00 10.80 ? 221 GLU A C 1 +ATOM 1656 O O . GLU A 1 221 ? 35.932 17.537 -17.689 1.00 10.81 ? 221 GLU A O 1 +ATOM 1657 C CB . GLU A 1 221 ? 34.225 19.993 -16.246 1.00 11.43 ? 221 GLU A CB 1 +ATOM 1658 C CG . GLU A 1 221 ? 34.411 20.514 -17.664 1.00 12.87 ? 221 GLU A CG 1 +ATOM 1659 C CD . GLU A 1 221 ? 34.477 22.030 -17.719 1.00 13.53 ? 221 GLU A CD 1 +ATOM 1660 O OE1 . GLU A 1 221 ? 33.589 22.689 -17.140 1.00 14.81 ? 221 GLU A OE1 1 +ATOM 1661 O OE2 . GLU A 1 221 ? 35.417 22.566 -18.343 1.00 14.47 ? 221 GLU A OE2 1 +ATOM 1662 N N . LEU A 1 222 ? 36.833 18.430 -15.833 1.00 10.73 ? 222 LEU A N 1 +ATOM 1663 C CA . LEU A 1 222 ? 38.204 18.158 -16.239 1.00 10.85 ? 222 LEU A CA 1 +ATOM 1664 C C . LEU A 1 222 ? 38.691 16.726 -16.075 1.00 10.83 ? 222 LEU A C 1 +ATOM 1665 O O . LEU A 1 222 ? 39.459 16.240 -16.903 1.00 11.08 ? 222 LEU A O 1 +ATOM 1666 C CB . LEU A 1 222 ? 39.163 19.083 -15.484 1.00 11.15 ? 222 LEU A CB 1 +ATOM 1667 C CG . LEU A 1 222 ? 39.055 20.587 -15.743 1.00 11.69 ? 222 LEU A CG 1 +ATOM 1668 C CD1 . LEU A 1 222 ? 40.051 21.320 -14.858 1.00 11.91 ? 222 LEU A CD1 1 +ATOM 1669 C CD2 . LEU A 1 222 ? 39.327 20.881 -17.207 1.00 12.22 ? 222 LEU A CD2 1 +ATOM 1670 N N . PHE A 1 223 ? 38.246 16.043 -15.027 1.00 10.69 ? 223 PHE A N 1 +ATOM 1671 C CA . PHE A 1 223 ? 38.727 14.691 -14.770 1.00 10.72 ? 223 PHE A CA 1 +ATOM 1672 C C . PHE A 1 223 ? 37.706 13.560 -14.725 1.00 10.88 ? 223 PHE A C 1 +ATOM 1673 O O . PHE A 1 223 ? 38.080 12.399 -14.568 1.00 11.05 ? 223 PHE A O 1 +ATOM 1674 C CB . PHE A 1 223 ? 39.517 14.699 -13.461 1.00 10.34 ? 223 PHE A CB 1 +ATOM 1675 C CG . PHE A 1 223 ? 40.629 15.711 -13.434 1.00 10.03 ? 223 PHE A CG 1 +ATOM 1676 C CD1 . PHE A 1 223 ? 41.705 15.606 -14.309 1.00 10.03 ? 223 PHE A CD1 1 +ATOM 1677 C CD2 . PHE A 1 223 ? 40.598 16.774 -12.538 1.00 10.17 ? 223 PHE A CD2 1 +ATOM 1678 C CE1 . PHE A 1 223 ? 42.733 16.542 -14.291 1.00 10.13 ? 223 PHE A CE1 1 +ATOM 1679 C CE2 . PHE A 1 223 ? 41.623 17.716 -12.515 1.00 10.17 ? 223 PHE A CE2 1 +ATOM 1680 C CZ . PHE A 1 223 ? 42.690 17.598 -13.392 1.00 10.11 ? 223 PHE A CZ 1 +ATOM 1681 N N . GLY A 1 224 ? 36.427 13.884 -14.863 1.00 11.25 ? 224 GLY A N 1 +ATOM 1682 C CA . GLY A 1 224 ? 35.411 12.849 -14.802 1.00 11.66 ? 224 GLY A CA 1 +ATOM 1683 C C . GLY A 1 224 ? 34.783 12.840 -13.422 1.00 12.06 ? 224 GLY A C 1 +ATOM 1684 O O . GLY A 1 224 ? 35.436 13.177 -12.435 1.00 11.91 ? 224 GLY A O 1 +ATOM 1685 N N . ALA A 1 225 ? 33.521 12.438 -13.347 1.00 12.46 ? 225 ALA A N 1 +ATOM 1686 C CA . ALA A 1 225 ? 32.787 12.419 -12.087 1.00 12.85 ? 225 ALA A CA 1 +ATOM 1687 C C . ALA A 1 225 ? 33.359 11.558 -10.958 1.00 13.04 ? 225 ALA A C 1 +ATOM 1688 O O . ALA A 1 225 ? 33.047 11.792 -9.791 1.00 13.29 ? 225 ALA A O 1 +ATOM 1689 C CB . ALA A 1 225 ? 31.332 12.018 -12.353 1.00 13.07 ? 225 ALA A CB 1 +ATOM 1690 N N . ASP A 1 226 ? 34.196 10.578 -11.281 1.00 13.18 ? 226 ASP A N 1 +ATOM 1691 C CA . ASP A 1 226 ? 34.744 9.704 -10.244 1.00 13.36 ? 226 ASP A CA 1 +ATOM 1692 C C . ASP A 1 226 ? 36.109 10.094 -9.685 1.00 12.73 ? 226 ASP A C 1 +ATOM 1693 O O . ASP A 1 226 ? 36.600 9.462 -8.749 1.00 13.08 ? 226 ASP A O 1 +ATOM 1694 C CB . ASP A 1 226 ? 34.829 8.266 -10.759 1.00 14.61 ? 226 ASP A CB 1 +ATOM 1695 C CG . ASP A 1 226 ? 33.492 7.732 -11.223 1.00 15.56 ? 226 ASP A CG 1 +ATOM 1696 O OD1 . ASP A 1 226 ? 32.510 7.826 -10.455 1.00 16.57 ? 226 ASP A OD1 1 +ATOM 1697 O OD2 . ASP A 1 226 ? 33.427 7.210 -12.356 1.00 16.67 ? 226 ASP A OD2 1 +ATOM 1698 N N . TRP A 1 227 ? 36.716 11.134 -10.241 1.00 11.76 ? 227 TRP A N 1 +ATOM 1699 C CA . TRP A 1 227 ? 38.039 11.560 -9.800 1.00 10.94 ? 227 TRP A CA 1 +ATOM 1700 C C . TRP A 1 227 ? 38.139 12.179 -8.406 1.00 10.49 ? 227 TRP A C 1 +ATOM 1701 O O . TRP A 1 227 ? 39.052 11.861 -7.649 1.00 10.41 ? 227 TRP A O 1 +ATOM 1702 C CB . TRP A 1 227 ? 38.624 12.549 -10.808 1.00 10.58 ? 227 TRP A CB 1 +ATOM 1703 C CG . TRP A 1 227 ? 40.011 12.992 -10.457 1.00 10.16 ? 227 TRP A CG 1 +ATOM 1704 C CD1 . TRP A 1 227 ? 41.164 12.279 -10.615 1.00 10.18 ? 227 TRP A CD1 1 +ATOM 1705 C CD2 . TRP A 1 227 ? 40.389 14.235 -9.851 1.00 9.88 ? 227 TRP A CD2 1 +ATOM 1706 N NE1 . TRP A 1 227 ? 42.236 12.999 -10.146 1.00 10.06 ? 227 TRP A NE1 1 +ATOM 1707 C CE2 . TRP A 1 227 ? 41.790 14.203 -9.671 1.00 9.98 ? 227 TRP A CE2 1 +ATOM 1708 C CE3 . TRP A 1 227 ? 39.680 15.370 -9.440 1.00 9.95 ? 227 TRP A CE3 1 +ATOM 1709 C CZ2 . TRP A 1 227 ? 42.498 15.266 -9.101 1.00 9.80 ? 227 TRP A CZ2 1 +ATOM 1710 C CZ3 . TRP A 1 227 ? 40.384 16.426 -8.871 1.00 9.75 ? 227 TRP A CZ3 1 +ATOM 1711 C CH2 . TRP A 1 227 ? 41.780 16.366 -8.708 1.00 9.86 ? 227 TRP A CH2 1 +ATOM 1712 N N . ALA A 1 228 ? 37.198 13.053 -8.064 1.00 10.02 ? 228 ALA A N 1 +ATOM 1713 C CA . ALA A 1 228 ? 37.239 13.762 -6.789 1.00 9.63 ? 228 ALA A CA 1 +ATOM 1714 C C . ALA A 1 228 ? 36.955 13.018 -5.486 1.00 9.44 ? 228 ALA A C 1 +ATOM 1715 O O . ALA A 1 228 ? 35.979 13.323 -4.800 1.00 9.53 ? 228 ALA A O 1 +ATOM 1716 C CB . ALA A 1 228 ? 36.345 14.995 -6.875 1.00 9.70 ? 228 ALA A CB 1 +ATOM 1717 N N . ASP A 1 229 ? 37.808 12.060 -5.133 1.00 9.04 ? 229 ASP A N 1 +ATOM 1718 C CA . ASP A 1 229 ? 37.647 11.335 -3.875 1.00 8.48 ? 229 ASP A CA 1 +ATOM 1719 C C . ASP A 1 229 ? 38.520 12.034 -2.822 1.00 8.05 ? 229 ASP A C 1 +ATOM 1720 O O . ASP A 1 229 ? 39.164 13.042 -3.122 1.00 7.80 ? 229 ASP A O 1 +ATOM 1721 C CB . ASP A 1 229 ? 38.039 9.855 -4.023 1.00 8.81 ? 229 ASP A CB 1 +ATOM 1722 C CG . ASP A 1 229 ? 39.429 9.659 -4.593 1.00 9.29 ? 229 ASP A CG 1 +ATOM 1723 O OD1 . ASP A 1 229 ? 40.301 10.521 -4.376 1.00 9.27 ? 229 ASP A OD1 1 +ATOM 1724 O OD2 . ASP A 1 229 ? 39.656 8.619 -5.250 1.00 9.97 ? 229 ASP A OD2 1 +ATOM 1725 N N . ALA A 1 230 ? 38.544 11.508 -1.600 1.00 7.53 ? 230 ALA A N 1 +ATOM 1726 C CA . ALA A 1 230 ? 39.313 12.127 -0.519 1.00 7.26 ? 230 ALA A CA 1 +ATOM 1727 C C . ALA A 1 230 ? 40.803 12.300 -0.796 1.00 6.87 ? 230 ALA A C 1 +ATOM 1728 O O . ALA A 1 230 ? 41.423 13.236 -0.289 1.00 6.97 ? 230 ALA A O 1 +ATOM 1729 C CB . ALA A 1 230 ? 39.113 11.345 0.772 1.00 7.47 ? 230 ALA A CB 1 +ATOM 1730 N N . ARG A 1 231 ? 41.392 11.410 -1.587 1.00 6.48 ? 231 ARG A N 1 +ATOM 1731 C CA . ARG A 1 231 ? 42.812 11.526 -1.892 1.00 6.24 ? 231 ARG A CA 1 +ATOM 1732 C C . ARG A 1 231 ? 43.077 12.595 -2.945 1.00 6.11 ? 231 ARG A C 1 +ATOM 1733 O O . ARG A 1 231 ? 44.204 13.073 -3.079 1.00 6.13 ? 231 ARG A O 1 +ATOM 1734 C CB . ARG A 1 231 ? 43.370 10.180 -2.380 1.00 6.34 ? 231 ARG A CB 1 +ATOM 1735 C CG . ARG A 1 231 ? 44.809 10.235 -2.937 1.00 6.20 ? 231 ARG A CG 1 +ATOM 1736 C CD . ARG A 1 231 ? 45.825 10.661 -1.877 1.00 6.84 ? 231 ARG A CD 1 +ATOM 1737 N NE . ARG A 1 231 ? 47.192 10.746 -2.396 1.00 6.72 ? 231 ARG A NE 1 +ATOM 1738 C CZ . ARG A 1 231 ? 47.698 11.792 -3.046 1.00 6.50 ? 231 ARG A CZ 1 +ATOM 1739 N NH1 . ARG A 1 231 ? 46.958 12.869 -3.267 1.00 6.63 ? 231 ARG A NH1 1 +ATOM 1740 N NH2 . ARG A 1 231 ? 48.952 11.762 -3.476 1.00 6.60 ? 231 ARG A NH2 1 +ATOM 1741 N N . HIS A 1 232 ? 42.043 12.996 -3.678 1.00 5.98 ? 232 HIS A N 1 +ATOM 1742 C CA . HIS A 1 232 ? 42.240 13.979 -4.734 1.00 5.98 ? 232 HIS A CA 1 +ATOM 1743 C C . HIS A 1 232 ? 41.507 15.303 -4.624 1.00 5.60 ? 232 HIS A C 1 +ATOM 1744 O O . HIS A 1 232 ? 41.735 16.197 -5.442 1.00 5.43 ? 232 HIS A O 1 +ATOM 1745 C CB . HIS A 1 232 ? 41.919 13.342 -6.088 1.00 6.53 ? 232 HIS A CB 1 +ATOM 1746 C CG . HIS A 1 232 ? 42.775 12.156 -6.404 1.00 7.04 ? 232 HIS A CG 1 +ATOM 1747 N ND1 . HIS A 1 232 ? 42.513 10.894 -5.913 1.00 7.10 ? 232 HIS A ND1 1 +ATOM 1748 C CD2 . HIS A 1 232 ? 43.927 12.053 -7.106 1.00 7.19 ? 232 HIS A CD2 1 +ATOM 1749 C CE1 . HIS A 1 232 ? 43.467 10.067 -6.298 1.00 7.28 ? 232 HIS A CE1 1 +ATOM 1750 N NE2 . HIS A 1 232 ? 44.339 10.745 -7.022 1.00 7.27 ? 232 HIS A NE2 1 +ATOM 1751 N N . TYR A 1 233 ? 40.645 15.448 -3.623 1.00 5.29 ? 233 TYR A N 1 +ATOM 1752 C CA . TYR A 1 233 ? 39.907 16.691 -3.482 1.00 5.16 ? 233 TYR A CA 1 +ATOM 1753 C C . TYR A 1 233 ? 39.512 16.945 -2.038 1.00 4.89 ? 233 TYR A C 1 +ATOM 1754 O O . TYR A 1 233 ? 39.110 16.027 -1.332 1.00 4.98 ? 233 TYR A O 1 +ATOM 1755 C CB . TYR A 1 233 ? 38.649 16.642 -4.358 1.00 5.59 ? 233 TYR A CB 1 +ATOM 1756 C CG . TYR A 1 233 ? 38.141 18.003 -4.762 1.00 5.66 ? 233 TYR A CG 1 +ATOM 1757 C CD1 . TYR A 1 233 ? 37.449 18.813 -3.860 1.00 6.02 ? 233 TYR A CD1 1 +ATOM 1758 C CD2 . TYR A 1 233 ? 38.400 18.505 -6.037 1.00 5.97 ? 233 TYR A CD2 1 +ATOM 1759 C CE1 . TYR A 1 233 ? 37.034 20.092 -4.219 1.00 6.29 ? 233 TYR A CE1 1 +ATOM 1760 C CE2 . TYR A 1 233 ? 37.991 19.780 -6.406 1.00 6.20 ? 233 TYR A CE2 1 +ATOM 1761 C CZ . TYR A 1 233 ? 37.311 20.569 -5.493 1.00 6.32 ? 233 TYR A CZ 1 +ATOM 1762 O OH . TYR A 1 233 ? 36.920 21.840 -5.845 1.00 7.53 ? 233 TYR A OH 1 +ATOM 1763 N N . ARG A 1 234 ? 39.656 18.193 -1.600 1.00 4.92 ? 234 ARG A N 1 +ATOM 1764 C CA . ARG A 1 234 ? 39.268 18.590 -0.248 1.00 4.92 ? 234 ARG A CA 1 +ATOM 1765 C C . ARG A 1 234 ? 38.800 20.031 -0.253 1.00 5.02 ? 234 ARG A C 1 +ATOM 1766 O O . ARG A 1 234 ? 39.276 20.848 -1.044 1.00 5.05 ? 234 ARG A O 1 +ATOM 1767 C CB . ARG A 1 234 ? 40.434 18.519 0.742 1.00 5.06 ? 234 ARG A CB 1 +ATOM 1768 C CG . ARG A 1 234 ? 41.071 17.171 0.921 1.00 4.85 ? 234 ARG A CG 1 +ATOM 1769 C CD . ARG A 1 234 ? 40.203 16.157 1.644 1.00 5.13 ? 234 ARG A CD 1 +ATOM 1770 N NE . ARG A 1 234 ? 40.986 14.935 1.740 1.00 5.20 ? 234 ARG A NE 1 +ATOM 1771 C CZ . ARG A 1 234 ? 41.974 14.751 2.606 1.00 5.53 ? 234 ARG A CZ 1 +ATOM 1772 N NH1 . ARG A 1 234 ? 42.284 15.696 3.487 1.00 5.51 ? 234 ARG A NH1 1 +ATOM 1773 N NH2 . ARG A 1 234 ? 42.720 13.662 2.525 1.00 5.72 ? 234 ARG A NH2 1 +ATOM 1774 N N . PHE A 1 235 ? 37.875 20.339 0.645 1.00 5.10 ? 235 PHE A N 1 +ATOM 1775 C CA . PHE A 1 235 ? 37.388 21.701 0.798 1.00 5.53 ? 235 PHE A CA 1 +ATOM 1776 C C . PHE A 1 235 ? 37.972 22.255 2.095 1.00 5.72 ? 235 PHE A C 1 +ATOM 1777 O O . PHE A 1 235 ? 37.716 21.719 3.172 1.00 6.09 ? 235 PHE A O 1 +ATOM 1778 C CB . PHE A 1 235 ? 35.859 21.724 0.886 1.00 5.73 ? 235 PHE A CB 1 +ATOM 1779 C CG . PHE A 1 235 ? 35.173 21.736 -0.451 1.00 5.96 ? 235 PHE A CG 1 +ATOM 1780 C CD1 . PHE A 1 235 ? 35.170 22.886 -1.234 1.00 6.03 ? 235 PHE A CD1 1 +ATOM 1781 C CD2 . PHE A 1 235 ? 34.553 20.593 -0.937 1.00 6.25 ? 235 PHE A CD2 1 +ATOM 1782 C CE1 . PHE A 1 235 ? 34.559 22.895 -2.484 1.00 5.93 ? 235 PHE A CE1 1 +ATOM 1783 C CE2 . PHE A 1 235 ? 33.939 20.593 -2.187 1.00 6.16 ? 235 PHE A CE2 1 +ATOM 1784 C CZ . PHE A 1 235 ? 33.943 21.742 -2.959 1.00 5.77 ? 235 PHE A CZ 1 +ATOM 1785 N N . GLY A 1 236 ? 38.779 23.305 1.989 1.00 5.85 ? 236 GLY A N 1 +ATOM 1786 C CA . GLY A 1 236 ? 39.325 23.926 3.183 1.00 6.48 ? 236 GLY A CA 1 +ATOM 1787 C C . GLY A 1 236 ? 38.265 24.929 3.593 1.00 6.85 ? 236 GLY A C 1 +ATOM 1788 O O . GLY A 1 236 ? 38.181 26.011 3.011 1.00 6.98 ? 236 GLY A O 1 +ATOM 1789 N N . ALA A 1 237 ? 37.446 24.579 4.581 1.00 7.54 ? 237 ALA A N 1 +ATOM 1790 C CA . ALA A 1 237 ? 36.367 25.464 4.996 1.00 8.16 ? 237 ALA A CA 1 +ATOM 1791 C C . ALA A 1 237 ? 35.893 25.233 6.421 1.00 8.84 ? 237 ALA A C 1 +ATOM 1792 O O . ALA A 1 237 ? 36.319 24.300 7.095 1.00 8.77 ? 237 ALA A O 1 +ATOM 1793 C CB . ALA A 1 237 ? 35.190 25.313 4.033 1.00 8.32 ? 237 ALA A CB 1 +ATOM 1794 N N . SER A 1 238 ? 34.979 26.092 6.861 1.00 9.77 ? 238 SER A N 1 +ATOM 1795 C CA . SER A 1 238 ? 34.433 26.014 8.205 1.00 10.56 ? 238 SER A CA 1 +ATOM 1796 C C . SER A 1 238 ? 32.916 26.190 8.202 1.00 10.89 ? 238 SER A C 1 +ATOM 1797 O O . SER A 1 238 ? 32.173 25.214 8.309 1.00 11.17 ? 238 SER A O 1 +ATOM 1798 C CB . SER A 1 238 ? 35.088 27.081 9.083 1.00 10.82 ? 238 SER A CB 1 +ATOM 1799 O OG . SER A 1 238 ? 35.050 28.352 8.456 1.00 11.57 ? 238 SER A OG 1 +ATOM 1800 N N . SER A 1 239 ? 32.460 27.433 8.069 1.00 11.35 ? 239 SER A N 1 +ATOM 1801 C CA . SER A 1 239 ? 31.029 27.722 8.059 1.00 11.61 ? 239 SER A CA 1 +ATOM 1802 C C . SER A 1 239 ? 30.316 26.973 6.938 1.00 11.29 ? 239 SER A C 1 +ATOM 1803 O O . SER A 1 239 ? 29.093 26.812 6.966 1.00 11.80 ? 239 SER A O 1 +ATOM 1804 C CB . SER A 1 239 ? 30.792 29.230 7.911 1.00 12.19 ? 239 SER A CB 1 +ATOM 1805 O OG . SER A 1 239 ? 31.324 29.718 6.693 1.00 13.88 ? 239 SER A OG 1 +ATOM 1806 N N . LEU A 1 240 ? 31.081 26.512 5.956 1.00 10.58 ? 240 LEU A N 1 +ATOM 1807 C CA . LEU A 1 240 ? 30.507 25.780 4.837 1.00 9.77 ? 240 LEU A CA 1 +ATOM 1808 C C . LEU A 1 240 ? 29.695 24.582 5.313 1.00 9.49 ? 240 LEU A C 1 +ATOM 1809 O O . LEU A 1 240 ? 28.629 24.294 4.769 1.00 9.23 ? 240 LEU A O 1 +ATOM 1810 C CB . LEU A 1 240 ? 31.609 25.287 3.893 1.00 9.52 ? 240 LEU A CB 1 +ATOM 1811 C CG . LEU A 1 240 ? 31.138 24.362 2.762 1.00 9.33 ? 240 LEU A CG 1 +ATOM 1812 C CD1 . LEU A 1 240 ? 30.204 25.127 1.836 1.00 9.49 ? 240 LEU A CD1 1 +ATOM 1813 C CD2 . LEU A 1 240 ? 32.331 23.829 1.986 1.00 9.43 ? 240 LEU A CD2 1 +ATOM 1814 N N . LEU A 1 241 ? 30.192 23.890 6.332 1.00 9.51 ? 241 LEU A N 1 +ATOM 1815 C CA . LEU A 1 241 ? 29.509 22.702 6.832 1.00 9.56 ? 241 LEU A CA 1 +ATOM 1816 C C . LEU A 1 241 ? 28.044 22.934 7.187 1.00 9.82 ? 241 LEU A C 1 +ATOM 1817 O O . LEU A 1 241 ? 27.184 22.128 6.825 1.00 9.65 ? 241 LEU A O 1 +ATOM 1818 C CB . LEU A 1 241 ? 30.256 22.131 8.038 1.00 9.74 ? 241 LEU A CB 1 +ATOM 1819 C CG . LEU A 1 241 ? 29.705 20.809 8.578 1.00 10.10 ? 241 LEU A CG 1 +ATOM 1820 C CD1 . LEU A 1 241 ? 29.568 19.794 7.448 1.00 10.25 ? 241 LEU A CD1 1 +ATOM 1821 C CD2 . LEU A 1 241 ? 30.635 20.290 9.662 1.00 10.55 ? 241 LEU A CD2 1 +ATOM 1822 N N . ALA A 1 242 ? 27.762 24.031 7.884 1.00 9.85 ? 242 ALA A N 1 +ATOM 1823 C CA . ALA A 1 242 ? 26.391 24.354 8.271 1.00 10.20 ? 242 ALA A CA 1 +ATOM 1824 C C . ALA A 1 242 ? 25.508 24.539 7.038 1.00 10.36 ? 242 ALA A C 1 +ATOM 1825 O O . ALA A 1 242 ? 24.337 24.147 7.035 1.00 10.47 ? 242 ALA A O 1 +ATOM 1826 C CB . ALA A 1 242 ? 26.368 25.622 9.130 1.00 10.50 ? 242 ALA A CB 1 +ATOM 1827 N N . SER A 1 243 ? 26.070 25.133 5.989 1.00 10.32 ? 243 SER A N 1 +ATOM 1828 C CA . SER A 1 243 ? 25.326 25.360 4.756 1.00 10.27 ? 243 SER A CA 1 +ATOM 1829 C C . SER A 1 243 ? 25.014 24.043 4.052 1.00 10.11 ? 243 SER A C 1 +ATOM 1830 O O . SER A 1 243 ? 23.914 23.850 3.532 1.00 9.89 ? 243 SER A O 1 +ATOM 1831 C CB . SER A 1 243 ? 26.121 26.267 3.813 1.00 10.46 ? 243 SER A CB 1 +ATOM 1832 O OG . SER A 1 243 ? 25.405 26.494 2.610 1.00 11.03 ? 243 SER A OG 1 +ATOM 1833 N N . LEU A 1 244 ? 25.989 23.142 4.030 1.00 10.00 ? 244 LEU A N 1 +ATOM 1834 C CA . LEU A 1 244 ? 25.803 21.845 3.393 1.00 10.12 ? 244 LEU A CA 1 +ATOM 1835 C C . LEU A 1 244 ? 24.729 21.045 4.123 1.00 10.48 ? 244 LEU A C 1 +ATOM 1836 O O . LEU A 1 244 ? 23.876 20.421 3.493 1.00 10.39 ? 244 LEU A O 1 +ATOM 1837 C CB . LEU A 1 244 ? 27.120 21.062 3.380 1.00 9.75 ? 244 LEU A CB 1 +ATOM 1838 C CG . LEU A 1 244 ? 28.262 21.705 2.586 1.00 9.30 ? 244 LEU A CG 1 +ATOM 1839 C CD1 . LEU A 1 244 ? 29.519 20.866 2.727 1.00 9.25 ? 244 LEU A CD1 1 +ATOM 1840 C CD2 . LEU A 1 244 ? 27.872 21.829 1.118 1.00 9.45 ? 244 LEU A CD2 1 +ATOM 1841 N N . LEU A 1 245 ? 24.770 21.061 5.451 1.00 10.87 ? 245 LEU A N 1 +ATOM 1842 C CA . LEU A 1 245 ? 23.780 20.330 6.231 1.00 11.47 ? 245 LEU A CA 1 +ATOM 1843 C C . LEU A 1 245 ? 22.386 20.911 6.026 1.00 11.99 ? 245 LEU A C 1 +ATOM 1844 O O . LEU A 1 245 ? 21.402 20.174 5.957 1.00 12.07 ? 245 LEU A O 1 +ATOM 1845 C CB . LEU A 1 245 ? 24.156 20.345 7.714 1.00 11.35 ? 245 LEU A CB 1 +ATOM 1846 C CG . LEU A 1 245 ? 25.356 19.458 8.073 1.00 11.31 ? 245 LEU A CG 1 +ATOM 1847 C CD1 . LEU A 1 245 ? 25.809 19.747 9.495 1.00 11.42 ? 245 LEU A CD1 1 +ATOM 1848 C CD2 . LEU A 1 245 ? 24.980 17.986 7.909 1.00 11.30 ? 245 LEU A CD2 1 +ATOM 1849 N N . LYS A 1 246 ? 22.299 22.233 5.919 1.00 12.53 ? 246 LYS A N 1 +ATOM 1850 C CA . LYS A 1 246 ? 21.009 22.877 5.710 1.00 13.11 ? 246 LYS A CA 1 +ATOM 1851 C C . LYS A 1 246 ? 20.439 22.440 4.359 1.00 13.23 ? 246 LYS A C 1 +ATOM 1852 O O . LYS A 1 246 ? 19.249 22.141 4.240 1.00 13.21 ? 246 LYS A O 1 +ATOM 1853 C CB . LYS A 1 246 ? 21.165 24.399 5.759 1.00 13.63 ? 246 LYS A CB 1 +ATOM 1854 C CG . LYS A 1 246 ? 19.861 25.170 5.631 1.00 14.71 ? 246 LYS A CG 1 +ATOM 1855 C CD . LYS A 1 246 ? 20.066 26.637 5.971 1.00 15.55 ? 246 LYS A CD 1 +ATOM 1856 C CE . LYS A 1 246 ? 18.773 27.426 5.862 1.00 16.26 ? 246 LYS A CE 1 +ATOM 1857 N NZ . LYS A 1 246 ? 18.258 27.457 4.470 1.00 16.82 ? 246 LYS A NZ 1 +ATOM 1858 N N . ALA A 1 247 ? 21.296 22.387 3.345 1.00 13.37 ? 247 ALA A N 1 +ATOM 1859 C CA . ALA A 1 247 ? 20.873 21.974 2.011 1.00 13.74 ? 247 ALA A CA 1 +ATOM 1860 C C . ALA A 1 247 ? 20.355 20.536 2.033 1.00 14.07 ? 247 ALA A C 1 +ATOM 1861 O O . ALA A 1 247 ? 19.488 20.163 1.238 1.00 14.31 ? 247 ALA A O 1 +ATOM 1862 C CB . ALA A 1 247 ? 22.039 22.091 1.034 1.00 13.60 ? 247 ALA A CB 1 +ATOM 1863 N N . LEU A 1 248 ? 20.888 19.737 2.951 1.00 14.42 ? 248 LEU A N 1 +ATOM 1864 C CA . LEU A 1 248 ? 20.502 18.337 3.084 1.00 14.82 ? 248 LEU A CA 1 +ATOM 1865 C C . LEU A 1 248 ? 19.306 18.127 4.011 1.00 15.24 ? 248 LEU A C 1 +ATOM 1866 O O . LEU A 1 248 ? 18.891 16.993 4.249 1.00 15.41 ? 248 LEU A O 1 +ATOM 1867 C CB . LEU A 1 248 ? 21.697 17.518 3.583 1.00 14.60 ? 248 LEU A CB 1 +ATOM 1868 C CG . LEU A 1 248 ? 22.826 17.319 2.566 1.00 14.44 ? 248 LEU A CG 1 +ATOM 1869 C CD1 . LEU A 1 248 ? 24.085 16.815 3.262 1.00 14.37 ? 248 LEU A CD1 1 +ATOM 1870 C CD2 . LEU A 1 248 ? 22.366 16.342 1.493 1.00 14.60 ? 248 LEU A CD2 1 +ATOM 1871 N N . GLY A 1 249 ? 18.757 19.220 4.533 1.00 15.76 ? 249 GLY A N 1 +ATOM 1872 C CA . GLY A 1 249 ? 17.609 19.121 5.420 1.00 16.47 ? 249 GLY A CA 1 +ATOM 1873 C C . GLY A 1 249 ? 17.987 18.806 6.853 1.00 16.91 ? 249 GLY A C 1 +ATOM 1874 O O . GLY A 1 249 ? 17.144 18.407 7.657 1.00 17.26 ? 249 GLY A O 1 +ATOM 1875 N N . HIS A 1 250 ? 19.263 18.988 7.173 1.00 17.16 ? 250 HIS A N 1 +ATOM 1876 C CA . HIS A 1 250 ? 19.779 18.725 8.510 1.00 17.56 ? 250 HIS A CA 1 +ATOM 1877 C C . HIS A 1 250 ? 20.337 19.995 9.139 1.00 17.92 ? 250 HIS A C 1 +ATOM 1878 O O . HIS A 1 250 ? 20.112 21.081 8.567 1.00 18.54 ? 250 HIS A O 1 +ATOM 1879 C CB . HIS A 1 250 ? 20.872 17.658 8.446 1.00 17.23 ? 250 HIS A CB 1 +ATOM 1880 C CG . HIS A 1 250 ? 20.351 16.273 8.226 1.00 16.96 ? 250 HIS A CG 1 +ATOM 1881 N ND1 . HIS A 1 250 ? 20.080 15.409 9.264 1.00 16.89 ? 250 HIS A ND1 1 +ATOM 1882 C CD2 . HIS A 1 250 ? 20.028 15.610 7.090 1.00 16.80 ? 250 HIS A CD2 1 +ATOM 1883 C CE1 . HIS A 1 250 ? 19.615 14.272 8.778 1.00 16.71 ? 250 HIS A CE1 1 +ATOM 1884 N NE2 . HIS A 1 250 ? 19.573 14.368 7.461 1.00 16.75 ? 250 HIS A NE2 1 +ATOM 1885 O OXT . HIS A 1 250 ? 20.992 19.887 10.196 1.00 18.39 ? 250 HIS A OXT 1 +ATOM 1886 N N . THR B 1 2 ? 75.868 47.435 47.317 1.00 20.33 ? 2 THR B N 1 +ATOM 1887 C CA . THR B 1 2 ? 76.550 46.644 46.255 1.00 20.11 ? 2 THR B CA 1 +ATOM 1888 C C . THR B 1 2 ? 76.010 45.217 46.225 1.00 19.98 ? 2 THR B C 1 +ATOM 1889 O O . THR B 1 2 ? 76.060 44.548 45.194 1.00 20.04 ? 2 THR B O 1 +ATOM 1890 C CB . THR B 1 2 ? 78.078 46.603 46.483 1.00 20.43 ? 2 THR B CB 1 +ATOM 1891 O OG1 . THR B 1 2 ? 78.615 47.927 46.364 1.00 20.52 ? 2 THR B OG1 1 +ATOM 1892 C CG2 . THR B 1 2 ? 78.749 45.699 45.461 1.00 20.47 ? 2 THR B CG2 1 +ATOM 1893 N N . ASP B 1 3 ? 75.491 44.760 47.360 1.00 19.72 ? 3 ASP B N 1 +ATOM 1894 C CA . ASP B 1 3 ? 74.940 43.413 47.464 1.00 19.54 ? 3 ASP B CA 1 +ATOM 1895 C C . ASP B 1 3 ? 73.783 43.196 46.495 1.00 19.01 ? 3 ASP B C 1 +ATOM 1896 O O . ASP B 1 3 ? 73.740 42.189 45.789 1.00 18.89 ? 3 ASP B O 1 +ATOM 1897 C CB . ASP B 1 3 ? 74.469 43.149 48.895 1.00 20.20 ? 3 ASP B CB 1 +ATOM 1898 C CG . ASP B 1 3 ? 75.621 42.925 49.854 1.00 20.80 ? 3 ASP B CG 1 +ATOM 1899 O OD1 . ASP B 1 3 ? 76.620 43.668 49.769 1.00 21.56 ? 3 ASP B OD1 1 +ATOM 1900 O OD2 . ASP B 1 3 ? 75.522 42.012 50.700 1.00 21.44 ? 3 ASP B OD2 1 +ATOM 1901 N N . LEU B 1 4 ? 72.847 44.139 46.462 1.00 18.34 ? 4 LEU B N 1 +ATOM 1902 C CA . LEU B 1 4 ? 71.698 44.024 45.571 1.00 17.59 ? 4 LEU B CA 1 +ATOM 1903 C C . LEU B 1 4 ? 72.116 44.105 44.108 1.00 17.12 ? 4 LEU B C 1 +ATOM 1904 O O . LEU B 1 4 ? 71.542 43.427 43.258 1.00 16.82 ? 4 LEU B O 1 +ATOM 1905 C CB . LEU B 1 4 ? 70.662 45.110 45.881 1.00 17.52 ? 4 LEU B CB 1 +ATOM 1906 C CG . LEU B 1 4 ? 69.368 45.070 45.059 1.00 17.66 ? 4 LEU B CG 1 +ATOM 1907 C CD1 . LEU B 1 4 ? 68.741 43.683 45.139 1.00 17.59 ? 4 LEU B CD1 1 +ATOM 1908 C CD2 . LEU B 1 4 ? 68.407 46.130 45.573 1.00 17.70 ? 4 LEU B CD2 1 +ATOM 1909 N N . LYS B 1 5 ? 73.109 44.937 43.805 1.00 16.55 ? 5 LYS B N 1 +ATOM 1910 C CA . LYS B 1 5 ? 73.581 45.055 42.431 1.00 16.04 ? 5 LYS B CA 1 +ATOM 1911 C C . LYS B 1 5 ? 74.236 43.746 42.010 1.00 15.45 ? 5 LYS B C 1 +ATOM 1912 O O . LYS B 1 5 ? 74.026 43.266 40.899 1.00 15.38 ? 5 LYS B O 1 +ATOM 1913 C CB . LYS B 1 5 ? 74.598 46.190 42.297 1.00 16.47 ? 5 LYS B CB 1 +ATOM 1914 C CG . LYS B 1 5 ? 74.006 47.586 42.345 1.00 17.01 ? 5 LYS B CG 1 +ATOM 1915 C CD . LYS B 1 5 ? 75.100 48.627 42.155 1.00 17.59 ? 5 LYS B CD 1 +ATOM 1916 C CE . LYS B 1 5 ? 74.538 50.036 42.140 1.00 17.99 ? 5 LYS B CE 1 +ATOM 1917 N NZ . LYS B 1 5 ? 75.620 51.050 41.983 1.00 18.60 ? 5 LYS B NZ 1 +ATOM 1918 N N . ALA B 1 6 ? 75.031 43.174 42.908 1.00 14.60 ? 6 ALA B N 1 +ATOM 1919 C CA . ALA B 1 6 ? 75.721 41.922 42.630 1.00 13.90 ? 6 ALA B CA 1 +ATOM 1920 C C . ALA B 1 6 ? 74.728 40.801 42.343 1.00 13.37 ? 6 ALA B C 1 +ATOM 1921 O O . ALA B 1 6 ? 74.860 40.084 41.351 1.00 13.22 ? 6 ALA B O 1 +ATOM 1922 C CB . ALA B 1 6 ? 76.618 41.542 43.807 1.00 14.02 ? 6 ALA B CB 1 +ATOM 1923 N N . SER B 1 7 ? 73.727 40.656 43.205 1.00 12.78 ? 7 SER B N 1 +ATOM 1924 C CA . SER B 1 7 ? 72.732 39.607 43.020 1.00 12.27 ? 7 SER B CA 1 +ATOM 1925 C C . SER B 1 7 ? 71.876 39.842 41.778 1.00 11.78 ? 7 SER B C 1 +ATOM 1926 O O . SER B 1 7 ? 71.471 38.888 41.113 1.00 11.36 ? 7 SER B O 1 +ATOM 1927 C CB . SER B 1 7 ? 71.832 39.498 44.256 1.00 12.49 ? 7 SER B CB 1 +ATOM 1928 O OG . SER B 1 7 ? 71.091 40.686 44.465 1.00 13.21 ? 7 SER B OG 1 +ATOM 1929 N N . SER B 1 8 ? 71.609 41.105 41.460 1.00 11.27 ? 8 SER B N 1 +ATOM 1930 C CA . SER B 1 8 ? 70.790 41.434 40.299 1.00 10.91 ? 8 SER B CA 1 +ATOM 1931 C C . SER B 1 8 ? 71.471 41.079 38.983 1.00 10.77 ? 8 SER B C 1 +ATOM 1932 O O . SER B 1 8 ? 70.827 40.564 38.070 1.00 10.58 ? 8 SER B O 1 +ATOM 1933 C CB . SER B 1 8 ? 70.426 42.918 40.313 1.00 10.94 ? 8 SER B CB 1 +ATOM 1934 O OG . SER B 1 8 ? 69.624 43.228 41.437 1.00 10.99 ? 8 SER B OG 1 +ATOM 1935 N N . LEU B 1 9 ? 72.767 41.358 38.875 1.00 10.48 ? 9 LEU B N 1 +ATOM 1936 C CA . LEU B 1 9 ? 73.492 41.027 37.656 1.00 10.37 ? 9 LEU B CA 1 +ATOM 1937 C C . LEU B 1 9 ? 73.548 39.509 37.528 1.00 10.12 ? 9 LEU B C 1 +ATOM 1938 O O . LEU B 1 9 ? 73.399 38.961 36.436 1.00 10.14 ? 9 LEU B O 1 +ATOM 1939 C CB . LEU B 1 9 ? 74.917 41.591 37.695 1.00 10.78 ? 9 LEU B CB 1 +ATOM 1940 C CG . LEU B 1 9 ? 75.768 41.313 36.448 1.00 10.95 ? 9 LEU B CG 1 +ATOM 1941 C CD1 . LEU B 1 9 ? 75.135 41.981 35.233 1.00 11.23 ? 9 LEU B CD1 1 +ATOM 1942 C CD2 . LEU B 1 9 ? 77.185 41.832 36.662 1.00 11.36 ? 9 LEU B CD2 1 +ATOM 1943 N N . ARG B 1 10 ? 73.761 38.831 38.651 1.00 9.86 ? 10 ARG B N 1 +ATOM 1944 C CA . ARG B 1 10 ? 73.830 37.377 38.647 1.00 9.70 ? 10 ARG B CA 1 +ATOM 1945 C C . ARG B 1 10 ? 72.486 36.797 38.209 1.00 9.24 ? 10 ARG B C 1 +ATOM 1946 O O . ARG B 1 10 ? 72.434 35.882 37.387 1.00 9.10 ? 10 ARG B O 1 +ATOM 1947 C CB . ARG B 1 10 ? 74.190 36.852 40.040 1.00 10.50 ? 10 ARG B CB 1 +ATOM 1948 C CG . ARG B 1 10 ? 74.524 35.373 40.064 1.00 11.32 ? 10 ARG B CG 1 +ATOM 1949 C CD . ARG B 1 10 ? 74.702 34.849 41.481 1.00 12.32 ? 10 ARG B CD 1 +ATOM 1950 N NE . ARG B 1 10 ? 75.266 33.503 41.479 1.00 13.30 ? 10 ARG B NE 1 +ATOM 1951 C CZ . ARG B 1 10 ? 75.332 32.714 42.547 1.00 13.53 ? 10 ARG B CZ 1 +ATOM 1952 N NH1 . ARG B 1 10 ? 74.862 33.129 43.714 1.00 13.67 ? 10 ARG B NH1 1 +ATOM 1953 N NH2 . ARG B 1 10 ? 75.879 31.509 42.445 1.00 14.03 ? 10 ARG B NH2 1 +ATOM 1954 N N . ALA B 1 11 ? 71.404 37.340 38.759 1.00 8.75 ? 11 ALA B N 1 +ATOM 1955 C CA . ALA B 1 11 ? 70.059 36.878 38.431 1.00 8.36 ? 11 ALA B CA 1 +ATOM 1956 C C . ALA B 1 11 ? 69.738 37.101 36.957 1.00 8.20 ? 11 ALA B C 1 +ATOM 1957 O O . ALA B 1 11 ? 69.137 36.243 36.310 1.00 8.08 ? 11 ALA B O 1 +ATOM 1958 C CB . ALA B 1 11 ? 69.037 37.594 39.304 1.00 8.27 ? 11 ALA B CB 1 +ATOM 1959 N N . LEU B 1 12 ? 70.134 38.253 36.428 1.00 7.99 ? 12 LEU B N 1 +ATOM 1960 C CA . LEU B 1 12 ? 69.884 38.569 35.028 1.00 7.97 ? 12 LEU B CA 1 +ATOM 1961 C C . LEU B 1 12 ? 70.488 37.491 34.133 1.00 7.97 ? 12 LEU B C 1 +ATOM 1962 O O . LEU B 1 12 ? 69.844 37.003 33.200 1.00 7.84 ? 12 LEU B O 1 +ATOM 1963 C CB . LEU B 1 12 ? 70.488 39.937 34.686 1.00 8.02 ? 12 LEU B CB 1 +ATOM 1964 C CG . LEU B 1 12 ? 70.267 40.505 33.277 1.00 8.05 ? 12 LEU B CG 1 +ATOM 1965 C CD1 . LEU B 1 12 ? 70.353 42.019 33.334 1.00 8.46 ? 12 LEU B CD1 1 +ATOM 1966 C CD2 . LEU B 1 12 ? 71.290 39.945 32.301 1.00 8.29 ? 12 LEU B CD2 1 +ATOM 1967 N N . LYS B 1 13 ? 71.725 37.110 34.434 1.00 8.08 ? 13 LYS B N 1 +ATOM 1968 C CA . LYS B 1 13 ? 72.428 36.108 33.648 1.00 8.08 ? 13 LYS B CA 1 +ATOM 1969 C C . LYS B 1 13 ? 71.904 34.684 33.844 1.00 7.69 ? 13 LYS B C 1 +ATOM 1970 O O . LYS B 1 13 ? 72.347 33.755 33.165 1.00 7.71 ? 13 LYS B O 1 +ATOM 1971 C CB . LYS B 1 13 ? 73.927 36.176 33.953 1.00 8.92 ? 13 LYS B CB 1 +ATOM 1972 C CG . LYS B 1 13 ? 74.558 37.504 33.555 1.00 10.18 ? 13 LYS B CG 1 +ATOM 1973 C CD . LYS B 1 13 ? 76.039 37.540 33.898 1.00 11.53 ? 13 LYS B CD 1 +ATOM 1974 C CE . LYS B 1 13 ? 76.696 38.803 33.376 1.00 12.45 ? 13 LYS B CE 1 +ATOM 1975 N NZ . LYS B 1 13 ? 78.153 38.839 33.690 1.00 13.65 ? 13 LYS B NZ 1 +ATOM 1976 N N . LEU B 1 14 ? 70.962 34.513 34.767 1.00 7.25 ? 14 LEU B N 1 +ATOM 1977 C CA . LEU B 1 14 ? 70.370 33.202 35.029 1.00 7.01 ? 14 LEU B CA 1 +ATOM 1978 C C . LEU B 1 14 ? 68.908 33.187 34.602 1.00 6.74 ? 14 LEU B C 1 +ATOM 1979 O O . LEU B 1 14 ? 68.187 32.223 34.848 1.00 6.52 ? 14 LEU B O 1 +ATOM 1980 C CB . LEU B 1 14 ? 70.458 32.865 36.519 1.00 6.95 ? 14 LEU B CB 1 +ATOM 1981 C CG . LEU B 1 14 ? 71.857 32.696 37.108 1.00 7.01 ? 14 LEU B CG 1 +ATOM 1982 C CD1 . LEU B 1 14 ? 71.758 32.575 38.622 1.00 7.11 ? 14 LEU B CD1 1 +ATOM 1983 C CD2 . LEU B 1 14 ? 72.519 31.468 36.508 1.00 7.06 ? 14 LEU B CD2 1 +ATOM 1984 N N . MET B 1 15 ? 68.467 34.253 33.950 1.00 6.85 ? 15 MET B N 1 +ATOM 1985 C CA . MET B 1 15 ? 67.077 34.333 33.534 1.00 7.05 ? 15 MET B CA 1 +ATOM 1986 C C . MET B 1 15 ? 66.685 33.533 32.303 1.00 6.75 ? 15 MET B C 1 +ATOM 1987 O O . MET B 1 15 ? 67.430 33.448 31.326 1.00 6.63 ? 15 MET B O 1 +ATOM 1988 C CB . MET B 1 15 ? 66.673 35.790 33.276 1.00 7.82 ? 15 MET B CB 1 +ATOM 1989 C CG . MET B 1 15 ? 66.179 36.562 34.492 1.00 8.60 ? 15 MET B CG 1 +ATOM 1990 S SD . MET B 1 15 ? 65.457 38.165 34.034 1.00 10.06 ? 15 MET B SD 1 +ATOM 1991 C CE . MET B 1 15 ? 63.871 37.642 33.376 1.00 9.39 ? 15 MET B CE 1 +ATOM 1992 N N . ASP B 1 16 ? 65.506 32.925 32.393 1.00 6.65 ? 16 ASP B N 1 +ATOM 1993 C CA . ASP B 1 16 ? 64.884 32.233 31.274 1.00 6.36 ? 16 ASP B CA 1 +ATOM 1994 C C . ASP B 1 16 ? 63.842 33.325 30.989 1.00 6.40 ? 16 ASP B C 1 +ATOM 1995 O O . ASP B 1 16 ? 62.757 33.330 31.584 1.00 6.33 ? 16 ASP B O 1 +ATOM 1996 C CB . ASP B 1 16 ? 64.179 30.940 31.719 1.00 6.23 ? 16 ASP B CB 1 +ATOM 1997 C CG . ASP B 1 16 ? 65.083 29.715 31.667 1.00 6.26 ? 16 ASP B CG 1 +ATOM 1998 O OD1 . ASP B 1 16 ? 66.318 29.865 31.560 1.00 6.56 ? 16 ASP B OD1 1 +ATOM 1999 O OD2 . ASP B 1 16 ? 64.545 28.586 31.747 1.00 6.31 ? 16 ASP B OD2 1 +ATOM 2000 N N . LEU B 1 17 ? 64.195 34.284 30.130 1.00 6.49 ? 17 LEU B N 1 +ATOM 2001 C CA . LEU B 1 17 ? 63.289 35.390 29.801 1.00 6.75 ? 17 LEU B CA 1 +ATOM 2002 C C . LEU B 1 17 ? 62.064 34.796 29.131 1.00 6.70 ? 17 LEU B C 1 +ATOM 2003 O O . LEU B 1 17 ? 62.146 34.241 28.037 1.00 6.28 ? 17 LEU B O 1 +ATOM 2004 C CB . LEU B 1 17 ? 63.980 36.396 28.881 1.00 7.17 ? 17 LEU B CB 1 +ATOM 2005 C CG . LEU B 1 17 ? 63.164 37.661 28.590 1.00 7.43 ? 17 LEU B CG 1 +ATOM 2006 C CD1 . LEU B 1 17 ? 62.817 38.386 29.887 1.00 8.29 ? 17 LEU B CD1 1 +ATOM 2007 C CD2 . LEU B 1 17 ? 63.965 38.571 27.672 1.00 7.81 ? 17 LEU B CD2 1 +ATOM 2008 N N . THR B 1 18 ? 60.921 34.959 29.781 1.00 6.82 ? 18 THR B N 1 +ATOM 2009 C CA . THR B 1 18 ? 59.689 34.332 29.333 1.00 7.08 ? 18 THR B CA 1 +ATOM 2010 C C . THR B 1 18 ? 58.506 35.135 28.809 1.00 7.39 ? 18 THR B C 1 +ATOM 2011 O O . THR B 1 18 ? 58.264 36.267 29.210 1.00 7.61 ? 18 THR B O 1 +ATOM 2012 C CB . THR B 1 18 ? 59.148 33.468 30.501 1.00 7.06 ? 18 THR B CB 1 +ATOM 2013 O OG1 . THR B 1 18 ? 60.194 32.613 30.972 1.00 7.17 ? 18 THR B OG1 1 +ATOM 2014 C CG2 . THR B 1 18 ? 57.944 32.630 30.075 1.00 7.29 ? 18 THR B CG2 1 +ATOM 2015 N N . THR B 1 19 ? 57.779 34.503 27.894 1.00 7.94 ? 19 THR B N 1 +ATOM 2016 C CA . THR B 1 19 ? 56.524 35.024 27.381 1.00 8.22 ? 19 THR B CA 1 +ATOM 2017 C C . THR B 1 19 ? 55.726 33.785 26.978 1.00 8.40 ? 19 THR B C 1 +ATOM 2018 O O . THR B 1 19 ? 56.134 33.009 26.112 1.00 8.09 ? 19 THR B O 1 +ATOM 2019 C CB . THR B 1 19 ? 56.666 36.017 26.195 1.00 8.35 ? 19 THR B CB 1 +ATOM 2020 O OG1 . THR B 1 19 ? 55.388 36.634 25.978 1.00 9.08 ? 19 THR B OG1 1 +ATOM 2021 C CG2 . THR B 1 19 ? 57.115 35.324 24.912 1.00 8.98 ? 19 THR B CG2 1 +ATOM 2022 N N . LEU B 1 20 ? 54.618 33.572 27.678 1.00 9.02 ? 20 LEU B N 1 +ATOM 2023 C CA . LEU B 1 20 ? 53.735 32.436 27.434 1.00 10.01 ? 20 LEU B CA 1 +ATOM 2024 C C . LEU B 1 20 ? 52.315 32.962 27.581 1.00 11.30 ? 20 LEU B C 1 +ATOM 2025 O O . LEU B 1 20 ? 51.581 32.571 28.486 1.00 11.90 ? 20 LEU B O 1 +ATOM 2026 C CB . LEU B 1 20 ? 53.996 31.324 28.459 1.00 9.12 ? 20 LEU B CB 1 +ATOM 2027 C CG . LEU B 1 20 ? 55.384 30.669 28.429 1.00 8.40 ? 20 LEU B CG 1 +ATOM 2028 C CD1 . LEU B 1 20 ? 55.569 29.801 29.672 1.00 8.37 ? 20 LEU B CD1 1 +ATOM 2029 C CD2 . LEU B 1 20 ? 55.552 29.840 27.157 1.00 8.38 ? 20 LEU B CD2 1 +ATOM 2030 N N . ASN B 1 21 ? 51.941 33.865 26.685 1.00 12.64 ? 21 ASN B N 1 +ATOM 2031 C CA . ASN B 1 21 ? 50.619 34.469 26.718 1.00 14.08 ? 21 ASN B CA 1 +ATOM 2032 C C . ASN B 1 21 ? 49.778 34.007 25.538 1.00 14.71 ? 21 ASN B C 1 +ATOM 2033 O O . ASN B 1 21 ? 50.306 33.657 24.480 1.00 14.73 ? 21 ASN B O 1 +ATOM 2034 C CB . ASN B 1 21 ? 50.742 35.995 26.701 1.00 14.87 ? 21 ASN B CB 1 +ATOM 2035 C CG . ASN B 1 21 ? 51.432 36.546 27.940 1.00 15.62 ? 21 ASN B CG 1 +ATOM 2036 O OD1 . ASN B 1 21 ? 51.687 37.747 28.033 1.00 16.85 ? 21 ASN B OD1 1 +ATOM 2037 N ND2 . ASN B 1 21 ? 51.733 35.675 28.898 1.00 16.15 ? 21 ASN B ND2 1 +ATOM 2038 N N . ASP B 1 22 ? 48.464 34.006 25.722 1.00 15.50 ? 22 ASP B N 1 +ATOM 2039 C CA . ASP B 1 22 ? 47.562 33.587 24.661 1.00 16.27 ? 22 ASP B CA 1 +ATOM 2040 C C . ASP B 1 22 ? 47.623 34.525 23.458 1.00 16.24 ? 22 ASP B C 1 +ATOM 2041 O O . ASP B 1 22 ? 47.219 34.153 22.360 1.00 16.58 ? 22 ASP B O 1 +ATOM 2042 C CB . ASP B 1 22 ? 46.123 33.510 25.183 1.00 17.16 ? 22 ASP B CB 1 +ATOM 2043 C CG . ASP B 1 22 ? 45.901 32.332 26.113 1.00 17.84 ? 22 ASP B CG 1 +ATOM 2044 O OD1 . ASP B 1 22 ? 46.354 31.217 25.776 1.00 18.72 ? 22 ASP B OD1 1 +ATOM 2045 O OD2 . ASP B 1 22 ? 45.262 32.515 27.172 1.00 18.81 ? 22 ASP B OD2 1 +ATOM 2046 N N . ASP B 1 23 ? 48.145 35.730 23.664 1.00 16.06 ? 23 ASP B N 1 +ATOM 2047 C CA . ASP B 1 23 ? 48.238 36.710 22.588 1.00 15.82 ? 23 ASP B CA 1 +ATOM 2048 C C . ASP B 1 23 ? 49.634 36.818 21.976 1.00 15.03 ? 23 ASP B C 1 +ATOM 2049 O O . ASP B 1 23 ? 49.928 37.772 21.255 1.00 15.17 ? 23 ASP B O 1 +ATOM 2050 C CB . ASP B 1 23 ? 47.785 38.082 23.100 1.00 16.81 ? 23 ASP B CB 1 +ATOM 2051 C CG . ASP B 1 23 ? 48.784 38.714 24.053 1.00 17.66 ? 23 ASP B CG 1 +ATOM 2052 O OD1 . ASP B 1 23 ? 49.379 37.986 24.876 1.00 18.38 ? 23 ASP B OD1 1 +ATOM 2053 O OD2 . ASP B 1 23 ? 48.965 39.949 23.986 1.00 18.43 ? 23 ASP B OD2 1 +ATOM 2054 N N . ASP B 1 24 ? 50.494 35.842 22.255 1.00 13.95 ? 24 ASP B N 1 +ATOM 2055 C CA . ASP B 1 24 ? 51.845 35.867 21.706 1.00 12.67 ? 24 ASP B CA 1 +ATOM 2056 C C . ASP B 1 24 ? 51.839 35.805 20.185 1.00 11.85 ? 24 ASP B C 1 +ATOM 2057 O O . ASP B 1 24 ? 50.973 35.172 19.576 1.00 11.65 ? 24 ASP B O 1 +ATOM 2058 C CB . ASP B 1 24 ? 52.684 34.703 22.243 1.00 12.83 ? 24 ASP B CB 1 +ATOM 2059 C CG . ASP B 1 24 ? 53.147 34.920 23.670 1.00 13.02 ? 24 ASP B CG 1 +ATOM 2060 O OD1 . ASP B 1 24 ? 53.180 36.083 24.123 1.00 13.40 ? 24 ASP B OD1 1 +ATOM 2061 O OD2 . ASP B 1 24 ? 53.494 33.920 24.330 1.00 13.19 ? 24 ASP B OD2 1 +ATOM 2062 N N . THR B 1 25 ? 52.821 36.465 19.582 1.00 11.02 ? 25 THR B N 1 +ATOM 2063 C CA . THR B 1 25 ? 52.973 36.496 18.132 1.00 10.26 ? 25 THR B CA 1 +ATOM 2064 C C . THR B 1 25 ? 54.459 36.415 17.813 1.00 10.00 ? 25 THR B C 1 +ATOM 2065 O O . THR B 1 25 ? 55.296 36.573 18.705 1.00 9.62 ? 25 THR B O 1 +ATOM 2066 C CB . THR B 1 25 ? 52.437 37.808 17.539 1.00 10.09 ? 25 THR B CB 1 +ATOM 2067 O OG1 . THR B 1 25 ? 53.223 38.905 18.021 1.00 10.21 ? 25 THR B OG1 1 +ATOM 2068 C CG2 . THR B 1 25 ? 50.989 38.015 17.937 1.00 10.45 ? 25 THR B CG2 1 +ATOM 2069 N N . ASP B 1 26 ? 54.785 36.162 16.549 1.00 9.95 ? 26 ASP B N 1 +ATOM 2070 C CA . ASP B 1 26 ? 56.180 36.090 16.131 1.00 10.00 ? 26 ASP B CA 1 +ATOM 2071 C C . ASP B 1 26 ? 56.853 37.419 16.457 1.00 10.05 ? 26 ASP B C 1 +ATOM 2072 O O . ASP B 1 26 ? 57.985 37.454 16.928 1.00 9.72 ? 26 ASP B O 1 +ATOM 2073 C CB . ASP B 1 26 ? 56.293 35.836 14.620 1.00 10.33 ? 26 ASP B CB 1 +ATOM 2074 C CG . ASP B 1 26 ? 55.790 34.464 14.208 1.00 10.85 ? 26 ASP B CG 1 +ATOM 2075 O OD1 . ASP B 1 26 ? 55.725 33.558 15.065 1.00 11.08 ? 26 ASP B OD1 1 +ATOM 2076 O OD2 . ASP B 1 26 ? 55.476 34.288 13.010 1.00 11.15 ? 26 ASP B OD2 1 +ATOM 2077 N N . GLU B 1 27 ? 56.140 38.513 16.206 1.00 10.23 ? 27 GLU B N 1 +ATOM 2078 C CA . GLU B 1 27 ? 56.667 39.848 16.455 1.00 10.72 ? 27 GLU B CA 1 +ATOM 2079 C C . GLU B 1 27 ? 57.025 40.049 17.926 1.00 10.23 ? 27 GLU B C 1 +ATOM 2080 O O . GLU B 1 27 ? 58.069 40.613 18.247 1.00 10.12 ? 27 GLU B O 1 +ATOM 2081 C CB . GLU B 1 27 ? 55.645 40.900 16.012 1.00 11.91 ? 27 GLU B CB 1 +ATOM 2082 C CG . GLU B 1 27 ? 55.297 40.849 14.527 1.00 14.16 ? 27 GLU B CG 1 +ATOM 2083 C CD . GLU B 1 27 ? 54.665 39.527 14.107 1.00 15.08 ? 27 GLU B CD 1 +ATOM 2084 O OE1 . GLU B 1 27 ? 53.579 39.190 14.623 1.00 15.63 ? 27 GLU B OE1 1 +ATOM 2085 O OE2 . GLU B 1 27 ? 55.254 38.822 13.258 1.00 16.46 ? 27 GLU B OE2 1 +ATOM 2086 N N . LYS B 1 28 ? 56.159 39.583 18.817 1.00 9.79 ? 28 LYS B N 1 +ATOM 2087 C CA . LYS B 1 28 ? 56.406 39.717 20.246 1.00 9.73 ? 28 LYS B CA 1 +ATOM 2088 C C . LYS B 1 28 ? 57.589 38.863 20.698 1.00 9.06 ? 28 LYS B C 1 +ATOM 2089 O O . LYS B 1 28 ? 58.358 39.262 21.575 1.00 8.91 ? 28 LYS B O 1 +ATOM 2090 C CB . LYS B 1 28 ? 55.146 39.347 21.028 1.00 10.53 ? 28 LYS B CB 1 +ATOM 2091 C CG . LYS B 1 28 ? 54.021 40.347 20.829 1.00 12.03 ? 28 LYS B CG 1 +ATOM 2092 C CD . LYS B 1 28 ? 52.748 39.949 21.550 1.00 13.15 ? 28 LYS B CD 1 +ATOM 2093 C CE . LYS B 1 28 ? 51.679 41.011 21.351 1.00 13.75 ? 28 LYS B CE 1 +ATOM 2094 N NZ . LYS B 1 28 ? 50.382 40.627 21.963 1.00 14.72 ? 28 LYS B NZ 1 +ATOM 2095 N N . VAL B 1 29 ? 57.743 37.688 20.098 1.00 8.46 ? 29 VAL B N 1 +ATOM 2096 C CA . VAL B 1 29 ? 58.856 36.822 20.457 1.00 8.05 ? 29 VAL B CA 1 +ATOM 2097 C C . VAL B 1 29 ? 60.147 37.432 19.920 1.00 7.90 ? 29 VAL B C 1 +ATOM 2098 O O . VAL B 1 29 ? 61.183 37.395 20.583 1.00 7.44 ? 29 VAL B O 1 +ATOM 2099 C CB . VAL B 1 29 ? 58.641 35.393 19.911 1.00 7.89 ? 29 VAL B CB 1 +ATOM 2100 C CG1 . VAL B 1 29 ? 59.924 34.583 20.029 1.00 7.90 ? 29 VAL B CG1 1 +ATOM 2101 C CG2 . VAL B 1 29 ? 57.528 34.712 20.703 1.00 7.86 ? 29 VAL B CG2 1 +ATOM 2102 N N . ILE B 1 30 ? 60.087 38.006 18.723 1.00 7.89 ? 30 ILE B N 1 +ATOM 2103 C CA . ILE B 1 30 ? 61.265 38.644 18.154 1.00 7.93 ? 30 ILE B CA 1 +ATOM 2104 C C . ILE B 1 30 ? 61.716 39.752 19.106 1.00 7.89 ? 30 ILE B C 1 +ATOM 2105 O O . ILE B 1 30 ? 62.907 39.900 19.374 1.00 7.66 ? 30 ILE B O 1 +ATOM 2106 C CB . ILE B 1 30 ? 60.961 39.224 16.751 1.00 7.90 ? 30 ILE B CB 1 +ATOM 2107 C CG1 . ILE B 1 30 ? 60.899 38.076 15.734 1.00 8.14 ? 30 ILE B CG1 1 +ATOM 2108 C CG2 . ILE B 1 30 ? 62.025 40.248 16.353 1.00 8.14 ? 30 ILE B CG2 1 +ATOM 2109 C CD1 . ILE B 1 30 ? 60.394 38.471 14.356 1.00 8.44 ? 30 ILE B CD1 1 +ATOM 2110 N N . ALA B 1 31 ? 60.758 40.509 19.634 1.00 7.93 ? 31 ALA B N 1 +ATOM 2111 C CA . ALA B 1 31 ? 61.062 41.586 20.571 1.00 8.03 ? 31 ALA B CA 1 +ATOM 2112 C C . ALA B 1 31 ? 61.661 41.021 21.861 1.00 8.00 ? 31 ALA B C 1 +ATOM 2113 O O . ALA B 1 31 ? 62.538 41.638 22.470 1.00 8.21 ? 31 ALA B O 1 +ATOM 2114 C CB . ALA B 1 31 ? 59.801 42.387 20.881 1.00 8.24 ? 31 ALA B CB 1 +ATOM 2115 N N . LEU B 1 32 ? 61.187 39.848 22.275 1.00 7.89 ? 32 LEU B N 1 +ATOM 2116 C CA . LEU B 1 32 ? 61.695 39.210 23.488 1.00 7.87 ? 32 LEU B CA 1 +ATOM 2117 C C . LEU B 1 32 ? 63.166 38.844 23.303 1.00 7.67 ? 32 LEU B C 1 +ATOM 2118 O O . LEU B 1 32 ? 63.974 38.996 24.216 1.00 7.62 ? 32 LEU B O 1 +ATOM 2119 C CB . LEU B 1 32 ? 60.896 37.941 23.807 1.00 8.12 ? 32 LEU B CB 1 +ATOM 2120 C CG . LEU B 1 32 ? 61.182 37.294 25.166 1.00 8.62 ? 32 LEU B CG 1 +ATOM 2121 C CD1 . LEU B 1 32 ? 60.424 38.054 26.246 1.00 9.28 ? 32 LEU B CD1 1 +ATOM 2122 C CD2 . LEU B 1 32 ? 60.749 35.832 25.155 1.00 9.13 ? 32 LEU B CD2 1 +ATOM 2123 N N . CYS B 1 33 ? 63.508 38.355 22.114 1.00 7.52 ? 33 CYS B N 1 +ATOM 2124 C CA . CYS B 1 33 ? 64.886 37.980 21.814 1.00 7.61 ? 33 CYS B CA 1 +ATOM 2125 C C . CYS B 1 33 ? 65.802 39.195 21.907 1.00 7.82 ? 33 CYS B C 1 +ATOM 2126 O O . CYS B 1 33 ? 66.931 39.105 22.392 1.00 7.51 ? 33 CYS B O 1 +ATOM 2127 C CB . CYS B 1 33 ? 64.976 37.360 20.416 1.00 7.64 ? 33 CYS B CB 1 +ATOM 2128 S SG . CYS B 1 33 ? 64.191 35.734 20.253 1.00 7.67 ? 33 CYS B SG 1 +ATOM 2129 N N . HIS B 1 34 ? 65.315 40.337 21.437 1.00 8.07 ? 34 HIS B N 1 +ATOM 2130 C CA . HIS B 1 34 ? 66.098 41.568 21.492 1.00 8.67 ? 34 HIS B CA 1 +ATOM 2131 C C . HIS B 1 34 ? 66.303 41.985 22.944 1.00 8.96 ? 34 HIS B C 1 +ATOM 2132 O O . HIS B 1 34 ? 67.362 42.486 23.317 1.00 8.96 ? 34 HIS B O 1 +ATOM 2133 C CB . HIS B 1 34 ? 65.376 42.680 20.733 1.00 9.17 ? 34 HIS B CB 1 +ATOM 2134 C CG . HIS B 1 34 ? 65.259 42.428 19.262 1.00 9.76 ? 34 HIS B CG 1 +ATOM 2135 N ND1 . HIS B 1 34 ? 64.342 43.080 18.467 1.00 10.34 ? 34 HIS B ND1 1 +ATOM 2136 C CD2 . HIS B 1 34 ? 65.955 41.607 18.441 1.00 9.88 ? 34 HIS B CD2 1 +ATOM 2137 C CE1 . HIS B 1 34 ? 64.477 42.670 17.218 1.00 10.27 ? 34 HIS B CE1 1 +ATOM 2138 N NE2 . HIS B 1 34 ? 65.449 41.777 17.174 1.00 10.48 ? 34 HIS B NE2 1 +ATOM 2139 N N . GLN B 1 35 ? 65.277 41.772 23.759 1.00 9.15 ? 35 GLN B N 1 +ATOM 2140 C CA . GLN B 1 35 ? 65.325 42.114 25.176 1.00 9.59 ? 35 GLN B CA 1 +ATOM 2141 C C . GLN B 1 35 ? 66.331 41.249 25.929 1.00 9.14 ? 35 GLN B C 1 +ATOM 2142 O O . GLN B 1 35 ? 66.968 41.708 26.879 1.00 8.97 ? 35 GLN B O 1 +ATOM 2143 C CB . GLN B 1 35 ? 63.938 41.937 25.797 1.00 10.80 ? 35 GLN B CB 1 +ATOM 2144 C CG . GLN B 1 35 ? 62.899 42.926 25.304 1.00 13.22 ? 35 GLN B CG 1 +ATOM 2145 C CD . GLN B 1 35 ? 61.484 42.519 25.680 1.00 14.29 ? 35 GLN B CD 1 +ATOM 2146 O OE1 . GLN B 1 35 ? 61.210 42.167 26.828 1.00 15.62 ? 35 GLN B OE1 1 +ATOM 2147 N NE2 . GLN B 1 35 ? 60.576 42.569 24.709 1.00 15.47 ? 35 GLN B NE2 1 +ATOM 2148 N N . ALA B 1 36 ? 66.470 39.997 25.503 1.00 8.47 ? 36 ALA B N 1 +ATOM 2149 C CA . ALA B 1 36 ? 67.388 39.063 26.145 1.00 8.31 ? 36 ALA B CA 1 +ATOM 2150 C C . ALA B 1 36 ? 68.841 39.512 26.028 1.00 8.41 ? 36 ALA B C 1 +ATOM 2151 O O . ALA B 1 36 ? 69.690 39.118 26.826 1.00 8.16 ? 36 ALA B O 1 +ATOM 2152 C CB . ALA B 1 36 ? 67.214 37.675 25.545 1.00 8.01 ? 36 ALA B CB 1 +ATOM 2153 N N . LYS B 1 37 ? 69.122 40.330 25.020 1.00 8.42 ? 37 LYS B N 1 +ATOM 2154 C CA . LYS B 1 37 ? 70.462 40.860 24.801 1.00 8.72 ? 37 LYS B CA 1 +ATOM 2155 C C . LYS B 1 37 ? 70.463 42.227 25.488 1.00 9.19 ? 37 LYS B C 1 +ATOM 2156 O O . LYS B 1 37 ? 70.171 43.244 24.862 1.00 9.22 ? 37 LYS B O 1 +ATOM 2157 C CB . LYS B 1 37 ? 70.712 41.003 23.296 1.00 8.44 ? 37 LYS B CB 1 +ATOM 2158 C CG . LYS B 1 37 ? 72.098 41.493 22.918 1.00 8.42 ? 37 LYS B CG 1 +ATOM 2159 C CD . LYS B 1 37 ? 72.243 41.560 21.407 1.00 8.39 ? 37 LYS B CD 1 +ATOM 2160 C CE . LYS B 1 37 ? 73.643 41.998 21.011 1.00 8.46 ? 37 LYS B CE 1 +ATOM 2161 N NZ . LYS B 1 37 ? 73.759 42.181 19.541 1.00 8.33 ? 37 LYS B NZ 1 +ATOM 2162 N N . THR B 1 38 ? 70.777 42.240 26.782 1.00 9.91 ? 38 THR B N 1 +ATOM 2163 C CA . THR B 1 38 ? 70.762 43.479 27.563 1.00 10.64 ? 38 THR B CA 1 +ATOM 2164 C C . THR B 1 38 ? 72.078 44.252 27.554 1.00 11.13 ? 38 THR B C 1 +ATOM 2165 O O . THR B 1 38 ? 73.119 43.729 27.156 1.00 10.99 ? 38 THR B O 1 +ATOM 2166 C CB . THR B 1 38 ? 70.372 43.208 29.040 1.00 10.81 ? 38 THR B CB 1 +ATOM 2167 O OG1 . THR B 1 38 ? 71.553 42.980 29.821 1.00 10.68 ? 38 THR B OG1 1 +ATOM 2168 C CG2 . THR B 1 38 ? 69.464 41.988 29.136 1.00 10.97 ? 38 THR B CG2 1 +ATOM 2169 N N . PRO B 1 39 ? 72.044 45.519 28.001 1.00 11.80 ? 39 PRO B N 1 +ATOM 2170 C CA . PRO B 1 39 ? 73.244 46.360 28.039 1.00 12.15 ? 39 PRO B CA 1 +ATOM 2171 C C . PRO B 1 39 ? 74.334 45.877 28.995 1.00 12.25 ? 39 PRO B C 1 +ATOM 2172 O O . PRO B 1 39 ? 75.472 46.337 28.917 1.00 12.69 ? 39 PRO B O 1 +ATOM 2173 C CB . PRO B 1 39 ? 72.699 47.727 28.452 1.00 12.34 ? 39 PRO B CB 1 +ATOM 2174 C CG . PRO B 1 39 ? 71.296 47.709 27.933 1.00 12.44 ? 39 PRO B CG 1 +ATOM 2175 C CD . PRO B 1 39 ? 70.842 46.317 28.295 1.00 12.07 ? 39 PRO B CD 1 +ATOM 2176 N N . VAL B 1 40 ? 73.989 44.959 29.896 1.00 12.11 ? 40 VAL B N 1 +ATOM 2177 C CA . VAL B 1 40 ? 74.959 44.447 30.863 1.00 11.82 ? 40 VAL B CA 1 +ATOM 2178 C C . VAL B 1 40 ? 75.243 42.958 30.702 1.00 11.44 ? 40 VAL B C 1 +ATOM 2179 O O . VAL B 1 40 ? 75.942 42.361 31.522 1.00 11.45 ? 40 VAL B O 1 +ATOM 2180 C CB . VAL B 1 40 ? 74.485 44.684 32.314 1.00 12.06 ? 40 VAL B CB 1 +ATOM 2181 C CG1 . VAL B 1 40 ? 74.197 46.158 32.530 1.00 12.50 ? 40 VAL B CG1 1 +ATOM 2182 C CG2 . VAL B 1 40 ? 73.246 43.842 32.602 1.00 12.09 ? 40 VAL B CG2 1 +ATOM 2183 N N . GLY B 1 41 ? 74.699 42.360 29.648 1.00 10.86 ? 41 GLY B N 1 +ATOM 2184 C CA . GLY B 1 41 ? 74.918 40.945 29.418 1.00 10.32 ? 41 GLY B CA 1 +ATOM 2185 C C . GLY B 1 41 ? 73.673 40.262 28.894 1.00 9.90 ? 41 GLY B C 1 +ATOM 2186 O O . GLY B 1 41 ? 72.610 40.875 28.804 1.00 10.07 ? 41 GLY B O 1 +ATOM 2187 N N . ASN B 1 42 ? 73.803 38.985 28.555 1.00 9.61 ? 42 ASN B N 1 +ATOM 2188 C CA . ASN B 1 42 ? 72.679 38.225 28.029 1.00 9.13 ? 42 ASN B CA 1 +ATOM 2189 C C . ASN B 1 42 ? 72.036 37.348 29.089 1.00 8.72 ? 42 ASN B C 1 +ATOM 2190 O O . ASN B 1 42 ? 72.692 36.912 30.034 1.00 8.70 ? 42 ASN B O 1 +ATOM 2191 C CB . ASN B 1 42 ? 73.133 37.336 26.870 1.00 9.66 ? 42 ASN B CB 1 +ATOM 2192 C CG . ASN B 1 42 ? 73.776 38.122 25.747 1.00 10.05 ? 42 ASN B CG 1 +ATOM 2193 O OD1 . ASN B 1 42 ? 73.323 39.211 25.396 1.00 10.80 ? 42 ASN B OD1 1 +ATOM 2194 N ND2 . ASN B 1 42 ? 74.828 37.561 25.163 1.00 10.74 ? 42 ASN B ND2 1 +ATOM 2195 N N . THR B 1 43 ? 70.741 37.104 28.939 1.00 8.07 ? 43 THR B N 1 +ATOM 2196 C CA . THR B 1 43 ? 70.050 36.228 29.870 1.00 7.62 ? 43 THR B CA 1 +ATOM 2197 C C . THR B 1 43 ? 70.526 34.824 29.506 1.00 7.23 ? 43 THR B C 1 +ATOM 2198 O O . THR B 1 43 ? 71.135 34.623 28.450 1.00 7.47 ? 43 THR B O 1 +ATOM 2199 C CB . THR B 1 43 ? 68.514 36.309 29.707 1.00 7.43 ? 43 THR B CB 1 +ATOM 2200 O OG1 . THR B 1 43 ? 68.150 35.962 28.365 1.00 7.52 ? 43 THR B OG1 1 +ATOM 2201 C CG2 . THR B 1 43 ? 68.015 37.713 30.007 1.00 7.47 ? 43 THR B CG2 1 +ATOM 2202 N N . ALA B 1 44 ? 70.264 33.858 30.378 1.00 6.75 ? 44 ALA B N 1 +ATOM 2203 C CA . ALA B 1 44 ? 70.680 32.484 30.120 1.00 6.35 ? 44 ALA B CA 1 +ATOM 2204 C C . ALA B 1 44 ? 69.896 31.898 28.959 1.00 6.12 ? 44 ALA B C 1 +ATOM 2205 O O . ALA B 1 44 ? 70.426 31.123 28.166 1.00 6.17 ? 44 ALA B O 1 +ATOM 2206 C CB . ALA B 1 44 ? 70.466 31.629 31.363 1.00 6.39 ? 44 ALA B CB 1 +ATOM 2207 N N . ALA B 1 45 ? 68.630 32.283 28.860 1.00 5.94 ? 45 ALA B N 1 +ATOM 2208 C CA . ALA B 1 45 ? 67.782 31.746 27.813 1.00 6.10 ? 45 ALA B CA 1 +ATOM 2209 C C . ALA B 1 45 ? 66.490 32.535 27.693 1.00 6.01 ? 45 ALA B C 1 +ATOM 2210 O O . ALA B 1 45 ? 66.298 33.561 28.344 1.00 5.88 ? 45 ALA B O 1 +ATOM 2211 C CB . ALA B 1 45 ? 67.456 30.287 28.143 1.00 6.85 ? 45 ALA B CB 1 +ATOM 2212 N N . ILE B 1 46 ? 65.625 32.057 26.807 1.00 5.96 ? 46 ILE B N 1 +ATOM 2213 C CA . ILE B 1 46 ? 64.291 32.610 26.644 1.00 6.02 ? 46 ILE B CA 1 +ATOM 2214 C C . ILE B 1 46 ? 63.398 31.382 26.807 1.00 5.84 ? 46 ILE B C 1 +ATOM 2215 O O . ILE B 1 46 ? 63.859 30.248 26.634 1.00 6.09 ? 46 ILE B O 1 +ATOM 2216 C CB . ILE B 1 46 ? 64.039 33.248 25.243 1.00 6.09 ? 46 ILE B CB 1 +ATOM 2217 C CG1 . ILE B 1 46 ? 64.251 32.224 24.128 1.00 6.48 ? 46 ILE B CG1 1 +ATOM 2218 C CG2 . ILE B 1 46 ? 64.917 34.476 25.070 1.00 6.39 ? 46 ILE B CG2 1 +ATOM 2219 C CD1 . ILE B 1 46 ? 63.847 32.742 22.751 1.00 6.88 ? 46 ILE B CD1 1 +ATOM 2220 N N . CYS B 1 47 ? 62.143 31.597 27.183 1.00 5.68 ? 47 CYS B N 1 +ATOM 2221 C CA . CYS B 1 47 ? 61.199 30.497 27.339 1.00 5.58 ? 47 CYS B CA 1 +ATOM 2222 C C . CYS B 1 47 ? 59.939 30.938 26.619 1.00 5.43 ? 47 CYS B C 1 +ATOM 2223 O O . CYS B 1 47 ? 59.315 31.931 26.992 1.00 5.36 ? 47 CYS B O 1 +ATOM 2224 C CB . CYS B 1 47 ? 60.899 30.221 28.814 1.00 5.77 ? 47 CYS B CB 1 +ATOM 2225 S SG . CYS B 1 47 ? 59.874 28.744 29.060 1.00 6.89 ? 47 CYS B SG 1 +ATOM 2226 N N . ILE B 1 48 ? 59.579 30.189 25.583 1.00 5.17 ? 48 ILE B N 1 +ATOM 2227 C CA . ILE B 1 48 ? 58.433 30.514 24.741 1.00 5.08 ? 48 ILE B CA 1 +ATOM 2228 C C . ILE B 1 48 ? 57.665 29.259 24.342 1.00 4.86 ? 48 ILE B C 1 +ATOM 2229 O O . ILE B 1 48 ? 58.122 28.144 24.579 1.00 4.91 ? 48 ILE B O 1 +ATOM 2230 C CB . ILE B 1 48 ? 58.927 31.201 23.451 1.00 5.54 ? 48 ILE B CB 1 +ATOM 2231 C CG1 . ILE B 1 48 ? 59.984 30.312 22.783 1.00 5.82 ? 48 ILE B CG1 1 +ATOM 2232 C CG2 . ILE B 1 48 ? 59.525 32.567 23.775 1.00 5.83 ? 48 ILE B CG2 1 +ATOM 2233 C CD1 . ILE B 1 48 ? 60.544 30.858 21.484 1.00 6.31 ? 48 ILE B CD1 1 +ATOM 2234 N N . TYR B 1 49 ? 56.498 29.440 23.731 1.00 4.81 ? 49 TYR B N 1 +ATOM 2235 C CA . TYR B 1 49 ? 55.724 28.292 23.276 1.00 4.86 ? 49 TYR B CA 1 +ATOM 2236 C C . TYR B 1 49 ? 56.480 27.666 22.100 1.00 4.94 ? 49 TYR B C 1 +ATOM 2237 O O . TYR B 1 49 ? 57.158 28.360 21.339 1.00 4.54 ? 49 TYR B O 1 +ATOM 2238 C CB . TYR B 1 49 ? 54.309 28.713 22.862 1.00 5.18 ? 49 TYR B CB 1 +ATOM 2239 C CG . TYR B 1 49 ? 53.361 28.897 24.032 1.00 5.36 ? 49 TYR B CG 1 +ATOM 2240 C CD1 . TYR B 1 49 ? 53.123 27.856 24.932 1.00 5.91 ? 49 TYR B CD1 1 +ATOM 2241 C CD2 . TYR B 1 49 ? 52.692 30.104 24.233 1.00 6.01 ? 49 TYR B CD2 1 +ATOM 2242 C CE1 . TYR B 1 49 ? 52.242 28.012 25.998 1.00 6.09 ? 49 TYR B CE1 1 +ATOM 2243 C CE2 . TYR B 1 49 ? 51.808 30.268 25.298 1.00 6.12 ? 49 TYR B CE2 1 +ATOM 2244 C CZ . TYR B 1 49 ? 51.588 29.218 26.174 1.00 6.53 ? 49 TYR B CZ 1 +ATOM 2245 O OH . TYR B 1 49 ? 50.711 29.371 27.225 1.00 7.94 ? 49 TYR B OH 1 +ATOM 2246 N N . PRO B 1 50 ? 56.367 26.341 21.935 1.00 4.83 ? 50 PRO B N 1 +ATOM 2247 C CA . PRO B 1 50 ? 57.053 25.618 20.861 1.00 4.98 ? 50 PRO B CA 1 +ATOM 2248 C C . PRO B 1 50 ? 57.013 26.211 19.454 1.00 4.88 ? 50 PRO B C 1 +ATOM 2249 O O . PRO B 1 50 ? 58.036 26.237 18.767 1.00 4.78 ? 50 PRO B O 1 +ATOM 2250 C CB . PRO B 1 50 ? 56.408 24.236 20.909 1.00 5.14 ? 50 PRO B CB 1 +ATOM 2251 C CG . PRO B 1 50 ? 56.064 24.070 22.353 1.00 5.38 ? 50 PRO B CG 1 +ATOM 2252 C CD . PRO B 1 50 ? 55.519 25.429 22.726 1.00 4.84 ? 50 PRO B CD 1 +ATOM 2253 N N . ARG B 1 51 ? 55.849 26.688 19.026 1.00 4.99 ? 51 ARG B N 1 +ATOM 2254 C CA . ARG B 1 51 ? 55.713 27.219 17.671 1.00 5.13 ? 51 ARG B CA 1 +ATOM 2255 C C . ARG B 1 51 ? 56.581 28.424 17.340 1.00 5.15 ? 51 ARG B C 1 +ATOM 2256 O O . ARG B 1 51 ? 56.794 28.729 16.166 1.00 5.52 ? 51 ARG B O 1 +ATOM 2257 C CB . ARG B 1 51 ? 54.250 27.554 17.380 1.00 5.20 ? 51 ARG B CB 1 +ATOM 2258 C CG . ARG B 1 51 ? 53.655 28.667 18.226 1.00 6.00 ? 51 ARG B CG 1 +ATOM 2259 C CD . ARG B 1 51 ? 52.161 28.750 17.939 1.00 6.37 ? 51 ARG B CD 1 +ATOM 2260 N NE . ARG B 1 51 ? 51.465 29.812 18.664 1.00 7.06 ? 51 ARG B NE 1 +ATOM 2261 C CZ . ARG B 1 51 ? 51.108 29.755 19.944 1.00 7.11 ? 51 ARG B CZ 1 +ATOM 2262 N NH1 . ARG B 1 51 ? 51.380 28.682 20.680 1.00 7.43 ? 51 ARG B NH1 1 +ATOM 2263 N NH2 . ARG B 1 51 ? 50.444 30.771 20.482 1.00 8.07 ? 51 ARG B NH2 1 +ATOM 2264 N N . PHE B 1 52 ? 57.091 29.101 18.361 1.00 4.94 ? 52 PHE B N 1 +ATOM 2265 C CA . PHE B 1 52 ? 57.923 30.278 18.144 1.00 5.23 ? 52 PHE B CA 1 +ATOM 2266 C C . PHE B 1 52 ? 59.415 29.970 18.156 1.00 5.27 ? 52 PHE B C 1 +ATOM 2267 O O . PHE B 1 52 ? 60.237 30.856 17.932 1.00 5.62 ? 52 PHE B O 1 +ATOM 2268 C CB . PHE B 1 52 ? 57.609 31.330 19.206 1.00 5.13 ? 52 PHE B CB 1 +ATOM 2269 C CG . PHE B 1 52 ? 56.179 31.785 19.199 1.00 4.92 ? 52 PHE B CG 1 +ATOM 2270 C CD1 . PHE B 1 52 ? 55.652 32.450 18.094 1.00 5.41 ? 52 PHE B CD1 1 +ATOM 2271 C CD2 . PHE B 1 52 ? 55.358 31.553 20.296 1.00 5.09 ? 52 PHE B CD2 1 +ATOM 2272 C CE1 . PHE B 1 52 ? 54.325 32.878 18.084 1.00 5.42 ? 52 PHE B CE1 1 +ATOM 2273 C CE2 . PHE B 1 52 ? 54.030 31.978 20.297 1.00 5.38 ? 52 PHE B CE2 1 +ATOM 2274 C CZ . PHE B 1 52 ? 53.514 32.643 19.186 1.00 5.37 ? 52 PHE B CZ 1 +ATOM 2275 N N . ILE B 1 53 ? 59.771 28.712 18.387 1.00 5.35 ? 53 ILE B N 1 +ATOM 2276 C CA . ILE B 1 53 ? 61.181 28.343 18.451 1.00 5.28 ? 53 ILE B CA 1 +ATOM 2277 C C . ILE B 1 53 ? 62.016 28.620 17.188 1.00 5.38 ? 53 ILE B C 1 +ATOM 2278 O O . ILE B 1 53 ? 63.084 29.223 17.276 1.00 5.48 ? 53 ILE B O 1 +ATOM 2279 C CB . ILE B 1 53 ? 61.341 26.856 18.862 1.00 5.34 ? 53 ILE B CB 1 +ATOM 2280 C CG1 . ILE B 1 53 ? 60.848 26.671 20.301 1.00 5.23 ? 53 ILE B CG1 1 +ATOM 2281 C CG2 . ILE B 1 53 ? 62.802 26.422 18.735 1.00 5.57 ? 53 ILE B CG2 1 +ATOM 2282 C CD1 . ILE B 1 53 ? 60.809 25.229 20.757 1.00 5.32 ? 53 ILE B CD1 1 +ATOM 2283 N N . PRO B 1 54 ? 61.545 28.198 15.999 1.00 5.42 ? 54 PRO B N 1 +ATOM 2284 C CA . PRO B 1 54 ? 62.336 28.449 14.787 1.00 5.57 ? 54 PRO B CA 1 +ATOM 2285 C C . PRO B 1 54 ? 62.682 29.915 14.527 1.00 5.63 ? 54 PRO B C 1 +ATOM 2286 O O . PRO B 1 54 ? 63.840 30.246 14.252 1.00 5.52 ? 54 PRO B O 1 +ATOM 2287 C CB . PRO B 1 54 ? 61.468 27.858 13.677 1.00 5.55 ? 54 PRO B CB 1 +ATOM 2288 C CG . PRO B 1 54 ? 60.718 26.761 14.386 1.00 5.78 ? 54 PRO B CG 1 +ATOM 2289 C CD . PRO B 1 54 ? 60.332 27.427 15.679 1.00 5.63 ? 54 PRO B CD 1 +ATOM 2290 N N . ILE B 1 55 ? 61.688 30.794 14.604 1.00 5.64 ? 55 ILE B N 1 +ATOM 2291 C CA . ILE B 1 55 ? 61.942 32.209 14.369 1.00 6.05 ? 55 ILE B CA 1 +ATOM 2292 C C . ILE B 1 55 ? 62.796 32.812 15.487 1.00 5.86 ? 55 ILE B C 1 +ATOM 2293 O O . ILE B 1 55 ? 63.615 33.702 15.244 1.00 5.82 ? 55 ILE B O 1 +ATOM 2294 C CB . ILE B 1 55 ? 60.614 33.007 14.204 1.00 6.56 ? 55 ILE B CB 1 +ATOM 2295 C CG1 . ILE B 1 55 ? 60.925 34.459 13.818 1.00 6.91 ? 55 ILE B CG1 1 +ATOM 2296 C CG2 . ILE B 1 55 ? 59.782 32.934 15.473 1.00 7.22 ? 55 ILE B CG2 1 +ATOM 2297 C CD1 . ILE B 1 55 ? 61.671 34.590 12.510 1.00 7.52 ? 55 ILE B CD1 1 +ATOM 2298 N N . ALA B 1 56 ? 62.628 32.315 16.709 1.00 5.64 ? 56 ALA B N 1 +ATOM 2299 C CA . ALA B 1 56 ? 63.416 32.813 17.831 1.00 5.73 ? 56 ALA B CA 1 +ATOM 2300 C C . ALA B 1 56 ? 64.885 32.433 17.630 1.00 5.81 ? 56 ALA B C 1 +ATOM 2301 O O . ALA B 1 56 ? 65.781 33.248 17.856 1.00 6.01 ? 56 ALA B O 1 +ATOM 2302 C CB . ALA B 1 56 ? 62.893 32.235 19.147 1.00 5.81 ? 56 ALA B CB 1 +ATOM 2303 N N . ARG B 1 57 ? 65.130 31.198 17.197 1.00 5.80 ? 57 ARG B N 1 +ATOM 2304 C CA . ARG B 1 57 ? 66.495 30.737 16.967 1.00 6.02 ? 57 ARG B CA 1 +ATOM 2305 C C . ARG B 1 57 ? 67.179 31.616 15.929 1.00 6.09 ? 57 ARG B C 1 +ATOM 2306 O O . ARG B 1 57 ? 68.333 32.005 16.096 1.00 6.11 ? 57 ARG B O 1 +ATOM 2307 C CB . ARG B 1 57 ? 66.504 29.287 16.476 1.00 6.34 ? 57 ARG B CB 1 +ATOM 2308 C CG . ARG B 1 57 ? 67.908 28.728 16.272 1.00 6.97 ? 57 ARG B CG 1 +ATOM 2309 C CD . ARG B 1 57 ? 68.588 28.447 17.605 1.00 7.69 ? 57 ARG B CD 1 +ATOM 2310 N NE . ARG B 1 57 ? 68.146 27.177 18.175 1.00 8.20 ? 57 ARG B NE 1 +ATOM 2311 C CZ . ARG B 1 57 ? 68.467 26.746 19.390 1.00 8.31 ? 57 ARG B CZ 1 +ATOM 2312 N NH1 . ARG B 1 57 ? 69.230 27.486 20.185 1.00 8.30 ? 57 ARG B NH1 1 +ATOM 2313 N NH2 . ARG B 1 57 ? 68.050 25.559 19.799 1.00 8.59 ? 57 ARG B NH2 1 +ATOM 2314 N N . LYS B 1 58 ? 66.459 31.922 14.852 1.00 6.33 ? 58 LYS B N 1 +ATOM 2315 C CA . LYS B 1 58 ? 66.996 32.757 13.784 1.00 6.62 ? 58 LYS B CA 1 +ATOM 2316 C C . LYS B 1 58 ? 67.298 34.159 14.301 1.00 6.52 ? 58 LYS B C 1 +ATOM 2317 O O . LYS B 1 58 ? 68.347 34.727 14.000 1.00 6.47 ? 58 LYS B O 1 +ATOM 2318 C CB . LYS B 1 58 ? 65.996 32.829 12.626 1.00 7.07 ? 58 LYS B CB 1 +ATOM 2319 C CG . LYS B 1 58 ? 66.444 33.671 11.440 1.00 8.23 ? 58 LYS B CG 1 +ATOM 2320 C CD . LYS B 1 58 ? 65.486 33.490 10.267 1.00 8.51 ? 58 LYS B CD 1 +ATOM 2321 C CE . LYS B 1 58 ? 65.929 34.274 9.043 1.00 9.29 ? 58 LYS B CE 1 +ATOM 2322 N NZ . LYS B 1 58 ? 65.090 33.926 7.864 1.00 9.74 ? 58 LYS B NZ 1 +ATOM 2323 N N . THR B 1 59 ? 66.381 34.707 15.090 1.00 6.13 ? 59 THR B N 1 +ATOM 2324 C CA . THR B 1 59 ? 66.547 36.049 15.640 1.00 6.14 ? 59 THR B CA 1 +ATOM 2325 C C . THR B 1 59 ? 67.761 36.131 16.567 1.00 6.20 ? 59 THR B C 1 +ATOM 2326 O O . THR B 1 59 ? 68.562 37.064 16.478 1.00 6.19 ? 59 THR B O 1 +ATOM 2327 C CB . THR B 1 59 ? 65.278 36.485 16.401 1.00 6.11 ? 59 THR B CB 1 +ATOM 2328 O OG1 . THR B 1 59 ? 64.143 36.405 15.523 1.00 6.45 ? 59 THR B OG1 1 +ATOM 2329 C CG2 . THR B 1 59 ? 65.422 37.911 16.900 1.00 5.92 ? 59 THR B CG2 1 +ATOM 2330 N N . LEU B 1 60 ? 67.901 35.153 17.458 1.00 6.02 ? 60 LEU B N 1 +ATOM 2331 C CA . LEU B 1 60 ? 69.029 35.128 18.385 1.00 6.25 ? 60 LEU B CA 1 +ATOM 2332 C C . LEU B 1 60 ? 70.355 34.973 17.634 1.00 6.59 ? 60 LEU B C 1 +ATOM 2333 O O . LEU B 1 60 ? 71.358 35.592 17.991 1.00 6.70 ? 60 LEU B O 1 +ATOM 2334 C CB . LEU B 1 60 ? 68.852 33.986 19.398 1.00 6.12 ? 60 LEU B CB 1 +ATOM 2335 C CG . LEU B 1 60 ? 67.680 34.123 20.380 1.00 6.14 ? 60 LEU B CG 1 +ATOM 2336 C CD1 . LEU B 1 60 ? 67.499 32.823 21.153 1.00 6.36 ? 60 LEU B CD1 1 +ATOM 2337 C CD2 . LEU B 1 60 ? 67.934 35.284 21.333 1.00 6.05 ? 60 LEU B CD2 1 +ATOM 2338 N N . LYS B 1 61 ? 70.355 34.158 16.584 1.00 6.99 ? 61 LYS B N 1 +ATOM 2339 C CA . LYS B 1 61 ? 71.564 33.937 15.794 1.00 7.59 ? 61 LYS B CA 1 +ATOM 2340 C C . LYS B 1 61 ? 71.978 35.193 15.035 1.00 7.59 ? 61 LYS B C 1 +ATOM 2341 O O . LYS B 1 61 ? 73.150 35.575 15.038 1.00 7.64 ? 61 LYS B O 1 +ATOM 2342 C CB . LYS B 1 61 ? 71.345 32.790 14.797 1.00 8.28 ? 61 LYS B CB 1 +ATOM 2343 C CG . LYS B 1 61 ? 72.547 32.488 13.905 1.00 9.37 ? 61 LYS B CG 1 +ATOM 2344 C CD . LYS B 1 61 ? 72.213 31.428 12.860 1.00 10.44 ? 61 LYS B CD 1 +ATOM 2345 C CE . LYS B 1 61 ? 73.412 31.125 11.974 1.00 11.30 ? 61 LYS B CE 1 +ATOM 2346 N NZ . LYS B 1 61 ? 73.101 30.091 10.945 1.00 12.07 ? 61 LYS B NZ 1 +ATOM 2347 N N . GLU B 1 62 ? 71.011 35.849 14.404 1.00 7.89 ? 62 GLU B N 1 +ATOM 2348 C CA . GLU B 1 62 ? 71.312 37.032 13.616 1.00 8.47 ? 62 GLU B CA 1 +ATOM 2349 C C . GLU B 1 62 ? 71.766 38.240 14.425 1.00 8.17 ? 62 GLU B C 1 +ATOM 2350 O O . GLU B 1 62 ? 72.396 39.142 13.873 1.00 8.13 ? 62 GLU B O 1 +ATOM 2351 C CB . GLU B 1 62 ? 70.117 37.392 12.727 1.00 9.41 ? 62 GLU B CB 1 +ATOM 2352 C CG . GLU B 1 62 ? 69.682 36.240 11.824 1.00 11.85 ? 62 GLU B CG 1 +ATOM 2353 C CD . GLU B 1 62 ? 68.861 36.684 10.625 1.00 12.41 ? 62 GLU B CD 1 +ATOM 2354 O OE1 . GLU B 1 62 ? 68.039 37.613 10.763 1.00 13.87 ? 62 GLU B OE1 1 +ATOM 2355 O OE2 . GLU B 1 62 ? 69.030 36.085 9.542 1.00 13.84 ? 62 GLU B OE2 1 +ATOM 2356 N N . GLN B 1 63 ? 71.463 38.266 15.723 1.00 7.80 ? 63 GLN B N 1 +ATOM 2357 C CA . GLN B 1 63 ? 71.906 39.382 16.559 1.00 7.72 ? 63 GLN B CA 1 +ATOM 2358 C C . GLN B 1 63 ? 73.184 39.005 17.306 1.00 7.68 ? 63 GLN B C 1 +ATOM 2359 O O . GLN B 1 63 ? 73.607 39.702 18.229 1.00 7.88 ? 63 GLN B O 1 +ATOM 2360 C CB . GLN B 1 63 ? 70.823 39.816 17.558 1.00 7.53 ? 63 GLN B CB 1 +ATOM 2361 C CG . GLN B 1 63 ? 70.396 38.757 18.561 1.00 7.28 ? 63 GLN B CG 1 +ATOM 2362 C CD . GLN B 1 63 ? 69.412 39.290 19.592 1.00 7.33 ? 63 GLN B CD 1 +ATOM 2363 O OE1 . GLN B 1 63 ? 68.666 40.234 19.330 1.00 7.77 ? 63 GLN B OE1 1 +ATOM 2364 N NE2 . GLN B 1 63 ? 69.392 38.669 20.766 1.00 7.37 ? 63 GLN B NE2 1 +ATOM 2365 N N . GLY B 1 64 ? 73.790 37.893 16.903 1.00 7.86 ? 64 GLY B N 1 +ATOM 2366 C CA . GLY B 1 64 ? 75.034 37.460 17.513 1.00 8.15 ? 64 GLY B CA 1 +ATOM 2367 C C . GLY B 1 64 ? 74.975 36.896 18.918 1.00 8.60 ? 64 GLY B C 1 +ATOM 2368 O O . GLY B 1 64 ? 75.977 36.929 19.631 1.00 8.97 ? 64 GLY B O 1 +ATOM 2369 N N . THR B 1 65 ? 73.822 36.376 19.327 1.00 8.61 ? 65 THR B N 1 +ATOM 2370 C CA . THR B 1 65 ? 73.693 35.792 20.659 1.00 8.58 ? 65 THR B CA 1 +ATOM 2371 C C . THR B 1 65 ? 73.168 34.360 20.592 1.00 8.67 ? 65 THR B C 1 +ATOM 2372 O O . THR B 1 65 ? 72.144 34.035 21.192 1.00 8.34 ? 65 THR B O 1 +ATOM 2373 C CB . THR B 1 65 ? 72.755 36.628 21.560 1.00 8.49 ? 65 THR B CB 1 +ATOM 2374 O OG1 . THR B 1 65 ? 71.434 36.647 21.006 1.00 8.17 ? 65 THR B OG1 1 +ATOM 2375 C CG2 . THR B 1 65 ? 73.268 38.048 21.675 1.00 8.90 ? 65 THR B CG2 1 +ATOM 2376 N N . PRO B 1 66 ? 73.868 33.478 19.860 1.00 8.97 ? 66 PRO B N 1 +ATOM 2377 C CA . PRO B 1 66 ? 73.412 32.089 19.758 1.00 9.33 ? 66 PRO B CA 1 +ATOM 2378 C C . PRO B 1 66 ? 73.543 31.321 21.069 1.00 9.60 ? 66 PRO B C 1 +ATOM 2379 O O . PRO B 1 66 ? 72.983 30.233 21.212 1.00 9.64 ? 66 PRO B O 1 +ATOM 2380 C CB . PRO B 1 66 ? 74.300 31.517 18.657 1.00 9.49 ? 66 PRO B CB 1 +ATOM 2381 C CG . PRO B 1 66 ? 75.580 32.259 18.853 1.00 9.43 ? 66 PRO B CG 1 +ATOM 2382 C CD . PRO B 1 66 ? 75.107 33.682 19.088 1.00 9.23 ? 66 PRO B CD 1 +ATOM 2383 N N . GLU B 1 67 ? 74.278 31.892 22.021 1.00 9.79 ? 67 GLU B N 1 +ATOM 2384 C CA . GLU B 1 67 ? 74.484 31.254 23.319 1.00 9.96 ? 67 GLU B CA 1 +ATOM 2385 C C . GLU B 1 67 ? 73.259 31.378 24.215 1.00 9.50 ? 67 GLU B C 1 +ATOM 2386 O O . GLU B 1 67 ? 73.187 30.737 25.266 1.00 9.65 ? 67 GLU B O 1 +ATOM 2387 C CB . GLU B 1 67 ? 75.698 31.851 24.037 1.00 10.95 ? 67 GLU B CB 1 +ATOM 2388 C CG . GLU B 1 67 ? 75.512 33.292 24.481 1.00 12.37 ? 67 GLU B CG 1 +ATOM 2389 C CD . GLU B 1 67 ? 76.038 34.294 23.475 1.00 13.06 ? 67 GLU B CD 1 +ATOM 2390 O OE1 . GLU B 1 67 ? 75.801 34.110 22.263 1.00 13.48 ? 67 GLU B OE1 1 +ATOM 2391 O OE2 . GLU B 1 67 ? 76.686 35.273 23.902 1.00 14.29 ? 67 GLU B OE2 1 +ATOM 2392 N N . ILE B 1 68 ? 72.311 32.225 23.828 1.00 8.54 ? 68 ILE B N 1 +ATOM 2393 C CA . ILE B 1 68 ? 71.086 32.361 24.607 1.00 8.14 ? 68 ILE B CA 1 +ATOM 2394 C C . ILE B 1 68 ? 70.259 31.137 24.235 1.00 7.97 ? 68 ILE B C 1 +ATOM 2395 O O . ILE B 1 68 ? 69.837 30.976 23.088 1.00 7.80 ? 68 ILE B O 1 +ATOM 2396 C CB . ILE B 1 68 ? 70.321 33.658 24.265 1.00 7.80 ? 68 ILE B CB 1 +ATOM 2397 C CG1 . ILE B 1 68 ? 71.152 34.872 24.702 1.00 7.94 ? 68 ILE B CG1 1 +ATOM 2398 C CG2 . ILE B 1 68 ? 68.966 33.663 24.965 1.00 7.82 ? 68 ILE B CG2 1 +ATOM 2399 C CD1 . ILE B 1 68 ? 70.510 36.224 24.397 1.00 7.95 ? 68 ILE B CD1 1 +ATOM 2400 N N . ARG B 1 69 ? 70.066 30.258 25.210 1.00 7.70 ? 69 ARG B N 1 +ATOM 2401 C CA . ARG B 1 69 ? 69.335 29.015 25.013 1.00 7.71 ? 69 ARG B CA 1 +ATOM 2402 C C . ARG B 1 69 ? 67.843 29.211 24.809 1.00 6.92 ? 69 ARG B C 1 +ATOM 2403 O O . ARG B 1 69 ? 67.276 30.227 25.207 1.00 6.55 ? 69 ARG B O 1 +ATOM 2404 C CB . ARG B 1 69 ? 69.587 28.089 26.210 1.00 9.07 ? 69 ARG B CB 1 +ATOM 2405 C CG . ARG B 1 69 ? 71.034 27.607 26.284 1.00 11.05 ? 69 ARG B CG 1 +ATOM 2406 C CD . ARG B 1 69 ? 71.401 26.964 27.613 1.00 13.23 ? 69 ARG B CD 1 +ATOM 2407 N NE . ARG B 1 69 ? 71.757 27.957 28.623 1.00 14.59 ? 69 ARG B NE 1 +ATOM 2408 C CZ . ARG B 1 69 ? 72.694 28.888 28.452 1.00 15.13 ? 69 ARG B CZ 1 +ATOM 2409 N NH1 . ARG B 1 69 ? 73.372 28.952 27.314 1.00 15.99 ? 69 ARG B NH1 1 +ATOM 2410 N NH2 . ARG B 1 69 ? 72.944 29.766 29.408 1.00 15.14 ? 69 ARG B NH2 1 +ATOM 2411 N N . ILE B 1 70 ? 67.208 28.239 24.163 1.00 6.25 ? 70 ILE B N 1 +ATOM 2412 C CA . ILE B 1 70 ? 65.772 28.320 23.948 1.00 5.83 ? 70 ILE B CA 1 +ATOM 2413 C C . ILE B 1 70 ? 65.055 27.205 24.703 1.00 5.59 ? 70 ILE B C 1 +ATOM 2414 O O . ILE B 1 70 ? 65.229 26.014 24.416 1.00 5.54 ? 70 ILE B O 1 +ATOM 2415 C CB . ILE B 1 70 ? 65.406 28.230 22.450 1.00 5.87 ? 70 ILE B CB 1 +ATOM 2416 C CG1 . ILE B 1 70 ? 66.067 29.375 21.677 1.00 5.89 ? 70 ILE B CG1 1 +ATOM 2417 C CG2 . ILE B 1 70 ? 63.888 28.301 22.290 1.00 5.87 ? 70 ILE B CG2 1 +ATOM 2418 C CD1 . ILE B 1 70 ? 65.822 29.326 20.180 1.00 6.22 ? 70 ILE B CD1 1 +ATOM 2419 N N . ALA B 1 71 ? 64.269 27.604 25.692 1.00 5.20 ? 71 ALA B N 1 +ATOM 2420 C CA . ALA B 1 71 ? 63.489 26.666 26.478 1.00 5.12 ? 71 ALA B CA 1 +ATOM 2421 C C . ALA B 1 71 ? 62.035 26.812 26.055 1.00 5.08 ? 71 ALA B C 1 +ATOM 2422 O O . ALA B 1 71 ? 61.624 27.851 25.528 1.00 5.11 ? 71 ALA B O 1 +ATOM 2423 C CB . ALA B 1 71 ? 63.638 26.968 27.969 1.00 5.01 ? 71 ALA B CB 1 +ATOM 2424 N N . THR B 1 72 ? 61.254 25.766 26.277 1.00 4.89 ? 72 THR B N 1 +ATOM 2425 C CA . THR B 1 72 ? 59.846 25.806 25.931 1.00 4.88 ? 72 THR B CA 1 +ATOM 2426 C C . THR B 1 72 ? 59.087 24.976 26.964 1.00 4.94 ? 72 THR B C 1 +ATOM 2427 O O . THR B 1 72 ? 59.687 24.460 27.911 1.00 5.10 ? 72 THR B O 1 +ATOM 2428 C CB . THR B 1 72 ? 59.626 25.279 24.482 1.00 4.96 ? 72 THR B CB 1 +ATOM 2429 O OG1 . THR B 1 72 ? 58.278 25.541 24.071 1.00 5.25 ? 72 THR B OG1 1 +ATOM 2430 C CG2 . THR B 1 72 ? 59.912 23.791 24.393 1.00 5.16 ? 72 THR B CG2 1 +ATOM 2431 N N . VAL B 1 73 ? 57.775 24.862 26.799 1.00 4.97 ? 73 VAL B N 1 +ATOM 2432 C CA . VAL B 1 73 ? 56.955 24.110 27.740 1.00 5.12 ? 73 VAL B CA 1 +ATOM 2433 C C . VAL B 1 73 ? 56.074 23.091 27.034 1.00 4.91 ? 73 VAL B C 1 +ATOM 2434 O O . VAL B 1 73 ? 55.628 23.325 25.911 1.00 5.13 ? 73 VAL B O 1 +ATOM 2435 C CB . VAL B 1 73 ? 56.033 25.055 28.554 1.00 5.13 ? 73 VAL B CB 1 +ATOM 2436 C CG1 . VAL B 1 73 ? 56.866 25.976 29.438 1.00 5.70 ? 73 VAL B CG1 1 +ATOM 2437 C CG2 . VAL B 1 73 ? 55.159 25.870 27.606 1.00 5.87 ? 73 VAL B CG2 1 +ATOM 2438 N N . THR B 1 74 ? 55.841 21.957 27.695 1.00 4.83 ? 74 THR B N 1 +ATOM 2439 C CA . THR B 1 74 ? 54.980 20.900 27.166 1.00 4.78 ? 74 THR B CA 1 +ATOM 2440 C C . THR B 1 74 ? 54.086 20.363 28.294 1.00 4.70 ? 74 THR B C 1 +ATOM 2441 O O . THR B 1 74 ? 54.371 20.583 29.482 1.00 4.55 ? 74 THR B O 1 +ATOM 2442 C CB . THR B 1 74 ? 55.795 19.747 26.519 1.00 4.84 ? 74 THR B CB 1 +ATOM 2443 O OG1 . THR B 1 74 ? 56.675 19.161 27.486 1.00 4.58 ? 74 THR B OG1 1 +ATOM 2444 C CG2 . THR B 1 74 ? 56.612 20.273 25.346 1.00 4.82 ? 74 THR B CG2 1 +ATOM 2445 N N . ASN B 1 75 ? 53.005 19.676 27.913 1.00 4.77 ? 75 ASN B N 1 +ATOM 2446 C CA . ASN B 1 75 ? 52.003 19.148 28.853 1.00 4.67 ? 75 ASN B CA 1 +ATOM 2447 C C . ASN B 1 75 ? 51.598 20.320 29.734 1.00 4.80 ? 75 ASN B C 1 +ATOM 2448 O O . ASN B 1 75 ? 51.258 20.164 30.905 1.00 4.87 ? 75 ASN B O 1 +ATOM 2449 C CB . ASN B 1 75 ? 52.588 18.019 29.710 1.00 4.54 ? 75 ASN B CB 1 +ATOM 2450 C CG . ASN B 1 75 ? 51.512 17.092 30.249 1.00 4.53 ? 75 ASN B CG 1 +ATOM 2451 O OD1 . ASN B 1 75 ? 50.569 16.756 29.537 1.00 5.19 ? 75 ASN B OD1 1 +ATOM 2452 N ND2 . ASN B 1 75 ? 51.655 16.665 31.499 1.00 4.47 ? 75 ASN B ND2 1 +ATOM 2453 N N . PHE B 1 76 ? 51.576 21.489 29.107 1.00 4.91 ? 76 PHE B N 1 +ATOM 2454 C CA . PHE B 1 76 ? 51.350 22.767 29.766 1.00 5.38 ? 76 PHE B CA 1 +ATOM 2455 C C . PHE B 1 76 ? 50.039 23.485 29.439 1.00 5.55 ? 76 PHE B C 1 +ATOM 2456 O O . PHE B 1 76 ? 49.585 23.481 28.298 1.00 5.96 ? 76 PHE B O 1 +ATOM 2457 C CB . PHE B 1 76 ? 52.563 23.626 29.392 1.00 5.05 ? 76 PHE B CB 1 +ATOM 2458 C CG . PHE B 1 76 ? 52.580 24.998 29.991 1.00 4.75 ? 76 PHE B CG 1 +ATOM 2459 C CD1 . PHE B 1 76 ? 51.824 26.027 29.437 1.00 4.98 ? 76 PHE B CD1 1 +ATOM 2460 C CD2 . PHE B 1 76 ? 53.415 25.283 31.067 1.00 4.93 ? 76 PHE B CD2 1 +ATOM 2461 C CE1 . PHE B 1 76 ? 51.905 27.322 29.942 1.00 5.06 ? 76 PHE B CE1 1 +ATOM 2462 C CE2 . PHE B 1 76 ? 53.503 26.573 31.578 1.00 5.01 ? 76 PHE B CE2 1 +ATOM 2463 C CZ . PHE B 1 76 ? 52.747 27.594 31.014 1.00 5.30 ? 76 PHE B CZ 1 +ATOM 2464 N N . PRO B 1 77 ? 49.416 24.129 30.443 1.00 5.79 ? 77 PRO B N 1 +ATOM 2465 C CA . PRO B 1 77 ? 49.864 24.215 31.838 1.00 5.91 ? 77 PRO B CA 1 +ATOM 2466 C C . PRO B 1 77 ? 49.166 23.174 32.715 1.00 5.96 ? 77 PRO B C 1 +ATOM 2467 O O . PRO B 1 77 ? 49.469 23.036 33.898 1.00 6.02 ? 77 PRO B O 1 +ATOM 2468 C CB . PRO B 1 77 ? 49.456 25.627 32.225 1.00 6.04 ? 77 PRO B CB 1 +ATOM 2469 C CG . PRO B 1 77 ? 48.112 25.737 31.558 1.00 6.13 ? 77 PRO B CG 1 +ATOM 2470 C CD . PRO B 1 77 ? 48.359 25.126 30.179 1.00 6.12 ? 77 PRO B CD 1 +ATOM 2471 N N . HIS B 1 78 ? 48.243 22.440 32.102 1.00 6.06 ? 78 HIS B N 1 +ATOM 2472 C CA . HIS B 1 78 ? 47.421 21.442 32.780 1.00 6.21 ? 78 HIS B CA 1 +ATOM 2473 C C . HIS B 1 78 ? 48.096 20.322 33.565 1.00 6.04 ? 78 HIS B C 1 +ATOM 2474 O O . HIS B 1 78 ? 47.625 19.954 34.638 1.00 6.29 ? 78 HIS B O 1 +ATOM 2475 C CB . HIS B 1 78 ? 46.460 20.817 31.769 1.00 6.50 ? 78 HIS B CB 1 +ATOM 2476 C CG . HIS B 1 78 ? 47.142 20.258 30.561 1.00 6.94 ? 78 HIS B CG 1 +ATOM 2477 N ND1 . HIS B 1 78 ? 47.154 20.904 29.343 1.00 7.77 ? 78 HIS B ND1 1 +ATOM 2478 C CD2 . HIS B 1 78 ? 47.858 19.121 30.391 1.00 6.94 ? 78 HIS B CD2 1 +ATOM 2479 C CE1 . HIS B 1 78 ? 47.846 20.187 28.475 1.00 7.36 ? 78 HIS B CE1 1 +ATOM 2480 N NE2 . HIS B 1 78 ? 48.284 19.101 29.086 1.00 7.99 ? 78 HIS B NE2 1 +ATOM 2481 N N . GLY B 1 79 ? 49.179 19.763 33.042 1.00 5.98 ? 79 GLY B N 1 +ATOM 2482 C CA . GLY B 1 79 ? 49.822 18.670 33.745 1.00 5.98 ? 79 GLY B CA 1 +ATOM 2483 C C . GLY B 1 79 ? 48.948 17.427 33.727 1.00 6.04 ? 79 GLY B C 1 +ATOM 2484 O O . GLY B 1 79 ? 48.859 16.703 34.719 1.00 5.93 ? 79 GLY B O 1 +ATOM 2485 N N . ASN B 1 80 ? 48.293 17.178 32.597 1.00 6.18 ? 80 ASN B N 1 +ATOM 2486 C CA . ASN B 1 80 ? 47.438 16.003 32.472 1.00 6.71 ? 80 ASN B CA 1 +ATOM 2487 C C . ASN B 1 80 ? 48.291 14.743 32.584 1.00 6.90 ? 80 ASN B C 1 +ATOM 2488 O O . ASN B 1 80 ? 49.516 14.799 32.471 1.00 6.78 ? 80 ASN B O 1 +ATOM 2489 C CB . ASN B 1 80 ? 46.672 16.032 31.145 1.00 7.00 ? 80 ASN B CB 1 +ATOM 2490 C CG . ASN B 1 80 ? 45.607 17.115 31.115 1.00 7.59 ? 80 ASN B CG 1 +ATOM 2491 O OD1 . ASN B 1 80 ? 45.189 17.618 32.162 1.00 8.22 ? 80 ASN B OD1 1 +ATOM 2492 N ND2 . ASN B 1 80 ? 45.158 17.474 29.917 1.00 8.16 ? 80 ASN B ND2 1 +ATOM 2493 N N . ASP B 1 81 ? 47.647 13.603 32.806 1.00 7.18 ? 81 ASP B N 1 +ATOM 2494 C CA . ASP B 1 81 ? 48.392 12.365 32.976 1.00 7.50 ? 81 ASP B CA 1 +ATOM 2495 C C . ASP B 1 81 ? 48.432 11.451 31.754 1.00 7.42 ? 81 ASP B C 1 +ATOM 2496 O O . ASP B 1 81 ? 48.613 10.241 31.883 1.00 7.41 ? 81 ASP B O 1 +ATOM 2497 C CB . ASP B 1 81 ? 47.856 11.608 34.196 1.00 8.41 ? 81 ASP B CB 1 +ATOM 2498 C CG . ASP B 1 81 ? 46.569 10.875 33.910 1.00 9.10 ? 81 ASP B CG 1 +ATOM 2499 O OD1 . ASP B 1 81 ? 45.798 11.327 33.038 1.00 9.25 ? 81 ASP B OD1 1 +ATOM 2500 O OD2 . ASP B 1 81 ? 46.325 9.844 34.575 1.00 10.23 ? 81 ASP B OD2 1 +ATOM 2501 N N . ASP B 1 82 ? 48.259 12.028 30.568 1.00 7.26 ? 82 ASP B N 1 +ATOM 2502 C CA . ASP B 1 82 ? 48.325 11.244 29.339 1.00 7.12 ? 82 ASP B CA 1 +ATOM 2503 C C . ASP B 1 82 ? 49.773 11.338 28.859 1.00 6.99 ? 82 ASP B C 1 +ATOM 2504 O O . ASP B 1 82 ? 50.204 12.362 28.318 1.00 6.81 ? 82 ASP B O 1 +ATOM 2505 C CB . ASP B 1 82 ? 47.379 11.803 28.271 1.00 7.73 ? 82 ASP B CB 1 +ATOM 2506 C CG . ASP B 1 82 ? 47.295 10.911 27.043 1.00 8.09 ? 82 ASP B CG 1 +ATOM 2507 O OD1 . ASP B 1 82 ? 48.354 10.439 26.582 1.00 8.53 ? 82 ASP B OD1 1 +ATOM 2508 O OD2 . ASP B 1 82 ? 46.174 10.690 26.530 1.00 9.29 ? 82 ASP B OD2 1 +ATOM 2509 N N . ILE B 1 83 ? 50.524 10.267 29.077 1.00 6.92 ? 83 ILE B N 1 +ATOM 2510 C CA . ILE B 1 83 ? 51.927 10.215 28.695 1.00 6.97 ? 83 ILE B CA 1 +ATOM 2511 C C . ILE B 1 83 ? 52.138 10.298 27.184 1.00 6.96 ? 83 ILE B C 1 +ATOM 2512 O O . ILE B 1 83 ? 53.102 10.911 26.718 1.00 6.82 ? 83 ILE B O 1 +ATOM 2513 C CB . ILE B 1 83 ? 52.585 8.928 29.243 1.00 7.19 ? 83 ILE B CB 1 +ATOM 2514 C CG1 . ILE B 1 83 ? 52.438 8.892 30.768 1.00 7.83 ? 83 ILE B CG1 1 +ATOM 2515 C CG2 . ILE B 1 83 ? 54.055 8.878 28.845 1.00 7.70 ? 83 ILE B CG2 1 +ATOM 2516 C CD1 . ILE B 1 83 ? 52.887 7.585 31.402 1.00 8.34 ? 83 ILE B CD1 1 +ATOM 2517 N N . ASP B 1 84 ? 51.242 9.691 26.414 1.00 7.04 ? 84 ASP B N 1 +ATOM 2518 C CA . ASP B 1 84 ? 51.380 9.733 24.961 1.00 7.30 ? 84 ASP B CA 1 +ATOM 2519 C C . ASP B 1 84 ? 51.331 11.170 24.451 1.00 6.85 ? 84 ASP B C 1 +ATOM 2520 O O . ASP B 1 84 ? 52.118 11.561 23.590 1.00 6.76 ? 84 ASP B O 1 +ATOM 2521 C CB . ASP B 1 84 ? 50.283 8.897 24.291 1.00 8.32 ? 84 ASP B CB 1 +ATOM 2522 C CG . ASP B 1 84 ? 50.432 7.412 24.571 1.00 9.41 ? 84 ASP B CG 1 +ATOM 2523 O OD1 . ASP B 1 84 ? 51.545 6.877 24.387 1.00 10.51 ? 84 ASP B OD1 1 +ATOM 2524 O OD2 . ASP B 1 84 ? 49.435 6.779 24.968 1.00 11.03 ? 84 ASP B OD2 1 +ATOM 2525 N N . ILE B 1 85 ? 50.414 11.962 24.994 1.00 6.44 ? 85 ILE B N 1 +ATOM 2526 C CA . ILE B 1 85 ? 50.287 13.354 24.580 1.00 6.18 ? 85 ILE B CA 1 +ATOM 2527 C C . ILE B 1 85 ? 51.497 14.172 25.038 1.00 5.99 ? 85 ILE B C 1 +ATOM 2528 O O . ILE B 1 85 ? 52.062 14.946 24.266 1.00 5.76 ? 85 ILE B O 1 +ATOM 2529 C CB . ILE B 1 85 ? 48.968 13.972 25.126 1.00 6.15 ? 85 ILE B CB 1 +ATOM 2530 C CG1 . ILE B 1 85 ? 47.774 13.366 24.375 1.00 6.41 ? 85 ILE B CG1 1 +ATOM 2531 C CG2 . ILE B 1 85 ? 48.994 15.492 24.986 1.00 6.39 ? 85 ILE B CG2 1 +ATOM 2532 C CD1 . ILE B 1 85 ? 46.417 13.946 24.760 1.00 6.29 ? 85 ILE B CD1 1 +ATOM 2533 N N . ALA B 1 86 ? 51.910 13.990 26.288 1.00 5.78 ? 86 ALA B N 1 +ATOM 2534 C CA . ALA B 1 86 ? 53.058 14.724 26.809 1.00 5.56 ? 86 ALA B CA 1 +ATOM 2535 C C . ALA B 1 86 ? 54.317 14.401 26.003 1.00 5.59 ? 86 ALA B C 1 +ATOM 2536 O O . ALA B 1 86 ? 55.124 15.286 25.707 1.00 5.49 ? 86 ALA B O 1 +ATOM 2537 C CB . ALA B 1 86 ? 53.266 14.390 28.287 1.00 5.51 ? 86 ALA B CB 1 +ATOM 2538 N N . LEU B 1 87 ? 54.479 13.135 25.634 1.00 5.72 ? 87 LEU B N 1 +ATOM 2539 C CA . LEU B 1 87 ? 55.647 12.723 24.865 1.00 5.77 ? 87 LEU B CA 1 +ATOM 2540 C C . LEU B 1 87 ? 55.607 13.278 23.441 1.00 5.71 ? 87 LEU B C 1 +ATOM 2541 O O . LEU B 1 87 ? 56.630 13.706 22.906 1.00 5.76 ? 87 LEU B O 1 +ATOM 2542 C CB . LEU B 1 87 ? 55.746 11.195 24.834 1.00 6.36 ? 87 LEU B CB 1 +ATOM 2543 C CG . LEU B 1 87 ? 56.935 10.615 24.062 1.00 6.65 ? 87 LEU B CG 1 +ATOM 2544 C CD1 . LEU B 1 87 ? 58.253 11.133 24.631 1.00 7.07 ? 87 LEU B CD1 1 +ATOM 2545 C CD2 . LEU B 1 87 ? 56.879 9.099 24.143 1.00 7.20 ? 87 LEU B CD2 1 +ATOM 2546 N N . ALA B 1 88 ? 54.430 13.270 22.824 1.00 5.47 ? 88 ALA B N 1 +ATOM 2547 C CA . ALA B 1 88 ? 54.298 13.789 21.469 1.00 5.50 ? 88 ALA B CA 1 +ATOM 2548 C C . ALA B 1 88 ? 54.637 15.276 21.445 1.00 5.39 ? 88 ALA B C 1 +ATOM 2549 O O . ALA B 1 88 ? 55.338 15.746 20.546 1.00 5.56 ? 88 ALA B O 1 +ATOM 2550 C CB . ALA B 1 88 ? 52.883 13.565 20.949 1.00 5.58 ? 88 ALA B CB 1 +ATOM 2551 N N . GLU B 1 89 ? 54.139 16.019 22.430 1.00 5.31 ? 89 GLU B N 1 +ATOM 2552 C CA . GLU B 1 89 ? 54.416 17.448 22.500 1.00 5.21 ? 89 GLU B CA 1 +ATOM 2553 C C . GLU B 1 89 ? 55.904 17.689 22.703 1.00 5.26 ? 89 GLU B C 1 +ATOM 2554 O O . GLU B 1 89 ? 56.485 18.593 22.099 1.00 5.17 ? 89 GLU B O 1 +ATOM 2555 C CB . GLU B 1 89 ? 53.623 18.095 23.639 1.00 5.45 ? 89 GLU B CB 1 +ATOM 2556 C CG . GLU B 1 89 ? 52.117 17.976 23.460 1.00 5.94 ? 89 GLU B CG 1 +ATOM 2557 C CD . GLU B 1 89 ? 51.330 18.789 24.465 1.00 6.53 ? 89 GLU B CD 1 +ATOM 2558 O OE1 . GLU B 1 89 ? 51.915 19.221 25.481 1.00 6.97 ? 89 GLU B OE1 1 +ATOM 2559 O OE2 . GLU B 1 89 ? 50.116 18.986 24.245 1.00 6.98 ? 89 GLU B OE2 1 +ATOM 2560 N N . THR B 1 90 ? 56.522 16.868 23.543 1.00 5.03 ? 90 THR B N 1 +ATOM 2561 C CA . THR B 1 90 ? 57.945 16.993 23.819 1.00 4.83 ? 90 THR B CA 1 +ATOM 2562 C C . THR B 1 90 ? 58.770 16.678 22.563 1.00 4.78 ? 90 THR B C 1 +ATOM 2563 O O . THR B 1 90 ? 59.739 17.376 22.257 1.00 4.26 ? 90 THR B O 1 +ATOM 2564 C CB . THR B 1 90 ? 58.334 16.068 24.996 1.00 4.82 ? 90 THR B CB 1 +ATOM 2565 O OG1 . THR B 1 90 ? 57.667 16.521 26.184 1.00 5.30 ? 90 THR B OG1 1 +ATOM 2566 C CG2 . THR B 1 90 ? 59.832 16.084 25.234 1.00 5.04 ? 90 THR B CG2 1 +ATOM 2567 N N . ARG B 1 91 ? 58.382 15.642 21.824 1.00 4.90 ? 91 ARG B N 1 +ATOM 2568 C CA . ARG B 1 91 ? 59.100 15.303 20.603 1.00 5.38 ? 91 ARG B CA 1 +ATOM 2569 C C . ARG B 1 91 ? 58.927 16.423 19.579 1.00 5.07 ? 91 ARG B C 1 +ATOM 2570 O O . ARG B 1 91 ? 59.845 16.722 18.823 1.00 4.94 ? 91 ARG B O 1 +ATOM 2571 C CB . ARG B 1 91 ? 58.619 13.956 20.046 1.00 6.42 ? 91 ARG B CB 1 +ATOM 2572 C CG . ARG B 1 91 ? 59.157 12.775 20.849 1.00 8.33 ? 91 ARG B CG 1 +ATOM 2573 C CD . ARG B 1 91 ? 58.622 11.424 20.403 1.00 10.07 ? 91 ARG B CD 1 +ATOM 2574 N NE . ARG B 1 91 ? 59.361 10.343 21.053 1.00 11.63 ? 91 ARG B NE 1 +ATOM 2575 C CZ . ARG B 1 91 ? 58.951 9.081 21.136 1.00 12.46 ? 91 ARG B CZ 1 +ATOM 2576 N NH1 . ARG B 1 91 ? 57.787 8.716 20.613 1.00 13.02 ? 91 ARG B NH1 1 +ATOM 2577 N NH2 . ARG B 1 91 ? 59.719 8.179 21.734 1.00 13.03 ? 91 ARG B NH2 1 +ATOM 2578 N N . ALA B 1 92 ? 57.756 17.054 19.566 1.00 4.76 ? 92 ALA B N 1 +ATOM 2579 C CA . ALA B 1 92 ? 57.519 18.160 18.642 1.00 4.59 ? 92 ALA B CA 1 +ATOM 2580 C C . ALA B 1 92 ? 58.416 19.337 19.024 1.00 4.54 ? 92 ALA B C 1 +ATOM 2581 O O . ALA B 1 92 ? 59.011 19.976 18.160 1.00 4.33 ? 92 ALA B O 1 +ATOM 2582 C CB . ALA B 1 92 ? 56.049 18.577 18.674 1.00 4.46 ? 92 ALA B CB 1 +ATOM 2583 N N . ALA B 1 93 ? 58.522 19.611 20.322 1.00 4.51 ? 93 ALA B N 1 +ATOM 2584 C CA . ALA B 1 93 ? 59.365 20.699 20.805 1.00 4.67 ? 93 ALA B CA 1 +ATOM 2585 C C . ALA B 1 93 ? 60.812 20.456 20.379 1.00 4.71 ? 93 ALA B C 1 +ATOM 2586 O O . ALA B 1 93 ? 61.518 21.382 19.970 1.00 4.81 ? 93 ALA B O 1 +ATOM 2587 C CB . ALA B 1 93 ? 59.278 20.794 22.319 1.00 4.69 ? 93 ALA B CB 1 +ATOM 2588 N N . ILE B 1 94 ? 61.250 19.204 20.482 1.00 4.93 ? 94 ILE B N 1 +ATOM 2589 C CA . ILE B 1 94 ? 62.604 18.838 20.091 1.00 5.30 ? 94 ILE B CA 1 +ATOM 2590 C C . ILE B 1 94 ? 62.777 19.089 18.593 1.00 5.46 ? 94 ILE B C 1 +ATOM 2591 O O . ILE B 1 94 ? 63.787 19.647 18.163 1.00 5.64 ? 94 ILE B O 1 +ATOM 2592 C CB . ILE B 1 94 ? 62.884 17.346 20.419 1.00 5.46 ? 94 ILE B CB 1 +ATOM 2593 C CG1 . ILE B 1 94 ? 62.963 17.160 21.939 1.00 5.69 ? 94 ILE B CG1 1 +ATOM 2594 C CG2 . ILE B 1 94 ? 64.175 16.882 19.752 1.00 5.88 ? 94 ILE B CG2 1 +ATOM 2595 C CD1 . ILE B 1 94 ? 62.943 15.706 22.385 1.00 6.13 ? 94 ILE B CD1 1 +ATOM 2596 N N . ALA B 1 95 ? 61.780 18.690 17.804 1.00 5.40 ? 95 ALA B N 1 +ATOM 2597 C CA . ALA B 1 95 ? 61.829 18.870 16.355 1.00 5.63 ? 95 ALA B CA 1 +ATOM 2598 C C . ALA B 1 95 ? 61.863 20.348 15.958 1.00 5.78 ? 95 ALA B C 1 +ATOM 2599 O O . ALA B 1 95 ? 62.519 20.718 14.979 1.00 6.16 ? 95 ALA B O 1 +ATOM 2600 C CB . ALA B 1 95 ? 60.637 18.171 15.703 1.00 5.61 ? 95 ALA B CB 1 +ATOM 2601 N N . TYR B 1 96 ? 61.151 21.188 16.707 1.00 5.68 ? 96 TYR B N 1 +ATOM 2602 C CA . TYR B 1 96 ? 61.134 22.626 16.437 1.00 5.71 ? 96 TYR B CA 1 +ATOM 2603 C C . TYR B 1 96 ? 62.538 23.185 16.633 1.00 5.85 ? 96 TYR B C 1 +ATOM 2604 O O . TYR B 1 96 ? 62.917 24.160 15.987 1.00 6.51 ? 96 TYR B O 1 +ATOM 2605 C CB . TYR B 1 96 ? 60.188 23.359 17.391 1.00 5.02 ? 96 TYR B CB 1 +ATOM 2606 C CG . TYR B 1 96 ? 58.732 23.428 16.971 1.00 4.32 ? 96 TYR B CG 1 +ATOM 2607 C CD1 . TYR B 1 96 ? 58.352 24.035 15.772 1.00 4.07 ? 96 TYR B CD1 1 +ATOM 2608 C CD2 . TYR B 1 96 ? 57.725 22.973 17.821 1.00 4.30 ? 96 TYR B CD2 1 +ATOM 2609 C CE1 . TYR B 1 96 ? 57.003 24.196 15.439 1.00 4.09 ? 96 TYR B CE1 1 +ATOM 2610 C CE2 . TYR B 1 96 ? 56.379 23.130 17.498 1.00 4.20 ? 96 TYR B CE2 1 +ATOM 2611 C CZ . TYR B 1 96 ? 56.022 23.744 16.311 1.00 4.21 ? 96 TYR B CZ 1 +ATOM 2612 O OH . TYR B 1 96 ? 54.684 23.923 16.023 1.00 4.84 ? 96 TYR B OH 1 +ATOM 2613 N N . GLY B 1 97 ? 63.290 22.575 17.548 1.00 6.09 ? 97 GLY B N 1 +ATOM 2614 C CA . GLY B 1 97 ? 64.649 23.014 17.815 1.00 6.18 ? 97 GLY B CA 1 +ATOM 2615 C C . GLY B 1 97 ? 64.933 23.450 19.244 1.00 6.13 ? 97 GLY B C 1 +ATOM 2616 O O . GLY B 1 97 ? 65.915 24.142 19.492 1.00 6.63 ? 97 GLY B O 1 +ATOM 2617 N N . ALA B 1 98 ? 64.103 23.042 20.197 1.00 5.93 ? 98 ALA B N 1 +ATOM 2618 C CA . ALA B 1 98 ? 64.320 23.444 21.586 1.00 5.74 ? 98 ALA B CA 1 +ATOM 2619 C C . ALA B 1 98 ? 65.636 22.944 22.172 1.00 5.71 ? 98 ALA B C 1 +ATOM 2620 O O . ALA B 1 98 ? 66.106 21.859 21.836 1.00 5.64 ? 98 ALA B O 1 +ATOM 2621 C CB . ALA B 1 98 ? 63.165 22.957 22.450 1.00 5.88 ? 98 ALA B CB 1 +ATOM 2622 N N . ASP B 1 99 ? 66.236 23.753 23.043 1.00 5.79 ? 99 ASP B N 1 +ATOM 2623 C CA . ASP B 1 99 ? 67.461 23.355 23.730 1.00 5.77 ? 99 ASP B CA 1 +ATOM 2624 C C . ASP B 1 99 ? 67.036 22.706 25.044 1.00 5.70 ? 99 ASP B C 1 +ATOM 2625 O O . ASP B 1 99 ? 67.726 21.838 25.580 1.00 5.70 ? 99 ASP B O 1 +ATOM 2626 C CB . ASP B 1 99 ? 68.338 24.563 24.077 1.00 6.06 ? 99 ASP B CB 1 +ATOM 2627 C CG . ASP B 1 99 ? 68.958 25.213 22.867 1.00 6.31 ? 99 ASP B CG 1 +ATOM 2628 O OD1 . ASP B 1 99 ? 69.539 24.486 22.038 1.00 6.71 ? 99 ASP B OD1 1 +ATOM 2629 O OD2 . ASP B 1 99 ? 68.876 26.455 22.759 1.00 6.85 ? 99 ASP B OD2 1 +ATOM 2630 N N . GLU B 1 100 ? 65.894 23.152 25.564 1.00 5.59 ? 100 GLU B N 1 +ATOM 2631 C CA . GLU B 1 100 ? 65.375 22.656 26.832 1.00 5.50 ? 100 GLU B CA 1 +ATOM 2632 C C . GLU B 1 100 ? 63.857 22.595 26.795 1.00 5.16 ? 100 GLU B C 1 +ATOM 2633 O O . GLU B 1 100 ? 63.203 23.415 26.144 1.00 5.04 ? 100 GLU B O 1 +ATOM 2634 C CB . GLU B 1 100 ? 65.820 23.579 27.977 1.00 5.86 ? 100 GLU B CB 1 +ATOM 2635 C CG . GLU B 1 100 ? 67.289 23.980 27.904 1.00 6.69 ? 100 GLU B CG 1 +ATOM 2636 C CD . GLU B 1 100 ? 67.722 24.909 29.024 1.00 6.91 ? 100 GLU B CD 1 +ATOM 2637 O OE1 . GLU B 1 100 ? 66.854 25.526 29.681 1.00 6.91 ? 100 GLU B OE1 1 +ATOM 2638 O OE2 . GLU B 1 100 ? 68.945 25.029 29.232 1.00 7.60 ? 100 GLU B OE2 1 +ATOM 2639 N N . VAL B 1 101 ? 63.307 21.605 27.489 1.00 4.81 ? 101 VAL B N 1 +ATOM 2640 C CA . VAL B 1 101 ? 61.867 21.427 27.578 1.00 4.76 ? 101 VAL B CA 1 +ATOM 2641 C C . VAL B 1 101 ? 61.477 21.415 29.051 1.00 4.72 ? 101 VAL B C 1 +ATOM 2642 O O . VAL B 1 101 ? 62.043 20.657 29.845 1.00 4.72 ? 101 VAL B O 1 +ATOM 2643 C CB . VAL B 1 101 ? 61.421 20.093 26.927 1.00 4.88 ? 101 VAL B CB 1 +ATOM 2644 C CG1 . VAL B 1 101 ? 59.931 19.862 27.165 1.00 5.17 ? 101 VAL B CG1 1 +ATOM 2645 C CG2 . VAL B 1 101 ? 61.720 20.121 25.433 1.00 4.89 ? 101 VAL B CG2 1 +ATOM 2646 N N . ASP B 1 102 ? 60.531 22.280 29.406 1.00 4.60 ? 102 ASP B N 1 +ATOM 2647 C CA . ASP B 1 102 ? 60.018 22.380 30.771 1.00 4.56 ? 102 ASP B CA 1 +ATOM 2648 C C . ASP B 1 102 ? 58.642 21.710 30.705 1.00 4.63 ? 102 ASP B C 1 +ATOM 2649 O O . ASP B 1 102 ? 57.683 22.305 30.207 1.00 4.79 ? 102 ASP B O 1 +ATOM 2650 C CB . ASP B 1 102 ? 59.852 23.856 31.175 1.00 4.90 ? 102 ASP B CB 1 +ATOM 2651 C CG . ASP B 1 102 ? 61.184 24.604 31.320 1.00 4.88 ? 102 ASP B CG 1 +ATOM 2652 O OD1 . ASP B 1 102 ? 62.209 24.201 30.721 1.00 5.40 ? 102 ASP B OD1 1 +ATOM 2653 O OD2 . ASP B 1 102 ? 61.196 25.632 32.033 1.00 5.68 ? 102 ASP B OD2 1 +ATOM 2654 N N . VAL B 1 103 ? 58.547 20.475 31.191 1.00 4.47 ? 103 VAL B N 1 +ATOM 2655 C CA . VAL B 1 103 ? 57.287 19.731 31.146 1.00 4.47 ? 103 VAL B CA 1 +ATOM 2656 C C . VAL B 1 103 ? 56.530 19.779 32.471 1.00 4.44 ? 103 VAL B C 1 +ATOM 2657 O O . VAL B 1 103 ? 57.140 19.811 33.540 1.00 4.33 ? 103 VAL B O 1 +ATOM 2658 C CB . VAL B 1 103 ? 57.540 18.246 30.767 1.00 4.53 ? 103 VAL B CB 1 +ATOM 2659 C CG1 . VAL B 1 103 ? 58.347 17.554 31.860 1.00 5.19 ? 103 VAL B CG1 1 +ATOM 2660 C CG2 . VAL B 1 103 ? 56.217 17.523 30.530 1.00 5.29 ? 103 VAL B CG2 1 +ATOM 2661 N N . VAL B 1 104 ? 55.200 19.785 32.405 1.00 4.40 ? 104 VAL B N 1 +ATOM 2662 C CA . VAL B 1 104 ? 54.415 19.815 33.631 1.00 4.47 ? 104 VAL B CA 1 +ATOM 2663 C C . VAL B 1 104 ? 54.141 18.410 34.152 1.00 4.69 ? 104 VAL B C 1 +ATOM 2664 O O . VAL B 1 104 ? 53.605 17.555 33.444 1.00 4.91 ? 104 VAL B O 1 +ATOM 2665 C CB . VAL B 1 104 ? 53.059 20.532 33.448 1.00 4.53 ? 104 VAL B CB 1 +ATOM 2666 C CG1 . VAL B 1 104 ? 52.366 20.661 34.802 1.00 4.59 ? 104 VAL B CG1 1 +ATOM 2667 C CG2 . VAL B 1 104 ? 53.268 21.910 32.833 1.00 4.54 ? 104 VAL B CG2 1 +ATOM 2668 N N . PHE B 1 105 ? 54.532 18.194 35.401 1.00 4.73 ? 105 PHE B N 1 +ATOM 2669 C CA . PHE B 1 105 ? 54.353 16.929 36.098 1.00 5.05 ? 105 PHE B CA 1 +ATOM 2670 C C . PHE B 1 105 ? 52.851 16.706 36.307 1.00 5.20 ? 105 PHE B C 1 +ATOM 2671 O O . PHE B 1 105 ? 52.101 17.663 36.487 1.00 4.88 ? 105 PHE B O 1 +ATOM 2672 C CB . PHE B 1 105 ? 55.085 17.036 37.444 1.00 5.43 ? 105 PHE B CB 1 +ATOM 2673 C CG . PHE B 1 105 ? 55.035 15.795 38.287 1.00 6.01 ? 105 PHE B CG 1 +ATOM 2674 C CD1 . PHE B 1 105 ? 53.966 15.557 39.145 1.00 6.31 ? 105 PHE B CD1 1 +ATOM 2675 C CD2 . PHE B 1 105 ? 56.083 14.880 38.248 1.00 6.29 ? 105 PHE B CD2 1 +ATOM 2676 C CE1 . PHE B 1 105 ? 53.945 14.422 39.958 1.00 6.61 ? 105 PHE B CE1 1 +ATOM 2677 C CE2 . PHE B 1 105 ? 56.074 13.747 39.053 1.00 6.68 ? 105 PHE B CE2 1 +ATOM 2678 C CZ . PHE B 1 105 ? 55.000 13.518 39.912 1.00 6.70 ? 105 PHE B CZ 1 +ATOM 2679 N N . PRO B 1 106 ? 52.386 15.446 36.252 1.00 5.17 ? 106 PRO B N 1 +ATOM 2680 C CA . PRO B 1 106 ? 50.953 15.191 36.458 1.00 5.56 ? 106 PRO B CA 1 +ATOM 2681 C C . PRO B 1 106 ? 50.656 15.276 37.954 1.00 5.95 ? 106 PRO B C 1 +ATOM 2682 O O . PRO B 1 106 ? 50.465 14.262 38.638 1.00 6.00 ? 106 PRO B O 1 +ATOM 2683 C CB . PRO B 1 106 ? 50.764 13.787 35.878 1.00 5.52 ? 106 PRO B CB 1 +ATOM 2684 C CG . PRO B 1 106 ? 52.080 13.138 36.125 1.00 5.53 ? 106 PRO B CG 1 +ATOM 2685 C CD . PRO B 1 106 ? 53.082 14.227 35.802 1.00 5.39 ? 106 PRO B CD 1 +ATOM 2686 N N . TYR B 1 107 ? 50.627 16.509 38.452 1.00 6.17 ? 107 TYR B N 1 +ATOM 2687 C CA . TYR B 1 107 ? 50.408 16.761 39.868 1.00 6.22 ? 107 TYR B CA 1 +ATOM 2688 C C . TYR B 1 107 ? 49.027 16.390 40.397 1.00 6.65 ? 107 TYR B C 1 +ATOM 2689 O O . TYR B 1 107 ? 48.908 15.983 41.554 1.00 6.60 ? 107 TYR B O 1 +ATOM 2690 C CB . TYR B 1 107 ? 50.761 18.223 40.205 1.00 6.23 ? 107 TYR B CB 1 +ATOM 2691 C CG . TYR B 1 107 ? 49.878 19.271 39.572 1.00 6.18 ? 107 TYR B CG 1 +ATOM 2692 C CD1 . TYR B 1 107 ? 48.692 19.672 40.184 1.00 6.09 ? 107 TYR B CD1 1 +ATOM 2693 C CD2 . TYR B 1 107 ? 50.238 19.878 38.370 1.00 6.08 ? 107 TYR B CD2 1 +ATOM 2694 C CE1 . TYR B 1 107 ? 47.887 20.655 39.617 1.00 6.27 ? 107 TYR B CE1 1 +ATOM 2695 C CE2 . TYR B 1 107 ? 49.442 20.861 37.794 1.00 6.22 ? 107 TYR B CE2 1 +ATOM 2696 C CZ . TYR B 1 107 ? 48.270 21.247 38.423 1.00 6.16 ? 107 TYR B CZ 1 +ATOM 2697 O OH . TYR B 1 107 ? 47.488 22.234 37.870 1.00 6.41 ? 107 TYR B OH 1 +ATOM 2698 N N . ARG B 1 108 ? 47.987 16.514 39.578 1.00 6.90 ? 108 ARG B N 1 +ATOM 2699 C CA . ARG B 1 108 ? 46.657 16.141 40.048 1.00 7.46 ? 108 ARG B CA 1 +ATOM 2700 C C . ARG B 1 108 ? 46.599 14.631 40.251 1.00 7.21 ? 108 ARG B C 1 +ATOM 2701 O O . ARG B 1 108 ? 45.945 14.146 41.170 1.00 7.12 ? 108 ARG B O 1 +ATOM 2702 C CB . ARG B 1 108 ? 45.573 16.592 39.065 1.00 8.54 ? 108 ARG B CB 1 +ATOM 2703 C CG . ARG B 1 108 ? 45.314 18.095 39.099 1.00 10.26 ? 108 ARG B CG 1 +ATOM 2704 C CD . ARG B 1 108 ? 44.067 18.456 38.307 1.00 12.01 ? 108 ARG B CD 1 +ATOM 2705 N NE . ARG B 1 108 ? 44.148 17.962 36.936 1.00 13.75 ? 108 ARG B NE 1 +ATOM 2706 C CZ . ARG B 1 108 ? 45.040 18.381 36.046 1.00 14.35 ? 108 ARG B CZ 1 +ATOM 2707 N NH1 . ARG B 1 108 ? 45.924 19.311 36.382 1.00 15.40 ? 108 ARG B NH1 1 +ATOM 2708 N NH2 . ARG B 1 108 ? 45.061 17.859 34.829 1.00 14.52 ? 108 ARG B NH2 1 +ATOM 2709 N N . ALA B 1 109 ? 47.298 13.884 39.402 1.00 6.95 ? 109 ALA B N 1 +ATOM 2710 C CA . ALA B 1 109 ? 47.321 12.433 39.540 1.00 6.87 ? 109 ALA B CA 1 +ATOM 2711 C C . ALA B 1 109 ? 48.004 12.066 40.858 1.00 6.93 ? 109 ALA B C 1 +ATOM 2712 O O . ALA B 1 109 ? 47.559 11.162 41.564 1.00 6.86 ? 109 ALA B O 1 +ATOM 2713 C CB . ALA B 1 109 ? 48.060 11.805 38.366 1.00 6.83 ? 109 ALA B CB 1 +ATOM 2714 N N . LEU B 1 110 ? 49.083 12.774 41.191 1.00 6.96 ? 110 LEU B N 1 +ATOM 2715 C CA . LEU B 1 110 ? 49.806 12.524 42.435 1.00 7.22 ? 110 LEU B CA 1 +ATOM 2716 C C . LEU B 1 110 ? 48.914 12.839 43.632 1.00 7.58 ? 110 LEU B C 1 +ATOM 2717 O O . LEU B 1 110 ? 48.926 12.125 44.634 1.00 7.64 ? 110 LEU B O 1 +ATOM 2718 C CB . LEU B 1 110 ? 51.072 13.383 42.504 1.00 7.18 ? 110 LEU B CB 1 +ATOM 2719 C CG . LEU B 1 110 ? 51.850 13.281 43.819 1.00 7.32 ? 110 LEU B CG 1 +ATOM 2720 C CD1 . LEU B 1 110 ? 52.351 11.859 44.008 1.00 7.77 ? 110 LEU B CD1 1 +ATOM 2721 C CD2 . LEU B 1 110 ? 53.009 14.256 43.811 1.00 7.43 ? 110 LEU B CD2 1 +ATOM 2722 N N . MET B 1 111 ? 48.152 13.921 43.528 1.00 7.97 ? 111 MET B N 1 +ATOM 2723 C CA . MET B 1 111 ? 47.245 14.314 44.598 1.00 8.64 ? 111 MET B CA 1 +ATOM 2724 C C . MET B 1 111 ? 46.175 13.240 44.762 1.00 8.72 ? 111 MET B C 1 +ATOM 2725 O O . MET B 1 111 ? 45.606 13.074 45.845 1.00 8.93 ? 111 MET B O 1 +ATOM 2726 C CB . MET B 1 111 ? 46.618 15.672 44.271 1.00 8.86 ? 111 MET B CB 1 +ATOM 2727 C CG . MET B 1 111 ? 47.631 16.814 44.315 1.00 9.80 ? 111 MET B CG 1 +ATOM 2728 S SD . MET B 1 111 ? 47.081 18.371 43.588 1.00 10.61 ? 111 MET B SD 1 +ATOM 2729 C CE . MET B 1 111 ? 46.207 19.087 44.964 1.00 11.01 ? 111 MET B CE 1 +ATOM 2730 N N . ALA B 1 112 ? 45.923 12.497 43.686 1.00 8.91 ? 112 ALA B N 1 +ATOM 2731 C CA . ALA B 1 112 ? 44.937 11.422 43.698 1.00 9.09 ? 112 ALA B CA 1 +ATOM 2732 C C . ALA B 1 112 ? 45.584 10.099 44.114 1.00 9.15 ? 112 ALA B C 1 +ATOM 2733 O O . ALA B 1 112 ? 44.971 9.035 44.009 1.00 9.89 ? 112 ALA B O 1 +ATOM 2734 C CB . ALA B 1 112 ? 44.288 11.289 42.319 1.00 9.06 ? 112 ALA B CB 1 +ATOM 2735 N N . GLY B 1 113 ? 46.829 10.170 44.574 1.00 9.01 ? 113 GLY B N 1 +ATOM 2736 C CA . GLY B 1 113 ? 47.518 8.977 45.035 1.00 8.68 ? 113 GLY B CA 1 +ATOM 2737 C C . GLY B 1 113 ? 48.262 8.156 44.002 1.00 8.51 ? 113 GLY B C 1 +ATOM 2738 O O . GLY B 1 113 ? 48.716 7.057 44.308 1.00 8.79 ? 113 GLY B O 1 +ATOM 2739 N N . ASN B 1 114 ? 48.399 8.678 42.787 1.00 8.19 ? 114 ASN B N 1 +ATOM 2740 C CA . ASN B 1 114 ? 49.105 7.956 41.729 1.00 7.91 ? 114 ASN B CA 1 +ATOM 2741 C C . ASN B 1 114 ? 50.505 8.534 41.533 1.00 8.00 ? 114 ASN B C 1 +ATOM 2742 O O . ASN B 1 114 ? 50.667 9.600 40.938 1.00 8.05 ? 114 ASN B O 1 +ATOM 2743 C CB . ASN B 1 114 ? 48.325 8.056 40.417 1.00 7.68 ? 114 ASN B CB 1 +ATOM 2744 C CG . ASN B 1 114 ? 48.912 7.191 39.317 1.00 7.43 ? 114 ASN B CG 1 +ATOM 2745 O OD1 . ASN B 1 114 ? 50.060 6.759 39.392 1.00 7.51 ? 114 ASN B OD1 1 +ATOM 2746 N ND2 . ASN B 1 114 ? 48.128 6.954 38.277 1.00 7.65 ? 114 ASN B ND2 1 +ATOM 2747 N N . GLU B 1 115 ? 51.516 7.832 42.032 1.00 8.14 ? 115 GLU B N 1 +ATOM 2748 C CA . GLU B 1 115 ? 52.893 8.295 41.896 1.00 8.45 ? 115 GLU B CA 1 +ATOM 2749 C C . GLU B 1 115 ? 53.564 7.725 40.652 1.00 8.25 ? 115 GLU B C 1 +ATOM 2750 O O . GLU B 1 115 ? 54.501 8.316 40.115 1.00 8.21 ? 115 GLU B O 1 +ATOM 2751 C CB . GLU B 1 115 ? 53.721 7.899 43.122 1.00 9.36 ? 115 GLU B CB 1 +ATOM 2752 C CG . GLU B 1 115 ? 53.122 8.311 44.455 1.00 10.68 ? 115 GLU B CG 1 +ATOM 2753 C CD . GLU B 1 115 ? 54.061 8.044 45.617 1.00 11.58 ? 115 GLU B CD 1 +ATOM 2754 O OE1 . GLU B 1 115 ? 54.965 7.194 45.472 1.00 12.42 ? 115 GLU B OE1 1 +ATOM 2755 O OE2 . GLU B 1 115 ? 53.885 8.677 46.678 1.00 12.57 ? 115 GLU B OE2 1 +ATOM 2756 N N . GLN B 1 116 ? 53.074 6.581 40.187 1.00 7.81 ? 116 GLN B N 1 +ATOM 2757 C CA . GLN B 1 116 ? 53.662 5.923 39.028 1.00 7.77 ? 116 GLN B CA 1 +ATOM 2758 C C . GLN B 1 116 ? 53.531 6.674 37.713 1.00 7.28 ? 116 GLN B C 1 +ATOM 2759 O O . GLN B 1 116 ? 54.484 6.730 36.941 1.00 7.35 ? 116 GLN B O 1 +ATOM 2760 C CB . GLN B 1 116 ? 53.070 4.523 38.854 1.00 8.03 ? 116 GLN B CB 1 +ATOM 2761 C CG . GLN B 1 116 ? 53.883 3.644 37.919 1.00 9.23 ? 116 GLN B CG 1 +ATOM 2762 C CD . GLN B 1 116 ? 55.291 3.419 38.434 1.00 9.81 ? 116 GLN B CD 1 +ATOM 2763 O OE1 . GLN B 1 116 ? 55.479 2.966 39.562 1.00 10.64 ? 116 GLN B OE1 1 +ATOM 2764 N NE2 . GLN B 1 116 ? 56.288 3.735 37.613 1.00 10.31 ? 116 GLN B NE2 1 +ATOM 2765 N N . VAL B 1 117 ? 52.365 7.248 37.444 1.00 7.05 ? 117 VAL B N 1 +ATOM 2766 C CA . VAL B 1 117 ? 52.191 7.954 36.185 1.00 6.82 ? 117 VAL B CA 1 +ATOM 2767 C C . VAL B 1 117 ? 53.167 9.127 36.070 1.00 6.69 ? 117 VAL B C 1 +ATOM 2768 O O . VAL B 1 117 ? 53.704 9.383 34.994 1.00 6.54 ? 117 VAL B O 1 +ATOM 2769 C CB . VAL B 1 117 ? 50.720 8.428 35.995 1.00 6.79 ? 117 VAL B CB 1 +ATOM 2770 C CG1 . VAL B 1 117 ? 50.360 9.498 37.016 1.00 6.96 ? 117 VAL B CG1 1 +ATOM 2771 C CG2 . VAL B 1 117 ? 50.519 8.933 34.571 1.00 7.12 ? 117 VAL B CG2 1 +ATOM 2772 N N . GLY B 1 118 ? 53.417 9.821 37.179 1.00 6.55 ? 118 GLY B N 1 +ATOM 2773 C CA . GLY B 1 118 ? 54.349 10.938 37.152 1.00 6.32 ? 118 GLY B CA 1 +ATOM 2774 C C . GLY B 1 118 ? 55.764 10.475 36.855 1.00 6.22 ? 118 GLY B C 1 +ATOM 2775 O O . GLY B 1 118 ? 56.496 11.119 36.101 1.00 6.09 ? 118 GLY B O 1 +ATOM 2776 N N . PHE B 1 119 ? 56.160 9.355 37.451 1.00 6.22 ? 119 PHE B N 1 +ATOM 2777 C CA . PHE B 1 119 ? 57.490 8.816 37.216 1.00 6.12 ? 119 PHE B CA 1 +ATOM 2778 C C . PHE B 1 119 ? 57.618 8.441 35.741 1.00 6.07 ? 119 PHE B C 1 +ATOM 2779 O O . PHE B 1 119 ? 58.575 8.829 35.074 1.00 5.68 ? 119 PHE B O 1 +ATOM 2780 C CB . PHE B 1 119 ? 57.731 7.586 38.102 1.00 6.31 ? 119 PHE B CB 1 +ATOM 2781 C CG . PHE B 1 119 ? 59.065 6.924 37.878 1.00 6.47 ? 119 PHE B CG 1 +ATOM 2782 C CD1 . PHE B 1 119 ? 59.242 6.012 36.838 1.00 6.74 ? 119 PHE B CD1 1 +ATOM 2783 C CD2 . PHE B 1 119 ? 60.153 7.228 38.690 1.00 6.78 ? 119 PHE B CD2 1 +ATOM 2784 C CE1 . PHE B 1 119 ? 60.482 5.414 36.612 1.00 6.97 ? 119 PHE B CE1 1 +ATOM 2785 C CE2 . PHE B 1 119 ? 61.398 6.635 38.471 1.00 6.95 ? 119 PHE B CE2 1 +ATOM 2786 C CZ . PHE B 1 119 ? 61.561 5.727 37.429 1.00 7.02 ? 119 PHE B CZ 1 +ATOM 2787 N N . ASP B 1 120 ? 56.643 7.699 35.228 1.00 6.07 ? 120 ASP B N 1 +ATOM 2788 C CA . ASP B 1 120 ? 56.681 7.278 33.832 1.00 6.46 ? 120 ASP B CA 1 +ATOM 2789 C C . ASP B 1 120 ? 56.624 8.436 32.842 1.00 6.17 ? 120 ASP B C 1 +ATOM 2790 O O . ASP B 1 120 ? 57.282 8.395 31.804 1.00 6.09 ? 120 ASP B O 1 +ATOM 2791 C CB . ASP B 1 120 ? 55.540 6.300 33.535 1.00 7.21 ? 120 ASP B CB 1 +ATOM 2792 C CG . ASP B 1 120 ? 55.743 4.942 34.186 1.00 8.02 ? 120 ASP B CG 1 +ATOM 2793 O OD1 . ASP B 1 120 ? 56.781 4.733 34.845 1.00 9.08 ? 120 ASP B OD1 1 +ATOM 2794 O OD2 . ASP B 1 120 ? 54.854 4.078 34.028 1.00 9.34 ? 120 ASP B OD2 1 +ATOM 2795 N N . LEU B 1 121 ? 55.839 9.464 33.153 1.00 6.05 ? 121 LEU B N 1 +ATOM 2796 C CA . LEU B 1 121 ? 55.725 10.602 32.245 1.00 6.03 ? 121 LEU B CA 1 +ATOM 2797 C C . LEU B 1 121 ? 57.047 11.354 32.151 1.00 5.95 ? 121 LEU B C 1 +ATOM 2798 O O . LEU B 1 121 ? 57.512 11.669 31.059 1.00 5.96 ? 121 LEU B O 1 +ATOM 2799 C CB . LEU B 1 121 ? 54.602 11.539 32.703 1.00 6.12 ? 121 LEU B CB 1 +ATOM 2800 C CG . LEU B 1 121 ? 54.149 12.612 31.704 1.00 6.08 ? 121 LEU B CG 1 +ATOM 2801 C CD1 . LEU B 1 121 ? 52.688 12.971 31.961 1.00 6.48 ? 121 LEU B CD1 1 +ATOM 2802 C CD2 . LEU B 1 121 ? 55.035 13.839 31.811 1.00 6.24 ? 121 LEU B CD2 1 +ATOM 2803 N N . VAL B 1 122 ? 57.657 11.635 33.297 1.00 5.88 ? 122 VAL B N 1 +ATOM 2804 C CA . VAL B 1 122 ? 58.932 12.336 33.305 1.00 6.12 ? 122 VAL B CA 1 +ATOM 2805 C C . VAL B 1 122 ? 60.010 11.488 32.631 1.00 6.35 ? 122 VAL B C 1 +ATOM 2806 O O . VAL B 1 122 ? 60.781 11.988 31.812 1.00 6.72 ? 122 VAL B O 1 +ATOM 2807 C CB . VAL B 1 122 ? 59.380 12.672 34.750 1.00 5.75 ? 122 VAL B CB 1 +ATOM 2808 C CG1 . VAL B 1 122 ? 60.816 13.183 34.749 1.00 5.77 ? 122 VAL B CG1 1 +ATOM 2809 C CG2 . VAL B 1 122 ? 58.456 13.725 35.345 1.00 6.08 ? 122 VAL B CG2 1 +ATOM 2810 N N . LYS B 1 123 ? 60.055 10.202 32.962 1.00 6.65 ? 123 LYS B N 1 +ATOM 2811 C CA . LYS B 1 123 ? 61.054 9.316 32.384 1.00 7.07 ? 123 LYS B CA 1 +ATOM 2812 C C . LYS B 1 123 ? 60.971 9.266 30.860 1.00 6.91 ? 123 LYS B C 1 +ATOM 2813 O O . LYS B 1 123 ? 61.993 9.329 30.177 1.00 6.96 ? 123 LYS B O 1 +ATOM 2814 C CB . LYS B 1 123 ? 60.905 7.907 32.965 1.00 7.76 ? 123 LYS B CB 1 +ATOM 2815 C CG . LYS B 1 123 ? 61.962 6.922 32.482 1.00 9.00 ? 123 LYS B CG 1 +ATOM 2816 C CD . LYS B 1 123 ? 61.819 5.583 33.187 1.00 10.41 ? 123 LYS B CD 1 +ATOM 2817 C CE . LYS B 1 123 ? 62.845 4.578 32.692 1.00 11.53 ? 123 LYS B CE 1 +ATOM 2818 N NZ . LYS B 1 123 ? 62.672 3.270 33.382 1.00 12.91 ? 123 LYS B NZ 1 +ATOM 2819 N N . ALA B 1 124 ? 59.757 9.156 30.331 1.00 6.49 ? 124 ALA B N 1 +ATOM 2820 C CA . ALA B 1 124 ? 59.564 9.094 28.886 1.00 6.51 ? 124 ALA B CA 1 +ATOM 2821 C C . ALA B 1 124 ? 60.065 10.370 28.220 1.00 6.47 ? 124 ALA B C 1 +ATOM 2822 O O . ALA B 1 124 ? 60.753 10.322 27.200 1.00 6.61 ? 124 ALA B O 1 +ATOM 2823 C CB . ALA B 1 124 ? 58.090 8.877 28.565 1.00 6.70 ? 124 ALA B CB 1 +ATOM 2824 N N . CYS B 1 125 ? 59.720 11.515 28.800 1.00 6.43 ? 125 CYS B N 1 +ATOM 2825 C CA . CYS B 1 125 ? 60.145 12.786 28.236 1.00 6.65 ? 125 CYS B CA 1 +ATOM 2826 C C . CYS B 1 125 ? 61.651 12.976 28.368 1.00 6.66 ? 125 CYS B C 1 +ATOM 2827 O O . CYS B 1 125 ? 62.290 13.517 27.466 1.00 6.78 ? 125 CYS B O 1 +ATOM 2828 C CB . CYS B 1 125 ? 59.387 13.940 28.899 1.00 6.69 ? 125 CYS B CB 1 +ATOM 2829 S SG . CYS B 1 125 ? 57.607 13.964 28.505 1.00 7.25 ? 125 CYS B SG 1 +ATOM 2830 N N . LYS B 1 126 ? 62.222 12.528 29.484 1.00 6.81 ? 126 LYS B N 1 +ATOM 2831 C CA . LYS B 1 126 ? 63.664 12.646 29.687 1.00 7.11 ? 126 LYS B CA 1 +ATOM 2832 C C . LYS B 1 126 ? 64.409 11.800 28.660 1.00 7.48 ? 126 LYS B C 1 +ATOM 2833 O O . LYS B 1 126 ? 65.418 12.230 28.116 1.00 7.49 ? 126 LYS B O 1 +ATOM 2834 C CB . LYS B 1 126 ? 64.057 12.202 31.103 1.00 6.96 ? 126 LYS B CB 1 +ATOM 2835 C CG . LYS B 1 126 ? 65.568 12.068 31.331 1.00 7.16 ? 126 LYS B CG 1 +ATOM 2836 C CD . LYS B 1 126 ? 66.307 13.389 31.132 1.00 7.37 ? 126 LYS B CD 1 +ATOM 2837 C CE . LYS B 1 126 ? 67.814 13.240 31.340 1.00 7.66 ? 126 LYS B CE 1 +ATOM 2838 N NZ . LYS B 1 126 ? 68.187 12.915 32.748 1.00 8.38 ? 126 LYS B NZ 1 +ATOM 2839 N N . GLU B 1 127 ? 63.910 10.597 28.397 1.00 7.87 ? 127 GLU B N 1 +ATOM 2840 C CA . GLU B 1 127 ? 64.552 9.715 27.427 1.00 8.45 ? 127 GLU B CA 1 +ATOM 2841 C C . GLU B 1 127 ? 64.610 10.379 26.054 1.00 8.04 ? 127 GLU B C 1 +ATOM 2842 O O . GLU B 1 127 ? 65.644 10.351 25.380 1.00 8.17 ? 127 GLU B O 1 +ATOM 2843 C CB . GLU B 1 127 ? 63.801 8.382 27.346 1.00 9.67 ? 127 GLU B CB 1 +ATOM 2844 C CG . GLU B 1 127 ? 64.079 7.443 28.518 1.00 11.98 ? 127 GLU B CG 1 +ATOM 2845 C CD . GLU B 1 127 ? 63.364 6.111 28.380 1.00 13.26 ? 127 GLU B CD 1 +ATOM 2846 O OE1 . GLU B 1 127 ? 63.395 5.531 27.272 1.00 14.57 ? 127 GLU B OE1 1 +ATOM 2847 O OE2 . GLU B 1 127 ? 62.784 5.636 29.380 1.00 14.90 ? 127 GLU B OE2 1 +ATOM 2848 N N . ALA B 1 128 ? 63.502 10.991 25.652 1.00 7.55 ? 128 ALA B N 1 +ATOM 2849 C CA . ALA B 1 128 ? 63.427 11.674 24.368 1.00 7.23 ? 128 ALA B CA 1 +ATOM 2850 C C . ALA B 1 128 ? 64.389 12.866 24.327 1.00 7.13 ? 128 ALA B C 1 +ATOM 2851 O O . ALA B 1 128 ? 65.139 13.042 23.363 1.00 6.99 ? 128 ALA B O 1 +ATOM 2852 C CB . ALA B 1 128 ? 61.999 12.143 24.124 1.00 7.26 ? 128 ALA B CB 1 +ATOM 2853 N N . CYS B 1 129 ? 64.370 13.683 25.373 1.00 6.99 ? 129 CYS B N 1 +ATOM 2854 C CA . CYS B 1 129 ? 65.236 14.852 25.431 1.00 7.02 ? 129 CYS B CA 1 +ATOM 2855 C C . CYS B 1 129 ? 66.717 14.488 25.475 1.00 7.24 ? 129 CYS B C 1 +ATOM 2856 O O . CYS B 1 129 ? 67.525 15.065 24.746 1.00 7.19 ? 129 CYS B O 1 +ATOM 2857 C CB . CYS B 1 129 ? 64.879 15.713 26.645 1.00 6.60 ? 129 CYS B CB 1 +ATOM 2858 S SG . CYS B 1 129 ? 63.292 16.569 26.506 1.00 6.40 ? 129 CYS B SG 1 +ATOM 2859 N N . ALA B 1 130 ? 67.073 13.538 26.334 1.00 7.62 ? 130 ALA B N 1 +ATOM 2860 C CA . ALA B 1 130 ? 68.465 13.119 26.459 1.00 8.04 ? 130 ALA B CA 1 +ATOM 2861 C C . ALA B 1 130 ? 69.022 12.643 25.121 1.00 8.23 ? 130 ALA B C 1 +ATOM 2862 O O . ALA B 1 130 ? 70.153 12.970 24.764 1.00 8.38 ? 130 ALA B O 1 +ATOM 2863 C CB . ALA B 1 130 ? 68.588 12.019 27.497 1.00 8.29 ? 130 ALA B CB 1 +ATOM 2864 N N . ALA B 1 131 ? 68.226 11.878 24.381 1.00 8.40 ? 131 ALA B N 1 +ATOM 2865 C CA . ALA B 1 131 ? 68.659 11.363 23.084 1.00 8.66 ? 131 ALA B CA 1 +ATOM 2866 C C . ALA B 1 131 ? 68.916 12.487 22.083 1.00 8.90 ? 131 ALA B C 1 +ATOM 2867 O O . ALA B 1 131 ? 69.661 12.306 21.116 1.00 9.09 ? 131 ALA B O 1 +ATOM 2868 C CB . ALA B 1 131 ? 67.616 10.401 22.529 1.00 8.86 ? 131 ALA B CB 1 +ATOM 2869 N N . ALA B 1 132 ? 68.307 13.645 22.318 1.00 8.78 ? 132 ALA B N 1 +ATOM 2870 C CA . ALA B 1 132 ? 68.470 14.792 21.430 1.00 8.79 ? 132 ALA B CA 1 +ATOM 2871 C C . ALA B 1 132 ? 69.355 15.880 22.032 1.00 8.89 ? 132 ALA B C 1 +ATOM 2872 O O . ALA B 1 132 ? 69.431 16.989 21.501 1.00 8.67 ? 132 ALA B O 1 +ATOM 2873 C CB . ALA B 1 132 ? 67.099 15.375 21.073 1.00 8.64 ? 132 ALA B CB 1 +ATOM 2874 N N . ASN B 1 133 ? 70.021 15.559 23.137 1.00 9.02 ? 133 ASN B N 1 +ATOM 2875 C CA . ASN B 1 133 ? 70.896 16.509 23.822 1.00 9.47 ? 133 ASN B CA 1 +ATOM 2876 C C . ASN B 1 133 ? 70.119 17.747 24.248 1.00 9.05 ? 133 ASN B C 1 +ATOM 2877 O O . ASN B 1 133 ? 70.590 18.878 24.118 1.00 9.31 ? 133 ASN B O 1 +ATOM 2878 C CB . ASN B 1 133 ? 72.064 16.902 22.917 1.00 10.75 ? 133 ASN B CB 1 +ATOM 2879 C CG . ASN B 1 133 ? 72.915 15.713 22.524 1.00 12.01 ? 133 ASN B CG 1 +ATOM 2880 O OD1 . ASN B 1 133 ? 73.472 15.027 23.380 1.00 13.33 ? 133 ASN B OD1 1 +ATOM 2881 N ND2 . ASN B 1 133 ? 73.016 15.460 21.225 1.00 13.03 ? 133 ASN B ND2 1 +ATOM 2882 N N . VAL B 1 134 ? 68.918 17.504 24.758 1.00 8.08 ? 134 VAL B N 1 +ATOM 2883 C CA . VAL B 1 134 ? 68.018 18.547 25.231 1.00 7.65 ? 134 VAL B CA 1 +ATOM 2884 C C . VAL B 1 134 ? 67.810 18.328 26.726 1.00 7.32 ? 134 VAL B C 1 +ATOM 2885 O O . VAL B 1 134 ? 67.595 17.200 27.160 1.00 7.21 ? 134 VAL B O 1 +ATOM 2886 C CB . VAL B 1 134 ? 66.649 18.449 24.504 1.00 7.43 ? 134 VAL B CB 1 +ATOM 2887 C CG1 . VAL B 1 134 ? 65.617 19.354 25.172 1.00 7.20 ? 134 VAL B CG1 1 +ATOM 2888 C CG2 . VAL B 1 134 ? 66.816 18.829 23.039 1.00 7.66 ? 134 VAL B CG2 1 +ATOM 2889 N N . LEU B 1 135 ? 67.890 19.399 27.510 1.00 6.97 ? 135 LEU B N 1 +ATOM 2890 C CA . LEU B 1 135 ? 67.685 19.290 28.954 1.00 6.95 ? 135 LEU B CA 1 +ATOM 2891 C C . LEU B 1 135 ? 66.196 19.299 29.287 1.00 6.58 ? 135 LEU B C 1 +ATOM 2892 O O . LEU B 1 135 ? 65.401 19.956 28.611 1.00 6.72 ? 135 LEU B O 1 +ATOM 2893 C CB . LEU B 1 135 ? 68.377 20.443 29.692 1.00 7.87 ? 135 LEU B CB 1 +ATOM 2894 C CG . LEU B 1 135 ? 69.907 20.457 29.717 1.00 8.67 ? 135 LEU B CG 1 +ATOM 2895 C CD1 . LEU B 1 135 ? 70.386 21.651 30.524 1.00 9.16 ? 135 LEU B CD1 1 +ATOM 2896 C CD2 . LEU B 1 135 ? 70.429 19.165 30.328 1.00 9.30 ? 135 LEU B CD2 1 +ATOM 2897 N N . LEU B 1 136 ? 65.827 18.575 30.340 1.00 6.06 ? 136 LEU B N 1 +ATOM 2898 C CA . LEU B 1 136 ? 64.435 18.502 30.762 1.00 5.69 ? 136 LEU B CA 1 +ATOM 2899 C C . LEU B 1 136 ? 64.204 19.091 32.148 1.00 5.40 ? 136 LEU B C 1 +ATOM 2900 O O . LEU B 1 136 ? 64.817 18.655 33.127 1.00 5.65 ? 136 LEU B O 1 +ATOM 2901 C CB . LEU B 1 136 ? 63.950 17.049 30.778 1.00 5.76 ? 136 LEU B CB 1 +ATOM 2902 C CG . LEU B 1 136 ? 62.481 16.887 31.188 1.00 5.52 ? 136 LEU B CG 1 +ATOM 2903 C CD1 . LEU B 1 136 ? 61.590 17.269 30.013 1.00 5.61 ? 136 LEU B CD1 1 +ATOM 2904 C CD2 . LEU B 1 136 ? 62.204 15.452 31.619 1.00 5.50 ? 136 LEU B CD2 1 +ATOM 2905 N N . LYS B 1 137 ? 63.333 20.091 32.232 1.00 4.98 ? 137 LYS B N 1 +ATOM 2906 C CA . LYS B 1 137 ? 62.983 20.679 33.522 1.00 4.87 ? 137 LYS B CA 1 +ATOM 2907 C C . LYS B 1 137 ? 61.583 20.147 33.804 1.00 4.76 ? 137 LYS B C 1 +ATOM 2908 O O . LYS B 1 137 ? 60.811 19.923 32.874 1.00 4.92 ? 137 LYS B O 1 +ATOM 2909 C CB . LYS B 1 137 ? 62.932 22.213 33.467 1.00 5.03 ? 137 LYS B CB 1 +ATOM 2910 C CG . LYS B 1 137 ? 64.179 22.901 32.917 1.00 4.99 ? 137 LYS B CG 1 +ATOM 2911 C CD . LYS B 1 137 ? 64.234 24.356 33.376 1.00 5.90 ? 137 LYS B CD 1 +ATOM 2912 C CE . LYS B 1 137 ? 65.218 25.178 32.557 1.00 6.10 ? 137 LYS B CE 1 +ATOM 2913 N NZ . LYS B 1 137 ? 64.642 25.590 31.238 1.00 6.46 ? 137 LYS B NZ 1 +ATOM 2914 N N . VAL B 1 138 ? 61.260 19.928 35.073 1.00 4.52 ? 138 VAL B N 1 +ATOM 2915 C CA . VAL B 1 138 ? 59.940 19.431 35.435 1.00 4.55 ? 138 VAL B CA 1 +ATOM 2916 C C . VAL B 1 138 ? 59.239 20.400 36.378 1.00 4.36 ? 138 VAL B C 1 +ATOM 2917 O O . VAL B 1 138 ? 59.747 20.716 37.457 1.00 4.38 ? 138 VAL B O 1 +ATOM 2918 C CB . VAL B 1 138 ? 60.022 18.039 36.101 1.00 4.53 ? 138 VAL B CB 1 +ATOM 2919 C CG1 . VAL B 1 138 ? 58.617 17.540 36.434 1.00 4.77 ? 138 VAL B CG1 1 +ATOM 2920 C CG2 . VAL B 1 138 ? 60.728 17.059 35.169 1.00 4.81 ? 138 VAL B CG2 1 +ATOM 2921 N N . ILE B 1 139 ? 58.071 20.870 35.944 1.00 4.47 ? 139 ILE B N 1 +ATOM 2922 C CA . ILE B 1 139 ? 57.239 21.806 36.696 1.00 4.58 ? 139 ILE B CA 1 +ATOM 2923 C C . ILE B 1 139 ? 56.316 20.988 37.596 1.00 4.76 ? 139 ILE B C 1 +ATOM 2924 O O . ILE B 1 139 ? 55.496 20.221 37.100 1.00 5.09 ? 139 ILE B O 1 +ATOM 2925 C CB . ILE B 1 139 ? 56.363 22.646 35.733 1.00 4.49 ? 139 ILE B CB 1 +ATOM 2926 C CG1 . ILE B 1 139 ? 57.248 23.390 34.728 1.00 4.73 ? 139 ILE B CG1 1 +ATOM 2927 C CG2 . ILE B 1 139 ? 55.500 23.627 36.528 1.00 5.11 ? 139 ILE B CG2 1 +ATOM 2928 C CD1 . ILE B 1 139 ? 56.480 23.925 33.542 1.00 5.16 ? 139 ILE B CD1 1 +ATOM 2929 N N . ILE B 1 140 ? 56.425 21.143 38.911 1.00 4.88 ? 140 ILE B N 1 +ATOM 2930 C CA . ILE B 1 140 ? 55.557 20.359 39.786 1.00 5.17 ? 140 ILE B CA 1 +ATOM 2931 C C . ILE B 1 140 ? 54.297 21.088 40.256 1.00 5.12 ? 140 ILE B C 1 +ATOM 2932 O O . ILE B 1 140 ? 53.380 20.460 40.785 1.00 5.35 ? 140 ILE B O 1 +ATOM 2933 C CB . ILE B 1 140 ? 56.329 19.813 41.017 1.00 5.31 ? 140 ILE B CB 1 +ATOM 2934 C CG1 . ILE B 1 140 ? 56.839 20.962 41.887 1.00 5.42 ? 140 ILE B CG1 1 +ATOM 2935 C CG2 . ILE B 1 140 ? 57.488 18.940 40.550 1.00 5.66 ? 140 ILE B CG2 1 +ATOM 2936 C CD1 . ILE B 1 140 ? 57.430 20.494 43.212 1.00 6.00 ? 140 ILE B CD1 1 +ATOM 2937 N N . GLU B 1 141 ? 54.249 22.402 40.035 1.00 5.07 ? 141 GLU B N 1 +ATOM 2938 C CA . GLU B 1 141 ? 53.116 23.250 40.423 1.00 5.27 ? 141 GLU B CA 1 +ATOM 2939 C C . GLU B 1 141 ? 52.877 23.260 41.933 1.00 5.49 ? 141 GLU B C 1 +ATOM 2940 O O . GLU B 1 141 ? 51.843 22.804 42.435 1.00 5.49 ? 141 GLU B O 1 +ATOM 2941 C CB . GLU B 1 141 ? 51.837 22.820 39.697 1.00 5.25 ? 141 GLU B CB 1 +ATOM 2942 C CG . GLU B 1 141 ? 50.797 23.934 39.585 1.00 5.20 ? 141 GLU B CG 1 +ATOM 2943 C CD . GLU B 1 141 ? 51.207 25.021 38.600 1.00 5.10 ? 141 GLU B CD 1 +ATOM 2944 O OE1 . GLU B 1 141 ? 52.201 25.737 38.852 1.00 4.77 ? 141 GLU B OE1 1 +ATOM 2945 O OE2 . GLU B 1 141 ? 50.535 25.155 37.555 1.00 5.27 ? 141 GLU B OE2 1 +ATOM 2946 N N . THR B 1 142 ? 53.851 23.808 42.647 1.00 5.56 ? 142 THR B N 1 +ATOM 2947 C CA . THR B 1 142 ? 53.805 23.905 44.098 1.00 5.90 ? 142 THR B CA 1 +ATOM 2948 C C . THR B 1 142 ? 52.540 24.576 44.628 1.00 6.13 ? 142 THR B C 1 +ATOM 2949 O O . THR B 1 142 ? 52.040 24.208 45.690 1.00 5.91 ? 142 THR B O 1 +ATOM 2950 C CB . THR B 1 142 ? 55.039 24.663 44.611 1.00 5.99 ? 142 THR B CB 1 +ATOM 2951 O OG1 . THR B 1 142 ? 55.140 25.922 43.933 1.00 6.21 ? 142 THR B OG1 1 +ATOM 2952 C CG2 . THR B 1 142 ? 56.302 23.852 44.341 1.00 5.92 ? 142 THR B CG2 1 +ATOM 2953 N N . GLY B 1 143 ? 52.033 25.559 43.889 1.00 6.14 ? 143 GLY B N 1 +ATOM 2954 C CA . GLY B 1 143 ? 50.835 26.268 44.303 1.00 6.58 ? 143 GLY B CA 1 +ATOM 2955 C C . GLY B 1 143 ? 49.616 25.373 44.422 1.00 6.99 ? 143 GLY B C 1 +ATOM 2956 O O . GLY B 1 143 ? 48.775 25.577 45.295 1.00 7.58 ? 143 GLY B O 1 +ATOM 2957 N N . GLU B 1 144 ? 49.510 24.380 43.546 1.00 7.11 ? 144 GLU B N 1 +ATOM 2958 C CA . GLU B 1 144 ? 48.375 23.462 43.590 1.00 7.52 ? 144 GLU B CA 1 +ATOM 2959 C C . GLU B 1 144 ? 48.634 22.299 44.548 1.00 7.67 ? 144 GLU B C 1 +ATOM 2960 O O . GLU B 1 144 ? 47.719 21.835 45.226 1.00 7.43 ? 144 GLU B O 1 +ATOM 2961 C CB . GLU B 1 144 ? 48.055 22.948 42.183 1.00 7.93 ? 144 GLU B CB 1 +ATOM 2962 C CG . GLU B 1 144 ? 47.492 24.022 41.256 1.00 8.45 ? 144 GLU B CG 1 +ATOM 2963 C CD . GLU B 1 144 ? 46.207 24.631 41.786 1.00 9.22 ? 144 GLU B CD 1 +ATOM 2964 O OE1 . GLU B 1 144 ? 45.214 23.887 41.932 1.00 10.19 ? 144 GLU B OE1 1 +ATOM 2965 O OE2 . GLU B 1 144 ? 46.185 25.852 42.058 1.00 9.28 ? 144 GLU B OE2 1 +ATOM 2966 N N . LEU B 1 145 ? 49.877 21.830 44.609 1.00 7.87 ? 145 LEU B N 1 +ATOM 2967 C CA . LEU B 1 145 ? 50.220 20.739 45.520 1.00 8.32 ? 145 LEU B CA 1 +ATOM 2968 C C . LEU B 1 145 ? 49.987 21.217 46.953 1.00 8.86 ? 145 LEU B C 1 +ATOM 2969 O O . LEU B 1 145 ? 49.435 20.486 47.779 1.00 8.90 ? 145 LEU B O 1 +ATOM 2970 C CB . LEU B 1 145 ? 51.681 20.316 45.327 1.00 8.05 ? 145 LEU B CB 1 +ATOM 2971 C CG . LEU B 1 145 ? 51.987 19.565 44.026 1.00 7.73 ? 145 LEU B CG 1 +ATOM 2972 C CD1 . LEU B 1 145 ? 53.482 19.304 43.921 1.00 8.01 ? 145 LEU B CD1 1 +ATOM 2973 C CD2 . LEU B 1 145 ? 51.212 18.256 44.005 1.00 7.83 ? 145 LEU B CD2 1 +ATOM 2974 N N . LYS B 1 146 ? 50.425 22.448 47.223 1.00 9.58 ? 146 LYS B N 1 +ATOM 2975 C CA . LYS B 1 146 ? 50.257 23.115 48.514 1.00 10.50 ? 146 LYS B CA 1 +ATOM 2976 C C . LYS B 1 146 ? 50.991 22.535 49.723 1.00 10.65 ? 146 LYS B C 1 +ATOM 2977 O O . LYS B 1 146 ? 51.777 23.232 50.367 1.00 10.78 ? 146 LYS B O 1 +ATOM 2978 C CB . LYS B 1 146 ? 48.765 23.222 48.844 1.00 11.19 ? 146 LYS B CB 1 +ATOM 2979 C CG . LYS B 1 146 ? 47.924 23.811 47.724 1.00 12.68 ? 146 LYS B CG 1 +ATOM 2980 C CD . LYS B 1 146 ? 46.456 23.889 48.114 1.00 13.43 ? 146 LYS B CD 1 +ATOM 2981 C CE . LYS B 1 146 ? 45.560 24.089 46.898 1.00 14.39 ? 146 LYS B CE 1 +ATOM 2982 N NZ . LYS B 1 146 ? 45.512 22.876 46.026 1.00 14.55 ? 146 LYS B NZ 1 +ATOM 2983 N N . ASP B 1 147 ? 50.726 21.271 50.038 1.00 10.88 ? 147 ASP B N 1 +ATOM 2984 C CA . ASP B 1 147 ? 51.341 20.623 51.193 1.00 11.25 ? 147 ASP B CA 1 +ATOM 2985 C C . ASP B 1 147 ? 52.817 20.301 51.000 1.00 10.82 ? 147 ASP B C 1 +ATOM 2986 O O . ASP B 1 147 ? 53.222 19.819 49.943 1.00 10.43 ? 147 ASP B O 1 +ATOM 2987 C CB . ASP B 1 147 ? 50.579 19.342 51.531 1.00 12.41 ? 147 ASP B CB 1 +ATOM 2988 C CG . ASP B 1 147 ? 49.097 19.585 51.733 1.00 13.68 ? 147 ASP B CG 1 +ATOM 2989 O OD1 . ASP B 1 147 ? 48.746 20.503 52.502 1.00 14.67 ? 147 ASP B OD1 1 +ATOM 2990 O OD2 . ASP B 1 147 ? 48.284 18.854 51.126 1.00 15.08 ? 147 ASP B OD2 1 +ATOM 2991 N N . GLU B 1 148 ? 53.617 20.553 52.034 1.00 10.54 ? 148 GLU B N 1 +ATOM 2992 C CA . GLU B 1 148 ? 55.050 20.294 51.967 1.00 10.46 ? 148 GLU B CA 1 +ATOM 2993 C C . GLU B 1 148 ? 55.356 18.855 51.561 1.00 10.11 ? 148 GLU B C 1 +ATOM 2994 O O . GLU B 1 148 ? 56.237 18.616 50.738 1.00 9.85 ? 148 GLU B O 1 +ATOM 2995 C CB . GLU B 1 148 ? 55.721 20.599 53.311 1.00 11.27 ? 148 GLU B CB 1 +ATOM 2996 C CG . GLU B 1 148 ? 57.242 20.596 53.231 1.00 12.49 ? 148 GLU B CG 1 +ATOM 2997 C CD . GLU B 1 148 ? 57.914 20.870 54.562 1.00 13.19 ? 148 GLU B CD 1 +ATOM 2998 O OE1 . GLU B 1 148 ? 57.294 21.527 55.425 1.00 14.20 ? 148 GLU B OE1 1 +ATOM 2999 O OE2 . GLU B 1 148 ? 59.074 20.441 54.734 1.00 14.11 ? 148 GLU B OE2 1 +ATOM 3000 N N . ALA B 1 149 ? 54.630 17.901 52.136 1.00 9.70 ? 149 ALA B N 1 +ATOM 3001 C CA . ALA B 1 149 ? 54.846 16.495 51.816 1.00 9.29 ? 149 ALA B CA 1 +ATOM 3002 C C . ALA B 1 149 ? 54.652 16.228 50.328 1.00 8.87 ? 149 ALA B C 1 +ATOM 3003 O O . ALA B 1 149 ? 55.444 15.511 49.716 1.00 8.82 ? 149 ALA B O 1 +ATOM 3004 C CB . ALA B 1 149 ? 53.907 15.621 52.626 1.00 9.54 ? 149 ALA B CB 1 +ATOM 3005 N N . LEU B 1 150 ? 53.601 16.797 49.746 1.00 8.52 ? 150 LEU B N 1 +ATOM 3006 C CA . LEU B 1 150 ? 53.338 16.601 48.325 1.00 8.30 ? 150 LEU B CA 1 +ATOM 3007 C C . LEU B 1 150 ? 54.380 17.283 47.448 1.00 7.97 ? 150 LEU B C 1 +ATOM 3008 O O . LEU B 1 150 ? 54.762 16.747 46.412 1.00 7.62 ? 150 LEU B O 1 +ATOM 3009 C CB . LEU B 1 150 ? 51.937 17.101 47.964 1.00 8.79 ? 150 LEU B CB 1 +ATOM 3010 C CG . LEU B 1 150 ? 50.799 16.136 48.311 1.00 9.12 ? 150 LEU B CG 1 +ATOM 3011 C CD1 . LEU B 1 150 ? 49.458 16.816 48.104 1.00 9.43 ? 150 LEU B CD1 1 +ATOM 3012 C CD2 . LEU B 1 150 ? 50.911 14.884 47.442 1.00 9.67 ? 150 LEU B CD2 1 +ATOM 3013 N N . ILE B 1 151 ? 54.838 18.461 47.859 1.00 7.66 ? 151 ILE B N 1 +ATOM 3014 C CA . ILE B 1 151 ? 55.847 19.179 47.093 1.00 7.57 ? 151 ILE B CA 1 +ATOM 3015 C C . ILE B 1 151 ? 57.137 18.360 47.098 1.00 7.49 ? 151 ILE B C 1 +ATOM 3016 O O . ILE B 1 151 ? 57.801 18.221 46.068 1.00 7.40 ? 151 ILE B O 1 +ATOM 3017 C CB . ILE B 1 151 ? 56.095 20.587 47.685 1.00 7.60 ? 151 ILE B CB 1 +ATOM 3018 C CG1 . ILE B 1 151 ? 54.868 21.470 47.429 1.00 7.60 ? 151 ILE B CG1 1 +ATOM 3019 C CG2 . ILE B 1 151 ? 57.345 21.204 47.073 1.00 7.50 ? 151 ILE B CG2 1 +ATOM 3020 C CD1 . ILE B 1 151 ? 54.939 22.848 48.059 1.00 7.99 ? 151 ILE B CD1 1 +ATOM 3021 N N . ARG B 1 152 ? 57.478 17.796 48.253 1.00 7.52 ? 152 ARG B N 1 +ATOM 3022 C CA . ARG B 1 152 ? 58.682 16.979 48.360 1.00 7.82 ? 152 ARG B CA 1 +ATOM 3023 C C . ARG B 1 152 ? 58.549 15.709 47.520 1.00 7.67 ? 152 ARG B C 1 +ATOM 3024 O O . ARG B 1 152 ? 59.481 15.325 46.814 1.00 7.40 ? 152 ARG B O 1 +ATOM 3025 C CB . ARG B 1 152 ? 58.958 16.602 49.823 1.00 8.77 ? 152 ARG B CB 1 +ATOM 3026 C CG . ARG B 1 152 ? 59.348 17.773 50.719 1.00 9.93 ? 152 ARG B CG 1 +ATOM 3027 C CD . ARG B 1 152 ? 59.758 17.290 52.110 1.00 11.16 ? 152 ARG B CD 1 +ATOM 3028 N NE . ARG B 1 152 ? 60.967 16.472 52.065 1.00 12.91 ? 152 ARG B NE 1 +ATOM 3029 C CZ . ARG B 1 152 ? 62.202 16.961 51.994 1.00 13.35 ? 152 ARG B CZ 1 +ATOM 3030 N NH1 . ARG B 1 152 ? 62.401 18.274 51.971 1.00 14.11 ? 152 ARG B NH1 1 +ATOM 3031 N NH2 . ARG B 1 152 ? 63.237 16.134 51.923 1.00 14.09 ? 152 ARG B NH2 1 +ATOM 3032 N N . LYS B 1 153 ? 57.387 15.064 47.589 1.00 7.50 ? 153 LYS B N 1 +ATOM 3033 C CA . LYS B 1 153 ? 57.158 13.831 46.838 1.00 7.47 ? 153 LYS B CA 1 +ATOM 3034 C C . LYS B 1 153 ? 57.247 14.048 45.325 1.00 7.15 ? 153 LYS B C 1 +ATOM 3035 O O . LYS B 1 153 ? 57.876 13.264 44.615 1.00 6.99 ? 153 LYS B O 1 +ATOM 3036 C CB . LYS B 1 153 ? 55.795 13.234 47.211 1.00 8.17 ? 153 LYS B CB 1 +ATOM 3037 C CG . LYS B 1 153 ? 55.472 11.917 46.514 1.00 8.99 ? 153 LYS B CG 1 +ATOM 3038 C CD . LYS B 1 153 ? 56.535 10.854 46.756 1.00 9.91 ? 153 LYS B CD 1 +ATOM 3039 C CE . LYS B 1 153 ? 56.635 10.474 48.225 1.00 10.45 ? 153 LYS B CE 1 +ATOM 3040 N NZ . LYS B 1 153 ? 57.674 9.431 48.436 1.00 11.18 ? 153 LYS B NZ 1 +ATOM 3041 N N . ALA B 1 154 ? 56.622 15.110 44.832 1.00 6.70 ? 154 ALA B N 1 +ATOM 3042 C CA . ALA B 1 154 ? 56.664 15.407 43.405 1.00 6.53 ? 154 ALA B CA 1 +ATOM 3043 C C . ALA B 1 154 ? 58.105 15.689 42.976 1.00 6.41 ? 154 ALA B C 1 +ATOM 3044 O O . ALA B 1 154 ? 58.531 15.278 41.900 1.00 6.27 ? 154 ALA B O 1 +ATOM 3045 C CB . ALA B 1 154 ? 55.777 16.604 43.094 1.00 6.36 ? 154 ALA B CB 1 +ATOM 3046 N N . SER B 1 155 ? 58.851 16.396 43.820 1.00 6.47 ? 155 SER B N 1 +ATOM 3047 C CA . SER B 1 155 ? 60.246 16.705 43.522 1.00 6.45 ? 155 SER B CA 1 +ATOM 3048 C C . SER B 1 155 ? 61.059 15.412 43.478 1.00 6.69 ? 155 SER B C 1 +ATOM 3049 O O . SER B 1 155 ? 61.830 15.177 42.545 1.00 6.50 ? 155 SER B O 1 +ATOM 3050 C CB . SER B 1 155 ? 60.824 17.643 44.588 1.00 6.41 ? 155 SER B CB 1 +ATOM 3051 O OG . SER B 1 155 ? 60.133 18.883 44.611 1.00 6.55 ? 155 SER B OG 1 +ATOM 3052 N N . GLU B 1 156 ? 60.867 14.571 44.489 1.00 6.95 ? 156 GLU B N 1 +ATOM 3053 C CA . GLU B 1 156 ? 61.571 13.296 44.585 1.00 7.51 ? 156 GLU B CA 1 +ATOM 3054 C C . GLU B 1 156 ? 61.319 12.399 43.373 1.00 7.16 ? 156 GLU B C 1 +ATOM 3055 O O . GLU B 1 156 ? 62.259 11.866 42.781 1.00 7.07 ? 156 GLU B O 1 +ATOM 3056 C CB . GLU B 1 156 ? 61.149 12.576 45.869 1.00 8.46 ? 156 GLU B CB 1 +ATOM 3057 C CG . GLU B 1 156 ? 61.584 11.121 45.955 1.00 10.75 ? 156 GLU B CG 1 +ATOM 3058 C CD . GLU B 1 156 ? 61.139 10.458 47.247 1.00 11.83 ? 156 GLU B CD 1 +ATOM 3059 O OE1 . GLU B 1 156 ? 60.027 10.768 47.725 1.00 12.67 ? 156 GLU B OE1 1 +ATOM 3060 O OE2 . GLU B 1 156 ? 61.894 9.615 47.777 1.00 13.23 ? 156 GLU B OE2 1 +ATOM 3061 N N . ILE B 1 157 ? 60.051 12.239 43.008 1.00 6.89 ? 157 ILE B N 1 +ATOM 3062 C CA . ILE B 1 157 ? 59.687 11.409 41.866 1.00 6.76 ? 157 ILE B CA 1 +ATOM 3063 C C . ILE B 1 157 ? 60.320 11.949 40.586 1.00 6.72 ? 157 ILE B C 1 +ATOM 3064 O O . ILE B 1 157 ? 60.896 11.195 39.803 1.00 6.75 ? 157 ILE B O 1 +ATOM 3065 C CB . ILE B 1 157 ? 58.151 11.350 41.694 1.00 6.84 ? 157 ILE B CB 1 +ATOM 3066 C CG1 . ILE B 1 157 ? 57.521 10.648 42.901 1.00 7.15 ? 157 ILE B CG1 1 +ATOM 3067 C CG2 . ILE B 1 157 ? 57.792 10.597 40.419 1.00 6.84 ? 157 ILE B CG2 1 +ATOM 3068 C CD1 . ILE B 1 157 ? 56.013 10.696 42.906 1.00 7.33 ? 157 ILE B CD1 1 +ATOM 3069 N N . SER B 1 158 ? 60.221 13.259 40.383 1.00 6.63 ? 158 SER B N 1 +ATOM 3070 C CA . SER B 1 158 ? 60.787 13.888 39.194 1.00 6.44 ? 158 SER B CA 1 +ATOM 3071 C C . SER B 1 158 ? 62.287 13.633 39.101 1.00 6.54 ? 158 SER B C 1 +ATOM 3072 O O . SER B 1 158 ? 62.809 13.317 38.030 1.00 6.39 ? 158 SER B O 1 +ATOM 3073 C CB . SER B 1 158 ? 60.515 15.395 39.216 1.00 6.48 ? 158 SER B CB 1 +ATOM 3074 O OG . SER B 1 158 ? 59.122 15.656 39.179 1.00 6.72 ? 158 SER B OG 1 +ATOM 3075 N N . ILE B 1 159 ? 62.977 13.776 40.227 1.00 6.59 ? 159 ILE B N 1 +ATOM 3076 C CA . ILE B 1 159 ? 64.415 13.551 40.273 1.00 6.89 ? 159 ILE B CA 1 +ATOM 3077 C C . ILE B 1 159 ? 64.760 12.097 39.954 1.00 7.14 ? 159 ILE B C 1 +ATOM 3078 O O . ILE B 1 159 ? 65.646 11.829 39.143 1.00 7.30 ? 159 ILE B O 1 +ATOM 3079 C CB . ILE B 1 159 ? 64.972 13.958 41.656 1.00 6.74 ? 159 ILE B CB 1 +ATOM 3080 C CG1 . ILE B 1 159 ? 64.943 15.484 41.773 1.00 6.99 ? 159 ILE B CG1 1 +ATOM 3081 C CG2 . ILE B 1 159 ? 66.389 13.434 41.841 1.00 6.92 ? 159 ILE B CG2 1 +ATOM 3082 C CD1 . ILE B 1 159 ? 65.224 16.013 43.168 1.00 7.18 ? 159 ILE B CD1 1 +ATOM 3083 N N . LYS B 1 160 ? 64.055 11.157 40.578 1.00 7.49 ? 160 LYS B N 1 +ATOM 3084 C CA . LYS B 1 160 ? 64.307 9.743 40.321 1.00 7.87 ? 160 LYS B CA 1 +ATOM 3085 C C . LYS B 1 160 ? 64.042 9.387 38.859 1.00 7.80 ? 160 LYS B C 1 +ATOM 3086 O O . LYS B 1 160 ? 64.704 8.512 38.296 1.00 7.95 ? 160 LYS B O 1 +ATOM 3087 C CB . LYS B 1 160 ? 63.430 8.872 41.225 1.00 8.51 ? 160 LYS B CB 1 +ATOM 3088 C CG . LYS B 1 160 ? 63.803 8.938 42.698 1.00 9.50 ? 160 LYS B CG 1 +ATOM 3089 C CD . LYS B 1 160 ? 62.890 8.054 43.528 1.00 10.33 ? 160 LYS B CD 1 +ATOM 3090 C CE . LYS B 1 160 ? 63.298 8.039 44.990 1.00 10.99 ? 160 LYS B CE 1 +ATOM 3091 N NZ . LYS B 1 160 ? 62.322 7.274 45.811 1.00 11.71 ? 160 LYS B NZ 1 +ATOM 3092 N N . ALA B 1 161 ? 63.083 10.076 38.246 1.00 7.50 ? 161 ALA B N 1 +ATOM 3093 C CA . ALA B 1 161 ? 62.724 9.824 36.857 1.00 7.40 ? 161 ALA B CA 1 +ATOM 3094 C C . ALA B 1 161 ? 63.694 10.448 35.855 1.00 7.31 ? 161 ALA B C 1 +ATOM 3095 O O . ALA B 1 161 ? 63.607 10.178 34.655 1.00 7.72 ? 161 ALA B O 1 +ATOM 3096 C CB . ALA B 1 161 ? 61.307 10.307 36.595 1.00 7.23 ? 161 ALA B CB 1 +ATOM 3097 N N . GLY B 1 162 ? 64.605 11.288 36.339 1.00 7.17 ? 162 GLY B N 1 +ATOM 3098 C CA . GLY B 1 162 ? 65.588 11.886 35.449 1.00 6.91 ? 162 GLY B CA 1 +ATOM 3099 C C . GLY B 1 162 ? 65.544 13.383 35.193 1.00 6.64 ? 162 GLY B C 1 +ATOM 3100 O O . GLY B 1 162 ? 66.219 13.870 34.288 1.00 6.85 ? 162 GLY B O 1 +ATOM 3101 N N . ALA B 1 163 ? 64.766 14.124 35.975 1.00 6.52 ? 163 ALA B N 1 +ATOM 3102 C CA . ALA B 1 163 ? 64.682 15.570 35.788 1.00 6.32 ? 163 ALA B CA 1 +ATOM 3103 C C . ALA B 1 163 ? 66.062 16.227 35.877 1.00 6.26 ? 163 ALA B C 1 +ATOM 3104 O O . ALA B 1 163 ? 66.845 15.913 36.771 1.00 6.37 ? 163 ALA B O 1 +ATOM 3105 C CB . ALA B 1 163 ? 63.752 16.176 36.839 1.00 6.41 ? 163 ALA B CB 1 +ATOM 3106 N N . ASP B 1 164 ? 66.366 17.129 34.948 1.00 6.03 ? 164 ASP B N 1 +ATOM 3107 C CA . ASP B 1 164 ? 67.650 17.828 34.974 1.00 6.02 ? 164 ASP B CA 1 +ATOM 3108 C C . ASP B 1 164 ? 67.497 19.101 35.798 1.00 5.84 ? 164 ASP B C 1 +ATOM 3109 O O . ASP B 1 164 ? 68.483 19.672 36.263 1.00 5.73 ? 164 ASP B O 1 +ATOM 3110 C CB . ASP B 1 164 ? 68.111 18.197 33.560 1.00 6.23 ? 164 ASP B CB 1 +ATOM 3111 C CG . ASP B 1 164 ? 68.374 16.984 32.693 1.00 6.44 ? 164 ASP B CG 1 +ATOM 3112 O OD1 . ASP B 1 164 ? 69.118 16.083 33.135 1.00 6.83 ? 164 ASP B OD1 1 +ATOM 3113 O OD2 . ASP B 1 164 ? 67.846 16.939 31.564 1.00 6.65 ? 164 ASP B OD2 1 +ATOM 3114 N N . PHE B 1 165 ? 66.242 19.521 35.964 1.00 5.72 ? 165 PHE B N 1 +ATOM 3115 C CA . PHE B 1 165 ? 65.856 20.712 36.726 1.00 5.88 ? 165 PHE B CA 1 +ATOM 3116 C C . PHE B 1 165 ? 64.473 20.461 37.320 1.00 5.67 ? 165 PHE B C 1 +ATOM 3117 O O . PHE B 1 165 ? 63.650 19.778 36.705 1.00 5.05 ? 165 PHE B O 1 +ATOM 3118 C CB . PHE B 1 165 ? 65.670 21.919 35.797 1.00 6.54 ? 165 PHE B CB 1 +ATOM 3119 C CG . PHE B 1 165 ? 66.873 22.797 35.631 1.00 7.31 ? 165 PHE B CG 1 +ATOM 3120 C CD1 . PHE B 1 165 ? 67.094 23.867 36.495 1.00 7.54 ? 165 PHE B CD1 1 +ATOM 3121 C CD2 . PHE B 1 165 ? 67.729 22.621 34.551 1.00 7.57 ? 165 PHE B CD2 1 +ATOM 3122 C CE1 . PHE B 1 165 ? 68.142 24.756 36.280 1.00 8.20 ? 165 PHE B CE1 1 +ATOM 3123 C CE2 . PHE B 1 165 ? 68.782 23.507 34.329 1.00 8.19 ? 165 PHE B CE2 1 +ATOM 3124 C CZ . PHE B 1 165 ? 68.984 24.575 35.194 1.00 8.19 ? 165 PHE B CZ 1 +ATOM 3125 N N . ILE B 1 166 ? 64.217 20.989 38.511 1.00 5.46 ? 166 ILE B N 1 +ATOM 3126 C CA . ILE B 1 166 ? 62.873 20.916 39.059 1.00 5.58 ? 166 ILE B CA 1 +ATOM 3127 C C . ILE B 1 166 ? 62.462 22.388 39.148 1.00 5.36 ? 166 ILE B C 1 +ATOM 3128 O O . ILE B 1 166 ? 63.225 23.243 39.615 1.00 5.12 ? 166 ILE B O 1 +ATOM 3129 C CB . ILE B 1 166 ? 62.776 20.159 40.423 1.00 5.77 ? 166 ILE B CB 1 +ATOM 3130 C CG1 . ILE B 1 166 ? 63.784 20.684 41.442 1.00 6.15 ? 166 ILE B CG1 1 +ATOM 3131 C CG2 . ILE B 1 166 ? 62.965 18.666 40.169 1.00 6.51 ? 166 ILE B CG2 1 +ATOM 3132 C CD1 . ILE B 1 166 ? 63.620 20.045 42.825 1.00 6.52 ? 166 ILE B CD1 1 +ATOM 3133 N N . LYS B 1 167 ? 61.268 22.673 38.638 1.00 5.40 ? 167 LYS B N 1 +ATOM 3134 C CA . LYS B 1 167 ? 60.732 24.028 38.543 1.00 5.57 ? 167 LYS B CA 1 +ATOM 3135 C C . LYS B 1 167 ? 59.460 24.152 39.372 1.00 5.51 ? 167 LYS B C 1 +ATOM 3136 O O . LYS B 1 167 ? 58.648 23.233 39.413 1.00 5.60 ? 167 LYS B O 1 +ATOM 3137 C CB . LYS B 1 167 ? 60.475 24.307 37.055 1.00 5.65 ? 167 LYS B CB 1 +ATOM 3138 C CG . LYS B 1 167 ? 59.834 25.629 36.686 1.00 5.75 ? 167 LYS B CG 1 +ATOM 3139 C CD . LYS B 1 167 ? 59.766 25.719 35.164 1.00 5.86 ? 167 LYS B CD 1 +ATOM 3140 C CE . LYS B 1 167 ? 58.855 26.840 34.699 1.00 6.15 ? 167 LYS B CE 1 +ATOM 3141 N NZ . LYS B 1 167 ? 58.703 26.856 33.218 1.00 6.76 ? 167 LYS B NZ 1 +ATOM 3142 N N . THR B 1 168 ? 59.272 25.294 40.025 1.00 5.42 ? 168 THR B N 1 +ATOM 3143 C CA . THR B 1 168 ? 58.110 25.458 40.891 1.00 5.52 ? 168 THR B CA 1 +ATOM 3144 C C . THR B 1 168 ? 56.732 25.529 40.269 1.00 5.53 ? 168 THR B C 1 +ATOM 3145 O O . THR B 1 168 ? 55.822 24.818 40.704 1.00 5.35 ? 168 THR B O 1 +ATOM 3146 C CB . THR B 1 168 ? 58.205 26.724 41.783 1.00 5.71 ? 168 THR B CB 1 +ATOM 3147 O OG1 . THR B 1 168 ? 58.082 27.900 40.971 1.00 5.87 ? 168 THR B OG1 1 +ATOM 3148 C CG2 . THR B 1 168 ? 59.517 26.754 42.543 1.00 5.90 ? 168 THR B CG2 1 +ATOM 3149 N N . SER B 1 169 ? 56.571 26.368 39.250 1.00 5.69 ? 169 SER B N 1 +ATOM 3150 C CA . SER B 1 169 ? 55.242 26.585 38.706 1.00 5.60 ? 169 SER B CA 1 +ATOM 3151 C C . SER B 1 169 ? 55.135 26.924 37.226 1.00 5.44 ? 169 SER B C 1 +ATOM 3152 O O . SER B 1 169 ? 56.137 27.142 36.543 1.00 5.50 ? 169 SER B O 1 +ATOM 3153 C CB . SER B 1 169 ? 54.591 27.714 39.504 1.00 6.27 ? 169 SER B CB 1 +ATOM 3154 O OG . SER B 1 169 ? 55.131 27.793 40.819 1.00 5.98 ? 169 SER B OG 1 +ATOM 3155 N N . THR B 1 170 ? 53.886 26.985 36.763 1.00 5.36 ? 170 THR B N 1 +ATOM 3156 C CA . THR B 1 170 ? 53.552 27.318 35.377 1.00 5.24 ? 170 THR B CA 1 +ATOM 3157 C C . THR B 1 170 ? 53.301 28.807 35.179 1.00 5.47 ? 170 THR B C 1 +ATOM 3158 O O . THR B 1 170 ? 53.350 29.297 34.052 1.00 5.24 ? 170 THR B O 1 +ATOM 3159 C CB . THR B 1 170 ? 52.256 26.623 34.911 1.00 4.82 ? 170 THR B CB 1 +ATOM 3160 O OG1 . THR B 1 170 ? 51.157 27.059 35.731 1.00 4.89 ? 170 THR B OG1 1 +ATOM 3161 C CG2 . THR B 1 170 ? 52.398 25.116 34.992 1.00 5.12 ? 170 THR B CG2 1 +ATOM 3162 N N . GLY B 1 171 ? 53.014 29.514 36.269 1.00 5.67 ? 171 GLY B N 1 +ATOM 3163 C CA . GLY B 1 171 ? 52.712 30.929 36.170 1.00 5.96 ? 171 GLY B CA 1 +ATOM 3164 C C . GLY B 1 171 ? 51.273 31.104 35.714 1.00 6.10 ? 171 GLY B C 1 +ATOM 3165 O O . GLY B 1 171 ? 50.853 32.210 35.383 1.00 6.17 ? 171 GLY B O 1 +ATOM 3166 N N . LYS B 1 172 ? 50.515 30.009 35.701 1.00 6.16 ? 172 LYS B N 1 +ATOM 3167 C CA . LYS B 1 172 ? 49.120 30.031 35.255 1.00 6.62 ? 172 LYS B CA 1 +ATOM 3168 C C . LYS B 1 172 ? 48.101 29.737 36.357 1.00 6.56 ? 172 LYS B C 1 +ATOM 3169 O O . LYS B 1 172 ? 46.893 29.718 36.099 1.00 7.15 ? 172 LYS B O 1 +ATOM 3170 C CB . LYS B 1 172 ? 48.920 29.022 34.118 1.00 7.02 ? 172 LYS B CB 1 +ATOM 3171 C CG . LYS B 1 172 ? 49.782 29.265 32.886 1.00 7.80 ? 172 LYS B CG 1 +ATOM 3172 C CD . LYS B 1 172 ? 49.403 30.565 32.201 1.00 8.50 ? 172 LYS B CD 1 +ATOM 3173 C CE . LYS B 1 172 ? 50.193 30.773 30.917 1.00 9.12 ? 172 LYS B CE 1 +ATOM 3174 N NZ . LYS B 1 172 ? 49.754 32.019 30.235 1.00 10.58 ? 172 LYS B NZ 1 +ATOM 3175 N N . VAL B 1 173 ? 48.580 29.488 37.573 1.00 6.42 ? 173 VAL B N 1 +ATOM 3176 C CA . VAL B 1 173 ? 47.687 29.206 38.690 1.00 6.52 ? 173 VAL B CA 1 +ATOM 3177 C C . VAL B 1 173 ? 47.745 30.331 39.723 1.00 6.52 ? 173 VAL B C 1 +ATOM 3178 O O . VAL B 1 173 ? 48.571 31.240 39.616 1.00 6.56 ? 173 VAL B O 1 +ATOM 3179 C CB . VAL B 1 173 ? 48.028 27.845 39.353 1.00 6.40 ? 173 VAL B CB 1 +ATOM 3180 C CG1 . VAL B 1 173 ? 47.756 26.713 38.367 1.00 6.81 ? 173 VAL B CG1 1 +ATOM 3181 C CG2 . VAL B 1 173 ? 49.482 27.817 39.788 1.00 6.52 ? 173 VAL B CG2 1 +ATOM 3182 N N . ALA B 1 174 ? 46.869 30.270 40.720 1.00 6.67 ? 174 ALA B N 1 +ATOM 3183 C CA . ALA B 1 174 ? 46.794 31.308 41.746 1.00 6.71 ? 174 ALA B CA 1 +ATOM 3184 C C . ALA B 1 174 ? 48.109 31.606 42.456 1.00 6.82 ? 174 ALA B C 1 +ATOM 3185 O O . ALA B 1 174 ? 48.501 32.765 42.577 1.00 7.04 ? 174 ALA B O 1 +ATOM 3186 C CB . ALA B 1 174 ? 45.721 30.944 42.766 1.00 7.00 ? 174 ALA B CB 1 +ATOM 3187 N N . VAL B 1 175 ? 48.781 30.562 42.927 1.00 6.52 ? 175 VAL B N 1 +ATOM 3188 C CA . VAL B 1 175 ? 50.047 30.714 43.630 1.00 6.44 ? 175 VAL B CA 1 +ATOM 3189 C C . VAL B 1 175 ? 51.169 30.041 42.858 1.00 6.26 ? 175 VAL B C 1 +ATOM 3190 O O . VAL B 1 175 ? 51.042 28.896 42.420 1.00 5.89 ? 175 VAL B O 1 +ATOM 3191 C CB . VAL B 1 175 ? 49.972 30.106 45.048 1.00 6.75 ? 175 VAL B CB 1 +ATOM 3192 C CG1 . VAL B 1 175 ? 51.331 30.192 45.730 1.00 7.12 ? 175 VAL B CG1 1 +ATOM 3193 C CG2 . VAL B 1 175 ? 48.916 30.844 45.864 1.00 6.87 ? 175 VAL B CG2 1 +ATOM 3194 N N . ASN B 1 176 ? 52.267 30.762 42.687 1.00 6.27 ? 176 ASN B N 1 +ATOM 3195 C CA . ASN B 1 176 ? 53.408 30.228 41.971 1.00 6.23 ? 176 ASN B CA 1 +ATOM 3196 C C . ASN B 1 176 ? 54.631 30.207 42.882 1.00 6.37 ? 176 ASN B C 1 +ATOM 3197 O O . ASN B 1 176 ? 54.536 29.748 44.014 1.00 6.47 ? 176 ASN B O 1 +ATOM 3198 C CB . ASN B 1 176 ? 53.624 31.040 40.692 1.00 6.44 ? 176 ASN B CB 1 +ATOM 3199 C CG . ASN B 1 176 ? 52.455 30.897 39.725 1.00 6.65 ? 176 ASN B CG 1 +ATOM 3200 O OD1 . ASN B 1 176 ? 52.312 29.877 39.051 1.00 6.37 ? 176 ASN B OD1 1 +ATOM 3201 N ND2 . ASN B 1 176 ? 51.592 31.905 39.686 1.00 7.30 ? 176 ASN B ND2 1 +ATOM 3202 N N . ALA B 1 177 ? 55.774 30.700 42.427 1.00 6.40 ? 177 ALA B N 1 +ATOM 3203 C CA . ALA B 1 177 ? 56.961 30.653 43.272 1.00 6.64 ? 177 ALA B CA 1 +ATOM 3204 C C . ALA B 1 177 ? 56.837 31.441 44.570 1.00 6.68 ? 177 ALA B C 1 +ATOM 3205 O O . ALA B 1 177 ? 56.232 32.510 44.603 1.00 6.85 ? 177 ALA B O 1 +ATOM 3206 C CB . ALA B 1 177 ? 58.173 31.144 42.496 1.00 6.66 ? 177 ALA B CB 1 +ATOM 3207 N N . THR B 1 178 ? 57.396 30.884 45.641 1.00 6.93 ? 178 THR B N 1 +ATOM 3208 C CA . THR B 1 178 ? 57.439 31.543 46.943 1.00 7.22 ? 178 THR B CA 1 +ATOM 3209 C C . THR B 1 178 ? 58.744 31.082 47.569 1.00 7.30 ? 178 THR B C 1 +ATOM 3210 O O . THR B 1 178 ? 59.247 30.004 47.243 1.00 6.97 ? 178 THR B O 1 +ATOM 3211 C CB . THR B 1 178 ? 56.278 31.137 47.892 1.00 7.48 ? 178 THR B CB 1 +ATOM 3212 O OG1 . THR B 1 178 ? 56.434 29.772 48.298 1.00 7.82 ? 178 THR B OG1 1 +ATOM 3213 C CG2 . THR B 1 178 ? 54.931 31.322 47.211 1.00 7.77 ? 178 THR B CG2 1 +ATOM 3214 N N . PRO B 1 179 ? 59.331 31.903 48.449 1.00 7.45 ? 179 PRO B N 1 +ATOM 3215 C CA . PRO B 1 179 ? 60.589 31.505 49.087 1.00 7.91 ? 179 PRO B CA 1 +ATOM 3216 C C . PRO B 1 179 ? 60.428 30.178 49.829 1.00 8.07 ? 179 PRO B C 1 +ATOM 3217 O O . PRO B 1 179 ? 61.332 29.344 49.841 1.00 8.19 ? 179 PRO B O 1 +ATOM 3218 C CB . PRO B 1 179 ? 60.872 32.672 50.030 1.00 7.73 ? 179 PRO B CB 1 +ATOM 3219 C CG . PRO B 1 179 ? 60.322 33.847 49.264 1.00 8.03 ? 179 PRO B CG 1 +ATOM 3220 C CD . PRO B 1 179 ? 58.995 33.304 48.764 1.00 7.83 ? 179 PRO B CD 1 +ATOM 3221 N N . GLU B 1 180 ? 59.263 29.987 50.435 1.00 8.52 ? 180 GLU B N 1 +ATOM 3222 C CA . GLU B 1 180 ? 58.971 28.769 51.180 1.00 9.27 ? 180 GLU B CA 1 +ATOM 3223 C C . GLU B 1 180 ? 59.003 27.531 50.281 1.00 8.91 ? 180 GLU B C 1 +ATOM 3224 O O . GLU B 1 180 ? 59.628 26.524 50.617 1.00 8.58 ? 180 GLU B O 1 +ATOM 3225 C CB . GLU B 1 180 ? 57.600 28.893 51.844 1.00 10.46 ? 180 GLU B CB 1 +ATOM 3226 C CG . GLU B 1 180 ? 57.206 27.722 52.716 1.00 12.66 ? 180 GLU B CG 1 +ATOM 3227 C CD . GLU B 1 180 ? 55.763 27.816 53.169 1.00 13.76 ? 180 GLU B CD 1 +ATOM 3228 O OE1 . GLU B 1 180 ? 54.860 27.651 52.319 1.00 14.97 ? 180 GLU B OE1 1 +ATOM 3229 O OE2 . GLU B 1 180 ? 55.527 28.069 54.369 1.00 15.24 ? 180 GLU B OE2 1 +ATOM 3230 N N . SER B 1 181 ? 58.328 27.605 49.139 1.00 8.55 ? 181 SER B N 1 +ATOM 3231 C CA . SER B 1 181 ? 58.296 26.480 48.210 1.00 8.45 ? 181 SER B CA 1 +ATOM 3232 C C . SER B 1 181 ? 59.668 26.214 47.609 1.00 8.02 ? 181 SER B C 1 +ATOM 3233 O O . SER B 1 181 ? 60.043 25.064 47.379 1.00 7.93 ? 181 SER B O 1 +ATOM 3234 C CB . SER B 1 181 ? 57.289 26.741 47.088 1.00 8.68 ? 181 SER B CB 1 +ATOM 3235 O OG . SER B 1 181 ? 55.964 26.648 47.570 1.00 10.32 ? 181 SER B OG 1 +ATOM 3236 N N . ALA B 1 182 ? 60.420 27.280 47.358 1.00 7.82 ? 182 ALA B N 1 +ATOM 3237 C CA . ALA B 1 182 ? 61.753 27.143 46.788 1.00 7.72 ? 182 ALA B CA 1 +ATOM 3238 C C . ALA B 1 182 ? 62.683 26.437 47.769 1.00 7.79 ? 182 ALA B C 1 +ATOM 3239 O O . ALA B 1 182 ? 63.479 25.589 47.374 1.00 7.69 ? 182 ALA B O 1 +ATOM 3240 C CB . ALA B 1 182 ? 62.310 28.508 46.428 1.00 7.57 ? 182 ALA B CB 1 +ATOM 3241 N N . ARG B 1 183 ? 62.583 26.785 49.048 1.00 7.86 ? 183 ARG B N 1 +ATOM 3242 C CA . ARG B 1 183 ? 63.432 26.152 50.047 1.00 8.19 ? 183 ARG B CA 1 +ATOM 3243 C C . ARG B 1 183 ? 63.119 24.663 50.150 1.00 7.98 ? 183 ARG B C 1 +ATOM 3244 O O . ARG B 1 183 ? 64.028 23.843 50.223 1.00 8.06 ? 183 ARG B O 1 +ATOM 3245 C CB . ARG B 1 183 ? 63.256 26.831 51.410 1.00 8.59 ? 183 ARG B CB 1 +ATOM 3246 C CG . ARG B 1 183 ? 64.153 26.262 52.507 1.00 9.61 ? 183 ARG B CG 1 +ATOM 3247 C CD . ARG B 1 183 ? 64.055 27.079 53.791 1.00 10.51 ? 183 ARG B CD 1 +ATOM 3248 N NE . ARG B 1 183 ? 64.765 28.356 53.704 1.00 11.77 ? 183 ARG B NE 1 +ATOM 3249 C CZ . ARG B 1 183 ? 66.081 28.498 53.847 1.00 11.99 ? 183 ARG B CZ 1 +ATOM 3250 N NH1 . ARG B 1 183 ? 66.845 27.441 54.090 1.00 12.60 ? 183 ARG B NH1 1 +ATOM 3251 N NH2 . ARG B 1 183 ? 66.636 29.700 53.752 1.00 12.58 ? 183 ARG B NH2 1 +ATOM 3252 N N . ILE B 1 184 ? 61.835 24.313 50.141 1.00 7.67 ? 184 ILE B N 1 +ATOM 3253 C CA . ILE B 1 184 ? 61.436 22.909 50.227 1.00 7.43 ? 184 ILE B CA 1 +ATOM 3254 C C . ILE B 1 184 ? 62.020 22.091 49.073 1.00 7.37 ? 184 ILE B C 1 +ATOM 3255 O O . ILE B 1 184 ? 62.608 21.033 49.287 1.00 7.28 ? 184 ILE B O 1 +ATOM 3256 C CB . ILE B 1 184 ? 59.888 22.760 50.219 1.00 7.44 ? 184 ILE B CB 1 +ATOM 3257 C CG1 . ILE B 1 184 ? 59.300 23.384 51.488 1.00 7.67 ? 184 ILE B CG1 1 +ATOM 3258 C CG2 . ILE B 1 184 ? 59.498 21.285 50.110 1.00 7.68 ? 184 ILE B CG2 1 +ATOM 3259 C CD1 . ILE B 1 184 ? 57.788 23.505 51.474 1.00 8.06 ? 184 ILE B CD1 1 +ATOM 3260 N N . MET B 1 185 ? 61.865 22.588 47.849 1.00 7.22 ? 185 MET B N 1 +ATOM 3261 C CA . MET B 1 185 ? 62.373 21.885 46.680 1.00 7.19 ? 185 MET B CA 1 +ATOM 3262 C C . MET B 1 185 ? 63.891 21.766 46.694 1.00 7.49 ? 185 MET B C 1 +ATOM 3263 O O . MET B 1 185 ? 64.434 20.711 46.362 1.00 7.27 ? 185 MET B O 1 +ATOM 3264 C CB . MET B 1 185 ? 61.892 22.580 45.402 1.00 7.05 ? 185 MET B CB 1 +ATOM 3265 C CG . MET B 1 185 ? 60.388 22.421 45.180 1.00 6.19 ? 185 MET B CG 1 +ATOM 3266 S SD . MET B 1 185 ? 59.759 23.238 43.698 1.00 6.10 ? 185 MET B SD 1 +ATOM 3267 C CE . MET B 1 185 ? 60.430 22.174 42.414 1.00 6.44 ? 185 MET B CE 1 +ATOM 3268 N N . MET B 1 186 ? 64.580 22.835 47.080 1.00 7.85 ? 186 MET B N 1 +ATOM 3269 C CA . MET B 1 186 ? 66.033 22.789 47.135 1.00 8.36 ? 186 MET B CA 1 +ATOM 3270 C C . MET B 1 186 ? 66.488 21.856 48.256 1.00 8.39 ? 186 MET B C 1 +ATOM 3271 O O . MET B 1 186 ? 67.546 21.236 48.156 1.00 8.37 ? 186 MET B O 1 +ATOM 3272 C CB . MET B 1 186 ? 66.617 24.192 47.322 1.00 8.72 ? 186 MET B CB 1 +ATOM 3273 C CG . MET B 1 186 ? 66.393 25.102 46.119 1.00 9.71 ? 186 MET B CG 1 +ATOM 3274 S SD . MET B 1 186 ? 67.471 26.554 46.080 1.00 10.38 ? 186 MET B SD 1 +ATOM 3275 C CE . MET B 1 186 ? 68.817 25.939 45.134 1.00 11.08 ? 186 MET B CE 1 +ATOM 3276 N N . GLU B 1 187 ? 65.685 21.746 49.313 1.00 8.61 ? 187 GLU B N 1 +ATOM 3277 C CA . GLU B 1 187 ? 66.021 20.849 50.417 1.00 9.01 ? 187 GLU B CA 1 +ATOM 3278 C C . GLU B 1 187 ? 65.954 19.409 49.915 1.00 8.81 ? 187 GLU B C 1 +ATOM 3279 O O . GLU B 1 187 ? 66.701 18.553 50.378 1.00 8.77 ? 187 GLU B O 1 +ATOM 3280 C CB . GLU B 1 187 ? 65.056 21.042 51.595 1.00 9.79 ? 187 GLU B CB 1 +ATOM 3281 C CG . GLU B 1 187 ? 65.281 22.335 52.369 1.00 11.41 ? 187 GLU B CG 1 +ATOM 3282 C CD . GLU B 1 187 ? 64.255 22.559 53.468 1.00 12.25 ? 187 GLU B CD 1 +ATOM 3283 O OE1 . GLU B 1 187 ? 63.050 22.353 53.213 1.00 13.53 ? 187 GLU B OE1 1 +ATOM 3284 O OE2 . GLU B 1 187 ? 64.648 22.959 54.584 1.00 13.21 ? 187 GLU B OE2 1 +ATOM 3285 N N . VAL B 1 188 ? 65.059 19.137 48.967 1.00 8.49 ? 188 VAL B N 1 +ATOM 3286 C CA . VAL B 1 188 ? 64.949 17.787 48.421 1.00 8.39 ? 188 VAL B CA 1 +ATOM 3287 C C . VAL B 1 188 ? 66.207 17.464 47.615 1.00 8.44 ? 188 VAL B C 1 +ATOM 3288 O O . VAL B 1 188 ? 66.767 16.375 47.738 1.00 8.40 ? 188 VAL B O 1 +ATOM 3289 C CB . VAL B 1 188 ? 63.702 17.635 47.520 1.00 8.17 ? 188 VAL B CB 1 +ATOM 3290 C CG1 . VAL B 1 188 ? 63.707 16.267 46.849 1.00 8.26 ? 188 VAL B CG1 1 +ATOM 3291 C CG2 . VAL B 1 188 ? 62.436 17.795 48.357 1.00 8.43 ? 188 VAL B CG2 1 +ATOM 3292 N N . ILE B 1 189 ? 66.649 18.413 46.793 1.00 8.46 ? 189 ILE B N 1 +ATOM 3293 C CA . ILE B 1 189 ? 67.856 18.232 45.991 1.00 8.81 ? 189 ILE B CA 1 +ATOM 3294 C C . ILE B 1 189 ? 69.014 17.931 46.942 1.00 9.25 ? 189 ILE B C 1 +ATOM 3295 O O . ILE B 1 189 ? 69.831 17.042 46.690 1.00 9.24 ? 189 ILE B O 1 +ATOM 3296 C CB . ILE B 1 189 ? 68.172 19.508 45.169 1.00 8.69 ? 189 ILE B CB 1 +ATOM 3297 C CG1 . ILE B 1 189 ? 67.079 19.729 44.119 1.00 8.72 ? 189 ILE B CG1 1 +ATOM 3298 C CG2 . ILE B 1 189 ? 69.532 19.381 44.502 1.00 8.86 ? 189 ILE B CG2 1 +ATOM 3299 C CD1 . ILE B 1 189 ? 67.243 21.000 43.310 1.00 8.81 ? 189 ILE B CD1 1 +ATOM 3300 N N . ARG B 1 190 ? 69.068 18.672 48.046 1.00 9.71 ? 190 ARG B N 1 +ATOM 3301 C CA . ARG B 1 190 ? 70.112 18.478 49.044 1.00 10.56 ? 190 ARG B CA 1 +ATOM 3302 C C . ARG B 1 190 ? 70.002 17.117 49.721 1.00 10.54 ? 190 ARG B C 1 +ATOM 3303 O O . ARG B 1 190 ? 70.979 16.370 49.785 1.00 10.71 ? 190 ARG B O 1 +ATOM 3304 C CB . ARG B 1 190 ? 70.042 19.572 50.112 1.00 11.17 ? 190 ARG B CB 1 +ATOM 3305 C CG . ARG B 1 190 ? 70.934 19.302 51.325 1.00 12.61 ? 190 ARG B CG 1 +ATOM 3306 C CD . ARG B 1 190 ? 70.790 20.386 52.380 1.00 13.87 ? 190 ARG B CD 1 +ATOM 3307 N NE . ARG B 1 190 ? 69.448 20.449 52.947 1.00 15.08 ? 190 ARG B NE 1 +ATOM 3308 C CZ . ARG B 1 190 ? 68.935 19.541 53.768 1.00 15.36 ? 190 ARG B CZ 1 +ATOM 3309 N NH1 . ARG B 1 190 ? 69.656 18.486 54.124 1.00 16.33 ? 190 ARG B NH1 1 +ATOM 3310 N NH2 . ARG B 1 190 ? 67.705 19.694 54.244 1.00 15.58 ? 190 ARG B NH2 1 +ATOM 3311 N N . ASP B 1 191 ? 68.814 16.799 50.227 1.00 10.67 ? 191 ASP B N 1 +ATOM 3312 C CA . ASP B 1 191 ? 68.599 15.534 50.925 1.00 10.85 ? 191 ASP B CA 1 +ATOM 3313 C C . ASP B 1 191 ? 68.861 14.310 50.061 1.00 10.87 ? 191 ASP B C 1 +ATOM 3314 O O . ASP B 1 191 ? 69.246 13.258 50.574 1.00 11.02 ? 191 ASP B O 1 +ATOM 3315 C CB . ASP B 1 191 ? 67.176 15.460 51.490 1.00 11.26 ? 191 ASP B CB 1 +ATOM 3316 C CG . ASP B 1 191 ? 66.905 16.531 52.533 1.00 11.43 ? 191 ASP B CG 1 +ATOM 3317 O OD1 . ASP B 1 191 ? 67.878 17.050 53.114 1.00 11.91 ? 191 ASP B OD1 1 +ATOM 3318 O OD2 . ASP B 1 191 ? 65.722 16.844 52.783 1.00 12.17 ? 191 ASP B OD2 1 +ATOM 3319 N N . MET B 1 192 ? 68.654 14.443 48.755 1.00 10.72 ? 192 MET B N 1 +ATOM 3320 C CA . MET B 1 192 ? 68.875 13.332 47.836 1.00 10.60 ? 192 MET B CA 1 +ATOM 3321 C C . MET B 1 192 ? 70.307 13.307 47.312 1.00 10.61 ? 192 MET B C 1 +ATOM 3322 O O . MET B 1 192 ? 70.717 12.352 46.647 1.00 10.63 ? 192 MET B O 1 +ATOM 3323 C CB . MET B 1 192 ? 67.884 13.404 46.667 1.00 10.52 ? 192 MET B CB 1 +ATOM 3324 C CG . MET B 1 192 ? 66.441 13.126 47.074 1.00 10.25 ? 192 MET B CG 1 +ATOM 3325 S SD . MET B 1 192 ? 65.256 13.131 45.700 1.00 10.42 ? 192 MET B SD 1 +ATOM 3326 C CE . MET B 1 192 ? 65.577 11.523 44.968 1.00 10.13 ? 192 MET B CE 1 +ATOM 3327 N N . GLY B 1 193 ? 71.061 14.359 47.620 1.00 10.50 ? 193 GLY B N 1 +ATOM 3328 C CA . GLY B 1 193 ? 72.446 14.449 47.189 1.00 10.69 ? 193 GLY B CA 1 +ATOM 3329 C C . GLY B 1 193 ? 72.619 14.519 45.685 1.00 10.70 ? 193 GLY B C 1 +ATOM 3330 O O . GLY B 1 193 ? 73.592 13.995 45.142 1.00 10.92 ? 193 GLY B O 1 +ATOM 3331 N N . VAL B 1 194 ? 71.686 15.182 45.009 1.00 10.69 ? 194 VAL B N 1 +ATOM 3332 C CA . VAL B 1 194 ? 71.736 15.297 43.555 1.00 10.71 ? 194 VAL B CA 1 +ATOM 3333 C C . VAL B 1 194 ? 71.979 16.725 43.063 1.00 10.88 ? 194 VAL B C 1 +ATOM 3334 O O . VAL B 1 194 ? 71.654 17.052 41.921 1.00 10.69 ? 194 VAL B O 1 +ATOM 3335 C CB . VAL B 1 194 ? 70.421 14.775 42.922 1.00 10.64 ? 194 VAL B CB 1 +ATOM 3336 C CG1 . VAL B 1 194 ? 70.217 13.308 43.281 1.00 10.71 ? 194 VAL B CG1 1 +ATOM 3337 C CG2 . VAL B 1 194 ? 69.239 15.608 43.406 1.00 10.52 ? 194 VAL B CG2 1 +ATOM 3338 N N . GLU B 1 195 ? 72.561 17.568 43.911 1.00 11.20 ? 195 GLU B N 1 +ATOM 3339 C CA . GLU B 1 195 ? 72.810 18.956 43.530 1.00 11.72 ? 195 GLU B CA 1 +ATOM 3340 C C . GLU B 1 195 ? 73.721 19.113 42.312 1.00 11.58 ? 195 GLU B C 1 +ATOM 3341 O O . GLU B 1 195 ? 73.665 20.127 41.619 1.00 11.51 ? 195 GLU B O 1 +ATOM 3342 C CB . GLU B 1 195 ? 73.396 19.748 44.707 1.00 12.56 ? 195 GLU B CB 1 +ATOM 3343 C CG . GLU B 1 195 ? 74.804 19.339 45.106 1.00 14.04 ? 195 GLU B CG 1 +ATOM 3344 C CD . GLU B 1 195 ? 74.832 18.341 46.247 1.00 14.74 ? 195 GLU B CD 1 +ATOM 3345 O OE1 . GLU B 1 195 ? 73.966 17.443 46.289 1.00 15.45 ? 195 GLU B OE1 1 +ATOM 3346 O OE2 . GLU B 1 195 ? 75.736 18.449 47.104 1.00 16.07 ? 195 GLU B OE2 1 +ATOM 3347 N N . LYS B 1 196 ? 74.561 18.122 42.046 1.00 11.49 ? 196 LYS B N 1 +ATOM 3348 C CA . LYS B 1 196 ? 75.457 18.213 40.898 1.00 11.52 ? 196 LYS B CA 1 +ATOM 3349 C C . LYS B 1 196 ? 74.745 17.960 39.575 1.00 10.99 ? 196 LYS B C 1 +ATOM 3350 O O . LYS B 1 196 ? 75.172 18.453 38.531 1.00 11.20 ? 196 LYS B O 1 +ATOM 3351 C CB . LYS B 1 196 ? 76.617 17.223 41.050 1.00 12.37 ? 196 LYS B CB 1 +ATOM 3352 C CG . LYS B 1 196 ? 77.605 17.598 42.144 1.00 13.57 ? 196 LYS B CG 1 +ATOM 3353 C CD . LYS B 1 196 ? 78.723 16.573 42.273 1.00 14.60 ? 196 LYS B CD 1 +ATOM 3354 C CE . LYS B 1 196 ? 78.212 15.262 42.851 1.00 15.27 ? 196 LYS B CE 1 +ATOM 3355 N NZ . LYS B 1 196 ? 77.673 15.440 44.230 1.00 16.07 ? 196 LYS B NZ 1 +ATOM 3356 N N . THR B 1 197 ? 73.646 17.213 39.621 1.00 10.29 ? 197 THR B N 1 +ATOM 3357 C CA . THR B 1 197 ? 72.906 16.872 38.410 1.00 9.72 ? 197 THR B CA 1 +ATOM 3358 C C . THR B 1 197 ? 71.508 17.475 38.272 1.00 9.12 ? 197 THR B C 1 +ATOM 3359 O O . THR B 1 197 ? 70.885 17.351 37.217 1.00 9.13 ? 197 THR B O 1 +ATOM 3360 C CB . THR B 1 197 ? 72.789 15.335 38.274 1.00 9.81 ? 197 THR B CB 1 +ATOM 3361 O OG1 . THR B 1 197 ? 72.228 14.784 39.474 1.00 10.05 ? 197 THR B OG1 1 +ATOM 3362 C CG2 . THR B 1 197 ? 74.163 14.719 38.035 1.00 10.20 ? 197 THR B CG2 1 +ATOM 3363 N N . VAL B 1 198 ? 71.014 18.130 39.317 1.00 8.39 ? 198 VAL B N 1 +ATOM 3364 C CA . VAL B 1 198 ? 69.680 18.719 39.267 1.00 7.90 ? 198 VAL B CA 1 +ATOM 3365 C C . VAL B 1 198 ? 69.680 20.194 39.647 1.00 7.51 ? 198 VAL B C 1 +ATOM 3366 O O . VAL B 1 198 ? 70.154 20.578 40.719 1.00 7.73 ? 198 VAL B O 1 +ATOM 3367 C CB . VAL B 1 198 ? 68.704 17.962 40.199 1.00 7.95 ? 198 VAL B CB 1 +ATOM 3368 C CG1 . VAL B 1 198 ? 67.299 18.547 40.077 1.00 7.97 ? 198 VAL B CG1 1 +ATOM 3369 C CG2 . VAL B 1 198 ? 68.699 16.485 39.846 1.00 8.29 ? 198 VAL B CG2 1 +ATOM 3370 N N . GLY B 1 199 ? 69.148 21.016 38.750 1.00 7.00 ? 199 GLY B N 1 +ATOM 3371 C CA . GLY B 1 199 ? 69.074 22.443 38.993 1.00 6.69 ? 199 GLY B CA 1 +ATOM 3372 C C . GLY B 1 199 ? 67.712 22.841 39.526 1.00 6.33 ? 199 GLY B C 1 +ATOM 3373 O O . GLY B 1 199 ? 66.786 22.029 39.578 1.00 6.39 ? 199 GLY B O 1 +ATOM 3374 N N . PHE B 1 200 ? 67.590 24.098 39.930 1.00 6.11 ? 200 PHE B N 1 +ATOM 3375 C CA . PHE B 1 200 ? 66.332 24.604 40.460 1.00 5.68 ? 200 PHE B CA 1 +ATOM 3376 C C . PHE B 1 200 ? 65.887 25.849 39.707 1.00 5.56 ? 200 PHE B C 1 +ATOM 3377 O O . PHE B 1 200 ? 66.707 26.693 39.350 1.00 5.38 ? 200 PHE B O 1 +ATOM 3378 C CB . PHE B 1 200 ? 66.469 24.933 41.948 1.00 5.79 ? 200 PHE B CB 1 +ATOM 3379 C CG . PHE B 1 200 ? 65.236 25.556 42.538 1.00 5.51 ? 200 PHE B CG 1 +ATOM 3380 C CD1 . PHE B 1 200 ? 64.049 24.833 42.618 1.00 5.62 ? 200 PHE B CD1 1 +ATOM 3381 C CD2 . PHE B 1 200 ? 65.238 26.885 42.947 1.00 5.64 ? 200 PHE B CD2 1 +ATOM 3382 C CE1 . PHE B 1 200 ? 62.882 25.425 43.087 1.00 5.58 ? 200 PHE B CE1 1 +ATOM 3383 C CE2 . PHE B 1 200 ? 64.075 27.489 43.419 1.00 5.41 ? 200 PHE B CE2 1 +ATOM 3384 C CZ . PHE B 1 200 ? 62.894 26.758 43.487 1.00 5.76 ? 200 PHE B CZ 1 +ATOM 3385 N N . LYS B 1 201 ? 64.584 25.963 39.468 1.00 5.46 ? 201 LYS B N 1 +ATOM 3386 C CA . LYS B 1 201 ? 64.046 27.112 38.757 1.00 5.51 ? 201 LYS B CA 1 +ATOM 3387 C C . LYS B 1 201 ? 62.755 27.661 39.354 1.00 5.51 ? 201 LYS B C 1 +ATOM 3388 O O . LYS B 1 201 ? 61.682 27.065 39.211 1.00 5.45 ? 201 LYS B O 1 +ATOM 3389 C CB . LYS B 1 201 ? 63.806 26.764 37.279 1.00 5.47 ? 201 LYS B CB 1 +ATOM 3390 C CG . LYS B 1 201 ? 63.157 27.889 36.464 1.00 5.41 ? 201 LYS B CG 1 +ATOM 3391 C CD . LYS B 1 201 ? 63.030 27.518 34.983 1.00 5.53 ? 201 LYS B CD 1 +ATOM 3392 C CE . LYS B 1 201 ? 62.233 28.574 34.217 1.00 5.89 ? 201 LYS B CE 1 +ATOM 3393 N NZ . LYS B 1 201 ? 62.066 28.237 32.767 1.00 6.27 ? 201 LYS B NZ 1 +ATOM 3394 N N . PRO B 1 202 ? 62.847 28.779 40.088 1.00 5.69 ? 202 PRO B N 1 +ATOM 3395 C CA . PRO B 1 202 ? 61.623 29.344 40.654 1.00 5.93 ? 202 PRO B CA 1 +ATOM 3396 C C . PRO B 1 202 ? 60.961 30.052 39.474 1.00 6.29 ? 202 PRO B C 1 +ATOM 3397 O O . PRO B 1 202 ? 61.644 30.704 38.683 1.00 6.35 ? 202 PRO B O 1 +ATOM 3398 C CB . PRO B 1 202 ? 62.146 30.313 41.711 1.00 5.82 ? 202 PRO B CB 1 +ATOM 3399 C CG . PRO B 1 202 ? 63.448 30.766 41.139 1.00 6.00 ? 202 PRO B CG 1 +ATOM 3400 C CD . PRO B 1 202 ? 64.039 29.486 40.592 1.00 5.78 ? 202 PRO B CD 1 +ATOM 3401 N N . ALA B 1 203 ? 59.647 29.913 39.334 1.00 6.63 ? 203 ALA B N 1 +ATOM 3402 C CA . ALA B 1 203 ? 58.956 30.539 38.216 1.00 7.27 ? 203 ALA B CA 1 +ATOM 3403 C C . ALA B 1 203 ? 57.579 31.066 38.592 1.00 7.90 ? 203 ALA B C 1 +ATOM 3404 O O . ALA B 1 203 ? 56.892 30.496 39.440 1.00 7.64 ? 203 ALA B O 1 +ATOM 3405 C CB . ALA B 1 203 ? 58.838 29.542 37.064 1.00 7.22 ? 203 ALA B CB 1 +ATOM 3406 N N . GLY B 1 204 ? 57.185 32.160 37.945 1.00 8.93 ? 204 GLY B N 1 +ATOM 3407 C CA . GLY B 1 204 ? 55.891 32.765 38.198 1.00 9.99 ? 204 GLY B CA 1 +ATOM 3408 C C . GLY B 1 204 ? 55.871 33.684 39.403 1.00 10.67 ? 204 GLY B C 1 +ATOM 3409 O O . GLY B 1 204 ? 56.226 33.276 40.507 1.00 10.99 ? 204 GLY B O 1 +ATOM 3410 N N . GLY B 1 205 ? 55.470 34.933 39.189 1.00 11.23 ? 205 GLY B N 1 +ATOM 3411 C CA . GLY B 1 205 ? 55.389 35.884 40.283 1.00 11.86 ? 205 GLY B CA 1 +ATOM 3412 C C . GLY B 1 205 ? 56.686 36.529 40.741 1.00 12.18 ? 205 GLY B C 1 +ATOM 3413 O O . GLY B 1 205 ? 56.657 37.426 41.587 1.00 12.60 ? 205 GLY B O 1 +ATOM 3414 N N . VAL B 1 206 ? 57.822 36.081 40.210 1.00 12.34 ? 206 VAL B N 1 +ATOM 3415 C CA . VAL B 1 206 ? 59.111 36.658 40.591 1.00 12.40 ? 206 VAL B CA 1 +ATOM 3416 C C . VAL B 1 206 ? 59.259 37.926 39.764 1.00 12.57 ? 206 VAL B C 1 +ATOM 3417 O O . VAL B 1 206 ? 59.617 37.865 38.591 1.00 12.46 ? 206 VAL B O 1 +ATOM 3418 C CB . VAL B 1 206 ? 60.273 35.696 40.268 1.00 12.28 ? 206 VAL B CB 1 +ATOM 3419 C CG1 . VAL B 1 206 ? 61.565 36.226 40.865 1.00 12.39 ? 206 VAL B CG1 1 +ATOM 3420 C CG2 . VAL B 1 206 ? 59.963 34.304 40.813 1.00 12.44 ? 206 VAL B CG2 1 +ATOM 3421 N N . ARG B 1 207 ? 58.995 39.077 40.375 1.00 12.92 ? 207 ARG B N 1 +ATOM 3422 C CA . ARG B 1 207 ? 59.044 40.328 39.631 1.00 13.31 ? 207 ARG B CA 1 +ATOM 3423 C C . ARG B 1 207 ? 60.051 41.392 40.051 1.00 12.98 ? 207 ARG B C 1 +ATOM 3424 O O . ARG B 1 207 ? 60.367 42.275 39.256 1.00 12.99 ? 207 ARG B O 1 +ATOM 3425 C CB . ARG B 1 207 ? 57.643 40.947 39.612 1.00 14.47 ? 207 ARG B CB 1 +ATOM 3426 C CG . ARG B 1 207 ? 56.555 39.963 39.204 1.00 15.75 ? 207 ARG B CG 1 +ATOM 3427 C CD . ARG B 1 207 ? 55.175 40.605 39.199 1.00 17.06 ? 207 ARG B CD 1 +ATOM 3428 N NE . ARG B 1 207 ? 54.111 39.610 39.067 1.00 18.25 ? 207 ARG B NE 1 +ATOM 3429 C CZ . ARG B 1 207 ? 53.966 38.793 38.027 1.00 18.59 ? 207 ARG B CZ 1 +ATOM 3430 N NH1 . ARG B 1 207 ? 54.816 38.844 37.011 1.00 19.25 ? 207 ARG B NH1 1 +ATOM 3431 N NH2 . ARG B 1 207 ? 52.970 37.917 38.006 1.00 19.15 ? 207 ARG B NH2 1 +ATOM 3432 N N . THR B 1 208 ? 60.559 41.323 41.277 1.00 12.68 ? 208 THR B N 1 +ATOM 3433 C CA . THR B 1 208 ? 61.502 42.341 41.736 1.00 12.44 ? 208 THR B CA 1 +ATOM 3434 C C . THR B 1 208 ? 62.912 41.842 42.013 1.00 12.14 ? 208 THR B C 1 +ATOM 3435 O O . THR B 1 208 ? 63.128 40.663 42.298 1.00 11.86 ? 208 THR B O 1 +ATOM 3436 C CB . THR B 1 208 ? 61.006 43.025 43.019 1.00 12.59 ? 208 THR B CB 1 +ATOM 3437 O OG1 . THR B 1 208 ? 61.142 42.124 44.122 1.00 12.91 ? 208 THR B OG1 1 +ATOM 3438 C CG2 . THR B 1 208 ? 59.546 43.421 42.880 1.00 12.72 ? 208 THR B CG2 1 +ATOM 3439 N N . ALA B 1 209 ? 63.870 42.761 41.937 1.00 11.96 ? 209 ALA B N 1 +ATOM 3440 C CA . ALA B 1 209 ? 65.267 42.436 42.194 1.00 11.92 ? 209 ALA B CA 1 +ATOM 3441 C C . ALA B 1 209 ? 65.392 41.918 43.623 1.00 11.92 ? 209 ALA B C 1 +ATOM 3442 O O . ALA B 1 209 ? 66.214 41.044 43.909 1.00 11.55 ? 209 ALA B O 1 +ATOM 3443 C CB . ALA B 1 209 ? 66.137 43.676 42.004 1.00 11.95 ? 209 ALA B CB 1 +ATOM 3444 N N . GLU B 1 210 ? 64.572 42.467 44.515 1.00 12.20 ? 210 GLU B N 1 +ATOM 3445 C CA . GLU B 1 210 ? 64.575 42.058 45.914 1.00 12.54 ? 210 GLU B CA 1 +ATOM 3446 C C . GLU B 1 210 ? 64.159 40.593 46.036 1.00 12.43 ? 210 GLU B C 1 +ATOM 3447 O O . GLU B 1 210 ? 64.710 39.855 46.849 1.00 12.36 ? 210 GLU B O 1 +ATOM 3448 C CB . GLU B 1 210 ? 63.619 42.930 46.738 1.00 13.17 ? 210 GLU B CB 1 +ATOM 3449 C CG . GLU B 1 210 ? 64.098 44.353 47.024 1.00 14.00 ? 210 GLU B CG 1 +ATOM 3450 C CD . GLU B 1 210 ? 64.117 45.245 45.795 1.00 14.40 ? 210 GLU B CD 1 +ATOM 3451 O OE1 . GLU B 1 210 ? 63.351 44.982 44.843 1.00 14.59 ? 210 GLU B OE1 1 +ATOM 3452 O OE2 . GLU B 1 210 ? 64.888 46.230 45.793 1.00 14.95 ? 210 GLU B OE2 1 +ATOM 3453 N N . ASP B 1 211 ? 63.183 40.178 45.229 1.00 12.38 ? 211 ASP B N 1 +ATOM 3454 C CA . ASP B 1 211 ? 62.721 38.791 45.255 1.00 12.41 ? 211 ASP B CA 1 +ATOM 3455 C C . ASP B 1 211 ? 63.842 37.876 44.782 1.00 11.75 ? 211 ASP B C 1 +ATOM 3456 O O . ASP B 1 211 ? 64.148 36.871 45.414 1.00 11.28 ? 211 ASP B O 1 +ATOM 3457 C CB . ASP B 1 211 ? 61.519 38.574 44.325 1.00 13.67 ? 211 ASP B CB 1 +ATOM 3458 C CG . ASP B 1 211 ? 60.298 39.378 44.727 1.00 14.72 ? 211 ASP B CG 1 +ATOM 3459 O OD1 . ASP B 1 211 ? 60.023 39.498 45.940 1.00 15.73 ? 211 ASP B OD1 1 +ATOM 3460 O OD2 . ASP B 1 211 ? 59.596 39.870 43.813 1.00 15.79 ? 211 ASP B OD2 1 +ATOM 3461 N N . ALA B 1 212 ? 64.441 38.228 43.649 1.00 11.00 ? 212 ALA B N 1 +ATOM 3462 C CA . ALA B 1 212 ? 65.518 37.431 43.079 1.00 10.72 ? 212 ALA B CA 1 +ATOM 3463 C C . ALA B 1 212 ? 66.652 37.224 44.075 1.00 10.59 ? 212 ALA B C 1 +ATOM 3464 O O . ALA B 1 212 ? 67.211 36.134 44.173 1.00 10.58 ? 212 ALA B O 1 +ATOM 3465 C CB . ALA B 1 212 ? 66.043 38.096 41.815 1.00 10.50 ? 212 ALA B CB 1 +ATOM 3466 N N . GLN B 1 213 ? 66.992 38.273 44.815 1.00 10.49 ? 213 GLN B N 1 +ATOM 3467 C CA . GLN B 1 213 ? 68.063 38.181 45.793 1.00 10.41 ? 213 GLN B CA 1 +ATOM 3468 C C . GLN B 1 213 ? 67.747 37.126 46.851 1.00 10.11 ? 213 GLN B C 1 +ATOM 3469 O O . GLN B 1 213 ? 68.622 36.361 47.255 1.00 10.05 ? 213 GLN B O 1 +ATOM 3470 C CB . GLN B 1 213 ? 68.284 39.543 46.450 1.00 10.89 ? 213 GLN B CB 1 +ATOM 3471 C CG . GLN B 1 213 ? 69.355 39.545 47.520 1.00 11.83 ? 213 GLN B CG 1 +ATOM 3472 C CD . GLN B 1 213 ? 69.625 40.931 48.056 1.00 12.70 ? 213 GLN B CD 1 +ATOM 3473 O OE1 . GLN B 1 213 ? 68.707 41.639 48.468 1.00 13.23 ? 213 GLN B OE1 1 +ATOM 3474 N NE2 . GLN B 1 213 ? 70.890 41.328 48.054 1.00 13.05 ? 213 GLN B NE2 1 +ATOM 3475 N N . LYS B 1 214 ? 66.492 37.084 47.290 1.00 9.82 ? 214 LYS B N 1 +ATOM 3476 C CA . LYS B 1 214 ? 66.067 36.116 48.295 1.00 9.88 ? 214 LYS B CA 1 +ATOM 3477 C C . LYS B 1 214 ? 66.178 34.682 47.791 1.00 9.31 ? 214 LYS B C 1 +ATOM 3478 O O . LYS B 1 214 ? 66.590 33.788 48.531 1.00 9.34 ? 214 LYS B O 1 +ATOM 3479 C CB . LYS B 1 214 ? 64.624 36.395 48.723 1.00 10.56 ? 214 LYS B CB 1 +ATOM 3480 C CG . LYS B 1 214 ? 64.437 37.729 49.426 1.00 11.91 ? 214 LYS B CG 1 +ATOM 3481 C CD . LYS B 1 214 ? 62.992 37.940 49.836 1.00 13.07 ? 214 LYS B CD 1 +ATOM 3482 C CE . LYS B 1 214 ? 62.806 39.309 50.463 1.00 13.87 ? 214 LYS B CE 1 +ATOM 3483 N NZ . LYS B 1 214 ? 63.745 39.517 51.597 1.00 14.92 ? 214 LYS B NZ 1 +ATOM 3484 N N . TYR B 1 215 ? 65.807 34.455 46.534 1.00 8.83 ? 215 TYR B N 1 +ATOM 3485 C CA . TYR B 1 215 ? 65.881 33.114 45.969 1.00 8.52 ? 215 TYR B CA 1 +ATOM 3486 C C . TYR B 1 215 ? 67.324 32.631 45.836 1.00 8.45 ? 215 TYR B C 1 +ATOM 3487 O O . TYR B 1 215 ? 67.628 31.467 46.104 1.00 8.30 ? 215 TYR B O 1 +ATOM 3488 C CB . TYR B 1 215 ? 65.166 33.079 44.614 1.00 8.17 ? 215 TYR B CB 1 +ATOM 3489 C CG . TYR B 1 215 ? 63.657 33.095 44.738 1.00 7.97 ? 215 TYR B CG 1 +ATOM 3490 C CD1 . TYR B 1 215 ? 62.972 32.014 45.293 1.00 7.79 ? 215 TYR B CD1 1 +ATOM 3491 C CD2 . TYR B 1 215 ? 62.915 34.202 44.328 1.00 7.96 ? 215 TYR B CD2 1 +ATOM 3492 C CE1 . TYR B 1 215 ? 61.587 32.035 45.441 1.00 8.15 ? 215 TYR B CE1 1 +ATOM 3493 C CE2 . TYR B 1 215 ? 61.528 34.236 44.472 1.00 8.03 ? 215 TYR B CE2 1 +ATOM 3494 C CZ . TYR B 1 215 ? 60.871 33.151 45.030 1.00 7.94 ? 215 TYR B CZ 1 +ATOM 3495 O OH . TYR B 1 215 ? 59.501 33.188 45.183 1.00 8.51 ? 215 TYR B OH 1 +ATOM 3496 N N . LEU B 1 216 ? 68.221 33.523 45.432 1.00 8.49 ? 216 LEU B N 1 +ATOM 3497 C CA . LEU B 1 216 ? 69.623 33.151 45.295 1.00 8.69 ? 216 LEU B CA 1 +ATOM 3498 C C . LEU B 1 216 ? 70.272 32.946 46.663 1.00 8.69 ? 216 LEU B C 1 +ATOM 3499 O O . LEU B 1 216 ? 71.192 32.140 46.803 1.00 8.83 ? 216 LEU B O 1 +ATOM 3500 C CB . LEU B 1 216 ? 70.380 34.219 44.502 1.00 8.86 ? 216 LEU B CB 1 +ATOM 3501 C CG . LEU B 1 216 ? 70.146 34.199 42.989 1.00 8.81 ? 216 LEU B CG 1 +ATOM 3502 C CD1 . LEU B 1 216 ? 70.781 35.419 42.350 1.00 9.32 ? 216 LEU B CD1 1 +ATOM 3503 C CD2 . LEU B 1 216 ? 70.719 32.917 42.398 1.00 8.99 ? 216 LEU B CD2 1 +ATOM 3504 N N . ALA B 1 217 ? 69.785 33.670 47.668 1.00 8.74 ? 217 ALA B N 1 +ATOM 3505 C CA . ALA B 1 217 ? 70.317 33.549 49.022 1.00 8.71 ? 217 ALA B CA 1 +ATOM 3506 C C . ALA B 1 217 ? 70.080 32.131 49.535 1.00 8.79 ? 217 ALA B C 1 +ATOM 3507 O O . ALA B 1 217 ? 70.922 31.561 50.224 1.00 8.77 ? 217 ALA B O 1 +ATOM 3508 C CB . ALA B 1 217 ? 69.650 34.563 49.944 1.00 8.84 ? 217 ALA B CB 1 +ATOM 3509 N N . ILE B 1 218 ? 68.926 31.564 49.202 1.00 8.79 ? 218 ILE B N 1 +ATOM 3510 C CA . ILE B 1 218 ? 68.609 30.205 49.623 1.00 9.07 ? 218 ILE B CA 1 +ATOM 3511 C C . ILE B 1 218 ? 69.578 29.232 48.952 1.00 9.34 ? 218 ILE B C 1 +ATOM 3512 O O . ILE B 1 218 ? 70.093 28.317 49.595 1.00 9.35 ? 218 ILE B O 1 +ATOM 3513 C CB . ILE B 1 218 ? 67.154 29.829 49.253 1.00 9.05 ? 218 ILE B CB 1 +ATOM 3514 C CG1 . ILE B 1 218 ? 66.177 30.751 49.989 1.00 9.14 ? 218 ILE B CG1 1 +ATOM 3515 C CG2 . ILE B 1 218 ? 66.880 28.377 49.622 1.00 8.92 ? 218 ILE B CG2 1 +ATOM 3516 C CD1 . ILE B 1 218 ? 64.730 30.598 49.554 1.00 9.63 ? 218 ILE B CD1 1 +ATOM 3517 N N . ALA B 1 219 ? 69.829 29.436 47.661 1.00 9.60 ? 219 ALA B N 1 +ATOM 3518 C CA . ALA B 1 219 ? 70.750 28.574 46.926 1.00 9.73 ? 219 ALA B CA 1 +ATOM 3519 C C . ALA B 1 219 ? 72.155 28.651 47.523 1.00 10.11 ? 219 ALA B C 1 +ATOM 3520 O O . ALA B 1 219 ? 72.794 27.624 47.754 1.00 10.01 ? 219 ALA B O 1 +ATOM 3521 C CB . ALA B 1 219 ? 70.784 28.968 45.450 1.00 9.77 ? 219 ALA B CB 1 +ATOM 3522 N N . ASP B 1 220 ? 72.634 29.868 47.772 1.00 10.45 ? 220 ASP B N 1 +ATOM 3523 C CA . ASP B 1 220 ? 73.965 30.054 48.345 1.00 10.94 ? 220 ASP B CA 1 +ATOM 3524 C C . ASP B 1 220 ? 74.071 29.397 49.718 1.00 11.26 ? 220 ASP B C 1 +ATOM 3525 O O . ASP B 1 220 ? 75.086 28.785 50.045 1.00 11.32 ? 220 ASP B O 1 +ATOM 3526 C CB . ASP B 1 220 ? 74.299 31.546 48.473 1.00 11.09 ? 220 ASP B CB 1 +ATOM 3527 C CG . ASP B 1 220 ? 74.461 32.231 47.128 1.00 11.47 ? 220 ASP B CG 1 +ATOM 3528 O OD1 . ASP B 1 220 ? 74.565 31.528 46.100 1.00 11.62 ? 220 ASP B OD1 1 +ATOM 3529 O OD2 . ASP B 1 220 ? 74.496 33.481 47.102 1.00 11.72 ? 220 ASP B OD2 1 +ATOM 3530 N N . GLU B 1 221 ? 73.017 29.523 50.515 1.00 11.56 ? 221 GLU B N 1 +ATOM 3531 C CA . GLU B 1 221 ? 72.992 28.951 51.858 1.00 12.13 ? 221 GLU B CA 1 +ATOM 3532 C C . GLU B 1 221 ? 73.118 27.433 51.846 1.00 12.15 ? 221 GLU B C 1 +ATOM 3533 O O . GLU B 1 221 ? 73.906 26.856 52.599 1.00 12.21 ? 221 GLU B O 1 +ATOM 3534 C CB . GLU B 1 221 ? 71.691 29.336 52.564 1.00 12.72 ? 221 GLU B CB 1 +ATOM 3535 C CG . GLU B 1 221 ? 71.567 28.799 53.982 1.00 14.05 ? 221 GLU B CG 1 +ATOM 3536 C CD . GLU B 1 221 ? 70.142 28.844 54.501 1.00 14.70 ? 221 GLU B CD 1 +ATOM 3537 O OE1 . GLU B 1 221 ? 69.495 29.905 54.387 1.00 15.70 ? 221 GLU B OE1 1 +ATOM 3538 O OE2 . GLU B 1 221 ? 69.666 27.816 55.031 1.00 15.45 ? 221 GLU B OE2 1 +ATOM 3539 N N . LEU B 1 222 ? 72.339 26.789 50.984 1.00 12.06 ? 222 LEU B N 1 +ATOM 3540 C CA . LEU B 1 222 ? 72.337 25.337 50.896 1.00 12.16 ? 222 LEU B CA 1 +ATOM 3541 C C . LEU B 1 222 ? 73.485 24.690 50.135 1.00 12.12 ? 222 LEU B C 1 +ATOM 3542 O O . LEU B 1 222 ? 73.966 23.630 50.534 1.00 12.21 ? 222 LEU B O 1 +ATOM 3543 C CB . LEU B 1 222 ? 71.019 24.849 50.283 1.00 12.39 ? 222 LEU B CB 1 +ATOM 3544 C CG . LEU B 1 222 ? 69.783 24.709 51.173 1.00 12.68 ? 222 LEU B CG 1 +ATOM 3545 C CD1 . LEU B 1 222 ? 69.401 26.051 51.766 1.00 13.07 ? 222 LEU B CD1 1 +ATOM 3546 C CD2 . LEU B 1 222 ? 68.637 24.147 50.349 1.00 12.87 ? 222 LEU B CD2 1 +ATOM 3547 N N . PHE B 1 223 ? 73.938 25.317 49.053 1.00 12.00 ? 223 PHE B N 1 +ATOM 3548 C CA . PHE B 1 223 ? 74.985 24.707 48.238 1.00 12.00 ? 223 PHE B CA 1 +ATOM 3549 C C . PHE B 1 223 ? 76.285 25.481 48.045 1.00 12.12 ? 223 PHE B C 1 +ATOM 3550 O O . PHE B 1 223 ? 77.169 25.027 47.318 1.00 12.38 ? 223 PHE B O 1 +ATOM 3551 C CB . PHE B 1 223 ? 74.402 24.376 46.863 1.00 11.97 ? 223 PHE B CB 1 +ATOM 3552 C CG . PHE B 1 223 ? 73.151 23.546 46.921 1.00 11.90 ? 223 PHE B CG 1 +ATOM 3553 C CD1 . PHE B 1 223 ? 73.185 22.249 47.417 1.00 11.96 ? 223 PHE B CD1 1 +ATOM 3554 C CD2 . PHE B 1 223 ? 71.936 24.067 46.488 1.00 11.91 ? 223 PHE B CD2 1 +ATOM 3555 C CE1 . PHE B 1 223 ? 72.027 21.479 47.481 1.00 12.11 ? 223 PHE B CE1 1 +ATOM 3556 C CE2 . PHE B 1 223 ? 70.771 23.303 46.551 1.00 12.01 ? 223 PHE B CE2 1 +ATOM 3557 C CZ . PHE B 1 223 ? 70.819 22.008 47.048 1.00 11.95 ? 223 PHE B CZ 1 +ATOM 3558 N N . GLY B 1 224 ? 76.414 26.633 48.690 1.00 12.36 ? 224 GLY B N 1 +ATOM 3559 C CA . GLY B 1 224 ? 77.619 27.425 48.520 1.00 12.56 ? 224 GLY B CA 1 +ATOM 3560 C C . GLY B 1 224 ? 77.384 28.453 47.429 1.00 12.85 ? 224 GLY B C 1 +ATOM 3561 O O . GLY B 1 224 ? 76.579 28.225 46.528 1.00 12.82 ? 224 GLY B O 1 +ATOM 3562 N N . ALA B 1 225 ? 78.097 29.572 47.497 1.00 13.11 ? 225 ALA B N 1 +ATOM 3563 C CA . ALA B 1 225 ? 77.939 30.658 46.534 1.00 13.44 ? 225 ALA B CA 1 +ATOM 3564 C C . ALA B 1 225 ? 78.286 30.368 45.073 1.00 13.59 ? 225 ALA B C 1 +ATOM 3565 O O . ALA B 1 225 ? 77.899 31.136 44.193 1.00 13.85 ? 225 ALA B O 1 +ATOM 3566 C CB . ALA B 1 225 ? 78.723 31.873 47.012 1.00 13.77 ? 225 ALA B CB 1 +ATOM 3567 N N . ASP B 1 226 ? 79.002 29.281 44.801 1.00 13.59 ? 226 ASP B N 1 +ATOM 3568 C CA . ASP B 1 226 ? 79.381 28.967 43.421 1.00 13.65 ? 226 ASP B CA 1 +ATOM 3569 C C . ASP B 1 226 ? 78.467 27.974 42.710 1.00 13.11 ? 226 ASP B C 1 +ATOM 3570 O O . ASP B 1 226 ? 78.607 27.750 41.506 1.00 13.40 ? 226 ASP B O 1 +ATOM 3571 C CB . ASP B 1 226 ? 80.815 28.426 43.371 1.00 14.70 ? 226 ASP B CB 1 +ATOM 3572 C CG . ASP B 1 226 ? 81.835 29.427 43.871 1.00 15.51 ? 226 ASP B CG 1 +ATOM 3573 O OD1 . ASP B 1 226 ? 81.851 30.568 43.361 1.00 16.46 ? 226 ASP B OD1 1 +ATOM 3574 O OD2 . ASP B 1 226 ? 82.628 29.068 44.767 1.00 16.84 ? 226 ASP B OD2 1 +ATOM 3575 N N . TRP B 1 227 ? 77.525 27.394 43.441 1.00 12.39 ? 227 TRP B N 1 +ATOM 3576 C CA . TRP B 1 227 ? 76.622 26.400 42.871 1.00 11.62 ? 227 TRP B CA 1 +ATOM 3577 C C . TRP B 1 227 ? 75.645 26.899 41.804 1.00 11.33 ? 227 TRP B C 1 +ATOM 3578 O O . TRP B 1 227 ? 75.480 26.266 40.760 1.00 11.27 ? 227 TRP B O 1 +ATOM 3579 C CB . TRP B 1 227 ? 75.814 25.736 43.986 1.00 11.16 ? 227 TRP B CB 1 +ATOM 3580 C CG . TRP B 1 227 ? 74.942 24.619 43.504 1.00 10.84 ? 227 TRP B CG 1 +ATOM 3581 C CD1 . TRP B 1 227 ? 75.337 23.350 43.192 1.00 10.68 ? 227 TRP B CD1 1 +ATOM 3582 C CD2 . TRP B 1 227 ? 73.531 24.672 43.262 1.00 10.65 ? 227 TRP B CD2 1 +ATOM 3583 N NE1 . TRP B 1 227 ? 74.260 22.608 42.774 1.00 10.80 ? 227 TRP B NE1 1 +ATOM 3584 C CE2 . TRP B 1 227 ? 73.138 23.394 42.806 1.00 10.52 ? 227 TRP B CE2 1 +ATOM 3585 C CE3 . TRP B 1 227 ? 72.561 25.674 43.385 1.00 10.52 ? 227 TRP B CE3 1 +ATOM 3586 C CZ2 . TRP B 1 227 ? 71.812 23.090 42.473 1.00 10.47 ? 227 TRP B CZ2 1 +ATOM 3587 C CZ3 . TRP B 1 227 ? 71.240 25.372 43.053 1.00 10.53 ? 227 TRP B CZ3 1 +ATOM 3588 C CH2 . TRP B 1 227 ? 70.880 24.090 42.603 1.00 10.47 ? 227 TRP B CH2 1 +ATOM 3589 N N . ALA B 1 228 ? 75.006 28.033 42.066 1.00 10.93 ? 228 ALA B N 1 +ATOM 3590 C CA . ALA B 1 228 ? 73.998 28.574 41.159 1.00 10.79 ? 228 ALA B CA 1 +ATOM 3591 C C . ALA B 1 228 ? 74.432 29.138 39.809 1.00 10.62 ? 228 ALA B C 1 +ATOM 3592 O O . ALA B 1 228 ? 74.253 30.329 39.549 1.00 10.94 ? 228 ALA B O 1 +ATOM 3593 C CB . ALA B 1 228 ? 73.160 29.613 41.899 1.00 10.50 ? 228 ALA B CB 1 +ATOM 3594 N N . ASP B 1 229 ? 74.990 28.285 38.953 1.00 10.55 ? 229 ASP B N 1 +ATOM 3595 C CA . ASP B 1 229 ? 75.383 28.702 37.610 1.00 10.25 ? 229 ASP B CA 1 +ATOM 3596 C C . ASP B 1 229 ? 74.217 28.359 36.678 1.00 9.96 ? 229 ASP B C 1 +ATOM 3597 O O . ASP B 1 229 ? 73.200 27.829 37.127 1.00 9.54 ? 229 ASP B O 1 +ATOM 3598 C CB . ASP B 1 229 ? 76.662 27.987 37.151 1.00 10.99 ? 229 ASP B CB 1 +ATOM 3599 C CG . ASP B 1 229 ? 76.582 26.485 37.299 1.00 11.55 ? 229 ASP B CG 1 +ATOM 3600 O OD1 . ASP B 1 229 ? 75.496 25.916 37.071 1.00 12.18 ? 229 ASP B OD1 1 +ATOM 3601 O OD2 . ASP B 1 229 ? 77.618 25.870 37.631 1.00 12.63 ? 229 ASP B OD2 1 +ATOM 3602 N N . ALA B 1 230 ? 74.364 28.646 35.389 1.00 9.38 ? 230 ALA B N 1 +ATOM 3603 C CA . ALA B 1 230 ? 73.297 28.394 34.417 1.00 9.03 ? 230 ALA B CA 1 +ATOM 3604 C C . ALA B 1 230 ? 72.774 26.959 34.355 1.00 8.75 ? 230 ALA B C 1 +ATOM 3605 O O . ALA B 1 230 ? 71.599 26.736 34.063 1.00 8.59 ? 230 ALA B O 1 +ATOM 3606 C CB . ALA B 1 230 ? 73.751 28.831 33.035 1.00 9.26 ? 230 ALA B CB 1 +ATOM 3607 N N . ARG B 1 231 ? 73.635 25.984 34.616 1.00 8.41 ? 231 ARG B N 1 +ATOM 3608 C CA . ARG B 1 231 ? 73.208 24.589 34.576 1.00 8.28 ? 231 ARG B CA 1 +ATOM 3609 C C . ARG B 1 231 ? 72.420 24.181 35.821 1.00 8.10 ? 231 ARG B C 1 +ATOM 3610 O O . ARG B 1 231 ? 71.699 23.185 35.808 1.00 8.22 ? 231 ARG B O 1 +ATOM 3611 C CB . ARG B 1 231 ? 74.429 23.673 34.415 1.00 8.62 ? 231 ARG B CB 1 +ATOM 3612 C CG . ARG B 1 231 ? 74.132 22.179 34.559 1.00 8.59 ? 231 ARG B CG 1 +ATOM 3613 C CD . ARG B 1 231 ? 73.192 21.665 33.474 1.00 8.93 ? 231 ARG B CD 1 +ATOM 3614 N NE . ARG B 1 231 ? 72.874 20.248 33.648 1.00 9.28 ? 231 ARG B NE 1 +ATOM 3615 C CZ . ARG B 1 231 ? 71.973 19.769 34.503 1.00 9.23 ? 231 ARG B CZ 1 +ATOM 3616 N NH1 . ARG B 1 231 ? 71.277 20.590 35.279 1.00 8.96 ? 231 ARG B NH1 1 +ATOM 3617 N NH2 . ARG B 1 231 ? 71.768 18.460 34.587 1.00 9.20 ? 231 ARG B NH2 1 +ATOM 3618 N N . HIS B 1 232 ? 72.531 24.965 36.888 1.00 7.80 ? 232 HIS B N 1 +ATOM 3619 C CA . HIS B 1 232 ? 71.850 24.620 38.131 1.00 7.55 ? 232 HIS B CA 1 +ATOM 3620 C C . HIS B 1 232 ? 70.820 25.609 38.647 1.00 7.26 ? 232 HIS B C 1 +ATOM 3621 O O . HIS B 1 232 ? 70.159 25.343 39.652 1.00 7.05 ? 232 HIS B O 1 +ATOM 3622 C CB . HIS B 1 232 ? 72.896 24.376 39.215 1.00 8.03 ? 232 HIS B CB 1 +ATOM 3623 C CG . HIS B 1 232 ? 73.876 23.305 38.860 1.00 8.69 ? 232 HIS B CG 1 +ATOM 3624 N ND1 . HIS B 1 232 ? 73.665 21.974 39.152 1.00 9.50 ? 232 HIS B ND1 1 +ATOM 3625 C CD2 . HIS B 1 232 ? 75.035 23.358 38.163 1.00 8.80 ? 232 HIS B CD2 1 +ATOM 3626 C CE1 . HIS B 1 232 ? 74.652 21.256 38.649 1.00 8.84 ? 232 HIS B CE1 1 +ATOM 3627 N NE2 . HIS B 1 232 ? 75.495 22.071 38.042 1.00 9.61 ? 232 HIS B NE2 1 +ATOM 3628 N N . TYR B 1 233 ? 70.667 26.743 37.976 1.00 6.91 ? 233 TYR B N 1 +ATOM 3629 C CA . TYR B 1 233 ? 69.705 27.722 38.449 1.00 6.79 ? 233 TYR B CA 1 +ATOM 3630 C C . TYR B 1 233 ? 69.203 28.623 37.334 1.00 6.46 ? 233 TYR B C 1 +ATOM 3631 O O . TYR B 1 233 ? 69.983 29.077 36.500 1.00 6.63 ? 233 TYR B O 1 +ATOM 3632 C CB . TYR B 1 233 ? 70.342 28.577 39.555 1.00 6.99 ? 233 TYR B CB 1 +ATOM 3633 C CG . TYR B 1 233 ? 69.337 29.179 40.507 1.00 7.20 ? 233 TYR B CG 1 +ATOM 3634 C CD1 . TYR B 1 233 ? 68.536 30.257 40.128 1.00 7.59 ? 233 TYR B CD1 1 +ATOM 3635 C CD2 . TYR B 1 233 ? 69.137 28.621 41.770 1.00 7.57 ? 233 TYR B CD2 1 +ATOM 3636 C CE1 . TYR B 1 233 ? 67.555 30.759 40.984 1.00 7.92 ? 233 TYR B CE1 1 +ATOM 3637 C CE2 . TYR B 1 233 ? 68.164 29.113 42.629 1.00 8.06 ? 233 TYR B CE2 1 +ATOM 3638 C CZ . TYR B 1 233 ? 67.374 30.177 42.229 1.00 8.25 ? 233 TYR B CZ 1 +ATOM 3639 O OH . TYR B 1 233 ? 66.382 30.625 43.067 1.00 9.00 ? 233 TYR B OH 1 +ATOM 3640 N N . ARG B 1 234 ? 67.894 28.861 37.316 1.00 6.23 ? 234 ARG B N 1 +ATOM 3641 C CA . ARG B 1 234 ? 67.272 29.748 36.334 1.00 6.12 ? 234 ARG B CA 1 +ATOM 3642 C C . ARG B 1 234 ? 66.091 30.461 36.967 1.00 6.23 ? 234 ARG B C 1 +ATOM 3643 O O . ARG B 1 234 ? 65.456 29.942 37.882 1.00 6.33 ? 234 ARG B O 1 +ATOM 3644 C CB . ARG B 1 234 ? 66.732 28.980 35.127 1.00 5.92 ? 234 ARG B CB 1 +ATOM 3645 C CG . ARG B 1 234 ? 67.739 28.185 34.345 1.00 5.61 ? 234 ARG B CG 1 +ATOM 3646 C CD . ARG B 1 234 ? 68.727 29.025 33.552 1.00 5.94 ? 234 ARG B CD 1 +ATOM 3647 N NE . ARG B 1 234 ? 69.606 28.092 32.860 1.00 5.67 ? 234 ARG B NE 1 +ATOM 3648 C CZ . ARG B 1 234 ? 69.272 27.422 31.761 1.00 6.01 ? 234 ARG B CZ 1 +ATOM 3649 N NH1 . ARG B 1 234 ? 68.086 27.604 31.191 1.00 5.86 ? 234 ARG B NH1 1 +ATOM 3650 N NH2 . ARG B 1 234 ? 70.086 26.490 31.291 1.00 6.23 ? 234 ARG B NH2 1 +ATOM 3651 N N . PHE B 1 235 ? 65.803 31.656 36.471 1.00 6.47 ? 235 PHE B N 1 +ATOM 3652 C CA . PHE B 1 235 ? 64.656 32.416 36.938 1.00 6.55 ? 235 PHE B CA 1 +ATOM 3653 C C . PHE B 1 235 ? 63.627 32.416 35.814 1.00 6.67 ? 235 PHE B C 1 +ATOM 3654 O O . PHE B 1 235 ? 63.902 32.913 34.722 1.00 6.77 ? 235 PHE B O 1 +ATOM 3655 C CB . PHE B 1 235 ? 65.048 33.860 37.257 1.00 6.59 ? 235 PHE B CB 1 +ATOM 3656 C CG . PHE B 1 235 ? 65.607 34.046 38.636 1.00 6.57 ? 235 PHE B CG 1 +ATOM 3657 C CD1 . PHE B 1 235 ? 64.776 33.977 39.752 1.00 6.87 ? 235 PHE B CD1 1 +ATOM 3658 C CD2 . PHE B 1 235 ? 66.962 34.277 38.823 1.00 6.76 ? 235 PHE B CD2 1 +ATOM 3659 C CE1 . PHE B 1 235 ? 65.291 34.138 41.038 1.00 6.97 ? 235 PHE B CE1 1 +ATOM 3660 C CE2 . PHE B 1 235 ? 67.490 34.439 40.107 1.00 6.97 ? 235 PHE B CE2 1 +ATOM 3661 C CZ . PHE B 1 235 ? 66.653 34.370 41.214 1.00 6.87 ? 235 PHE B CZ 1 +ATOM 3662 N N . GLY B 1 236 ? 62.461 31.830 36.071 1.00 6.84 ? 236 GLY B N 1 +ATOM 3663 C CA . GLY B 1 236 ? 61.406 31.827 35.072 1.00 7.22 ? 236 GLY B CA 1 +ATOM 3664 C C . GLY B 1 236 ? 60.664 33.125 35.312 1.00 7.50 ? 236 GLY B C 1 +ATOM 3665 O O . GLY B 1 236 ? 59.853 33.218 36.235 1.00 7.51 ? 236 GLY B O 1 +ATOM 3666 N N . ALA B 1 237 ? 60.942 34.135 34.495 1.00 7.70 ? 237 ALA B N 1 +ATOM 3667 C CA . ALA B 1 237 ? 60.320 35.436 34.693 1.00 7.96 ? 237 ALA B CA 1 +ATOM 3668 C C . ALA B 1 237 ? 60.308 36.312 33.447 1.00 8.33 ? 237 ALA B C 1 +ATOM 3669 O O . ALA B 1 237 ? 60.886 35.967 32.417 1.00 7.62 ? 237 ALA B O 1 +ATOM 3670 C CB . ALA B 1 237 ? 61.031 36.161 35.827 1.00 8.16 ? 237 ALA B CB 1 +ATOM 3671 N N . SER B 1 238 ? 59.654 37.463 33.567 1.00 8.82 ? 238 SER B N 1 +ATOM 3672 C CA . SER B 1 238 ? 59.533 38.408 32.468 1.00 9.58 ? 238 SER B CA 1 +ATOM 3673 C C . SER B 1 238 ? 59.847 39.835 32.911 1.00 9.82 ? 238 SER B C 1 +ATOM 3674 O O . SER B 1 238 ? 60.942 40.339 32.658 1.00 10.22 ? 238 SER B O 1 +ATOM 3675 C CB . SER B 1 238 ? 58.118 38.342 31.884 1.00 9.76 ? 238 SER B CB 1 +ATOM 3676 O OG . SER B 1 238 ? 57.131 38.534 32.890 1.00 10.53 ? 238 SER B OG 1 +ATOM 3677 N N . SER B 1 239 ? 58.893 40.477 33.581 1.00 10.30 ? 239 SER B N 1 +ATOM 3678 C CA . SER B 1 239 ? 59.075 41.852 34.038 1.00 10.75 ? 239 SER B CA 1 +ATOM 3679 C C . SER B 1 239 ? 60.241 41.985 35.011 1.00 10.51 ? 239 SER B C 1 +ATOM 3680 O O . SER B 1 239 ? 60.717 43.090 35.269 1.00 10.74 ? 239 SER B O 1 +ATOM 3681 C CB . SER B 1 239 ? 57.790 42.379 34.687 1.00 11.30 ? 239 SER B CB 1 +ATOM 3682 O OG . SER B 1 239 ? 57.482 41.673 35.871 1.00 12.93 ? 239 SER B OG 1 +ATOM 3683 N N . LEU B 1 240 ? 60.693 40.858 35.554 1.00 10.24 ? 240 LEU B N 1 +ATOM 3684 C CA . LEU B 1 240 ? 61.822 40.858 36.477 1.00 9.81 ? 240 LEU B CA 1 +ATOM 3685 C C . LEU B 1 240 ? 63.034 41.528 35.835 1.00 10.05 ? 240 LEU B C 1 +ATOM 3686 O O . LEU B 1 240 ? 63.783 42.241 36.501 1.00 9.87 ? 240 LEU B O 1 +ATOM 3687 C CB . LEU B 1 240 ? 62.194 39.423 36.870 1.00 9.33 ? 240 LEU B CB 1 +ATOM 3688 C CG . LEU B 1 240 ? 63.474 39.261 37.703 1.00 8.87 ? 240 LEU B CG 1 +ATOM 3689 C CD1 . LEU B 1 240 ? 63.323 39.953 39.057 1.00 8.88 ? 240 LEU B CD1 1 +ATOM 3690 C CD2 . LEU B 1 240 ? 63.766 37.784 37.892 1.00 8.94 ? 240 LEU B CD2 1 +ATOM 3691 N N . LEU B 1 241 ? 63.226 41.298 34.540 1.00 10.30 ? 241 LEU B N 1 +ATOM 3692 C CA . LEU B 1 241 ? 64.362 41.871 33.829 1.00 10.72 ? 241 LEU B CA 1 +ATOM 3693 C C . LEU B 1 241 ? 64.433 43.387 33.985 1.00 10.95 ? 241 LEU B C 1 +ATOM 3694 O O . LEU B 1 241 ? 65.498 43.941 34.264 1.00 10.89 ? 241 LEU B O 1 +ATOM 3695 C CB . LEU B 1 241 ? 64.300 41.498 32.346 1.00 10.94 ? 241 LEU B CB 1 +ATOM 3696 C CG . LEU B 1 241 ? 65.464 41.995 31.486 1.00 11.25 ? 241 LEU B CG 1 +ATOM 3697 C CD1 . LEU B 1 241 ? 66.779 41.465 32.038 1.00 11.50 ? 241 LEU B CD1 1 +ATOM 3698 C CD2 . LEU B 1 241 ? 65.264 41.544 30.047 1.00 11.53 ? 241 LEU B CD2 1 +ATOM 3699 N N . ALA B 1 242 ? 63.298 44.058 33.814 1.00 11.10 ? 242 ALA B N 1 +ATOM 3700 C CA . ALA B 1 242 ? 63.260 45.510 33.942 1.00 11.35 ? 242 ALA B CA 1 +ATOM 3701 C C . ALA B 1 242 ? 63.671 45.936 35.350 1.00 11.51 ? 242 ALA B C 1 +ATOM 3702 O O . ALA B 1 242 ? 64.370 46.937 35.527 1.00 11.79 ? 242 ALA B O 1 +ATOM 3703 C CB . ALA B 1 242 ? 61.863 46.028 33.620 1.00 11.42 ? 242 ALA B CB 1 +ATOM 3704 N N . SER B 1 243 ? 63.241 45.172 36.350 1.00 11.54 ? 243 SER B N 1 +ATOM 3705 C CA . SER B 1 243 ? 63.568 45.478 37.737 1.00 11.52 ? 243 SER B CA 1 +ATOM 3706 C C . SER B 1 243 ? 65.057 45.296 38.000 1.00 11.53 ? 243 SER B C 1 +ATOM 3707 O O . SER B 1 243 ? 65.680 46.099 38.697 1.00 11.43 ? 243 SER B O 1 +ATOM 3708 C CB . SER B 1 243 ? 62.765 44.581 38.682 1.00 11.58 ? 243 SER B CB 1 +ATOM 3709 O OG . SER B 1 243 ? 63.026 44.905 40.037 1.00 11.87 ? 243 SER B OG 1 +ATOM 3710 N N . LEU B 1 244 ? 65.629 44.235 37.446 1.00 11.38 ? 244 LEU B N 1 +ATOM 3711 C CA . LEU B 1 244 ? 67.048 43.971 37.623 1.00 11.54 ? 244 LEU B CA 1 +ATOM 3712 C C . LEU B 1 244 ? 67.864 45.069 36.945 1.00 11.97 ? 244 LEU B C 1 +ATOM 3713 O O . LEU B 1 244 ? 68.811 45.600 37.529 1.00 11.71 ? 244 LEU B O 1 +ATOM 3714 C CB . LEU B 1 244 ? 67.410 42.603 37.041 1.00 11.01 ? 244 LEU B CB 1 +ATOM 3715 C CG . LEU B 1 244 ? 66.778 41.393 37.737 1.00 10.71 ? 244 LEU B CG 1 +ATOM 3716 C CD1 . LEU B 1 244 ? 67.119 40.135 36.964 1.00 10.44 ? 244 LEU B CD1 1 +ATOM 3717 C CD2 . LEU B 1 244 ? 67.277 41.292 39.174 1.00 10.52 ? 244 LEU B CD2 1 +ATOM 3718 N N . LEU B 1 245 ? 67.490 45.419 35.720 1.00 12.47 ? 245 LEU B N 1 +ATOM 3719 C CA . LEU B 1 245 ? 68.205 46.460 34.994 1.00 13.32 ? 245 LEU B CA 1 +ATOM 3720 C C . LEU B 1 245 ? 68.130 47.790 35.734 1.00 13.88 ? 245 LEU B C 1 +ATOM 3721 O O . LEU B 1 245 ? 69.107 48.537 35.775 1.00 14.05 ? 245 LEU B O 1 +ATOM 3722 C CB . LEU B 1 245 ? 67.642 46.604 33.579 1.00 13.30 ? 245 LEU B CB 1 +ATOM 3723 C CG . LEU B 1 245 ? 68.040 45.479 32.619 1.00 13.24 ? 245 LEU B CG 1 +ATOM 3724 C CD1 . LEU B 1 245 ? 67.260 45.601 31.322 1.00 13.33 ? 245 LEU B CD1 1 +ATOM 3725 C CD2 . LEU B 1 245 ? 69.540 45.544 32.354 1.00 13.24 ? 245 LEU B CD2 1 +ATOM 3726 N N . LYS B 1 246 ? 66.979 48.082 36.332 1.00 14.59 ? 246 LYS B N 1 +ATOM 3727 C CA . LYS B 1 246 ? 66.822 49.333 37.065 1.00 15.32 ? 246 LYS B CA 1 +ATOM 3728 C C . LYS B 1 246 ? 67.758 49.373 38.267 1.00 15.64 ? 246 LYS B C 1 +ATOM 3729 O O . LYS B 1 246 ? 68.375 50.400 38.545 1.00 15.71 ? 246 LYS B O 1 +ATOM 3730 C CB . LYS B 1 246 ? 65.373 49.511 37.529 1.00 15.92 ? 246 LYS B CB 1 +ATOM 3731 C CG . LYS B 1 246 ? 65.118 50.836 38.240 1.00 16.62 ? 246 LYS B CG 1 +ATOM 3732 C CD . LYS B 1 246 ? 63.642 51.046 38.530 1.00 17.48 ? 246 LYS B CD 1 +ATOM 3733 C CE . LYS B 1 246 ? 63.085 49.956 39.430 1.00 18.01 ? 246 LYS B CE 1 +ATOM 3734 N NZ . LYS B 1 246 ? 61.637 50.157 39.715 1.00 18.70 ? 246 LYS B NZ 1 +ATOM 3735 N N . ALA B 1 247 ? 67.866 48.252 38.975 1.00 15.93 ? 247 ALA B N 1 +ATOM 3736 C CA . ALA B 1 247 ? 68.734 48.170 40.145 1.00 16.40 ? 247 ALA B CA 1 +ATOM 3737 C C . ALA B 1 247 ? 70.192 48.370 39.738 1.00 16.80 ? 247 ALA B C 1 +ATOM 3738 O O . ALA B 1 247 ? 71.029 48.747 40.557 1.00 16.88 ? 247 ALA B O 1 +ATOM 3739 C CB . ALA B 1 247 ? 68.560 46.816 40.834 1.00 16.31 ? 247 ALA B CB 1 +ATOM 3740 N N . LEU B 1 248 ? 70.483 48.121 38.464 1.00 17.28 ? 248 LEU B N 1 +ATOM 3741 C CA . LEU B 1 248 ? 71.834 48.264 37.931 1.00 17.84 ? 248 LEU B CA 1 +ATOM 3742 C C . LEU B 1 248 ? 72.035 49.607 37.233 1.00 18.29 ? 248 LEU B C 1 +ATOM 3743 O O . LEU B 1 248 ? 73.097 49.867 36.663 1.00 18.59 ? 248 LEU B O 1 +ATOM 3744 C CB . LEU B 1 248 ? 72.137 47.119 36.958 1.00 17.67 ? 248 LEU B CB 1 +ATOM 3745 C CG . LEU B 1 248 ? 72.381 45.732 37.563 1.00 17.77 ? 248 LEU B CG 1 +ATOM 3746 C CD1 . LEU B 1 248 ? 71.366 45.439 38.645 1.00 17.97 ? 248 LEU B CD1 1 +ATOM 3747 C CD2 . LEU B 1 248 ? 72.319 44.684 36.466 1.00 17.61 ? 248 LEU B CD2 1 +ATOM 3748 N N . GLY B 1 249 ? 71.008 50.450 37.271 1.00 18.82 ? 249 GLY B N 1 +ATOM 3749 C CA . GLY B 1 249 ? 71.101 51.762 36.656 1.00 19.46 ? 249 GLY B CA 1 +ATOM 3750 C C . GLY B 1 249 ? 70.862 51.800 35.159 1.00 19.88 ? 249 GLY B C 1 +ATOM 3751 O O . GLY B 1 249 ? 71.446 52.628 34.456 1.00 20.09 ? 249 GLY B O 1 +ATOM 3752 N N . HIS B 1 250 ? 70.002 50.913 34.669 1.00 20.26 ? 250 HIS B N 1 +ATOM 3753 C CA . HIS B 1 250 ? 69.685 50.857 33.245 1.00 20.55 ? 250 HIS B CA 1 +ATOM 3754 C C . HIS B 1 250 ? 68.180 50.857 33.008 1.00 20.75 ? 250 HIS B C 1 +ATOM 3755 O O . HIS B 1 250 ? 67.426 50.623 33.976 1.00 20.88 ? 250 HIS B O 1 +ATOM 3756 C CB . HIS B 1 250 ? 70.293 49.601 32.620 1.00 20.69 ? 250 HIS B CB 1 +ATOM 3757 C CG . HIS B 1 250 ? 71.777 49.669 32.442 1.00 20.76 ? 250 HIS B CG 1 +ATOM 3758 N ND1 . HIS B 1 250 ? 72.373 50.396 31.433 1.00 20.92 ? 250 HIS B ND1 1 +ATOM 3759 C CD2 . HIS B 1 250 ? 72.786 49.099 33.141 1.00 20.86 ? 250 HIS B CD2 1 +ATOM 3760 C CE1 . HIS B 1 250 ? 73.684 50.268 31.517 1.00 20.91 ? 250 HIS B CE1 1 +ATOM 3761 N NE2 . HIS B 1 250 ? 73.961 49.486 32.545 1.00 21.04 ? 250 HIS B NE2 1 +ATOM 3762 O OXT . HIS B 1 250 ? 67.773 51.074 31.846 1.00 21.14 ? 250 HIS B OXT 1 +HETATM 3763 O O . HOH C 2 . ? 50.776 25.390 16.913 1.00 3.19 ? 401 HOH A O 1 +HETATM 3764 O O . HOH C 2 . ? 60.207 30.154 6.348 1.00 5.38 ? 402 HOH A O 1 +HETATM 3765 O O . HOH C 2 . ? 44.833 33.359 -1.695 1.00 5.95 ? 407 HOH A O 1 +HETATM 3766 O O . HOH C 2 . ? 43.572 25.328 15.367 1.00 6.26 ? 409 HOH A O 1 +HETATM 3767 O O . HOH C 2 . ? 53.645 28.023 10.661 1.00 6.73 ? 410 HOH A O 1 +HETATM 3768 O O . HOH C 2 . ? 49.926 34.719 3.095 1.00 6.12 ? 415 HOH A O 1 +HETATM 3769 O O . HOH C 2 . ? 53.837 15.912 -7.172 1.00 6.60 ? 419 HOH A O 1 +HETATM 3770 O O . HOH C 2 . ? 52.280 26.044 12.092 1.00 8.39 ? 420 HOH A O 1 +HETATM 3771 O O . HOH C 2 . ? 53.211 30.153 11.695 1.00 4.93 ? 421 HOH A O 1 +HETATM 3772 O O . HOH C 2 . ? 48.380 11.063 -13.427 1.00 7.84 ? 422 HOH A O 1 +HETATM 3773 O O . HOH C 2 . ? 65.222 38.891 -8.785 1.00 7.25 ? 424 HOH A O 1 +HETATM 3774 O O . HOH C 2 . ? 60.173 32.111 8.415 1.00 8.81 ? 426 HOH A O 1 +HETATM 3775 O O . HOH C 2 . ? 58.637 33.961 -0.018 1.00 6.47 ? 427 HOH A O 1 +HETATM 3776 O O . HOH C 2 . ? 43.633 10.560 1.655 1.00 11.86 ? 429 HOH A O 1 +HETATM 3777 O O . HOH C 2 . ? 42.351 33.330 -5.918 1.00 9.54 ? 430 HOH A O 1 +HETATM 3778 O O . HOH C 2 . ? 52.039 12.655 -4.940 1.00 8.10 ? 431 HOH A O 1 +HETATM 3779 O O . HOH C 2 . ? 41.968 10.282 13.643 1.00 8.65 ? 434 HOH A O 1 +HETATM 3780 O O . HOH C 2 . ? 59.428 14.622 13.134 1.00 9.56 ? 435 HOH A O 1 +HETATM 3781 O O . HOH C 2 . ? 41.728 23.858 5.464 1.00 8.45 ? 439 HOH A O 1 +HETATM 3782 O O . HOH C 2 . ? 57.599 39.723 -3.871 1.00 9.04 ? 440 HOH A O 1 +HETATM 3783 O O . HOH C 2 . ? 54.608 13.531 -5.749 1.00 10.46 ? 443 HOH A O 1 +HETATM 3784 O O . HOH C 2 . ? 35.629 14.556 -10.080 1.00 10.58 ? 444 HOH A O 1 +HETATM 3785 O O . HOH C 2 . ? 53.144 13.933 -9.082 1.00 13.65 ? 448 HOH A O 1 +HETATM 3786 O O . HOH C 2 . ? 48.493 15.696 -19.641 1.00 9.69 ? 449 HOH A O 1 +HETATM 3787 O O . HOH C 2 . ? 63.975 17.062 4.219 1.00 9.77 ? 450 HOH A O 1 +HETATM 3788 O O . HOH C 2 . ? 52.703 12.128 11.958 1.00 7.55 ? 451 HOH A O 1 +HETATM 3789 O O . HOH C 2 . ? 28.724 10.559 11.330 1.00 10.75 ? 452 HOH A O 1 +HETATM 3790 O O . HOH C 2 . ? 52.879 21.664 22.234 1.00 9.28 ? 453 HOH A O 1 +HETATM 3791 O O . HOH C 2 . ? 65.400 22.669 9.848 1.00 11.13 ? 455 HOH A O 1 +HETATM 3792 O O . HOH C 2 . ? 32.743 12.742 -1.213 1.00 10.89 ? 459 HOH A O 1 +HETATM 3793 O O . HOH C 2 . ? 61.192 15.112 -1.498 1.00 13.02 ? 461 HOH A O 1 +HETATM 3794 O O . HOH C 2 . ? 51.033 11.301 -11.744 1.00 12.25 ? 462 HOH A O 1 +HETATM 3795 O O . HOH C 2 . ? 41.639 9.359 16.350 1.00 9.20 ? 463 HOH A O 1 +HETATM 3796 O O . HOH C 2 . ? 54.050 12.627 1.281 1.00 8.99 ? 466 HOH A O 1 +HETATM 3797 O O . HOH C 2 . ? 66.680 29.830 10.038 1.00 12.27 ? 467 HOH A O 1 +HETATM 3798 O O . HOH C 2 . ? 26.500 12.588 -2.849 1.00 11.15 ? 472 HOH A O 1 +HETATM 3799 O O . HOH C 2 . ? 55.475 34.516 0.507 1.00 6.38 ? 474 HOH A O 1 +HETATM 3800 O O . HOH C 2 . ? 48.612 10.669 16.353 1.00 12.49 ? 479 HOH A O 1 +HETATM 3801 O O . HOH C 2 . ? 48.322 10.609 5.655 1.00 13.93 ? 480 HOH A O 1 +HETATM 3802 O O . HOH C 2 . ? 66.759 27.547 -2.549 1.00 13.73 ? 481 HOH A O 1 +HETATM 3803 O O . HOH C 2 . ? 48.973 12.708 18.127 1.00 14.28 ? 482 HOH A O 1 +HETATM 3804 O O . HOH C 2 . ? 26.981 21.450 -2.754 1.00 10.87 ? 484 HOH A O 1 +HETATM 3805 O O . HOH C 2 . ? 22.220 25.702 2.147 1.00 17.93 ? 486 HOH A O 1 +HETATM 3806 O O . HOH C 2 . ? 36.755 28.331 3.058 1.00 10.42 ? 487 HOH A O 1 +HETATM 3807 O O . HOH C 2 . ? 58.237 13.249 -4.058 1.00 12.22 ? 488 HOH A O 1 +HETATM 3808 O O . HOH C 2 . ? 26.342 8.998 4.106 1.00 12.67 ? 489 HOH A O 1 +HETATM 3809 O O . HOH C 2 . ? 46.285 11.604 21.504 1.00 11.30 ? 493 HOH A O 1 +HETATM 3810 O O . HOH C 2 . ? 33.675 27.981 5.141 1.00 12.92 ? 494 HOH A O 1 +HETATM 3811 O O . HOH C 2 . ? 36.663 10.476 7.228 1.00 16.34 ? 495 HOH A O 1 +HETATM 3812 O O . HOH C 2 . ? 52.801 10.633 -1.821 1.00 12.30 ? 497 HOH A O 1 +HETATM 3813 O O . HOH C 2 . ? 59.471 30.271 -5.017 1.00 14.10 ? 500 HOH A O 1 +HETATM 3814 O O . HOH C 2 . ? 47.275 26.718 22.809 1.00 17.09 ? 501 HOH A O 1 +HETATM 3815 O O . HOH C 2 . ? 53.589 30.219 -16.046 1.00 12.53 ? 502 HOH A O 1 +HETATM 3816 O O . HOH C 2 . ? 60.033 15.439 -3.948 1.00 11.03 ? 503 HOH A O 1 +HETATM 3817 O O . HOH C 2 . ? 49.046 29.420 15.871 1.00 12.13 ? 507 HOH A O 1 +HETATM 3818 O O . HOH C 2 . ? 55.721 30.393 11.556 1.00 12.87 ? 509 HOH A O 1 +HETATM 3819 O O . HOH C 2 . ? 36.366 9.717 -0.989 1.00 14.45 ? 510 HOH A O 1 +HETATM 3820 O O . HOH C 2 . ? 50.565 9.437 -2.681 1.00 14.78 ? 511 HOH A O 1 +HETATM 3821 O O . HOH C 2 . ? 65.021 30.925 -9.686 1.00 15.62 ? 512 HOH A O 1 +HETATM 3822 O O . HOH C 2 . ? 40.531 9.507 -8.069 1.00 12.66 ? 515 HOH A O 1 +HETATM 3823 O O . HOH C 2 . ? 58.850 30.023 13.209 1.00 13.55 ? 517 HOH A O 1 +HETATM 3824 O O . HOH C 2 . ? 30.835 19.395 -14.557 1.00 16.12 ? 520 HOH A O 1 +HETATM 3825 O O . HOH C 2 . ? 31.744 25.313 -12.101 1.00 16.07 ? 523 HOH A O 1 +HETATM 3826 O O . HOH C 2 . ? 44.459 38.378 -1.491 1.00 18.54 ? 525 HOH A O 1 +HETATM 3827 O O . HOH C 2 . ? 45.183 32.555 13.383 1.00 17.06 ? 526 HOH A O 1 +HETATM 3828 O O . HOH C 2 . ? 44.329 14.053 28.648 1.00 14.60 ? 530 HOH A O 1 +HETATM 3829 O O . HOH C 2 . ? 35.818 26.684 12.600 1.00 14.24 ? 531 HOH A O 1 +HETATM 3830 O O . HOH C 2 . ? 35.087 25.087 17.274 1.00 17.80 ? 533 HOH A O 1 +HETATM 3831 O O . HOH C 2 . ? 61.522 10.615 2.266 1.00 10.53 ? 535 HOH A O 1 +HETATM 3832 O O . HOH C 2 . ? 40.373 34.848 -9.576 1.00 16.35 ? 536 HOH A O 1 +HETATM 3833 O O . HOH C 2 . ? 36.310 33.371 -10.355 1.00 12.28 ? 537 HOH A O 1 +HETATM 3834 O O . HOH C 2 . ? 34.577 11.579 4.660 1.00 11.98 ? 538 HOH A O 1 +HETATM 3835 O O . HOH C 2 . ? 28.868 19.603 -8.558 1.00 13.62 ? 539 HOH A O 1 +HETATM 3836 O O . HOH C 2 . ? 46.267 30.366 17.374 1.00 15.42 ? 540 HOH A O 1 +HETATM 3837 O O . HOH C 2 . ? 62.779 14.640 8.605 1.00 13.37 ? 542 HOH A O 1 +HETATM 3838 O O . HOH C 2 . ? 64.387 34.806 -2.612 1.00 14.34 ? 544 HOH A O 1 +HETATM 3839 O O . HOH C 2 . ? 48.630 24.666 -17.515 1.00 17.01 ? 545 HOH A O 1 +HETATM 3840 O O . HOH C 2 . ? 51.273 39.559 -9.189 1.00 20.02 ? 546 HOH A O 1 +HETATM 3841 O O . HOH C 2 . ? 49.315 36.031 -16.455 1.00 18.20 ? 548 HOH A O 1 +HETATM 3842 O O . HOH C 2 . ? 39.306 24.702 -18.228 1.00 18.39 ? 549 HOH A O 1 +HETATM 3843 O O . HOH C 2 . ? 68.848 27.923 9.894 1.00 15.23 ? 552 HOH A O 1 +HETATM 3844 O O . HOH C 2 . ? 18.935 12.322 5.845 1.00 18.22 ? 553 HOH A O 1 +HETATM 3845 O O . HOH C 2 . ? 37.913 35.183 0.820 1.00 21.56 ? 554 HOH A O 1 +HETATM 3846 O O . HOH C 2 . ? 45.693 14.730 -17.599 1.00 17.87 ? 555 HOH A O 1 +HETATM 3847 O O . HOH C 2 . ? 45.762 11.190 4.835 1.00 16.65 ? 556 HOH A O 1 +HETATM 3848 O O . HOH C 2 . ? 34.213 21.589 23.527 1.00 18.16 ? 557 HOH A O 1 +HETATM 3849 O O . HOH C 2 . ? 53.735 9.819 10.979 1.00 15.24 ? 559 HOH A O 1 +HETATM 3850 O O . HOH C 2 . ? 26.169 26.194 -7.776 1.00 17.85 ? 560 HOH A O 1 +HETATM 3851 O O . HOH C 2 . ? 42.320 30.241 7.477 1.00 15.41 ? 563 HOH A O 1 +HETATM 3852 O O . HOH C 2 . ? 56.237 12.064 18.385 1.00 18.46 ? 564 HOH A O 1 +HETATM 3853 O O . HOH C 2 . ? 35.974 28.361 -13.376 1.00 19.91 ? 565 HOH A O 1 +HETATM 3854 O O . HOH C 2 . ? 58.155 5.701 8.327 1.00 18.70 ? 566 HOH A O 1 +HETATM 3855 O O . HOH C 2 . ? 61.933 25.639 -9.759 1.00 15.57 ? 567 HOH A O 1 +HETATM 3856 O O . HOH C 2 . ? 55.058 10.622 -3.580 1.00 18.23 ? 568 HOH A O 1 +HETATM 3857 O O . HOH C 2 . ? 64.271 10.841 1.606 1.00 18.12 ? 569 HOH A O 1 +HETATM 3858 O O . HOH C 2 . ? 35.352 12.459 22.119 1.00 15.50 ? 574 HOH A O 1 +HETATM 3859 O O . HOH C 2 . ? 33.716 12.248 -3.779 1.00 18.68 ? 576 HOH A O 1 +HETATM 3860 O O . HOH C 2 . ? 44.604 34.673 -12.205 1.00 15.28 ? 578 HOH A O 1 +HETATM 3861 O O . HOH C 2 . ? 30.962 9.476 6.095 1.00 14.60 ? 582 HOH A O 1 +HETATM 3862 O O . HOH C 2 . ? 60.348 35.938 0.581 1.00 18.35 ? 584 HOH A O 1 +HETATM 3863 O O . HOH C 2 . ? 29.833 10.811 19.738 1.00 21.54 ? 585 HOH A O 1 +HETATM 3864 O O . HOH C 2 . ? 46.863 18.876 21.721 1.00 15.88 ? 586 HOH A O 1 +HETATM 3865 O O . HOH C 2 . ? 67.088 30.090 -3.994 1.00 16.64 ? 587 HOH A O 1 +HETATM 3866 O O . HOH C 2 . ? 46.050 37.001 -15.147 1.00 16.43 ? 588 HOH A O 1 +HETATM 3867 O O . HOH C 2 . ? 38.090 34.647 -2.538 1.00 13.44 ? 590 HOH A O 1 +HETATM 3868 O O . HOH C 2 . ? 42.917 33.937 -10.277 1.00 18.36 ? 593 HOH A O 1 +HETATM 3869 O O . HOH C 2 . ? 65.350 20.770 -0.779 1.00 15.21 ? 594 HOH A O 1 +HETATM 3870 O O . HOH C 2 . ? 34.028 8.025 24.674 1.00 17.82 ? 596 HOH A O 1 +HETATM 3871 O O . HOH C 2 . ? 38.548 15.065 24.352 1.00 17.95 ? 598 HOH A O 1 +HETATM 3872 O O . HOH C 2 . ? 40.661 7.767 6.672 1.00 18.48 ? 599 HOH A O 1 +HETATM 3873 O O . HOH C 2 . ? 27.724 22.148 11.326 1.00 23.24 ? 600 HOH A O 1 +HETATM 3874 O O . HOH C 2 . ? 34.830 35.827 0.029 1.00 20.66 ? 603 HOH A O 1 +HETATM 3875 O O . HOH C 2 . ? 43.816 25.477 25.104 1.00 22.33 ? 606 HOH A O 1 +HETATM 3876 O O . HOH C 2 . ? 50.773 29.608 12.188 1.00 17.89 ? 609 HOH A O 1 +HETATM 3877 O O . HOH C 2 . ? 54.349 16.308 -15.563 1.00 15.50 ? 610 HOH A O 1 +HETATM 3878 O O . HOH C 2 . ? 43.244 26.079 5.585 1.00 23.98 ? 612 HOH A O 1 +HETATM 3879 O O . HOH C 2 . ? 41.362 7.937 25.163 1.00 19.88 ? 614 HOH A O 1 +HETATM 3880 O O . HOH C 2 . ? 50.884 23.378 -16.764 1.00 17.40 ? 621 HOH A O 1 +HETATM 3881 O O . HOH C 2 . ? 37.756 4.693 18.304 1.00 21.86 ? 622 HOH A O 1 +HETATM 3882 O O . HOH C 2 . ? 37.115 21.501 -20.043 1.00 20.22 ? 623 HOH A O 1 +HETATM 3883 O O . HOH C 2 . ? 36.099 26.849 15.440 1.00 18.24 ? 626 HOH A O 1 +HETATM 3884 O O . HOH C 2 . ? 30.485 7.348 2.141 1.00 24.04 ? 631 HOH A O 1 +HETATM 3885 O O . HOH C 2 . ? 34.190 31.184 -4.373 1.00 17.55 ? 636 HOH A O 1 +HETATM 3886 O O . HOH C 2 . ? 59.874 40.399 -10.109 1.00 21.06 ? 638 HOH A O 1 +HETATM 3887 O O . HOH C 2 . ? 49.196 31.694 12.210 1.00 19.52 ? 639 HOH A O 1 +HETATM 3888 O O . HOH C 2 . ? 43.428 22.036 28.153 1.00 25.15 ? 644 HOH A O 1 +HETATM 3889 O O . HOH C 2 . ? 28.050 19.172 12.407 1.00 22.17 ? 646 HOH A O 1 +HETATM 3890 O O . HOH C 2 . ? 37.447 22.924 -8.181 1.00 17.00 ? 650 HOH A O 1 +HETATM 3891 O O . HOH C 2 . ? 49.855 40.832 -5.069 1.00 23.70 ? 651 HOH A O 1 +HETATM 3892 O O . HOH C 2 . ? 37.592 28.167 24.650 1.00 21.66 ? 653 HOH A O 1 +HETATM 3893 O O . HOH C 2 . ? 66.518 21.896 -8.857 1.00 23.49 ? 654 HOH A O 1 +HETATM 3894 O O . HOH C 2 . ? 44.944 40.835 2.805 1.00 19.41 ? 655 HOH A O 1 +HETATM 3895 O O . HOH C 2 . ? 40.026 17.749 -19.294 1.00 21.90 ? 657 HOH A O 1 +HETATM 3896 O O . HOH C 2 . ? 31.092 7.339 12.216 1.00 20.67 ? 658 HOH A O 1 +HETATM 3897 O O . HOH C 2 . ? 35.421 5.677 23.222 1.00 20.80 ? 662 HOH A O 1 +HETATM 3898 O O . HOH C 2 . ? 67.533 22.151 8.223 1.00 19.38 ? 663 HOH A O 1 +HETATM 3899 O O . HOH C 2 . ? 39.527 29.422 11.026 1.00 18.14 ? 664 HOH A O 1 +HETATM 3900 O O . HOH C 2 . ? 36.317 31.984 -1.481 1.00 16.71 ? 666 HOH A O 1 +HETATM 3901 O O . HOH C 2 . ? 56.683 37.742 6.670 1.00 20.65 ? 668 HOH A O 1 +HETATM 3902 O O . HOH C 2 . ? 58.741 35.149 -11.243 1.00 20.28 ? 670 HOH A O 1 +HETATM 3903 O O . HOH C 2 . ? 19.663 13.885 -4.355 1.00 19.88 ? 671 HOH A O 1 +HETATM 3904 O O . HOH C 2 . ? 36.740 30.635 -14.529 1.00 26.09 ? 672 HOH A O 1 +HETATM 3905 O O . HOH C 2 . ? 39.590 22.789 -20.045 1.00 25.83 ? 673 HOH A O 1 +HETATM 3906 O O . HOH C 2 . ? 29.081 14.371 16.964 1.00 23.72 ? 674 HOH A O 1 +HETATM 3907 O O . HOH C 2 . ? 46.458 8.330 11.454 1.00 24.76 ? 676 HOH A O 1 +HETATM 3908 O O . HOH C 2 . ? 57.000 3.618 6.398 1.00 19.17 ? 678 HOH A O 1 +HETATM 3909 O O . HOH C 2 . ? 60.799 35.451 3.670 1.00 17.62 ? 682 HOH A O 1 +HETATM 3910 O O . HOH C 2 . ? 58.299 32.748 -12.573 1.00 23.86 ? 685 HOH A O 1 +HETATM 3911 O O . HOH C 2 . ? 39.175 9.912 28.572 1.00 26.21 ? 689 HOH A O 1 +HETATM 3912 O O . HOH C 2 . ? 30.866 13.454 19.323 1.00 19.45 ? 692 HOH A O 1 +HETATM 3913 O O . HOH C 2 . ? 42.343 7.416 -4.985 1.00 20.82 ? 696 HOH A O 1 +HETATM 3914 O O . HOH C 2 . ? 37.893 6.657 -5.625 1.00 21.30 ? 698 HOH A O 1 +HETATM 3915 O O . HOH C 2 . ? 26.098 19.412 -9.270 1.00 21.97 ? 702 HOH A O 1 +HETATM 3916 O O . HOH C 2 . ? 37.421 31.217 5.150 1.00 20.81 ? 703 HOH A O 1 +HETATM 3917 O O . HOH C 2 . ? 25.169 16.747 -7.992 1.00 25.36 ? 705 HOH A O 1 +HETATM 3918 O O . HOH C 2 . ? 44.987 27.989 23.561 1.00 22.64 ? 706 HOH A O 1 +HETATM 3919 O O . HOH C 2 . ? 56.220 38.902 -10.426 1.00 19.45 ? 708 HOH A O 1 +HETATM 3920 O O . HOH C 2 . ? 56.951 36.455 9.101 1.00 16.09 ? 709 HOH A O 1 +HETATM 3921 O O . HOH C 2 . ? 35.024 27.650 23.570 1.00 30.23 ? 712 HOH A O 1 +HETATM 3922 O O . HOH C 2 . ? 64.498 20.282 10.644 1.00 18.06 ? 713 HOH A O 1 +HETATM 3923 O O . HOH C 2 . ? 38.355 37.984 2.736 1.00 19.21 ? 718 HOH A O 1 +HETATM 3924 O O . HOH C 2 . ? 46.811 21.146 23.223 1.00 21.03 ? 719 HOH A O 1 +HETATM 3925 O O . HOH C 2 . ? 29.338 18.310 -11.009 1.00 19.28 ? 721 HOH A O 1 +HETATM 3926 O O . HOH C 2 . ? 30.425 20.972 18.171 1.00 20.60 ? 722 HOH A O 1 +HETATM 3927 O O . HOH C 2 . ? 47.870 7.998 -3.578 1.00 26.61 ? 724 HOH A O 1 +HETATM 3928 O O . HOH C 2 . ? 51.093 27.355 14.682 1.00 1.50 ? 725 HOH A O 1 +HETATM 3929 O O . HOH C 2 . ? 37.655 28.491 6.366 1.00 11.75 ? 727 HOH A O 1 +HETATM 3930 O O . HOH C 2 . ? 53.356 29.134 14.053 1.00 12.74 ? 728 HOH A O 1 +HETATM 3931 O O . HOH C 2 . ? 49.238 11.657 21.105 1.00 14.83 ? 734 HOH A O 1 +HETATM 3932 O O . HOH C 2 . ? 27.515 6.924 5.589 1.00 16.27 ? 736 HOH A O 1 +HETATM 3933 O O . HOH C 2 . ? 34.261 38.358 0.977 1.00 12.77 ? 738 HOH A O 1 +HETATM 3934 O O . HOH C 2 . ? 53.851 9.996 0.651 1.00 16.80 ? 741 HOH A O 1 +HETATM 3935 O O . HOH C 2 . ? 44.540 9.241 20.731 1.00 16.32 ? 742 HOH A O 1 +HETATM 3936 O O . HOH C 2 . ? 55.391 14.457 -13.962 1.00 18.49 ? 744 HOH A O 1 +HETATM 3937 O O . HOH C 2 . ? 43.285 7.253 16.620 1.00 16.62 ? 746 HOH A O 1 +HETATM 3938 O O . HOH C 2 . ? 60.363 23.565 -10.926 1.00 14.37 ? 747 HOH A O 1 +HETATM 3939 O O . HOH C 2 . ? 34.560 35.488 -9.496 1.00 14.48 ? 748 HOH A O 1 +HETATM 3940 O O . HOH C 2 . ? 49.923 36.854 4.830 1.00 19.45 ? 750 HOH A O 1 +HETATM 3941 O O . HOH C 2 . ? 29.460 7.594 7.477 1.00 17.29 ? 751 HOH A O 1 +HETATM 3942 O O . HOH C 2 . ? 53.190 10.115 -5.704 1.00 18.03 ? 754 HOH A O 1 +HETATM 3943 O O . HOH C 2 . ? 42.981 9.332 -9.726 1.00 17.72 ? 755 HOH A O 1 +HETATM 3944 O O . HOH C 2 . ? 59.273 24.757 -13.202 1.00 20.32 ? 760 HOH A O 1 +HETATM 3945 O O . HOH C 2 . ? 58.267 41.107 -6.138 1.00 19.62 ? 762 HOH A O 1 +HETATM 3946 O O . HOH C 2 . ? 59.081 36.721 10.829 1.00 23.16 ? 767 HOH A O 1 +HETATM 3947 O O . HOH C 2 . ? 58.432 11.703 16.623 1.00 19.58 ? 768 HOH A O 1 +HETATM 3948 O O . HOH C 2 . ? 66.168 18.829 4.011 1.00 20.06 ? 769 HOH A O 1 +HETATM 3949 O O . HOH C 2 . ? 30.800 10.917 -1.779 1.00 17.64 ? 771 HOH A O 1 +HETATM 3950 O O . HOH C 2 . ? 64.400 15.504 6.467 1.00 21.40 ? 773 HOH A O 1 +HETATM 3951 O O . HOH C 2 . ? 34.612 11.217 0.523 1.00 20.31 ? 774 HOH A O 1 +HETATM 3952 O O . HOH C 2 . ? 40.359 24.734 26.334 1.00 21.91 ? 776 HOH A O 1 +HETATM 3953 O O . HOH C 2 . ? 55.520 32.090 -16.457 1.00 21.25 ? 781 HOH A O 1 +HETATM 3954 O O . HOH C 2 . ? 60.261 14.418 10.440 1.00 19.85 ? 782 HOH A O 1 +HETATM 3955 O O . HOH C 2 . ? 47.711 8.343 18.042 1.00 21.05 ? 783 HOH A O 1 +HETATM 3956 O O . HOH C 2 . ? 36.787 10.058 4.187 1.00 24.42 ? 784 HOH A O 1 +HETATM 3957 O O . HOH C 2 . ? 58.401 12.215 14.006 1.00 22.91 ? 788 HOH A O 1 +HETATM 3958 O O . HOH C 2 . ? 41.230 28.908 -17.419 1.00 25.14 ? 791 HOH A O 1 +HETATM 3959 O O . HOH C 2 . ? 66.102 20.566 -3.556 1.00 24.89 ? 792 HOH A O 1 +HETATM 3960 O O . HOH C 2 . ? 51.703 30.520 -18.250 1.00 23.94 ? 793 HOH A O 1 +HETATM 3961 O O . HOH C 2 . ? 33.607 26.338 19.296 1.00 23.38 ? 797 HOH A O 1 +HETATM 3962 O O . HOH C 2 . ? 65.551 17.932 -0.032 1.00 25.03 ? 798 HOH A O 1 +HETATM 3963 O O . HOH C 2 . ? 38.433 26.561 -19.953 1.00 23.97 ? 801 HOH A O 1 +HETATM 3964 O O . HOH C 2 . ? 61.269 36.448 9.227 1.00 19.99 ? 803 HOH A O 1 +HETATM 3965 O O . HOH C 2 . ? 27.431 15.376 -7.235 1.00 23.17 ? 804 HOH A O 1 +HETATM 3966 O O . HOH C 2 . ? 33.071 23.673 16.015 1.00 20.31 ? 810 HOH A O 1 +HETATM 3967 O O . HOH C 2 . ? 33.981 25.778 21.926 1.00 22.26 ? 811 HOH A O 1 +HETATM 3968 O O . HOH C 2 . ? 57.048 12.595 -6.554 1.00 23.65 ? 812 HOH A O 1 +HETATM 3969 O O . HOH C 2 . ? 46.824 23.625 26.175 1.00 25.02 ? 813 HOH A O 1 +HETATM 3970 O O . HOH C 2 . ? 36.739 29.349 12.248 1.00 22.60 ? 817 HOH A O 1 +HETATM 3971 O O . HOH C 2 . ? 46.577 29.988 22.008 1.00 24.17 ? 818 HOH A O 1 +HETATM 3972 O O . HOH C 2 . ? 54.210 39.891 -8.857 1.00 19.93 ? 819 HOH A O 1 +HETATM 3973 O O . HOH C 2 . ? 59.032 11.602 -1.727 1.00 24.94 ? 820 HOH A O 1 +HETATM 3974 O O . HOH C 2 . ? 62.637 34.277 5.387 1.00 22.50 ? 821 HOH A O 1 +HETATM 3975 O O . HOH C 2 . ? 40.078 3.389 17.769 1.00 25.94 ? 822 HOH A O 1 +HETATM 3976 O O . HOH C 2 . ? 43.553 38.093 -10.575 1.00 23.75 ? 826 HOH A O 1 +HETATM 3977 O O . HOH C 2 . ? 56.702 6.949 1.983 1.00 25.31 ? 827 HOH A O 1 +HETATM 3978 O O . HOH C 2 . ? 49.385 9.076 3.501 1.00 23.59 ? 830 HOH A O 1 +HETATM 3979 O O . HOH C 2 . ? 30.540 23.626 17.145 1.00 27.56 ? 831 HOH A O 1 +HETATM 3980 O O . HOH C 2 . ? 33.273 25.534 12.243 1.00 23.00 ? 832 HOH A O 1 +HETATM 3981 O O . HOH C 2 . ? 55.239 41.064 -3.415 1.00 24.19 ? 833 HOH A O 1 +HETATM 3982 O O . HOH C 2 . ? 42.955 35.032 -14.581 1.00 23.22 ? 834 HOH A O 1 +HETATM 3983 O O . HOH C 2 . ? 60.314 28.660 -15.613 1.00 23.80 ? 835 HOH A O 1 +HETATM 3984 O O . HOH C 2 . ? 51.924 21.701 -18.725 1.00 28.92 ? 837 HOH A O 1 +HETATM 3985 O O . HOH C 2 . ? 56.557 17.541 -16.636 1.00 24.75 ? 838 HOH A O 1 +HETATM 3986 O O . HOH C 2 . ? 29.698 25.324 9.801 1.00 24.38 ? 839 HOH A O 1 +HETATM 3987 O O . HOH C 2 . ? 33.035 8.803 4.367 1.00 25.84 ? 840 HOH A O 1 +HETATM 3988 O O . HOH C 2 . ? 45.345 24.737 -19.982 1.00 27.06 ? 841 HOH A O 1 +HETATM 3989 O O . HOH C 2 . ? 46.853 23.934 23.465 1.00 24.82 ? 846 HOH A O 1 +HETATM 3990 O O . HOH C 2 . ? 39.197 7.511 -9.775 1.00 23.69 ? 847 HOH A O 1 +HETATM 3991 O O . HOH C 2 . ? 38.176 29.653 17.288 1.00 22.19 ? 848 HOH A O 1 +HETATM 3992 O O . HOH C 2 . ? 31.982 6.734 20.767 1.00 26.27 ? 849 HOH A O 1 +HETATM 3993 O O . HOH C 2 . ? 18.693 21.973 -0.885 1.00 24.78 ? 850 HOH A O 1 +HETATM 3994 O O . HOH C 2 . ? 27.848 17.261 15.322 1.00 23.10 ? 851 HOH A O 1 +HETATM 3995 O O . HOH C 2 . ? 50.862 41.599 -7.450 1.00 25.06 ? 852 HOH A O 1 +HETATM 3996 O O . HOH C 2 . ? 30.506 11.816 -8.825 1.00 24.83 ? 854 HOH A O 1 +HETATM 3997 O O . HOH C 2 . ? 25.835 30.995 -2.625 1.00 26.08 ? 858 HOH A O 1 +HETATM 3998 O O . HOH C 2 . ? 28.572 8.699 13.329 1.00 26.86 ? 859 HOH A O 1 +HETATM 3999 O O . HOH C 2 . ? 67.997 25.976 11.648 1.00 23.86 ? 860 HOH A O 1 +HETATM 4000 O O . HOH C 2 . ? 45.303 37.685 8.400 1.00 24.48 ? 863 HOH A O 1 +HETATM 4001 O O . HOH C 2 . ? 27.520 11.977 -5.284 1.00 27.78 ? 864 HOH A O 1 +HETATM 4002 O O . HOH C 2 . ? 66.331 28.886 3.049 1.00 22.16 ? 866 HOH A O 1 +HETATM 4003 O O . HOH C 2 . ? 48.631 34.067 -18.873 1.00 26.19 ? 867 HOH A O 1 +HETATM 4004 O O . HOH C 2 . ? 45.122 9.514 6.951 1.00 29.12 ? 868 HOH A O 1 +HETATM 4005 O O . HOH C 2 . ? 65.646 36.660 -10.497 1.00 25.07 ? 869 HOH A O 1 +HETATM 4006 O O . HOH C 2 . ? 64.022 14.404 -1.851 1.00 24.20 ? 870 HOH A O 1 +HETATM 4007 O O . HOH C 2 . ? 69.299 24.678 -4.957 1.00 27.37 ? 873 HOH A O 1 +HETATM 4008 O O . HOH C 2 . ? 46.750 11.435 -17.201 1.00 29.70 ? 877 HOH A O 1 +HETATM 4009 O O . HOH C 2 . ? 43.641 35.038 -7.648 1.00 27.65 ? 879 HOH A O 1 +HETATM 4010 O O . HOH C 2 . ? 20.546 27.327 -4.648 1.00 27.97 ? 885 HOH A O 1 +HETATM 4011 O O . HOH C 2 . ? 47.538 9.322 -15.398 1.00 24.90 ? 888 HOH A O 1 +HETATM 4012 O O . HOH C 2 . ? 14.269 17.507 6.572 1.00 28.01 ? 889 HOH A O 1 +HETATM 4013 O O . HOH C 2 . ? 30.941 17.560 -16.709 1.00 22.28 ? 890 HOH A O 1 +HETATM 4014 O O . HOH C 2 . ? 49.644 26.189 -19.669 1.00 26.33 ? 891 HOH A O 1 +HETATM 4015 O O . HOH C 2 . ? 26.733 28.523 6.864 1.00 26.96 ? 892 HOH A O 1 +HETATM 4016 O O . HOH C 2 . ? 35.616 20.443 26.299 1.00 26.47 ? 894 HOH A O 1 +HETATM 4017 O O . HOH C 2 . ? 55.975 4.473 2.690 1.00 25.60 ? 896 HOH A O 1 +HETATM 4018 O O . HOH C 2 . ? 31.036 35.336 0.206 1.00 27.54 ? 898 HOH A O 1 +HETATM 4019 O O . HOH C 2 . ? 28.592 19.077 17.358 1.00 28.23 ? 904 HOH A O 1 +HETATM 4020 O O . HOH C 2 . ? 43.221 7.641 5.310 1.00 28.73 ? 907 HOH A O 1 +HETATM 4021 O O . HOH C 2 . ? 45.858 19.143 -21.694 1.00 26.47 ? 908 HOH A O 1 +HETATM 4022 O O . HOH C 2 . ? 64.266 21.916 -10.473 1.00 28.70 ? 910 HOH A O 1 +HETATM 4023 O O . HOH C 2 . ? 19.732 10.838 7.980 1.00 27.07 ? 911 HOH A O 1 +HETATM 4024 O O . HOH C 2 . ? 34.487 32.345 -12.229 1.00 30.12 ? 913 HOH A O 1 +HETATM 4025 O O . HOH C 2 . ? 23.636 27.660 0.887 1.00 30.17 ? 914 HOH A O 1 +HETATM 4026 O O . HOH C 2 . ? 37.293 10.094 -13.066 1.00 30.36 ? 915 HOH A O 1 +HETATM 4027 O O . HOH C 2 . ? 43.960 9.697 -14.406 1.00 32.00 ? 916 HOH A O 1 +HETATM 4028 O O . HOH C 2 . ? 42.123 34.905 14.493 1.00 26.72 ? 917 HOH A O 1 +HETATM 4029 O O . HOH C 2 . ? 39.606 36.305 -11.836 1.00 29.33 ? 920 HOH A O 1 +HETATM 4030 O O . HOH C 2 . ? 34.841 9.314 -14.160 1.00 28.16 ? 924 HOH A O 1 +HETATM 4031 O O . HOH C 2 . ? 37.118 18.828 -19.972 1.00 27.65 ? 926 HOH A O 1 +HETATM 4032 O O . HOH C 2 . ? 63.880 36.802 10.268 1.00 27.95 ? 927 HOH A O 1 +HETATM 4033 O O . HOH C 2 . ? 64.243 28.261 -13.325 1.00 30.10 ? 928 HOH A O 1 +HETATM 4034 O O . HOH C 2 . ? 31.956 11.844 -15.764 1.00 26.86 ? 929 HOH A O 1 +HETATM 4035 O O . HOH C 2 . ? 30.147 20.484 20.857 1.00 28.80 ? 930 HOH A O 1 +HETATM 4036 O O . HOH C 2 . ? 21.609 21.785 -8.516 1.00 28.90 ? 934 HOH A O 1 +HETATM 4037 O O . HOH C 2 . ? 41.640 8.462 0.850 1.00 25.97 ? 937 HOH A O 1 +HETATM 4038 O O . HOH C 2 . ? 61.978 11.003 -1.053 1.00 34.59 ? 941 HOH A O 1 +HETATM 4039 O O . HOH C 2 . ? 34.410 31.418 5.214 1.00 31.59 ? 942 HOH A O 1 +HETATM 4040 O O . HOH C 2 . ? 18.188 14.582 3.296 1.00 30.26 ? 946 HOH A O 1 +HETATM 4041 O O . HOH C 2 . ? 47.903 37.632 6.457 1.00 27.45 ? 947 HOH A O 1 +HETATM 4042 O O . HOH C 2 . ? 66.564 22.701 5.511 1.00 30.53 ? 950 HOH A O 1 +HETATM 4043 O O . HOH C 2 . ? 49.283 34.351 12.431 1.00 28.97 ? 954 HOH A O 1 +HETATM 4044 O O . HOH C 2 . ? 41.117 28.123 6.277 1.00 26.91 ? 955 HOH A O 1 +HETATM 4045 O O . HOH C 2 . ? 42.137 15.628 27.922 1.00 27.92 ? 956 HOH A O 1 +HETATM 4046 O O . HOH C 2 . ? 22.925 23.756 9.478 1.00 22.73 ? 957 HOH A O 1 +HETATM 4047 O O . HOH C 2 . ? 33.227 5.712 12.495 1.00 27.65 ? 958 HOH A O 1 +HETATM 4048 O O . HOH C 2 . ? 41.426 12.008 -14.860 1.00 30.21 ? 959 HOH A O 1 +HETATM 4049 O O . HOH C 2 . ? 65.355 33.004 4.496 1.00 30.28 ? 960 HOH A O 1 +HETATM 4050 O O . HOH C 2 . ? 56.595 6.644 10.967 1.00 27.07 ? 963 HOH A O 1 +HETATM 4051 O O . HOH C 2 . ? 39.089 27.271 27.167 1.00 29.82 ? 966 HOH A O 1 +HETATM 4052 O O . HOH C 2 . ? 45.953 7.703 14.053 1.00 25.66 ? 968 HOH A O 1 +HETATM 4053 O O . HOH C 2 . ? 29.406 17.256 -6.917 1.00 27.17 ? 969 HOH A O 1 +HETATM 4054 O O . HOH C 2 . ? 26.163 17.408 13.125 1.00 28.06 ? 973 HOH A O 1 +HETATM 4055 O O . HOH C 2 . ? 32.138 14.961 -16.744 1.00 30.88 ? 975 HOH A O 1 +HETATM 4056 O O . HOH C 2 . ? 39.436 15.826 26.754 1.00 31.01 ? 976 HOH A O 1 +HETATM 4057 O O . HOH C 2 . ? 40.857 33.975 12.084 1.00 24.59 ? 977 HOH A O 1 +HETATM 4058 O O . HOH C 2 . ? 27.267 30.198 4.538 1.00 26.58 ? 978 HOH A O 1 +HETATM 4059 O O . HOH C 2 . ? 68.151 19.431 8.288 1.00 29.52 ? 979 HOH A O 1 +HETATM 4060 O O . HOH C 2 . ? 51.931 34.935 11.835 1.00 27.48 ? 981 HOH A O 1 +HETATM 4061 O O . HOH C 2 . ? 51.754 39.525 -0.619 1.00 29.50 ? 982 HOH A O 1 +HETATM 4062 O O . HOH C 2 . ? 48.952 35.828 15.162 1.00 32.63 ? 984 HOH A O 1 +HETATM 4063 O O . HOH C 2 . ? 62.442 33.957 -12.987 1.00 29.46 ? 987 HOH A O 1 +HETATM 4064 O O . HOH C 2 . ? 55.773 33.000 -13.776 1.00 29.14 ? 988 HOH A O 1 +HETATM 4065 O O . HOH C 2 . ? 14.061 19.521 0.502 1.00 36.80 ? 990 HOH A O 1 +HETATM 4066 O O . HOH C 2 . ? 31.830 30.604 -5.991 1.00 25.93 ? 996 HOH A O 1 +HETATM 4067 O O . HOH C 2 . ? 66.974 22.300 1.041 1.00 29.86 ? 997 HOH A O 1 +HETATM 4068 O O . HOH C 2 . ? 32.174 19.989 22.745 1.00 28.47 ? 999 HOH A O 1 +HETATM 4069 O O . HOH C 2 . ? 37.924 8.149 2.478 1.00 29.78 ? 1003 HOH A O 1 +HETATM 4070 O O . HOH C 2 . ? 56.639 24.112 -15.315 1.00 31.18 ? 1004 HOH A O 1 +HETATM 4071 O O . HOH C 2 . ? 51.465 35.587 -4.278 1.00 41.09 ? 1005 HOH A O 1 +HETATM 4072 O O . HOH C 2 . ? 43.341 8.854 10.402 1.00 29.04 ? 1006 HOH A O 1 +HETATM 4073 O O . HOH C 2 . ? 50.054 9.954 11.401 1.00 26.69 ? 1008 HOH A O 1 +HETATM 4074 O O . HOH C 2 . ? 29.616 14.718 21.597 1.00 32.73 ? 1009 HOH A O 1 +HETATM 4075 O O . HOH C 2 . ? 47.491 8.124 6.835 1.00 28.82 ? 1012 HOH A O 1 +HETATM 4076 O O . HOH C 2 . ? 65.922 30.903 0.818 1.00 27.14 ? 1013 HOH A O 1 +HETATM 4077 O O . HOH C 2 . ? 39.782 37.442 5.163 1.00 30.08 ? 1014 HOH A O 1 +HETATM 4078 O O . HOH C 2 . ? 29.325 14.200 -10.508 1.00 28.79 ? 1019 HOH A O 1 +HETATM 4079 O O . HOH C 2 . ? 40.433 34.899 16.692 1.00 31.50 ? 1020 HOH A O 1 +HETATM 4080 O O . HOH C 2 . ? 39.124 33.335 5.695 1.00 29.69 ? 1021 HOH A O 1 +HETATM 4081 O O . HOH C 2 . ? 46.099 7.721 -5.893 1.00 30.43 ? 1025 HOH A O 1 +HETATM 4082 O O . HOH C 2 . ? 43.164 14.531 -16.892 1.00 37.45 ? 1026 HOH A O 1 +HETATM 4083 O O . HOH C 2 . ? 51.632 7.720 -5.231 1.00 26.40 ? 1027 HOH A O 1 +HETATM 4084 O O . HOH C 2 . ? 66.070 28.942 -11.321 1.00 28.48 ? 1029 HOH A O 1 +HETATM 4085 O O . HOH D 2 . ? 52.988 26.125 20.360 1.00 3.11 ? 400 HOH B O 1 +HETATM 4086 O O . HOH D 2 . ? 52.517 26.764 41.372 1.00 5.11 ? 403 HOH B O 1 +HETATM 4087 O O . HOH D 2 . ? 48.503 23.956 36.224 1.00 5.90 ? 404 HOH B O 1 +HETATM 4088 O O . HOH D 2 . ? 47.892 17.910 37.035 1.00 7.19 ? 405 HOH B O 1 +HETATM 4089 O O . HOH D 2 . ? 55.654 27.737 13.994 1.00 6.20 ? 406 HOH B O 1 +HETATM 4090 O O . HOH D 2 . ? 48.880 14.745 29.033 1.00 7.01 ? 408 HOH B O 1 +HETATM 4091 O O . HOH D 2 . ? 53.065 24.240 18.189 1.00 5.49 ? 411 HOH B O 1 +HETATM 4092 O O . HOH D 2 . ? 55.562 32.204 23.547 1.00 6.15 ? 412 HOH B O 1 +HETATM 4093 O O . HOH D 2 . ? 54.436 25.246 13.712 1.00 8.68 ? 413 HOH B O 1 +HETATM 4094 O O . HOH D 2 . ? 51.596 21.885 26.167 1.00 6.52 ? 414 HOH B O 1 +HETATM 4095 O O . HOH D 2 . ? 54.290 27.786 45.833 1.00 7.58 ? 416 HOH B O 1 +HETATM 4096 O O . HOH D 2 . ? 53.302 23.235 24.513 1.00 7.15 ? 417 HOH B O 1 +HETATM 4097 O O . HOH D 2 . ? 70.307 30.239 20.347 1.00 7.24 ? 418 HOH B O 1 +HETATM 4098 O O . HOH D 2 . ? 70.495 15.329 35.365 1.00 9.36 ? 423 HOH B O 1 +HETATM 4099 O O . HOH D 2 . ? 52.035 11.514 39.440 1.00 8.02 ? 425 HOH B O 1 +HETATM 4100 O O . HOH D 2 . ? 66.084 20.220 19.636 1.00 7.70 ? 428 HOH B O 1 +HETATM 4101 O O . HOH D 2 . ? 60.143 30.357 32.398 1.00 8.87 ? 432 HOH B O 1 +HETATM 4102 O O . HOH D 2 . ? 47.610 14.708 36.470 1.00 6.44 ? 433 HOH B O 1 +HETATM 4103 O O . HOH D 2 . ? 47.785 27.930 43.127 1.00 9.41 ? 436 HOH B O 1 +HETATM 4104 O O . HOH D 2 . ? 74.682 29.073 44.821 1.00 10.21 ? 437 HOH B O 1 +HETATM 4105 O O . HOH D 2 . ? 48.131 7.590 31.672 1.00 8.90 ? 438 HOH B O 1 +HETATM 4106 O O . HOH D 2 . ? 67.522 13.514 38.034 1.00 7.50 ? 441 HOH B O 1 +HETATM 4107 O O . HOH D 2 . ? 46.571 15.732 27.893 1.00 8.61 ? 442 HOH B O 1 +HETATM 4108 O O . HOH D 2 . ? 70.492 31.159 17.681 1.00 8.04 ? 445 HOH B O 1 +HETATM 4109 O O . HOH D 2 . ? 50.222 20.939 22.449 1.00 8.64 ? 446 HOH B O 1 +HETATM 4110 O O . HOH D 2 . ? 49.427 7.533 29.290 1.00 9.46 ? 447 HOH B O 1 +HETATM 4111 O O . HOH D 2 . ? 65.831 29.120 12.645 1.00 8.89 ? 454 HOH B O 1 +HETATM 4112 O O . HOH D 2 . ? 58.067 35.033 37.403 1.00 10.52 ? 456 HOH B O 1 +HETATM 4113 O O . HOH D 2 . ? 44.918 27.985 40.788 1.00 9.36 ? 457 HOH B O 1 +HETATM 4114 O O . HOH D 2 . ? 67.432 25.076 16.240 1.00 12.73 ? 458 HOH B O 1 +HETATM 4115 O O . HOH D 2 . ? 77.246 24.189 40.309 1.00 16.05 ? 460 HOH B O 1 +HETATM 4116 O O . HOH D 2 . ? 69.086 42.901 19.094 1.00 13.88 ? 464 HOH B O 1 +HETATM 4117 O O . HOH D 2 . ? 62.159 34.092 8.051 1.00 11.33 ? 465 HOH B O 1 +HETATM 4118 O O . HOH D 2 . ? 45.817 31.623 34.297 1.00 10.85 ? 468 HOH B O 1 +HETATM 4119 O O . HOH D 2 . ? 73.395 33.087 27.495 1.00 10.52 ? 469 HOH B O 1 +HETATM 4120 O O . HOH D 2 . ? 58.770 38.548 36.155 1.00 11.32 ? 470 HOH B O 1 +HETATM 4121 O O . HOH D 2 . ? 71.563 44.107 18.867 1.00 15.90 ? 471 HOH B O 1 +HETATM 4122 O O . HOH D 2 . ? 68.729 40.811 42.833 1.00 10.04 ? 473 HOH B O 1 +HETATM 4123 O O . HOH D 2 . ? 57.362 32.204 51.544 1.00 12.33 ? 475 HOH B O 1 +HETATM 4124 O O . HOH D 2 . ? 61.528 14.826 17.730 1.00 11.65 ? 476 HOH B O 1 +HETATM 4125 O O . HOH D 2 . ? 70.085 13.131 39.183 1.00 12.81 ? 477 HOH B O 1 +HETATM 4126 O O . HOH D 2 . ? 51.103 31.706 16.583 1.00 13.51 ? 478 HOH B O 1 +HETATM 4127 O O . HOH D 2 . ? 71.043 12.622 32.730 1.00 18.91 ? 483 HOH B O 1 +HETATM 4128 O O . HOH D 2 . ? 68.124 18.353 19.366 1.00 11.95 ? 485 HOH B O 1 +HETATM 4129 O O . HOH D 2 . ? 76.668 26.490 33.793 1.00 15.74 ? 490 HOH B O 1 +HETATM 4130 O O . HOH D 2 . ? 68.299 15.620 29.207 1.00 11.19 ? 491 HOH B O 1 +HETATM 4131 O O . HOH D 2 . ? 49.402 22.983 25.958 1.00 8.96 ? 492 HOH B O 1 +HETATM 4132 O O . HOH D 2 . ? 44.796 9.867 30.531 1.00 13.89 ? 496 HOH B O 1 +HETATM 4133 O O . HOH D 2 . ? 46.567 7.156 34.939 1.00 16.75 ? 498 HOH B O 1 +HETATM 4134 O O . HOH D 2 . ? 72.821 32.935 51.853 1.00 14.66 ? 499 HOH B O 1 +HETATM 4135 O O . HOH D 2 . ? 57.635 38.785 28.348 1.00 15.55 ? 504 HOH B O 1 +HETATM 4136 O O . HOH D 2 . ? 77.306 39.555 40.136 1.00 13.94 ? 505 HOH B O 1 +HETATM 4137 O O . HOH D 2 . ? 60.651 8.273 25.371 1.00 13.12 ? 506 HOH B O 1 +HETATM 4138 O O . HOH D 2 . ? 54.815 1.563 34.495 1.00 14.15 ? 508 HOH B O 1 +HETATM 4139 O O . HOH D 2 . ? 69.059 12.791 35.809 1.00 14.67 ? 513 HOH B O 1 +HETATM 4140 O O . HOH D 2 . ? 75.077 15.364 43.346 1.00 14.40 ? 514 HOH B O 1 +HETATM 4141 O O . HOH D 2 . ? 48.534 20.593 25.690 1.00 14.14 ? 516 HOH B O 1 +HETATM 4142 O O . HOH D 2 . ? 64.680 12.270 20.782 1.00 12.12 ? 518 HOH B O 1 +HETATM 4143 O O . HOH D 2 . ? 43.609 15.123 42.109 1.00 12.72 ? 519 HOH B O 1 +HETATM 4144 O O . HOH D 2 . ? 68.892 44.045 21.656 1.00 16.11 ? 521 HOH B O 1 +HETATM 4145 O O . HOH D 2 . ? 53.453 33.121 43.966 1.00 12.65 ? 522 HOH B O 1 +HETATM 4146 O O . HOH D 2 . ? 53.260 9.841 21.807 1.00 11.39 ? 524 HOH B O 1 +HETATM 4147 O O . HOH D 2 . ? 70.819 24.202 27.247 1.00 17.39 ? 527 HOH B O 1 +HETATM 4148 O O . HOH D 2 . ? 46.039 9.924 23.915 1.00 13.27 ? 528 HOH B O 1 +HETATM 4149 O O . HOH D 2 . ? 74.313 41.719 25.823 1.00 13.63 ? 529 HOH B O 1 +HETATM 4150 O O . HOH D 2 . ? 64.687 47.454 41.042 1.00 18.66 ? 532 HOH B O 1 +HETATM 4151 O O . HOH D 2 . ? 58.299 5.946 30.905 1.00 12.67 ? 534 HOH B O 1 +HETATM 4152 O O . HOH D 2 . ? 57.898 40.835 23.832 1.00 18.40 ? 541 HOH B O 1 +HETATM 4153 O O . HOH D 2 . ? 74.900 34.374 36.924 1.00 14.79 ? 543 HOH B O 1 +HETATM 4154 O O . HOH D 2 . ? 67.911 9.951 33.200 1.00 17.49 ? 547 HOH B O 1 +HETATM 4155 O O . HOH D 2 . ? 65.979 34.050 51.259 1.00 15.39 ? 550 HOH B O 1 +HETATM 4156 O O . HOH D 2 . ? 54.325 29.169 50.111 1.00 15.12 ? 551 HOH B O 1 +HETATM 4157 O O . HOH D 2 . ? 57.124 13.450 50.791 1.00 16.71 ? 558 HOH B O 1 +HETATM 4158 O O . HOH D 2 . ? 74.627 31.709 30.028 1.00 19.95 ? 561 HOH B O 1 +HETATM 4159 O O . HOH D 2 . ? 67.616 8.469 25.904 1.00 18.30 ? 562 HOH B O 1 +HETATM 4160 O O . HOH D 2 . ? 57.808 29.334 32.760 1.00 16.60 ? 570 HOH B O 1 +HETATM 4161 O O . HOH D 2 . ? 62.514 29.998 52.485 1.00 17.15 ? 571 HOH B O 1 +HETATM 4162 O O . HOH D 2 . ? 64.090 37.733 13.057 1.00 11.78 ? 572 HOH B O 1 +HETATM 4163 O O . HOH D 2 . ? 54.282 23.763 51.560 1.00 16.61 ? 573 HOH B O 1 +HETATM 4164 O O . HOH D 2 . ? 52.779 18.256 54.627 1.00 17.35 ? 575 HOH B O 1 +HETATM 4165 O O . HOH D 2 . ? 54.984 26.050 50.001 1.00 19.25 ? 577 HOH B O 1 +HETATM 4166 O O . HOH D 2 . ? 64.798 25.858 15.155 1.00 16.19 ? 579 HOH B O 1 +HETATM 4167 O O . HOH D 2 . ? 49.955 28.010 23.248 1.00 18.67 ? 580 HOH B O 1 +HETATM 4168 O O . HOH D 2 . ? 52.514 35.356 14.885 1.00 15.42 ? 581 HOH B O 1 +HETATM 4169 O O . HOH D 2 . ? 68.025 39.334 14.965 1.00 15.61 ? 583 HOH B O 1 +HETATM 4170 O O . HOH D 2 . ? 61.288 20.244 53.412 1.00 21.86 ? 589 HOH B O 1 +HETATM 4171 O O . HOH D 2 . ? 55.605 10.335 20.457 1.00 19.56 ? 591 HOH B O 1 +HETATM 4172 O O . HOH D 2 . ? 56.509 31.019 14.283 1.00 11.80 ? 592 HOH B O 1 +HETATM 4173 O O . HOH D 2 . ? 61.951 10.280 20.980 1.00 23.64 ? 595 HOH B O 1 +HETATM 4174 O O . HOH D 2 . ? 73.222 35.341 48.412 1.00 18.21 ? 597 HOH B O 1 +HETATM 4175 O O . HOH D 2 . ? 71.333 15.341 31.747 1.00 18.60 ? 601 HOH B O 1 +HETATM 4176 O O . HOH D 2 . ? 43.190 19.628 29.359 1.00 19.62 ? 602 HOH B O 1 +HETATM 4177 O O . HOH D 2 . ? 44.047 8.822 33.475 1.00 16.86 ? 604 HOH B O 1 +HETATM 4178 O O . HOH D 2 . ? 48.686 27.441 47.400 1.00 15.82 ? 605 HOH B O 1 +HETATM 4179 O O . HOH D 2 . ? 74.752 35.785 12.686 1.00 17.06 ? 607 HOH B O 1 +HETATM 4180 O O . HOH D 2 . ? 66.051 29.435 45.484 1.00 14.57 ? 608 HOH B O 1 +HETATM 4181 O O . HOH D 2 . ? 57.269 7.202 46.835 1.00 19.88 ? 611 HOH B O 1 +HETATM 4182 O O . HOH D 2 . ? 70.404 21.783 25.868 1.00 18.01 ? 613 HOH B O 1 +HETATM 4183 O O . HOH D 2 . ? 59.428 45.372 36.350 1.00 22.20 ? 615 HOH B O 1 +HETATM 4184 O O . HOH D 2 . ? 62.570 45.313 19.833 1.00 21.88 ? 616 HOH B O 1 +HETATM 4185 O O . HOH D 2 . ? 77.199 40.176 47.712 1.00 26.36 ? 617 HOH B O 1 +HETATM 4186 O O . HOH D 2 . ? 71.500 36.799 46.946 1.00 17.02 ? 618 HOH B O 1 +HETATM 4187 O O . HOH D 2 . ? 73.205 22.306 52.718 1.00 21.75 ? 619 HOH B O 1 +HETATM 4188 O O . HOH D 2 . ? 66.008 40.964 48.960 1.00 18.16 ? 620 HOH B O 1 +HETATM 4189 O O . HOH D 2 . ? 54.271 35.391 30.052 1.00 15.97 ? 624 HOH B O 1 +HETATM 4190 O O . HOH D 2 . ? 78.331 45.103 42.672 1.00 13.12 ? 625 HOH B O 1 +HETATM 4191 O O . HOH D 2 . ? 74.968 39.835 46.377 1.00 23.69 ? 627 HOH B O 1 +HETATM 4192 O O . HOH D 2 . ? 52.721 21.843 54.545 1.00 18.16 ? 628 HOH B O 1 +HETATM 4193 O O . HOH D 2 . ? 73.626 17.092 49.127 1.00 19.64 ? 629 HOH B O 1 +HETATM 4194 O O . HOH D 2 . ? 47.605 34.542 28.556 1.00 23.20 ? 630 HOH B O 1 +HETATM 4195 O O . HOH D 2 . ? 79.558 29.786 50.039 1.00 22.96 ? 632 HOH B O 1 +HETATM 4196 O O . HOH D 2 . ? 73.871 47.187 45.569 1.00 19.71 ? 633 HOH B O 1 +HETATM 4197 O O . HOH D 2 . ? 66.722 38.549 12.777 1.00 21.39 ? 634 HOH B O 1 +HETATM 4198 O O . HOH D 2 . ? 45.053 27.766 35.941 1.00 21.35 ? 635 HOH B O 1 +HETATM 4199 O O . HOH D 2 . ? 65.892 41.004 14.733 1.00 18.07 ? 637 HOH B O 1 +HETATM 4200 O O . HOH D 2 . ? 65.461 8.782 33.297 1.00 18.19 ? 640 HOH B O 1 +HETATM 4201 O O . HOH D 2 . ? 54.822 36.183 11.123 1.00 19.57 ? 641 HOH B O 1 +HETATM 4202 O O . HOH D 2 . ? 53.503 32.500 12.381 1.00 17.86 ? 642 HOH B O 1 +HETATM 4203 O O . HOH D 2 . ? 76.355 37.924 29.404 1.00 21.07 ? 643 HOH B O 1 +HETATM 4204 O O . HOH D 2 . ? 53.622 31.529 32.456 1.00 14.31 ? 645 HOH B O 1 +HETATM 4205 O O . HOH D 2 . ? 56.834 36.376 34.931 1.00 24.05 ? 647 HOH B O 1 +HETATM 4206 O O . HOH D 2 . ? 46.949 19.311 48.405 1.00 19.94 ? 648 HOH B O 1 +HETATM 4207 O O . HOH D 2 . ? 75.399 34.233 15.682 1.00 18.03 ? 649 HOH B O 1 +HETATM 4208 O O . HOH D 2 . ? 72.685 39.245 48.146 1.00 21.23 ? 652 HOH B O 1 +HETATM 4209 O O . HOH D 2 . ? 50.381 34.283 16.821 1.00 21.60 ? 656 HOH B O 1 +HETATM 4210 O O . HOH D 2 . ? 65.265 52.315 32.428 1.00 29.39 ? 659 HOH B O 1 +HETATM 4211 O O . HOH D 2 . ? 44.652 14.236 33.214 1.00 20.41 ? 660 HOH B O 1 +HETATM 4212 O O . HOH D 2 . ? 43.167 19.342 32.779 1.00 21.90 ? 661 HOH B O 1 +HETATM 4213 O O . HOH D 2 . ? 54.270 3.750 31.334 1.00 19.38 ? 665 HOH B O 1 +HETATM 4214 O O . HOH D 2 . ? 57.960 34.051 11.683 1.00 17.40 ? 667 HOH B O 1 +HETATM 4215 O O . HOH D 2 . ? 76.586 30.550 34.692 1.00 20.36 ? 669 HOH B O 1 +HETATM 4216 O O . HOH D 2 . ? 52.485 34.312 34.915 1.00 15.05 ? 675 HOH B O 1 +HETATM 4217 O O . HOH D 2 . ? 47.861 7.602 26.914 1.00 17.57 ? 677 HOH B O 1 +HETATM 4218 O O . HOH D 2 . ? 60.439 26.190 53.359 1.00 17.55 ? 679 HOH B O 1 +HETATM 4219 O O . HOH D 2 . ? 72.755 45.975 48.870 1.00 19.71 ? 680 HOH B O 1 +HETATM 4220 O O . HOH D 2 . ? 73.991 13.536 41.301 1.00 15.51 ? 681 HOH B O 1 +HETATM 4221 O O . HOH D 2 . ? 76.714 43.994 39.914 1.00 22.31 ? 683 HOH B O 1 +HETATM 4222 O O . HOH D 2 . ? 62.619 44.468 22.479 1.00 19.37 ? 684 HOH B O 1 +HETATM 4223 O O . HOH D 2 . ? 67.030 44.363 27.549 1.00 21.62 ? 686 HOH B O 1 +HETATM 4224 O O . HOH D 2 . ? 71.361 43.917 49.681 1.00 22.96 ? 687 HOH B O 1 +HETATM 4225 O O . HOH D 2 . ? 75.585 32.551 38.834 1.00 22.57 ? 688 HOH B O 1 +HETATM 4226 O O . HOH D 2 . ? 56.340 34.578 43.050 1.00 15.49 ? 690 HOH B O 1 +HETATM 4227 O O . HOH D 2 . ? 64.503 49.033 33.630 1.00 20.47 ? 691 HOH B O 1 +HETATM 4228 O O . HOH D 2 . ? 52.370 41.487 17.730 1.00 22.14 ? 693 HOH B O 1 +HETATM 4229 O O . HOH D 2 . ? 77.328 39.536 19.304 1.00 22.06 ? 694 HOH B O 1 +HETATM 4230 O O . HOH D 2 . ? 80.613 28.371 39.434 1.00 28.63 ? 695 HOH B O 1 +HETATM 4231 O O . HOH D 2 . ? 71.262 20.208 21.526 1.00 27.89 ? 697 HOH B O 1 +HETATM 4232 O O . HOH D 2 . ? 71.886 22.155 50.306 1.00 35.35 ? 699 HOH B O 1 +HETATM 4233 O O . HOH D 2 . ? 78.026 23.538 35.976 1.00 22.92 ? 700 HOH B O 1 +HETATM 4234 O O . HOH D 2 . ? 45.260 7.907 38.520 1.00 22.81 ? 701 HOH B O 1 +HETATM 4235 O O . HOH D 2 . ? 54.999 40.471 32.148 1.00 22.14 ? 704 HOH B O 1 +HETATM 4236 O O . HOH D 2 . ? 47.239 7.762 22.818 1.00 20.90 ? 707 HOH B O 1 +HETATM 4237 O O . HOH D 2 . ? 49.251 39.202 27.308 1.00 26.21 ? 710 HOH B O 1 +HETATM 4238 O O . HOH D 2 . ? 71.175 28.159 11.462 1.00 22.98 ? 711 HOH B O 1 +HETATM 4239 O O . HOH D 2 . ? 73.701 34.332 30.761 1.00 19.86 ? 714 HOH B O 1 +HETATM 4240 O O . HOH D 2 . ? 67.898 9.827 38.284 1.00 26.52 ? 715 HOH B O 1 +HETATM 4241 O O . HOH D 2 . ? 63.584 19.321 12.960 1.00 23.24 ? 716 HOH B O 1 +HETATM 4242 O O . HOH D 2 . ? 65.869 5.421 29.859 1.00 29.67 ? 717 HOH B O 1 +HETATM 4243 O O . HOH D 2 . ? 44.388 20.867 47.817 1.00 29.15 ? 720 HOH B O 1 +HETATM 4244 O O . HOH D 2 . ? 53.672 7.347 22.785 1.00 21.59 ? 723 HOH B O 1 +HETATM 4245 O O . HOH D 2 . ? 51.783 25.401 22.934 1.00 4.29 ? 726 HOH B O 1 +HETATM 4246 O O . HOH D 2 . ? 42.300 9.946 31.663 1.00 20.15 ? 729 HOH B O 1 +HETATM 4247 O O . HOH D 2 . ? 45.559 7.250 30.521 1.00 12.62 ? 730 HOH B O 1 +HETATM 4248 O O . HOH D 2 . ? 64.937 26.343 12.380 1.00 14.77 ? 731 HOH B O 1 +HETATM 4249 O O . HOH D 2 . ? 68.562 29.867 12.941 1.00 12.21 ? 732 HOH B O 1 +HETATM 4250 O O . HOH D 2 . ? 49.574 23.526 23.424 1.00 19.79 ? 733 HOH B O 1 +HETATM 4251 O O . HOH D 2 . ? 58.972 31.785 10.836 1.00 15.79 ? 735 HOH B O 1 +HETATM 4252 O O . HOH D 2 . ? 71.971 29.286 16.297 1.00 17.10 ? 737 HOH B O 1 +HETATM 4253 O O . HOH D 2 . ? 59.217 31.996 53.563 1.00 15.94 ? 739 HOH B O 1 +HETATM 4254 O O . HOH D 2 . ? 70.525 28.239 14.068 1.00 14.33 ? 740 HOH B O 1 +HETATM 4255 O O . HOH D 2 . ? 77.240 38.336 37.667 1.00 18.40 ? 743 HOH B O 1 +HETATM 4256 O O . HOH D 2 . ? 46.333 25.236 35.152 1.00 18.00 ? 745 HOH B O 1 +HETATM 4257 O O . HOH D 2 . ? 45.704 6.247 27.952 1.00 17.87 ? 749 HOH B O 1 +HETATM 4258 O O . HOH D 2 . ? 74.808 27.519 29.664 1.00 30.63 ? 752 HOH B O 1 +HETATM 4259 O O . HOH D 2 . ? 69.190 31.397 10.711 1.00 19.32 ? 753 HOH B O 1 +HETATM 4260 O O . HOH D 2 . ? 62.249 12.975 19.674 1.00 16.23 ? 756 HOH B O 1 +HETATM 4261 O O . HOH D 2 . ? 77.295 35.589 37.365 1.00 20.11 ? 757 HOH B O 1 +HETATM 4262 O O . HOH D 2 . ? 76.195 31.666 15.032 1.00 20.96 ? 758 HOH B O 1 +HETATM 4263 O O . HOH D 2 . ? 78.772 42.039 40.309 1.00 19.08 ? 759 HOH B O 1 +HETATM 4264 O O . HOH D 2 . ? 63.706 15.767 16.163 1.00 19.13 ? 761 HOH B O 1 +HETATM 4265 O O . HOH D 2 . ? 70.852 14.899 28.881 1.00 21.18 ? 763 HOH B O 1 +HETATM 4266 O O . HOH D 2 . ? 77.199 21.281 41.218 1.00 21.10 ? 764 HOH B O 1 +HETATM 4267 O O . HOH D 2 . ? 67.499 36.246 52.310 1.00 21.01 ? 765 HOH B O 1 +HETATM 4268 O O . HOH D 2 . ? 45.593 17.607 25.943 1.00 19.63 ? 766 HOH B O 1 +HETATM 4269 O O . HOH D 2 . ? 59.327 42.758 16.981 1.00 20.86 ? 770 HOH B O 1 +HETATM 4270 O O . HOH D 2 . ? 51.060 5.489 28.438 1.00 18.69 ? 772 HOH B O 1 +HETATM 4271 O O . HOH D 2 . ? 71.129 23.010 54.292 1.00 20.31 ? 775 HOH B O 1 +HETATM 4272 O O . HOH D 2 . ? 55.284 -0.073 32.448 1.00 27.20 ? 777 HOH B O 1 +HETATM 4273 O O . HOH D 2 . ? 60.991 28.680 54.512 1.00 20.56 ? 778 HOH B O 1 +HETATM 4274 O O . HOH D 2 . ? 69.837 10.713 40.674 1.00 21.64 ? 779 HOH B O 1 +HETATM 4275 O O . HOH D 2 . ? 72.237 19.960 27.081 1.00 24.12 ? 780 HOH B O 1 +HETATM 4276 O O . HOH D 2 . ? 54.191 38.382 42.447 1.00 21.32 ? 785 HOH B O 1 +HETATM 4277 O O . HOH D 2 . ? 66.933 43.551 14.420 1.00 20.68 ? 786 HOH B O 1 +HETATM 4278 O O . HOH D 2 . ? 69.429 25.728 14.398 1.00 21.10 ? 787 HOH B O 1 +HETATM 4279 O O . HOH D 2 . ? 42.686 7.886 27.632 1.00 22.08 ? 789 HOH B O 1 +HETATM 4280 O O . HOH D 2 . ? 45.652 16.925 47.523 1.00 24.74 ? 790 HOH B O 1 +HETATM 4281 O O . HOH D 2 . ? 63.475 16.615 13.605 1.00 25.87 ? 794 HOH B O 1 +HETATM 4282 O O . HOH D 2 . ? 77.198 46.030 38.154 1.00 21.16 ? 795 HOH B O 1 +HETATM 4283 O O . HOH D 2 . ? 65.170 45.532 23.534 1.00 20.93 ? 796 HOH B O 1 +HETATM 4284 O O . HOH D 2 . ? 70.912 25.452 55.529 1.00 21.45 ? 799 HOH B O 1 +HETATM 4285 O O . HOH D 2 . ? 48.893 31.393 27.414 1.00 22.11 ? 800 HOH B O 1 +HETATM 4286 O O . HOH D 2 . ? 67.686 44.961 24.903 1.00 21.21 ? 802 HOH B O 1 +HETATM 4287 O O . HOH D 2 . ? 57.802 14.508 53.444 1.00 26.13 ? 805 HOH B O 1 +HETATM 4288 O O . HOH D 2 . ? 50.950 41.185 28.240 1.00 21.92 ? 806 HOH B O 1 +HETATM 4289 O O . HOH D 2 . ? 51.896 27.531 47.680 1.00 21.94 ? 807 HOH B O 1 +HETATM 4290 O O . HOH D 2 . ? 53.476 31.629 15.157 1.00 21.16 ? 808 HOH B O 1 +HETATM 4291 O O . HOH D 2 . ? 44.038 10.308 27.999 1.00 25.42 ? 809 HOH B O 1 +HETATM 4292 O O . HOH D 2 . ? 52.484 36.261 9.366 1.00 20.97 ? 814 HOH B O 1 +HETATM 4293 O O . HOH D 2 . ? 70.308 9.211 25.202 1.00 23.35 ? 815 HOH B O 1 +HETATM 4294 O O . HOH D 2 . ? 52.179 3.443 29.771 1.00 19.10 ? 816 HOH B O 1 +HETATM 4295 O O . HOH D 2 . ? 75.944 25.474 31.313 1.00 26.01 ? 823 HOH B O 1 +HETATM 4296 O O . HOH D 2 . ? 51.516 30.318 49.535 1.00 23.10 ? 824 HOH B O 1 +HETATM 4297 O O . HOH D 2 . ? 43.762 8.179 23.349 1.00 25.71 ? 825 HOH B O 1 +HETATM 4298 O O . HOH D 2 . ? 64.784 17.712 55.290 1.00 26.97 ? 828 HOH B O 1 +HETATM 4299 O O . HOH D 2 . ? 59.323 8.245 45.207 1.00 26.59 ? 829 HOH B O 1 +HETATM 4300 O O . HOH D 2 . ? 43.878 26.740 38.548 1.00 22.25 ? 836 HOH B O 1 +HETATM 4301 O O . HOH D 2 . ? 56.345 31.751 33.191 1.00 22.63 ? 842 HOH B O 1 +HETATM 4302 O O . HOH D 2 . ? 51.980 33.302 31.376 1.00 24.22 ? 843 HOH B O 1 +HETATM 4303 O O . HOH D 2 . ? 66.060 6.500 39.685 1.00 27.74 ? 844 HOH B O 1 +HETATM 4304 O O . HOH D 2 . ? 49.057 27.129 27.362 1.00 23.34 ? 845 HOH B O 1 +HETATM 4305 O O . HOH D 2 . ? 69.664 15.751 54.562 1.00 24.14 ? 853 HOH B O 1 +HETATM 4306 O O . HOH D 2 . ? 46.563 28.140 45.664 1.00 24.49 ? 855 HOH B O 1 +HETATM 4307 O O . HOH D 2 . ? 43.834 12.484 31.270 1.00 22.41 ? 856 HOH B O 1 +HETATM 4308 O O . HOH D 2 . ? 58.704 2.440 38.290 1.00 23.70 ? 857 HOH B O 1 +HETATM 4309 O O . HOH D 2 . ? 55.631 5.275 29.479 1.00 25.60 ? 861 HOH B O 1 +HETATM 4310 O O . HOH D 2 . ? 62.708 46.108 42.478 1.00 26.97 ? 862 HOH B O 1 +HETATM 4311 O O . HOH D 2 . ? 46.178 9.825 37.057 1.00 35.81 ? 865 HOH B O 1 +HETATM 4312 O O . HOH D 2 . ? 72.664 13.683 35.046 1.00 26.30 ? 871 HOH B O 1 +HETATM 4313 O O . HOH D 2 . ? 77.587 22.398 47.062 1.00 27.70 ? 872 HOH B O 1 +HETATM 4314 O O . HOH D 2 . ? 73.261 17.018 32.654 1.00 22.54 ? 874 HOH B O 1 +HETATM 4315 O O . HOH D 2 . ? 61.147 23.922 54.561 1.00 25.41 ? 875 HOH B O 1 +HETATM 4316 O O . HOH D 2 . ? 58.527 35.547 44.245 1.00 19.72 ? 876 HOH B O 1 +HETATM 4317 O O . HOH D 2 . ? 53.929 38.261 29.554 1.00 29.32 ? 878 HOH B O 1 +HETATM 4318 O O . HOH D 2 . ? 66.724 24.783 54.716 1.00 22.77 ? 880 HOH B O 1 +HETATM 4319 O O . HOH D 2 . ? 55.151 24.754 54.163 1.00 27.77 ? 881 HOH B O 1 +HETATM 4320 O O . HOH D 2 . ? 64.499 9.544 20.670 1.00 26.66 ? 882 HOH B O 1 +HETATM 4321 O O . HOH D 2 . ? 44.718 26.401 44.399 1.00 24.04 ? 883 HOH B O 1 +HETATM 4322 O O . HOH D 2 . ? 54.764 30.997 52.012 1.00 29.50 ? 884 HOH B O 1 +HETATM 4323 O O . HOH D 2 . ? 64.768 9.468 47.867 1.00 26.71 ? 886 HOH B O 1 +HETATM 4324 O O . HOH D 2 . ? 65.070 7.186 35.711 1.00 25.91 ? 887 HOH B O 1 +HETATM 4325 O O . HOH D 2 . ? 75.476 42.943 23.711 1.00 25.95 ? 893 HOH B O 1 +HETATM 4326 O O . HOH D 2 . ? 68.865 9.640 30.628 1.00 29.43 ? 895 HOH B O 1 +HETATM 4327 O O . HOH D 2 . ? 75.176 46.379 49.946 1.00 28.30 ? 897 HOH B O 1 +HETATM 4328 O O . HOH D 2 . ? 43.034 8.944 39.925 1.00 24.50 ? 899 HOH B O 1 +HETATM 4329 O O . HOH D 2 . ? 48.807 32.553 18.671 1.00 32.79 ? 900 HOH B O 1 +HETATM 4330 O O . HOH D 2 . ? 49.369 11.127 47.157 1.00 24.84 ? 901 HOH B O 1 +HETATM 4331 O O . HOH D 2 . ? 60.943 47.560 37.127 1.00 29.42 ? 902 HOH B O 1 +HETATM 4332 O O . HOH D 2 . ? 72.309 24.979 25.213 1.00 35.30 ? 903 HOH B O 1 +HETATM 4333 O O . HOH D 2 . ? 59.642 40.676 28.678 1.00 29.98 ? 905 HOH B O 1 +HETATM 4334 O O . HOH D 2 . ? 75.155 27.737 54.821 1.00 24.29 ? 906 HOH B O 1 +HETATM 4335 O O . HOH D 2 . ? 63.813 40.509 13.088 1.00 28.29 ? 909 HOH B O 1 +HETATM 4336 O O . HOH D 2 . ? 75.330 33.031 34.515 1.00 25.55 ? 912 HOH B O 1 +HETATM 4337 O O . HOH D 2 . ? 65.520 32.315 53.274 1.00 30.32 ? 918 HOH B O 1 +HETATM 4338 O O . HOH D 2 . ? 75.911 33.969 28.010 1.00 25.85 ? 919 HOH B O 1 +HETATM 4339 O O . HOH D 2 . ? 71.550 45.279 21.991 1.00 28.59 ? 921 HOH B O 1 +HETATM 4340 O O . HOH D 2 . ? 75.409 37.871 44.573 1.00 25.40 ? 922 HOH B O 1 +HETATM 4341 O O . HOH D 2 . ? 68.210 22.457 17.513 1.00 29.06 ? 923 HOH B O 1 +HETATM 4342 O O . HOH D 2 . ? 71.990 25.200 20.918 1.00 29.97 ? 925 HOH B O 1 +HETATM 4343 O O . HOH D 2 . ? 76.978 37.266 22.126 1.00 26.24 ? 931 HOH B O 1 +HETATM 4344 O O . HOH D 2 . ? 76.819 34.789 46.514 1.00 27.27 ? 932 HOH B O 1 +HETATM 4345 O O . HOH D 2 . ? 66.399 21.553 56.569 1.00 25.86 ? 933 HOH B O 1 +HETATM 4346 O O . HOH D 2 . ? 60.545 7.681 49.308 1.00 29.08 ? 935 HOH B O 1 +HETATM 4347 O O . HOH D 2 . ? 42.699 17.680 41.651 1.00 28.58 ? 936 HOH B O 1 +HETATM 4348 O O . HOH D 2 . ? 74.163 27.837 13.170 1.00 28.78 ? 938 HOH B O 1 +HETATM 4349 O O . HOH D 2 . ? 49.378 31.488 22.978 1.00 24.53 ? 939 HOH B O 1 +HETATM 4350 O O . HOH D 2 . ? 42.768 25.033 42.048 1.00 28.61 ? 940 HOH B O 1 +HETATM 4351 O O . HOH D 2 . ? 50.704 25.257 26.165 1.00 27.90 ? 943 HOH B O 1 +HETATM 4352 O O . HOH D 2 . ? 76.994 27.500 52.308 1.00 25.41 ? 944 HOH B O 1 +HETATM 4353 O O . HOH D 2 . ? 79.286 49.538 43.856 1.00 26.55 ? 945 HOH B O 1 +HETATM 4354 O O . HOH D 2 . ? 52.160 41.400 15.011 1.00 33.07 ? 948 HOH B O 1 +HETATM 4355 O O . HOH D 2 . ? 78.279 33.892 43.880 1.00 26.63 ? 949 HOH B O 1 +HETATM 4356 O O . HOH D 2 . ? 67.945 28.881 56.967 1.00 28.27 ? 951 HOH B O 1 +HETATM 4357 O O . HOH D 2 . ? 71.504 11.090 30.528 1.00 28.38 ? 952 HOH B O 1 +HETATM 4358 O O . HOH D 2 . ? 51.797 10.312 19.547 1.00 27.02 ? 953 HOH B O 1 +HETATM 4359 O O . HOH D 2 . ? 75.331 31.946 52.113 1.00 25.35 ? 961 HOH B O 1 +HETATM 4360 O O . HOH D 2 . ? 59.697 43.119 46.235 1.00 28.20 ? 962 HOH B O 1 +HETATM 4361 O O . HOH D 2 . ? 58.266 2.426 34.482 1.00 26.58 ? 964 HOH B O 1 +HETATM 4362 O O . HOH D 2 . ? 56.220 34.852 46.568 1.00 25.97 ? 965 HOH B O 1 +HETATM 4363 O O . HOH D 2 . ? 79.856 24.829 41.209 1.00 28.90 ? 967 HOH B O 1 +HETATM 4364 O O . HOH D 2 . ? 43.464 21.740 33.989 1.00 29.26 ? 970 HOH B O 1 +HETATM 4365 O O . HOH D 2 . ? 79.207 26.218 45.890 1.00 23.27 ? 971 HOH B O 1 +HETATM 4366 O O . HOH D 2 . ? 77.124 41.659 26.197 1.00 26.20 ? 972 HOH B O 1 +HETATM 4367 O O . HOH D 2 . ? 49.337 4.380 26.489 1.00 28.13 ? 974 HOH B O 1 +HETATM 4368 O O . HOH D 2 . ? 70.133 33.619 9.496 1.00 25.93 ? 980 HOH B O 1 +HETATM 4369 O O . HOH D 2 . ? 67.980 52.946 37.832 1.00 28.54 ? 983 HOH B O 1 +HETATM 4370 O O . HOH D 2 . ? 58.561 44.193 38.707 1.00 30.14 ? 985 HOH B O 1 +HETATM 4371 O O . HOH D 2 . ? 52.302 25.683 49.637 1.00 27.13 ? 986 HOH B O 1 +HETATM 4372 O O . HOH D 2 . ? 79.464 39.208 36.033 1.00 29.13 ? 989 HOH B O 1 +HETATM 4373 O O . HOH D 2 . ? 61.120 43.078 31.987 1.00 30.23 ? 991 HOH B O 1 +HETATM 4374 O O . HOH D 2 . ? 77.847 28.767 32.920 1.00 29.67 ? 992 HOH B O 1 +HETATM 4375 O O . HOH D 2 . ? 56.046 5.969 22.957 1.00 30.98 ? 993 HOH B O 1 +HETATM 4376 O O . HOH D 2 . ? 54.881 7.404 48.933 1.00 27.44 ? 994 HOH B O 1 +HETATM 4377 O O . HOH D 2 . ? 78.065 31.479 37.510 1.00 28.22 ? 995 HOH B O 1 +HETATM 4378 O O . HOH D 2 . ? 52.010 10.377 47.592 1.00 28.51 ? 998 HOH B O 1 +HETATM 4379 O O . HOH D 2 . ? 71.714 11.777 36.872 1.00 28.65 ? 1000 HOH B O 1 +HETATM 4380 O O . HOH D 2 . ? 55.112 11.715 51.379 1.00 28.30 ? 1001 HOH B O 1 +HETATM 4381 O O . HOH D 2 . ? 66.905 12.358 18.924 1.00 26.53 ? 1002 HOH B O 1 +HETATM 4382 O O . HOH D 2 . ? 63.199 24.550 56.201 1.00 32.71 ? 1007 HOH B O 1 +HETATM 4383 O O . HOH D 2 . ? 68.277 7.987 28.467 1.00 29.43 ? 1010 HOH B O 1 +HETATM 4384 O O . HOH D 2 . ? 54.673 4.075 42.127 1.00 26.16 ? 1011 HOH B O 1 +HETATM 4385 O O . HOH D 2 . ? 57.771 20.609 57.969 1.00 29.02 ? 1015 HOH B O 1 +HETATM 4386 O O . HOH D 2 . ? 69.375 9.749 45.460 1.00 33.30 ? 1016 HOH B O 1 +HETATM 4387 O O . HOH D 2 . ? 71.984 22.810 23.568 1.00 27.55 ? 1017 HOH B O 1 +HETATM 4388 O O . HOH D 2 . ? 60.866 46.754 40.093 1.00 32.66 ? 1018 HOH B O 1 +HETATM 4389 O O . HOH D 2 . ? 61.762 4.757 44.658 1.00 30.74 ? 1022 HOH B O 1 +HETATM 4390 O O . HOH D 2 . ? 61.124 21.918 56.478 1.00 33.18 ? 1023 HOH B O 1 +HETATM 4391 O O . HOH D 2 . ? 48.877 8.580 20.765 1.00 27.51 ? 1024 HOH B O 1 +HETATM 4392 O O . HOH D 2 . ? 53.306 6.136 26.975 1.00 31.57 ? 1028 HOH B O 1 +HETATM 4393 O O . HOH D 2 . ? 59.029 6.240 25.889 1.00 30.08 ? 1030 HOH B O 1 +# diff --git a/inputs/1KTN.pdb b/inputs/1KTN.pdb new file mode 100644 index 00000000000..d7bbbed482a --- /dev/null +++ b/inputs/1KTN.pdb @@ -0,0 +1,4766 @@ +HEADER STRUCTURAL GENOMICS, LYASE 16-JAN-02 1KTN +TITLE STRUCTURAL GENOMICS, PROTEIN EC1535 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: 2-DEOXYRIBOSE-5-PHOSPHATE ALDOLASE; +COMPND 3 CHAIN: A, B; +COMPND 4 EC: 4.1.2.4; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; +SOURCE 3 ORGANISM_TAXID: 562; +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); +SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID +KEYWDS BETA BARREL, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, +KEYWDS 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS, MCSG, LYASE +EXPDTA X-RAY DIFFRACTION +AUTHOR R.ZHANG,A.JOACHIMIAK,A.EDWARDS,T.SKARINA,E.EVDOKIMOVA,A.SAVCHENKO, +AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) +REVDAT 5 14-FEB-24 1KTN 1 REMARK +REVDAT 4 11-OCT-17 1KTN 1 REMARK +REVDAT 3 24-FEB-09 1KTN 1 VERSN +REVDAT 2 18-JAN-05 1KTN 1 AUTHOR KEYWDS REMARK +REVDAT 1 14-AUG-02 1KTN 0 +JRNL AUTH R.ZHANG,A.JOACHIMIAK,A.EDWARDS,T.SKARINA,E.EVDOKIMOVA, +JRNL AUTH 2 A.SAVCHENKO +JRNL TITL THE 1.5A CRYSTAL STRUCTURE OF 2-DEOXYRIBOSE-5-PHOSPHATE +JRNL TITL 2 ALDLASE +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.40 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 38.65 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 354397.400 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 88.9 +REMARK 3 NUMBER OF REFLECTIONS : 88731 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.186 +REMARK 3 FREE R VALUE : 0.205 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 4458 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.003 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 6 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.40 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.49 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 66.60 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 10460 +REMARK 3 BIN R VALUE (WORKING SET) : 0.1870 +REMARK 3 BIN FREE R VALUE : 0.1990 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.00 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 553 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.008 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3762 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 631 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 9.10 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 10.30 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.70000 +REMARK 3 B22 (A**2) : -0.14000 +REMARK 3 B33 (A**2) : -0.56000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.68000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.14 +REMARK 3 ESD FROM SIGMAA (A) : 0.03 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.16 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.04 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.004 +REMARK 3 BOND ANGLES (DEGREES) : 1.300 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.90 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.880 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : FLAT MODEL +REMARK 3 KSOL : 0.37 +REMARK 3 BSOL : 44.68 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM +REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM +REMARK 3 PARAMETER FILE 3 : NULL +REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP +REMARK 3 TOPOLOGY FILE 2 : ATP.TOP +REMARK 3 TOPOLOGY FILE 3 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1KTN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JAN-02. +REMARK 100 THE DEPOSITION ID IS D_1000015332. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 01-JAN-01 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 8.4 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 19-BM +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9798, 0.9650 +REMARK 200 MONOCHROMATOR : SI 111 CHANNEL +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : SBC-1 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK +REMARK 200 DATA SCALING SOFTWARE : HKL-2000 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 98786 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 200 DATA REDUNDANCY : 6.000 +REMARK 200 R MERGE (I) : 0.07800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 20.0000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.45 +REMARK 200 COMPLETENESS FOR SHELL (%) : 98.2 +REMARK 200 DATA REDUNDANCY IN SHELL : 4.46 +REMARK 200 R MERGE FOR SHELL (I) : 0.30900 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 2.440 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD +REMARK 200 SOFTWARE USED: CNS +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 48.31 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.38 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG4K, 0.2M MGCL2, 0.1M TRIS_HCL, +REMARK 280 PH 8.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 26.77900 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 300 REMARK: EC1535 EXISTED AS MONOMER. CHAIN A +REMARK 300 AND CHAIN B REPRESENT TWO MOLECULES +REMARK 300 IN ASYMMETRIC UNIT. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET B 1 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 LYS A 146 -57.44 66.81 +REMARK 500 ASN A 176 -129.30 -118.44 +REMARK 500 SER A 238 -77.68 -135.52 +REMARK 500 GLU B 141 65.47 61.64 +REMARK 500 LYS B 146 -58.26 66.07 +REMARK 500 ASN B 176 -131.63 -120.11 +REMARK 500 ALA B 228 63.37 -69.98 +REMARK 500 SER B 238 -77.89 -133.08 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: APC077 RELATED DB: TARGETDB +DBREF 1KTN A 1 250 UNP P0A6L0 DEOC_ECOLI 1 250 +DBREF 1KTN B 1 250 UNP P0A6L0 DEOC_ECOLI 1 250 +SEQRES 1 A 250 MET THR ASP LEU LYS ALA SER SER LEU ARG ALA LEU LYS +SEQRES 2 A 250 LEU MET ASP LEU THR THR LEU ASN ASP ASP ASP THR ASP +SEQRES 3 A 250 GLU LYS VAL ILE ALA LEU CYS HIS GLN ALA LYS THR PRO +SEQRES 4 A 250 VAL GLY ASN THR ALA ALA ILE CYS ILE TYR PRO ARG PHE +SEQRES 5 A 250 ILE PRO ILE ALA ARG LYS THR LEU LYS GLU GLN GLY THR +SEQRES 6 A 250 PRO GLU ILE ARG ILE ALA THR VAL THR ASN PHE PRO HIS +SEQRES 7 A 250 GLY ASN ASP ASP ILE ASP ILE ALA LEU ALA GLU THR ARG +SEQRES 8 A 250 ALA ALA ILE ALA TYR GLY ALA ASP GLU VAL ASP VAL VAL +SEQRES 9 A 250 PHE PRO TYR ARG ALA LEU MET ALA GLY ASN GLU GLN VAL +SEQRES 10 A 250 GLY PHE ASP LEU VAL LYS ALA CYS LYS GLU ALA CYS ALA +SEQRES 11 A 250 ALA ALA ASN VAL LEU LEU LYS VAL ILE ILE GLU THR GLY +SEQRES 12 A 250 GLU LEU LYS ASP GLU ALA LEU ILE ARG LYS ALA SER GLU +SEQRES 13 A 250 ILE SER ILE LYS ALA GLY ALA ASP PHE ILE LYS THR SER +SEQRES 14 A 250 THR GLY LYS VAL ALA VAL ASN ALA THR PRO GLU SER ALA +SEQRES 15 A 250 ARG ILE MET MET GLU VAL ILE ARG ASP MET GLY VAL GLU +SEQRES 16 A 250 LYS THR VAL GLY PHE LYS PRO ALA GLY GLY VAL ARG THR +SEQRES 17 A 250 ALA GLU ASP ALA GLN LYS TYR LEU ALA ILE ALA ASP GLU +SEQRES 18 A 250 LEU PHE GLY ALA ASP TRP ALA ASP ALA ARG HIS TYR ARG +SEQRES 19 A 250 PHE GLY ALA SER SER LEU LEU ALA SER LEU LEU LYS ALA +SEQRES 20 A 250 LEU GLY HIS +SEQRES 1 B 250 MET THR ASP LEU LYS ALA SER SER LEU ARG ALA LEU LYS +SEQRES 2 B 250 LEU MET ASP LEU THR THR LEU ASN ASP ASP ASP THR ASP +SEQRES 3 B 250 GLU LYS VAL ILE ALA LEU CYS HIS GLN ALA LYS THR PRO +SEQRES 4 B 250 VAL GLY ASN THR ALA ALA ILE CYS ILE TYR PRO ARG PHE +SEQRES 5 B 250 ILE PRO ILE ALA ARG LYS THR LEU LYS GLU GLN GLY THR +SEQRES 6 B 250 PRO GLU ILE ARG ILE ALA THR VAL THR ASN PHE PRO HIS +SEQRES 7 B 250 GLY ASN ASP ASP ILE ASP ILE ALA LEU ALA GLU THR ARG +SEQRES 8 B 250 ALA ALA ILE ALA TYR GLY ALA ASP GLU VAL ASP VAL VAL +SEQRES 9 B 250 PHE PRO TYR ARG ALA LEU MET ALA GLY ASN GLU GLN VAL +SEQRES 10 B 250 GLY PHE ASP LEU VAL LYS ALA CYS LYS GLU ALA CYS ALA +SEQRES 11 B 250 ALA ALA ASN VAL LEU LEU LYS VAL ILE ILE GLU THR GLY +SEQRES 12 B 250 GLU LEU LYS ASP GLU ALA LEU ILE ARG LYS ALA SER GLU +SEQRES 13 B 250 ILE SER ILE LYS ALA GLY ALA ASP PHE ILE LYS THR SER +SEQRES 14 B 250 THR GLY LYS VAL ALA VAL ASN ALA THR PRO GLU SER ALA +SEQRES 15 B 250 ARG ILE MET MET GLU VAL ILE ARG ASP MET GLY VAL GLU +SEQRES 16 B 250 LYS THR VAL GLY PHE LYS PRO ALA GLY GLY VAL ARG THR +SEQRES 17 B 250 ALA GLU ASP ALA GLN LYS TYR LEU ALA ILE ALA ASP GLU +SEQRES 18 B 250 LEU PHE GLY ALA ASP TRP ALA ASP ALA ARG HIS TYR ARG +SEQRES 19 B 250 PHE GLY ALA SER SER LEU LEU ALA SER LEU LEU LYS ALA +SEQRES 20 B 250 LEU GLY HIS +FORMUL 3 HOH *631(H2 O) +HELIX 1 1 MET A 1 LYS A 13 1 13 +HELIX 2 2 THR A 25 ALA A 36 1 12 +HELIX 3 3 TYR A 49 ARG A 51 5 3 +HELIX 4 4 PHE A 52 GLN A 63 1 12 +HELIX 5 5 ASP A 82 GLY A 97 1 16 +HELIX 6 6 PRO A 106 ALA A 112 1 7 +HELIX 7 7 GLU A 115 ALA A 132 1 18 +HELIX 8 8 GLU A 141 LYS A 146 1 6 +HELIX 9 9 ASP A 147 ALA A 161 1 15 +HELIX 10 10 THR A 178 GLY A 193 1 16 +HELIX 11 11 THR A 208 GLY A 224 1 17 +HELIX 12 12 SER A 239 LEU A 248 1 10 +HELIX 13 13 THR B 2 LYS B 13 1 12 +HELIX 14 14 THR B 25 ALA B 36 1 12 +HELIX 15 15 TYR B 49 ARG B 51 5 3 +HELIX 16 16 PHE B 52 GLN B 63 1 12 +HELIX 17 17 ASP B 82 GLY B 97 1 16 +HELIX 18 18 PRO B 106 ALA B 112 1 7 +HELIX 19 19 GLU B 115 ALA B 132 1 18 +HELIX 20 20 GLU B 141 LYS B 146 1 6 +HELIX 21 21 ASP B 147 ALA B 161 1 15 +HELIX 22 22 THR B 178 GLY B 193 1 16 +HELIX 23 23 THR B 208 GLY B 224 1 17 +HELIX 24 24 SER B 239 LEU B 248 1 10 +SHEET 1 A 8 GLY A 199 LYS A 201 0 +SHEET 2 A 8 PHE A 165 LYS A 167 1 N ILE A 166 O GLY A 199 +SHEET 3 A 8 LEU A 135 ILE A 139 1 N VAL A 138 O LYS A 167 +SHEET 4 A 8 GLU A 100 VAL A 104 1 N VAL A 103 O ILE A 139 +SHEET 5 A 8 ARG A 69 THR A 74 1 N THR A 72 O ASP A 102 +SHEET 6 A 8 ALA A 45 ILE A 48 1 N ILE A 46 O ALA A 71 +SHEET 7 A 8 MET A 15 THR A 18 1 N LEU A 17 O ALA A 45 +SHEET 8 A 8 PHE A 235 ALA A 237 1 O PHE A 235 N ASP A 16 +SHEET 1 B 2 LYS A 37 THR A 38 0 +SHEET 2 B 2 GLY A 41 ASN A 42 -1 O GLY A 41 N THR A 38 +SHEET 1 C 8 GLY B 199 LYS B 201 0 +SHEET 2 C 8 PHE B 165 LYS B 167 1 N ILE B 166 O GLY B 199 +SHEET 3 C 8 LEU B 135 ILE B 139 1 N VAL B 138 O LYS B 167 +SHEET 4 C 8 GLU B 100 VAL B 104 1 N VAL B 103 O ILE B 139 +SHEET 5 C 8 ARG B 69 THR B 74 1 N THR B 72 O ASP B 102 +SHEET 6 C 8 ALA B 45 ILE B 48 1 N ILE B 46 O ALA B 71 +SHEET 7 C 8 MET B 15 THR B 18 1 N LEU B 17 O ALA B 45 +SHEET 8 C 8 PHE B 235 ALA B 237 1 O PHE B 235 N ASP B 16 +SHEET 1 D 2 LYS B 37 THR B 38 0 +SHEET 2 D 2 GLY B 41 ASN B 42 -1 O GLY B 41 N THR B 38 +CISPEP 1 PHE A 76 PRO A 77 0 -0.11 +CISPEP 2 PHE B 76 PRO B 77 0 -0.15 +CRYST1 62.566 53.558 81.365 90.00 109.97 90.00 P 1 21 1 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.015983 0.000000 0.005808 0.00000 +SCALE2 0.000000 0.018671 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.013077 0.00000 +ATOM 1 N MET A 1 18.268 21.675 -4.704 1.00 24.35 N +ATOM 2 CA MET A 1 17.473 20.620 -5.398 1.00 24.18 C +ATOM 3 C MET A 1 18.135 19.255 -5.230 1.00 23.74 C +ATOM 4 O MET A 1 18.921 19.044 -4.309 1.00 23.70 O +ATOM 5 CB MET A 1 17.352 20.941 -6.890 1.00 24.80 C +ATOM 6 CG MET A 1 18.682 20.945 -7.635 1.00 25.50 C +ATOM 7 SD MET A 1 18.473 20.979 -9.426 1.00 26.82 S +ATOM 8 CE MET A 1 18.396 22.741 -9.733 1.00 26.45 C +ATOM 9 N THR A 2 17.813 18.334 -6.132 1.00 23.16 N +ATOM 10 CA THR A 2 18.379 16.992 -6.089 1.00 22.44 C +ATOM 11 C THR A 2 19.884 17.048 -6.328 1.00 21.79 C +ATOM 12 O THR A 2 20.665 16.531 -5.529 1.00 21.79 O +ATOM 13 CB THR A 2 17.744 16.089 -7.160 1.00 22.58 C +ATOM 14 OG1 THR A 2 16.317 16.140 -7.042 1.00 22.80 O +ATOM 15 CG2 THR A 2 18.211 14.651 -6.987 1.00 22.60 C +ATOM 16 N ASP A 3 20.288 17.675 -7.430 1.00 20.98 N +ATOM 17 CA ASP A 3 21.705 17.790 -7.755 1.00 20.03 C +ATOM 18 C ASP A 3 22.448 18.509 -6.635 1.00 19.09 C +ATOM 19 O ASP A 3 23.529 18.087 -6.226 1.00 18.92 O +ATOM 20 CB ASP A 3 21.905 18.554 -9.067 1.00 20.57 C +ATOM 21 CG ASP A 3 21.375 17.798 -10.274 1.00 20.94 C +ATOM 22 OD1 ASP A 3 21.707 16.603 -10.427 1.00 21.21 O +ATOM 23 OD2 ASP A 3 20.636 18.405 -11.080 1.00 21.46 O +ATOM 24 N LEU A 4 21.860 19.595 -6.142 1.00 18.00 N +ATOM 25 CA LEU A 4 22.475 20.373 -5.072 1.00 16.80 C +ATOM 26 C LEU A 4 22.657 19.542 -3.808 1.00 16.10 C +ATOM 27 O LEU A 4 23.699 19.622 -3.156 1.00 15.76 O +ATOM 28 CB LEU A 4 21.632 21.614 -4.760 1.00 16.72 C +ATOM 29 CG LEU A 4 22.188 22.554 -3.687 1.00 16.58 C +ATOM 30 CD1 LEU A 4 23.618 22.958 -4.032 1.00 16.41 C +ATOM 31 CD2 LEU A 4 21.296 23.781 -3.581 1.00 16.72 C +ATOM 32 N LYS A 5 21.646 18.753 -3.452 1.00 15.26 N +ATOM 33 CA LYS A 5 21.738 17.911 -2.264 1.00 14.53 C +ATOM 34 C LYS A 5 22.850 16.884 -2.432 1.00 13.75 C +ATOM 35 O LYS A 5 23.616 16.636 -1.506 1.00 13.41 O +ATOM 36 CB LYS A 5 20.416 17.185 -1.999 1.00 15.00 C +ATOM 37 CG LYS A 5 19.336 18.052 -1.373 1.00 15.64 C +ATOM 38 CD LYS A 5 18.171 17.196 -0.893 1.00 16.20 C +ATOM 39 CE LYS A 5 17.178 18.011 -0.084 1.00 16.53 C +ATOM 40 NZ LYS A 5 16.090 17.164 0.479 1.00 17.09 N +ATOM 41 N ALA A 6 22.931 16.290 -3.618 1.00 13.02 N +ATOM 42 CA ALA A 6 23.954 15.290 -3.899 1.00 12.52 C +ATOM 43 C ALA A 6 25.356 15.883 -3.796 1.00 12.04 C +ATOM 44 O ALA A 6 26.250 15.277 -3.204 1.00 11.96 O +ATOM 45 CB ALA A 6 23.738 14.698 -5.286 1.00 12.58 C +ATOM 46 N SER A 7 25.555 17.066 -4.372 1.00 11.47 N +ATOM 47 CA SER A 7 26.863 17.711 -4.324 1.00 10.97 C +ATOM 48 C SER A 7 27.209 18.125 -2.899 1.00 10.46 C +ATOM 49 O SER A 7 28.374 18.105 -2.508 1.00 10.09 O +ATOM 50 CB SER A 7 26.903 18.938 -5.246 1.00 11.25 C +ATOM 51 OG SER A 7 26.014 19.954 -4.817 1.00 12.06 O +ATOM 52 N SER A 8 26.196 18.486 -2.119 1.00 9.84 N +ATOM 53 CA SER A 8 26.418 18.904 -0.740 1.00 9.42 C +ATOM 54 C SER A 8 26.921 17.763 0.137 1.00 9.14 C +ATOM 55 O SER A 8 27.819 17.957 0.954 1.00 8.86 O +ATOM 56 CB SER A 8 25.134 19.490 -0.151 1.00 9.51 C +ATOM 57 OG SER A 8 24.778 20.678 -0.840 1.00 9.67 O +ATOM 58 N LEU A 9 26.350 16.573 -0.018 1.00 8.83 N +ATOM 59 CA LEU A 9 26.808 15.447 0.786 1.00 8.59 C +ATOM 60 C LEU A 9 28.223 15.080 0.351 1.00 8.47 C +ATOM 61 O LEU A 9 29.078 14.748 1.174 1.00 8.31 O +ATOM 62 CB LEU A 9 25.885 14.237 0.612 1.00 8.66 C +ATOM 63 CG LEU A 9 26.264 13.005 1.444 1.00 8.48 C +ATOM 64 CD1 LEU A 9 26.225 13.334 2.935 1.00 8.56 C +ATOM 65 CD2 LEU A 9 25.301 11.867 1.128 1.00 8.78 C +ATOM 66 N ARG A 10 28.467 15.151 -0.951 1.00 8.28 N +ATOM 67 CA ARG A 10 29.777 14.830 -1.495 1.00 8.22 C +ATOM 68 C ARG A 10 30.827 15.796 -0.950 1.00 7.80 C +ATOM 69 O ARG A 10 31.911 15.382 -0.534 1.00 7.64 O +ATOM 70 CB ARG A 10 29.737 14.913 -3.020 1.00 8.99 C +ATOM 71 CG ARG A 10 30.988 14.396 -3.695 1.00 9.92 C +ATOM 72 CD ARG A 10 30.940 14.625 -5.192 1.00 11.09 C +ATOM 73 NE ARG A 10 32.096 14.032 -5.851 1.00 12.26 N +ATOM 74 CZ ARG A 10 32.449 14.281 -7.107 1.00 12.83 C +ATOM 75 NH1 ARG A 10 31.733 15.117 -7.844 1.00 13.25 N +ATOM 76 NH2 ARG A 10 33.518 13.690 -7.623 1.00 13.48 N +ATOM 77 N ALA A 11 30.496 17.084 -0.950 1.00 7.39 N +ATOM 78 CA ALA A 11 31.402 18.113 -0.452 1.00 7.07 C +ATOM 79 C ALA A 11 31.665 17.944 1.043 1.00 6.84 C +ATOM 80 O ALA A 11 32.788 18.145 1.510 1.00 6.86 O +ATOM 81 CB ALA A 11 30.823 19.497 -0.728 1.00 7.06 C +ATOM 82 N LEU A 12 30.628 17.577 1.791 1.00 6.69 N +ATOM 83 CA LEU A 12 30.751 17.375 3.230 1.00 6.47 C +ATOM 84 C LEU A 12 31.800 16.303 3.515 1.00 6.37 C +ATOM 85 O LEU A 12 32.662 16.470 4.379 1.00 6.18 O +ATOM 86 CB LEU A 12 29.390 16.962 3.815 1.00 6.61 C +ATOM 87 CG LEU A 12 29.277 16.690 5.322 1.00 6.67 C +ATOM 88 CD1 LEU A 12 27.830 16.857 5.765 1.00 6.78 C +ATOM 89 CD2 LEU A 12 29.778 15.289 5.648 1.00 6.67 C +ATOM 90 N LYS A 13 31.730 15.208 2.768 1.00 6.41 N +ATOM 91 CA LYS A 13 32.658 14.102 2.949 1.00 6.68 C +ATOM 92 C LYS A 13 34.074 14.385 2.443 1.00 6.51 C +ATOM 93 O LYS A 13 34.990 13.594 2.674 1.00 6.72 O +ATOM 94 CB LYS A 13 32.088 12.844 2.289 1.00 7.27 C +ATOM 95 CG LYS A 13 30.814 12.354 2.974 1.00 7.91 C +ATOM 96 CD LYS A 13 30.278 11.076 2.356 1.00 8.87 C +ATOM 97 CE LYS A 13 29.075 10.570 3.139 1.00 9.25 C +ATOM 98 NZ LYS A 13 28.581 9.275 2.599 1.00 10.01 N +ATOM 99 N LEU A 14 34.250 15.518 1.768 1.00 6.44 N +ATOM 100 CA LEU A 14 35.555 15.921 1.247 1.00 6.14 C +ATOM 101 C LEU A 14 36.091 17.123 2.022 1.00 6.26 C +ATOM 102 O LEU A 14 37.135 17.674 1.682 1.00 5.91 O +ATOM 103 CB LEU A 14 35.448 16.296 -0.235 1.00 6.29 C +ATOM 104 CG LEU A 14 35.114 15.189 -1.234 1.00 6.46 C +ATOM 105 CD1 LEU A 14 34.897 15.801 -2.611 1.00 6.78 C +ATOM 106 CD2 LEU A 14 36.236 14.163 -1.261 1.00 6.53 C +ATOM 107 N MET A 15 35.383 17.528 3.067 1.00 6.13 N +ATOM 108 CA MET A 15 35.803 18.686 3.843 1.00 6.53 C +ATOM 109 C MET A 15 36.959 18.486 4.812 1.00 6.29 C +ATOM 110 O MET A 15 37.052 17.465 5.494 1.00 6.15 O +ATOM 111 CB MET A 15 34.628 19.247 4.659 1.00 7.57 C +ATOM 112 CG MET A 15 33.729 20.241 3.937 1.00 8.83 C +ATOM 113 SD MET A 15 32.572 21.057 5.073 1.00 10.70 S +ATOM 114 CE MET A 15 33.699 21.833 6.165 1.00 9.41 C +ATOM 115 N ASP A 16 37.852 19.470 4.833 1.00 5.94 N +ATOM 116 CA ASP A 16 38.936 19.516 5.806 1.00 5.71 C +ATOM 117 C ASP A 16 38.303 20.576 6.715 1.00 5.53 C +ATOM 118 O ASP A 16 38.476 21.774 6.484 1.00 5.78 O +ATOM 119 CB ASP A 16 40.233 20.065 5.195 1.00 5.94 C +ATOM 120 CG ASP A 16 41.118 18.979 4.596 1.00 5.88 C +ATOM 121 OD1 ASP A 16 40.659 17.825 4.469 1.00 6.14 O +ATOM 122 OD2 ASP A 16 42.282 19.286 4.247 1.00 5.94 O +ATOM 123 N LEU A 17 37.525 20.137 7.705 1.00 5.47 N +ATOM 124 CA LEU A 17 36.846 21.059 8.620 1.00 5.63 C +ATOM 125 C LEU A 17 37.911 21.826 9.387 1.00 5.66 C +ATOM 126 O LEU A 17 38.674 21.256 10.167 1.00 5.52 O +ATOM 127 CB LEU A 17 35.924 20.289 9.565 1.00 6.04 C +ATOM 128 CG LEU A 17 35.071 21.154 10.498 1.00 6.51 C +ATOM 129 CD1 LEU A 17 34.223 22.132 9.697 1.00 7.02 C +ATOM 130 CD2 LEU A 17 34.182 20.257 11.337 1.00 6.67 C +ATOM 131 N THR A 18 37.911 23.137 9.193 1.00 5.90 N +ATOM 132 CA THR A 18 38.947 23.998 9.734 1.00 6.42 C +ATOM 133 C THR A 18 38.674 25.029 10.820 1.00 6.79 C +ATOM 134 O THR A 18 37.605 25.628 10.886 1.00 7.10 O +ATOM 135 CB THR A 18 39.578 24.773 8.555 1.00 6.29 C +ATOM 136 OG1 THR A 18 39.928 23.853 7.517 1.00 6.48 O +ATOM 137 CG2 THR A 18 40.812 25.544 8.991 1.00 6.67 C +ATOM 138 N THR A 19 39.683 25.220 11.664 1.00 7.28 N +ATOM 139 CA THR A 19 39.678 26.262 12.678 1.00 7.75 C +ATOM 140 C THR A 19 41.148 26.630 12.840 1.00 7.81 C +ATOM 141 O THR A 19 41.978 25.805 13.232 1.00 7.62 O +ATOM 142 CB THR A 19 39.049 25.841 14.039 1.00 7.86 C +ATOM 143 OG1 THR A 19 38.889 27.019 14.847 1.00 9.24 O +ATOM 144 CG2 THR A 19 39.917 24.835 14.786 1.00 8.70 C +ATOM 145 N LEU A 20 41.467 27.862 12.458 1.00 8.46 N +ATOM 146 CA LEU A 20 42.824 28.388 12.535 1.00 9.21 C +ATOM 147 C LEU A 20 42.715 29.835 12.991 1.00 10.33 C +ATOM 148 O LEU A 20 43.042 30.759 12.250 1.00 10.89 O +ATOM 149 CB LEU A 20 43.496 28.318 11.158 1.00 8.87 C +ATOM 150 CG LEU A 20 43.723 26.917 10.577 1.00 8.44 C +ATOM 151 CD1 LEU A 20 44.128 27.018 9.114 1.00 8.43 C +ATOM 152 CD2 LEU A 20 44.797 26.197 11.381 1.00 8.35 C +ATOM 153 N ASN A 21 42.257 30.020 14.222 1.00 11.31 N +ATOM 154 CA ASN A 21 42.068 31.351 14.775 1.00 12.50 C +ATOM 155 C ASN A 21 43.061 31.638 15.886 1.00 13.11 C +ATOM 156 O ASN A 21 43.581 30.723 16.525 1.00 13.04 O +ATOM 157 CB ASN A 21 40.646 31.478 15.316 1.00 12.99 C +ATOM 158 CG ASN A 21 39.602 31.082 14.296 1.00 13.46 C +ATOM 159 OD1 ASN A 21 38.670 30.338 14.601 1.00 14.25 O +ATOM 160 ND2 ASN A 21 39.750 31.579 13.075 1.00 13.74 N +ATOM 161 N ASP A 22 43.309 32.920 16.122 1.00 13.99 N +ATOM 162 CA ASP A 22 44.244 33.327 17.156 1.00 14.89 C +ATOM 163 C ASP A 22 43.703 33.013 18.546 1.00 14.97 C +ATOM 164 O ASP A 22 44.467 32.929 19.506 1.00 15.38 O +ATOM 165 CB ASP A 22 44.539 34.823 17.042 1.00 15.80 C +ATOM 166 CG ASP A 22 45.106 35.201 15.691 1.00 16.67 C +ATOM 167 OD1 ASP A 22 46.038 34.511 15.225 1.00 17.35 O +ATOM 168 OD2 ASP A 22 44.625 36.188 15.097 1.00 17.60 O +ATOM 169 N ASP A 23 42.390 32.830 18.649 1.00 14.96 N +ATOM 170 CA ASP A 23 41.770 32.538 19.937 1.00 14.92 C +ATOM 171 C ASP A 23 41.379 31.071 20.091 1.00 14.53 C +ATOM 172 O ASP A 23 40.539 30.727 20.920 1.00 14.36 O +ATOM 173 CB ASP A 23 40.546 33.442 20.147 1.00 15.81 C +ATOM 174 CG ASP A 23 39.391 33.094 19.229 1.00 16.44 C +ATOM 175 OD1 ASP A 23 39.642 32.628 18.098 1.00 17.10 O +ATOM 176 OD2 ASP A 23 38.226 33.301 19.634 1.00 17.35 O +ATOM 177 N ASP A 24 41.999 30.203 19.297 1.00 13.84 N +ATOM 178 CA ASP A 24 41.707 28.778 19.382 1.00 13.52 C +ATOM 179 C ASP A 24 42.186 28.186 20.705 1.00 12.93 C +ATOM 180 O ASP A 24 43.186 28.625 21.277 1.00 12.71 O +ATOM 181 CB ASP A 24 42.355 28.031 18.214 1.00 13.95 C +ATOM 182 CG ASP A 24 41.339 27.563 17.194 1.00 14.69 C +ATOM 183 OD1 ASP A 24 40.576 28.409 16.684 1.00 14.75 O +ATOM 184 OD2 ASP A 24 41.303 26.344 16.905 1.00 15.69 O +ATOM 185 N THR A 25 41.461 27.180 21.182 1.00 12.40 N +ATOM 186 CA THR A 25 41.780 26.508 22.438 1.00 12.17 C +ATOM 187 C THR A 25 41.482 25.026 22.286 1.00 12.00 C +ATOM 188 O THR A 25 40.868 24.614 21.304 1.00 11.61 O +ATOM 189 CB THR A 25 40.910 27.028 23.590 1.00 12.24 C +ATOM 190 OG1 THR A 25 39.531 26.783 23.283 1.00 12.44 O +ATOM 191 CG2 THR A 25 41.131 28.518 23.803 1.00 12.54 C +ATOM 192 N ASP A 26 41.905 24.227 23.262 1.00 11.99 N +ATOM 193 CA ASP A 26 41.649 22.793 23.213 1.00 12.16 C +ATOM 194 C ASP A 26 40.141 22.570 23.161 1.00 12.32 C +ATOM 195 O ASP A 26 39.654 21.709 22.430 1.00 12.05 O +ATOM 196 CB ASP A 26 42.224 22.086 24.449 1.00 12.39 C +ATOM 197 CG ASP A 26 43.742 22.107 24.490 1.00 12.82 C +ATOM 198 OD1 ASP A 26 44.376 22.309 23.434 1.00 13.04 O +ATOM 199 OD2 ASP A 26 44.309 21.904 25.586 1.00 13.17 O +ATOM 200 N GLU A 27 39.405 23.361 23.939 1.00 12.39 N +ATOM 201 CA GLU A 27 37.951 23.256 23.986 1.00 12.67 C +ATOM 202 C GLU A 27 37.314 23.492 22.619 1.00 12.11 C +ATOM 203 O GLU A 27 36.417 22.755 22.205 1.00 11.95 O +ATOM 204 CB GLU A 27 37.383 24.260 24.996 1.00 13.74 C +ATOM 205 CG GLU A 27 35.865 24.371 24.975 1.00 15.61 C +ATOM 206 CD GLU A 27 35.331 25.371 25.987 1.00 16.55 C +ATOM 207 OE1 GLU A 27 35.743 26.551 25.940 1.00 17.47 O +ATOM 208 OE2 GLU A 27 34.495 24.975 26.828 1.00 17.63 O +ATOM 209 N LYS A 28 37.774 24.524 21.920 1.00 11.64 N +ATOM 210 CA LYS A 28 37.228 24.839 20.606 1.00 11.35 C +ATOM 211 C LYS A 28 37.568 23.761 19.587 1.00 10.66 C +ATOM 212 O LYS A 28 36.783 23.488 18.681 1.00 10.64 O +ATOM 213 CB LYS A 28 37.737 26.199 20.132 1.00 11.98 C +ATOM 214 CG LYS A 28 37.184 27.350 20.956 1.00 12.99 C +ATOM 215 CD LYS A 28 37.761 28.689 20.538 1.00 13.69 C +ATOM 216 CE LYS A 28 37.241 29.789 21.447 1.00 14.39 C +ATOM 217 NZ LYS A 28 37.818 31.117 21.121 1.00 15.20 N +ATOM 218 N VAL A 29 38.735 23.145 19.733 1.00 10.07 N +ATOM 219 CA VAL A 29 39.128 22.090 18.812 1.00 9.57 C +ATOM 220 C VAL A 29 38.304 20.836 19.093 1.00 9.50 C +ATOM 221 O VAL A 29 37.926 20.118 18.172 1.00 9.18 O +ATOM 222 CB VAL A 29 40.636 21.785 18.927 1.00 9.45 C +ATOM 223 CG1 VAL A 29 40.978 20.523 18.152 1.00 9.45 C +ATOM 224 CG2 VAL A 29 41.434 22.964 18.387 1.00 9.49 C +ATOM 225 N ILE A 30 38.019 20.580 20.368 1.00 9.40 N +ATOM 226 CA ILE A 30 37.215 19.421 20.738 1.00 9.44 C +ATOM 227 C ILE A 30 35.822 19.590 20.132 1.00 9.38 C +ATOM 228 O ILE A 30 35.227 18.634 19.631 1.00 9.38 O +ATOM 229 CB ILE A 30 37.124 19.288 22.276 1.00 9.59 C +ATOM 230 CG1 ILE A 30 38.500 18.905 22.826 1.00 9.92 C +ATOM 231 CG2 ILE A 30 36.069 18.256 22.663 1.00 9.99 C +ATOM 232 CD1 ILE A 30 38.601 18.932 24.337 1.00 10.03 C +ATOM 233 N ALA A 31 35.315 20.818 20.168 1.00 9.33 N +ATOM 234 CA ALA A 31 34.005 21.118 19.601 1.00 9.24 C +ATOM 235 C ALA A 31 34.043 20.895 18.091 1.00 9.24 C +ATOM 236 O ALA A 31 33.080 20.409 17.503 1.00 9.41 O +ATOM 237 CB ALA A 31 33.615 22.558 19.906 1.00 9.31 C +ATOM 238 N LEU A 32 35.163 21.248 17.466 1.00 9.01 N +ATOM 239 CA LEU A 32 35.309 21.074 16.026 1.00 9.04 C +ATOM 240 C LEU A 32 35.243 19.588 15.679 1.00 9.03 C +ATOM 241 O LEU A 32 34.602 19.195 14.702 1.00 8.83 O +ATOM 242 CB LEU A 32 36.644 21.653 15.552 1.00 9.36 C +ATOM 243 CG LEU A 32 36.791 21.751 14.031 1.00 9.68 C +ATOM 244 CD1 LEU A 32 35.905 22.876 13.512 1.00 10.32 C +ATOM 245 CD2 LEU A 32 38.242 22.010 13.661 1.00 9.85 C +ATOM 246 N CYS A 33 35.913 18.768 16.482 1.00 8.89 N +ATOM 247 CA CYS A 33 35.915 17.328 16.259 1.00 9.05 C +ATOM 248 C CYS A 33 34.495 16.782 16.331 1.00 9.16 C +ATOM 249 O CYS A 33 34.122 15.902 15.556 1.00 8.82 O +ATOM 250 CB CYS A 33 36.794 16.623 17.297 1.00 9.15 C +ATOM 251 SG CYS A 33 38.565 16.936 17.109 1.00 9.69 S +ATOM 252 N HIS A 34 33.706 17.300 17.268 1.00 9.64 N +ATOM 253 CA HIS A 34 32.326 16.853 17.417 1.00 10.27 C +ATOM 254 C HIS A 34 31.509 17.261 16.193 1.00 10.31 C +ATOM 255 O HIS A 34 30.656 16.509 15.727 1.00 10.23 O +ATOM 256 CB HIS A 34 31.711 17.454 18.685 1.00 11.02 C +ATOM 257 CG HIS A 34 32.350 16.974 19.952 1.00 12.13 C +ATOM 258 ND1 HIS A 34 32.121 17.570 21.173 1.00 12.79 N +ATOM 259 CD2 HIS A 34 33.210 15.954 20.187 1.00 12.38 C +ATOM 260 CE1 HIS A 34 32.811 16.939 22.106 1.00 12.76 C +ATOM 261 NE2 HIS A 34 33.480 15.954 21.535 1.00 12.89 N +ATOM 262 N GLN A 35 31.787 18.452 15.673 1.00 10.40 N +ATOM 263 CA GLN A 35 31.086 18.962 14.501 1.00 10.60 C +ATOM 264 C GLN A 35 31.401 18.142 13.245 1.00 10.10 C +ATOM 265 O GLN A 35 30.554 17.999 12.361 1.00 9.87 O +ATOM 266 CB GLN A 35 31.453 20.435 14.274 1.00 11.70 C +ATOM 267 CG GLN A 35 30.858 21.044 13.014 1.00 13.49 C +ATOM 268 CD GLN A 35 31.169 22.526 12.861 1.00 14.27 C +ATOM 269 OE1 GLN A 35 32.246 22.992 13.241 1.00 15.40 O +ATOM 270 NE2 GLN A 35 30.231 23.270 12.283 1.00 15.03 N +ATOM 271 N ALA A 36 32.613 17.597 13.175 1.00 9.63 N +ATOM 272 CA ALA A 36 33.042 16.802 12.027 1.00 9.52 C +ATOM 273 C ALA A 36 32.267 15.491 11.883 1.00 9.57 C +ATOM 274 O ALA A 36 32.256 14.877 10.816 1.00 9.11 O +ATOM 275 CB ALA A 36 34.534 16.517 12.129 1.00 9.26 C +ATOM 276 N LYS A 37 31.634 15.065 12.971 1.00 9.87 N +ATOM 277 CA LYS A 37 30.837 13.839 12.996 1.00 10.33 C +ATOM 278 C LYS A 37 29.381 14.274 12.843 1.00 10.52 C +ATOM 279 O LYS A 37 28.704 14.557 13.832 1.00 10.50 O +ATOM 280 CB LYS A 37 31.041 13.124 14.339 1.00 10.67 C +ATOM 281 CG LYS A 37 30.360 11.768 14.465 1.00 11.20 C +ATOM 282 CD LYS A 37 30.507 11.217 15.879 1.00 12.02 C +ATOM 283 CE LYS A 37 29.833 9.858 16.023 1.00 12.59 C +ATOM 284 NZ LYS A 37 29.864 9.361 17.429 1.00 13.24 N +ATOM 285 N THR A 38 28.902 14.331 11.603 1.00 10.82 N +ATOM 286 CA THR A 38 27.536 14.774 11.338 1.00 11.33 C +ATOM 287 C THR A 38 26.544 13.622 11.202 1.00 11.65 C +ATOM 288 O THR A 38 26.933 12.470 11.035 1.00 11.60 O +ATOM 289 CB THR A 38 27.466 15.646 10.056 1.00 11.29 C +ATOM 290 OG1 THR A 38 27.224 14.816 8.913 1.00 10.85 O +ATOM 291 CG2 THR A 38 28.773 16.391 9.852 1.00 11.38 C +ATOM 292 N PRO A 39 25.238 13.927 11.269 1.00 12.09 N +ATOM 293 CA PRO A 39 24.218 12.884 11.149 1.00 12.11 C +ATOM 294 C PRO A 39 24.154 12.187 9.788 1.00 11.87 C +ATOM 295 O PRO A 39 23.562 11.113 9.670 1.00 12.37 O +ATOM 296 CB PRO A 39 22.925 13.628 11.490 1.00 12.48 C +ATOM 297 CG PRO A 39 23.205 15.016 11.016 1.00 12.75 C +ATOM 298 CD PRO A 39 24.613 15.239 11.515 1.00 12.50 C +ATOM 299 N VAL A 40 24.766 12.781 8.766 1.00 11.28 N +ATOM 300 CA VAL A 40 24.742 12.182 7.431 1.00 10.69 C +ATOM 301 C VAL A 40 26.109 11.702 6.952 1.00 10.22 C +ATOM 302 O VAL A 40 26.245 11.235 5.821 1.00 10.17 O +ATOM 303 CB VAL A 40 24.174 13.163 6.379 1.00 10.68 C +ATOM 304 CG1 VAL A 40 22.760 13.575 6.763 1.00 10.72 C +ATOM 305 CG2 VAL A 40 25.078 14.375 6.248 1.00 10.78 C +ATOM 306 N GLY A 41 27.117 11.816 7.811 1.00 9.59 N +ATOM 307 CA GLY A 41 28.451 11.381 7.441 1.00 9.04 C +ATOM 308 C GLY A 41 29.535 12.164 8.153 1.00 8.48 C +ATOM 309 O GLY A 41 29.249 13.126 8.863 1.00 8.67 O +ATOM 310 N ASN A 42 30.782 11.745 7.966 1.00 8.28 N +ATOM 311 CA ASN A 42 31.915 12.417 8.594 1.00 7.99 C +ATOM 312 C ASN A 42 32.724 13.170 7.555 1.00 7.68 C +ATOM 313 O ASN A 42 32.816 12.745 6.403 1.00 7.73 O +ATOM 314 CB ASN A 42 32.830 11.399 9.283 1.00 8.74 C +ATOM 315 CG ASN A 42 32.117 10.598 10.349 1.00 8.98 C +ATOM 316 OD1 ASN A 42 31.362 11.148 11.148 1.00 9.58 O +ATOM 317 ND2 ASN A 42 32.364 9.294 10.376 1.00 10.30 N +ATOM 318 N THR A 43 33.312 14.291 7.959 1.00 7.17 N +ATOM 319 CA THR A 43 34.145 15.053 7.040 1.00 6.86 C +ATOM 320 C THR A 43 35.399 14.212 6.784 1.00 6.78 C +ATOM 321 O THR A 43 35.671 13.254 7.513 1.00 7.00 O +ATOM 322 CB THR A 43 34.542 16.431 7.629 1.00 6.71 C +ATOM 323 OG1 THR A 43 35.263 16.252 8.856 1.00 6.54 O +ATOM 324 CG2 THR A 43 33.300 17.270 7.898 1.00 6.76 C +ATOM 325 N ALA A 44 36.150 14.550 5.743 1.00 6.62 N +ATOM 326 CA ALA A 44 37.358 13.803 5.410 1.00 6.36 C +ATOM 327 C ALA A 44 38.432 14.007 6.468 1.00 6.17 C +ATOM 328 O ALA A 44 39.190 13.089 6.794 1.00 5.96 O +ATOM 329 CB ALA A 44 37.882 14.241 4.050 1.00 6.32 C +ATOM 330 N ALA A 45 38.484 15.214 7.014 1.00 6.05 N +ATOM 331 CA ALA A 45 39.486 15.541 8.012 1.00 6.06 C +ATOM 332 C ALA A 45 39.134 16.833 8.715 1.00 6.09 C +ATOM 333 O ALA A 45 38.091 17.436 8.467 1.00 6.15 O +ATOM 334 CB ALA A 45 40.847 15.700 7.326 1.00 6.66 C +ATOM 335 N ILE A 46 40.015 17.226 9.627 1.00 6.00 N +ATOM 336 CA ILE A 46 39.902 18.498 10.312 1.00 5.98 C +ATOM 337 C ILE A 46 41.258 19.131 10.016 1.00 5.78 C +ATOM 338 O ILE A 46 42.213 18.422 9.693 1.00 5.94 O +ATOM 339 CB ILE A 46 39.709 18.367 11.850 1.00 6.40 C +ATOM 340 CG1 ILE A 46 40.833 17.538 12.476 1.00 6.92 C +ATOM 341 CG2 ILE A 46 38.341 17.785 12.148 1.00 6.51 C +ATOM 342 CD1 ILE A 46 40.816 17.552 13.999 1.00 7.69 C +ATOM 343 N CYS A 47 41.330 20.456 10.074 1.00 5.49 N +ATOM 344 CA CYS A 47 42.582 21.164 9.843 1.00 5.51 C +ATOM 345 C CYS A 47 42.705 22.139 10.996 1.00 5.21 C +ATOM 346 O CYS A 47 41.852 23.009 11.182 1.00 5.41 O +ATOM 347 CB CYS A 47 42.558 21.907 8.507 1.00 5.53 C +ATOM 348 SG CYS A 47 44.132 22.689 8.090 1.00 7.04 S +ATOM 349 N ILE A 48 43.775 21.982 11.764 1.00 5.06 N +ATOM 350 CA ILE A 48 43.999 22.791 12.954 1.00 4.93 C +ATOM 351 C ILE A 48 45.478 23.119 13.114 1.00 4.85 C +ATOM 352 O ILE A 48 46.319 22.570 12.407 1.00 4.71 O +ATOM 353 CB ILE A 48 43.543 22.004 14.200 1.00 5.27 C +ATOM 354 CG1 ILE A 48 44.278 20.657 14.249 1.00 5.65 C +ATOM 355 CG2 ILE A 48 42.036 21.782 14.155 1.00 5.59 C +ATOM 356 CD1 ILE A 48 43.898 19.769 15.417 1.00 5.99 C +ATOM 357 N TYR A 49 45.798 24.011 14.046 1.00 4.86 N +ATOM 358 CA TYR A 49 47.198 24.336 14.286 1.00 4.97 C +ATOM 359 C TYR A 49 47.872 23.110 14.910 1.00 5.20 C +ATOM 360 O TYR A 49 47.241 22.345 15.642 1.00 4.87 O +ATOM 361 CB TYR A 49 47.324 25.563 15.195 1.00 5.16 C +ATOM 362 CG TYR A 49 47.080 26.869 14.465 1.00 5.10 C +ATOM 363 CD1 TYR A 49 47.833 27.208 13.340 1.00 5.49 C +ATOM 364 CD2 TYR A 49 46.109 27.771 14.900 1.00 5.44 C +ATOM 365 CE1 TYR A 49 47.629 28.407 12.669 1.00 5.32 C +ATOM 366 CE2 TYR A 49 45.897 28.977 14.232 1.00 5.51 C +ATOM 367 CZ TYR A 49 46.661 29.285 13.119 1.00 5.60 C +ATOM 368 OH TYR A 49 46.463 30.473 12.450 1.00 6.47 O +ATOM 369 N PRO A 50 49.168 22.913 14.634 1.00 5.35 N +ATOM 370 CA PRO A 50 49.938 21.774 15.145 1.00 5.45 C +ATOM 371 C PRO A 50 49.783 21.398 16.617 1.00 5.28 C +ATOM 372 O PRO A 50 49.614 20.221 16.947 1.00 4.82 O +ATOM 373 CB PRO A 50 51.376 22.151 14.802 1.00 5.75 C +ATOM 374 CG PRO A 50 51.229 22.954 13.554 1.00 5.83 C +ATOM 375 CD PRO A 50 50.036 23.827 13.867 1.00 5.48 C +ATOM 376 N ARG A 51 49.834 22.389 17.499 1.00 5.10 N +ATOM 377 CA ARG A 51 49.742 22.123 18.928 1.00 5.18 C +ATOM 378 C ARG A 51 48.458 21.437 19.387 1.00 5.26 C +ATOM 379 O ARG A 51 48.423 20.847 20.467 1.00 5.53 O +ATOM 380 CB ARG A 51 49.944 23.420 19.718 1.00 5.38 C +ATOM 381 CG ARG A 51 48.859 24.473 19.531 1.00 5.89 C +ATOM 382 CD ARG A 51 49.248 25.736 20.285 1.00 6.57 C +ATOM 383 NE ARG A 51 48.268 26.814 20.179 1.00 7.09 N +ATOM 384 CZ ARG A 51 48.082 27.572 19.102 1.00 7.36 C +ATOM 385 NH1 ARG A 51 48.806 27.379 18.006 1.00 7.63 N +ATOM 386 NH2 ARG A 51 47.178 28.545 19.131 1.00 8.08 N +ATOM 387 N PHE A 52 47.413 21.492 18.571 1.00 5.23 N +ATOM 388 CA PHE A 52 46.142 20.876 18.946 1.00 5.38 C +ATOM 389 C PHE A 52 45.963 19.450 18.437 1.00 5.40 C +ATOM 390 O PHE A 52 44.954 18.810 18.728 1.00 5.49 O +ATOM 391 CB PHE A 52 44.981 21.739 18.445 1.00 5.61 C +ATOM 392 CG PHE A 52 44.969 23.128 19.018 1.00 5.71 C +ATOM 393 CD1 PHE A 52 44.781 23.331 20.383 1.00 6.12 C +ATOM 394 CD2 PHE A 52 45.166 24.236 18.198 1.00 5.86 C +ATOM 395 CE1 PHE A 52 44.790 24.616 20.925 1.00 5.85 C +ATOM 396 CE2 PHE A 52 45.178 25.523 18.729 1.00 5.91 C +ATOM 397 CZ PHE A 52 44.989 25.713 20.095 1.00 5.99 C +ATOM 398 N ILE A 53 46.943 18.940 17.700 1.00 5.40 N +ATOM 399 CA ILE A 53 46.835 17.596 17.148 1.00 5.70 C +ATOM 400 C ILE A 53 46.662 16.466 18.170 1.00 5.86 C +ATOM 401 O ILE A 53 45.772 15.637 18.020 1.00 5.98 O +ATOM 402 CB ILE A 53 48.035 17.285 16.220 1.00 5.46 C +ATOM 403 CG1 ILE A 53 47.993 18.208 14.995 1.00 5.61 C +ATOM 404 CG2 ILE A 53 47.987 15.830 15.766 1.00 5.65 C +ATOM 405 CD1 ILE A 53 49.220 18.093 14.102 1.00 5.60 C +ATOM 406 N PRO A 54 47.489 16.420 19.230 1.00 6.09 N +ATOM 407 CA PRO A 54 47.330 15.336 20.209 1.00 6.54 C +ATOM 408 C PRO A 54 45.935 15.219 20.820 1.00 6.79 C +ATOM 409 O PRO A 54 45.355 14.132 20.848 1.00 7.00 O +ATOM 410 CB PRO A 54 48.397 15.656 21.251 1.00 6.47 C +ATOM 411 CG PRO A 54 49.472 16.310 20.433 1.00 6.31 C +ATOM 412 CD PRO A 54 48.668 17.242 19.555 1.00 6.25 C +ATOM 413 N ILE A 55 45.388 16.328 21.304 1.00 7.10 N +ATOM 414 CA ILE A 55 44.062 16.285 21.908 1.00 7.42 C +ATOM 415 C ILE A 55 42.983 16.003 20.861 1.00 7.20 C +ATOM 416 O ILE A 55 41.976 15.359 21.159 1.00 7.32 O +ATOM 417 CB ILE A 55 43.738 17.599 22.670 1.00 7.84 C +ATOM 418 CG1 ILE A 55 42.431 17.433 23.450 1.00 8.38 C +ATOM 419 CG2 ILE A 55 43.653 18.771 21.704 1.00 8.37 C +ATOM 420 CD1 ILE A 55 42.483 16.342 24.501 1.00 9.15 C +ATOM 421 N ALA A 56 43.191 16.477 19.637 1.00 6.97 N +ATOM 422 CA ALA A 56 42.224 16.232 18.570 1.00 6.84 C +ATOM 423 C ALA A 56 42.180 14.736 18.255 1.00 6.89 C +ATOM 424 O ALA A 56 41.105 14.161 18.073 1.00 6.79 O +ATOM 425 CB ALA A 56 42.601 17.025 17.312 1.00 6.80 C +ATOM 426 N ARG A 57 43.350 14.108 18.192 1.00 6.96 N +ATOM 427 CA ARG A 57 43.421 12.685 17.900 1.00 7.37 C +ATOM 428 C ARG A 57 42.643 11.902 18.951 1.00 7.61 C +ATOM 429 O ARG A 57 41.864 11.006 18.622 1.00 7.56 O +ATOM 430 CB ARG A 57 44.875 12.207 17.884 1.00 7.15 C +ATOM 431 CG ARG A 57 45.016 10.742 17.491 1.00 7.22 C +ATOM 432 CD ARG A 57 44.721 10.533 16.010 1.00 7.11 C +ATOM 433 NE ARG A 57 45.853 10.938 15.179 1.00 7.37 N +ATOM 434 CZ ARG A 57 45.815 11.054 13.855 1.00 7.33 C +ATOM 435 NH1 ARG A 57 44.693 10.807 13.184 1.00 7.46 N +ATOM 436 NH2 ARG A 57 46.911 11.399 13.196 1.00 7.91 N +ATOM 437 N LYS A 58 42.852 12.250 20.216 1.00 8.27 N +ATOM 438 CA LYS A 58 42.173 11.582 21.320 1.00 8.90 C +ATOM 439 C LYS A 58 40.663 11.774 21.232 1.00 8.79 C +ATOM 440 O LYS A 58 39.896 10.836 21.444 1.00 8.80 O +ATOM 441 CB LYS A 58 42.689 12.129 22.653 1.00 9.55 C +ATOM 442 CG LYS A 58 42.034 11.519 23.889 1.00 10.94 C +ATOM 443 CD LYS A 58 42.559 12.173 25.165 1.00 12.08 C +ATOM 444 CE LYS A 58 41.818 11.666 26.393 1.00 13.25 C +ATOM 445 NZ LYS A 58 42.294 12.325 27.644 1.00 14.18 N +ATOM 446 N THR A 59 40.241 12.992 20.915 1.00 8.69 N +ATOM 447 CA THR A 59 38.823 13.309 20.810 1.00 8.82 C +ATOM 448 C THR A 59 38.149 12.540 19.677 1.00 8.87 C +ATOM 449 O THR A 59 37.046 12.018 19.844 1.00 8.94 O +ATOM 450 CB THR A 59 38.623 14.818 20.595 1.00 8.78 C +ATOM 451 OG1 THR A 59 39.270 15.533 21.654 1.00 8.97 O +ATOM 452 CG2 THR A 59 37.144 15.169 20.587 1.00 8.94 C +ATOM 453 N LEU A 60 38.808 12.475 18.525 1.00 9.10 N +ATOM 454 CA LEU A 60 38.258 11.755 17.384 1.00 9.30 C +ATOM 455 C LEU A 60 38.153 10.270 17.702 1.00 9.83 C +ATOM 456 O LEU A 60 37.176 9.612 17.338 1.00 9.83 O +ATOM 457 CB LEU A 60 39.138 11.970 16.150 1.00 8.73 C +ATOM 458 CG LEU A 60 39.127 13.400 15.605 1.00 8.26 C +ATOM 459 CD1 LEU A 60 40.174 13.535 14.510 1.00 8.26 C +ATOM 460 CD2 LEU A 60 37.738 13.745 15.079 1.00 8.19 C +ATOM 461 N LYS A 61 39.157 9.744 18.393 1.00 10.42 N +ATOM 462 CA LYS A 61 39.158 8.334 18.756 1.00 11.21 C +ATOM 463 C LYS A 61 38.037 7.984 19.727 1.00 11.54 C +ATOM 464 O LYS A 61 37.335 6.989 19.537 1.00 11.45 O +ATOM 465 CB LYS A 61 40.498 7.943 19.380 1.00 11.59 C +ATOM 466 CG LYS A 61 40.505 6.524 19.931 1.00 12.40 C +ATOM 467 CD LYS A 61 41.836 6.162 20.554 1.00 13.36 C +ATOM 468 CE LYS A 61 41.793 4.742 21.094 1.00 14.03 C +ATOM 469 NZ LYS A 61 43.101 4.326 21.666 1.00 14.77 N +ATOM 470 N GLU A 62 37.865 8.796 20.765 1.00 11.96 N +ATOM 471 CA GLU A 62 36.838 8.520 21.762 1.00 12.58 C +ATOM 472 C GLU A 62 35.413 8.631 21.237 1.00 12.60 C +ATOM 473 O GLU A 62 34.509 7.989 21.772 1.00 13.04 O +ATOM 474 CB GLU A 62 37.021 9.424 22.989 1.00 13.12 C +ATOM 475 CG GLU A 62 38.355 9.220 23.699 1.00 14.24 C +ATOM 476 CD GLU A 62 38.443 9.948 25.032 1.00 14.68 C +ATOM 477 OE1 GLU A 62 37.936 11.085 25.137 1.00 15.56 O +ATOM 478 OE2 GLU A 62 39.036 9.386 25.975 1.00 15.87 O +ATOM 479 N GLN A 63 35.204 9.427 20.190 1.00 12.18 N +ATOM 480 CA GLN A 63 33.863 9.577 19.635 1.00 11.93 C +ATOM 481 C GLN A 63 33.602 8.555 18.529 1.00 11.87 C +ATOM 482 O GLN A 63 32.572 8.600 17.852 1.00 11.93 O +ATOM 483 CB GLN A 63 33.646 11.002 19.106 1.00 11.71 C +ATOM 484 CG GLN A 63 34.369 11.333 17.810 1.00 11.36 C +ATOM 485 CD GLN A 63 34.049 12.734 17.312 1.00 11.28 C +ATOM 486 OE1 GLN A 63 34.376 13.097 16.180 1.00 11.01 O +ATOM 487 NE2 GLN A 63 33.410 13.529 18.159 1.00 10.77 N +ATOM 488 N GLY A 64 34.546 7.637 18.346 1.00 11.74 N +ATOM 489 CA GLY A 64 34.391 6.598 17.344 1.00 11.73 C +ATOM 490 C GLY A 64 34.589 6.989 15.891 1.00 11.61 C +ATOM 491 O GLY A 64 34.014 6.363 14.998 1.00 12.05 O +ATOM 492 N THR A 65 35.395 8.016 15.641 1.00 11.20 N +ATOM 493 CA THR A 65 35.661 8.442 14.270 1.00 10.81 C +ATOM 494 C THR A 65 37.162 8.600 14.040 1.00 10.88 C +ATOM 495 O THR A 65 37.633 9.672 13.652 1.00 10.57 O +ATOM 496 CB THR A 65 34.964 9.782 13.940 1.00 10.69 C +ATOM 497 OG1 THR A 65 35.460 10.810 14.806 1.00 10.12 O +ATOM 498 CG2 THR A 65 33.458 9.658 14.108 1.00 10.74 C +ATOM 499 N PRO A 66 37.937 7.530 14.278 1.00 10.90 N +ATOM 500 CA PRO A 66 39.387 7.593 14.083 1.00 11.08 C +ATOM 501 C PRO A 66 39.784 7.739 12.618 1.00 11.02 C +ATOM 502 O PRO A 66 40.936 8.058 12.310 1.00 11.19 O +ATOM 503 CB PRO A 66 39.870 6.280 14.691 1.00 11.23 C +ATOM 504 CG PRO A 66 38.732 5.352 14.405 1.00 11.32 C +ATOM 505 CD PRO A 66 37.531 6.195 14.754 1.00 11.13 C +ATOM 506 N GLU A 67 38.831 7.515 11.717 1.00 11.03 N +ATOM 507 CA GLU A 67 39.104 7.620 10.288 1.00 11.00 C +ATOM 508 C GLU A 67 39.113 9.065 9.798 1.00 10.43 C +ATOM 509 O GLU A 67 39.454 9.332 8.644 1.00 10.53 O +ATOM 510 CB GLU A 67 38.084 6.813 9.473 1.00 11.82 C +ATOM 511 CG GLU A 67 36.666 7.354 9.535 1.00 13.14 C +ATOM 512 CD GLU A 67 35.831 6.696 10.614 1.00 13.89 C +ATOM 513 OE1 GLU A 67 36.342 6.504 11.736 1.00 14.47 O +ATOM 514 OE2 GLU A 67 34.655 6.375 10.340 1.00 14.83 O +ATOM 515 N ILE A 68 38.714 9.998 10.657 1.00 9.65 N +ATOM 516 CA ILE A 68 38.739 11.405 10.271 1.00 9.01 C +ATOM 517 C ILE A 68 40.200 11.834 10.398 1.00 8.67 C +ATOM 518 O ILE A 68 40.777 11.776 11.485 1.00 8.74 O +ATOM 519 CB ILE A 68 37.841 12.267 11.189 1.00 8.78 C +ATOM 520 CG1 ILE A 68 36.370 11.866 10.995 1.00 8.68 C +ATOM 521 CG2 ILE A 68 38.041 13.752 10.873 1.00 8.50 C +ATOM 522 CD1 ILE A 68 35.381 12.676 11.811 1.00 8.67 C +ATOM 523 N ARG A 69 40.800 12.240 9.282 1.00 8.03 N +ATOM 524 CA ARG A 69 42.206 12.643 9.275 1.00 7.76 C +ATOM 525 C ARG A 69 42.486 13.975 9.951 1.00 6.97 C +ATOM 526 O ARG A 69 41.598 14.810 10.118 1.00 6.65 O +ATOM 527 CB ARG A 69 42.745 12.728 7.844 1.00 8.60 C +ATOM 528 CG ARG A 69 42.758 11.426 7.068 1.00 10.35 C +ATOM 529 CD ARG A 69 41.408 11.140 6.486 1.00 11.85 C +ATOM 530 NE ARG A 69 41.499 10.375 5.248 1.00 13.03 N +ATOM 531 CZ ARG A 69 40.490 10.241 4.397 1.00 12.72 C +ATOM 532 NH1 ARG A 69 39.331 10.824 4.664 1.00 12.83 N +ATOM 533 NH2 ARG A 69 40.635 9.526 3.289 1.00 13.01 N +ATOM 534 N ILE A 70 43.742 14.171 10.330 1.00 6.34 N +ATOM 535 CA ILE A 70 44.135 15.420 10.953 1.00 5.82 C +ATOM 536 C ILE A 70 45.182 16.113 10.103 1.00 5.49 C +ATOM 537 O ILE A 70 46.305 15.627 9.949 1.00 5.55 O +ATOM 538 CB ILE A 70 44.705 15.205 12.365 1.00 5.87 C +ATOM 539 CG1 ILE A 70 43.656 14.513 13.236 1.00 6.17 C +ATOM 540 CG2 ILE A 70 45.086 16.553 12.981 1.00 6.13 C +ATOM 541 CD1 ILE A 70 44.113 14.231 14.654 1.00 6.51 C +ATOM 542 N ALA A 71 44.786 17.240 9.528 1.00 5.06 N +ATOM 543 CA ALA A 71 45.674 18.045 8.711 1.00 4.85 C +ATOM 544 C ALA A 71 46.065 19.261 9.537 1.00 4.81 C +ATOM 545 O ALA A 71 45.365 19.645 10.481 1.00 4.74 O +ATOM 546 CB ALA A 71 44.963 18.486 7.430 1.00 5.13 C +ATOM 547 N THR A 72 47.188 19.864 9.181 1.00 4.77 N +ATOM 548 CA THR A 72 47.656 21.039 9.882 1.00 4.72 C +ATOM 549 C THR A 72 48.376 21.950 8.891 1.00 4.75 C +ATOM 550 O THR A 72 48.458 21.638 7.700 1.00 5.15 O +ATOM 551 CB THR A 72 48.576 20.640 11.062 1.00 4.97 C +ATOM 552 OG1 THR A 72 48.830 21.791 11.873 1.00 4.68 O +ATOM 553 CG2 THR A 72 49.896 20.058 10.560 1.00 4.82 C +ATOM 554 N VAL A 73 48.883 23.078 9.374 1.00 4.91 N +ATOM 555 CA VAL A 73 49.565 24.032 8.506 1.00 4.84 C +ATOM 556 C VAL A 73 50.950 24.417 9.020 1.00 4.65 C +ATOM 557 O VAL A 73 51.166 24.482 10.228 1.00 4.81 O +ATOM 558 CB VAL A 73 48.725 25.324 8.346 1.00 5.10 C +ATOM 559 CG1 VAL A 73 47.410 25.007 7.654 1.00 5.42 C +ATOM 560 CG2 VAL A 73 48.455 25.945 9.710 1.00 5.26 C +ATOM 561 N THR A 74 51.884 24.649 8.096 1.00 4.39 N +ATOM 562 CA THR A 74 53.242 25.074 8.452 1.00 4.28 C +ATOM 563 C THR A 74 53.725 26.177 7.502 1.00 4.41 C +ATOM 564 O THR A 74 53.176 26.343 6.405 1.00 4.45 O +ATOM 565 CB THR A 74 54.251 23.900 8.452 1.00 4.18 C +ATOM 566 OG1 THR A 74 54.299 23.290 7.159 1.00 4.17 O +ATOM 567 CG2 THR A 74 53.862 22.868 9.505 1.00 4.34 C +ATOM 568 N ASN A 75 54.751 26.915 7.932 1.00 4.78 N +ATOM 569 CA ASN A 75 55.303 28.063 7.192 1.00 4.54 C +ATOM 570 C ASN A 75 54.100 28.957 6.912 1.00 4.72 C +ATOM 571 O ASN A 75 54.029 29.648 5.902 1.00 4.61 O +ATOM 572 CB ASN A 75 55.964 27.625 5.876 1.00 4.73 C +ATOM 573 CG ASN A 75 56.961 28.651 5.371 1.00 4.59 C +ATOM 574 OD1 ASN A 75 57.689 29.243 6.167 1.00 4.96 O +ATOM 575 ND2 ASN A 75 57.010 28.859 4.057 1.00 4.42 N +ATOM 576 N PHE A 76 53.187 28.956 7.874 1.00 4.92 N +ATOM 577 CA PHE A 76 51.896 29.622 7.785 1.00 5.11 C +ATOM 578 C PHE A 76 51.707 30.864 8.656 1.00 5.38 C +ATOM 579 O PHE A 76 52.168 30.913 9.790 1.00 5.77 O +ATOM 580 CB PHE A 76 50.865 28.541 8.131 1.00 5.07 C +ATOM 581 CG PHE A 76 49.432 28.957 7.992 1.00 4.89 C +ATOM 582 CD1 PHE A 76 48.784 29.641 9.014 1.00 4.98 C +ATOM 583 CD2 PHE A 76 48.706 28.581 6.867 1.00 4.69 C +ATOM 584 CE1 PHE A 76 47.430 29.938 8.924 1.00 5.21 C +ATOM 585 CE2 PHE A 76 47.352 28.872 6.766 1.00 5.06 C +ATOM 586 CZ PHE A 76 46.711 29.550 7.796 1.00 5.06 C +ATOM 587 N PRO A 77 51.021 31.894 8.130 1.00 5.68 N +ATOM 588 CA PRO A 77 50.419 31.980 6.795 1.00 5.73 C +ATOM 589 C PRO A 77 51.340 32.745 5.851 1.00 5.81 C +ATOM 590 O PRO A 77 51.054 32.885 4.662 1.00 5.75 O +ATOM 591 CB PRO A 77 49.136 32.751 7.063 1.00 6.05 C +ATOM 592 CG PRO A 77 49.603 33.765 8.066 1.00 6.01 C +ATOM 593 CD PRO A 77 50.463 32.934 9.016 1.00 5.99 C +ATOM 594 N HIS A 78 52.452 33.211 6.404 1.00 5.66 N +ATOM 595 CA HIS A 78 53.430 34.027 5.694 1.00 5.85 C +ATOM 596 C HIS A 78 54.072 33.502 4.416 1.00 5.79 C +ATOM 597 O HIS A 78 54.300 34.273 3.486 1.00 6.05 O +ATOM 598 CB HIS A 78 54.538 34.442 6.667 1.00 6.16 C +ATOM 599 CG HIS A 78 55.177 33.289 7.381 1.00 6.38 C +ATOM 600 ND1 HIS A 78 54.902 32.980 8.697 1.00 7.18 N +ATOM 601 CD2 HIS A 78 56.060 32.356 6.953 1.00 6.28 C +ATOM 602 CE1 HIS A 78 55.590 31.908 9.047 1.00 6.76 C +ATOM 603 NE2 HIS A 78 56.300 31.509 8.007 1.00 7.53 N +ATOM 604 N GLY A 79 54.380 32.212 4.358 1.00 5.76 N +ATOM 605 CA GLY A 79 55.029 31.691 3.169 1.00 5.68 C +ATOM 606 C GLY A 79 56.424 32.282 3.021 1.00 5.76 C +ATOM 607 O GLY A 79 56.850 32.620 1.912 1.00 5.50 O +ATOM 608 N ASN A 80 57.136 32.429 4.137 1.00 5.89 N +ATOM 609 CA ASN A 80 58.490 32.974 4.094 1.00 6.04 C +ATOM 610 C ASN A 80 59.401 32.017 3.325 1.00 6.23 C +ATOM 611 O ASN A 80 59.068 30.842 3.129 1.00 6.09 O +ATOM 612 CB ASN A 80 59.031 33.217 5.512 1.00 6.36 C +ATOM 613 CG ASN A 80 58.342 34.380 6.212 1.00 6.62 C +ATOM 614 OD1 ASN A 80 57.723 35.232 5.569 1.00 7.05 O +ATOM 615 ND2 ASN A 80 58.461 34.429 7.535 1.00 6.95 N +ATOM 616 N ASP A 81 60.556 32.518 2.898 1.00 6.75 N +ATOM 617 CA ASP A 81 61.487 31.716 2.114 1.00 7.28 C +ATOM 618 C ASP A 81 62.602 31.028 2.889 1.00 7.20 C +ATOM 619 O ASP A 81 63.618 30.655 2.301 1.00 7.42 O +ATOM 620 CB ASP A 81 62.113 32.569 1.005 1.00 8.29 C +ATOM 621 CG ASP A 81 62.840 33.781 1.543 1.00 9.47 C +ATOM 622 OD1 ASP A 81 63.332 33.728 2.691 1.00 10.37 O +ATOM 623 OD2 ASP A 81 62.935 34.787 0.805 1.00 11.10 O +ATOM 624 N ASP A 82 62.429 30.863 4.197 1.00 6.94 N +ATOM 625 CA ASP A 82 63.449 30.195 4.998 1.00 6.75 C +ATOM 626 C ASP A 82 63.115 28.702 5.048 1.00 6.43 C +ATOM 627 O ASP A 82 62.201 28.276 5.753 1.00 6.23 O +ATOM 628 CB ASP A 82 63.490 30.779 6.411 1.00 7.13 C +ATOM 629 CG ASP A 82 64.669 30.269 7.214 1.00 7.43 C +ATOM 630 OD1 ASP A 82 64.862 29.038 7.275 1.00 7.60 O +ATOM 631 OD2 ASP A 82 65.407 31.098 7.787 1.00 8.52 O +ATOM 632 N ILE A 83 63.859 27.912 4.285 1.00 6.32 N +ATOM 633 CA ILE A 83 63.622 26.477 4.217 1.00 6.46 C +ATOM 634 C ILE A 83 63.844 25.765 5.548 1.00 6.56 C +ATOM 635 O ILE A 83 63.071 24.884 5.914 1.00 6.13 O +ATOM 636 CB ILE A 83 64.509 25.832 3.132 1.00 6.67 C +ATOM 637 CG1 ILE A 83 64.186 26.455 1.771 1.00 6.71 C +ATOM 638 CG2 ILE A 83 64.268 24.327 3.083 1.00 6.54 C +ATOM 639 CD1 ILE A 83 65.116 26.013 0.665 1.00 7.44 C +ATOM 640 N ASP A 84 64.887 26.144 6.280 1.00 6.92 N +ATOM 641 CA ASP A 84 65.156 25.500 7.561 1.00 7.20 C +ATOM 642 C ASP A 84 63.976 25.634 8.514 1.00 6.67 C +ATOM 643 O ASP A 84 63.613 24.679 9.202 1.00 6.78 O +ATOM 644 CB ASP A 84 66.411 26.083 8.216 1.00 8.36 C +ATOM 645 CG ASP A 84 67.666 25.819 7.408 1.00 9.56 C +ATOM 646 OD1 ASP A 84 67.726 24.776 6.723 1.00 10.87 O +ATOM 647 OD2 ASP A 84 68.600 26.647 7.467 1.00 11.47 O +ATOM 648 N ILE A 85 63.373 26.815 8.555 1.00 6.20 N +ATOM 649 CA ILE A 85 62.234 27.034 9.431 1.00 5.75 C +ATOM 650 C ILE A 85 61.020 26.233 8.965 1.00 5.53 C +ATOM 651 O ILE A 85 60.356 25.583 9.775 1.00 5.34 O +ATOM 652 CB ILE A 85 61.881 28.544 9.525 1.00 5.78 C +ATOM 653 CG1 ILE A 85 62.940 29.256 10.377 1.00 6.07 C +ATOM 654 CG2 ILE A 85 60.488 28.731 10.133 1.00 5.99 C +ATOM 655 CD1 ILE A 85 62.731 30.752 10.531 1.00 6.14 C +ATOM 656 N ALA A 86 60.737 26.263 7.666 1.00 5.28 N +ATOM 657 CA ALA A 86 59.593 25.528 7.136 1.00 5.19 C +ATOM 658 C ALA A 86 59.752 24.040 7.422 1.00 5.14 C +ATOM 659 O ALA A 86 58.793 23.367 7.791 1.00 5.06 O +ATOM 660 CB ALA A 86 59.457 25.765 5.629 1.00 5.30 C +ATOM 661 N LEU A 87 60.970 23.532 7.258 1.00 5.05 N +ATOM 662 CA LEU A 87 61.244 22.123 7.503 1.00 5.06 C +ATOM 663 C LEU A 87 61.106 21.761 8.979 1.00 5.03 C +ATOM 664 O LEU A 87 60.541 20.721 9.313 1.00 5.08 O +ATOM 665 CB LEU A 87 62.647 21.757 7.012 1.00 5.33 C +ATOM 666 CG LEU A 87 63.065 20.300 7.231 1.00 5.49 C +ATOM 667 CD1 LEU A 87 62.067 19.368 6.559 1.00 5.69 C +ATOM 668 CD2 LEU A 87 64.461 20.077 6.672 1.00 5.83 C +ATOM 669 N ALA A 88 61.630 22.612 9.857 1.00 4.70 N +ATOM 670 CA ALA A 88 61.546 22.372 11.293 1.00 4.47 C +ATOM 671 C ALA A 88 60.087 22.334 11.746 1.00 4.35 C +ATOM 672 O ALA A 88 59.706 21.468 12.530 1.00 4.25 O +ATOM 673 CB ALA A 88 62.315 23.451 12.051 1.00 4.82 C +ATOM 674 N GLU A 89 59.270 23.264 11.252 1.00 4.30 N +ATOM 675 CA GLU A 89 57.854 23.293 11.619 1.00 4.32 C +ATOM 676 C GLU A 89 57.151 22.041 11.104 1.00 4.41 C +ATOM 677 O GLU A 89 56.300 21.474 11.785 1.00 4.50 O +ATOM 678 CB GLU A 89 57.171 24.545 11.059 1.00 4.73 C +ATOM 679 CG GLU A 89 57.755 25.842 11.602 1.00 5.28 C +ATOM 680 CD GLU A 89 56.968 27.064 11.184 1.00 5.98 C +ATOM 681 OE1 GLU A 89 56.168 26.968 10.235 1.00 6.84 O +ATOM 682 OE2 GLU A 89 57.158 28.131 11.799 1.00 6.80 O +ATOM 683 N THR A 90 57.521 21.607 9.905 1.00 4.36 N +ATOM 684 CA THR A 90 56.934 20.417 9.308 1.00 4.60 C +ATOM 685 C THR A 90 57.308 19.165 10.102 1.00 4.84 C +ATOM 686 O THR A 90 56.468 18.294 10.333 1.00 4.74 O +ATOM 687 CB THR A 90 57.365 20.292 7.827 1.00 4.50 C +ATOM 688 OG1 THR A 90 56.833 21.409 7.093 1.00 4.84 O +ATOM 689 CG2 THR A 90 56.840 18.998 7.211 1.00 4.54 C +ATOM 690 N ARG A 91 58.559 19.079 10.543 1.00 4.87 N +ATOM 691 CA ARG A 91 58.982 17.928 11.333 1.00 5.12 C +ATOM 692 C ARG A 91 58.256 17.940 12.680 1.00 4.82 C +ATOM 693 O ARG A 91 57.915 16.887 13.219 1.00 4.48 O +ATOM 694 CB ARG A 91 60.501 17.944 11.542 1.00 6.31 C +ATOM 695 CG ARG A 91 61.300 17.586 10.289 1.00 8.05 C +ATOM 696 CD ARG A 91 62.802 17.655 10.547 1.00 10.06 C +ATOM 697 NE ARG A 91 63.598 17.358 9.357 1.00 11.94 N +ATOM 698 CZ ARG A 91 64.918 17.513 9.279 1.00 12.88 C +ATOM 699 NH1 ARG A 91 65.603 17.966 10.323 1.00 13.84 N +ATOM 700 NH2 ARG A 91 65.559 17.210 8.159 1.00 13.62 N +ATOM 701 N ALA A 92 58.005 19.131 13.218 1.00 4.44 N +ATOM 702 CA ALA A 92 57.296 19.239 14.488 1.00 4.72 C +ATOM 703 C ALA A 92 55.851 18.779 14.304 1.00 4.50 C +ATOM 704 O ALA A 92 55.308 18.054 15.143 1.00 4.57 O +ATOM 705 CB ALA A 92 57.334 20.677 14.999 1.00 4.57 C +ATOM 706 N ALA A 93 55.232 19.192 13.200 1.00 4.74 N +ATOM 707 CA ALA A 93 53.856 18.806 12.902 1.00 4.62 C +ATOM 708 C ALA A 93 53.760 17.282 12.817 1.00 4.65 C +ATOM 709 O ALA A 93 52.806 16.677 13.320 1.00 4.71 O +ATOM 710 CB ALA A 93 53.413 19.438 11.587 1.00 4.72 C +ATOM 711 N ILE A 94 54.745 16.668 12.169 1.00 4.84 N +ATOM 712 CA ILE A 94 54.785 15.217 12.039 1.00 5.25 C +ATOM 713 C ILE A 94 54.900 14.580 13.428 1.00 5.32 C +ATOM 714 O ILE A 94 54.190 13.621 13.741 1.00 5.54 O +ATOM 715 CB ILE A 94 55.976 14.791 11.148 1.00 5.65 C +ATOM 716 CG1 ILE A 94 55.709 15.232 9.706 1.00 5.93 C +ATOM 717 CG2 ILE A 94 56.188 13.283 11.220 1.00 5.96 C +ATOM 718 CD1 ILE A 94 56.908 15.128 8.786 1.00 6.54 C +ATOM 719 N ALA A 95 55.783 15.127 14.262 1.00 5.13 N +ATOM 720 CA ALA A 95 55.984 14.625 15.620 1.00 5.26 C +ATOM 721 C ALA A 95 54.722 14.738 16.476 1.00 5.27 C +ATOM 722 O ALA A 95 54.469 13.883 17.327 1.00 5.83 O +ATOM 723 CB ALA A 95 57.140 15.366 16.285 1.00 5.12 C +ATOM 724 N TYR A 96 53.935 15.793 16.270 1.00 5.12 N +ATOM 725 CA TYR A 96 52.690 15.970 17.019 1.00 5.04 C +ATOM 726 C TYR A 96 51.706 14.867 16.639 1.00 5.21 C +ATOM 727 O TYR A 96 50.817 14.527 17.419 1.00 5.76 O +ATOM 728 CB TYR A 96 52.038 17.316 16.701 1.00 4.91 C +ATOM 729 CG TYR A 96 52.515 18.497 17.513 1.00 4.34 C +ATOM 730 CD1 TYR A 96 52.375 18.523 18.901 1.00 4.36 C +ATOM 731 CD2 TYR A 96 53.027 19.627 16.883 1.00 4.25 C +ATOM 732 CE1 TYR A 96 52.726 19.655 19.638 1.00 4.58 C +ATOM 733 CE2 TYR A 96 53.380 20.762 17.608 1.00 4.33 C +ATOM 734 CZ TYR A 96 53.226 20.771 18.983 1.00 4.31 C +ATOM 735 OH TYR A 96 53.563 21.901 19.698 1.00 4.96 O +ATOM 736 N GLY A 97 51.853 14.343 15.424 1.00 5.13 N +ATOM 737 CA GLY A 97 50.979 13.280 14.953 1.00 5.35 C +ATOM 738 C GLY A 97 50.125 13.601 13.736 1.00 5.42 C +ATOM 739 O GLY A 97 49.149 12.903 13.467 1.00 5.91 O +ATOM 740 N ALA A 98 50.481 14.636 12.983 1.00 5.08 N +ATOM 741 CA ALA A 98 49.698 15.005 11.809 1.00 5.02 C +ATOM 742 C ALA A 98 49.631 13.910 10.750 1.00 5.08 C +ATOM 743 O ALA A 98 50.586 13.167 10.547 1.00 5.15 O +ATOM 744 CB ALA A 98 50.269 16.272 11.183 1.00 4.83 C +ATOM 745 N ASP A 99 48.485 13.808 10.085 1.00 4.91 N +ATOM 746 CA ASP A 99 48.327 12.848 8.998 1.00 4.96 C +ATOM 747 C ASP A 99 48.707 13.565 7.709 1.00 4.77 C +ATOM 748 O ASP A 99 49.161 12.947 6.750 1.00 5.03 O +ATOM 749 CB ASP A 99 46.875 12.375 8.864 1.00 5.20 C +ATOM 750 CG ASP A 99 46.429 11.513 10.017 1.00 5.74 C +ATOM 751 OD1 ASP A 99 47.188 10.597 10.396 1.00 6.55 O +ATOM 752 OD2 ASP A 99 45.315 11.749 10.534 1.00 6.03 O +ATOM 753 N GLU A 100 48.507 14.881 7.697 1.00 4.81 N +ATOM 754 CA GLU A 100 48.788 15.697 6.521 1.00 4.71 C +ATOM 755 C GLU A 100 49.282 17.079 6.934 1.00 4.39 C +ATOM 756 O GLU A 100 48.860 17.619 7.957 1.00 4.37 O +ATOM 757 CB GLU A 100 47.516 15.846 5.679 1.00 5.24 C +ATOM 758 CG GLU A 100 46.726 14.550 5.535 1.00 5.97 C +ATOM 759 CD GLU A 100 45.490 14.691 4.668 1.00 6.14 C +ATOM 760 OE1 GLU A 100 44.970 15.819 4.539 1.00 6.27 O +ATOM 761 OE2 GLU A 100 45.030 13.664 4.129 1.00 6.72 O +ATOM 762 N VAL A 101 50.180 17.644 6.136 1.00 4.26 N +ATOM 763 CA VAL A 101 50.724 18.970 6.397 1.00 4.57 C +ATOM 764 C VAL A 101 50.476 19.852 5.181 1.00 4.50 C +ATOM 765 O VAL A 101 50.837 19.486 4.064 1.00 4.71 O +ATOM 766 CB VAL A 101 52.250 18.920 6.666 1.00 4.87 C +ATOM 767 CG1 VAL A 101 52.803 20.341 6.808 1.00 5.25 C +ATOM 768 CG2 VAL A 101 52.526 18.125 7.938 1.00 5.20 C +ATOM 769 N ASP A 102 49.837 20.995 5.407 1.00 4.59 N +ATOM 770 CA ASP A 102 49.554 21.961 4.349 1.00 4.59 C +ATOM 771 C ASP A 102 50.585 23.079 4.548 1.00 4.30 C +ATOM 772 O ASP A 102 50.431 23.920 5.438 1.00 4.46 O +ATOM 773 CB ASP A 102 48.141 22.538 4.511 1.00 4.99 C +ATOM 774 CG ASP A 102 47.028 21.513 4.260 1.00 5.52 C +ATOM 775 OD1 ASP A 102 47.260 20.288 4.363 1.00 5.57 O +ATOM 776 OD2 ASP A 102 45.888 21.952 3.979 1.00 6.05 O +ATOM 777 N VAL A 103 51.634 23.089 3.730 1.00 4.09 N +ATOM 778 CA VAL A 103 52.696 24.087 3.856 1.00 4.11 C +ATOM 779 C VAL A 103 52.505 25.248 2.887 1.00 3.86 C +ATOM 780 O VAL A 103 52.022 25.055 1.771 1.00 4.01 O +ATOM 781 CB VAL A 103 54.085 23.436 3.599 1.00 4.07 C +ATOM 782 CG1 VAL A 103 54.215 23.029 2.136 1.00 4.19 C +ATOM 783 CG2 VAL A 103 55.203 24.391 3.991 1.00 4.29 C +ATOM 784 N VAL A 104 52.873 26.456 3.311 1.00 3.73 N +ATOM 785 CA VAL A 104 52.737 27.616 2.433 1.00 3.88 C +ATOM 786 C VAL A 104 53.981 27.793 1.569 1.00 4.01 C +ATOM 787 O VAL A 104 55.106 27.878 2.068 1.00 4.18 O +ATOM 788 CB VAL A 104 52.487 28.942 3.217 1.00 3.78 C +ATOM 789 CG1 VAL A 104 52.201 30.082 2.232 1.00 4.33 C +ATOM 790 CG2 VAL A 104 51.308 28.785 4.172 1.00 3.83 C +ATOM 791 N PHE A 105 53.754 27.818 0.263 1.00 3.97 N +ATOM 792 CA PHE A 105 54.797 28.002 -0.741 1.00 4.09 C +ATOM 793 C PHE A 105 55.392 29.411 -0.588 1.00 4.50 C +ATOM 794 O PHE A 105 54.687 30.344 -0.208 1.00 4.37 O +ATOM 795 CB PHE A 105 54.142 27.833 -2.120 1.00 4.37 C +ATOM 796 CG PHE A 105 55.084 27.953 -3.287 1.00 4.21 C +ATOM 797 CD1 PHE A 105 55.399 29.195 -3.831 1.00 4.70 C +ATOM 798 CD2 PHE A 105 55.609 26.810 -3.879 1.00 4.61 C +ATOM 799 CE1 PHE A 105 56.219 29.294 -4.955 1.00 4.34 C +ATOM 800 CE2 PHE A 105 56.430 26.897 -5.002 1.00 4.71 C +ATOM 801 CZ PHE A 105 56.735 28.142 -5.543 1.00 4.67 C +ATOM 802 N PRO A 106 56.703 29.578 -0.849 1.00 4.50 N +ATOM 803 CA PRO A 106 57.315 30.910 -0.727 1.00 4.82 C +ATOM 804 C PRO A 106 56.920 31.736 -1.953 1.00 4.81 C +ATOM 805 O PRO A 106 57.724 31.973 -2.866 1.00 5.10 O +ATOM 806 CB PRO A 106 58.810 30.600 -0.664 1.00 4.72 C +ATOM 807 CG PRO A 106 58.935 29.378 -1.506 1.00 4.88 C +ATOM 808 CD PRO A 106 57.722 28.550 -1.128 1.00 4.49 C +ATOM 809 N TYR A 107 55.668 32.184 -1.956 1.00 4.83 N +ATOM 810 CA TYR A 107 55.127 32.926 -3.083 1.00 4.99 C +ATOM 811 C TYR A 107 55.701 34.313 -3.327 1.00 5.29 C +ATOM 812 O TYR A 107 55.814 34.731 -4.477 1.00 5.21 O +ATOM 813 CB TYR A 107 53.594 32.968 -2.987 1.00 4.91 C +ATOM 814 CG TYR A 107 53.030 33.752 -1.831 1.00 4.89 C +ATOM 815 CD1 TYR A 107 52.849 35.131 -1.930 1.00 5.28 C +ATOM 816 CD2 TYR A 107 52.646 33.115 -0.648 1.00 4.85 C +ATOM 817 CE1 TYR A 107 52.297 35.858 -0.888 1.00 5.47 C +ATOM 818 CE2 TYR A 107 52.092 33.837 0.409 1.00 5.45 C +ATOM 819 CZ TYR A 107 51.918 35.210 0.278 1.00 5.62 C +ATOM 820 OH TYR A 107 51.360 35.947 1.299 1.00 6.34 O +ATOM 821 N ARG A 108 56.072 35.033 -2.273 1.00 5.41 N +ATOM 822 CA ARG A 108 56.655 36.353 -2.486 1.00 5.97 C +ATOM 823 C ARG A 108 58.017 36.195 -3.162 1.00 5.87 C +ATOM 824 O ARG A 108 58.396 37.001 -4.014 1.00 5.90 O +ATOM 825 CB ARG A 108 56.798 37.113 -1.164 1.00 6.84 C +ATOM 826 CG ARG A 108 55.481 37.641 -0.605 1.00 8.48 C +ATOM 827 CD ARG A 108 55.738 38.523 0.604 1.00 10.28 C +ATOM 828 NE ARG A 108 56.520 37.809 1.607 1.00 11.85 N +ATOM 829 CZ ARG A 108 56.017 36.916 2.450 1.00 12.61 C +ATOM 830 NH1 ARG A 108 54.721 36.633 2.424 1.00 13.59 N +ATOM 831 NH2 ARG A 108 56.814 36.281 3.297 1.00 12.72 N +ATOM 832 N ALA A 109 58.749 35.149 -2.791 1.00 5.79 N +ATOM 833 CA ALA A 109 60.051 34.899 -3.395 1.00 5.58 C +ATOM 834 C ALA A 109 59.868 34.619 -4.886 1.00 5.61 C +ATOM 835 O ALA A 109 60.637 35.100 -5.717 1.00 5.50 O +ATOM 836 CB ALA A 109 60.734 33.718 -2.710 1.00 6.04 C +ATOM 837 N LEU A 110 58.848 33.840 -5.226 1.00 5.74 N +ATOM 838 CA LEU A 110 58.593 33.536 -6.626 1.00 5.93 C +ATOM 839 C LEU A 110 58.277 34.825 -7.376 1.00 6.07 C +ATOM 840 O LEU A 110 58.788 35.060 -8.472 1.00 6.02 O +ATOM 841 CB LEU A 110 57.420 32.562 -6.767 1.00 6.12 C +ATOM 842 CG LEU A 110 56.987 32.306 -8.218 1.00 6.08 C +ATOM 843 CD1 LEU A 110 58.121 31.637 -8.996 1.00 6.42 C +ATOM 844 CD2 LEU A 110 55.739 31.434 -8.227 1.00 6.45 C +ATOM 845 N MET A 111 57.429 35.658 -6.782 1.00 6.04 N +ATOM 846 CA MET A 111 57.049 36.921 -7.400 1.00 6.65 C +ATOM 847 C MET A 111 58.269 37.812 -7.619 1.00 6.46 C +ATOM 848 O MET A 111 58.312 38.587 -8.574 1.00 6.56 O +ATOM 849 CB MET A 111 56.012 37.630 -6.529 1.00 7.26 C +ATOM 850 CG MET A 111 54.677 36.895 -6.461 1.00 8.21 C +ATOM 851 SD MET A 111 53.582 37.473 -5.140 1.00 9.35 S +ATOM 852 CE MET A 111 52.927 38.975 -5.873 1.00 9.67 C +ATOM 853 N ALA A 112 59.262 37.689 -6.741 1.00 6.38 N +ATOM 854 CA ALA A 112 60.485 38.482 -6.849 1.00 6.25 C +ATOM 855 C ALA A 112 61.467 37.881 -7.856 1.00 6.47 C +ATOM 856 O ALA A 112 62.512 38.474 -8.137 1.00 6.54 O +ATOM 857 CB ALA A 112 61.149 38.612 -5.483 1.00 6.29 C +ATOM 858 N GLY A 113 61.130 36.706 -8.387 1.00 6.56 N +ATOM 859 CA GLY A 113 61.979 36.063 -9.378 1.00 7.00 C +ATOM 860 C GLY A 113 62.695 34.785 -8.977 1.00 7.16 C +ATOM 861 O GLY A 113 63.451 34.227 -9.772 1.00 7.73 O +ATOM 862 N ASN A 114 62.455 34.303 -7.763 1.00 6.92 N +ATOM 863 CA ASN A 114 63.125 33.093 -7.294 1.00 7.08 C +ATOM 864 C ASN A 114 62.249 31.852 -7.435 1.00 7.34 C +ATOM 865 O ASN A 114 61.385 31.597 -6.594 1.00 7.46 O +ATOM 866 CB ASN A 114 63.529 33.259 -5.828 1.00 6.86 C +ATOM 867 CG ASN A 114 64.513 32.203 -5.370 1.00 6.97 C +ATOM 868 OD1 ASN A 114 64.603 31.127 -5.959 1.00 7.03 O +ATOM 869 ND2 ASN A 114 65.247 32.502 -4.303 1.00 6.97 N +ATOM 870 N GLU A 115 62.470 31.083 -8.495 1.00 7.69 N +ATOM 871 CA GLU A 115 61.694 29.866 -8.715 1.00 8.25 C +ATOM 872 C GLU A 115 62.316 28.682 -7.981 1.00 8.02 C +ATOM 873 O GLU A 115 61.630 27.716 -7.646 1.00 8.25 O +ATOM 874 CB GLU A 115 61.623 29.530 -10.206 1.00 8.96 C +ATOM 875 CG GLU A 115 61.070 30.641 -11.082 1.00 10.62 C +ATOM 876 CD GLU A 115 60.777 30.173 -12.496 1.00 11.45 C +ATOM 877 OE1 GLU A 115 61.269 29.091 -12.880 1.00 12.44 O +ATOM 878 OE2 GLU A 115 60.061 30.893 -13.226 1.00 12.56 O +ATOM 879 N GLN A 116 63.615 28.768 -7.719 1.00 7.72 N +ATOM 880 CA GLN A 116 64.331 27.682 -7.065 1.00 7.48 C +ATOM 881 C GLN A 116 63.988 27.440 -5.603 1.00 7.11 C +ATOM 882 O GLN A 116 63.856 26.290 -5.186 1.00 6.97 O +ATOM 883 CB GLN A 116 65.841 27.901 -7.198 1.00 8.05 C +ATOM 884 CG GLN A 116 66.681 26.686 -6.823 1.00 9.20 C +ATOM 885 CD GLN A 116 66.382 25.486 -7.705 1.00 10.00 C +ATOM 886 OE1 GLN A 116 66.328 25.603 -8.929 1.00 10.90 O +ATOM 887 NE2 GLN A 116 66.194 24.326 -7.088 1.00 10.60 N +ATOM 888 N VAL A 117 63.843 28.504 -4.820 1.00 6.59 N +ATOM 889 CA VAL A 117 63.548 28.332 -3.403 1.00 6.66 C +ATOM 890 C VAL A 117 62.227 27.599 -3.173 1.00 6.35 C +ATOM 891 O VAL A 117 62.122 26.784 -2.258 1.00 6.28 O +ATOM 892 CB VAL A 117 63.563 29.697 -2.643 1.00 6.68 C +ATOM 893 CG1 VAL A 117 62.383 30.570 -3.059 1.00 7.13 C +ATOM 894 CG2 VAL A 117 63.556 29.449 -1.139 1.00 7.08 C +ATOM 895 N GLY A 118 61.229 27.872 -4.009 1.00 6.08 N +ATOM 896 CA GLY A 118 59.947 27.200 -3.869 1.00 5.76 C +ATOM 897 C GLY A 118 60.096 25.709 -4.111 1.00 5.31 C +ATOM 898 O GLY A 118 59.502 24.883 -3.412 1.00 5.76 O +ATOM 899 N PHE A 119 60.892 25.356 -5.114 1.00 5.29 N +ATOM 900 CA PHE A 119 61.121 23.956 -5.423 1.00 5.12 C +ATOM 901 C PHE A 119 61.849 23.295 -4.256 1.00 5.29 C +ATOM 902 O PHE A 119 61.442 22.237 -3.779 1.00 4.99 O +ATOM 903 CB PHE A 119 61.946 23.825 -6.708 1.00 5.15 C +ATOM 904 CG PHE A 119 62.264 22.404 -7.080 1.00 5.27 C +ATOM 905 CD1 PHE A 119 63.366 21.755 -6.531 1.00 5.75 C +ATOM 906 CD2 PHE A 119 61.448 21.708 -7.963 1.00 5.43 C +ATOM 907 CE1 PHE A 119 63.650 20.432 -6.857 1.00 5.91 C +ATOM 908 CE2 PHE A 119 61.721 20.384 -8.297 1.00 5.56 C +ATOM 909 CZ PHE A 119 62.825 19.744 -7.743 1.00 5.82 C +ATOM 910 N ASP A 120 62.910 23.938 -3.778 1.00 5.53 N +ATOM 911 CA ASP A 120 63.687 23.388 -2.672 1.00 5.89 C +ATOM 912 C ASP A 120 62.896 23.264 -1.370 1.00 5.72 C +ATOM 913 O ASP A 120 63.047 22.287 -0.638 1.00 5.71 O +ATOM 914 CB ASP A 120 64.933 24.236 -2.409 1.00 6.64 C +ATOM 915 CG ASP A 120 65.920 24.216 -3.560 1.00 7.58 C +ATOM 916 OD1 ASP A 120 65.853 23.305 -4.412 1.00 8.27 O +ATOM 917 OD2 ASP A 120 66.783 25.118 -3.595 1.00 8.70 O +ATOM 918 N LEU A 121 62.057 24.251 -1.076 1.00 5.49 N +ATOM 919 CA LEU A 121 61.274 24.227 0.155 1.00 5.42 C +ATOM 920 C LEU A 121 60.251 23.100 0.129 1.00 5.39 C +ATOM 921 O LEU A 121 60.147 22.326 1.080 1.00 5.37 O +ATOM 922 CB LEU A 121 60.581 25.579 0.363 1.00 5.44 C +ATOM 923 CG LEU A 121 59.962 25.844 1.739 1.00 5.40 C +ATOM 924 CD1 LEU A 121 59.977 27.339 2.029 1.00 5.70 C +ATOM 925 CD2 LEU A 121 58.547 25.292 1.794 1.00 5.63 C +ATOM 926 N VAL A 122 59.497 22.999 -0.960 1.00 5.42 N +ATOM 927 CA VAL A 122 58.503 21.944 -1.073 1.00 5.34 C +ATOM 928 C VAL A 122 59.178 20.576 -1.059 1.00 5.46 C +ATOM 929 O VAL A 122 58.708 19.656 -0.396 1.00 5.13 O +ATOM 930 CB VAL A 122 57.671 22.095 -2.367 1.00 5.26 C +ATOM 931 CG1 VAL A 122 56.777 20.877 -2.562 1.00 5.44 C +ATOM 932 CG2 VAL A 122 56.826 23.350 -2.288 1.00 5.61 C +ATOM 933 N LYS A 123 60.286 20.440 -1.780 1.00 5.72 N +ATOM 934 CA LYS A 123 60.987 19.161 -1.821 1.00 6.12 C +ATOM 935 C LYS A 123 61.456 18.728 -0.434 1.00 5.93 C +ATOM 936 O LYS A 123 61.302 17.566 -0.057 1.00 5.63 O +ATOM 937 CB LYS A 123 62.176 19.238 -2.781 1.00 7.07 C +ATOM 938 CG LYS A 123 62.902 17.910 -2.960 1.00 8.58 C +ATOM 939 CD LYS A 123 64.002 18.007 -4.009 1.00 10.12 C +ATOM 940 CE LYS A 123 64.704 16.668 -4.199 1.00 11.24 C +ATOM 941 NZ LYS A 123 65.772 16.741 -5.238 1.00 12.57 N +ATOM 942 N ALA A 124 62.019 19.658 0.333 1.00 5.90 N +ATOM 943 CA ALA A 124 62.492 19.332 1.677 1.00 5.74 C +ATOM 944 C ALA A 124 61.349 18.874 2.582 1.00 5.93 C +ATOM 945 O ALA A 124 61.478 17.890 3.308 1.00 5.72 O +ATOM 946 CB ALA A 124 63.194 20.535 2.288 1.00 5.88 C +ATOM 947 N CYS A 125 60.227 19.584 2.534 1.00 6.08 N +ATOM 948 CA CYS A 125 59.083 19.235 3.366 1.00 7.05 C +ATOM 949 C CYS A 125 58.470 17.918 2.915 1.00 6.17 C +ATOM 950 O CYS A 125 58.048 17.111 3.746 1.00 5.62 O +ATOM 951 CB CYS A 125 58.019 20.322 3.297 1.00 8.46 C +ATOM 952 SG CYS A 125 57.063 20.236 1.800 1.00 15.85 S +ATOM 953 N LYS A 126 58.404 17.707 1.602 1.00 5.77 N +ATOM 954 CA LYS A 126 57.849 16.466 1.073 1.00 5.84 C +ATOM 955 C LYS A 126 58.697 15.288 1.540 1.00 6.12 C +ATOM 956 O LYS A 126 58.165 14.248 1.908 1.00 6.05 O +ATOM 957 CB LYS A 126 57.800 16.506 -0.459 1.00 5.79 C +ATOM 958 CG LYS A 126 57.422 15.176 -1.120 1.00 5.83 C +ATOM 959 CD LYS A 126 56.039 14.679 -0.705 1.00 6.02 C +ATOM 960 CE LYS A 126 55.714 13.318 -1.339 1.00 6.25 C +ATOM 961 NZ LYS A 126 55.611 13.393 -2.826 1.00 7.02 N +ATOM 962 N GLU A 127 60.017 15.453 1.533 1.00 6.22 N +ATOM 963 CA GLU A 127 60.895 14.374 1.967 1.00 6.55 C +ATOM 964 C GLU A 127 60.577 13.956 3.401 1.00 6.14 C +ATOM 965 O GLU A 127 60.490 12.770 3.707 1.00 5.93 O +ATOM 966 CB GLU A 127 62.365 14.793 1.868 1.00 7.46 C +ATOM 967 CG GLU A 127 63.325 13.725 2.382 1.00 8.64 C +ATOM 968 CD GLU A 127 64.788 14.116 2.260 1.00 9.51 C +ATOM 969 OE1 GLU A 127 65.138 15.247 2.657 1.00 10.26 O +ATOM 970 OE2 GLU A 127 65.589 13.283 1.776 1.00 9.95 O +ATOM 971 N ALA A 128 60.392 14.935 4.279 1.00 5.75 N +ATOM 972 CA ALA A 128 60.086 14.649 5.674 1.00 5.48 C +ATOM 973 C ALA A 128 58.722 13.985 5.813 1.00 5.44 C +ATOM 974 O ALA A 128 58.566 13.007 6.541 1.00 5.24 O +ATOM 975 CB ALA A 128 60.129 15.933 6.493 1.00 5.55 C +ATOM 976 N CYS A 129 57.728 14.515 5.111 1.00 5.46 N +ATOM 977 CA CYS A 129 56.389 13.948 5.191 1.00 5.41 C +ATOM 978 C CYS A 129 56.325 12.528 4.645 1.00 5.43 C +ATOM 979 O CYS A 129 55.777 11.636 5.291 1.00 5.23 O +ATOM 980 CB CYS A 129 55.394 14.841 4.448 1.00 5.31 C +ATOM 981 SG CYS A 129 55.070 16.421 5.280 1.00 5.90 S +ATOM 982 N ALA A 130 56.885 12.315 3.460 1.00 5.44 N +ATOM 983 CA ALA A 130 56.877 10.991 2.852 1.00 5.63 C +ATOM 984 C ALA A 130 57.535 9.966 3.771 1.00 6.02 C +ATOM 985 O ALA A 130 57.069 8.834 3.876 1.00 6.03 O +ATOM 986 CB ALA A 130 57.597 11.029 1.512 1.00 5.94 C +ATOM 987 N ALA A 131 58.613 10.364 4.437 1.00 6.03 N +ATOM 988 CA ALA A 131 59.324 9.460 5.338 1.00 6.28 C +ATOM 989 C ALA A 131 58.474 9.047 6.537 1.00 6.47 C +ATOM 990 O ALA A 131 58.782 8.067 7.211 1.00 6.77 O +ATOM 991 CB ALA A 131 60.615 10.110 5.810 1.00 6.54 C +ATOM 992 N ALA A 132 57.405 9.795 6.800 1.00 6.29 N +ATOM 993 CA ALA A 132 56.518 9.501 7.923 1.00 6.47 C +ATOM 994 C ALA A 132 55.118 9.106 7.450 1.00 6.50 C +ATOM 995 O ALA A 132 54.190 9.023 8.252 1.00 6.41 O +ATOM 996 CB ALA A 132 56.428 10.718 8.845 1.00 6.32 C +ATOM 997 N ASN A 133 54.974 8.860 6.149 1.00 6.83 N +ATOM 998 CA ASN A 133 53.685 8.489 5.564 1.00 7.18 C +ATOM 999 C ASN A 133 52.631 9.558 5.826 1.00 6.92 C +ATOM 1000 O ASN A 133 51.481 9.267 6.159 1.00 7.33 O +ATOM 1001 CB ASN A 133 53.225 7.136 6.106 1.00 8.13 C +ATOM 1002 CG ASN A 133 54.168 6.019 5.721 1.00 9.22 C +ATOM 1003 OD1 ASN A 133 54.456 5.816 4.541 1.00 10.52 O +ATOM 1004 ND2 ASN A 133 54.660 5.290 6.713 1.00 10.27 N +ATOM 1005 N VAL A 134 53.051 10.805 5.647 1.00 6.21 N +ATOM 1006 CA VAL A 134 52.216 11.984 5.835 1.00 5.83 C +ATOM 1007 C VAL A 134 52.102 12.656 4.468 1.00 5.58 C +ATOM 1008 O VAL A 134 53.094 12.773 3.758 1.00 5.42 O +ATOM 1009 CB VAL A 134 52.888 12.943 6.855 1.00 5.55 C +ATOM 1010 CG1 VAL A 134 52.200 14.297 6.858 1.00 5.38 C +ATOM 1011 CG2 VAL A 134 52.838 12.322 8.245 1.00 5.41 C +ATOM 1012 N LEU A 135 50.894 13.062 4.082 1.00 5.64 N +ATOM 1013 CA LEU A 135 50.705 13.727 2.795 1.00 5.60 C +ATOM 1014 C LEU A 135 51.035 15.205 2.926 1.00 5.14 C +ATOM 1015 O LEU A 135 50.834 15.805 3.983 1.00 5.26 O +ATOM 1016 CB LEU A 135 49.261 13.579 2.307 1.00 6.27 C +ATOM 1017 CG LEU A 135 48.754 12.180 1.954 1.00 6.97 C +ATOM 1018 CD1 LEU A 135 47.306 12.278 1.497 1.00 7.47 C +ATOM 1019 CD2 LEU A 135 49.622 11.566 0.866 1.00 7.57 C +ATOM 1020 N LEU A 136 51.542 15.791 1.848 1.00 4.87 N +ATOM 1021 CA LEU A 136 51.895 17.199 1.846 1.00 4.50 C +ATOM 1022 C LEU A 136 51.070 17.998 0.849 1.00 4.37 C +ATOM 1023 O LEU A 136 51.066 17.695 -0.345 1.00 4.45 O +ATOM 1024 CB LEU A 136 53.372 17.377 1.497 1.00 4.75 C +ATOM 1025 CG LEU A 136 53.798 18.843 1.424 1.00 4.77 C +ATOM 1026 CD1 LEU A 136 54.168 19.352 2.817 1.00 5.22 C +ATOM 1027 CD2 LEU A 136 54.964 18.964 0.463 1.00 5.49 C +ATOM 1028 N LYS A 137 50.356 19.005 1.343 1.00 4.05 N +ATOM 1029 CA LYS A 137 49.588 19.882 0.470 1.00 3.94 C +ATOM 1030 C LYS A 137 50.405 21.167 0.416 1.00 3.69 C +ATOM 1031 O LYS A 137 51.074 21.528 1.391 1.00 3.71 O +ATOM 1032 CB LYS A 137 48.199 20.196 1.045 1.00 3.77 C +ATOM 1033 CG LYS A 137 47.357 18.980 1.418 1.00 3.83 C +ATOM 1034 CD LYS A 137 45.879 19.359 1.483 1.00 4.41 C +ATOM 1035 CE LYS A 137 45.060 18.338 2.259 1.00 4.33 C +ATOM 1036 NZ LYS A 137 45.162 18.530 3.740 1.00 5.02 N +ATOM 1037 N VAL A 138 50.369 21.853 -0.719 1.00 3.71 N +ATOM 1038 CA VAL A 138 51.116 23.097 -0.857 1.00 4.02 C +ATOM 1039 C VAL A 138 50.191 24.266 -1.181 1.00 4.08 C +ATOM 1040 O VAL A 138 49.494 24.260 -2.196 1.00 4.42 O +ATOM 1041 CB VAL A 138 52.201 22.980 -1.951 1.00 3.93 C +ATOM 1042 CG1 VAL A 138 52.934 24.313 -2.108 1.00 4.02 C +ATOM 1043 CG2 VAL A 138 53.187 21.877 -1.579 1.00 4.48 C +ATOM 1044 N ILE A 139 50.189 25.264 -0.302 1.00 4.24 N +ATOM 1045 CA ILE A 139 49.366 26.459 -0.463 1.00 4.34 C +ATOM 1046 C ILE A 139 50.155 27.486 -1.270 1.00 4.42 C +ATOM 1047 O ILE A 139 51.215 27.938 -0.834 1.00 4.74 O +ATOM 1048 CB ILE A 139 49.035 27.082 0.913 1.00 4.50 C +ATOM 1049 CG1 ILE A 139 48.360 26.046 1.816 1.00 4.66 C +ATOM 1050 CG2 ILE A 139 48.147 28.306 0.732 1.00 4.76 C +ATOM 1051 CD1 ILE A 139 48.403 26.412 3.298 1.00 5.04 C +ATOM 1052 N ILE A 140 49.650 27.871 -2.439 1.00 4.49 N +ATOM 1053 CA ILE A 140 50.378 28.841 -3.249 1.00 4.63 C +ATOM 1054 C ILE A 140 49.916 30.294 -3.090 1.00 4.75 C +ATOM 1055 O ILE A 140 50.588 31.210 -3.557 1.00 4.86 O +ATOM 1056 CB ILE A 140 50.372 28.449 -4.754 1.00 4.57 C +ATOM 1057 CG1 ILE A 140 48.949 28.419 -5.309 1.00 4.50 C +ATOM 1058 CG2 ILE A 140 51.025 27.083 -4.932 1.00 4.75 C +ATOM 1059 CD1 ILE A 140 48.911 28.288 -6.827 1.00 5.03 C +ATOM 1060 N GLU A 141 48.789 30.492 -2.406 1.00 4.55 N +ATOM 1061 CA GLU A 141 48.207 31.818 -2.155 1.00 4.60 C +ATOM 1062 C GLU A 141 47.871 32.560 -3.448 1.00 4.70 C +ATOM 1063 O GLU A 141 48.443 33.611 -3.756 1.00 4.67 O +ATOM 1064 CB GLU A 141 49.143 32.669 -1.285 1.00 4.53 C +ATOM 1065 CG GLU A 141 48.433 33.792 -0.515 1.00 4.51 C +ATOM 1066 CD GLU A 141 47.554 33.277 0.620 1.00 4.45 C +ATOM 1067 OE1 GLU A 141 46.530 32.607 0.349 1.00 4.94 O +ATOM 1068 OE2 GLU A 141 47.889 33.549 1.794 1.00 4.63 O +ATOM 1069 N THR A 142 46.922 31.997 -4.192 1.00 5.04 N +ATOM 1070 CA THR A 142 46.474 32.552 -5.463 1.00 5.44 C +ATOM 1071 C THR A 142 46.042 34.016 -5.383 1.00 5.65 C +ATOM 1072 O THR A 142 46.237 34.774 -6.334 1.00 5.79 O +ATOM 1073 CB THR A 142 45.299 31.727 -6.024 1.00 5.54 C +ATOM 1074 OG1 THR A 142 44.269 31.629 -5.034 1.00 5.88 O +ATOM 1075 CG2 THR A 142 45.764 30.330 -6.402 1.00 5.62 C +ATOM 1076 N GLY A 143 45.460 34.404 -4.250 1.00 6.02 N +ATOM 1077 CA GLY A 143 44.998 35.770 -4.067 1.00 6.87 C +ATOM 1078 C GLY A 143 46.103 36.802 -4.116 1.00 7.36 C +ATOM 1079 O GLY A 143 45.872 37.947 -4.508 1.00 8.18 O +ATOM 1080 N GLU A 144 47.306 36.408 -3.711 1.00 7.66 N +ATOM 1081 CA GLU A 144 48.446 37.314 -3.725 1.00 8.02 C +ATOM 1082 C GLU A 144 49.239 37.190 -5.023 1.00 7.96 C +ATOM 1083 O GLU A 144 49.779 38.184 -5.517 1.00 7.80 O +ATOM 1084 CB GLU A 144 49.347 37.048 -2.517 1.00 8.51 C +ATOM 1085 CG GLU A 144 48.704 37.425 -1.190 1.00 9.30 C +ATOM 1086 CD GLU A 144 48.280 38.882 -1.137 1.00 9.98 C +ATOM 1087 OE1 GLU A 144 49.148 39.762 -1.313 1.00 10.87 O +ATOM 1088 OE2 GLU A 144 47.080 39.151 -0.919 1.00 10.71 O +ATOM 1089 N LEU A 145 49.314 35.981 -5.576 1.00 7.92 N +ATOM 1090 CA LEU A 145 50.025 35.779 -6.838 1.00 8.15 C +ATOM 1091 C LEU A 145 49.295 36.596 -7.898 1.00 8.57 C +ATOM 1092 O LEU A 145 49.919 37.216 -8.757 1.00 8.43 O +ATOM 1093 CB LEU A 145 50.041 34.297 -7.224 1.00 7.93 C +ATOM 1094 CG LEU A 145 50.947 33.405 -6.369 1.00 7.52 C +ATOM 1095 CD1 LEU A 145 50.779 31.950 -6.793 1.00 7.71 C +ATOM 1096 CD2 LEU A 145 52.399 33.846 -6.516 1.00 7.86 C +ATOM 1097 N LYS A 146 47.966 36.564 -7.831 1.00 9.05 N +ATOM 1098 CA LYS A 146 47.102 37.333 -8.723 1.00 9.98 C +ATOM 1099 C LYS A 146 47.087 36.963 -10.205 1.00 9.98 C +ATOM 1100 O LYS A 146 46.028 36.665 -10.763 1.00 10.01 O +ATOM 1101 CB LYS A 146 47.449 38.817 -8.585 1.00 10.80 C +ATOM 1102 CG LYS A 146 46.396 39.774 -9.111 1.00 12.28 C +ATOM 1103 CD LYS A 146 46.848 41.222 -8.957 1.00 13.41 C +ATOM 1104 CE LYS A 146 47.424 41.501 -7.569 1.00 14.13 C +ATOM 1105 NZ LYS A 146 46.483 41.166 -6.462 1.00 14.90 N +ATOM 1106 N ASP A 147 48.252 36.998 -10.843 1.00 10.21 N +ATOM 1107 CA ASP A 147 48.345 36.702 -12.269 1.00 10.46 C +ATOM 1108 C ASP A 147 48.282 35.219 -12.602 1.00 10.08 C +ATOM 1109 O ASP A 147 48.887 34.390 -11.921 1.00 9.87 O +ATOM 1110 CB ASP A 147 49.629 37.299 -12.845 1.00 11.86 C +ATOM 1111 CG ASP A 147 49.767 38.778 -12.545 1.00 13.15 C +ATOM 1112 OD1 ASP A 147 48.786 39.525 -12.749 1.00 14.33 O +ATOM 1113 OD2 ASP A 147 50.860 39.194 -12.106 1.00 14.65 O +ATOM 1114 N GLU A 148 47.554 34.897 -13.666 1.00 9.68 N +ATOM 1115 CA GLU A 148 47.395 33.518 -14.111 1.00 9.56 C +ATOM 1116 C GLU A 148 48.733 32.820 -14.327 1.00 9.01 C +ATOM 1117 O GLU A 148 48.905 31.667 -13.935 1.00 8.83 O +ATOM 1118 CB GLU A 148 46.585 33.469 -15.409 1.00 10.28 C +ATOM 1119 CG GLU A 148 46.252 32.055 -15.866 1.00 11.64 C +ATOM 1120 CD GLU A 148 45.444 32.024 -17.149 1.00 12.58 C +ATOM 1121 OE1 GLU A 148 44.593 32.919 -17.335 1.00 13.61 O +ATOM 1122 OE2 GLU A 148 45.651 31.097 -17.962 1.00 13.64 O +ATOM 1123 N ALA A 149 49.678 33.517 -14.950 1.00 8.45 N +ATOM 1124 CA ALA A 149 50.992 32.938 -15.216 1.00 7.89 C +ATOM 1125 C ALA A 149 51.714 32.539 -13.931 1.00 7.53 C +ATOM 1126 O ALA A 149 52.351 31.487 -13.874 1.00 7.32 O +ATOM 1127 CB ALA A 149 51.845 33.922 -16.013 1.00 8.37 C +ATOM 1128 N LEU A 150 51.619 33.378 -12.905 1.00 7.18 N +ATOM 1129 CA LEU A 150 52.268 33.090 -11.631 1.00 7.09 C +ATOM 1130 C LEU A 150 51.575 31.938 -10.910 1.00 6.83 C +ATOM 1131 O LEU A 150 52.225 31.122 -10.258 1.00 6.78 O +ATOM 1132 CB LEU A 150 52.281 34.341 -10.744 1.00 7.61 C +ATOM 1133 CG LEU A 150 53.345 35.400 -11.059 1.00 8.09 C +ATOM 1134 CD1 LEU A 150 53.058 36.670 -10.275 1.00 8.33 C +ATOM 1135 CD2 LEU A 150 54.730 34.861 -10.711 1.00 8.75 C +ATOM 1136 N ILE A 151 50.253 31.874 -11.019 1.00 6.57 N +ATOM 1137 CA ILE A 151 49.507 30.798 -10.388 1.00 6.35 C +ATOM 1138 C ILE A 151 49.898 29.476 -11.046 1.00 6.45 C +ATOM 1139 O ILE A 151 50.105 28.473 -10.365 1.00 5.93 O +ATOM 1140 CB ILE A 151 47.985 31.038 -10.506 1.00 6.32 C +ATOM 1141 CG1 ILE A 151 47.588 32.226 -9.622 1.00 6.27 C +ATOM 1142 CG2 ILE A 151 47.219 29.781 -10.102 1.00 6.17 C +ATOM 1143 CD1 ILE A 151 46.148 32.668 -9.769 1.00 6.89 C +ATOM 1144 N ARG A 152 50.017 29.470 -12.371 1.00 6.49 N +ATOM 1145 CA ARG A 152 50.418 28.247 -13.054 1.00 6.90 C +ATOM 1146 C ARG A 152 51.843 27.873 -12.665 1.00 6.69 C +ATOM 1147 O ARG A 152 52.128 26.708 -12.402 1.00 6.74 O +ATOM 1148 CB ARG A 152 50.336 28.405 -14.574 1.00 7.50 C +ATOM 1149 CG ARG A 152 48.919 28.441 -15.125 1.00 8.53 C +ATOM 1150 CD ARG A 152 48.921 28.404 -16.647 1.00 9.59 C +ATOM 1151 NE ARG A 152 47.607 28.718 -17.207 1.00 10.56 N +ATOM 1152 CZ ARG A 152 46.554 27.907 -17.170 1.00 11.15 C +ATOM 1153 NH1 ARG A 152 46.647 26.712 -16.603 1.00 11.50 N +ATOM 1154 NH2 ARG A 152 45.399 28.301 -17.687 1.00 12.03 N +ATOM 1155 N LYS A 153 52.736 28.860 -12.620 1.00 6.44 N +ATOM 1156 CA LYS A 153 54.129 28.590 -12.275 1.00 6.44 C +ATOM 1157 C LYS A 153 54.289 28.012 -10.871 1.00 6.04 C +ATOM 1158 O LYS A 153 55.019 27.040 -10.681 1.00 5.79 O +ATOM 1159 CB LYS A 153 54.975 29.861 -12.421 1.00 6.84 C +ATOM 1160 CG LYS A 153 56.474 29.649 -12.208 1.00 7.78 C +ATOM 1161 CD LYS A 153 57.047 28.548 -13.104 1.00 8.85 C +ATOM 1162 CE LYS A 153 56.963 28.896 -14.585 1.00 9.46 C +ATOM 1163 NZ LYS A 153 57.525 27.804 -15.436 1.00 10.60 N +ATOM 1164 N ALA A 154 53.608 28.598 -9.889 1.00 5.47 N +ATOM 1165 CA ALA A 154 53.701 28.102 -8.520 1.00 5.35 C +ATOM 1166 C ALA A 154 53.147 26.682 -8.442 1.00 5.35 C +ATOM 1167 O ALA A 154 53.677 25.834 -7.720 1.00 5.25 O +ATOM 1168 CB ALA A 154 52.935 29.023 -7.571 1.00 5.08 C +ATOM 1169 N SER A 155 52.078 26.420 -9.188 1.00 5.25 N +ATOM 1170 CA SER A 155 51.474 25.091 -9.197 1.00 5.38 C +ATOM 1171 C SER A 155 52.435 24.076 -9.810 1.00 5.48 C +ATOM 1172 O SER A 155 52.625 22.982 -9.280 1.00 5.25 O +ATOM 1173 CB SER A 155 50.172 25.101 -10.004 1.00 5.42 C +ATOM 1174 OG SER A 155 49.201 25.952 -9.417 1.00 5.45 O +ATOM 1175 N GLU A 156 53.039 24.452 -10.932 1.00 5.88 N +ATOM 1176 CA GLU A 156 53.974 23.580 -11.631 1.00 6.32 C +ATOM 1177 C GLU A 156 55.191 23.259 -10.770 1.00 5.88 C +ATOM 1178 O GLU A 156 55.597 22.104 -10.669 1.00 5.69 O +ATOM 1179 CB GLU A 156 54.408 24.234 -12.943 1.00 7.52 C +ATOM 1180 CG GLU A 156 53.244 24.531 -13.885 1.00 10.19 C +ATOM 1181 CD GLU A 156 53.668 25.276 -15.133 1.00 11.27 C +ATOM 1182 OE1 GLU A 156 54.669 26.021 -15.070 1.00 12.40 O +ATOM 1183 OE2 GLU A 156 52.986 25.130 -16.172 1.00 12.73 O +ATOM 1184 N ILE A 157 55.773 24.281 -10.150 1.00 5.27 N +ATOM 1185 CA ILE A 157 56.940 24.078 -9.295 1.00 5.18 C +ATOM 1186 C ILE A 157 56.596 23.163 -8.123 1.00 5.05 C +ATOM 1187 O ILE A 157 57.350 22.243 -7.799 1.00 5.13 O +ATOM 1188 CB ILE A 157 57.462 25.421 -8.745 1.00 4.98 C +ATOM 1189 CG1 ILE A 157 57.957 26.297 -9.897 1.00 5.14 C +ATOM 1190 CG2 ILE A 157 58.592 25.179 -7.759 1.00 5.36 C +ATOM 1191 CD1 ILE A 157 58.258 27.728 -9.486 1.00 5.27 C +ATOM 1192 N SER A 158 55.451 23.417 -7.494 1.00 4.96 N +ATOM 1193 CA SER A 158 55.004 22.616 -6.359 1.00 4.85 C +ATOM 1194 C SER A 158 54.833 21.157 -6.760 1.00 4.82 C +ATOM 1195 O SER A 158 55.246 20.249 -6.039 1.00 5.09 O +ATOM 1196 CB SER A 158 53.684 23.167 -5.812 1.00 5.09 C +ATOM 1197 OG SER A 158 53.855 24.482 -5.308 1.00 4.96 O +ATOM 1198 N ILE A 159 54.223 20.930 -7.918 1.00 4.91 N +ATOM 1199 CA ILE A 159 54.012 19.575 -8.403 1.00 4.97 C +ATOM 1200 C ILE A 159 55.340 18.877 -8.689 1.00 5.15 C +ATOM 1201 O ILE A 159 55.549 17.737 -8.277 1.00 4.88 O +ATOM 1202 CB ILE A 159 53.117 19.591 -9.664 1.00 4.98 C +ATOM 1203 CG1 ILE A 159 51.687 19.962 -9.257 1.00 5.43 C +ATOM 1204 CG2 ILE A 159 53.152 18.230 -10.369 1.00 5.12 C +ATOM 1205 CD1 ILE A 159 50.763 20.270 -10.422 1.00 5.26 C +ATOM 1206 N LYS A 160 56.246 19.565 -9.373 1.00 5.47 N +ATOM 1207 CA LYS A 160 57.546 18.981 -9.691 1.00 5.63 C +ATOM 1208 C LYS A 160 58.341 18.649 -8.429 1.00 5.68 C +ATOM 1209 O LYS A 160 59.088 17.667 -8.394 1.00 6.04 O +ATOM 1210 CB LYS A 160 58.349 19.939 -10.578 1.00 6.20 C +ATOM 1211 CG LYS A 160 57.788 20.087 -11.986 1.00 7.28 C +ATOM 1212 CD LYS A 160 58.568 21.108 -12.798 1.00 8.31 C +ATOM 1213 CE LYS A 160 58.027 21.212 -14.217 1.00 9.11 C +ATOM 1214 NZ LYS A 160 58.781 22.201 -15.034 1.00 10.14 N +ATOM 1215 N ALA A 161 58.164 19.466 -7.396 1.00 5.46 N +ATOM 1216 CA ALA A 161 58.863 19.275 -6.131 1.00 5.50 C +ATOM 1217 C ALA A 161 58.277 18.152 -5.273 1.00 5.52 C +ATOM 1218 O ALA A 161 58.851 17.792 -4.249 1.00 5.86 O +ATOM 1219 CB ALA A 161 58.879 20.585 -5.347 1.00 5.76 C +ATOM 1220 N GLY A 162 57.131 17.613 -5.678 1.00 5.07 N +ATOM 1221 CA GLY A 162 56.537 16.515 -4.933 1.00 4.96 C +ATOM 1222 C GLY A 162 55.237 16.743 -4.183 1.00 4.82 C +ATOM 1223 O GLY A 162 54.850 15.902 -3.376 1.00 5.19 O +ATOM 1224 N ALA A 163 54.549 17.851 -4.435 1.00 4.89 N +ATOM 1225 CA ALA A 163 53.287 18.113 -3.745 1.00 4.69 C +ATOM 1226 C ALA A 163 52.268 16.998 -3.969 1.00 4.62 C +ATOM 1227 O ALA A 163 52.105 16.516 -5.093 1.00 4.67 O +ATOM 1228 CB ALA A 163 52.700 19.430 -4.222 1.00 4.68 C +ATOM 1229 N ASP A 164 51.575 16.595 -2.904 1.00 4.69 N +ATOM 1230 CA ASP A 164 50.547 15.559 -3.020 1.00 4.64 C +ATOM 1231 C ASP A 164 49.204 16.228 -3.312 1.00 4.66 C +ATOM 1232 O ASP A 164 48.271 15.588 -3.798 1.00 4.70 O +ATOM 1233 CB ASP A 164 50.450 14.737 -1.733 1.00 4.88 C +ATOM 1234 CG ASP A 164 51.737 13.993 -1.419 1.00 5.18 C +ATOM 1235 OD1 ASP A 164 52.271 13.309 -2.318 1.00 5.96 O +ATOM 1236 OD2 ASP A 164 52.217 14.078 -0.270 1.00 5.41 O +ATOM 1237 N PHE A 165 49.130 17.521 -2.999 1.00 4.55 N +ATOM 1238 CA PHE A 165 47.947 18.356 -3.221 1.00 4.82 C +ATOM 1239 C PHE A 165 48.438 19.778 -3.456 1.00 4.76 C +ATOM 1240 O PHE A 165 49.468 20.177 -2.913 1.00 4.64 O +ATOM 1241 CB PHE A 165 47.077 18.475 -1.960 1.00 5.48 C +ATOM 1242 CG PHE A 165 46.007 17.438 -1.809 1.00 6.11 C +ATOM 1243 CD1 PHE A 165 46.289 16.202 -1.243 1.00 6.56 C +ATOM 1244 CD2 PHE A 165 44.689 17.739 -2.140 1.00 6.28 C +ATOM 1245 CE1 PHE A 165 45.273 15.284 -1.000 1.00 7.21 C +ATOM 1246 CE2 PHE A 165 43.668 16.830 -1.901 1.00 6.96 C +ATOM 1247 CZ PHE A 165 43.960 15.600 -1.328 1.00 7.16 C +ATOM 1248 N ILE A 166 47.709 20.539 -4.261 1.00 4.82 N +ATOM 1249 CA ILE A 166 48.027 21.954 -4.401 1.00 4.60 C +ATOM 1250 C ILE A 166 46.758 22.633 -3.886 1.00 4.66 C +ATOM 1251 O ILE A 166 45.638 22.259 -4.246 1.00 4.87 O +ATOM 1252 CB ILE A 166 48.410 22.398 -5.849 1.00 5.00 C +ATOM 1253 CG1 ILE A 166 47.383 21.939 -6.882 1.00 5.07 C +ATOM 1254 CG2 ILE A 166 49.806 21.875 -6.172 1.00 5.05 C +ATOM 1255 CD1 ILE A 166 47.686 22.473 -8.284 1.00 5.57 C +ATOM 1256 N LYS A 167 46.960 23.608 -3.008 1.00 4.75 N +ATOM 1257 CA LYS A 167 45.885 24.323 -2.333 1.00 4.74 C +ATOM 1258 C LYS A 167 45.907 25.806 -2.695 1.00 4.67 C +ATOM 1259 O LYS A 167 46.968 26.415 -2.777 1.00 4.72 O +ATOM 1260 CB LYS A 167 46.071 24.101 -0.826 1.00 4.83 C +ATOM 1261 CG LYS A 167 45.136 24.826 0.116 1.00 5.23 C +ATOM 1262 CD LYS A 167 45.395 24.339 1.540 1.00 5.55 C +ATOM 1263 CE LYS A 167 44.720 25.233 2.563 1.00 5.94 C +ATOM 1264 NZ LYS A 167 45.062 24.861 3.969 1.00 6.49 N +ATOM 1265 N THR A 168 44.733 26.391 -2.899 1.00 4.85 N +ATOM 1266 CA THR A 168 44.670 27.789 -3.307 1.00 4.93 C +ATOM 1267 C THR A 168 45.141 28.850 -2.333 1.00 5.05 C +ATOM 1268 O THR A 168 45.942 29.712 -2.701 1.00 4.90 O +ATOM 1269 CB THR A 168 43.232 28.217 -3.714 1.00 4.95 C +ATOM 1270 OG1 THR A 168 42.380 28.218 -2.560 1.00 4.71 O +ATOM 1271 CG2 THR A 168 42.660 27.286 -4.764 1.00 5.13 C +ATOM 1272 N SER A 169 44.679 28.776 -1.086 1.00 5.32 N +ATOM 1273 CA SER A 169 44.970 29.855 -0.154 1.00 5.32 C +ATOM 1274 C SER A 169 45.081 29.508 1.324 1.00 5.45 C +ATOM 1275 O SER A 169 44.762 28.399 1.746 1.00 5.27 O +ATOM 1276 CB SER A 169 43.870 30.908 -0.318 1.00 5.60 C +ATOM 1277 OG SER A 169 43.319 30.880 -1.632 1.00 5.36 O +ATOM 1278 N THR A 170 45.516 30.497 2.105 1.00 5.46 N +ATOM 1279 CA THR A 170 45.657 30.357 3.555 1.00 5.57 C +ATOM 1280 C THR A 170 44.385 30.781 4.276 1.00 5.95 C +ATOM 1281 O THR A 170 44.149 30.378 5.417 1.00 6.24 O +ATOM 1282 CB THR A 170 46.765 31.263 4.128 1.00 5.20 C +ATOM 1283 OG1 THR A 170 46.452 32.632 3.835 1.00 5.28 O +ATOM 1284 CG2 THR A 170 48.124 30.907 3.556 1.00 5.34 C +ATOM 1285 N GLY A 171 43.583 31.609 3.611 1.00 6.35 N +ATOM 1286 CA GLY A 171 42.369 32.118 4.218 1.00 6.83 C +ATOM 1287 C GLY A 171 42.713 33.313 5.092 1.00 7.24 C +ATOM 1288 O GLY A 171 41.840 33.885 5.747 1.00 7.49 O +ATOM 1289 N LYS A 172 43.988 33.696 5.096 1.00 7.35 N +ATOM 1290 CA LYS A 172 44.459 34.813 5.911 1.00 7.56 C +ATOM 1291 C LYS A 172 44.701 36.099 5.136 1.00 7.74 C +ATOM 1292 O LYS A 172 45.152 37.097 5.699 1.00 7.87 O +ATOM 1293 CB LYS A 172 45.723 34.408 6.668 1.00 8.12 C +ATOM 1294 CG LYS A 172 45.503 33.230 7.605 1.00 8.60 C +ATOM 1295 CD LYS A 172 44.408 33.527 8.615 1.00 9.89 C +ATOM 1296 CE LYS A 172 44.207 32.355 9.561 1.00 10.56 C +ATOM 1297 NZ LYS A 172 43.108 32.629 10.522 1.00 11.76 N +ATOM 1298 N VAL A 173 44.421 36.071 3.838 1.00 7.59 N +ATOM 1299 CA VAL A 173 44.552 37.262 3.014 1.00 7.94 C +ATOM 1300 C VAL A 173 43.150 37.572 2.497 1.00 8.12 C +ATOM 1301 O VAL A 173 42.237 36.758 2.642 1.00 8.27 O +ATOM 1302 CB VAL A 173 45.543 37.057 1.843 1.00 7.87 C +ATOM 1303 CG1 VAL A 173 46.958 36.923 2.392 1.00 7.99 C +ATOM 1304 CG2 VAL A 173 45.164 35.829 1.032 1.00 7.95 C +ATOM 1305 N ALA A 174 42.977 38.748 1.907 1.00 8.55 N +ATOM 1306 CA ALA A 174 41.673 39.171 1.411 1.00 8.61 C +ATOM 1307 C ALA A 174 41.030 38.244 0.386 1.00 8.50 C +ATOM 1308 O ALA A 174 39.883 37.825 0.551 1.00 8.84 O +ATOM 1309 CB ALA A 174 41.770 40.587 0.842 1.00 9.06 C +ATOM 1310 N VAL A 175 41.762 37.931 -0.678 1.00 8.15 N +ATOM 1311 CA VAL A 175 41.231 37.070 -1.723 1.00 7.77 C +ATOM 1312 C VAL A 175 41.789 35.666 -1.593 1.00 7.29 C +ATOM 1313 O VAL A 175 43.004 35.464 -1.560 1.00 7.01 O +ATOM 1314 CB VAL A 175 41.565 37.621 -3.126 1.00 8.04 C +ATOM 1315 CG1 VAL A 175 41.016 36.692 -4.200 1.00 8.31 C +ATOM 1316 CG2 VAL A 175 40.969 39.012 -3.289 1.00 8.10 C +ATOM 1317 N ASN A 176 40.886 34.700 -1.514 1.00 7.08 N +ATOM 1318 CA ASN A 176 41.273 33.311 -1.386 1.00 6.84 C +ATOM 1319 C ASN A 176 40.771 32.502 -2.580 1.00 6.82 C +ATOM 1320 O ASN A 176 40.993 32.899 -3.720 1.00 6.77 O +ATOM 1321 CB ASN A 176 40.760 32.781 -0.046 1.00 6.97 C +ATOM 1322 CG ASN A 176 41.400 33.504 1.128 1.00 7.05 C +ATOM 1323 OD1 ASN A 176 42.574 33.290 1.436 1.00 6.48 O +ATOM 1324 ND2 ASN A 176 40.642 34.391 1.767 1.00 7.38 N +ATOM 1325 N ALA A 177 40.098 31.385 -2.344 1.00 6.86 N +ATOM 1326 CA ALA A 177 39.628 30.582 -3.468 1.00 6.80 C +ATOM 1327 C ALA A 177 38.625 31.305 -4.363 1.00 6.89 C +ATOM 1328 O ALA A 177 37.766 32.043 -3.883 1.00 6.85 O +ATOM 1329 CB ALA A 177 39.003 29.287 -2.963 1.00 6.85 C +ATOM 1330 N THR A 178 38.761 31.101 -5.669 1.00 6.87 N +ATOM 1331 CA THR A 178 37.821 31.649 -6.645 1.00 7.04 C +ATOM 1332 C THR A 178 37.684 30.567 -7.704 1.00 7.12 C +ATOM 1333 O THR A 178 38.591 29.752 -7.889 1.00 6.74 O +ATOM 1334 CB THR A 178 38.315 32.937 -7.360 1.00 7.24 C +ATOM 1335 OG1 THR A 178 39.399 32.617 -8.241 1.00 7.86 O +ATOM 1336 CG2 THR A 178 38.741 33.988 -6.358 1.00 7.58 C +ATOM 1337 N PRO A 179 36.539 30.524 -8.399 1.00 7.25 N +ATOM 1338 CA PRO A 179 36.368 29.503 -9.434 1.00 7.47 C +ATOM 1339 C PRO A 179 37.443 29.608 -10.516 1.00 7.61 C +ATOM 1340 O PRO A 179 37.875 28.595 -11.060 1.00 7.48 O +ATOM 1341 CB PRO A 179 34.965 29.788 -9.963 1.00 7.53 C +ATOM 1342 CG PRO A 179 34.252 30.248 -8.726 1.00 7.63 C +ATOM 1343 CD PRO A 179 35.260 31.199 -8.113 1.00 7.41 C +ATOM 1344 N GLU A 180 37.872 30.830 -10.827 1.00 7.87 N +ATOM 1345 CA GLU A 180 38.905 31.037 -11.841 1.00 8.23 C +ATOM 1346 C GLU A 180 40.246 30.458 -11.391 1.00 7.99 C +ATOM 1347 O GLU A 180 40.923 29.773 -12.155 1.00 7.59 O +ATOM 1348 CB GLU A 180 39.064 32.531 -12.149 1.00 9.39 C +ATOM 1349 CG GLU A 180 40.256 32.865 -13.050 1.00 11.43 C +ATOM 1350 CD GLU A 180 40.117 32.333 -14.467 1.00 12.71 C +ATOM 1351 OE1 GLU A 180 39.201 31.520 -14.723 1.00 13.78 O +ATOM 1352 OE2 GLU A 180 40.935 32.725 -15.330 1.00 13.95 O +ATOM 1353 N SER A 181 40.632 30.729 -10.148 1.00 7.74 N +ATOM 1354 CA SER A 181 41.893 30.208 -9.630 1.00 7.92 C +ATOM 1355 C SER A 181 41.867 28.686 -9.566 1.00 7.44 C +ATOM 1356 O SER A 181 42.861 28.029 -9.875 1.00 7.20 O +ATOM 1357 CB SER A 181 42.176 30.775 -8.239 1.00 8.64 C +ATOM 1358 OG SER A 181 42.492 32.149 -8.315 1.00 10.40 O +ATOM 1359 N ALA A 182 40.729 28.126 -9.166 1.00 7.19 N +ATOM 1360 CA ALA A 182 40.583 26.680 -9.073 1.00 7.18 C +ATOM 1361 C ALA A 182 40.733 26.044 -10.451 1.00 7.19 C +ATOM 1362 O ALA A 182 41.373 25.005 -10.597 1.00 7.47 O +ATOM 1363 CB ALA A 182 39.223 26.323 -8.474 1.00 7.26 C +ATOM 1364 N ARG A 183 40.146 26.672 -11.464 1.00 7.24 N +ATOM 1365 CA ARG A 183 40.232 26.146 -12.819 1.00 7.15 C +ATOM 1366 C ARG A 183 41.671 26.192 -13.327 1.00 6.84 C +ATOM 1367 O ARG A 183 42.143 25.236 -13.936 1.00 6.70 O +ATOM 1368 CB ARG A 183 39.316 26.934 -13.759 1.00 7.77 C +ATOM 1369 CG ARG A 183 39.317 26.421 -15.194 1.00 8.93 C +ATOM 1370 CD ARG A 183 38.223 27.095 -16.012 1.00 9.94 C +ATOM 1371 NE ARG A 183 36.885 26.639 -15.634 1.00 10.95 N +ATOM 1372 CZ ARG A 183 36.333 25.501 -16.049 1.00 11.25 C +ATOM 1373 NH1 ARG A 183 36.999 24.692 -16.863 1.00 11.76 N +ATOM 1374 NH2 ARG A 183 35.110 25.170 -15.650 1.00 11.93 N +ATOM 1375 N ILE A 184 42.370 27.296 -13.076 1.00 6.23 N +ATOM 1376 CA ILE A 184 43.757 27.418 -13.520 1.00 6.07 C +ATOM 1377 C ILE A 184 44.622 26.331 -12.885 1.00 5.96 C +ATOM 1378 O ILE A 184 45.390 25.655 -13.565 1.00 5.89 O +ATOM 1379 CB ILE A 184 44.344 28.801 -13.160 1.00 6.17 C +ATOM 1380 CG1 ILE A 184 43.609 29.899 -13.934 1.00 6.61 C +ATOM 1381 CG2 ILE A 184 45.829 28.837 -13.486 1.00 6.32 C +ATOM 1382 CD1 ILE A 184 43.924 31.305 -13.453 1.00 7.12 C +ATOM 1383 N MET A 185 44.492 26.164 -11.575 1.00 5.70 N +ATOM 1384 CA MET A 185 45.273 25.160 -10.872 1.00 5.63 C +ATOM 1385 C MET A 185 44.938 23.738 -11.311 1.00 5.72 C +ATOM 1386 O MET A 185 45.835 22.910 -11.458 1.00 5.49 O +ATOM 1387 CB MET A 185 45.088 25.319 -9.360 1.00 5.48 C +ATOM 1388 CG MET A 185 45.737 26.589 -8.822 1.00 5.38 C +ATOM 1389 SD MET A 185 45.521 26.816 -7.050 1.00 5.25 S +ATOM 1390 CE MET A 185 46.641 25.550 -6.417 1.00 5.67 C +ATOM 1391 N MET A 186 43.659 23.445 -11.530 1.00 5.98 N +ATOM 1392 CA MET A 186 43.293 22.104 -11.964 1.00 6.31 C +ATOM 1393 C MET A 186 43.738 21.878 -13.406 1.00 6.34 C +ATOM 1394 O MET A 186 44.039 20.748 -13.795 1.00 6.11 O +ATOM 1395 CB MET A 186 41.785 21.860 -11.809 1.00 6.69 C +ATOM 1396 CG MET A 186 41.332 21.795 -10.347 1.00 7.86 C +ATOM 1397 SD MET A 186 39.685 21.073 -10.111 1.00 8.94 S +ATOM 1398 CE MET A 186 40.116 19.408 -9.801 1.00 9.84 C +ATOM 1399 N GLU A 187 43.794 22.946 -14.198 1.00 6.56 N +ATOM 1400 CA GLU A 187 44.250 22.818 -15.579 1.00 7.16 C +ATOM 1401 C GLU A 187 45.729 22.441 -15.574 1.00 6.76 C +ATOM 1402 O GLU A 187 46.190 21.723 -16.456 1.00 6.87 O +ATOM 1403 CB GLU A 187 44.058 24.123 -16.358 1.00 8.05 C +ATOM 1404 CG GLU A 187 42.614 24.478 -16.674 1.00 9.94 C +ATOM 1405 CD GLU A 187 42.495 25.802 -17.404 1.00 11.14 C +ATOM 1406 OE1 GLU A 187 43.310 26.707 -17.129 1.00 12.74 O +ATOM 1407 OE2 GLU A 187 41.579 25.950 -18.237 1.00 12.04 O +ATOM 1408 N VAL A 188 46.479 22.925 -14.585 1.00 6.49 N +ATOM 1409 CA VAL A 188 47.896 22.582 -14.499 1.00 6.43 C +ATOM 1410 C VAL A 188 48.014 21.088 -14.193 1.00 6.32 C +ATOM 1411 O VAL A 188 48.818 20.383 -14.803 1.00 6.21 O +ATOM 1412 CB VAL A 188 48.619 23.407 -13.403 1.00 6.33 C +ATOM 1413 CG1 VAL A 188 50.044 22.892 -13.211 1.00 6.63 C +ATOM 1414 CG2 VAL A 188 48.655 24.877 -13.806 1.00 6.77 C +ATOM 1415 N ILE A 189 47.206 20.604 -13.255 1.00 6.14 N +ATOM 1416 CA ILE A 189 47.216 19.185 -12.911 1.00 6.03 C +ATOM 1417 C ILE A 189 46.912 18.379 -14.178 1.00 6.23 C +ATOM 1418 O ILE A 189 47.580 17.387 -14.480 1.00 5.96 O +ATOM 1419 CB ILE A 189 46.156 18.867 -11.832 1.00 5.91 C +ATOM 1420 CG1 ILE A 189 46.555 19.525 -10.507 1.00 5.82 C +ATOM 1421 CG2 ILE A 189 45.990 17.352 -11.674 1.00 5.87 C +ATOM 1422 CD1 ILE A 189 45.514 19.377 -9.421 1.00 5.65 C +ATOM 1423 N ARG A 190 45.903 18.816 -14.926 1.00 6.51 N +ATOM 1424 CA ARG A 190 45.529 18.131 -16.154 1.00 7.31 C +ATOM 1425 C ARG A 190 46.629 18.192 -17.205 1.00 7.21 C +ATOM 1426 O ARG A 190 47.013 17.169 -17.771 1.00 7.32 O +ATOM 1427 CB ARG A 190 44.264 18.744 -16.742 1.00 7.90 C +ATOM 1428 CG ARG A 190 43.808 18.041 -18.013 1.00 9.19 C +ATOM 1429 CD ARG A 190 42.871 18.909 -18.813 1.00 10.61 C +ATOM 1430 NE ARG A 190 43.497 20.175 -19.177 1.00 11.63 N +ATOM 1431 CZ ARG A 190 42.834 21.199 -19.700 1.00 12.07 C +ATOM 1432 NH1 ARG A 190 41.531 21.092 -19.915 1.00 12.92 N +ATOM 1433 NH2 ARG A 190 43.465 22.327 -19.996 1.00 12.28 N +ATOM 1434 N ASP A 191 47.130 19.394 -17.466 1.00 7.26 N +ATOM 1435 CA ASP A 191 48.165 19.580 -18.476 1.00 7.45 C +ATOM 1436 C ASP A 191 49.451 18.821 -18.175 1.00 7.45 C +ATOM 1437 O ASP A 191 50.108 18.316 -19.088 1.00 7.78 O +ATOM 1438 CB ASP A 191 48.468 21.071 -18.659 1.00 7.78 C +ATOM 1439 CG ASP A 191 47.286 21.845 -19.224 1.00 8.54 C +ATOM 1440 OD1 ASP A 191 46.402 21.222 -19.847 1.00 8.86 O +ATOM 1441 OD2 ASP A 191 47.250 23.080 -19.055 1.00 9.44 O +ATOM 1442 N MET A 192 49.814 18.740 -16.901 1.00 7.09 N +ATOM 1443 CA MET A 192 51.023 18.022 -16.516 1.00 6.82 C +ATOM 1444 C MET A 192 50.760 16.519 -16.465 1.00 6.60 C +ATOM 1445 O MET A 192 51.698 15.722 -16.438 1.00 6.80 O +ATOM 1446 CB MET A 192 51.534 18.525 -15.160 1.00 6.98 C +ATOM 1447 CG MET A 192 52.061 19.953 -15.209 1.00 7.17 C +ATOM 1448 SD MET A 192 52.786 20.510 -13.652 1.00 7.75 S +ATOM 1449 CE MET A 192 54.385 19.713 -13.696 1.00 7.93 C +ATOM 1450 N GLY A 193 49.482 16.144 -16.472 1.00 6.23 N +ATOM 1451 CA GLY A 193 49.098 14.741 -16.435 1.00 6.20 C +ATOM 1452 C GLY A 193 49.321 14.059 -15.098 1.00 6.18 C +ATOM 1453 O GLY A 193 49.527 12.847 -15.038 1.00 6.35 O +ATOM 1454 N VAL A 194 49.247 14.828 -14.018 1.00 6.16 N +ATOM 1455 CA VAL A 194 49.480 14.291 -12.681 1.00 6.26 C +ATOM 1456 C VAL A 194 48.225 14.117 -11.827 1.00 6.50 C +ATOM 1457 O VAL A 194 48.320 14.039 -10.603 1.00 6.24 O +ATOM 1458 CB VAL A 194 50.478 15.192 -11.904 1.00 6.01 C +ATOM 1459 CG1 VAL A 194 51.794 15.287 -12.670 1.00 5.95 C +ATOM 1460 CG2 VAL A 194 49.878 16.583 -11.686 1.00 6.01 C +ATOM 1461 N GLU A 195 47.055 14.033 -12.454 1.00 7.08 N +ATOM 1462 CA GLU A 195 45.824 13.898 -11.679 1.00 7.82 C +ATOM 1463 C GLU A 195 45.770 12.670 -10.776 1.00 7.87 C +ATOM 1464 O GLU A 195 45.052 12.668 -9.782 1.00 7.84 O +ATOM 1465 CB GLU A 195 44.590 13.905 -12.590 1.00 8.59 C +ATOM 1466 CG GLU A 195 44.467 12.687 -13.475 1.00 10.09 C +ATOM 1467 CD GLU A 195 45.064 12.900 -14.850 1.00 10.94 C +ATOM 1468 OE1 GLU A 195 45.962 13.758 -14.997 1.00 11.32 O +ATOM 1469 OE2 GLU A 195 44.634 12.199 -15.790 1.00 12.19 O +ATOM 1470 N LYS A 196 46.521 11.625 -11.102 1.00 7.71 N +ATOM 1471 CA LYS A 196 46.500 10.433 -10.263 1.00 8.02 C +ATOM 1472 C LYS A 196 47.285 10.608 -8.963 1.00 7.59 C +ATOM 1473 O LYS A 196 46.961 9.987 -7.951 1.00 7.73 O +ATOM 1474 CB LYS A 196 47.049 9.228 -11.032 1.00 8.99 C +ATOM 1475 CG LYS A 196 46.149 8.753 -12.163 1.00 10.31 C +ATOM 1476 CD LYS A 196 46.763 7.562 -12.880 1.00 11.56 C +ATOM 1477 CE LYS A 196 45.842 7.031 -13.964 1.00 12.48 C +ATOM 1478 NZ LYS A 196 44.567 6.525 -13.390 1.00 13.53 N +ATOM 1479 N THR A 197 48.296 11.471 -8.980 1.00 7.06 N +ATOM 1480 CA THR A 197 49.140 11.674 -7.807 1.00 6.97 C +ATOM 1481 C THR A 197 49.007 13.027 -7.115 1.00 6.48 C +ATOM 1482 O THR A 197 49.574 13.233 -6.040 1.00 6.70 O +ATOM 1483 CB THR A 197 50.624 11.478 -8.177 1.00 6.75 C +ATOM 1484 OG1 THR A 197 50.952 12.322 -9.290 1.00 7.28 O +ATOM 1485 CG2 THR A 197 50.898 10.022 -8.544 1.00 7.16 C +ATOM 1486 N VAL A 198 48.262 13.947 -7.714 1.00 6.21 N +ATOM 1487 CA VAL A 198 48.108 15.273 -7.124 1.00 6.06 C +ATOM 1488 C VAL A 198 46.645 15.685 -6.992 1.00 5.85 C +ATOM 1489 O VAL A 198 45.900 15.696 -7.975 1.00 6.19 O +ATOM 1490 CB VAL A 198 48.856 16.345 -7.964 1.00 5.94 C +ATOM 1491 CG1 VAL A 198 48.736 17.712 -7.300 1.00 6.16 C +ATOM 1492 CG2 VAL A 198 50.324 15.958 -8.124 1.00 6.08 C +ATOM 1493 N GLY A 199 46.240 16.021 -5.770 1.00 5.47 N +ATOM 1494 CA GLY A 199 44.874 16.446 -5.533 1.00 5.29 C +ATOM 1495 C GLY A 199 44.746 17.957 -5.526 1.00 4.83 C +ATOM 1496 O GLY A 199 45.747 18.677 -5.605 1.00 4.75 O +ATOM 1497 N PHE A 200 43.511 18.442 -5.431 1.00 4.67 N +ATOM 1498 CA PHE A 200 43.257 19.877 -5.400 1.00 4.54 C +ATOM 1499 C PHE A 200 42.429 20.257 -4.180 1.00 4.51 C +ATOM 1500 O PHE A 200 41.516 19.530 -3.779 1.00 4.82 O +ATOM 1501 CB PHE A 200 42.526 20.328 -6.667 1.00 4.37 C +ATOM 1502 CG PHE A 200 42.161 21.782 -6.658 1.00 4.24 C +ATOM 1503 CD1 PHE A 200 43.150 22.759 -6.626 1.00 4.34 C +ATOM 1504 CD2 PHE A 200 40.828 22.175 -6.622 1.00 4.29 C +ATOM 1505 CE1 PHE A 200 42.817 24.108 -6.553 1.00 4.69 C +ATOM 1506 CE2 PHE A 200 40.484 23.517 -6.550 1.00 4.83 C +ATOM 1507 CZ PHE A 200 41.480 24.487 -6.513 1.00 4.61 C +ATOM 1508 N LYS A 201 42.749 21.406 -3.595 1.00 4.56 N +ATOM 1509 CA LYS A 201 42.027 21.870 -2.429 1.00 4.55 C +ATOM 1510 C LYS A 201 41.726 23.364 -2.441 1.00 4.76 C +ATOM 1511 O LYS A 201 42.607 24.187 -2.188 1.00 4.64 O +ATOM 1512 CB LYS A 201 42.801 21.512 -1.147 1.00 4.59 C +ATOM 1513 CG LYS A 201 42.158 22.030 0.141 1.00 4.82 C +ATOM 1514 CD LYS A 201 42.927 21.595 1.383 1.00 4.78 C +ATOM 1515 CE LYS A 201 42.328 22.215 2.646 1.00 4.94 C +ATOM 1516 NZ LYS A 201 43.094 21.867 3.885 1.00 5.11 N +ATOM 1517 N PRO A 202 40.487 23.740 -2.798 1.00 4.96 N +ATOM 1518 CA PRO A 202 40.169 25.170 -2.787 1.00 5.09 C +ATOM 1519 C PRO A 202 39.990 25.504 -1.306 1.00 5.37 C +ATOM 1520 O PRO A 202 39.377 24.732 -0.564 1.00 5.32 O +ATOM 1521 CB PRO A 202 38.862 25.245 -3.573 1.00 5.25 C +ATOM 1522 CG PRO A 202 38.225 23.919 -3.301 1.00 5.22 C +ATOM 1523 CD PRO A 202 39.381 22.952 -3.369 1.00 5.17 C +ATOM 1524 N ALA A 203 40.535 26.630 -0.864 1.00 5.57 N +ATOM 1525 CA ALA A 203 40.425 26.987 0.540 1.00 6.10 C +ATOM 1526 C ALA A 203 40.235 28.474 0.763 1.00 6.49 C +ATOM 1527 O ALA A 203 40.734 29.299 -0.003 1.00 6.28 O +ATOM 1528 CB ALA A 203 41.666 26.504 1.294 1.00 6.05 C +ATOM 1529 N GLY A 204 39.499 28.799 1.822 1.00 7.12 N +ATOM 1530 CA GLY A 204 39.251 30.183 2.174 1.00 8.32 C +ATOM 1531 C GLY A 204 38.066 30.822 1.482 1.00 8.85 C +ATOM 1532 O GLY A 204 37.999 30.866 0.254 1.00 8.98 O +ATOM 1533 N GLY A 205 37.124 31.314 2.282 1.00 9.54 N +ATOM 1534 CA GLY A 205 35.952 31.974 1.736 1.00 10.35 C +ATOM 1535 C GLY A 205 34.881 31.097 1.113 1.00 10.78 C +ATOM 1536 O GLY A 205 33.879 31.619 0.631 1.00 11.23 O +ATOM 1537 N VAL A 206 35.077 29.781 1.103 1.00 11.05 N +ATOM 1538 CA VAL A 206 34.077 28.878 0.532 1.00 11.47 C +ATOM 1539 C VAL A 206 33.012 28.709 1.611 1.00 11.75 C +ATOM 1540 O VAL A 206 33.163 27.903 2.532 1.00 11.93 O +ATOM 1541 CB VAL A 206 34.700 27.509 0.173 1.00 11.32 C +ATOM 1542 CG1 VAL A 206 33.675 26.637 -0.539 1.00 11.60 C +ATOM 1543 CG2 VAL A 206 35.931 27.717 -0.704 1.00 11.45 C +ATOM 1544 N ARG A 207 31.926 29.466 1.484 1.00 12.11 N +ATOM 1545 CA ARG A 207 30.876 29.467 2.495 1.00 12.39 C +ATOM 1546 C ARG A 207 29.547 28.778 2.206 1.00 11.89 C +ATOM 1547 O ARG A 207 28.864 28.370 3.143 1.00 11.88 O +ATOM 1548 CB ARG A 207 30.576 30.917 2.901 1.00 13.46 C +ATOM 1549 CG ARG A 207 31.809 31.768 3.185 1.00 14.82 C +ATOM 1550 CD ARG A 207 31.426 33.193 3.572 1.00 16.06 C +ATOM 1551 NE ARG A 207 32.593 34.061 3.736 1.00 17.22 N +ATOM 1552 CZ ARG A 207 33.389 34.456 2.744 1.00 17.71 C +ATOM 1553 NH1 ARG A 207 33.155 34.066 1.496 1.00 17.85 N +ATOM 1554 NH2 ARG A 207 34.424 35.247 3.001 1.00 18.22 N +ATOM 1555 N THR A 208 29.168 28.641 0.940 1.00 11.47 N +ATOM 1556 CA THR A 208 27.869 28.046 0.633 1.00 11.20 C +ATOM 1557 C THR A 208 27.860 26.746 -0.154 1.00 10.96 C +ATOM 1558 O THR A 208 28.816 26.409 -0.854 1.00 10.56 O +ATOM 1559 CB THR A 208 26.986 29.034 -0.145 1.00 11.24 C +ATOM 1560 OG1 THR A 208 27.459 29.130 -1.493 1.00 11.40 O +ATOM 1561 CG2 THR A 208 27.027 30.412 0.501 1.00 11.34 C +ATOM 1562 N ALA A 209 26.746 26.028 -0.039 1.00 10.69 N +ATOM 1563 CA ALA A 209 26.557 24.772 -0.745 1.00 10.66 C +ATOM 1564 C ALA A 209 26.647 25.050 -2.240 1.00 10.71 C +ATOM 1565 O ALA A 209 27.169 24.241 -3.006 1.00 10.30 O +ATOM 1566 CB ALA A 209 25.196 24.181 -0.401 1.00 10.70 C +ATOM 1567 N GLU A 210 26.128 26.202 -2.655 1.00 10.97 N +ATOM 1568 CA GLU A 210 26.168 26.581 -4.059 1.00 11.38 C +ATOM 1569 C GLU A 210 27.616 26.718 -4.524 1.00 11.20 C +ATOM 1570 O GLU A 210 27.965 26.284 -5.627 1.00 11.22 O +ATOM 1571 CB GLU A 210 25.422 27.899 -4.281 1.00 12.09 C +ATOM 1572 CG GLU A 210 23.903 27.821 -4.149 1.00 13.40 C +ATOM 1573 CD GLU A 210 23.425 27.580 -2.728 1.00 13.90 C +ATOM 1574 OE1 GLU A 210 24.142 27.957 -1.778 1.00 14.43 O +ATOM 1575 OE2 GLU A 210 22.313 27.033 -2.559 1.00 14.92 O +ATOM 1576 N ASP A 211 28.458 27.320 -3.684 1.00 11.11 N +ATOM 1577 CA ASP A 211 29.871 27.487 -4.020 1.00 11.00 C +ATOM 1578 C ASP A 211 30.526 26.125 -4.206 1.00 10.51 C +ATOM 1579 O ASP A 211 31.195 25.878 -5.205 1.00 10.04 O +ATOM 1580 CB ASP A 211 30.635 28.223 -2.913 1.00 12.04 C +ATOM 1581 CG ASP A 211 30.176 29.649 -2.720 1.00 13.00 C +ATOM 1582 OD1 ASP A 211 29.843 30.315 -3.722 1.00 13.92 O +ATOM 1583 OD2 ASP A 211 30.174 30.111 -1.557 1.00 13.90 O +ATOM 1584 N ALA A 212 30.337 25.250 -3.223 1.00 9.95 N +ATOM 1585 CA ALA A 212 30.917 23.912 -3.263 1.00 9.72 C +ATOM 1586 C ALA A 212 30.530 23.179 -4.537 1.00 9.54 C +ATOM 1587 O ALA A 212 31.353 22.499 -5.149 1.00 9.19 O +ATOM 1588 CB ALA A 212 30.470 23.111 -2.042 1.00 9.71 C +ATOM 1589 N GLN A 213 29.271 23.318 -4.936 1.00 9.54 N +ATOM 1590 CA GLN A 213 28.783 22.665 -6.140 1.00 9.71 C +ATOM 1591 C GLN A 213 29.575 23.114 -7.365 1.00 9.72 C +ATOM 1592 O GLN A 213 29.931 22.298 -8.217 1.00 9.65 O +ATOM 1593 CB GLN A 213 27.298 22.972 -6.331 1.00 9.98 C +ATOM 1594 CG GLN A 213 26.685 22.340 -7.561 1.00 10.92 C +ATOM 1595 CD GLN A 213 25.197 22.597 -7.653 1.00 11.53 C +ATOM 1596 OE1 GLN A 213 24.746 23.735 -7.541 1.00 12.16 O +ATOM 1597 NE2 GLN A 213 24.425 21.536 -7.857 1.00 12.06 N +ATOM 1598 N LYS A 214 29.848 24.412 -7.450 1.00 9.82 N +ATOM 1599 CA LYS A 214 30.603 24.969 -8.569 1.00 10.08 C +ATOM 1600 C LYS A 214 32.027 24.419 -8.611 1.00 9.46 C +ATOM 1601 O LYS A 214 32.521 24.040 -9.671 1.00 9.64 O +ATOM 1602 CB LYS A 214 30.651 26.498 -8.472 1.00 11.17 C +ATOM 1603 CG LYS A 214 29.298 27.176 -8.584 1.00 12.82 C +ATOM 1604 CD LYS A 214 29.441 28.691 -8.539 1.00 14.02 C +ATOM 1605 CE LYS A 214 28.093 29.384 -8.686 1.00 14.89 C +ATOM 1606 NZ LYS A 214 27.154 29.014 -7.587 1.00 15.78 N +ATOM 1607 N TYR A 215 32.687 24.378 -7.457 1.00 8.79 N +ATOM 1608 CA TYR A 215 34.050 23.870 -7.398 1.00 8.28 C +ATOM 1609 C TYR A 215 34.131 22.403 -7.811 1.00 8.09 C +ATOM 1610 O TYR A 215 35.042 22.006 -8.536 1.00 7.97 O +ATOM 1611 CB TYR A 215 34.621 24.071 -5.989 1.00 7.93 C +ATOM 1612 CG TYR A 215 35.044 25.499 -5.721 1.00 7.47 C +ATOM 1613 CD1 TYR A 215 36.144 26.049 -6.374 1.00 7.30 C +ATOM 1614 CD2 TYR A 215 34.321 26.313 -4.851 1.00 7.46 C +ATOM 1615 CE1 TYR A 215 36.516 27.377 -6.174 1.00 7.42 C +ATOM 1616 CE2 TYR A 215 34.683 27.646 -4.643 1.00 7.48 C +ATOM 1617 CZ TYR A 215 35.781 28.169 -5.311 1.00 7.41 C +ATOM 1618 OH TYR A 215 36.134 29.487 -5.138 1.00 7.73 O +ATOM 1619 N LEU A 216 33.176 21.599 -7.362 1.00 7.94 N +ATOM 1620 CA LEU A 216 33.177 20.188 -7.727 1.00 7.97 C +ATOM 1621 C LEU A 216 32.859 20.009 -9.204 1.00 8.02 C +ATOM 1622 O LEU A 216 33.350 19.080 -9.840 1.00 7.97 O +ATOM 1623 CB LEU A 216 32.168 19.410 -6.881 1.00 7.99 C +ATOM 1624 CG LEU A 216 32.631 19.099 -5.456 1.00 8.22 C +ATOM 1625 CD1 LEU A 216 31.492 18.500 -4.659 1.00 8.51 C +ATOM 1626 CD2 LEU A 216 33.816 18.143 -5.507 1.00 8.24 C +ATOM 1627 N ALA A 217 32.045 20.903 -9.756 1.00 8.16 N +ATOM 1628 CA ALA A 217 31.687 20.818 -11.167 1.00 8.32 C +ATOM 1629 C ALA A 217 32.921 20.955 -12.061 1.00 8.36 C +ATOM 1630 O ALA A 217 33.012 20.312 -13.109 1.00 8.59 O +ATOM 1631 CB ALA A 217 30.659 21.890 -11.516 1.00 8.61 C +ATOM 1632 N ILE A 218 33.870 21.792 -11.650 1.00 8.33 N +ATOM 1633 CA ILE A 218 35.096 21.986 -12.422 1.00 8.48 C +ATOM 1634 C ILE A 218 35.898 20.685 -12.450 1.00 8.36 C +ATOM 1635 O ILE A 218 36.428 20.289 -13.490 1.00 8.40 O +ATOM 1636 CB ILE A 218 35.984 23.097 -11.810 1.00 8.64 C +ATOM 1637 CG1 ILE A 218 35.223 24.426 -11.789 1.00 8.80 C +ATOM 1638 CG2 ILE A 218 37.273 23.240 -12.615 1.00 8.68 C +ATOM 1639 CD1 ILE A 218 35.959 25.537 -11.066 1.00 9.19 C +ATOM 1640 N ALA A 219 35.989 20.030 -11.298 1.00 8.34 N +ATOM 1641 CA ALA A 219 36.719 18.776 -11.187 1.00 8.37 C +ATOM 1642 C ALA A 219 36.086 17.700 -12.061 1.00 8.56 C +ATOM 1643 O ALA A 219 36.784 16.977 -12.774 1.00 8.34 O +ATOM 1644 CB ALA A 219 36.748 18.318 -9.736 1.00 8.25 C +ATOM 1645 N ASP A 220 34.762 17.595 -12.002 1.00 8.81 N +ATOM 1646 CA ASP A 220 34.052 16.598 -12.796 1.00 9.46 C +ATOM 1647 C ASP A 220 34.263 16.844 -14.286 1.00 9.76 C +ATOM 1648 O ASP A 220 34.439 15.904 -15.055 1.00 9.68 O +ATOM 1649 CB ASP A 220 32.551 16.628 -12.488 1.00 9.66 C +ATOM 1650 CG ASP A 220 32.229 16.185 -11.068 1.00 10.02 C +ATOM 1651 OD1 ASP A 220 33.125 15.655 -10.379 1.00 10.40 O +ATOM 1652 OD2 ASP A 220 31.067 16.362 -10.640 1.00 10.25 O +ATOM 1653 N GLU A 221 34.247 18.111 -14.684 1.00 10.13 N +ATOM 1654 CA GLU A 221 34.426 18.485 -16.083 1.00 10.80 C +ATOM 1655 C GLU A 221 35.803 18.109 -16.608 1.00 10.80 C +ATOM 1656 O GLU A 221 35.932 17.537 -17.689 1.00 10.81 O +ATOM 1657 CB GLU A 221 34.225 19.993 -16.246 1.00 11.43 C +ATOM 1658 CG GLU A 221 34.411 20.514 -17.664 1.00 12.87 C +ATOM 1659 CD GLU A 221 34.477 22.030 -17.719 1.00 13.53 C +ATOM 1660 OE1 GLU A 221 33.589 22.689 -17.140 1.00 14.81 O +ATOM 1661 OE2 GLU A 221 35.417 22.566 -18.343 1.00 14.47 O +ATOM 1662 N LEU A 222 36.833 18.430 -15.833 1.00 10.73 N +ATOM 1663 CA LEU A 222 38.204 18.158 -16.239 1.00 10.85 C +ATOM 1664 C LEU A 222 38.691 16.726 -16.075 1.00 10.83 C +ATOM 1665 O LEU A 222 39.459 16.240 -16.903 1.00 11.08 O +ATOM 1666 CB LEU A 222 39.163 19.083 -15.484 1.00 11.15 C +ATOM 1667 CG LEU A 222 39.055 20.587 -15.743 1.00 11.69 C +ATOM 1668 CD1 LEU A 222 40.051 21.320 -14.858 1.00 11.91 C +ATOM 1669 CD2 LEU A 222 39.327 20.881 -17.207 1.00 12.22 C +ATOM 1670 N PHE A 223 38.246 16.043 -15.027 1.00 10.69 N +ATOM 1671 CA PHE A 223 38.727 14.691 -14.770 1.00 10.72 C +ATOM 1672 C PHE A 223 37.706 13.560 -14.725 1.00 10.88 C +ATOM 1673 O PHE A 223 38.080 12.399 -14.568 1.00 11.05 O +ATOM 1674 CB PHE A 223 39.517 14.699 -13.461 1.00 10.34 C +ATOM 1675 CG PHE A 223 40.629 15.711 -13.434 1.00 10.03 C +ATOM 1676 CD1 PHE A 223 41.705 15.606 -14.309 1.00 10.03 C +ATOM 1677 CD2 PHE A 223 40.598 16.774 -12.538 1.00 10.17 C +ATOM 1678 CE1 PHE A 223 42.733 16.542 -14.291 1.00 10.13 C +ATOM 1679 CE2 PHE A 223 41.623 17.716 -12.515 1.00 10.17 C +ATOM 1680 CZ PHE A 223 42.690 17.598 -13.392 1.00 10.11 C +ATOM 1681 N GLY A 224 36.427 13.884 -14.863 1.00 11.25 N +ATOM 1682 CA GLY A 224 35.411 12.849 -14.802 1.00 11.66 C +ATOM 1683 C GLY A 224 34.783 12.840 -13.422 1.00 12.06 C +ATOM 1684 O GLY A 224 35.436 13.177 -12.435 1.00 11.91 O +ATOM 1685 N ALA A 225 33.521 12.438 -13.347 1.00 12.46 N +ATOM 1686 CA ALA A 225 32.787 12.419 -12.087 1.00 12.85 C +ATOM 1687 C ALA A 225 33.359 11.558 -10.958 1.00 13.04 C +ATOM 1688 O ALA A 225 33.047 11.792 -9.791 1.00 13.29 O +ATOM 1689 CB ALA A 225 31.332 12.018 -12.353 1.00 13.07 C +ATOM 1690 N ASP A 226 34.196 10.578 -11.281 1.00 13.18 N +ATOM 1691 CA ASP A 226 34.744 9.704 -10.244 1.00 13.36 C +ATOM 1692 C ASP A 226 36.109 10.094 -9.685 1.00 12.73 C +ATOM 1693 O ASP A 226 36.600 9.462 -8.749 1.00 13.08 O +ATOM 1694 CB ASP A 226 34.829 8.266 -10.759 1.00 14.61 C +ATOM 1695 CG ASP A 226 33.492 7.732 -11.223 1.00 15.56 C +ATOM 1696 OD1 ASP A 226 32.510 7.826 -10.455 1.00 16.57 O +ATOM 1697 OD2 ASP A 226 33.427 7.210 -12.356 1.00 16.67 O +ATOM 1698 N TRP A 227 36.716 11.134 -10.241 1.00 11.76 N +ATOM 1699 CA TRP A 227 38.039 11.560 -9.800 1.00 10.94 C +ATOM 1700 C TRP A 227 38.139 12.179 -8.406 1.00 10.49 C +ATOM 1701 O TRP A 227 39.052 11.861 -7.649 1.00 10.41 O +ATOM 1702 CB TRP A 227 38.624 12.549 -10.808 1.00 10.58 C +ATOM 1703 CG TRP A 227 40.011 12.992 -10.457 1.00 10.16 C +ATOM 1704 CD1 TRP A 227 41.164 12.279 -10.615 1.00 10.18 C +ATOM 1705 CD2 TRP A 227 40.389 14.235 -9.851 1.00 9.88 C +ATOM 1706 NE1 TRP A 227 42.236 12.999 -10.146 1.00 10.06 N +ATOM 1707 CE2 TRP A 227 41.790 14.203 -9.671 1.00 9.98 C +ATOM 1708 CE3 TRP A 227 39.680 15.370 -9.440 1.00 9.95 C +ATOM 1709 CZ2 TRP A 227 42.498 15.266 -9.101 1.00 9.80 C +ATOM 1710 CZ3 TRP A 227 40.384 16.426 -8.871 1.00 9.75 C +ATOM 1711 CH2 TRP A 227 41.780 16.366 -8.708 1.00 9.86 C +ATOM 1712 N ALA A 228 37.198 13.053 -8.064 1.00 10.02 N +ATOM 1713 CA ALA A 228 37.239 13.762 -6.789 1.00 9.63 C +ATOM 1714 C ALA A 228 36.955 13.018 -5.486 1.00 9.44 C +ATOM 1715 O ALA A 228 35.979 13.323 -4.800 1.00 9.53 O +ATOM 1716 CB ALA A 228 36.345 14.995 -6.875 1.00 9.70 C +ATOM 1717 N ASP A 229 37.808 12.060 -5.133 1.00 9.04 N +ATOM 1718 CA ASP A 229 37.647 11.335 -3.875 1.00 8.48 C +ATOM 1719 C ASP A 229 38.520 12.034 -2.822 1.00 8.05 C +ATOM 1720 O ASP A 229 39.164 13.042 -3.122 1.00 7.80 O +ATOM 1721 CB ASP A 229 38.039 9.855 -4.023 1.00 8.81 C +ATOM 1722 CG ASP A 229 39.429 9.659 -4.593 1.00 9.29 C +ATOM 1723 OD1 ASP A 229 40.301 10.521 -4.376 1.00 9.27 O +ATOM 1724 OD2 ASP A 229 39.656 8.619 -5.250 1.00 9.97 O +ATOM 1725 N ALA A 230 38.544 11.508 -1.600 1.00 7.53 N +ATOM 1726 CA ALA A 230 39.313 12.127 -0.519 1.00 7.26 C +ATOM 1727 C ALA A 230 40.803 12.300 -0.796 1.00 6.87 C +ATOM 1728 O ALA A 230 41.423 13.236 -0.289 1.00 6.97 O +ATOM 1729 CB ALA A 230 39.113 11.345 0.772 1.00 7.47 C +ATOM 1730 N ARG A 231 41.392 11.410 -1.587 1.00 6.48 N +ATOM 1731 CA ARG A 231 42.812 11.526 -1.892 1.00 6.24 C +ATOM 1732 C ARG A 231 43.077 12.595 -2.945 1.00 6.11 C +ATOM 1733 O ARG A 231 44.204 13.073 -3.079 1.00 6.13 O +ATOM 1734 CB ARG A 231 43.370 10.180 -2.380 1.00 6.34 C +ATOM 1735 CG ARG A 231 44.809 10.235 -2.937 1.00 6.20 C +ATOM 1736 CD ARG A 231 45.825 10.661 -1.877 1.00 6.84 C +ATOM 1737 NE ARG A 231 47.192 10.746 -2.396 1.00 6.72 N +ATOM 1738 CZ ARG A 231 47.698 11.792 -3.046 1.00 6.50 C +ATOM 1739 NH1 ARG A 231 46.958 12.869 -3.267 1.00 6.63 N +ATOM 1740 NH2 ARG A 231 48.952 11.762 -3.476 1.00 6.60 N +ATOM 1741 N HIS A 232 42.043 12.996 -3.678 1.00 5.98 N +ATOM 1742 CA HIS A 232 42.240 13.979 -4.734 1.00 5.98 C +ATOM 1743 C HIS A 232 41.507 15.303 -4.624 1.00 5.60 C +ATOM 1744 O HIS A 232 41.735 16.197 -5.442 1.00 5.43 O +ATOM 1745 CB HIS A 232 41.919 13.342 -6.088 1.00 6.53 C +ATOM 1746 CG HIS A 232 42.775 12.156 -6.404 1.00 7.04 C +ATOM 1747 ND1 HIS A 232 42.513 10.894 -5.913 1.00 7.10 N +ATOM 1748 CD2 HIS A 232 43.927 12.053 -7.106 1.00 7.19 C +ATOM 1749 CE1 HIS A 232 43.467 10.067 -6.298 1.00 7.28 C +ATOM 1750 NE2 HIS A 232 44.339 10.745 -7.022 1.00 7.27 N +ATOM 1751 N TYR A 233 40.645 15.448 -3.623 1.00 5.29 N +ATOM 1752 CA TYR A 233 39.907 16.691 -3.482 1.00 5.16 C +ATOM 1753 C TYR A 233 39.512 16.945 -2.038 1.00 4.89 C +ATOM 1754 O TYR A 233 39.110 16.027 -1.332 1.00 4.98 O +ATOM 1755 CB TYR A 233 38.649 16.642 -4.358 1.00 5.59 C +ATOM 1756 CG TYR A 233 38.141 18.003 -4.762 1.00 5.66 C +ATOM 1757 CD1 TYR A 233 37.449 18.813 -3.860 1.00 6.02 C +ATOM 1758 CD2 TYR A 233 38.400 18.505 -6.037 1.00 5.97 C +ATOM 1759 CE1 TYR A 233 37.034 20.092 -4.219 1.00 6.29 C +ATOM 1760 CE2 TYR A 233 37.991 19.780 -6.406 1.00 6.20 C +ATOM 1761 CZ TYR A 233 37.311 20.569 -5.493 1.00 6.32 C +ATOM 1762 OH TYR A 233 36.920 21.840 -5.845 1.00 7.53 O +ATOM 1763 N ARG A 234 39.656 18.193 -1.600 1.00 4.92 N +ATOM 1764 CA ARG A 234 39.268 18.590 -0.248 1.00 4.92 C +ATOM 1765 C ARG A 234 38.800 20.031 -0.253 1.00 5.02 C +ATOM 1766 O ARG A 234 39.276 20.848 -1.044 1.00 5.05 O +ATOM 1767 CB ARG A 234 40.434 18.519 0.742 1.00 5.06 C +ATOM 1768 CG ARG A 234 41.071 17.171 0.921 1.00 4.85 C +ATOM 1769 CD ARG A 234 40.203 16.157 1.644 1.00 5.13 C +ATOM 1770 NE ARG A 234 40.986 14.935 1.740 1.00 5.20 N +ATOM 1771 CZ ARG A 234 41.974 14.751 2.606 1.00 5.53 C +ATOM 1772 NH1 ARG A 234 42.284 15.696 3.487 1.00 5.51 N +ATOM 1773 NH2 ARG A 234 42.720 13.662 2.525 1.00 5.72 N +ATOM 1774 N PHE A 235 37.875 20.339 0.645 1.00 5.10 N +ATOM 1775 CA PHE A 235 37.388 21.701 0.798 1.00 5.53 C +ATOM 1776 C PHE A 235 37.972 22.255 2.095 1.00 5.72 C +ATOM 1777 O PHE A 235 37.716 21.719 3.172 1.00 6.09 O +ATOM 1778 CB PHE A 235 35.859 21.724 0.886 1.00 5.73 C +ATOM 1779 CG PHE A 235 35.173 21.736 -0.451 1.00 5.96 C +ATOM 1780 CD1 PHE A 235 35.170 22.886 -1.234 1.00 6.03 C +ATOM 1781 CD2 PHE A 235 34.553 20.593 -0.937 1.00 6.25 C +ATOM 1782 CE1 PHE A 235 34.559 22.895 -2.484 1.00 5.93 C +ATOM 1783 CE2 PHE A 235 33.939 20.593 -2.187 1.00 6.16 C +ATOM 1784 CZ PHE A 235 33.943 21.742 -2.959 1.00 5.77 C +ATOM 1785 N GLY A 236 38.779 23.305 1.989 1.00 5.85 N +ATOM 1786 CA GLY A 236 39.325 23.926 3.183 1.00 6.48 C +ATOM 1787 C GLY A 236 38.265 24.929 3.593 1.00 6.85 C +ATOM 1788 O GLY A 236 38.181 26.011 3.011 1.00 6.98 O +ATOM 1789 N ALA A 237 37.446 24.579 4.581 1.00 7.54 N +ATOM 1790 CA ALA A 237 36.367 25.464 4.996 1.00 8.16 C +ATOM 1791 C ALA A 237 35.893 25.233 6.421 1.00 8.84 C +ATOM 1792 O ALA A 237 36.319 24.300 7.095 1.00 8.77 O +ATOM 1793 CB ALA A 237 35.190 25.313 4.033 1.00 8.32 C +ATOM 1794 N SER A 238 34.979 26.092 6.861 1.00 9.77 N +ATOM 1795 CA SER A 238 34.433 26.014 8.205 1.00 10.56 C +ATOM 1796 C SER A 238 32.916 26.190 8.202 1.00 10.89 C +ATOM 1797 O SER A 238 32.173 25.214 8.309 1.00 11.17 O +ATOM 1798 CB SER A 238 35.088 27.081 9.083 1.00 10.82 C +ATOM 1799 OG SER A 238 35.050 28.352 8.456 1.00 11.57 O +ATOM 1800 N SER A 239 32.460 27.433 8.069 1.00 11.35 N +ATOM 1801 CA SER A 239 31.029 27.722 8.059 1.00 11.61 C +ATOM 1802 C SER A 239 30.316 26.973 6.938 1.00 11.29 C +ATOM 1803 O SER A 239 29.093 26.812 6.966 1.00 11.80 O +ATOM 1804 CB SER A 239 30.792 29.230 7.911 1.00 12.19 C +ATOM 1805 OG SER A 239 31.324 29.718 6.693 1.00 13.88 O +ATOM 1806 N LEU A 240 31.081 26.512 5.956 1.00 10.58 N +ATOM 1807 CA LEU A 240 30.507 25.780 4.837 1.00 9.77 C +ATOM 1808 C LEU A 240 29.695 24.582 5.313 1.00 9.49 C +ATOM 1809 O LEU A 240 28.629 24.294 4.769 1.00 9.23 O +ATOM 1810 CB LEU A 240 31.609 25.287 3.893 1.00 9.52 C +ATOM 1811 CG LEU A 240 31.138 24.362 2.762 1.00 9.33 C +ATOM 1812 CD1 LEU A 240 30.204 25.127 1.836 1.00 9.49 C +ATOM 1813 CD2 LEU A 240 32.331 23.829 1.986 1.00 9.43 C +ATOM 1814 N LEU A 241 30.192 23.890 6.332 1.00 9.51 N +ATOM 1815 CA LEU A 241 29.509 22.702 6.832 1.00 9.56 C +ATOM 1816 C LEU A 241 28.044 22.934 7.187 1.00 9.82 C +ATOM 1817 O LEU A 241 27.184 22.128 6.825 1.00 9.65 O +ATOM 1818 CB LEU A 241 30.256 22.131 8.038 1.00 9.74 C +ATOM 1819 CG LEU A 241 29.705 20.809 8.578 1.00 10.10 C +ATOM 1820 CD1 LEU A 241 29.568 19.794 7.448 1.00 10.25 C +ATOM 1821 CD2 LEU A 241 30.635 20.290 9.662 1.00 10.55 C +ATOM 1822 N ALA A 242 27.762 24.031 7.884 1.00 9.85 N +ATOM 1823 CA ALA A 242 26.391 24.354 8.271 1.00 10.20 C +ATOM 1824 C ALA A 242 25.508 24.539 7.038 1.00 10.36 C +ATOM 1825 O ALA A 242 24.337 24.147 7.035 1.00 10.47 O +ATOM 1826 CB ALA A 242 26.368 25.622 9.130 1.00 10.50 C +ATOM 1827 N SER A 243 26.070 25.133 5.989 1.00 10.32 N +ATOM 1828 CA SER A 243 25.326 25.360 4.756 1.00 10.27 C +ATOM 1829 C SER A 243 25.014 24.043 4.052 1.00 10.11 C +ATOM 1830 O SER A 243 23.914 23.850 3.532 1.00 9.89 O +ATOM 1831 CB SER A 243 26.121 26.267 3.813 1.00 10.46 C +ATOM 1832 OG SER A 243 25.405 26.494 2.610 1.00 11.03 O +ATOM 1833 N LEU A 244 25.989 23.142 4.030 1.00 10.00 N +ATOM 1834 CA LEU A 244 25.803 21.845 3.393 1.00 10.12 C +ATOM 1835 C LEU A 244 24.729 21.045 4.123 1.00 10.48 C +ATOM 1836 O LEU A 244 23.876 20.421 3.493 1.00 10.39 O +ATOM 1837 CB LEU A 244 27.120 21.062 3.380 1.00 9.75 C +ATOM 1838 CG LEU A 244 28.262 21.705 2.586 1.00 9.30 C +ATOM 1839 CD1 LEU A 244 29.519 20.866 2.727 1.00 9.25 C +ATOM 1840 CD2 LEU A 244 27.872 21.829 1.118 1.00 9.45 C +ATOM 1841 N LEU A 245 24.770 21.061 5.451 1.00 10.87 N +ATOM 1842 CA LEU A 245 23.780 20.330 6.231 1.00 11.47 C +ATOM 1843 C LEU A 245 22.386 20.911 6.026 1.00 11.99 C +ATOM 1844 O LEU A 245 21.402 20.174 5.957 1.00 12.07 O +ATOM 1845 CB LEU A 245 24.156 20.345 7.714 1.00 11.35 C +ATOM 1846 CG LEU A 245 25.356 19.458 8.073 1.00 11.31 C +ATOM 1847 CD1 LEU A 245 25.809 19.747 9.495 1.00 11.42 C +ATOM 1848 CD2 LEU A 245 24.980 17.986 7.909 1.00 11.30 C +ATOM 1849 N LYS A 246 22.299 22.233 5.919 1.00 12.53 N +ATOM 1850 CA LYS A 246 21.009 22.877 5.710 1.00 13.11 C +ATOM 1851 C LYS A 246 20.439 22.440 4.359 1.00 13.23 C +ATOM 1852 O LYS A 246 19.249 22.141 4.240 1.00 13.21 O +ATOM 1853 CB LYS A 246 21.165 24.399 5.759 1.00 13.63 C +ATOM 1854 CG LYS A 246 19.861 25.170 5.631 1.00 14.71 C +ATOM 1855 CD LYS A 246 20.066 26.637 5.971 1.00 15.55 C +ATOM 1856 CE LYS A 246 18.773 27.426 5.862 1.00 16.26 C +ATOM 1857 NZ LYS A 246 18.258 27.457 4.470 1.00 16.82 N +ATOM 1858 N ALA A 247 21.296 22.387 3.345 1.00 13.37 N +ATOM 1859 CA ALA A 247 20.873 21.974 2.011 1.00 13.74 C +ATOM 1860 C ALA A 247 20.355 20.536 2.033 1.00 14.07 C +ATOM 1861 O ALA A 247 19.488 20.163 1.238 1.00 14.31 O +ATOM 1862 CB ALA A 247 22.039 22.091 1.034 1.00 13.60 C +ATOM 1863 N LEU A 248 20.888 19.737 2.951 1.00 14.42 N +ATOM 1864 CA LEU A 248 20.502 18.337 3.084 1.00 14.82 C +ATOM 1865 C LEU A 248 19.306 18.127 4.011 1.00 15.24 C +ATOM 1866 O LEU A 248 18.891 16.993 4.249 1.00 15.41 O +ATOM 1867 CB LEU A 248 21.697 17.518 3.583 1.00 14.60 C +ATOM 1868 CG LEU A 248 22.826 17.319 2.566 1.00 14.44 C +ATOM 1869 CD1 LEU A 248 24.085 16.815 3.262 1.00 14.37 C +ATOM 1870 CD2 LEU A 248 22.366 16.342 1.493 1.00 14.60 C +ATOM 1871 N GLY A 249 18.757 19.220 4.533 1.00 15.76 N +ATOM 1872 CA GLY A 249 17.609 19.121 5.420 1.00 16.47 C +ATOM 1873 C GLY A 249 17.987 18.806 6.853 1.00 16.91 C +ATOM 1874 O GLY A 249 17.144 18.407 7.657 1.00 17.26 O +ATOM 1875 N HIS A 250 19.263 18.988 7.173 1.00 17.16 N +ATOM 1876 CA HIS A 250 19.779 18.725 8.510 1.00 17.56 C +ATOM 1877 C HIS A 250 20.337 19.995 9.139 1.00 17.92 C +ATOM 1878 O HIS A 250 20.112 21.081 8.567 1.00 18.54 O +ATOM 1879 CB HIS A 250 20.872 17.658 8.446 1.00 17.23 C +ATOM 1880 CG HIS A 250 20.351 16.273 8.226 1.00 16.96 C +ATOM 1881 ND1 HIS A 250 20.080 15.409 9.264 1.00 16.89 N +ATOM 1882 CD2 HIS A 250 20.028 15.610 7.090 1.00 16.80 C +ATOM 1883 CE1 HIS A 250 19.615 14.272 8.778 1.00 16.71 C +ATOM 1884 NE2 HIS A 250 19.573 14.368 7.461 1.00 16.75 N +ATOM 1885 OXT HIS A 250 20.992 19.887 10.196 1.00 18.39 O +TER 1886 HIS A 250 +ATOM 1887 N THR B 2 75.868 47.435 47.317 1.00 20.33 N +ATOM 1888 CA THR B 2 76.550 46.644 46.255 1.00 20.11 C +ATOM 1889 C THR B 2 76.010 45.217 46.225 1.00 19.98 C +ATOM 1890 O THR B 2 76.060 44.548 45.194 1.00 20.04 O +ATOM 1891 CB THR B 2 78.078 46.603 46.483 1.00 20.43 C +ATOM 1892 OG1 THR B 2 78.615 47.927 46.364 1.00 20.52 O +ATOM 1893 CG2 THR B 2 78.749 45.699 45.461 1.00 20.47 C +ATOM 1894 N ASP B 3 75.491 44.760 47.360 1.00 19.72 N +ATOM 1895 CA ASP B 3 74.940 43.413 47.464 1.00 19.54 C +ATOM 1896 C ASP B 3 73.783 43.196 46.495 1.00 19.01 C +ATOM 1897 O ASP B 3 73.740 42.189 45.789 1.00 18.89 O +ATOM 1898 CB ASP B 3 74.469 43.149 48.895 1.00 20.20 C +ATOM 1899 CG ASP B 3 75.621 42.925 49.854 1.00 20.80 C +ATOM 1900 OD1 ASP B 3 76.620 43.668 49.769 1.00 21.56 O +ATOM 1901 OD2 ASP B 3 75.522 42.012 50.700 1.00 21.44 O +ATOM 1902 N LEU B 4 72.847 44.139 46.462 1.00 18.34 N +ATOM 1903 CA LEU B 4 71.698 44.024 45.571 1.00 17.59 C +ATOM 1904 C LEU B 4 72.116 44.105 44.108 1.00 17.12 C +ATOM 1905 O LEU B 4 71.542 43.427 43.258 1.00 16.82 O +ATOM 1906 CB LEU B 4 70.662 45.110 45.881 1.00 17.52 C +ATOM 1907 CG LEU B 4 69.368 45.070 45.059 1.00 17.66 C +ATOM 1908 CD1 LEU B 4 68.741 43.683 45.139 1.00 17.59 C +ATOM 1909 CD2 LEU B 4 68.407 46.130 45.573 1.00 17.70 C +ATOM 1910 N LYS B 5 73.109 44.937 43.805 1.00 16.55 N +ATOM 1911 CA LYS B 5 73.581 45.055 42.431 1.00 16.04 C +ATOM 1912 C LYS B 5 74.236 43.746 42.010 1.00 15.45 C +ATOM 1913 O LYS B 5 74.026 43.266 40.899 1.00 15.38 O +ATOM 1914 CB LYS B 5 74.598 46.190 42.297 1.00 16.47 C +ATOM 1915 CG LYS B 5 74.006 47.586 42.345 1.00 17.01 C +ATOM 1916 CD LYS B 5 75.100 48.627 42.155 1.00 17.59 C +ATOM 1917 CE LYS B 5 74.538 50.036 42.140 1.00 17.99 C +ATOM 1918 NZ LYS B 5 75.620 51.050 41.983 1.00 18.60 N +ATOM 1919 N ALA B 6 75.031 43.174 42.908 1.00 14.60 N +ATOM 1920 CA ALA B 6 75.721 41.922 42.630 1.00 13.90 C +ATOM 1921 C ALA B 6 74.728 40.801 42.343 1.00 13.37 C +ATOM 1922 O ALA B 6 74.860 40.084 41.351 1.00 13.22 O +ATOM 1923 CB ALA B 6 76.618 41.542 43.807 1.00 14.02 C +ATOM 1924 N SER B 7 73.727 40.656 43.205 1.00 12.78 N +ATOM 1925 CA SER B 7 72.732 39.607 43.020 1.00 12.27 C +ATOM 1926 C SER B 7 71.876 39.842 41.778 1.00 11.78 C +ATOM 1927 O SER B 7 71.471 38.888 41.113 1.00 11.36 O +ATOM 1928 CB SER B 7 71.832 39.498 44.256 1.00 12.49 C +ATOM 1929 OG SER B 7 71.091 40.686 44.465 1.00 13.21 O +ATOM 1930 N SER B 8 71.609 41.105 41.460 1.00 11.27 N +ATOM 1931 CA SER B 8 70.790 41.434 40.299 1.00 10.91 C +ATOM 1932 C SER B 8 71.471 41.079 38.983 1.00 10.77 C +ATOM 1933 O SER B 8 70.827 40.564 38.070 1.00 10.58 O +ATOM 1934 CB SER B 8 70.426 42.918 40.313 1.00 10.94 C +ATOM 1935 OG SER B 8 69.624 43.228 41.437 1.00 10.99 O +ATOM 1936 N LEU B 9 72.767 41.358 38.875 1.00 10.48 N +ATOM 1937 CA LEU B 9 73.492 41.027 37.656 1.00 10.37 C +ATOM 1938 C LEU B 9 73.548 39.509 37.528 1.00 10.12 C +ATOM 1939 O LEU B 9 73.399 38.961 36.436 1.00 10.14 O +ATOM 1940 CB LEU B 9 74.917 41.591 37.695 1.00 10.78 C +ATOM 1941 CG LEU B 9 75.768 41.313 36.448 1.00 10.95 C +ATOM 1942 CD1 LEU B 9 75.135 41.981 35.233 1.00 11.23 C +ATOM 1943 CD2 LEU B 9 77.185 41.832 36.662 1.00 11.36 C +ATOM 1944 N ARG B 10 73.761 38.831 38.651 1.00 9.86 N +ATOM 1945 CA ARG B 10 73.830 37.377 38.647 1.00 9.70 C +ATOM 1946 C ARG B 10 72.486 36.797 38.209 1.00 9.24 C +ATOM 1947 O ARG B 10 72.434 35.882 37.387 1.00 9.10 O +ATOM 1948 CB ARG B 10 74.190 36.852 40.040 1.00 10.50 C +ATOM 1949 CG ARG B 10 74.524 35.373 40.064 1.00 11.32 C +ATOM 1950 CD ARG B 10 74.702 34.849 41.481 1.00 12.32 C +ATOM 1951 NE ARG B 10 75.266 33.503 41.479 1.00 13.30 N +ATOM 1952 CZ ARG B 10 75.332 32.714 42.547 1.00 13.53 C +ATOM 1953 NH1 ARG B 10 74.862 33.129 43.714 1.00 13.67 N +ATOM 1954 NH2 ARG B 10 75.879 31.509 42.445 1.00 14.03 N +ATOM 1955 N ALA B 11 71.404 37.340 38.759 1.00 8.75 N +ATOM 1956 CA ALA B 11 70.059 36.878 38.431 1.00 8.36 C +ATOM 1957 C ALA B 11 69.738 37.101 36.957 1.00 8.20 C +ATOM 1958 O ALA B 11 69.137 36.243 36.310 1.00 8.08 O +ATOM 1959 CB ALA B 11 69.037 37.594 39.304 1.00 8.27 C +ATOM 1960 N LEU B 12 70.134 38.253 36.428 1.00 7.99 N +ATOM 1961 CA LEU B 12 69.884 38.569 35.028 1.00 7.97 C +ATOM 1962 C LEU B 12 70.488 37.491 34.133 1.00 7.97 C +ATOM 1963 O LEU B 12 69.844 37.003 33.200 1.00 7.84 O +ATOM 1964 CB LEU B 12 70.488 39.937 34.686 1.00 8.02 C +ATOM 1965 CG LEU B 12 70.267 40.505 33.277 1.00 8.05 C +ATOM 1966 CD1 LEU B 12 70.353 42.019 33.334 1.00 8.46 C +ATOM 1967 CD2 LEU B 12 71.290 39.945 32.301 1.00 8.29 C +ATOM 1968 N LYS B 13 71.725 37.110 34.434 1.00 8.08 N +ATOM 1969 CA LYS B 13 72.428 36.108 33.648 1.00 8.08 C +ATOM 1970 C LYS B 13 71.904 34.684 33.844 1.00 7.69 C +ATOM 1971 O LYS B 13 72.347 33.755 33.165 1.00 7.71 O +ATOM 1972 CB LYS B 13 73.927 36.176 33.953 1.00 8.92 C +ATOM 1973 CG LYS B 13 74.558 37.504 33.555 1.00 10.18 C +ATOM 1974 CD LYS B 13 76.039 37.540 33.898 1.00 11.53 C +ATOM 1975 CE LYS B 13 76.696 38.803 33.376 1.00 12.45 C +ATOM 1976 NZ LYS B 13 78.153 38.839 33.690 1.00 13.65 N +ATOM 1977 N LEU B 14 70.962 34.513 34.767 1.00 7.25 N +ATOM 1978 CA LEU B 14 70.370 33.202 35.029 1.00 7.01 C +ATOM 1979 C LEU B 14 68.908 33.187 34.602 1.00 6.74 C +ATOM 1980 O LEU B 14 68.187 32.223 34.848 1.00 6.52 O +ATOM 1981 CB LEU B 14 70.458 32.865 36.519 1.00 6.95 C +ATOM 1982 CG LEU B 14 71.857 32.696 37.108 1.00 7.01 C +ATOM 1983 CD1 LEU B 14 71.758 32.575 38.622 1.00 7.11 C +ATOM 1984 CD2 LEU B 14 72.519 31.468 36.508 1.00 7.06 C +ATOM 1985 N MET B 15 68.467 34.253 33.950 1.00 6.85 N +ATOM 1986 CA MET B 15 67.077 34.333 33.534 1.00 7.05 C +ATOM 1987 C MET B 15 66.685 33.533 32.303 1.00 6.75 C +ATOM 1988 O MET B 15 67.430 33.448 31.326 1.00 6.63 O +ATOM 1989 CB MET B 15 66.673 35.790 33.276 1.00 7.82 C +ATOM 1990 CG MET B 15 66.179 36.562 34.492 1.00 8.60 C +ATOM 1991 SD MET B 15 65.457 38.165 34.034 1.00 10.06 S +ATOM 1992 CE MET B 15 63.871 37.642 33.376 1.00 9.39 C +ATOM 1993 N ASP B 16 65.506 32.925 32.393 1.00 6.65 N +ATOM 1994 CA ASP B 16 64.884 32.233 31.274 1.00 6.36 C +ATOM 1995 C ASP B 16 63.842 33.325 30.989 1.00 6.40 C +ATOM 1996 O ASP B 16 62.757 33.330 31.584 1.00 6.33 O +ATOM 1997 CB ASP B 16 64.179 30.940 31.719 1.00 6.23 C +ATOM 1998 CG ASP B 16 65.083 29.715 31.667 1.00 6.26 C +ATOM 1999 OD1 ASP B 16 66.318 29.865 31.560 1.00 6.56 O +ATOM 2000 OD2 ASP B 16 64.545 28.586 31.747 1.00 6.31 O +ATOM 2001 N LEU B 17 64.195 34.284 30.130 1.00 6.49 N +ATOM 2002 CA LEU B 17 63.289 35.390 29.801 1.00 6.75 C +ATOM 2003 C LEU B 17 62.064 34.796 29.131 1.00 6.70 C +ATOM 2004 O LEU B 17 62.146 34.241 28.037 1.00 6.28 O +ATOM 2005 CB LEU B 17 63.980 36.396 28.881 1.00 7.17 C +ATOM 2006 CG LEU B 17 63.164 37.661 28.590 1.00 7.43 C +ATOM 2007 CD1 LEU B 17 62.817 38.386 29.887 1.00 8.29 C +ATOM 2008 CD2 LEU B 17 63.965 38.571 27.672 1.00 7.81 C +ATOM 2009 N THR B 18 60.921 34.959 29.781 1.00 6.82 N +ATOM 2010 CA THR B 18 59.689 34.332 29.333 1.00 7.08 C +ATOM 2011 C THR B 18 58.506 35.135 28.809 1.00 7.39 C +ATOM 2012 O THR B 18 58.264 36.267 29.210 1.00 7.61 O +ATOM 2013 CB THR B 18 59.148 33.468 30.501 1.00 7.06 C +ATOM 2014 OG1 THR B 18 60.194 32.613 30.972 1.00 7.17 O +ATOM 2015 CG2 THR B 18 57.944 32.630 30.075 1.00 7.29 C +ATOM 2016 N THR B 19 57.779 34.503 27.894 1.00 7.94 N +ATOM 2017 CA THR B 19 56.524 35.024 27.381 1.00 8.22 C +ATOM 2018 C THR B 19 55.726 33.785 26.978 1.00 8.40 C +ATOM 2019 O THR B 19 56.134 33.009 26.112 1.00 8.09 O +ATOM 2020 CB THR B 19 56.666 36.017 26.195 1.00 8.35 C +ATOM 2021 OG1 THR B 19 55.388 36.634 25.978 1.00 9.08 O +ATOM 2022 CG2 THR B 19 57.115 35.324 24.912 1.00 8.98 C +ATOM 2023 N LEU B 20 54.618 33.572 27.678 1.00 9.02 N +ATOM 2024 CA LEU B 20 53.735 32.436 27.434 1.00 10.01 C +ATOM 2025 C LEU B 20 52.315 32.962 27.581 1.00 11.30 C +ATOM 2026 O LEU B 20 51.581 32.571 28.486 1.00 11.90 O +ATOM 2027 CB LEU B 20 53.996 31.324 28.459 1.00 9.12 C +ATOM 2028 CG LEU B 20 55.384 30.669 28.429 1.00 8.40 C +ATOM 2029 CD1 LEU B 20 55.569 29.801 29.672 1.00 8.37 C +ATOM 2030 CD2 LEU B 20 55.552 29.840 27.157 1.00 8.38 C +ATOM 2031 N ASN B 21 51.941 33.865 26.685 1.00 12.64 N +ATOM 2032 CA ASN B 21 50.619 34.469 26.718 1.00 14.08 C +ATOM 2033 C ASN B 21 49.778 34.007 25.538 1.00 14.71 C +ATOM 2034 O ASN B 21 50.306 33.657 24.480 1.00 14.73 O +ATOM 2035 CB ASN B 21 50.742 35.995 26.701 1.00 14.87 C +ATOM 2036 CG ASN B 21 51.432 36.546 27.940 1.00 15.62 C +ATOM 2037 OD1 ASN B 21 51.687 37.747 28.033 1.00 16.85 O +ATOM 2038 ND2 ASN B 21 51.733 35.675 28.898 1.00 16.15 N +ATOM 2039 N ASP B 22 48.464 34.006 25.722 1.00 15.50 N +ATOM 2040 CA ASP B 22 47.562 33.587 24.661 1.00 16.27 C +ATOM 2041 C ASP B 22 47.623 34.525 23.458 1.00 16.24 C +ATOM 2042 O ASP B 22 47.219 34.153 22.360 1.00 16.58 O +ATOM 2043 CB ASP B 22 46.123 33.510 25.183 1.00 17.16 C +ATOM 2044 CG ASP B 22 45.901 32.332 26.113 1.00 17.84 C +ATOM 2045 OD1 ASP B 22 46.354 31.217 25.776 1.00 18.72 O +ATOM 2046 OD2 ASP B 22 45.262 32.515 27.172 1.00 18.81 O +ATOM 2047 N ASP B 23 48.145 35.730 23.664 1.00 16.06 N +ATOM 2048 CA ASP B 23 48.238 36.710 22.588 1.00 15.82 C +ATOM 2049 C ASP B 23 49.634 36.818 21.976 1.00 15.03 C +ATOM 2050 O ASP B 23 49.928 37.772 21.255 1.00 15.17 O +ATOM 2051 CB ASP B 23 47.785 38.082 23.100 1.00 16.81 C +ATOM 2052 CG ASP B 23 48.784 38.714 24.053 1.00 17.66 C +ATOM 2053 OD1 ASP B 23 49.379 37.986 24.876 1.00 18.38 O +ATOM 2054 OD2 ASP B 23 48.965 39.949 23.986 1.00 18.43 O +ATOM 2055 N ASP B 24 50.494 35.842 22.255 1.00 13.95 N +ATOM 2056 CA ASP B 24 51.845 35.867 21.706 1.00 12.67 C +ATOM 2057 C ASP B 24 51.839 35.805 20.185 1.00 11.85 C +ATOM 2058 O ASP B 24 50.973 35.172 19.576 1.00 11.65 O +ATOM 2059 CB ASP B 24 52.684 34.703 22.243 1.00 12.83 C +ATOM 2060 CG ASP B 24 53.147 34.920 23.670 1.00 13.02 C +ATOM 2061 OD1 ASP B 24 53.180 36.083 24.123 1.00 13.40 O +ATOM 2062 OD2 ASP B 24 53.494 33.920 24.330 1.00 13.19 O +ATOM 2063 N THR B 25 52.821 36.465 19.582 1.00 11.02 N +ATOM 2064 CA THR B 25 52.973 36.496 18.132 1.00 10.26 C +ATOM 2065 C THR B 25 54.459 36.415 17.813 1.00 10.00 C +ATOM 2066 O THR B 25 55.296 36.573 18.705 1.00 9.62 O +ATOM 2067 CB THR B 25 52.437 37.808 17.539 1.00 10.09 C +ATOM 2068 OG1 THR B 25 53.223 38.905 18.021 1.00 10.21 O +ATOM 2069 CG2 THR B 25 50.989 38.015 17.937 1.00 10.45 C +ATOM 2070 N ASP B 26 54.785 36.162 16.549 1.00 9.95 N +ATOM 2071 CA ASP B 26 56.180 36.090 16.131 1.00 10.00 C +ATOM 2072 C ASP B 26 56.853 37.419 16.457 1.00 10.05 C +ATOM 2073 O ASP B 26 57.985 37.454 16.928 1.00 9.72 O +ATOM 2074 CB ASP B 26 56.293 35.836 14.620 1.00 10.33 C +ATOM 2075 CG ASP B 26 55.790 34.464 14.208 1.00 10.85 C +ATOM 2076 OD1 ASP B 26 55.725 33.558 15.065 1.00 11.08 O +ATOM 2077 OD2 ASP B 26 55.476 34.288 13.010 1.00 11.15 O +ATOM 2078 N GLU B 27 56.140 38.513 16.206 1.00 10.23 N +ATOM 2079 CA GLU B 27 56.667 39.848 16.455 1.00 10.72 C +ATOM 2080 C GLU B 27 57.025 40.049 17.926 1.00 10.23 C +ATOM 2081 O GLU B 27 58.069 40.613 18.247 1.00 10.12 O +ATOM 2082 CB GLU B 27 55.645 40.900 16.012 1.00 11.91 C +ATOM 2083 CG GLU B 27 55.297 40.849 14.527 1.00 14.16 C +ATOM 2084 CD GLU B 27 54.665 39.527 14.107 1.00 15.08 C +ATOM 2085 OE1 GLU B 27 53.579 39.190 14.623 1.00 15.63 O +ATOM 2086 OE2 GLU B 27 55.254 38.822 13.258 1.00 16.46 O +ATOM 2087 N LYS B 28 56.159 39.583 18.817 1.00 9.79 N +ATOM 2088 CA LYS B 28 56.406 39.717 20.246 1.00 9.73 C +ATOM 2089 C LYS B 28 57.589 38.863 20.698 1.00 9.06 C +ATOM 2090 O LYS B 28 58.358 39.262 21.575 1.00 8.91 O +ATOM 2091 CB LYS B 28 55.146 39.347 21.028 1.00 10.53 C +ATOM 2092 CG LYS B 28 54.021 40.347 20.829 1.00 12.03 C +ATOM 2093 CD LYS B 28 52.748 39.949 21.550 1.00 13.15 C +ATOM 2094 CE LYS B 28 51.679 41.011 21.351 1.00 13.75 C +ATOM 2095 NZ LYS B 28 50.382 40.627 21.963 1.00 14.72 N +ATOM 2096 N VAL B 29 57.743 37.688 20.098 1.00 8.46 N +ATOM 2097 CA VAL B 29 58.856 36.822 20.457 1.00 8.05 C +ATOM 2098 C VAL B 29 60.147 37.432 19.920 1.00 7.90 C +ATOM 2099 O VAL B 29 61.183 37.395 20.583 1.00 7.44 O +ATOM 2100 CB VAL B 29 58.641 35.393 19.911 1.00 7.89 C +ATOM 2101 CG1 VAL B 29 59.924 34.583 20.029 1.00 7.90 C +ATOM 2102 CG2 VAL B 29 57.528 34.712 20.703 1.00 7.86 C +ATOM 2103 N ILE B 30 60.087 38.006 18.723 1.00 7.89 N +ATOM 2104 CA ILE B 30 61.265 38.644 18.154 1.00 7.93 C +ATOM 2105 C ILE B 30 61.716 39.752 19.106 1.00 7.89 C +ATOM 2106 O ILE B 30 62.907 39.900 19.374 1.00 7.66 O +ATOM 2107 CB ILE B 30 60.961 39.224 16.751 1.00 7.90 C +ATOM 2108 CG1 ILE B 30 60.899 38.076 15.734 1.00 8.14 C +ATOM 2109 CG2 ILE B 30 62.025 40.248 16.353 1.00 8.14 C +ATOM 2110 CD1 ILE B 30 60.394 38.471 14.356 1.00 8.44 C +ATOM 2111 N ALA B 31 60.758 40.509 19.634 1.00 7.93 N +ATOM 2112 CA ALA B 31 61.062 41.586 20.571 1.00 8.03 C +ATOM 2113 C ALA B 31 61.661 41.021 21.861 1.00 8.00 C +ATOM 2114 O ALA B 31 62.538 41.638 22.470 1.00 8.21 O +ATOM 2115 CB ALA B 31 59.801 42.387 20.881 1.00 8.24 C +ATOM 2116 N LEU B 32 61.187 39.848 22.275 1.00 7.89 N +ATOM 2117 CA LEU B 32 61.695 39.210 23.488 1.00 7.87 C +ATOM 2118 C LEU B 32 63.166 38.844 23.303 1.00 7.67 C +ATOM 2119 O LEU B 32 63.974 38.996 24.216 1.00 7.62 O +ATOM 2120 CB LEU B 32 60.896 37.941 23.807 1.00 8.12 C +ATOM 2121 CG LEU B 32 61.182 37.294 25.166 1.00 8.62 C +ATOM 2122 CD1 LEU B 32 60.424 38.054 26.246 1.00 9.28 C +ATOM 2123 CD2 LEU B 32 60.749 35.832 25.155 1.00 9.13 C +ATOM 2124 N CYS B 33 63.508 38.355 22.114 1.00 7.52 N +ATOM 2125 CA CYS B 33 64.886 37.980 21.814 1.00 7.61 C +ATOM 2126 C CYS B 33 65.802 39.195 21.907 1.00 7.82 C +ATOM 2127 O CYS B 33 66.931 39.105 22.392 1.00 7.51 O +ATOM 2128 CB CYS B 33 64.976 37.360 20.416 1.00 7.64 C +ATOM 2129 SG CYS B 33 64.191 35.734 20.253 1.00 7.67 S +ATOM 2130 N HIS B 34 65.315 40.337 21.437 1.00 8.07 N +ATOM 2131 CA HIS B 34 66.098 41.568 21.492 1.00 8.67 C +ATOM 2132 C HIS B 34 66.303 41.985 22.944 1.00 8.96 C +ATOM 2133 O HIS B 34 67.362 42.486 23.317 1.00 8.96 O +ATOM 2134 CB HIS B 34 65.376 42.680 20.733 1.00 9.17 C +ATOM 2135 CG HIS B 34 65.259 42.428 19.262 1.00 9.76 C +ATOM 2136 ND1 HIS B 34 64.342 43.080 18.467 1.00 10.34 N +ATOM 2137 CD2 HIS B 34 65.955 41.607 18.441 1.00 9.88 C +ATOM 2138 CE1 HIS B 34 64.477 42.670 17.218 1.00 10.27 C +ATOM 2139 NE2 HIS B 34 65.449 41.777 17.174 1.00 10.48 N +ATOM 2140 N GLN B 35 65.277 41.772 23.759 1.00 9.15 N +ATOM 2141 CA GLN B 35 65.325 42.114 25.176 1.00 9.59 C +ATOM 2142 C GLN B 35 66.331 41.249 25.929 1.00 9.14 C +ATOM 2143 O GLN B 35 66.968 41.708 26.879 1.00 8.97 O +ATOM 2144 CB GLN B 35 63.938 41.937 25.797 1.00 10.80 C +ATOM 2145 CG GLN B 35 62.899 42.926 25.304 1.00 13.22 C +ATOM 2146 CD GLN B 35 61.484 42.519 25.680 1.00 14.29 C +ATOM 2147 OE1 GLN B 35 61.210 42.167 26.828 1.00 15.62 O +ATOM 2148 NE2 GLN B 35 60.576 42.569 24.709 1.00 15.47 N +ATOM 2149 N ALA B 36 66.470 39.997 25.503 1.00 8.47 N +ATOM 2150 CA ALA B 36 67.388 39.063 26.145 1.00 8.31 C +ATOM 2151 C ALA B 36 68.841 39.512 26.028 1.00 8.41 C +ATOM 2152 O ALA B 36 69.690 39.118 26.826 1.00 8.16 O +ATOM 2153 CB ALA B 36 67.214 37.675 25.545 1.00 8.01 C +ATOM 2154 N LYS B 37 69.122 40.330 25.020 1.00 8.42 N +ATOM 2155 CA LYS B 37 70.462 40.860 24.801 1.00 8.72 C +ATOM 2156 C LYS B 37 70.463 42.227 25.488 1.00 9.19 C +ATOM 2157 O LYS B 37 70.171 43.244 24.862 1.00 9.22 O +ATOM 2158 CB LYS B 37 70.712 41.003 23.296 1.00 8.44 C +ATOM 2159 CG LYS B 37 72.098 41.493 22.918 1.00 8.42 C +ATOM 2160 CD LYS B 37 72.243 41.560 21.407 1.00 8.39 C +ATOM 2161 CE LYS B 37 73.643 41.998 21.011 1.00 8.46 C +ATOM 2162 NZ LYS B 37 73.759 42.181 19.541 1.00 8.33 N +ATOM 2163 N THR B 38 70.777 42.240 26.782 1.00 9.91 N +ATOM 2164 CA THR B 38 70.762 43.479 27.563 1.00 10.64 C +ATOM 2165 C THR B 38 72.078 44.252 27.554 1.00 11.13 C +ATOM 2166 O THR B 38 73.119 43.729 27.156 1.00 10.99 O +ATOM 2167 CB THR B 38 70.372 43.208 29.040 1.00 10.81 C +ATOM 2168 OG1 THR B 38 71.553 42.980 29.821 1.00 10.68 O +ATOM 2169 CG2 THR B 38 69.464 41.988 29.136 1.00 10.97 C +ATOM 2170 N PRO B 39 72.044 45.519 28.001 1.00 11.80 N +ATOM 2171 CA PRO B 39 73.244 46.360 28.039 1.00 12.15 C +ATOM 2172 C PRO B 39 74.334 45.877 28.995 1.00 12.25 C +ATOM 2173 O PRO B 39 75.472 46.337 28.917 1.00 12.69 O +ATOM 2174 CB PRO B 39 72.699 47.727 28.452 1.00 12.34 C +ATOM 2175 CG PRO B 39 71.296 47.709 27.933 1.00 12.44 C +ATOM 2176 CD PRO B 39 70.842 46.317 28.295 1.00 12.07 C +ATOM 2177 N VAL B 40 73.989 44.959 29.896 1.00 12.11 N +ATOM 2178 CA VAL B 40 74.959 44.447 30.863 1.00 11.82 C +ATOM 2179 C VAL B 40 75.243 42.958 30.702 1.00 11.44 C +ATOM 2180 O VAL B 40 75.942 42.361 31.522 1.00 11.45 O +ATOM 2181 CB VAL B 40 74.485 44.684 32.314 1.00 12.06 C +ATOM 2182 CG1 VAL B 40 74.197 46.158 32.530 1.00 12.50 C +ATOM 2183 CG2 VAL B 40 73.246 43.842 32.602 1.00 12.09 C +ATOM 2184 N GLY B 41 74.699 42.360 29.648 1.00 10.86 N +ATOM 2185 CA GLY B 41 74.918 40.945 29.418 1.00 10.32 C +ATOM 2186 C GLY B 41 73.673 40.262 28.894 1.00 9.90 C +ATOM 2187 O GLY B 41 72.610 40.875 28.804 1.00 10.07 O +ATOM 2188 N ASN B 42 73.803 38.985 28.555 1.00 9.61 N +ATOM 2189 CA ASN B 42 72.679 38.225 28.029 1.00 9.13 C +ATOM 2190 C ASN B 42 72.036 37.348 29.089 1.00 8.72 C +ATOM 2191 O ASN B 42 72.692 36.912 30.034 1.00 8.70 O +ATOM 2192 CB ASN B 42 73.133 37.336 26.870 1.00 9.66 C +ATOM 2193 CG ASN B 42 73.776 38.122 25.747 1.00 10.05 C +ATOM 2194 OD1 ASN B 42 73.323 39.211 25.396 1.00 10.80 O +ATOM 2195 ND2 ASN B 42 74.828 37.561 25.163 1.00 10.74 N +ATOM 2196 N THR B 43 70.741 37.104 28.939 1.00 8.07 N +ATOM 2197 CA THR B 43 70.050 36.228 29.870 1.00 7.62 C +ATOM 2198 C THR B 43 70.526 34.824 29.506 1.00 7.23 C +ATOM 2199 O THR B 43 71.135 34.623 28.450 1.00 7.47 O +ATOM 2200 CB THR B 43 68.514 36.309 29.707 1.00 7.43 C +ATOM 2201 OG1 THR B 43 68.150 35.962 28.365 1.00 7.52 O +ATOM 2202 CG2 THR B 43 68.015 37.713 30.007 1.00 7.47 C +ATOM 2203 N ALA B 44 70.264 33.858 30.378 1.00 6.75 N +ATOM 2204 CA ALA B 44 70.680 32.484 30.120 1.00 6.35 C +ATOM 2205 C ALA B 44 69.896 31.898 28.959 1.00 6.12 C +ATOM 2206 O ALA B 44 70.426 31.123 28.166 1.00 6.17 O +ATOM 2207 CB ALA B 44 70.466 31.629 31.363 1.00 6.39 C +ATOM 2208 N ALA B 45 68.630 32.283 28.860 1.00 5.94 N +ATOM 2209 CA ALA B 45 67.782 31.746 27.813 1.00 6.10 C +ATOM 2210 C ALA B 45 66.490 32.535 27.693 1.00 6.01 C +ATOM 2211 O ALA B 45 66.298 33.561 28.344 1.00 5.88 O +ATOM 2212 CB ALA B 45 67.456 30.287 28.143 1.00 6.85 C +ATOM 2213 N ILE B 46 65.625 32.057 26.807 1.00 5.96 N +ATOM 2214 CA ILE B 46 64.291 32.610 26.644 1.00 6.02 C +ATOM 2215 C ILE B 46 63.398 31.382 26.807 1.00 5.84 C +ATOM 2216 O ILE B 46 63.859 30.248 26.634 1.00 6.09 O +ATOM 2217 CB ILE B 46 64.039 33.248 25.243 1.00 6.09 C +ATOM 2218 CG1 ILE B 46 64.251 32.224 24.128 1.00 6.48 C +ATOM 2219 CG2 ILE B 46 64.917 34.476 25.070 1.00 6.39 C +ATOM 2220 CD1 ILE B 46 63.847 32.742 22.751 1.00 6.88 C +ATOM 2221 N CYS B 47 62.143 31.597 27.183 1.00 5.68 N +ATOM 2222 CA CYS B 47 61.199 30.497 27.339 1.00 5.58 C +ATOM 2223 C CYS B 47 59.939 30.938 26.619 1.00 5.43 C +ATOM 2224 O CYS B 47 59.315 31.931 26.992 1.00 5.36 O +ATOM 2225 CB CYS B 47 60.899 30.221 28.814 1.00 5.77 C +ATOM 2226 SG CYS B 47 59.874 28.744 29.060 1.00 6.89 S +ATOM 2227 N ILE B 48 59.579 30.189 25.583 1.00 5.17 N +ATOM 2228 CA ILE B 48 58.433 30.514 24.741 1.00 5.08 C +ATOM 2229 C ILE B 48 57.665 29.259 24.342 1.00 4.86 C +ATOM 2230 O ILE B 48 58.122 28.144 24.579 1.00 4.91 O +ATOM 2231 CB ILE B 48 58.927 31.201 23.451 1.00 5.54 C +ATOM 2232 CG1 ILE B 48 59.984 30.312 22.783 1.00 5.82 C +ATOM 2233 CG2 ILE B 48 59.525 32.567 23.775 1.00 5.83 C +ATOM 2234 CD1 ILE B 48 60.544 30.858 21.484 1.00 6.31 C +ATOM 2235 N TYR B 49 56.498 29.440 23.731 1.00 4.81 N +ATOM 2236 CA TYR B 49 55.724 28.292 23.276 1.00 4.86 C +ATOM 2237 C TYR B 49 56.480 27.666 22.100 1.00 4.94 C +ATOM 2238 O TYR B 49 57.158 28.360 21.339 1.00 4.54 O +ATOM 2239 CB TYR B 49 54.309 28.713 22.862 1.00 5.18 C +ATOM 2240 CG TYR B 49 53.361 28.897 24.032 1.00 5.36 C +ATOM 2241 CD1 TYR B 49 53.123 27.856 24.932 1.00 5.91 C +ATOM 2242 CD2 TYR B 49 52.692 30.104 24.233 1.00 6.01 C +ATOM 2243 CE1 TYR B 49 52.242 28.012 25.998 1.00 6.09 C +ATOM 2244 CE2 TYR B 49 51.808 30.268 25.298 1.00 6.12 C +ATOM 2245 CZ TYR B 49 51.588 29.218 26.174 1.00 6.53 C +ATOM 2246 OH TYR B 49 50.711 29.371 27.225 1.00 7.94 O +ATOM 2247 N PRO B 50 56.367 26.341 21.935 1.00 4.83 N +ATOM 2248 CA PRO B 50 57.053 25.618 20.861 1.00 4.98 C +ATOM 2249 C PRO B 50 57.013 26.211 19.454 1.00 4.88 C +ATOM 2250 O PRO B 50 58.036 26.237 18.767 1.00 4.78 O +ATOM 2251 CB PRO B 50 56.408 24.236 20.909 1.00 5.14 C +ATOM 2252 CG PRO B 50 56.064 24.070 22.353 1.00 5.38 C +ATOM 2253 CD PRO B 50 55.519 25.429 22.726 1.00 4.84 C +ATOM 2254 N ARG B 51 55.849 26.688 19.026 1.00 4.99 N +ATOM 2255 CA ARG B 51 55.713 27.219 17.671 1.00 5.13 C +ATOM 2256 C ARG B 51 56.581 28.424 17.340 1.00 5.15 C +ATOM 2257 O ARG B 51 56.794 28.729 16.166 1.00 5.52 O +ATOM 2258 CB ARG B 51 54.250 27.554 17.380 1.00 5.20 C +ATOM 2259 CG ARG B 51 53.655 28.667 18.226 1.00 6.00 C +ATOM 2260 CD ARG B 51 52.161 28.750 17.939 1.00 6.37 C +ATOM 2261 NE ARG B 51 51.465 29.812 18.664 1.00 7.06 N +ATOM 2262 CZ ARG B 51 51.108 29.755 19.944 1.00 7.11 C +ATOM 2263 NH1 ARG B 51 51.380 28.682 20.680 1.00 7.43 N +ATOM 2264 NH2 ARG B 51 50.444 30.771 20.482 1.00 8.07 N +ATOM 2265 N PHE B 52 57.091 29.101 18.361 1.00 4.94 N +ATOM 2266 CA PHE B 52 57.923 30.278 18.144 1.00 5.23 C +ATOM 2267 C PHE B 52 59.415 29.970 18.156 1.00 5.27 C +ATOM 2268 O PHE B 52 60.237 30.856 17.932 1.00 5.62 O +ATOM 2269 CB PHE B 52 57.609 31.330 19.206 1.00 5.13 C +ATOM 2270 CG PHE B 52 56.179 31.785 19.199 1.00 4.92 C +ATOM 2271 CD1 PHE B 52 55.652 32.450 18.094 1.00 5.41 C +ATOM 2272 CD2 PHE B 52 55.358 31.553 20.296 1.00 5.09 C +ATOM 2273 CE1 PHE B 52 54.325 32.878 18.084 1.00 5.42 C +ATOM 2274 CE2 PHE B 52 54.030 31.978 20.297 1.00 5.38 C +ATOM 2275 CZ PHE B 52 53.514 32.643 19.186 1.00 5.37 C +ATOM 2276 N ILE B 53 59.771 28.712 18.387 1.00 5.35 N +ATOM 2277 CA ILE B 53 61.181 28.343 18.451 1.00 5.28 C +ATOM 2278 C ILE B 53 62.016 28.620 17.188 1.00 5.38 C +ATOM 2279 O ILE B 53 63.084 29.223 17.276 1.00 5.48 O +ATOM 2280 CB ILE B 53 61.341 26.856 18.862 1.00 5.34 C +ATOM 2281 CG1 ILE B 53 60.848 26.671 20.301 1.00 5.23 C +ATOM 2282 CG2 ILE B 53 62.802 26.422 18.735 1.00 5.57 C +ATOM 2283 CD1 ILE B 53 60.809 25.229 20.757 1.00 5.32 C +ATOM 2284 N PRO B 54 61.545 28.198 15.999 1.00 5.42 N +ATOM 2285 CA PRO B 54 62.336 28.449 14.787 1.00 5.57 C +ATOM 2286 C PRO B 54 62.682 29.915 14.527 1.00 5.63 C +ATOM 2287 O PRO B 54 63.840 30.246 14.252 1.00 5.52 O +ATOM 2288 CB PRO B 54 61.468 27.858 13.677 1.00 5.55 C +ATOM 2289 CG PRO B 54 60.718 26.761 14.386 1.00 5.78 C +ATOM 2290 CD PRO B 54 60.332 27.427 15.679 1.00 5.63 C +ATOM 2291 N ILE B 55 61.688 30.794 14.604 1.00 5.64 N +ATOM 2292 CA ILE B 55 61.942 32.209 14.369 1.00 6.05 C +ATOM 2293 C ILE B 55 62.796 32.812 15.487 1.00 5.86 C +ATOM 2294 O ILE B 55 63.615 33.702 15.244 1.00 5.82 O +ATOM 2295 CB ILE B 55 60.614 33.007 14.204 1.00 6.56 C +ATOM 2296 CG1 ILE B 55 60.925 34.459 13.818 1.00 6.91 C +ATOM 2297 CG2 ILE B 55 59.782 32.934 15.473 1.00 7.22 C +ATOM 2298 CD1 ILE B 55 61.671 34.590 12.510 1.00 7.52 C +ATOM 2299 N ALA B 56 62.628 32.315 16.709 1.00 5.64 N +ATOM 2300 CA ALA B 56 63.416 32.813 17.831 1.00 5.73 C +ATOM 2301 C ALA B 56 64.885 32.433 17.630 1.00 5.81 C +ATOM 2302 O ALA B 56 65.781 33.248 17.856 1.00 6.01 O +ATOM 2303 CB ALA B 56 62.893 32.235 19.147 1.00 5.81 C +ATOM 2304 N ARG B 57 65.130 31.198 17.197 1.00 5.80 N +ATOM 2305 CA ARG B 57 66.495 30.737 16.967 1.00 6.02 C +ATOM 2306 C ARG B 57 67.179 31.616 15.929 1.00 6.09 C +ATOM 2307 O ARG B 57 68.333 32.005 16.096 1.00 6.11 O +ATOM 2308 CB ARG B 57 66.504 29.287 16.476 1.00 6.34 C +ATOM 2309 CG ARG B 57 67.908 28.728 16.272 1.00 6.97 C +ATOM 2310 CD ARG B 57 68.588 28.447 17.605 1.00 7.69 C +ATOM 2311 NE ARG B 57 68.146 27.177 18.175 1.00 8.20 N +ATOM 2312 CZ ARG B 57 68.467 26.746 19.390 1.00 8.31 C +ATOM 2313 NH1 ARG B 57 69.230 27.486 20.185 1.00 8.30 N +ATOM 2314 NH2 ARG B 57 68.050 25.559 19.799 1.00 8.59 N +ATOM 2315 N LYS B 58 66.459 31.922 14.852 1.00 6.33 N +ATOM 2316 CA LYS B 58 66.996 32.757 13.784 1.00 6.62 C +ATOM 2317 C LYS B 58 67.298 34.159 14.301 1.00 6.52 C +ATOM 2318 O LYS B 58 68.347 34.727 14.000 1.00 6.47 O +ATOM 2319 CB LYS B 58 65.996 32.829 12.626 1.00 7.07 C +ATOM 2320 CG LYS B 58 66.444 33.671 11.440 1.00 8.23 C +ATOM 2321 CD LYS B 58 65.486 33.490 10.267 1.00 8.51 C +ATOM 2322 CE LYS B 58 65.929 34.274 9.043 1.00 9.29 C +ATOM 2323 NZ LYS B 58 65.090 33.926 7.864 1.00 9.74 N +ATOM 2324 N THR B 59 66.381 34.707 15.090 1.00 6.13 N +ATOM 2325 CA THR B 59 66.547 36.049 15.640 1.00 6.14 C +ATOM 2326 C THR B 59 67.761 36.131 16.567 1.00 6.20 C +ATOM 2327 O THR B 59 68.562 37.064 16.478 1.00 6.19 O +ATOM 2328 CB THR B 59 65.278 36.485 16.401 1.00 6.11 C +ATOM 2329 OG1 THR B 59 64.143 36.405 15.523 1.00 6.45 O +ATOM 2330 CG2 THR B 59 65.422 37.911 16.900 1.00 5.92 C +ATOM 2331 N LEU B 60 67.901 35.153 17.458 1.00 6.02 N +ATOM 2332 CA LEU B 60 69.029 35.128 18.385 1.00 6.25 C +ATOM 2333 C LEU B 60 70.355 34.973 17.634 1.00 6.59 C +ATOM 2334 O LEU B 60 71.358 35.592 17.991 1.00 6.70 O +ATOM 2335 CB LEU B 60 68.852 33.986 19.398 1.00 6.12 C +ATOM 2336 CG LEU B 60 67.680 34.123 20.380 1.00 6.14 C +ATOM 2337 CD1 LEU B 60 67.499 32.823 21.153 1.00 6.36 C +ATOM 2338 CD2 LEU B 60 67.934 35.284 21.333 1.00 6.05 C +ATOM 2339 N LYS B 61 70.355 34.158 16.584 1.00 6.99 N +ATOM 2340 CA LYS B 61 71.564 33.937 15.794 1.00 7.59 C +ATOM 2341 C LYS B 61 71.978 35.193 15.035 1.00 7.59 C +ATOM 2342 O LYS B 61 73.150 35.575 15.038 1.00 7.64 O +ATOM 2343 CB LYS B 61 71.345 32.790 14.797 1.00 8.28 C +ATOM 2344 CG LYS B 61 72.547 32.488 13.905 1.00 9.37 C +ATOM 2345 CD LYS B 61 72.213 31.428 12.860 1.00 10.44 C +ATOM 2346 CE LYS B 61 73.412 31.125 11.974 1.00 11.30 C +ATOM 2347 NZ LYS B 61 73.101 30.091 10.945 1.00 12.07 N +ATOM 2348 N GLU B 62 71.011 35.849 14.404 1.00 7.89 N +ATOM 2349 CA GLU B 62 71.312 37.032 13.616 1.00 8.47 C +ATOM 2350 C GLU B 62 71.766 38.240 14.425 1.00 8.17 C +ATOM 2351 O GLU B 62 72.396 39.142 13.873 1.00 8.13 O +ATOM 2352 CB GLU B 62 70.117 37.392 12.727 1.00 9.41 C +ATOM 2353 CG GLU B 62 69.682 36.240 11.824 1.00 11.85 C +ATOM 2354 CD GLU B 62 68.861 36.684 10.625 1.00 12.41 C +ATOM 2355 OE1 GLU B 62 68.039 37.613 10.763 1.00 13.87 O +ATOM 2356 OE2 GLU B 62 69.030 36.085 9.542 1.00 13.84 O +ATOM 2357 N GLN B 63 71.463 38.266 15.723 1.00 7.80 N +ATOM 2358 CA GLN B 63 71.906 39.382 16.559 1.00 7.72 C +ATOM 2359 C GLN B 63 73.184 39.005 17.306 1.00 7.68 C +ATOM 2360 O GLN B 63 73.607 39.702 18.229 1.00 7.88 O +ATOM 2361 CB GLN B 63 70.823 39.816 17.558 1.00 7.53 C +ATOM 2362 CG GLN B 63 70.396 38.757 18.561 1.00 7.28 C +ATOM 2363 CD GLN B 63 69.412 39.290 19.592 1.00 7.33 C +ATOM 2364 OE1 GLN B 63 68.666 40.234 19.330 1.00 7.77 O +ATOM 2365 NE2 GLN B 63 69.392 38.669 20.766 1.00 7.37 N +ATOM 2366 N GLY B 64 73.790 37.893 16.903 1.00 7.86 N +ATOM 2367 CA GLY B 64 75.034 37.460 17.513 1.00 8.15 C +ATOM 2368 C GLY B 64 74.975 36.896 18.918 1.00 8.60 C +ATOM 2369 O GLY B 64 75.977 36.929 19.631 1.00 8.97 O +ATOM 2370 N THR B 65 73.822 36.376 19.327 1.00 8.61 N +ATOM 2371 CA THR B 65 73.693 35.792 20.659 1.00 8.58 C +ATOM 2372 C THR B 65 73.168 34.360 20.592 1.00 8.67 C +ATOM 2373 O THR B 65 72.144 34.035 21.192 1.00 8.34 O +ATOM 2374 CB THR B 65 72.755 36.628 21.560 1.00 8.49 C +ATOM 2375 OG1 THR B 65 71.434 36.647 21.006 1.00 8.17 O +ATOM 2376 CG2 THR B 65 73.268 38.048 21.675 1.00 8.90 C +ATOM 2377 N PRO B 66 73.868 33.478 19.860 1.00 8.97 N +ATOM 2378 CA PRO B 66 73.412 32.089 19.758 1.00 9.33 C +ATOM 2379 C PRO B 66 73.543 31.321 21.069 1.00 9.60 C +ATOM 2380 O PRO B 66 72.983 30.233 21.212 1.00 9.64 O +ATOM 2381 CB PRO B 66 74.300 31.517 18.657 1.00 9.49 C +ATOM 2382 CG PRO B 66 75.580 32.259 18.853 1.00 9.43 C +ATOM 2383 CD PRO B 66 75.107 33.682 19.088 1.00 9.23 C +ATOM 2384 N GLU B 67 74.278 31.892 22.021 1.00 9.79 N +ATOM 2385 CA GLU B 67 74.484 31.254 23.319 1.00 9.96 C +ATOM 2386 C GLU B 67 73.259 31.378 24.215 1.00 9.50 C +ATOM 2387 O GLU B 67 73.187 30.737 25.266 1.00 9.65 O +ATOM 2388 CB GLU B 67 75.698 31.851 24.037 1.00 10.95 C +ATOM 2389 CG GLU B 67 75.512 33.292 24.481 1.00 12.37 C +ATOM 2390 CD GLU B 67 76.038 34.294 23.475 1.00 13.06 C +ATOM 2391 OE1 GLU B 67 75.801 34.110 22.263 1.00 13.48 O +ATOM 2392 OE2 GLU B 67 76.686 35.273 23.902 1.00 14.29 O +ATOM 2393 N ILE B 68 72.311 32.225 23.828 1.00 8.54 N +ATOM 2394 CA ILE B 68 71.086 32.361 24.607 1.00 8.14 C +ATOM 2395 C ILE B 68 70.259 31.137 24.235 1.00 7.97 C +ATOM 2396 O ILE B 68 69.837 30.976 23.088 1.00 7.80 O +ATOM 2397 CB ILE B 68 70.321 33.658 24.265 1.00 7.80 C +ATOM 2398 CG1 ILE B 68 71.152 34.872 24.702 1.00 7.94 C +ATOM 2399 CG2 ILE B 68 68.966 33.663 24.965 1.00 7.82 C +ATOM 2400 CD1 ILE B 68 70.510 36.224 24.397 1.00 7.95 C +ATOM 2401 N ARG B 69 70.066 30.258 25.210 1.00 7.70 N +ATOM 2402 CA ARG B 69 69.335 29.015 25.013 1.00 7.71 C +ATOM 2403 C ARG B 69 67.843 29.211 24.809 1.00 6.92 C +ATOM 2404 O ARG B 69 67.276 30.227 25.207 1.00 6.55 O +ATOM 2405 CB ARG B 69 69.587 28.089 26.210 1.00 9.07 C +ATOM 2406 CG ARG B 69 71.034 27.607 26.284 1.00 11.05 C +ATOM 2407 CD ARG B 69 71.401 26.964 27.613 1.00 13.23 C +ATOM 2408 NE ARG B 69 71.757 27.957 28.623 1.00 14.59 N +ATOM 2409 CZ ARG B 69 72.694 28.888 28.452 1.00 15.13 C +ATOM 2410 NH1 ARG B 69 73.372 28.952 27.314 1.00 15.99 N +ATOM 2411 NH2 ARG B 69 72.944 29.766 29.408 1.00 15.14 N +ATOM 2412 N ILE B 70 67.208 28.239 24.163 1.00 6.25 N +ATOM 2413 CA ILE B 70 65.772 28.320 23.948 1.00 5.83 C +ATOM 2414 C ILE B 70 65.055 27.205 24.703 1.00 5.59 C +ATOM 2415 O ILE B 70 65.229 26.014 24.416 1.00 5.54 O +ATOM 2416 CB ILE B 70 65.406 28.230 22.450 1.00 5.87 C +ATOM 2417 CG1 ILE B 70 66.067 29.375 21.677 1.00 5.89 C +ATOM 2418 CG2 ILE B 70 63.888 28.301 22.290 1.00 5.87 C +ATOM 2419 CD1 ILE B 70 65.822 29.326 20.180 1.00 6.22 C +ATOM 2420 N ALA B 71 64.269 27.604 25.692 1.00 5.20 N +ATOM 2421 CA ALA B 71 63.489 26.666 26.478 1.00 5.12 C +ATOM 2422 C ALA B 71 62.035 26.812 26.055 1.00 5.08 C +ATOM 2423 O ALA B 71 61.624 27.851 25.528 1.00 5.11 O +ATOM 2424 CB ALA B 71 63.638 26.968 27.969 1.00 5.01 C +ATOM 2425 N THR B 72 61.254 25.766 26.277 1.00 4.89 N +ATOM 2426 CA THR B 72 59.846 25.806 25.931 1.00 4.88 C +ATOM 2427 C THR B 72 59.087 24.976 26.964 1.00 4.94 C +ATOM 2428 O THR B 72 59.687 24.460 27.911 1.00 5.10 O +ATOM 2429 CB THR B 72 59.626 25.279 24.482 1.00 4.96 C +ATOM 2430 OG1 THR B 72 58.278 25.541 24.071 1.00 5.25 O +ATOM 2431 CG2 THR B 72 59.912 23.791 24.393 1.00 5.16 C +ATOM 2432 N VAL B 73 57.775 24.862 26.799 1.00 4.97 N +ATOM 2433 CA VAL B 73 56.955 24.110 27.740 1.00 5.12 C +ATOM 2434 C VAL B 73 56.074 23.091 27.034 1.00 4.91 C +ATOM 2435 O VAL B 73 55.628 23.325 25.911 1.00 5.13 O +ATOM 2436 CB VAL B 73 56.033 25.055 28.554 1.00 5.13 C +ATOM 2437 CG1 VAL B 73 56.866 25.976 29.438 1.00 5.70 C +ATOM 2438 CG2 VAL B 73 55.159 25.870 27.606 1.00 5.87 C +ATOM 2439 N THR B 74 55.841 21.957 27.695 1.00 4.83 N +ATOM 2440 CA THR B 74 54.980 20.900 27.166 1.00 4.78 C +ATOM 2441 C THR B 74 54.086 20.363 28.294 1.00 4.70 C +ATOM 2442 O THR B 74 54.371 20.583 29.482 1.00 4.55 O +ATOM 2443 CB THR B 74 55.795 19.747 26.519 1.00 4.84 C +ATOM 2444 OG1 THR B 74 56.675 19.161 27.486 1.00 4.58 O +ATOM 2445 CG2 THR B 74 56.612 20.273 25.346 1.00 4.82 C +ATOM 2446 N ASN B 75 53.005 19.676 27.913 1.00 4.77 N +ATOM 2447 CA ASN B 75 52.003 19.148 28.853 1.00 4.67 C +ATOM 2448 C ASN B 75 51.598 20.320 29.734 1.00 4.80 C +ATOM 2449 O ASN B 75 51.258 20.164 30.905 1.00 4.87 O +ATOM 2450 CB ASN B 75 52.588 18.019 29.710 1.00 4.54 C +ATOM 2451 CG ASN B 75 51.512 17.092 30.249 1.00 4.53 C +ATOM 2452 OD1 ASN B 75 50.569 16.756 29.537 1.00 5.19 O +ATOM 2453 ND2 ASN B 75 51.655 16.665 31.499 1.00 4.47 N +ATOM 2454 N PHE B 76 51.576 21.489 29.107 1.00 4.91 N +ATOM 2455 CA PHE B 76 51.350 22.767 29.766 1.00 5.38 C +ATOM 2456 C PHE B 76 50.039 23.485 29.439 1.00 5.55 C +ATOM 2457 O PHE B 76 49.585 23.481 28.298 1.00 5.96 O +ATOM 2458 CB PHE B 76 52.563 23.626 29.392 1.00 5.05 C +ATOM 2459 CG PHE B 76 52.580 24.998 29.991 1.00 4.75 C +ATOM 2460 CD1 PHE B 76 51.824 26.027 29.437 1.00 4.98 C +ATOM 2461 CD2 PHE B 76 53.415 25.283 31.067 1.00 4.93 C +ATOM 2462 CE1 PHE B 76 51.905 27.322 29.942 1.00 5.06 C +ATOM 2463 CE2 PHE B 76 53.503 26.573 31.578 1.00 5.01 C +ATOM 2464 CZ PHE B 76 52.747 27.594 31.014 1.00 5.30 C +ATOM 2465 N PRO B 77 49.416 24.129 30.443 1.00 5.79 N +ATOM 2466 CA PRO B 77 49.864 24.215 31.838 1.00 5.91 C +ATOM 2467 C PRO B 77 49.166 23.174 32.715 1.00 5.96 C +ATOM 2468 O PRO B 77 49.469 23.036 33.898 1.00 6.02 O +ATOM 2469 CB PRO B 77 49.456 25.627 32.225 1.00 6.04 C +ATOM 2470 CG PRO B 77 48.112 25.737 31.558 1.00 6.13 C +ATOM 2471 CD PRO B 77 48.359 25.126 30.179 1.00 6.12 C +ATOM 2472 N HIS B 78 48.243 22.440 32.102 1.00 6.06 N +ATOM 2473 CA HIS B 78 47.421 21.442 32.780 1.00 6.21 C +ATOM 2474 C HIS B 78 48.096 20.322 33.565 1.00 6.04 C +ATOM 2475 O HIS B 78 47.625 19.954 34.638 1.00 6.29 O +ATOM 2476 CB HIS B 78 46.460 20.817 31.769 1.00 6.50 C +ATOM 2477 CG HIS B 78 47.142 20.258 30.561 1.00 6.94 C +ATOM 2478 ND1 HIS B 78 47.154 20.904 29.343 1.00 7.77 N +ATOM 2479 CD2 HIS B 78 47.858 19.121 30.391 1.00 6.94 C +ATOM 2480 CE1 HIS B 78 47.846 20.187 28.475 1.00 7.36 C +ATOM 2481 NE2 HIS B 78 48.284 19.101 29.086 1.00 7.99 N +ATOM 2482 N GLY B 79 49.179 19.763 33.042 1.00 5.98 N +ATOM 2483 CA GLY B 79 49.822 18.670 33.745 1.00 5.98 C +ATOM 2484 C GLY B 79 48.948 17.427 33.727 1.00 6.04 C +ATOM 2485 O GLY B 79 48.859 16.703 34.719 1.00 5.93 O +ATOM 2486 N ASN B 80 48.293 17.178 32.597 1.00 6.18 N +ATOM 2487 CA ASN B 80 47.438 16.003 32.472 1.00 6.71 C +ATOM 2488 C ASN B 80 48.291 14.743 32.584 1.00 6.90 C +ATOM 2489 O ASN B 80 49.516 14.799 32.471 1.00 6.78 O +ATOM 2490 CB ASN B 80 46.672 16.032 31.145 1.00 7.00 C +ATOM 2491 CG ASN B 80 45.607 17.115 31.115 1.00 7.59 C +ATOM 2492 OD1 ASN B 80 45.189 17.618 32.162 1.00 8.22 O +ATOM 2493 ND2 ASN B 80 45.158 17.474 29.917 1.00 8.16 N +ATOM 2494 N ASP B 81 47.647 13.603 32.806 1.00 7.18 N +ATOM 2495 CA ASP B 81 48.392 12.365 32.976 1.00 7.50 C +ATOM 2496 C ASP B 81 48.432 11.451 31.754 1.00 7.42 C +ATOM 2497 O ASP B 81 48.613 10.241 31.883 1.00 7.41 O +ATOM 2498 CB ASP B 81 47.856 11.608 34.196 1.00 8.41 C +ATOM 2499 CG ASP B 81 46.569 10.875 33.910 1.00 9.10 C +ATOM 2500 OD1 ASP B 81 45.798 11.327 33.038 1.00 9.25 O +ATOM 2501 OD2 ASP B 81 46.325 9.844 34.575 1.00 10.23 O +ATOM 2502 N ASP B 82 48.259 12.028 30.568 1.00 7.26 N +ATOM 2503 CA ASP B 82 48.325 11.244 29.339 1.00 7.12 C +ATOM 2504 C ASP B 82 49.773 11.338 28.859 1.00 6.99 C +ATOM 2505 O ASP B 82 50.204 12.362 28.318 1.00 6.81 O +ATOM 2506 CB ASP B 82 47.379 11.803 28.271 1.00 7.73 C +ATOM 2507 CG ASP B 82 47.295 10.911 27.043 1.00 8.09 C +ATOM 2508 OD1 ASP B 82 48.354 10.439 26.582 1.00 8.53 O +ATOM 2509 OD2 ASP B 82 46.174 10.690 26.530 1.00 9.29 O +ATOM 2510 N ILE B 83 50.524 10.267 29.077 1.00 6.92 N +ATOM 2511 CA ILE B 83 51.927 10.215 28.695 1.00 6.97 C +ATOM 2512 C ILE B 83 52.138 10.298 27.184 1.00 6.96 C +ATOM 2513 O ILE B 83 53.102 10.911 26.718 1.00 6.82 O +ATOM 2514 CB ILE B 83 52.585 8.928 29.243 1.00 7.19 C +ATOM 2515 CG1 ILE B 83 52.438 8.892 30.768 1.00 7.83 C +ATOM 2516 CG2 ILE B 83 54.055 8.878 28.845 1.00 7.70 C +ATOM 2517 CD1 ILE B 83 52.887 7.585 31.402 1.00 8.34 C +ATOM 2518 N ASP B 84 51.242 9.691 26.414 1.00 7.04 N +ATOM 2519 CA ASP B 84 51.380 9.733 24.961 1.00 7.30 C +ATOM 2520 C ASP B 84 51.331 11.170 24.451 1.00 6.85 C +ATOM 2521 O ASP B 84 52.118 11.561 23.590 1.00 6.76 O +ATOM 2522 CB ASP B 84 50.283 8.897 24.291 1.00 8.32 C +ATOM 2523 CG ASP B 84 50.432 7.412 24.571 1.00 9.41 C +ATOM 2524 OD1 ASP B 84 51.545 6.877 24.387 1.00 10.51 O +ATOM 2525 OD2 ASP B 84 49.435 6.779 24.968 1.00 11.03 O +ATOM 2526 N ILE B 85 50.414 11.962 24.994 1.00 6.44 N +ATOM 2527 CA ILE B 85 50.287 13.354 24.580 1.00 6.18 C +ATOM 2528 C ILE B 85 51.497 14.172 25.038 1.00 5.99 C +ATOM 2529 O ILE B 85 52.062 14.946 24.266 1.00 5.76 O +ATOM 2530 CB ILE B 85 48.968 13.972 25.126 1.00 6.15 C +ATOM 2531 CG1 ILE B 85 47.774 13.366 24.375 1.00 6.41 C +ATOM 2532 CG2 ILE B 85 48.994 15.492 24.986 1.00 6.39 C +ATOM 2533 CD1 ILE B 85 46.417 13.946 24.760 1.00 6.29 C +ATOM 2534 N ALA B 86 51.910 13.990 26.288 1.00 5.78 N +ATOM 2535 CA ALA B 86 53.058 14.724 26.809 1.00 5.56 C +ATOM 2536 C ALA B 86 54.317 14.401 26.003 1.00 5.59 C +ATOM 2537 O ALA B 86 55.124 15.286 25.707 1.00 5.49 O +ATOM 2538 CB ALA B 86 53.266 14.390 28.287 1.00 5.51 C +ATOM 2539 N LEU B 87 54.479 13.135 25.634 1.00 5.72 N +ATOM 2540 CA LEU B 87 55.647 12.723 24.865 1.00 5.77 C +ATOM 2541 C LEU B 87 55.607 13.278 23.441 1.00 5.71 C +ATOM 2542 O LEU B 87 56.630 13.706 22.906 1.00 5.76 O +ATOM 2543 CB LEU B 87 55.746 11.195 24.834 1.00 6.36 C +ATOM 2544 CG LEU B 87 56.935 10.615 24.062 1.00 6.65 C +ATOM 2545 CD1 LEU B 87 58.253 11.133 24.631 1.00 7.07 C +ATOM 2546 CD2 LEU B 87 56.879 9.099 24.143 1.00 7.20 C +ATOM 2547 N ALA B 88 54.430 13.270 22.824 1.00 5.47 N +ATOM 2548 CA ALA B 88 54.298 13.789 21.469 1.00 5.50 C +ATOM 2549 C ALA B 88 54.637 15.276 21.445 1.00 5.39 C +ATOM 2550 O ALA B 88 55.338 15.746 20.546 1.00 5.56 O +ATOM 2551 CB ALA B 88 52.883 13.565 20.949 1.00 5.58 C +ATOM 2552 N GLU B 89 54.139 16.019 22.430 1.00 5.31 N +ATOM 2553 CA GLU B 89 54.416 17.448 22.500 1.00 5.21 C +ATOM 2554 C GLU B 89 55.904 17.689 22.703 1.00 5.26 C +ATOM 2555 O GLU B 89 56.485 18.593 22.099 1.00 5.17 O +ATOM 2556 CB GLU B 89 53.623 18.095 23.639 1.00 5.45 C +ATOM 2557 CG GLU B 89 52.117 17.976 23.460 1.00 5.94 C +ATOM 2558 CD GLU B 89 51.330 18.789 24.465 1.00 6.53 C +ATOM 2559 OE1 GLU B 89 51.915 19.221 25.481 1.00 6.97 O +ATOM 2560 OE2 GLU B 89 50.116 18.986 24.245 1.00 6.98 O +ATOM 2561 N THR B 90 56.522 16.868 23.543 1.00 5.03 N +ATOM 2562 CA THR B 90 57.945 16.993 23.819 1.00 4.83 C +ATOM 2563 C THR B 90 58.770 16.678 22.563 1.00 4.78 C +ATOM 2564 O THR B 90 59.739 17.376 22.257 1.00 4.26 O +ATOM 2565 CB THR B 90 58.334 16.068 24.996 1.00 4.82 C +ATOM 2566 OG1 THR B 90 57.667 16.521 26.184 1.00 5.30 O +ATOM 2567 CG2 THR B 90 59.832 16.084 25.234 1.00 5.04 C +ATOM 2568 N ARG B 91 58.382 15.642 21.824 1.00 4.90 N +ATOM 2569 CA ARG B 91 59.100 15.303 20.603 1.00 5.38 C +ATOM 2570 C ARG B 91 58.927 16.423 19.579 1.00 5.07 C +ATOM 2571 O ARG B 91 59.845 16.722 18.823 1.00 4.94 O +ATOM 2572 CB ARG B 91 58.619 13.956 20.046 1.00 6.42 C +ATOM 2573 CG ARG B 91 59.157 12.775 20.849 1.00 8.33 C +ATOM 2574 CD ARG B 91 58.622 11.424 20.403 1.00 10.07 C +ATOM 2575 NE ARG B 91 59.361 10.343 21.053 1.00 11.63 N +ATOM 2576 CZ ARG B 91 58.951 9.081 21.136 1.00 12.46 C +ATOM 2577 NH1 ARG B 91 57.787 8.716 20.613 1.00 13.02 N +ATOM 2578 NH2 ARG B 91 59.719 8.179 21.734 1.00 13.03 N +ATOM 2579 N ALA B 92 57.756 17.054 19.566 1.00 4.76 N +ATOM 2580 CA ALA B 92 57.519 18.160 18.642 1.00 4.59 C +ATOM 2581 C ALA B 92 58.416 19.337 19.024 1.00 4.54 C +ATOM 2582 O ALA B 92 59.011 19.976 18.160 1.00 4.33 O +ATOM 2583 CB ALA B 92 56.049 18.577 18.674 1.00 4.46 C +ATOM 2584 N ALA B 93 58.522 19.611 20.322 1.00 4.51 N +ATOM 2585 CA ALA B 93 59.365 20.699 20.805 1.00 4.67 C +ATOM 2586 C ALA B 93 60.812 20.456 20.379 1.00 4.71 C +ATOM 2587 O ALA B 93 61.518 21.382 19.970 1.00 4.81 O +ATOM 2588 CB ALA B 93 59.278 20.794 22.319 1.00 4.69 C +ATOM 2589 N ILE B 94 61.250 19.204 20.482 1.00 4.93 N +ATOM 2590 CA ILE B 94 62.604 18.838 20.091 1.00 5.30 C +ATOM 2591 C ILE B 94 62.777 19.089 18.593 1.00 5.46 C +ATOM 2592 O ILE B 94 63.787 19.647 18.163 1.00 5.64 O +ATOM 2593 CB ILE B 94 62.884 17.346 20.419 1.00 5.46 C +ATOM 2594 CG1 ILE B 94 62.963 17.160 21.939 1.00 5.69 C +ATOM 2595 CG2 ILE B 94 64.175 16.882 19.752 1.00 5.88 C +ATOM 2596 CD1 ILE B 94 62.943 15.706 22.385 1.00 6.13 C +ATOM 2597 N ALA B 95 61.780 18.690 17.804 1.00 5.40 N +ATOM 2598 CA ALA B 95 61.829 18.870 16.355 1.00 5.63 C +ATOM 2599 C ALA B 95 61.863 20.348 15.958 1.00 5.78 C +ATOM 2600 O ALA B 95 62.519 20.718 14.979 1.00 6.16 O +ATOM 2601 CB ALA B 95 60.637 18.171 15.703 1.00 5.61 C +ATOM 2602 N TYR B 96 61.151 21.188 16.707 1.00 5.68 N +ATOM 2603 CA TYR B 96 61.134 22.626 16.437 1.00 5.71 C +ATOM 2604 C TYR B 96 62.538 23.185 16.633 1.00 5.85 C +ATOM 2605 O TYR B 96 62.917 24.160 15.987 1.00 6.51 O +ATOM 2606 CB TYR B 96 60.188 23.359 17.391 1.00 5.02 C +ATOM 2607 CG TYR B 96 58.732 23.428 16.971 1.00 4.32 C +ATOM 2608 CD1 TYR B 96 58.352 24.035 15.772 1.00 4.07 C +ATOM 2609 CD2 TYR B 96 57.725 22.973 17.821 1.00 4.30 C +ATOM 2610 CE1 TYR B 96 57.003 24.196 15.439 1.00 4.09 C +ATOM 2611 CE2 TYR B 96 56.379 23.130 17.498 1.00 4.20 C +ATOM 2612 CZ TYR B 96 56.022 23.744 16.311 1.00 4.21 C +ATOM 2613 OH TYR B 96 54.684 23.923 16.023 1.00 4.84 O +ATOM 2614 N GLY B 97 63.290 22.575 17.548 1.00 6.09 N +ATOM 2615 CA GLY B 97 64.649 23.014 17.815 1.00 6.18 C +ATOM 2616 C GLY B 97 64.933 23.450 19.244 1.00 6.13 C +ATOM 2617 O GLY B 97 65.915 24.142 19.492 1.00 6.63 O +ATOM 2618 N ALA B 98 64.103 23.042 20.197 1.00 5.93 N +ATOM 2619 CA ALA B 98 64.320 23.444 21.586 1.00 5.74 C +ATOM 2620 C ALA B 98 65.636 22.944 22.172 1.00 5.71 C +ATOM 2621 O ALA B 98 66.106 21.859 21.836 1.00 5.64 O +ATOM 2622 CB ALA B 98 63.165 22.957 22.450 1.00 5.88 C +ATOM 2623 N ASP B 99 66.236 23.753 23.043 1.00 5.79 N +ATOM 2624 CA ASP B 99 67.461 23.355 23.730 1.00 5.77 C +ATOM 2625 C ASP B 99 67.036 22.706 25.044 1.00 5.70 C +ATOM 2626 O ASP B 99 67.726 21.838 25.580 1.00 5.70 O +ATOM 2627 CB ASP B 99 68.338 24.563 24.077 1.00 6.06 C +ATOM 2628 CG ASP B 99 68.958 25.213 22.867 1.00 6.31 C +ATOM 2629 OD1 ASP B 99 69.539 24.486 22.038 1.00 6.71 O +ATOM 2630 OD2 ASP B 99 68.876 26.455 22.759 1.00 6.85 O +ATOM 2631 N GLU B 100 65.894 23.152 25.564 1.00 5.59 N +ATOM 2632 CA GLU B 100 65.375 22.656 26.832 1.00 5.50 C +ATOM 2633 C GLU B 100 63.857 22.595 26.795 1.00 5.16 C +ATOM 2634 O GLU B 100 63.203 23.415 26.144 1.00 5.04 O +ATOM 2635 CB GLU B 100 65.820 23.579 27.977 1.00 5.86 C +ATOM 2636 CG GLU B 100 67.289 23.980 27.904 1.00 6.69 C +ATOM 2637 CD GLU B 100 67.722 24.909 29.024 1.00 6.91 C +ATOM 2638 OE1 GLU B 100 66.854 25.526 29.681 1.00 6.91 O +ATOM 2639 OE2 GLU B 100 68.945 25.029 29.232 1.00 7.60 O +ATOM 2640 N VAL B 101 63.307 21.605 27.489 1.00 4.81 N +ATOM 2641 CA VAL B 101 61.867 21.427 27.578 1.00 4.76 C +ATOM 2642 C VAL B 101 61.477 21.415 29.051 1.00 4.72 C +ATOM 2643 O VAL B 101 62.043 20.657 29.845 1.00 4.72 O +ATOM 2644 CB VAL B 101 61.421 20.093 26.927 1.00 4.88 C +ATOM 2645 CG1 VAL B 101 59.931 19.862 27.165 1.00 5.17 C +ATOM 2646 CG2 VAL B 101 61.720 20.121 25.433 1.00 4.89 C +ATOM 2647 N ASP B 102 60.531 22.280 29.406 1.00 4.60 N +ATOM 2648 CA ASP B 102 60.018 22.380 30.771 1.00 4.56 C +ATOM 2649 C ASP B 102 58.642 21.710 30.705 1.00 4.63 C +ATOM 2650 O ASP B 102 57.683 22.305 30.207 1.00 4.79 O +ATOM 2651 CB ASP B 102 59.852 23.856 31.175 1.00 4.90 C +ATOM 2652 CG ASP B 102 61.184 24.604 31.320 1.00 4.88 C +ATOM 2653 OD1 ASP B 102 62.209 24.201 30.721 1.00 5.40 O +ATOM 2654 OD2 ASP B 102 61.196 25.632 32.033 1.00 5.68 O +ATOM 2655 N VAL B 103 58.547 20.475 31.191 1.00 4.47 N +ATOM 2656 CA VAL B 103 57.287 19.731 31.146 1.00 4.47 C +ATOM 2657 C VAL B 103 56.530 19.779 32.471 1.00 4.44 C +ATOM 2658 O VAL B 103 57.140 19.811 33.540 1.00 4.33 O +ATOM 2659 CB VAL B 103 57.540 18.246 30.767 1.00 4.53 C +ATOM 2660 CG1 VAL B 103 58.347 17.554 31.860 1.00 5.19 C +ATOM 2661 CG2 VAL B 103 56.217 17.523 30.530 1.00 5.29 C +ATOM 2662 N VAL B 104 55.200 19.785 32.405 1.00 4.40 N +ATOM 2663 CA VAL B 104 54.415 19.815 33.631 1.00 4.47 C +ATOM 2664 C VAL B 104 54.141 18.410 34.152 1.00 4.69 C +ATOM 2665 O VAL B 104 53.605 17.555 33.444 1.00 4.91 O +ATOM 2666 CB VAL B 104 53.059 20.532 33.448 1.00 4.53 C +ATOM 2667 CG1 VAL B 104 52.366 20.661 34.802 1.00 4.59 C +ATOM 2668 CG2 VAL B 104 53.268 21.910 32.833 1.00 4.54 C +ATOM 2669 N PHE B 105 54.532 18.194 35.401 1.00 4.73 N +ATOM 2670 CA PHE B 105 54.353 16.929 36.098 1.00 5.05 C +ATOM 2671 C PHE B 105 52.851 16.706 36.307 1.00 5.20 C +ATOM 2672 O PHE B 105 52.101 17.663 36.487 1.00 4.88 O +ATOM 2673 CB PHE B 105 55.085 17.036 37.444 1.00 5.43 C +ATOM 2674 CG PHE B 105 55.035 15.795 38.287 1.00 6.01 C +ATOM 2675 CD1 PHE B 105 53.966 15.557 39.145 1.00 6.31 C +ATOM 2676 CD2 PHE B 105 56.083 14.880 38.248 1.00 6.29 C +ATOM 2677 CE1 PHE B 105 53.945 14.422 39.958 1.00 6.61 C +ATOM 2678 CE2 PHE B 105 56.074 13.747 39.053 1.00 6.68 C +ATOM 2679 CZ PHE B 105 55.000 13.518 39.912 1.00 6.70 C +ATOM 2680 N PRO B 106 52.386 15.446 36.252 1.00 5.17 N +ATOM 2681 CA PRO B 106 50.953 15.191 36.458 1.00 5.56 C +ATOM 2682 C PRO B 106 50.656 15.276 37.954 1.00 5.95 C +ATOM 2683 O PRO B 106 50.465 14.262 38.638 1.00 6.00 O +ATOM 2684 CB PRO B 106 50.764 13.787 35.878 1.00 5.52 C +ATOM 2685 CG PRO B 106 52.080 13.138 36.125 1.00 5.53 C +ATOM 2686 CD PRO B 106 53.082 14.227 35.802 1.00 5.39 C +ATOM 2687 N TYR B 107 50.627 16.509 38.452 1.00 6.17 N +ATOM 2688 CA TYR B 107 50.408 16.761 39.868 1.00 6.22 C +ATOM 2689 C TYR B 107 49.027 16.390 40.397 1.00 6.65 C +ATOM 2690 O TYR B 107 48.908 15.983 41.554 1.00 6.60 O +ATOM 2691 CB TYR B 107 50.761 18.223 40.205 1.00 6.23 C +ATOM 2692 CG TYR B 107 49.878 19.271 39.572 1.00 6.18 C +ATOM 2693 CD1 TYR B 107 48.692 19.672 40.184 1.00 6.09 C +ATOM 2694 CD2 TYR B 107 50.238 19.878 38.370 1.00 6.08 C +ATOM 2695 CE1 TYR B 107 47.887 20.655 39.617 1.00 6.27 C +ATOM 2696 CE2 TYR B 107 49.442 20.861 37.794 1.00 6.22 C +ATOM 2697 CZ TYR B 107 48.270 21.247 38.423 1.00 6.16 C +ATOM 2698 OH TYR B 107 47.488 22.234 37.870 1.00 6.41 O +ATOM 2699 N ARG B 108 47.987 16.514 39.578 1.00 6.90 N +ATOM 2700 CA ARG B 108 46.657 16.141 40.048 1.00 7.46 C +ATOM 2701 C ARG B 108 46.599 14.631 40.251 1.00 7.21 C +ATOM 2702 O ARG B 108 45.945 14.146 41.170 1.00 7.12 O +ATOM 2703 CB ARG B 108 45.573 16.592 39.065 1.00 8.54 C +ATOM 2704 CG ARG B 108 45.314 18.095 39.099 1.00 10.26 C +ATOM 2705 CD ARG B 108 44.067 18.456 38.307 1.00 12.01 C +ATOM 2706 NE ARG B 108 44.148 17.962 36.936 1.00 13.75 N +ATOM 2707 CZ ARG B 108 45.040 18.381 36.046 1.00 14.35 C +ATOM 2708 NH1 ARG B 108 45.924 19.311 36.382 1.00 15.40 N +ATOM 2709 NH2 ARG B 108 45.061 17.859 34.829 1.00 14.52 N +ATOM 2710 N ALA B 109 47.298 13.884 39.402 1.00 6.95 N +ATOM 2711 CA ALA B 109 47.321 12.433 39.540 1.00 6.87 C +ATOM 2712 C ALA B 109 48.004 12.066 40.858 1.00 6.93 C +ATOM 2713 O ALA B 109 47.559 11.162 41.564 1.00 6.86 O +ATOM 2714 CB ALA B 109 48.060 11.805 38.366 1.00 6.83 C +ATOM 2715 N LEU B 110 49.083 12.774 41.191 1.00 6.96 N +ATOM 2716 CA LEU B 110 49.806 12.524 42.435 1.00 7.22 C +ATOM 2717 C LEU B 110 48.914 12.839 43.632 1.00 7.58 C +ATOM 2718 O LEU B 110 48.926 12.125 44.634 1.00 7.64 O +ATOM 2719 CB LEU B 110 51.072 13.383 42.504 1.00 7.18 C +ATOM 2720 CG LEU B 110 51.850 13.281 43.819 1.00 7.32 C +ATOM 2721 CD1 LEU B 110 52.351 11.859 44.008 1.00 7.77 C +ATOM 2722 CD2 LEU B 110 53.009 14.256 43.811 1.00 7.43 C +ATOM 2723 N MET B 111 48.152 13.921 43.528 1.00 7.97 N +ATOM 2724 CA MET B 111 47.245 14.314 44.598 1.00 8.64 C +ATOM 2725 C MET B 111 46.175 13.240 44.762 1.00 8.72 C +ATOM 2726 O MET B 111 45.606 13.074 45.845 1.00 8.93 O +ATOM 2727 CB MET B 111 46.618 15.672 44.271 1.00 8.86 C +ATOM 2728 CG MET B 111 47.631 16.814 44.315 1.00 9.80 C +ATOM 2729 SD MET B 111 47.081 18.371 43.588 1.00 10.61 S +ATOM 2730 CE MET B 111 46.207 19.087 44.964 1.00 11.01 C +ATOM 2731 N ALA B 112 45.923 12.497 43.686 1.00 8.91 N +ATOM 2732 CA ALA B 112 44.937 11.422 43.698 1.00 9.09 C +ATOM 2733 C ALA B 112 45.584 10.099 44.114 1.00 9.15 C +ATOM 2734 O ALA B 112 44.971 9.035 44.009 1.00 9.89 O +ATOM 2735 CB ALA B 112 44.288 11.289 42.319 1.00 9.06 C +ATOM 2736 N GLY B 113 46.829 10.170 44.574 1.00 9.01 N +ATOM 2737 CA GLY B 113 47.518 8.977 45.035 1.00 8.68 C +ATOM 2738 C GLY B 113 48.262 8.156 44.002 1.00 8.51 C +ATOM 2739 O GLY B 113 48.716 7.057 44.308 1.00 8.79 O +ATOM 2740 N ASN B 114 48.399 8.678 42.787 1.00 8.19 N +ATOM 2741 CA ASN B 114 49.105 7.956 41.729 1.00 7.91 C +ATOM 2742 C ASN B 114 50.505 8.534 41.533 1.00 8.00 C +ATOM 2743 O ASN B 114 50.667 9.600 40.938 1.00 8.05 O +ATOM 2744 CB ASN B 114 48.325 8.056 40.417 1.00 7.68 C +ATOM 2745 CG ASN B 114 48.912 7.191 39.317 1.00 7.43 C +ATOM 2746 OD1 ASN B 114 50.060 6.759 39.392 1.00 7.51 O +ATOM 2747 ND2 ASN B 114 48.128 6.954 38.277 1.00 7.65 N +ATOM 2748 N GLU B 115 51.516 7.832 42.032 1.00 8.14 N +ATOM 2749 CA GLU B 115 52.893 8.295 41.896 1.00 8.45 C +ATOM 2750 C GLU B 115 53.564 7.725 40.652 1.00 8.25 C +ATOM 2751 O GLU B 115 54.501 8.316 40.115 1.00 8.21 O +ATOM 2752 CB GLU B 115 53.721 7.899 43.122 1.00 9.36 C +ATOM 2753 CG GLU B 115 53.122 8.311 44.455 1.00 10.68 C +ATOM 2754 CD GLU B 115 54.061 8.044 45.617 1.00 11.58 C +ATOM 2755 OE1 GLU B 115 54.965 7.194 45.472 1.00 12.42 O +ATOM 2756 OE2 GLU B 115 53.885 8.677 46.678 1.00 12.57 O +ATOM 2757 N GLN B 116 53.074 6.581 40.187 1.00 7.81 N +ATOM 2758 CA GLN B 116 53.662 5.923 39.028 1.00 7.77 C +ATOM 2759 C GLN B 116 53.531 6.674 37.713 1.00 7.28 C +ATOM 2760 O GLN B 116 54.484 6.730 36.941 1.00 7.35 O +ATOM 2761 CB GLN B 116 53.070 4.523 38.854 1.00 8.03 C +ATOM 2762 CG GLN B 116 53.883 3.644 37.919 1.00 9.23 C +ATOM 2763 CD GLN B 116 55.291 3.419 38.434 1.00 9.81 C +ATOM 2764 OE1 GLN B 116 55.479 2.966 39.562 1.00 10.64 O +ATOM 2765 NE2 GLN B 116 56.288 3.735 37.613 1.00 10.31 N +ATOM 2766 N VAL B 117 52.365 7.248 37.444 1.00 7.05 N +ATOM 2767 CA VAL B 117 52.191 7.954 36.185 1.00 6.82 C +ATOM 2768 C VAL B 117 53.167 9.127 36.070 1.00 6.69 C +ATOM 2769 O VAL B 117 53.704 9.383 34.994 1.00 6.54 O +ATOM 2770 CB VAL B 117 50.720 8.428 35.995 1.00 6.79 C +ATOM 2771 CG1 VAL B 117 50.360 9.498 37.016 1.00 6.96 C +ATOM 2772 CG2 VAL B 117 50.519 8.933 34.571 1.00 7.12 C +ATOM 2773 N GLY B 118 53.417 9.821 37.179 1.00 6.55 N +ATOM 2774 CA GLY B 118 54.349 10.938 37.152 1.00 6.32 C +ATOM 2775 C GLY B 118 55.764 10.475 36.855 1.00 6.22 C +ATOM 2776 O GLY B 118 56.496 11.119 36.101 1.00 6.09 O +ATOM 2777 N PHE B 119 56.160 9.355 37.451 1.00 6.22 N +ATOM 2778 CA PHE B 119 57.490 8.816 37.216 1.00 6.12 C +ATOM 2779 C PHE B 119 57.618 8.441 35.741 1.00 6.07 C +ATOM 2780 O PHE B 119 58.575 8.829 35.074 1.00 5.68 O +ATOM 2781 CB PHE B 119 57.731 7.586 38.102 1.00 6.31 C +ATOM 2782 CG PHE B 119 59.065 6.924 37.878 1.00 6.47 C +ATOM 2783 CD1 PHE B 119 59.242 6.012 36.838 1.00 6.74 C +ATOM 2784 CD2 PHE B 119 60.153 7.228 38.690 1.00 6.78 C +ATOM 2785 CE1 PHE B 119 60.482 5.414 36.612 1.00 6.97 C +ATOM 2786 CE2 PHE B 119 61.398 6.635 38.471 1.00 6.95 C +ATOM 2787 CZ PHE B 119 61.561 5.727 37.429 1.00 7.02 C +ATOM 2788 N ASP B 120 56.643 7.699 35.228 1.00 6.07 N +ATOM 2789 CA ASP B 120 56.681 7.278 33.832 1.00 6.46 C +ATOM 2790 C ASP B 120 56.624 8.436 32.842 1.00 6.17 C +ATOM 2791 O ASP B 120 57.282 8.395 31.804 1.00 6.09 O +ATOM 2792 CB ASP B 120 55.540 6.300 33.535 1.00 7.21 C +ATOM 2793 CG ASP B 120 55.743 4.942 34.186 1.00 8.02 C +ATOM 2794 OD1 ASP B 120 56.781 4.733 34.845 1.00 9.08 O +ATOM 2795 OD2 ASP B 120 54.854 4.078 34.028 1.00 9.34 O +ATOM 2796 N LEU B 121 55.839 9.464 33.153 1.00 6.05 N +ATOM 2797 CA LEU B 121 55.725 10.602 32.245 1.00 6.03 C +ATOM 2798 C LEU B 121 57.047 11.354 32.151 1.00 5.95 C +ATOM 2799 O LEU B 121 57.512 11.669 31.059 1.00 5.96 O +ATOM 2800 CB LEU B 121 54.602 11.539 32.703 1.00 6.12 C +ATOM 2801 CG LEU B 121 54.149 12.612 31.704 1.00 6.08 C +ATOM 2802 CD1 LEU B 121 52.688 12.971 31.961 1.00 6.48 C +ATOM 2803 CD2 LEU B 121 55.035 13.839 31.811 1.00 6.24 C +ATOM 2804 N VAL B 122 57.657 11.635 33.297 1.00 5.88 N +ATOM 2805 CA VAL B 122 58.932 12.336 33.305 1.00 6.12 C +ATOM 2806 C VAL B 122 60.010 11.488 32.631 1.00 6.35 C +ATOM 2807 O VAL B 122 60.781 11.988 31.812 1.00 6.72 O +ATOM 2808 CB VAL B 122 59.380 12.672 34.750 1.00 5.75 C +ATOM 2809 CG1 VAL B 122 60.816 13.183 34.749 1.00 5.77 C +ATOM 2810 CG2 VAL B 122 58.456 13.725 35.345 1.00 6.08 C +ATOM 2811 N LYS B 123 60.055 10.202 32.962 1.00 6.65 N +ATOM 2812 CA LYS B 123 61.054 9.316 32.384 1.00 7.07 C +ATOM 2813 C LYS B 123 60.971 9.266 30.860 1.00 6.91 C +ATOM 2814 O LYS B 123 61.993 9.329 30.177 1.00 6.96 O +ATOM 2815 CB LYS B 123 60.905 7.907 32.965 1.00 7.76 C +ATOM 2816 CG LYS B 123 61.962 6.922 32.482 1.00 9.00 C +ATOM 2817 CD LYS B 123 61.819 5.583 33.187 1.00 10.41 C +ATOM 2818 CE LYS B 123 62.845 4.578 32.692 1.00 11.53 C +ATOM 2819 NZ LYS B 123 62.672 3.270 33.382 1.00 12.91 N +ATOM 2820 N ALA B 124 59.757 9.156 30.331 1.00 6.49 N +ATOM 2821 CA ALA B 124 59.564 9.094 28.886 1.00 6.51 C +ATOM 2822 C ALA B 124 60.065 10.370 28.220 1.00 6.47 C +ATOM 2823 O ALA B 124 60.753 10.322 27.200 1.00 6.61 O +ATOM 2824 CB ALA B 124 58.090 8.877 28.565 1.00 6.70 C +ATOM 2825 N CYS B 125 59.720 11.515 28.800 1.00 6.43 N +ATOM 2826 CA CYS B 125 60.145 12.786 28.236 1.00 6.65 C +ATOM 2827 C CYS B 125 61.651 12.976 28.368 1.00 6.66 C +ATOM 2828 O CYS B 125 62.290 13.517 27.466 1.00 6.78 O +ATOM 2829 CB CYS B 125 59.387 13.940 28.899 1.00 6.69 C +ATOM 2830 SG CYS B 125 57.607 13.964 28.505 1.00 7.25 S +ATOM 2831 N LYS B 126 62.222 12.528 29.484 1.00 6.81 N +ATOM 2832 CA LYS B 126 63.664 12.646 29.687 1.00 7.11 C +ATOM 2833 C LYS B 126 64.409 11.800 28.660 1.00 7.48 C +ATOM 2834 O LYS B 126 65.418 12.230 28.116 1.00 7.49 O +ATOM 2835 CB LYS B 126 64.057 12.202 31.103 1.00 6.96 C +ATOM 2836 CG LYS B 126 65.568 12.068 31.331 1.00 7.16 C +ATOM 2837 CD LYS B 126 66.307 13.389 31.132 1.00 7.37 C +ATOM 2838 CE LYS B 126 67.814 13.240 31.340 1.00 7.66 C +ATOM 2839 NZ LYS B 126 68.187 12.915 32.748 1.00 8.38 N +ATOM 2840 N GLU B 127 63.910 10.597 28.397 1.00 7.87 N +ATOM 2841 CA GLU B 127 64.552 9.715 27.427 1.00 8.45 C +ATOM 2842 C GLU B 127 64.610 10.379 26.054 1.00 8.04 C +ATOM 2843 O GLU B 127 65.644 10.351 25.380 1.00 8.17 O +ATOM 2844 CB GLU B 127 63.801 8.382 27.346 1.00 9.67 C +ATOM 2845 CG GLU B 127 64.079 7.443 28.518 1.00 11.98 C +ATOM 2846 CD GLU B 127 63.364 6.111 28.380 1.00 13.26 C +ATOM 2847 OE1 GLU B 127 63.395 5.531 27.272 1.00 14.57 O +ATOM 2848 OE2 GLU B 127 62.784 5.636 29.380 1.00 14.90 O +ATOM 2849 N ALA B 128 63.502 10.991 25.652 1.00 7.55 N +ATOM 2850 CA ALA B 128 63.427 11.674 24.368 1.00 7.23 C +ATOM 2851 C ALA B 128 64.389 12.866 24.327 1.00 7.13 C +ATOM 2852 O ALA B 128 65.139 13.042 23.363 1.00 6.99 O +ATOM 2853 CB ALA B 128 61.999 12.143 24.124 1.00 7.26 C +ATOM 2854 N CYS B 129 64.370 13.683 25.373 1.00 6.99 N +ATOM 2855 CA CYS B 129 65.236 14.852 25.431 1.00 7.02 C +ATOM 2856 C CYS B 129 66.717 14.488 25.475 1.00 7.24 C +ATOM 2857 O CYS B 129 67.525 15.065 24.746 1.00 7.19 O +ATOM 2858 CB CYS B 129 64.879 15.713 26.645 1.00 6.60 C +ATOM 2859 SG CYS B 129 63.292 16.569 26.506 1.00 6.40 S +ATOM 2860 N ALA B 130 67.073 13.538 26.334 1.00 7.62 N +ATOM 2861 CA ALA B 130 68.465 13.119 26.459 1.00 8.04 C +ATOM 2862 C ALA B 130 69.022 12.643 25.121 1.00 8.23 C +ATOM 2863 O ALA B 130 70.153 12.970 24.764 1.00 8.38 O +ATOM 2864 CB ALA B 130 68.588 12.019 27.497 1.00 8.29 C +ATOM 2865 N ALA B 131 68.226 11.878 24.381 1.00 8.40 N +ATOM 2866 CA ALA B 131 68.659 11.363 23.084 1.00 8.66 C +ATOM 2867 C ALA B 131 68.916 12.487 22.083 1.00 8.90 C +ATOM 2868 O ALA B 131 69.661 12.306 21.116 1.00 9.09 O +ATOM 2869 CB ALA B 131 67.616 10.401 22.529 1.00 8.86 C +ATOM 2870 N ALA B 132 68.307 13.645 22.318 1.00 8.78 N +ATOM 2871 CA ALA B 132 68.470 14.792 21.430 1.00 8.79 C +ATOM 2872 C ALA B 132 69.355 15.880 22.032 1.00 8.89 C +ATOM 2873 O ALA B 132 69.431 16.989 21.501 1.00 8.67 O +ATOM 2874 CB ALA B 132 67.099 15.375 21.073 1.00 8.64 C +ATOM 2875 N ASN B 133 70.021 15.559 23.137 1.00 9.02 N +ATOM 2876 CA ASN B 133 70.896 16.509 23.822 1.00 9.47 C +ATOM 2877 C ASN B 133 70.119 17.747 24.248 1.00 9.05 C +ATOM 2878 O ASN B 133 70.590 18.878 24.118 1.00 9.31 O +ATOM 2879 CB ASN B 133 72.064 16.902 22.917 1.00 10.75 C +ATOM 2880 CG ASN B 133 72.915 15.713 22.524 1.00 12.01 C +ATOM 2881 OD1 ASN B 133 73.472 15.027 23.380 1.00 13.33 O +ATOM 2882 ND2 ASN B 133 73.016 15.460 21.225 1.00 13.03 N +ATOM 2883 N VAL B 134 68.918 17.504 24.758 1.00 8.08 N +ATOM 2884 CA VAL B 134 68.018 18.547 25.231 1.00 7.65 C +ATOM 2885 C VAL B 134 67.810 18.328 26.726 1.00 7.32 C +ATOM 2886 O VAL B 134 67.595 17.200 27.160 1.00 7.21 O +ATOM 2887 CB VAL B 134 66.649 18.449 24.504 1.00 7.43 C +ATOM 2888 CG1 VAL B 134 65.617 19.354 25.172 1.00 7.20 C +ATOM 2889 CG2 VAL B 134 66.816 18.829 23.039 1.00 7.66 C +ATOM 2890 N LEU B 135 67.890 19.399 27.510 1.00 6.97 N +ATOM 2891 CA LEU B 135 67.685 19.290 28.954 1.00 6.95 C +ATOM 2892 C LEU B 135 66.196 19.299 29.287 1.00 6.58 C +ATOM 2893 O LEU B 135 65.401 19.956 28.611 1.00 6.72 O +ATOM 2894 CB LEU B 135 68.377 20.443 29.692 1.00 7.87 C +ATOM 2895 CG LEU B 135 69.907 20.457 29.717 1.00 8.67 C +ATOM 2896 CD1 LEU B 135 70.386 21.651 30.524 1.00 9.16 C +ATOM 2897 CD2 LEU B 135 70.429 19.165 30.328 1.00 9.30 C +ATOM 2898 N LEU B 136 65.827 18.575 30.340 1.00 6.06 N +ATOM 2899 CA LEU B 136 64.435 18.502 30.762 1.00 5.69 C +ATOM 2900 C LEU B 136 64.204 19.091 32.148 1.00 5.40 C +ATOM 2901 O LEU B 136 64.817 18.655 33.127 1.00 5.65 O +ATOM 2902 CB LEU B 136 63.950 17.049 30.778 1.00 5.76 C +ATOM 2903 CG LEU B 136 62.481 16.887 31.188 1.00 5.52 C +ATOM 2904 CD1 LEU B 136 61.590 17.269 30.013 1.00 5.61 C +ATOM 2905 CD2 LEU B 136 62.204 15.452 31.619 1.00 5.50 C +ATOM 2906 N LYS B 137 63.333 20.091 32.232 1.00 4.98 N +ATOM 2907 CA LYS B 137 62.983 20.679 33.522 1.00 4.87 C +ATOM 2908 C LYS B 137 61.583 20.147 33.804 1.00 4.76 C +ATOM 2909 O LYS B 137 60.811 19.923 32.874 1.00 4.92 O +ATOM 2910 CB LYS B 137 62.932 22.213 33.467 1.00 5.03 C +ATOM 2911 CG LYS B 137 64.179 22.901 32.917 1.00 4.99 C +ATOM 2912 CD LYS B 137 64.234 24.356 33.376 1.00 5.90 C +ATOM 2913 CE LYS B 137 65.218 25.178 32.557 1.00 6.10 C +ATOM 2914 NZ LYS B 137 64.642 25.590 31.238 1.00 6.46 N +ATOM 2915 N VAL B 138 61.260 19.928 35.073 1.00 4.52 N +ATOM 2916 CA VAL B 138 59.940 19.431 35.435 1.00 4.55 C +ATOM 2917 C VAL B 138 59.239 20.400 36.378 1.00 4.36 C +ATOM 2918 O VAL B 138 59.747 20.716 37.457 1.00 4.38 O +ATOM 2919 CB VAL B 138 60.022 18.039 36.101 1.00 4.53 C +ATOM 2920 CG1 VAL B 138 58.617 17.540 36.434 1.00 4.77 C +ATOM 2921 CG2 VAL B 138 60.728 17.059 35.169 1.00 4.81 C +ATOM 2922 N ILE B 139 58.071 20.870 35.944 1.00 4.47 N +ATOM 2923 CA ILE B 139 57.239 21.806 36.696 1.00 4.58 C +ATOM 2924 C ILE B 139 56.316 20.988 37.596 1.00 4.76 C +ATOM 2925 O ILE B 139 55.496 20.221 37.100 1.00 5.09 O +ATOM 2926 CB ILE B 139 56.363 22.646 35.733 1.00 4.49 C +ATOM 2927 CG1 ILE B 139 57.248 23.390 34.728 1.00 4.73 C +ATOM 2928 CG2 ILE B 139 55.500 23.627 36.528 1.00 5.11 C +ATOM 2929 CD1 ILE B 139 56.480 23.925 33.542 1.00 5.16 C +ATOM 2930 N ILE B 140 56.425 21.143 38.911 1.00 4.88 N +ATOM 2931 CA ILE B 140 55.557 20.359 39.786 1.00 5.17 C +ATOM 2932 C ILE B 140 54.297 21.088 40.256 1.00 5.12 C +ATOM 2933 O ILE B 140 53.380 20.460 40.785 1.00 5.35 O +ATOM 2934 CB ILE B 140 56.329 19.813 41.017 1.00 5.31 C +ATOM 2935 CG1 ILE B 140 56.839 20.962 41.887 1.00 5.42 C +ATOM 2936 CG2 ILE B 140 57.488 18.940 40.550 1.00 5.66 C +ATOM 2937 CD1 ILE B 140 57.430 20.494 43.212 1.00 6.00 C +ATOM 2938 N GLU B 141 54.249 22.402 40.035 1.00 5.07 N +ATOM 2939 CA GLU B 141 53.116 23.250 40.423 1.00 5.27 C +ATOM 2940 C GLU B 141 52.877 23.260 41.933 1.00 5.49 C +ATOM 2941 O GLU B 141 51.843 22.804 42.435 1.00 5.49 O +ATOM 2942 CB GLU B 141 51.837 22.820 39.697 1.00 5.25 C +ATOM 2943 CG GLU B 141 50.797 23.934 39.585 1.00 5.20 C +ATOM 2944 CD GLU B 141 51.207 25.021 38.600 1.00 5.10 C +ATOM 2945 OE1 GLU B 141 52.201 25.737 38.852 1.00 4.77 O +ATOM 2946 OE2 GLU B 141 50.535 25.155 37.555 1.00 5.27 O +ATOM 2947 N THR B 142 53.851 23.808 42.647 1.00 5.56 N +ATOM 2948 CA THR B 142 53.805 23.905 44.098 1.00 5.90 C +ATOM 2949 C THR B 142 52.540 24.576 44.628 1.00 6.13 C +ATOM 2950 O THR B 142 52.040 24.208 45.690 1.00 5.91 O +ATOM 2951 CB THR B 142 55.039 24.663 44.611 1.00 5.99 C +ATOM 2952 OG1 THR B 142 55.140 25.922 43.933 1.00 6.21 O +ATOM 2953 CG2 THR B 142 56.302 23.852 44.341 1.00 5.92 C +ATOM 2954 N GLY B 143 52.033 25.559 43.889 1.00 6.14 N +ATOM 2955 CA GLY B 143 50.835 26.268 44.303 1.00 6.58 C +ATOM 2956 C GLY B 143 49.616 25.373 44.422 1.00 6.99 C +ATOM 2957 O GLY B 143 48.775 25.577 45.295 1.00 7.58 O +ATOM 2958 N GLU B 144 49.510 24.380 43.546 1.00 7.11 N +ATOM 2959 CA GLU B 144 48.375 23.462 43.590 1.00 7.52 C +ATOM 2960 C GLU B 144 48.634 22.299 44.548 1.00 7.67 C +ATOM 2961 O GLU B 144 47.719 21.835 45.226 1.00 7.43 O +ATOM 2962 CB GLU B 144 48.055 22.948 42.183 1.00 7.93 C +ATOM 2963 CG GLU B 144 47.492 24.022 41.256 1.00 8.45 C +ATOM 2964 CD GLU B 144 46.207 24.631 41.786 1.00 9.22 C +ATOM 2965 OE1 GLU B 144 45.214 23.887 41.932 1.00 10.19 O +ATOM 2966 OE2 GLU B 144 46.185 25.852 42.058 1.00 9.28 O +ATOM 2967 N LEU B 145 49.877 21.830 44.609 1.00 7.87 N +ATOM 2968 CA LEU B 145 50.220 20.739 45.520 1.00 8.32 C +ATOM 2969 C LEU B 145 49.987 21.217 46.953 1.00 8.86 C +ATOM 2970 O LEU B 145 49.435 20.486 47.779 1.00 8.90 O +ATOM 2971 CB LEU B 145 51.681 20.316 45.327 1.00 8.05 C +ATOM 2972 CG LEU B 145 51.987 19.565 44.026 1.00 7.73 C +ATOM 2973 CD1 LEU B 145 53.482 19.304 43.921 1.00 8.01 C +ATOM 2974 CD2 LEU B 145 51.212 18.256 44.005 1.00 7.83 C +ATOM 2975 N LYS B 146 50.425 22.448 47.223 1.00 9.58 N +ATOM 2976 CA LYS B 146 50.257 23.115 48.514 1.00 10.50 C +ATOM 2977 C LYS B 146 50.991 22.535 49.723 1.00 10.65 C +ATOM 2978 O LYS B 146 51.777 23.232 50.367 1.00 10.78 O +ATOM 2979 CB LYS B 146 48.765 23.222 48.844 1.00 11.19 C +ATOM 2980 CG LYS B 146 47.924 23.811 47.724 1.00 12.68 C +ATOM 2981 CD LYS B 146 46.456 23.889 48.114 1.00 13.43 C +ATOM 2982 CE LYS B 146 45.560 24.089 46.898 1.00 14.39 C +ATOM 2983 NZ LYS B 146 45.512 22.876 46.026 1.00 14.55 N +ATOM 2984 N ASP B 147 50.726 21.271 50.038 1.00 10.88 N +ATOM 2985 CA ASP B 147 51.341 20.623 51.193 1.00 11.25 C +ATOM 2986 C ASP B 147 52.817 20.301 51.000 1.00 10.82 C +ATOM 2987 O ASP B 147 53.222 19.819 49.943 1.00 10.43 O +ATOM 2988 CB ASP B 147 50.579 19.342 51.531 1.00 12.41 C +ATOM 2989 CG ASP B 147 49.097 19.585 51.733 1.00 13.68 C +ATOM 2990 OD1 ASP B 147 48.746 20.503 52.502 1.00 14.67 O +ATOM 2991 OD2 ASP B 147 48.284 18.854 51.126 1.00 15.08 O +ATOM 2992 N GLU B 148 53.617 20.553 52.034 1.00 10.54 N +ATOM 2993 CA GLU B 148 55.050 20.294 51.967 1.00 10.46 C +ATOM 2994 C GLU B 148 55.356 18.855 51.561 1.00 10.11 C +ATOM 2995 O GLU B 148 56.237 18.616 50.738 1.00 9.85 O +ATOM 2996 CB GLU B 148 55.721 20.599 53.311 1.00 11.27 C +ATOM 2997 CG GLU B 148 57.242 20.596 53.231 1.00 12.49 C +ATOM 2998 CD GLU B 148 57.914 20.870 54.562 1.00 13.19 C +ATOM 2999 OE1 GLU B 148 57.294 21.527 55.425 1.00 14.20 O +ATOM 3000 OE2 GLU B 148 59.074 20.441 54.734 1.00 14.11 O +ATOM 3001 N ALA B 149 54.630 17.901 52.136 1.00 9.70 N +ATOM 3002 CA ALA B 149 54.846 16.495 51.816 1.00 9.29 C +ATOM 3003 C ALA B 149 54.652 16.228 50.328 1.00 8.87 C +ATOM 3004 O ALA B 149 55.444 15.511 49.716 1.00 8.82 O +ATOM 3005 CB ALA B 149 53.907 15.621 52.626 1.00 9.54 C +ATOM 3006 N LEU B 150 53.601 16.797 49.746 1.00 8.52 N +ATOM 3007 CA LEU B 150 53.338 16.601 48.325 1.00 8.30 C +ATOM 3008 C LEU B 150 54.380 17.283 47.448 1.00 7.97 C +ATOM 3009 O LEU B 150 54.762 16.747 46.412 1.00 7.62 O +ATOM 3010 CB LEU B 150 51.937 17.101 47.964 1.00 8.79 C +ATOM 3011 CG LEU B 150 50.799 16.136 48.311 1.00 9.12 C +ATOM 3012 CD1 LEU B 150 49.458 16.816 48.104 1.00 9.43 C +ATOM 3013 CD2 LEU B 150 50.911 14.884 47.442 1.00 9.67 C +ATOM 3014 N ILE B 151 54.838 18.461 47.859 1.00 7.66 N +ATOM 3015 CA ILE B 151 55.847 19.179 47.093 1.00 7.57 C +ATOM 3016 C ILE B 151 57.137 18.360 47.098 1.00 7.49 C +ATOM 3017 O ILE B 151 57.801 18.221 46.068 1.00 7.40 O +ATOM 3018 CB ILE B 151 56.095 20.587 47.685 1.00 7.60 C +ATOM 3019 CG1 ILE B 151 54.868 21.470 47.429 1.00 7.60 C +ATOM 3020 CG2 ILE B 151 57.345 21.204 47.073 1.00 7.50 C +ATOM 3021 CD1 ILE B 151 54.939 22.848 48.059 1.00 7.99 C +ATOM 3022 N ARG B 152 57.478 17.796 48.253 1.00 7.52 N +ATOM 3023 CA ARG B 152 58.682 16.979 48.360 1.00 7.82 C +ATOM 3024 C ARG B 152 58.549 15.709 47.520 1.00 7.67 C +ATOM 3025 O ARG B 152 59.481 15.325 46.814 1.00 7.40 O +ATOM 3026 CB ARG B 152 58.958 16.602 49.823 1.00 8.77 C +ATOM 3027 CG ARG B 152 59.348 17.773 50.719 1.00 9.93 C +ATOM 3028 CD ARG B 152 59.758 17.290 52.110 1.00 11.16 C +ATOM 3029 NE ARG B 152 60.967 16.472 52.065 1.00 12.91 N +ATOM 3030 CZ ARG B 152 62.202 16.961 51.994 1.00 13.35 C +ATOM 3031 NH1 ARG B 152 62.401 18.274 51.971 1.00 14.11 N +ATOM 3032 NH2 ARG B 152 63.237 16.134 51.923 1.00 14.09 N +ATOM 3033 N LYS B 153 57.387 15.064 47.589 1.00 7.50 N +ATOM 3034 CA LYS B 153 57.158 13.831 46.838 1.00 7.47 C +ATOM 3035 C LYS B 153 57.247 14.048 45.325 1.00 7.15 C +ATOM 3036 O LYS B 153 57.876 13.264 44.615 1.00 6.99 O +ATOM 3037 CB LYS B 153 55.795 13.234 47.211 1.00 8.17 C +ATOM 3038 CG LYS B 153 55.472 11.917 46.514 1.00 8.99 C +ATOM 3039 CD LYS B 153 56.535 10.854 46.756 1.00 9.91 C +ATOM 3040 CE LYS B 153 56.635 10.474 48.225 1.00 10.45 C +ATOM 3041 NZ LYS B 153 57.674 9.431 48.436 1.00 11.18 N +ATOM 3042 N ALA B 154 56.622 15.110 44.832 1.00 6.70 N +ATOM 3043 CA ALA B 154 56.664 15.407 43.405 1.00 6.53 C +ATOM 3044 C ALA B 154 58.105 15.689 42.976 1.00 6.41 C +ATOM 3045 O ALA B 154 58.531 15.278 41.900 1.00 6.27 O +ATOM 3046 CB ALA B 154 55.777 16.604 43.094 1.00 6.36 C +ATOM 3047 N SER B 155 58.851 16.396 43.820 1.00 6.47 N +ATOM 3048 CA SER B 155 60.246 16.705 43.522 1.00 6.45 C +ATOM 3049 C SER B 155 61.059 15.412 43.478 1.00 6.69 C +ATOM 3050 O SER B 155 61.830 15.177 42.545 1.00 6.50 O +ATOM 3051 CB SER B 155 60.824 17.643 44.588 1.00 6.41 C +ATOM 3052 OG SER B 155 60.133 18.883 44.611 1.00 6.55 O +ATOM 3053 N GLU B 156 60.867 14.571 44.489 1.00 6.95 N +ATOM 3054 CA GLU B 156 61.571 13.296 44.585 1.00 7.51 C +ATOM 3055 C GLU B 156 61.319 12.399 43.373 1.00 7.16 C +ATOM 3056 O GLU B 156 62.259 11.866 42.781 1.00 7.07 O +ATOM 3057 CB GLU B 156 61.149 12.576 45.869 1.00 8.46 C +ATOM 3058 CG GLU B 156 61.584 11.121 45.955 1.00 10.75 C +ATOM 3059 CD GLU B 156 61.139 10.458 47.247 1.00 11.83 C +ATOM 3060 OE1 GLU B 156 60.027 10.768 47.725 1.00 12.67 O +ATOM 3061 OE2 GLU B 156 61.894 9.615 47.777 1.00 13.23 O +ATOM 3062 N ILE B 157 60.051 12.239 43.008 1.00 6.89 N +ATOM 3063 CA ILE B 157 59.687 11.409 41.866 1.00 6.76 C +ATOM 3064 C ILE B 157 60.320 11.949 40.586 1.00 6.72 C +ATOM 3065 O ILE B 157 60.896 11.195 39.803 1.00 6.75 O +ATOM 3066 CB ILE B 157 58.151 11.350 41.694 1.00 6.84 C +ATOM 3067 CG1 ILE B 157 57.521 10.648 42.901 1.00 7.15 C +ATOM 3068 CG2 ILE B 157 57.792 10.597 40.419 1.00 6.84 C +ATOM 3069 CD1 ILE B 157 56.013 10.696 42.906 1.00 7.33 C +ATOM 3070 N SER B 158 60.221 13.259 40.383 1.00 6.63 N +ATOM 3071 CA SER B 158 60.787 13.888 39.194 1.00 6.44 C +ATOM 3072 C SER B 158 62.287 13.633 39.101 1.00 6.54 C +ATOM 3073 O SER B 158 62.809 13.317 38.030 1.00 6.39 O +ATOM 3074 CB SER B 158 60.515 15.395 39.216 1.00 6.48 C +ATOM 3075 OG SER B 158 59.122 15.656 39.179 1.00 6.72 O +ATOM 3076 N ILE B 159 62.977 13.776 40.227 1.00 6.59 N +ATOM 3077 CA ILE B 159 64.415 13.551 40.273 1.00 6.89 C +ATOM 3078 C ILE B 159 64.760 12.097 39.954 1.00 7.14 C +ATOM 3079 O ILE B 159 65.646 11.829 39.143 1.00 7.30 O +ATOM 3080 CB ILE B 159 64.972 13.958 41.656 1.00 6.74 C +ATOM 3081 CG1 ILE B 159 64.943 15.484 41.773 1.00 6.99 C +ATOM 3082 CG2 ILE B 159 66.389 13.434 41.841 1.00 6.92 C +ATOM 3083 CD1 ILE B 159 65.224 16.013 43.168 1.00 7.18 C +ATOM 3084 N LYS B 160 64.055 11.157 40.578 1.00 7.49 N +ATOM 3085 CA LYS B 160 64.307 9.743 40.321 1.00 7.87 C +ATOM 3086 C LYS B 160 64.042 9.387 38.859 1.00 7.80 C +ATOM 3087 O LYS B 160 64.704 8.512 38.296 1.00 7.95 O +ATOM 3088 CB LYS B 160 63.430 8.872 41.225 1.00 8.51 C +ATOM 3089 CG LYS B 160 63.803 8.938 42.698 1.00 9.50 C +ATOM 3090 CD LYS B 160 62.890 8.054 43.528 1.00 10.33 C +ATOM 3091 CE LYS B 160 63.298 8.039 44.990 1.00 10.99 C +ATOM 3092 NZ LYS B 160 62.322 7.274 45.811 1.00 11.71 N +ATOM 3093 N ALA B 161 63.083 10.076 38.246 1.00 7.50 N +ATOM 3094 CA ALA B 161 62.724 9.824 36.857 1.00 7.40 C +ATOM 3095 C ALA B 161 63.694 10.448 35.855 1.00 7.31 C +ATOM 3096 O ALA B 161 63.607 10.178 34.655 1.00 7.72 O +ATOM 3097 CB ALA B 161 61.307 10.307 36.595 1.00 7.23 C +ATOM 3098 N GLY B 162 64.605 11.288 36.339 1.00 7.17 N +ATOM 3099 CA GLY B 162 65.588 11.886 35.449 1.00 6.91 C +ATOM 3100 C GLY B 162 65.544 13.383 35.193 1.00 6.64 C +ATOM 3101 O GLY B 162 66.219 13.870 34.288 1.00 6.85 O +ATOM 3102 N ALA B 163 64.766 14.124 35.975 1.00 6.52 N +ATOM 3103 CA ALA B 163 64.682 15.570 35.788 1.00 6.32 C +ATOM 3104 C ALA B 163 66.062 16.227 35.877 1.00 6.26 C +ATOM 3105 O ALA B 163 66.845 15.913 36.771 1.00 6.37 O +ATOM 3106 CB ALA B 163 63.752 16.176 36.839 1.00 6.41 C +ATOM 3107 N ASP B 164 66.366 17.129 34.948 1.00 6.03 N +ATOM 3108 CA ASP B 164 67.650 17.828 34.974 1.00 6.02 C +ATOM 3109 C ASP B 164 67.497 19.101 35.798 1.00 5.84 C +ATOM 3110 O ASP B 164 68.483 19.672 36.263 1.00 5.73 O +ATOM 3111 CB ASP B 164 68.111 18.197 33.560 1.00 6.23 C +ATOM 3112 CG ASP B 164 68.374 16.984 32.693 1.00 6.44 C +ATOM 3113 OD1 ASP B 164 69.118 16.083 33.135 1.00 6.83 O +ATOM 3114 OD2 ASP B 164 67.846 16.939 31.564 1.00 6.65 O +ATOM 3115 N PHE B 165 66.242 19.521 35.964 1.00 5.72 N +ATOM 3116 CA PHE B 165 65.856 20.712 36.726 1.00 5.88 C +ATOM 3117 C PHE B 165 64.473 20.461 37.320 1.00 5.67 C +ATOM 3118 O PHE B 165 63.650 19.778 36.705 1.00 5.05 O +ATOM 3119 CB PHE B 165 65.670 21.919 35.797 1.00 6.54 C +ATOM 3120 CG PHE B 165 66.873 22.797 35.631 1.00 7.31 C +ATOM 3121 CD1 PHE B 165 67.094 23.867 36.495 1.00 7.54 C +ATOM 3122 CD2 PHE B 165 67.729 22.621 34.551 1.00 7.57 C +ATOM 3123 CE1 PHE B 165 68.142 24.756 36.280 1.00 8.20 C +ATOM 3124 CE2 PHE B 165 68.782 23.507 34.329 1.00 8.19 C +ATOM 3125 CZ PHE B 165 68.984 24.575 35.194 1.00 8.19 C +ATOM 3126 N ILE B 166 64.217 20.989 38.511 1.00 5.46 N +ATOM 3127 CA ILE B 166 62.873 20.916 39.059 1.00 5.58 C +ATOM 3128 C ILE B 166 62.462 22.388 39.148 1.00 5.36 C +ATOM 3129 O ILE B 166 63.225 23.243 39.615 1.00 5.12 O +ATOM 3130 CB ILE B 166 62.776 20.159 40.423 1.00 5.77 C +ATOM 3131 CG1 ILE B 166 63.784 20.684 41.442 1.00 6.15 C +ATOM 3132 CG2 ILE B 166 62.965 18.666 40.169 1.00 6.51 C +ATOM 3133 CD1 ILE B 166 63.620 20.045 42.825 1.00 6.52 C +ATOM 3134 N LYS B 167 61.268 22.673 38.638 1.00 5.40 N +ATOM 3135 CA LYS B 167 60.732 24.028 38.543 1.00 5.57 C +ATOM 3136 C LYS B 167 59.460 24.152 39.372 1.00 5.51 C +ATOM 3137 O LYS B 167 58.648 23.233 39.413 1.00 5.60 O +ATOM 3138 CB LYS B 167 60.475 24.307 37.055 1.00 5.65 C +ATOM 3139 CG LYS B 167 59.834 25.629 36.686 1.00 5.75 C +ATOM 3140 CD LYS B 167 59.766 25.719 35.164 1.00 5.86 C +ATOM 3141 CE LYS B 167 58.855 26.840 34.699 1.00 6.15 C +ATOM 3142 NZ LYS B 167 58.703 26.856 33.218 1.00 6.76 N +ATOM 3143 N THR B 168 59.272 25.294 40.025 1.00 5.42 N +ATOM 3144 CA THR B 168 58.110 25.458 40.891 1.00 5.52 C +ATOM 3145 C THR B 168 56.732 25.529 40.269 1.00 5.53 C +ATOM 3146 O THR B 168 55.822 24.818 40.704 1.00 5.35 O +ATOM 3147 CB THR B 168 58.205 26.724 41.783 1.00 5.71 C +ATOM 3148 OG1 THR B 168 58.082 27.900 40.971 1.00 5.87 O +ATOM 3149 CG2 THR B 168 59.517 26.754 42.543 1.00 5.90 C +ATOM 3150 N SER B 169 56.571 26.368 39.250 1.00 5.69 N +ATOM 3151 CA SER B 169 55.242 26.585 38.706 1.00 5.60 C +ATOM 3152 C SER B 169 55.135 26.924 37.226 1.00 5.44 C +ATOM 3153 O SER B 169 56.137 27.142 36.543 1.00 5.50 O +ATOM 3154 CB SER B 169 54.591 27.714 39.504 1.00 6.27 C +ATOM 3155 OG SER B 169 55.131 27.793 40.819 1.00 5.98 O +ATOM 3156 N THR B 170 53.886 26.985 36.763 1.00 5.36 N +ATOM 3157 CA THR B 170 53.552 27.318 35.377 1.00 5.24 C +ATOM 3158 C THR B 170 53.301 28.807 35.179 1.00 5.47 C +ATOM 3159 O THR B 170 53.350 29.297 34.052 1.00 5.24 O +ATOM 3160 CB THR B 170 52.256 26.623 34.911 1.00 4.82 C +ATOM 3161 OG1 THR B 170 51.157 27.059 35.731 1.00 4.89 O +ATOM 3162 CG2 THR B 170 52.398 25.116 34.992 1.00 5.12 C +ATOM 3163 N GLY B 171 53.014 29.514 36.269 1.00 5.67 N +ATOM 3164 CA GLY B 171 52.712 30.929 36.170 1.00 5.96 C +ATOM 3165 C GLY B 171 51.273 31.104 35.714 1.00 6.10 C +ATOM 3166 O GLY B 171 50.853 32.210 35.383 1.00 6.17 O +ATOM 3167 N LYS B 172 50.515 30.009 35.701 1.00 6.16 N +ATOM 3168 CA LYS B 172 49.120 30.031 35.255 1.00 6.62 C +ATOM 3169 C LYS B 172 48.101 29.737 36.357 1.00 6.56 C +ATOM 3170 O LYS B 172 46.893 29.718 36.099 1.00 7.15 O +ATOM 3171 CB LYS B 172 48.920 29.022 34.118 1.00 7.02 C +ATOM 3172 CG LYS B 172 49.782 29.265 32.886 1.00 7.80 C +ATOM 3173 CD LYS B 172 49.403 30.565 32.201 1.00 8.50 C +ATOM 3174 CE LYS B 172 50.193 30.773 30.917 1.00 9.12 C +ATOM 3175 NZ LYS B 172 49.754 32.019 30.235 1.00 10.58 N +ATOM 3176 N VAL B 173 48.580 29.488 37.573 1.00 6.42 N +ATOM 3177 CA VAL B 173 47.687 29.206 38.690 1.00 6.52 C +ATOM 3178 C VAL B 173 47.745 30.331 39.723 1.00 6.52 C +ATOM 3179 O VAL B 173 48.571 31.240 39.616 1.00 6.56 O +ATOM 3180 CB VAL B 173 48.028 27.845 39.353 1.00 6.40 C +ATOM 3181 CG1 VAL B 173 47.756 26.713 38.367 1.00 6.81 C +ATOM 3182 CG2 VAL B 173 49.482 27.817 39.788 1.00 6.52 C +ATOM 3183 N ALA B 174 46.869 30.270 40.720 1.00 6.67 N +ATOM 3184 CA ALA B 174 46.794 31.308 41.746 1.00 6.71 C +ATOM 3185 C ALA B 174 48.109 31.606 42.456 1.00 6.82 C +ATOM 3186 O ALA B 174 48.501 32.765 42.577 1.00 7.04 O +ATOM 3187 CB ALA B 174 45.721 30.944 42.766 1.00 7.00 C +ATOM 3188 N VAL B 175 48.781 30.562 42.927 1.00 6.52 N +ATOM 3189 CA VAL B 175 50.047 30.714 43.630 1.00 6.44 C +ATOM 3190 C VAL B 175 51.169 30.041 42.858 1.00 6.26 C +ATOM 3191 O VAL B 175 51.042 28.896 42.420 1.00 5.89 O +ATOM 3192 CB VAL B 175 49.972 30.106 45.048 1.00 6.75 C +ATOM 3193 CG1 VAL B 175 51.331 30.192 45.730 1.00 7.12 C +ATOM 3194 CG2 VAL B 175 48.916 30.844 45.864 1.00 6.87 C +ATOM 3195 N ASN B 176 52.267 30.762 42.687 1.00 6.27 N +ATOM 3196 CA ASN B 176 53.408 30.228 41.971 1.00 6.23 C +ATOM 3197 C ASN B 176 54.631 30.207 42.882 1.00 6.37 C +ATOM 3198 O ASN B 176 54.536 29.748 44.014 1.00 6.47 O +ATOM 3199 CB ASN B 176 53.624 31.040 40.692 1.00 6.44 C +ATOM 3200 CG ASN B 176 52.455 30.897 39.725 1.00 6.65 C +ATOM 3201 OD1 ASN B 176 52.312 29.877 39.051 1.00 6.37 O +ATOM 3202 ND2 ASN B 176 51.592 31.905 39.686 1.00 7.30 N +ATOM 3203 N ALA B 177 55.774 30.700 42.427 1.00 6.40 N +ATOM 3204 CA ALA B 177 56.961 30.653 43.272 1.00 6.64 C +ATOM 3205 C ALA B 177 56.837 31.441 44.570 1.00 6.68 C +ATOM 3206 O ALA B 177 56.232 32.510 44.603 1.00 6.85 O +ATOM 3207 CB ALA B 177 58.173 31.144 42.496 1.00 6.66 C +ATOM 3208 N THR B 178 57.396 30.884 45.641 1.00 6.93 N +ATOM 3209 CA THR B 178 57.439 31.543 46.943 1.00 7.22 C +ATOM 3210 C THR B 178 58.744 31.082 47.569 1.00 7.30 C +ATOM 3211 O THR B 178 59.247 30.004 47.243 1.00 6.97 O +ATOM 3212 CB THR B 178 56.278 31.137 47.892 1.00 7.48 C +ATOM 3213 OG1 THR B 178 56.434 29.772 48.298 1.00 7.82 O +ATOM 3214 CG2 THR B 178 54.931 31.322 47.211 1.00 7.77 C +ATOM 3215 N PRO B 179 59.331 31.903 48.449 1.00 7.45 N +ATOM 3216 CA PRO B 179 60.589 31.505 49.087 1.00 7.91 C +ATOM 3217 C PRO B 179 60.428 30.178 49.829 1.00 8.07 C +ATOM 3218 O PRO B 179 61.332 29.344 49.841 1.00 8.19 O +ATOM 3219 CB PRO B 179 60.872 32.672 50.030 1.00 7.73 C +ATOM 3220 CG PRO B 179 60.322 33.847 49.264 1.00 8.03 C +ATOM 3221 CD PRO B 179 58.995 33.304 48.764 1.00 7.83 C +ATOM 3222 N GLU B 180 59.263 29.987 50.435 1.00 8.52 N +ATOM 3223 CA GLU B 180 58.971 28.769 51.180 1.00 9.27 C +ATOM 3224 C GLU B 180 59.003 27.531 50.281 1.00 8.91 C +ATOM 3225 O GLU B 180 59.628 26.524 50.617 1.00 8.58 O +ATOM 3226 CB GLU B 180 57.600 28.893 51.844 1.00 10.46 C +ATOM 3227 CG GLU B 180 57.206 27.722 52.716 1.00 12.66 C +ATOM 3228 CD GLU B 180 55.763 27.816 53.169 1.00 13.76 C +ATOM 3229 OE1 GLU B 180 54.860 27.651 52.319 1.00 14.97 O +ATOM 3230 OE2 GLU B 180 55.527 28.069 54.369 1.00 15.24 O +ATOM 3231 N SER B 181 58.328 27.605 49.139 1.00 8.55 N +ATOM 3232 CA SER B 181 58.296 26.480 48.210 1.00 8.45 C +ATOM 3233 C SER B 181 59.668 26.214 47.609 1.00 8.02 C +ATOM 3234 O SER B 181 60.043 25.064 47.379 1.00 7.93 O +ATOM 3235 CB SER B 181 57.289 26.741 47.088 1.00 8.68 C +ATOM 3236 OG SER B 181 55.964 26.648 47.570 1.00 10.32 O +ATOM 3237 N ALA B 182 60.420 27.280 47.358 1.00 7.82 N +ATOM 3238 CA ALA B 182 61.753 27.143 46.788 1.00 7.72 C +ATOM 3239 C ALA B 182 62.683 26.437 47.769 1.00 7.79 C +ATOM 3240 O ALA B 182 63.479 25.589 47.374 1.00 7.69 O +ATOM 3241 CB ALA B 182 62.310 28.508 46.428 1.00 7.57 C +ATOM 3242 N ARG B 183 62.583 26.785 49.048 1.00 7.86 N +ATOM 3243 CA ARG B 183 63.432 26.152 50.047 1.00 8.19 C +ATOM 3244 C ARG B 183 63.119 24.663 50.150 1.00 7.98 C +ATOM 3245 O ARG B 183 64.028 23.843 50.223 1.00 8.06 O +ATOM 3246 CB ARG B 183 63.256 26.831 51.410 1.00 8.59 C +ATOM 3247 CG ARG B 183 64.153 26.262 52.507 1.00 9.61 C +ATOM 3248 CD ARG B 183 64.055 27.079 53.791 1.00 10.51 C +ATOM 3249 NE ARG B 183 64.765 28.356 53.704 1.00 11.77 N +ATOM 3250 CZ ARG B 183 66.081 28.498 53.847 1.00 11.99 C +ATOM 3251 NH1 ARG B 183 66.845 27.441 54.090 1.00 12.60 N +ATOM 3252 NH2 ARG B 183 66.636 29.700 53.752 1.00 12.58 N +ATOM 3253 N ILE B 184 61.835 24.313 50.141 1.00 7.67 N +ATOM 3254 CA ILE B 184 61.436 22.909 50.227 1.00 7.43 C +ATOM 3255 C ILE B 184 62.020 22.091 49.073 1.00 7.37 C +ATOM 3256 O ILE B 184 62.608 21.033 49.287 1.00 7.28 O +ATOM 3257 CB ILE B 184 59.888 22.760 50.219 1.00 7.44 C +ATOM 3258 CG1 ILE B 184 59.300 23.384 51.488 1.00 7.67 C +ATOM 3259 CG2 ILE B 184 59.498 21.285 50.110 1.00 7.68 C +ATOM 3260 CD1 ILE B 184 57.788 23.505 51.474 1.00 8.06 C +ATOM 3261 N MET B 185 61.865 22.588 47.849 1.00 7.22 N +ATOM 3262 CA MET B 185 62.373 21.885 46.680 1.00 7.19 C +ATOM 3263 C MET B 185 63.891 21.766 46.694 1.00 7.49 C +ATOM 3264 O MET B 185 64.434 20.711 46.362 1.00 7.27 O +ATOM 3265 CB MET B 185 61.892 22.580 45.402 1.00 7.05 C +ATOM 3266 CG MET B 185 60.388 22.421 45.180 1.00 6.19 C +ATOM 3267 SD MET B 185 59.759 23.238 43.698 1.00 6.10 S +ATOM 3268 CE MET B 185 60.430 22.174 42.414 1.00 6.44 C +ATOM 3269 N MET B 186 64.580 22.835 47.080 1.00 7.85 N +ATOM 3270 CA MET B 186 66.033 22.789 47.135 1.00 8.36 C +ATOM 3271 C MET B 186 66.488 21.856 48.256 1.00 8.39 C +ATOM 3272 O MET B 186 67.546 21.236 48.156 1.00 8.37 O +ATOM 3273 CB MET B 186 66.617 24.192 47.322 1.00 8.72 C +ATOM 3274 CG MET B 186 66.393 25.102 46.119 1.00 9.71 C +ATOM 3275 SD MET B 186 67.471 26.554 46.080 1.00 10.38 S +ATOM 3276 CE MET B 186 68.817 25.939 45.134 1.00 11.08 C +ATOM 3277 N GLU B 187 65.685 21.746 49.313 1.00 8.61 N +ATOM 3278 CA GLU B 187 66.021 20.849 50.417 1.00 9.01 C +ATOM 3279 C GLU B 187 65.954 19.409 49.915 1.00 8.81 C +ATOM 3280 O GLU B 187 66.701 18.553 50.378 1.00 8.77 O +ATOM 3281 CB GLU B 187 65.056 21.042 51.595 1.00 9.79 C +ATOM 3282 CG GLU B 187 65.281 22.335 52.369 1.00 11.41 C +ATOM 3283 CD GLU B 187 64.255 22.559 53.468 1.00 12.25 C +ATOM 3284 OE1 GLU B 187 63.050 22.353 53.213 1.00 13.53 O +ATOM 3285 OE2 GLU B 187 64.648 22.959 54.584 1.00 13.21 O +ATOM 3286 N VAL B 188 65.059 19.137 48.967 1.00 8.49 N +ATOM 3287 CA VAL B 188 64.949 17.787 48.421 1.00 8.39 C +ATOM 3288 C VAL B 188 66.207 17.464 47.615 1.00 8.44 C +ATOM 3289 O VAL B 188 66.767 16.375 47.738 1.00 8.40 O +ATOM 3290 CB VAL B 188 63.702 17.635 47.520 1.00 8.17 C +ATOM 3291 CG1 VAL B 188 63.707 16.267 46.849 1.00 8.26 C +ATOM 3292 CG2 VAL B 188 62.436 17.795 48.357 1.00 8.43 C +ATOM 3293 N ILE B 189 66.649 18.413 46.793 1.00 8.46 N +ATOM 3294 CA ILE B 189 67.856 18.232 45.991 1.00 8.81 C +ATOM 3295 C ILE B 189 69.014 17.931 46.942 1.00 9.25 C +ATOM 3296 O ILE B 189 69.831 17.042 46.690 1.00 9.24 O +ATOM 3297 CB ILE B 189 68.172 19.508 45.169 1.00 8.69 C +ATOM 3298 CG1 ILE B 189 67.079 19.729 44.119 1.00 8.72 C +ATOM 3299 CG2 ILE B 189 69.532 19.381 44.502 1.00 8.86 C +ATOM 3300 CD1 ILE B 189 67.243 21.000 43.310 1.00 8.81 C +ATOM 3301 N ARG B 190 69.068 18.672 48.046 1.00 9.71 N +ATOM 3302 CA ARG B 190 70.112 18.478 49.044 1.00 10.56 C +ATOM 3303 C ARG B 190 70.002 17.117 49.721 1.00 10.54 C +ATOM 3304 O ARG B 190 70.979 16.370 49.785 1.00 10.71 O +ATOM 3305 CB ARG B 190 70.042 19.572 50.112 1.00 11.17 C +ATOM 3306 CG ARG B 190 70.934 19.302 51.325 1.00 12.61 C +ATOM 3307 CD ARG B 190 70.790 20.386 52.380 1.00 13.87 C +ATOM 3308 NE ARG B 190 69.448 20.449 52.947 1.00 15.08 N +ATOM 3309 CZ ARG B 190 68.935 19.541 53.768 1.00 15.36 C +ATOM 3310 NH1 ARG B 190 69.656 18.486 54.124 1.00 16.33 N +ATOM 3311 NH2 ARG B 190 67.705 19.694 54.244 1.00 15.58 N +ATOM 3312 N ASP B 191 68.814 16.799 50.227 1.00 10.67 N +ATOM 3313 CA ASP B 191 68.599 15.534 50.925 1.00 10.85 C +ATOM 3314 C ASP B 191 68.861 14.310 50.061 1.00 10.87 C +ATOM 3315 O ASP B 191 69.246 13.258 50.574 1.00 11.02 O +ATOM 3316 CB ASP B 191 67.176 15.460 51.490 1.00 11.26 C +ATOM 3317 CG ASP B 191 66.905 16.531 52.533 1.00 11.43 C +ATOM 3318 OD1 ASP B 191 67.878 17.050 53.114 1.00 11.91 O +ATOM 3319 OD2 ASP B 191 65.722 16.844 52.783 1.00 12.17 O +ATOM 3320 N MET B 192 68.654 14.443 48.755 1.00 10.72 N +ATOM 3321 CA MET B 192 68.875 13.332 47.836 1.00 10.60 C +ATOM 3322 C MET B 192 70.307 13.307 47.312 1.00 10.61 C +ATOM 3323 O MET B 192 70.717 12.352 46.647 1.00 10.63 O +ATOM 3324 CB MET B 192 67.884 13.404 46.667 1.00 10.52 C +ATOM 3325 CG MET B 192 66.441 13.126 47.074 1.00 10.25 C +ATOM 3326 SD MET B 192 65.256 13.131 45.700 1.00 10.42 S +ATOM 3327 CE MET B 192 65.577 11.523 44.968 1.00 10.13 C +ATOM 3328 N GLY B 193 71.061 14.359 47.620 1.00 10.50 N +ATOM 3329 CA GLY B 193 72.446 14.449 47.189 1.00 10.69 C +ATOM 3330 C GLY B 193 72.619 14.519 45.685 1.00 10.70 C +ATOM 3331 O GLY B 193 73.592 13.995 45.142 1.00 10.92 O +ATOM 3332 N VAL B 194 71.686 15.182 45.009 1.00 10.69 N +ATOM 3333 CA VAL B 194 71.736 15.297 43.555 1.00 10.71 C +ATOM 3334 C VAL B 194 71.979 16.725 43.063 1.00 10.88 C +ATOM 3335 O VAL B 194 71.654 17.052 41.921 1.00 10.69 O +ATOM 3336 CB VAL B 194 70.421 14.775 42.922 1.00 10.64 C +ATOM 3337 CG1 VAL B 194 70.217 13.308 43.281 1.00 10.71 C +ATOM 3338 CG2 VAL B 194 69.239 15.608 43.406 1.00 10.52 C +ATOM 3339 N GLU B 195 72.561 17.568 43.911 1.00 11.20 N +ATOM 3340 CA GLU B 195 72.810 18.956 43.530 1.00 11.72 C +ATOM 3341 C GLU B 195 73.721 19.113 42.312 1.00 11.58 C +ATOM 3342 O GLU B 195 73.665 20.127 41.619 1.00 11.51 O +ATOM 3343 CB GLU B 195 73.396 19.748 44.707 1.00 12.56 C +ATOM 3344 CG GLU B 195 74.804 19.339 45.106 1.00 14.04 C +ATOM 3345 CD GLU B 195 74.832 18.341 46.247 1.00 14.74 C +ATOM 3346 OE1 GLU B 195 73.966 17.443 46.289 1.00 15.45 O +ATOM 3347 OE2 GLU B 195 75.736 18.449 47.104 1.00 16.07 O +ATOM 3348 N LYS B 196 74.561 18.122 42.046 1.00 11.49 N +ATOM 3349 CA LYS B 196 75.457 18.213 40.898 1.00 11.52 C +ATOM 3350 C LYS B 196 74.745 17.960 39.575 1.00 10.99 C +ATOM 3351 O LYS B 196 75.172 18.453 38.531 1.00 11.20 O +ATOM 3352 CB LYS B 196 76.617 17.223 41.050 1.00 12.37 C +ATOM 3353 CG LYS B 196 77.605 17.598 42.144 1.00 13.57 C +ATOM 3354 CD LYS B 196 78.723 16.573 42.273 1.00 14.60 C +ATOM 3355 CE LYS B 196 78.212 15.262 42.851 1.00 15.27 C +ATOM 3356 NZ LYS B 196 77.673 15.440 44.230 1.00 16.07 N +ATOM 3357 N THR B 197 73.646 17.213 39.621 1.00 10.29 N +ATOM 3358 CA THR B 197 72.906 16.872 38.410 1.00 9.72 C +ATOM 3359 C THR B 197 71.508 17.475 38.272 1.00 9.12 C +ATOM 3360 O THR B 197 70.885 17.351 37.217 1.00 9.13 O +ATOM 3361 CB THR B 197 72.789 15.335 38.274 1.00 9.81 C +ATOM 3362 OG1 THR B 197 72.228 14.784 39.474 1.00 10.05 O +ATOM 3363 CG2 THR B 197 74.163 14.719 38.035 1.00 10.20 C +ATOM 3364 N VAL B 198 71.014 18.130 39.317 1.00 8.39 N +ATOM 3365 CA VAL B 198 69.680 18.719 39.267 1.00 7.90 C +ATOM 3366 C VAL B 198 69.680 20.194 39.647 1.00 7.51 C +ATOM 3367 O VAL B 198 70.154 20.578 40.719 1.00 7.73 O +ATOM 3368 CB VAL B 198 68.704 17.962 40.199 1.00 7.95 C +ATOM 3369 CG1 VAL B 198 67.299 18.547 40.077 1.00 7.97 C +ATOM 3370 CG2 VAL B 198 68.699 16.485 39.846 1.00 8.29 C +ATOM 3371 N GLY B 199 69.148 21.016 38.750 1.00 7.00 N +ATOM 3372 CA GLY B 199 69.074 22.443 38.993 1.00 6.69 C +ATOM 3373 C GLY B 199 67.712 22.841 39.526 1.00 6.33 C +ATOM 3374 O GLY B 199 66.786 22.029 39.578 1.00 6.39 O +ATOM 3375 N PHE B 200 67.590 24.098 39.930 1.00 6.11 N +ATOM 3376 CA PHE B 200 66.332 24.604 40.460 1.00 5.68 C +ATOM 3377 C PHE B 200 65.887 25.849 39.707 1.00 5.56 C +ATOM 3378 O PHE B 200 66.707 26.693 39.350 1.00 5.38 O +ATOM 3379 CB PHE B 200 66.469 24.933 41.948 1.00 5.79 C +ATOM 3380 CG PHE B 200 65.236 25.556 42.538 1.00 5.51 C +ATOM 3381 CD1 PHE B 200 64.049 24.833 42.618 1.00 5.62 C +ATOM 3382 CD2 PHE B 200 65.238 26.885 42.947 1.00 5.64 C +ATOM 3383 CE1 PHE B 200 62.882 25.425 43.087 1.00 5.58 C +ATOM 3384 CE2 PHE B 200 64.075 27.489 43.419 1.00 5.41 C +ATOM 3385 CZ PHE B 200 62.894 26.758 43.487 1.00 5.76 C +ATOM 3386 N LYS B 201 64.584 25.963 39.468 1.00 5.46 N +ATOM 3387 CA LYS B 201 64.046 27.112 38.757 1.00 5.51 C +ATOM 3388 C LYS B 201 62.755 27.661 39.354 1.00 5.51 C +ATOM 3389 O LYS B 201 61.682 27.065 39.211 1.00 5.45 O +ATOM 3390 CB LYS B 201 63.806 26.764 37.279 1.00 5.47 C +ATOM 3391 CG LYS B 201 63.157 27.889 36.464 1.00 5.41 C +ATOM 3392 CD LYS B 201 63.030 27.518 34.983 1.00 5.53 C +ATOM 3393 CE LYS B 201 62.233 28.574 34.217 1.00 5.89 C +ATOM 3394 NZ LYS B 201 62.066 28.237 32.767 1.00 6.27 N +ATOM 3395 N PRO B 202 62.847 28.779 40.088 1.00 5.69 N +ATOM 3396 CA PRO B 202 61.623 29.344 40.654 1.00 5.93 C +ATOM 3397 C PRO B 202 60.961 30.052 39.474 1.00 6.29 C +ATOM 3398 O PRO B 202 61.644 30.704 38.683 1.00 6.35 O +ATOM 3399 CB PRO B 202 62.146 30.313 41.711 1.00 5.82 C +ATOM 3400 CG PRO B 202 63.448 30.766 41.139 1.00 6.00 C +ATOM 3401 CD PRO B 202 64.039 29.486 40.592 1.00 5.78 C +ATOM 3402 N ALA B 203 59.647 29.913 39.334 1.00 6.63 N +ATOM 3403 CA ALA B 203 58.956 30.539 38.216 1.00 7.27 C +ATOM 3404 C ALA B 203 57.579 31.066 38.592 1.00 7.90 C +ATOM 3405 O ALA B 203 56.892 30.496 39.440 1.00 7.64 O +ATOM 3406 CB ALA B 203 58.838 29.542 37.064 1.00 7.22 C +ATOM 3407 N GLY B 204 57.185 32.160 37.945 1.00 8.93 N +ATOM 3408 CA GLY B 204 55.891 32.765 38.198 1.00 9.99 C +ATOM 3409 C GLY B 204 55.871 33.684 39.403 1.00 10.67 C +ATOM 3410 O GLY B 204 56.226 33.276 40.507 1.00 10.99 O +ATOM 3411 N GLY B 205 55.470 34.933 39.189 1.00 11.23 N +ATOM 3412 CA GLY B 205 55.389 35.884 40.283 1.00 11.86 C +ATOM 3413 C GLY B 205 56.686 36.529 40.741 1.00 12.18 C +ATOM 3414 O GLY B 205 56.657 37.426 41.587 1.00 12.60 O +ATOM 3415 N VAL B 206 57.822 36.081 40.210 1.00 12.34 N +ATOM 3416 CA VAL B 206 59.111 36.658 40.591 1.00 12.40 C +ATOM 3417 C VAL B 206 59.259 37.926 39.764 1.00 12.57 C +ATOM 3418 O VAL B 206 59.617 37.865 38.591 1.00 12.46 O +ATOM 3419 CB VAL B 206 60.273 35.696 40.268 1.00 12.28 C +ATOM 3420 CG1 VAL B 206 61.565 36.226 40.865 1.00 12.39 C +ATOM 3421 CG2 VAL B 206 59.963 34.304 40.813 1.00 12.44 C +ATOM 3422 N ARG B 207 58.995 39.077 40.375 1.00 12.92 N +ATOM 3423 CA ARG B 207 59.044 40.328 39.631 1.00 13.31 C +ATOM 3424 C ARG B 207 60.051 41.392 40.051 1.00 12.98 C +ATOM 3425 O ARG B 207 60.367 42.275 39.256 1.00 12.99 O +ATOM 3426 CB ARG B 207 57.643 40.947 39.612 1.00 14.47 C +ATOM 3427 CG ARG B 207 56.555 39.963 39.204 1.00 15.75 C +ATOM 3428 CD ARG B 207 55.175 40.605 39.199 1.00 17.06 C +ATOM 3429 NE ARG B 207 54.111 39.610 39.067 1.00 18.25 N +ATOM 3430 CZ ARG B 207 53.966 38.793 38.027 1.00 18.59 C +ATOM 3431 NH1 ARG B 207 54.816 38.844 37.011 1.00 19.25 N +ATOM 3432 NH2 ARG B 207 52.970 37.917 38.006 1.00 19.15 N +ATOM 3433 N THR B 208 60.559 41.323 41.277 1.00 12.68 N +ATOM 3434 CA THR B 208 61.502 42.341 41.736 1.00 12.44 C +ATOM 3435 C THR B 208 62.912 41.842 42.013 1.00 12.14 C +ATOM 3436 O THR B 208 63.128 40.663 42.298 1.00 11.86 O +ATOM 3437 CB THR B 208 61.006 43.025 43.019 1.00 12.59 C +ATOM 3438 OG1 THR B 208 61.142 42.124 44.122 1.00 12.91 O +ATOM 3439 CG2 THR B 208 59.546 43.421 42.880 1.00 12.72 C +ATOM 3440 N ALA B 209 63.870 42.761 41.937 1.00 11.96 N +ATOM 3441 CA ALA B 209 65.267 42.436 42.194 1.00 11.92 C +ATOM 3442 C ALA B 209 65.392 41.918 43.623 1.00 11.92 C +ATOM 3443 O ALA B 209 66.214 41.044 43.909 1.00 11.55 O +ATOM 3444 CB ALA B 209 66.137 43.676 42.004 1.00 11.95 C +ATOM 3445 N GLU B 210 64.572 42.467 44.515 1.00 12.20 N +ATOM 3446 CA GLU B 210 64.575 42.058 45.914 1.00 12.54 C +ATOM 3447 C GLU B 210 64.159 40.593 46.036 1.00 12.43 C +ATOM 3448 O GLU B 210 64.710 39.855 46.849 1.00 12.36 O +ATOM 3449 CB GLU B 210 63.619 42.930 46.738 1.00 13.17 C +ATOM 3450 CG GLU B 210 64.098 44.353 47.024 1.00 14.00 C +ATOM 3451 CD GLU B 210 64.117 45.245 45.795 1.00 14.40 C +ATOM 3452 OE1 GLU B 210 63.351 44.982 44.843 1.00 14.59 O +ATOM 3453 OE2 GLU B 210 64.888 46.230 45.793 1.00 14.95 O +ATOM 3454 N ASP B 211 63.183 40.178 45.229 1.00 12.38 N +ATOM 3455 CA ASP B 211 62.721 38.791 45.255 1.00 12.41 C +ATOM 3456 C ASP B 211 63.842 37.876 44.782 1.00 11.75 C +ATOM 3457 O ASP B 211 64.148 36.871 45.414 1.00 11.28 O +ATOM 3458 CB ASP B 211 61.519 38.574 44.325 1.00 13.67 C +ATOM 3459 CG ASP B 211 60.298 39.378 44.727 1.00 14.72 C +ATOM 3460 OD1 ASP B 211 60.023 39.498 45.940 1.00 15.73 O +ATOM 3461 OD2 ASP B 211 59.596 39.870 43.813 1.00 15.79 O +ATOM 3462 N ALA B 212 64.441 38.228 43.649 1.00 11.00 N +ATOM 3463 CA ALA B 212 65.518 37.431 43.079 1.00 10.72 C +ATOM 3464 C ALA B 212 66.652 37.224 44.075 1.00 10.59 C +ATOM 3465 O ALA B 212 67.211 36.134 44.173 1.00 10.58 O +ATOM 3466 CB ALA B 212 66.043 38.096 41.815 1.00 10.50 C +ATOM 3467 N GLN B 213 66.992 38.273 44.815 1.00 10.49 N +ATOM 3468 CA GLN B 213 68.063 38.181 45.793 1.00 10.41 C +ATOM 3469 C GLN B 213 67.747 37.126 46.851 1.00 10.11 C +ATOM 3470 O GLN B 213 68.622 36.361 47.255 1.00 10.05 O +ATOM 3471 CB GLN B 213 68.284 39.543 46.450 1.00 10.89 C +ATOM 3472 CG GLN B 213 69.355 39.545 47.520 1.00 11.83 C +ATOM 3473 CD GLN B 213 69.625 40.931 48.056 1.00 12.70 C +ATOM 3474 OE1 GLN B 213 68.707 41.639 48.468 1.00 13.23 O +ATOM 3475 NE2 GLN B 213 70.890 41.328 48.054 1.00 13.05 N +ATOM 3476 N LYS B 214 66.492 37.084 47.290 1.00 9.82 N +ATOM 3477 CA LYS B 214 66.067 36.116 48.295 1.00 9.88 C +ATOM 3478 C LYS B 214 66.178 34.682 47.791 1.00 9.31 C +ATOM 3479 O LYS B 214 66.590 33.788 48.531 1.00 9.34 O +ATOM 3480 CB LYS B 214 64.624 36.395 48.723 1.00 10.56 C +ATOM 3481 CG LYS B 214 64.437 37.729 49.426 1.00 11.91 C +ATOM 3482 CD LYS B 214 62.992 37.940 49.836 1.00 13.07 C +ATOM 3483 CE LYS B 214 62.806 39.309 50.463 1.00 13.87 C +ATOM 3484 NZ LYS B 214 63.745 39.517 51.597 1.00 14.92 N +ATOM 3485 N TYR B 215 65.807 34.455 46.534 1.00 8.83 N +ATOM 3486 CA TYR B 215 65.881 33.114 45.969 1.00 8.52 C +ATOM 3487 C TYR B 215 67.324 32.631 45.836 1.00 8.45 C +ATOM 3488 O TYR B 215 67.628 31.467 46.104 1.00 8.30 O +ATOM 3489 CB TYR B 215 65.166 33.079 44.614 1.00 8.17 C +ATOM 3490 CG TYR B 215 63.657 33.095 44.738 1.00 7.97 C +ATOM 3491 CD1 TYR B 215 62.972 32.014 45.293 1.00 7.79 C +ATOM 3492 CD2 TYR B 215 62.915 34.202 44.328 1.00 7.96 C +ATOM 3493 CE1 TYR B 215 61.587 32.035 45.441 1.00 8.15 C +ATOM 3494 CE2 TYR B 215 61.528 34.236 44.472 1.00 8.03 C +ATOM 3495 CZ TYR B 215 60.871 33.151 45.030 1.00 7.94 C +ATOM 3496 OH TYR B 215 59.501 33.188 45.183 1.00 8.51 O +ATOM 3497 N LEU B 216 68.221 33.523 45.432 1.00 8.49 N +ATOM 3498 CA LEU B 216 69.623 33.151 45.295 1.00 8.69 C +ATOM 3499 C LEU B 216 70.272 32.946 46.663 1.00 8.69 C +ATOM 3500 O LEU B 216 71.192 32.140 46.803 1.00 8.83 O +ATOM 3501 CB LEU B 216 70.380 34.219 44.502 1.00 8.86 C +ATOM 3502 CG LEU B 216 70.146 34.199 42.989 1.00 8.81 C +ATOM 3503 CD1 LEU B 216 70.781 35.419 42.350 1.00 9.32 C +ATOM 3504 CD2 LEU B 216 70.719 32.917 42.398 1.00 8.99 C +ATOM 3505 N ALA B 217 69.785 33.670 47.668 1.00 8.74 N +ATOM 3506 CA ALA B 217 70.317 33.549 49.022 1.00 8.71 C +ATOM 3507 C ALA B 217 70.080 32.131 49.535 1.00 8.79 C +ATOM 3508 O ALA B 217 70.922 31.561 50.224 1.00 8.77 O +ATOM 3509 CB ALA B 217 69.650 34.563 49.944 1.00 8.84 C +ATOM 3510 N ILE B 218 68.926 31.564 49.202 1.00 8.79 N +ATOM 3511 CA ILE B 218 68.609 30.205 49.623 1.00 9.07 C +ATOM 3512 C ILE B 218 69.578 29.232 48.952 1.00 9.34 C +ATOM 3513 O ILE B 218 70.093 28.317 49.595 1.00 9.35 O +ATOM 3514 CB ILE B 218 67.154 29.829 49.253 1.00 9.05 C +ATOM 3515 CG1 ILE B 218 66.177 30.751 49.989 1.00 9.14 C +ATOM 3516 CG2 ILE B 218 66.880 28.377 49.622 1.00 8.92 C +ATOM 3517 CD1 ILE B 218 64.730 30.598 49.554 1.00 9.63 C +ATOM 3518 N ALA B 219 69.829 29.436 47.661 1.00 9.60 N +ATOM 3519 CA ALA B 219 70.750 28.574 46.926 1.00 9.73 C +ATOM 3520 C ALA B 219 72.155 28.651 47.523 1.00 10.11 C +ATOM 3521 O ALA B 219 72.794 27.624 47.754 1.00 10.01 O +ATOM 3522 CB ALA B 219 70.784 28.968 45.450 1.00 9.77 C +ATOM 3523 N ASP B 220 72.634 29.868 47.772 1.00 10.45 N +ATOM 3524 CA ASP B 220 73.965 30.054 48.345 1.00 10.94 C +ATOM 3525 C ASP B 220 74.071 29.397 49.718 1.00 11.26 C +ATOM 3526 O ASP B 220 75.086 28.785 50.045 1.00 11.32 O +ATOM 3527 CB ASP B 220 74.299 31.546 48.473 1.00 11.09 C +ATOM 3528 CG ASP B 220 74.461 32.231 47.128 1.00 11.47 C +ATOM 3529 OD1 ASP B 220 74.565 31.528 46.100 1.00 11.62 O +ATOM 3530 OD2 ASP B 220 74.496 33.481 47.102 1.00 11.72 O +ATOM 3531 N GLU B 221 73.017 29.523 50.515 1.00 11.56 N +ATOM 3532 CA GLU B 221 72.992 28.951 51.858 1.00 12.13 C +ATOM 3533 C GLU B 221 73.118 27.433 51.846 1.00 12.15 C +ATOM 3534 O GLU B 221 73.906 26.856 52.599 1.00 12.21 O +ATOM 3535 CB GLU B 221 71.691 29.336 52.564 1.00 12.72 C +ATOM 3536 CG GLU B 221 71.567 28.799 53.982 1.00 14.05 C +ATOM 3537 CD GLU B 221 70.142 28.844 54.501 1.00 14.70 C +ATOM 3538 OE1 GLU B 221 69.495 29.905 54.387 1.00 15.70 O +ATOM 3539 OE2 GLU B 221 69.666 27.816 55.031 1.00 15.45 O +ATOM 3540 N LEU B 222 72.339 26.789 50.984 1.00 12.06 N +ATOM 3541 CA LEU B 222 72.337 25.337 50.896 1.00 12.16 C +ATOM 3542 C LEU B 222 73.485 24.690 50.135 1.00 12.12 C +ATOM 3543 O LEU B 222 73.966 23.630 50.534 1.00 12.21 O +ATOM 3544 CB LEU B 222 71.019 24.849 50.283 1.00 12.39 C +ATOM 3545 CG LEU B 222 69.783 24.709 51.173 1.00 12.68 C +ATOM 3546 CD1 LEU B 222 69.401 26.051 51.766 1.00 13.07 C +ATOM 3547 CD2 LEU B 222 68.637 24.147 50.349 1.00 12.87 C +ATOM 3548 N PHE B 223 73.938 25.317 49.053 1.00 12.00 N +ATOM 3549 CA PHE B 223 74.985 24.707 48.238 1.00 12.00 C +ATOM 3550 C PHE B 223 76.285 25.481 48.045 1.00 12.12 C +ATOM 3551 O PHE B 223 77.169 25.027 47.318 1.00 12.38 O +ATOM 3552 CB PHE B 223 74.402 24.376 46.863 1.00 11.97 C +ATOM 3553 CG PHE B 223 73.151 23.546 46.921 1.00 11.90 C +ATOM 3554 CD1 PHE B 223 73.185 22.249 47.417 1.00 11.96 C +ATOM 3555 CD2 PHE B 223 71.936 24.067 46.488 1.00 11.91 C +ATOM 3556 CE1 PHE B 223 72.027 21.479 47.481 1.00 12.11 C +ATOM 3557 CE2 PHE B 223 70.771 23.303 46.551 1.00 12.01 C +ATOM 3558 CZ PHE B 223 70.819 22.008 47.048 1.00 11.95 C +ATOM 3559 N GLY B 224 76.414 26.633 48.690 1.00 12.36 N +ATOM 3560 CA GLY B 224 77.619 27.425 48.520 1.00 12.56 C +ATOM 3561 C GLY B 224 77.384 28.453 47.429 1.00 12.85 C +ATOM 3562 O GLY B 224 76.579 28.225 46.528 1.00 12.82 O +ATOM 3563 N ALA B 225 78.097 29.572 47.497 1.00 13.11 N +ATOM 3564 CA ALA B 225 77.939 30.658 46.534 1.00 13.44 C +ATOM 3565 C ALA B 225 78.286 30.368 45.073 1.00 13.59 C +ATOM 3566 O ALA B 225 77.899 31.136 44.193 1.00 13.85 O +ATOM 3567 CB ALA B 225 78.723 31.873 47.012 1.00 13.77 C +ATOM 3568 N ASP B 226 79.002 29.281 44.801 1.00 13.59 N +ATOM 3569 CA ASP B 226 79.381 28.967 43.421 1.00 13.65 C +ATOM 3570 C ASP B 226 78.467 27.974 42.710 1.00 13.11 C +ATOM 3571 O ASP B 226 78.607 27.750 41.506 1.00 13.40 O +ATOM 3572 CB ASP B 226 80.815 28.426 43.371 1.00 14.70 C +ATOM 3573 CG ASP B 226 81.835 29.427 43.871 1.00 15.51 C +ATOM 3574 OD1 ASP B 226 81.851 30.568 43.361 1.00 16.46 O +ATOM 3575 OD2 ASP B 226 82.628 29.068 44.767 1.00 16.84 O +ATOM 3576 N TRP B 227 77.525 27.394 43.441 1.00 12.39 N +ATOM 3577 CA TRP B 227 76.622 26.400 42.871 1.00 11.62 C +ATOM 3578 C TRP B 227 75.645 26.899 41.804 1.00 11.33 C +ATOM 3579 O TRP B 227 75.480 26.266 40.760 1.00 11.27 O +ATOM 3580 CB TRP B 227 75.814 25.736 43.986 1.00 11.16 C +ATOM 3581 CG TRP B 227 74.942 24.619 43.504 1.00 10.84 C +ATOM 3582 CD1 TRP B 227 75.337 23.350 43.192 1.00 10.68 C +ATOM 3583 CD2 TRP B 227 73.531 24.672 43.262 1.00 10.65 C +ATOM 3584 NE1 TRP B 227 74.260 22.608 42.774 1.00 10.80 N +ATOM 3585 CE2 TRP B 227 73.138 23.394 42.806 1.00 10.52 C +ATOM 3586 CE3 TRP B 227 72.561 25.674 43.385 1.00 10.52 C +ATOM 3587 CZ2 TRP B 227 71.812 23.090 42.473 1.00 10.47 C +ATOM 3588 CZ3 TRP B 227 71.240 25.372 43.053 1.00 10.53 C +ATOM 3589 CH2 TRP B 227 70.880 24.090 42.603 1.00 10.47 C +ATOM 3590 N ALA B 228 75.006 28.033 42.066 1.00 10.93 N +ATOM 3591 CA ALA B 228 73.998 28.574 41.159 1.00 10.79 C +ATOM 3592 C ALA B 228 74.432 29.138 39.809 1.00 10.62 C +ATOM 3593 O ALA B 228 74.253 30.329 39.549 1.00 10.94 O +ATOM 3594 CB ALA B 228 73.160 29.613 41.899 1.00 10.50 C +ATOM 3595 N ASP B 229 74.990 28.285 38.953 1.00 10.55 N +ATOM 3596 CA ASP B 229 75.383 28.702 37.610 1.00 10.25 C +ATOM 3597 C ASP B 229 74.217 28.359 36.678 1.00 9.96 C +ATOM 3598 O ASP B 229 73.200 27.829 37.127 1.00 9.54 O +ATOM 3599 CB ASP B 229 76.662 27.987 37.151 1.00 10.99 C +ATOM 3600 CG ASP B 229 76.582 26.485 37.299 1.00 11.55 C +ATOM 3601 OD1 ASP B 229 75.496 25.916 37.071 1.00 12.18 O +ATOM 3602 OD2 ASP B 229 77.618 25.870 37.631 1.00 12.63 O +ATOM 3603 N ALA B 230 74.364 28.646 35.389 1.00 9.38 N +ATOM 3604 CA ALA B 230 73.297 28.394 34.417 1.00 9.03 C +ATOM 3605 C ALA B 230 72.774 26.959 34.355 1.00 8.75 C +ATOM 3606 O ALA B 230 71.599 26.736 34.063 1.00 8.59 O +ATOM 3607 CB ALA B 230 73.751 28.831 33.035 1.00 9.26 C +ATOM 3608 N ARG B 231 73.635 25.984 34.616 1.00 8.41 N +ATOM 3609 CA ARG B 231 73.208 24.589 34.576 1.00 8.28 C +ATOM 3610 C ARG B 231 72.420 24.181 35.821 1.00 8.10 C +ATOM 3611 O ARG B 231 71.699 23.185 35.808 1.00 8.22 O +ATOM 3612 CB ARG B 231 74.429 23.673 34.415 1.00 8.62 C +ATOM 3613 CG ARG B 231 74.132 22.179 34.559 1.00 8.59 C +ATOM 3614 CD ARG B 231 73.192 21.665 33.474 1.00 8.93 C +ATOM 3615 NE ARG B 231 72.874 20.248 33.648 1.00 9.28 N +ATOM 3616 CZ ARG B 231 71.973 19.769 34.503 1.00 9.23 C +ATOM 3617 NH1 ARG B 231 71.277 20.590 35.279 1.00 8.96 N +ATOM 3618 NH2 ARG B 231 71.768 18.460 34.587 1.00 9.20 N +ATOM 3619 N HIS B 232 72.531 24.965 36.888 1.00 7.80 N +ATOM 3620 CA HIS B 232 71.850 24.620 38.131 1.00 7.55 C +ATOM 3621 C HIS B 232 70.820 25.609 38.647 1.00 7.26 C +ATOM 3622 O HIS B 232 70.159 25.343 39.652 1.00 7.05 O +ATOM 3623 CB HIS B 232 72.896 24.376 39.215 1.00 8.03 C +ATOM 3624 CG HIS B 232 73.876 23.305 38.860 1.00 8.69 C +ATOM 3625 ND1 HIS B 232 73.665 21.974 39.152 1.00 9.50 N +ATOM 3626 CD2 HIS B 232 75.035 23.358 38.163 1.00 8.80 C +ATOM 3627 CE1 HIS B 232 74.652 21.256 38.649 1.00 8.84 C +ATOM 3628 NE2 HIS B 232 75.495 22.071 38.042 1.00 9.61 N +ATOM 3629 N TYR B 233 70.667 26.743 37.976 1.00 6.91 N +ATOM 3630 CA TYR B 233 69.705 27.722 38.449 1.00 6.79 C +ATOM 3631 C TYR B 233 69.203 28.623 37.334 1.00 6.46 C +ATOM 3632 O TYR B 233 69.983 29.077 36.500 1.00 6.63 O +ATOM 3633 CB TYR B 233 70.342 28.577 39.555 1.00 6.99 C +ATOM 3634 CG TYR B 233 69.337 29.179 40.507 1.00 7.20 C +ATOM 3635 CD1 TYR B 233 68.536 30.257 40.128 1.00 7.59 C +ATOM 3636 CD2 TYR B 233 69.137 28.621 41.770 1.00 7.57 C +ATOM 3637 CE1 TYR B 233 67.555 30.759 40.984 1.00 7.92 C +ATOM 3638 CE2 TYR B 233 68.164 29.113 42.629 1.00 8.06 C +ATOM 3639 CZ TYR B 233 67.374 30.177 42.229 1.00 8.25 C +ATOM 3640 OH TYR B 233 66.382 30.625 43.067 1.00 9.00 O +ATOM 3641 N ARG B 234 67.894 28.861 37.316 1.00 6.23 N +ATOM 3642 CA ARG B 234 67.272 29.748 36.334 1.00 6.12 C +ATOM 3643 C ARG B 234 66.091 30.461 36.967 1.00 6.23 C +ATOM 3644 O ARG B 234 65.456 29.942 37.882 1.00 6.33 O +ATOM 3645 CB ARG B 234 66.732 28.980 35.127 1.00 5.92 C +ATOM 3646 CG ARG B 234 67.739 28.185 34.345 1.00 5.61 C +ATOM 3647 CD ARG B 234 68.727 29.025 33.552 1.00 5.94 C +ATOM 3648 NE ARG B 234 69.606 28.092 32.860 1.00 5.67 N +ATOM 3649 CZ ARG B 234 69.272 27.422 31.761 1.00 6.01 C +ATOM 3650 NH1 ARG B 234 68.086 27.604 31.191 1.00 5.86 N +ATOM 3651 NH2 ARG B 234 70.086 26.490 31.291 1.00 6.23 N +ATOM 3652 N PHE B 235 65.803 31.656 36.471 1.00 6.47 N +ATOM 3653 CA PHE B 235 64.656 32.416 36.938 1.00 6.55 C +ATOM 3654 C PHE B 235 63.627 32.416 35.814 1.00 6.67 C +ATOM 3655 O PHE B 235 63.902 32.913 34.722 1.00 6.77 O +ATOM 3656 CB PHE B 235 65.048 33.860 37.257 1.00 6.59 C +ATOM 3657 CG PHE B 235 65.607 34.046 38.636 1.00 6.57 C +ATOM 3658 CD1 PHE B 235 64.776 33.977 39.752 1.00 6.87 C +ATOM 3659 CD2 PHE B 235 66.962 34.277 38.823 1.00 6.76 C +ATOM 3660 CE1 PHE B 235 65.291 34.138 41.038 1.00 6.97 C +ATOM 3661 CE2 PHE B 235 67.490 34.439 40.107 1.00 6.97 C +ATOM 3662 CZ PHE B 235 66.653 34.370 41.214 1.00 6.87 C +ATOM 3663 N GLY B 236 62.461 31.830 36.071 1.00 6.84 N +ATOM 3664 CA GLY B 236 61.406 31.827 35.072 1.00 7.22 C +ATOM 3665 C GLY B 236 60.664 33.125 35.312 1.00 7.50 C +ATOM 3666 O GLY B 236 59.853 33.218 36.235 1.00 7.51 O +ATOM 3667 N ALA B 237 60.942 34.135 34.495 1.00 7.70 N +ATOM 3668 CA ALA B 237 60.320 35.436 34.693 1.00 7.96 C +ATOM 3669 C ALA B 237 60.308 36.312 33.447 1.00 8.33 C +ATOM 3670 O ALA B 237 60.886 35.967 32.417 1.00 7.62 O +ATOM 3671 CB ALA B 237 61.031 36.161 35.827 1.00 8.16 C +ATOM 3672 N SER B 238 59.654 37.463 33.567 1.00 8.82 N +ATOM 3673 CA SER B 238 59.533 38.408 32.468 1.00 9.58 C +ATOM 3674 C SER B 238 59.847 39.835 32.911 1.00 9.82 C +ATOM 3675 O SER B 238 60.942 40.339 32.658 1.00 10.22 O +ATOM 3676 CB SER B 238 58.118 38.342 31.884 1.00 9.76 C +ATOM 3677 OG SER B 238 57.131 38.534 32.890 1.00 10.53 O +ATOM 3678 N SER B 239 58.893 40.477 33.581 1.00 10.30 N +ATOM 3679 CA SER B 239 59.075 41.852 34.038 1.00 10.75 C +ATOM 3680 C SER B 239 60.241 41.985 35.011 1.00 10.51 C +ATOM 3681 O SER B 239 60.717 43.090 35.269 1.00 10.74 O +ATOM 3682 CB SER B 239 57.790 42.379 34.687 1.00 11.30 C +ATOM 3683 OG SER B 239 57.482 41.673 35.871 1.00 12.93 O +ATOM 3684 N LEU B 240 60.693 40.858 35.554 1.00 10.24 N +ATOM 3685 CA LEU B 240 61.822 40.858 36.477 1.00 9.81 C +ATOM 3686 C LEU B 240 63.034 41.528 35.835 1.00 10.05 C +ATOM 3687 O LEU B 240 63.783 42.241 36.501 1.00 9.87 O +ATOM 3688 CB LEU B 240 62.194 39.423 36.870 1.00 9.33 C +ATOM 3689 CG LEU B 240 63.474 39.261 37.703 1.00 8.87 C +ATOM 3690 CD1 LEU B 240 63.323 39.953 39.057 1.00 8.88 C +ATOM 3691 CD2 LEU B 240 63.766 37.784 37.892 1.00 8.94 C +ATOM 3692 N LEU B 241 63.226 41.298 34.540 1.00 10.30 N +ATOM 3693 CA LEU B 241 64.362 41.871 33.829 1.00 10.72 C +ATOM 3694 C LEU B 241 64.433 43.387 33.985 1.00 10.95 C +ATOM 3695 O LEU B 241 65.498 43.941 34.264 1.00 10.89 O +ATOM 3696 CB LEU B 241 64.300 41.498 32.346 1.00 10.94 C +ATOM 3697 CG LEU B 241 65.464 41.995 31.486 1.00 11.25 C +ATOM 3698 CD1 LEU B 241 66.779 41.465 32.038 1.00 11.50 C +ATOM 3699 CD2 LEU B 241 65.264 41.544 30.047 1.00 11.53 C +ATOM 3700 N ALA B 242 63.298 44.058 33.814 1.00 11.10 N +ATOM 3701 CA ALA B 242 63.260 45.510 33.942 1.00 11.35 C +ATOM 3702 C ALA B 242 63.671 45.936 35.350 1.00 11.51 C +ATOM 3703 O ALA B 242 64.370 46.937 35.527 1.00 11.79 O +ATOM 3704 CB ALA B 242 61.863 46.028 33.620 1.00 11.42 C +ATOM 3705 N SER B 243 63.241 45.172 36.350 1.00 11.54 N +ATOM 3706 CA SER B 243 63.568 45.478 37.737 1.00 11.52 C +ATOM 3707 C SER B 243 65.057 45.296 38.000 1.00 11.53 C +ATOM 3708 O SER B 243 65.680 46.099 38.697 1.00 11.43 O +ATOM 3709 CB SER B 243 62.765 44.581 38.682 1.00 11.58 C +ATOM 3710 OG SER B 243 63.026 44.905 40.037 1.00 11.87 O +ATOM 3711 N LEU B 244 65.629 44.235 37.446 1.00 11.38 N +ATOM 3712 CA LEU B 244 67.048 43.971 37.623 1.00 11.54 C +ATOM 3713 C LEU B 244 67.864 45.069 36.945 1.00 11.97 C +ATOM 3714 O LEU B 244 68.811 45.600 37.529 1.00 11.71 O +ATOM 3715 CB LEU B 244 67.410 42.603 37.041 1.00 11.01 C +ATOM 3716 CG LEU B 244 66.778 41.393 37.737 1.00 10.71 C +ATOM 3717 CD1 LEU B 244 67.119 40.135 36.964 1.00 10.44 C +ATOM 3718 CD2 LEU B 244 67.277 41.292 39.174 1.00 10.52 C +ATOM 3719 N LEU B 245 67.490 45.419 35.720 1.00 12.47 N +ATOM 3720 CA LEU B 245 68.205 46.460 34.994 1.00 13.32 C +ATOM 3721 C LEU B 245 68.130 47.790 35.734 1.00 13.88 C +ATOM 3722 O LEU B 245 69.107 48.537 35.775 1.00 14.05 O +ATOM 3723 CB LEU B 245 67.642 46.604 33.579 1.00 13.30 C +ATOM 3724 CG LEU B 245 68.040 45.479 32.619 1.00 13.24 C +ATOM 3725 CD1 LEU B 245 67.260 45.601 31.322 1.00 13.33 C +ATOM 3726 CD2 LEU B 245 69.540 45.544 32.354 1.00 13.24 C +ATOM 3727 N LYS B 246 66.979 48.082 36.332 1.00 14.59 N +ATOM 3728 CA LYS B 246 66.822 49.333 37.065 1.00 15.32 C +ATOM 3729 C LYS B 246 67.758 49.373 38.267 1.00 15.64 C +ATOM 3730 O LYS B 246 68.375 50.400 38.545 1.00 15.71 O +ATOM 3731 CB LYS B 246 65.373 49.511 37.529 1.00 15.92 C +ATOM 3732 CG LYS B 246 65.118 50.836 38.240 1.00 16.62 C +ATOM 3733 CD LYS B 246 63.642 51.046 38.530 1.00 17.48 C +ATOM 3734 CE LYS B 246 63.085 49.956 39.430 1.00 18.01 C +ATOM 3735 NZ LYS B 246 61.637 50.157 39.715 1.00 18.70 N +ATOM 3736 N ALA B 247 67.866 48.252 38.975 1.00 15.93 N +ATOM 3737 CA ALA B 247 68.734 48.170 40.145 1.00 16.40 C +ATOM 3738 C ALA B 247 70.192 48.370 39.738 1.00 16.80 C +ATOM 3739 O ALA B 247 71.029 48.747 40.557 1.00 16.88 O +ATOM 3740 CB ALA B 247 68.560 46.816 40.834 1.00 16.31 C +ATOM 3741 N LEU B 248 70.483 48.121 38.464 1.00 17.28 N +ATOM 3742 CA LEU B 248 71.834 48.264 37.931 1.00 17.84 C +ATOM 3743 C LEU B 248 72.035 49.607 37.233 1.00 18.29 C +ATOM 3744 O LEU B 248 73.097 49.867 36.663 1.00 18.59 O +ATOM 3745 CB LEU B 248 72.137 47.119 36.958 1.00 17.67 C +ATOM 3746 CG LEU B 248 72.381 45.732 37.563 1.00 17.77 C +ATOM 3747 CD1 LEU B 248 71.366 45.439 38.645 1.00 17.97 C +ATOM 3748 CD2 LEU B 248 72.319 44.684 36.466 1.00 17.61 C +ATOM 3749 N GLY B 249 71.008 50.450 37.271 1.00 18.82 N +ATOM 3750 CA GLY B 249 71.101 51.762 36.656 1.00 19.46 C +ATOM 3751 C GLY B 249 70.862 51.800 35.159 1.00 19.88 C +ATOM 3752 O GLY B 249 71.446 52.628 34.456 1.00 20.09 O +ATOM 3753 N HIS B 250 70.002 50.913 34.669 1.00 20.26 N +ATOM 3754 CA HIS B 250 69.685 50.857 33.245 1.00 20.55 C +ATOM 3755 C HIS B 250 68.180 50.857 33.008 1.00 20.75 C +ATOM 3756 O HIS B 250 67.426 50.623 33.976 1.00 20.88 O +ATOM 3757 CB HIS B 250 70.293 49.601 32.620 1.00 20.69 C +ATOM 3758 CG HIS B 250 71.777 49.669 32.442 1.00 20.76 C +ATOM 3759 ND1 HIS B 250 72.373 50.396 31.433 1.00 20.92 N +ATOM 3760 CD2 HIS B 250 72.786 49.099 33.141 1.00 20.86 C +ATOM 3761 CE1 HIS B 250 73.684 50.268 31.517 1.00 20.91 C +ATOM 3762 NE2 HIS B 250 73.961 49.486 32.545 1.00 21.04 N +ATOM 3763 OXT HIS B 250 67.773 51.074 31.846 1.00 21.14 O +TER 3764 HIS B 250 +HETATM 3765 O HOH A 401 50.776 25.390 16.913 1.00 3.19 O +HETATM 3766 O HOH A 402 60.207 30.154 6.348 1.00 5.38 O +HETATM 3767 O HOH A 407 44.833 33.359 -1.695 1.00 5.95 O +HETATM 3768 O HOH A 409 43.572 25.328 15.367 1.00 6.26 O +HETATM 3769 O HOH A 410 53.645 28.023 10.661 1.00 6.73 O +HETATM 3770 O HOH A 415 49.926 34.719 3.095 1.00 6.12 O +HETATM 3771 O HOH A 419 53.837 15.912 -7.172 1.00 6.60 O +HETATM 3772 O HOH A 420 52.280 26.044 12.092 1.00 8.39 O +HETATM 3773 O HOH A 421 53.211 30.153 11.695 1.00 4.93 O +HETATM 3774 O HOH A 422 48.380 11.063 -13.427 1.00 7.84 O +HETATM 3775 O HOH A 424 65.222 38.891 -8.785 1.00 7.25 O +HETATM 3776 O HOH A 426 60.173 32.111 8.415 1.00 8.81 O +HETATM 3777 O HOH A 427 58.637 33.961 -0.018 1.00 6.47 O +HETATM 3778 O HOH A 429 43.633 10.560 1.655 1.00 11.86 O +HETATM 3779 O HOH A 430 42.351 33.330 -5.918 1.00 9.54 O +HETATM 3780 O HOH A 431 52.039 12.655 -4.940 1.00 8.10 O +HETATM 3781 O HOH A 434 41.968 10.282 13.643 1.00 8.65 O +HETATM 3782 O HOH A 435 59.428 14.622 13.134 1.00 9.56 O +HETATM 3783 O HOH A 439 41.728 23.858 5.464 1.00 8.45 O +HETATM 3784 O HOH A 440 57.599 39.723 -3.871 1.00 9.04 O +HETATM 3785 O HOH A 443 54.608 13.531 -5.749 1.00 10.46 O +HETATM 3786 O HOH A 444 35.629 14.556 -10.080 1.00 10.58 O +HETATM 3787 O HOH A 448 53.144 13.933 -9.082 1.00 13.65 O +HETATM 3788 O HOH A 449 48.493 15.696 -19.641 1.00 9.69 O +HETATM 3789 O HOH A 450 63.975 17.062 4.219 1.00 9.77 O +HETATM 3790 O HOH A 451 52.703 12.128 11.958 1.00 7.55 O +HETATM 3791 O HOH A 452 28.724 10.559 11.330 1.00 10.75 O +HETATM 3792 O HOH A 453 52.879 21.664 22.234 1.00 9.28 O +HETATM 3793 O HOH A 455 65.400 22.669 9.848 1.00 11.13 O +HETATM 3794 O HOH A 459 32.743 12.742 -1.213 1.00 10.89 O +HETATM 3795 O HOH A 461 61.192 15.112 -1.498 1.00 13.02 O +HETATM 3796 O HOH A 462 51.033 11.301 -11.744 1.00 12.25 O +HETATM 3797 O HOH A 463 41.639 9.359 16.350 1.00 9.20 O +HETATM 3798 O HOH A 466 54.050 12.627 1.281 1.00 8.99 O +HETATM 3799 O HOH A 467 66.680 29.830 10.038 1.00 12.27 O +HETATM 3800 O HOH A 472 26.500 12.588 -2.849 1.00 11.15 O +HETATM 3801 O HOH A 474 55.475 34.516 0.507 1.00 6.38 O +HETATM 3802 O HOH A 479 48.612 10.669 16.353 1.00 12.49 O +HETATM 3803 O HOH A 480 48.322 10.609 5.655 1.00 13.93 O +HETATM 3804 O HOH A 481 66.759 27.547 -2.549 1.00 13.73 O +HETATM 3805 O HOH A 482 48.973 12.708 18.127 1.00 14.28 O +HETATM 3806 O HOH A 484 26.981 21.450 -2.754 1.00 10.87 O +HETATM 3807 O HOH A 486 22.220 25.702 2.147 1.00 17.93 O +HETATM 3808 O HOH A 487 36.755 28.331 3.058 1.00 10.42 O +HETATM 3809 O HOH A 488 58.237 13.249 -4.058 1.00 12.22 O +HETATM 3810 O HOH A 489 26.342 8.998 4.106 1.00 12.67 O +HETATM 3811 O HOH A 493 46.285 11.604 21.504 1.00 11.30 O +HETATM 3812 O HOH A 494 33.675 27.981 5.141 1.00 12.92 O +HETATM 3813 O HOH A 495 36.663 10.476 7.228 1.00 16.34 O +HETATM 3814 O HOH A 497 52.801 10.633 -1.821 1.00 12.30 O +HETATM 3815 O HOH A 500 59.471 30.271 -5.017 1.00 14.10 O +HETATM 3816 O HOH A 501 47.275 26.718 22.809 1.00 17.09 O +HETATM 3817 O HOH A 502 53.589 30.219 -16.046 1.00 12.53 O +HETATM 3818 O HOH A 503 60.033 15.439 -3.948 1.00 11.03 O +HETATM 3819 O HOH A 507 49.046 29.420 15.871 1.00 12.13 O +HETATM 3820 O HOH A 509 55.721 30.393 11.556 1.00 12.87 O +HETATM 3821 O HOH A 510 36.366 9.717 -0.989 1.00 14.45 O +HETATM 3822 O HOH A 511 50.565 9.437 -2.681 1.00 14.78 O +HETATM 3823 O HOH A 512 65.021 30.925 -9.686 1.00 15.62 O +HETATM 3824 O HOH A 515 40.531 9.507 -8.069 1.00 12.66 O +HETATM 3825 O HOH A 517 58.850 30.023 13.209 1.00 13.55 O +HETATM 3826 O HOH A 520 30.835 19.395 -14.557 1.00 16.12 O +HETATM 3827 O HOH A 523 31.744 25.313 -12.101 1.00 16.07 O +HETATM 3828 O HOH A 525 44.459 38.378 -1.491 1.00 18.54 O +HETATM 3829 O HOH A 526 45.183 32.555 13.383 1.00 17.06 O +HETATM 3830 O HOH A 530 44.329 14.053 28.648 1.00 14.60 O +HETATM 3831 O HOH A 531 35.818 26.684 12.600 1.00 14.24 O +HETATM 3832 O HOH A 533 35.087 25.087 17.274 1.00 17.80 O +HETATM 3833 O HOH A 535 61.522 10.615 2.266 1.00 10.53 O +HETATM 3834 O HOH A 536 40.373 34.848 -9.576 1.00 16.35 O +HETATM 3835 O HOH A 537 36.310 33.371 -10.355 1.00 12.28 O +HETATM 3836 O HOH A 538 34.577 11.579 4.660 1.00 11.98 O +HETATM 3837 O HOH A 539 28.868 19.603 -8.558 1.00 13.62 O +HETATM 3838 O HOH A 540 46.267 30.366 17.374 1.00 15.42 O +HETATM 3839 O HOH A 542 62.779 14.640 8.605 1.00 13.37 O +HETATM 3840 O HOH A 544 64.387 34.806 -2.612 1.00 14.34 O +HETATM 3841 O HOH A 545 48.630 24.666 -17.515 1.00 17.01 O +HETATM 3842 O HOH A 546 51.273 39.559 -9.189 1.00 20.02 O +HETATM 3843 O HOH A 548 49.315 36.031 -16.455 1.00 18.20 O +HETATM 3844 O HOH A 549 39.306 24.702 -18.228 1.00 18.39 O +HETATM 3845 O HOH A 552 68.848 27.923 9.894 1.00 15.23 O +HETATM 3846 O HOH A 553 18.935 12.322 5.845 1.00 18.22 O +HETATM 3847 O HOH A 554 37.913 35.183 0.820 1.00 21.56 O +HETATM 3848 O HOH A 555 45.693 14.730 -17.599 1.00 17.87 O +HETATM 3849 O HOH A 556 45.762 11.190 4.835 1.00 16.65 O +HETATM 3850 O HOH A 557 34.213 21.589 23.527 1.00 18.16 O +HETATM 3851 O HOH A 559 53.735 9.819 10.979 1.00 15.24 O +HETATM 3852 O HOH A 560 26.169 26.194 -7.776 1.00 17.85 O +HETATM 3853 O HOH A 563 42.320 30.241 7.477 1.00 15.41 O +HETATM 3854 O HOH A 564 56.237 12.064 18.385 1.00 18.46 O +HETATM 3855 O HOH A 565 35.974 28.361 -13.376 1.00 19.91 O +HETATM 3856 O HOH A 566 58.155 5.701 8.327 1.00 18.70 O +HETATM 3857 O HOH A 567 61.933 25.639 -9.759 1.00 15.57 O +HETATM 3858 O HOH A 568 55.058 10.622 -3.580 1.00 18.23 O +HETATM 3859 O HOH A 569 64.271 10.841 1.606 1.00 18.12 O +HETATM 3860 O HOH A 574 35.352 12.459 22.119 1.00 15.50 O +HETATM 3861 O HOH A 576 33.716 12.248 -3.779 1.00 18.68 O +HETATM 3862 O HOH A 578 44.604 34.673 -12.205 1.00 15.28 O +HETATM 3863 O HOH A 582 30.962 9.476 6.095 1.00 14.60 O +HETATM 3864 O HOH A 584 60.348 35.938 0.581 1.00 18.35 O +HETATM 3865 O HOH A 585 29.833 10.811 19.738 1.00 21.54 O +HETATM 3866 O HOH A 586 46.863 18.876 21.721 1.00 15.88 O +HETATM 3867 O HOH A 587 67.088 30.090 -3.994 1.00 16.64 O +HETATM 3868 O HOH A 588 46.050 37.001 -15.147 1.00 16.43 O +HETATM 3869 O HOH A 590 38.090 34.647 -2.538 1.00 13.44 O +HETATM 3870 O HOH A 593 42.917 33.937 -10.277 1.00 18.36 O +HETATM 3871 O HOH A 594 65.350 20.770 -0.779 1.00 15.21 O +HETATM 3872 O HOH A 596 34.028 8.025 24.674 1.00 17.82 O +HETATM 3873 O HOH A 598 38.548 15.065 24.352 1.00 17.95 O +HETATM 3874 O HOH A 599 40.661 7.767 6.672 1.00 18.48 O +HETATM 3875 O HOH A 600 27.724 22.148 11.326 1.00 23.24 O +HETATM 3876 O HOH A 603 34.830 35.827 0.029 1.00 20.66 O +HETATM 3877 O HOH A 606 43.816 25.477 25.104 1.00 22.33 O +HETATM 3878 O HOH A 609 50.773 29.608 12.188 1.00 17.89 O +HETATM 3879 O HOH A 610 54.349 16.308 -15.563 1.00 15.50 O +HETATM 3880 O HOH A 612 43.244 26.079 5.585 1.00 23.98 O +HETATM 3881 O HOH A 614 41.362 7.937 25.163 1.00 19.88 O +HETATM 3882 O HOH A 621 50.884 23.378 -16.764 1.00 17.40 O +HETATM 3883 O HOH A 622 37.756 4.693 18.304 1.00 21.86 O +HETATM 3884 O HOH A 623 37.115 21.501 -20.043 1.00 20.22 O +HETATM 3885 O HOH A 626 36.099 26.849 15.440 1.00 18.24 O +HETATM 3886 O HOH A 631 30.485 7.348 2.141 1.00 24.04 O +HETATM 3887 O HOH A 636 34.190 31.184 -4.373 1.00 17.55 O +HETATM 3888 O HOH A 638 59.874 40.399 -10.109 1.00 21.06 O +HETATM 3889 O HOH A 639 49.196 31.694 12.210 1.00 19.52 O +HETATM 3890 O HOH A 644 43.428 22.036 28.153 1.00 25.15 O +HETATM 3891 O HOH A 646 28.050 19.172 12.407 1.00 22.17 O +HETATM 3892 O HOH A 650 37.447 22.924 -8.181 1.00 17.00 O +HETATM 3893 O HOH A 651 49.855 40.832 -5.069 1.00 23.70 O +HETATM 3894 O HOH A 653 37.592 28.167 24.650 1.00 21.66 O +HETATM 3895 O HOH A 654 66.518 21.896 -8.857 1.00 23.49 O +HETATM 3896 O HOH A 655 44.944 40.835 2.805 1.00 19.41 O +HETATM 3897 O HOH A 657 40.026 17.749 -19.294 1.00 21.90 O +HETATM 3898 O HOH A 658 31.092 7.339 12.216 1.00 20.67 O +HETATM 3899 O HOH A 662 35.421 5.677 23.222 1.00 20.80 O +HETATM 3900 O HOH A 663 67.533 22.151 8.223 1.00 19.38 O +HETATM 3901 O HOH A 664 39.527 29.422 11.026 1.00 18.14 O +HETATM 3902 O HOH A 666 36.317 31.984 -1.481 1.00 16.71 O +HETATM 3903 O HOH A 668 56.683 37.742 6.670 1.00 20.65 O +HETATM 3904 O HOH A 670 58.741 35.149 -11.243 1.00 20.28 O +HETATM 3905 O HOH A 671 19.663 13.885 -4.355 1.00 19.88 O +HETATM 3906 O HOH A 672 36.740 30.635 -14.529 1.00 26.09 O +HETATM 3907 O HOH A 673 39.590 22.789 -20.045 1.00 25.83 O +HETATM 3908 O HOH A 674 29.081 14.371 16.964 1.00 23.72 O +HETATM 3909 O HOH A 676 46.458 8.330 11.454 1.00 24.76 O +HETATM 3910 O HOH A 678 57.000 3.618 6.398 1.00 19.17 O +HETATM 3911 O HOH A 682 60.799 35.451 3.670 1.00 17.62 O +HETATM 3912 O HOH A 685 58.299 32.748 -12.573 1.00 23.86 O +HETATM 3913 O HOH A 689 39.175 9.912 28.572 1.00 26.21 O +HETATM 3914 O HOH A 692 30.866 13.454 19.323 1.00 19.45 O +HETATM 3915 O HOH A 696 42.343 7.416 -4.985 1.00 20.82 O +HETATM 3916 O HOH A 698 37.893 6.657 -5.625 1.00 21.30 O +HETATM 3917 O HOH A 702 26.098 19.412 -9.270 1.00 21.97 O +HETATM 3918 O HOH A 703 37.421 31.217 5.150 1.00 20.81 O +HETATM 3919 O HOH A 705 25.169 16.747 -7.992 1.00 25.36 O +HETATM 3920 O HOH A 706 44.987 27.989 23.561 1.00 22.64 O +HETATM 3921 O HOH A 708 56.220 38.902 -10.426 1.00 19.45 O +HETATM 3922 O HOH A 709 56.951 36.455 9.101 1.00 16.09 O +HETATM 3923 O HOH A 712 35.024 27.650 23.570 1.00 30.23 O +HETATM 3924 O HOH A 713 64.498 20.282 10.644 1.00 18.06 O +HETATM 3925 O HOH A 718 38.355 37.984 2.736 1.00 19.21 O +HETATM 3926 O HOH A 719 46.811 21.146 23.223 1.00 21.03 O +HETATM 3927 O HOH A 721 29.338 18.310 -11.009 1.00 19.28 O +HETATM 3928 O HOH A 722 30.425 20.972 18.171 1.00 20.60 O +HETATM 3929 O HOH A 724 47.870 7.998 -3.578 1.00 26.61 O +HETATM 3930 O HOH A 725 51.093 27.355 14.682 1.00 1.50 O +HETATM 3931 O HOH A 727 37.655 28.491 6.366 1.00 11.75 O +HETATM 3932 O HOH A 728 53.356 29.134 14.053 1.00 12.74 O +HETATM 3933 O HOH A 734 49.238 11.657 21.105 1.00 14.83 O +HETATM 3934 O HOH A 736 27.515 6.924 5.589 1.00 16.27 O +HETATM 3935 O HOH A 738 34.261 38.358 0.977 1.00 12.77 O +HETATM 3936 O HOH A 741 53.851 9.996 0.651 1.00 16.80 O +HETATM 3937 O HOH A 742 44.540 9.241 20.731 1.00 16.32 O +HETATM 3938 O HOH A 744 55.391 14.457 -13.962 1.00 18.49 O +HETATM 3939 O HOH A 746 43.285 7.253 16.620 1.00 16.62 O +HETATM 3940 O HOH A 747 60.363 23.565 -10.926 1.00 14.37 O +HETATM 3941 O HOH A 748 34.560 35.488 -9.496 1.00 14.48 O +HETATM 3942 O HOH A 750 49.923 36.854 4.830 1.00 19.45 O +HETATM 3943 O HOH A 751 29.460 7.594 7.477 1.00 17.29 O +HETATM 3944 O HOH A 754 53.190 10.115 -5.704 1.00 18.03 O +HETATM 3945 O HOH A 755 42.981 9.332 -9.726 1.00 17.72 O +HETATM 3946 O HOH A 760 59.273 24.757 -13.202 1.00 20.32 O +HETATM 3947 O HOH A 762 58.267 41.107 -6.138 1.00 19.62 O +HETATM 3948 O HOH A 767 59.081 36.721 10.829 1.00 23.16 O +HETATM 3949 O HOH A 768 58.432 11.703 16.623 1.00 19.58 O +HETATM 3950 O HOH A 769 66.168 18.829 4.011 1.00 20.06 O +HETATM 3951 O HOH A 771 30.800 10.917 -1.779 1.00 17.64 O +HETATM 3952 O HOH A 773 64.400 15.504 6.467 1.00 21.40 O +HETATM 3953 O HOH A 774 34.612 11.217 0.523 1.00 20.31 O +HETATM 3954 O HOH A 776 40.359 24.734 26.334 1.00 21.91 O +HETATM 3955 O HOH A 781 55.520 32.090 -16.457 1.00 21.25 O +HETATM 3956 O HOH A 782 60.261 14.418 10.440 1.00 19.85 O +HETATM 3957 O HOH A 783 47.711 8.343 18.042 1.00 21.05 O +HETATM 3958 O HOH A 784 36.787 10.058 4.187 1.00 24.42 O +HETATM 3959 O HOH A 788 58.401 12.215 14.006 1.00 22.91 O +HETATM 3960 O HOH A 791 41.230 28.908 -17.419 1.00 25.14 O +HETATM 3961 O HOH A 792 66.102 20.566 -3.556 1.00 24.89 O +HETATM 3962 O HOH A 793 51.703 30.520 -18.250 1.00 23.94 O +HETATM 3963 O HOH A 797 33.607 26.338 19.296 1.00 23.38 O +HETATM 3964 O HOH A 798 65.551 17.932 -0.032 1.00 25.03 O +HETATM 3965 O HOH A 801 38.433 26.561 -19.953 1.00 23.97 O +HETATM 3966 O HOH A 803 61.269 36.448 9.227 1.00 19.99 O +HETATM 3967 O HOH A 804 27.431 15.376 -7.235 1.00 23.17 O +HETATM 3968 O HOH A 810 33.071 23.673 16.015 1.00 20.31 O +HETATM 3969 O HOH A 811 33.981 25.778 21.926 1.00 22.26 O +HETATM 3970 O HOH A 812 57.048 12.595 -6.554 1.00 23.65 O +HETATM 3971 O HOH A 813 46.824 23.625 26.175 1.00 25.02 O +HETATM 3972 O HOH A 817 36.739 29.349 12.248 1.00 22.60 O +HETATM 3973 O HOH A 818 46.577 29.988 22.008 1.00 24.17 O +HETATM 3974 O HOH A 819 54.210 39.891 -8.857 1.00 19.93 O +HETATM 3975 O HOH A 820 59.032 11.602 -1.727 1.00 24.94 O +HETATM 3976 O HOH A 821 62.637 34.277 5.387 1.00 22.50 O +HETATM 3977 O HOH A 822 40.078 3.389 17.769 1.00 25.94 O +HETATM 3978 O HOH A 826 43.553 38.093 -10.575 1.00 23.75 O +HETATM 3979 O HOH A 827 56.702 6.949 1.983 1.00 25.31 O +HETATM 3980 O HOH A 830 49.385 9.076 3.501 1.00 23.59 O +HETATM 3981 O HOH A 831 30.540 23.626 17.145 1.00 27.56 O +HETATM 3982 O HOH A 832 33.273 25.534 12.243 1.00 23.00 O +HETATM 3983 O HOH A 833 55.239 41.064 -3.415 1.00 24.19 O +HETATM 3984 O HOH A 834 42.955 35.032 -14.581 1.00 23.22 O +HETATM 3985 O HOH A 835 60.314 28.660 -15.613 1.00 23.80 O +HETATM 3986 O HOH A 837 51.924 21.701 -18.725 1.00 28.92 O +HETATM 3987 O HOH A 838 56.557 17.541 -16.636 1.00 24.75 O +HETATM 3988 O HOH A 839 29.698 25.324 9.801 1.00 24.38 O +HETATM 3989 O HOH A 840 33.035 8.803 4.367 1.00 25.84 O +HETATM 3990 O HOH A 841 45.345 24.737 -19.982 1.00 27.06 O +HETATM 3991 O HOH A 846 46.853 23.934 23.465 1.00 24.82 O +HETATM 3992 O HOH A 847 39.197 7.511 -9.775 1.00 23.69 O +HETATM 3993 O HOH A 848 38.176 29.653 17.288 1.00 22.19 O +HETATM 3994 O HOH A 849 31.982 6.734 20.767 1.00 26.27 O +HETATM 3995 O HOH A 850 18.693 21.973 -0.885 1.00 24.78 O +HETATM 3996 O HOH A 851 27.848 17.261 15.322 1.00 23.10 O +HETATM 3997 O HOH A 852 50.862 41.599 -7.450 1.00 25.06 O +HETATM 3998 O HOH A 854 30.506 11.816 -8.825 1.00 24.83 O +HETATM 3999 O HOH A 858 25.835 30.995 -2.625 1.00 26.08 O +HETATM 4000 O HOH A 859 28.572 8.699 13.329 1.00 26.86 O +HETATM 4001 O HOH A 860 67.997 25.976 11.648 1.00 23.86 O +HETATM 4002 O HOH A 863 45.303 37.685 8.400 1.00 24.48 O +HETATM 4003 O HOH A 864 27.520 11.977 -5.284 1.00 27.78 O +HETATM 4004 O HOH A 866 66.331 28.886 3.049 1.00 22.16 O +HETATM 4005 O HOH A 867 48.631 34.067 -18.873 1.00 26.19 O +HETATM 4006 O HOH A 868 45.122 9.514 6.951 1.00 29.12 O +HETATM 4007 O HOH A 869 65.646 36.660 -10.497 1.00 25.07 O +HETATM 4008 O HOH A 870 64.022 14.404 -1.851 1.00 24.20 O +HETATM 4009 O HOH A 873 69.299 24.678 -4.957 1.00 27.37 O +HETATM 4010 O HOH A 877 46.750 11.435 -17.201 1.00 29.70 O +HETATM 4011 O HOH A 879 43.641 35.038 -7.648 1.00 27.65 O +HETATM 4012 O HOH A 885 20.546 27.327 -4.648 1.00 27.97 O +HETATM 4013 O HOH A 888 47.538 9.322 -15.398 1.00 24.90 O +HETATM 4014 O HOH A 889 14.269 17.507 6.572 1.00 28.01 O +HETATM 4015 O HOH A 890 30.941 17.560 -16.709 1.00 22.28 O +HETATM 4016 O HOH A 891 49.644 26.189 -19.669 1.00 26.33 O +HETATM 4017 O HOH A 892 26.733 28.523 6.864 1.00 26.96 O +HETATM 4018 O HOH A 894 35.616 20.443 26.299 1.00 26.47 O +HETATM 4019 O HOH A 896 55.975 4.473 2.690 1.00 25.60 O +HETATM 4020 O HOH A 898 31.036 35.336 0.206 1.00 27.54 O +HETATM 4021 O HOH A 904 28.592 19.077 17.358 1.00 28.23 O +HETATM 4022 O HOH A 907 43.221 7.641 5.310 1.00 28.73 O +HETATM 4023 O HOH A 908 45.858 19.143 -21.694 1.00 26.47 O +HETATM 4024 O HOH A 910 64.266 21.916 -10.473 1.00 28.70 O +HETATM 4025 O HOH A 911 19.732 10.838 7.980 1.00 27.07 O +HETATM 4026 O HOH A 913 34.487 32.345 -12.229 1.00 30.12 O +HETATM 4027 O HOH A 914 23.636 27.660 0.887 1.00 30.17 O +HETATM 4028 O HOH A 915 37.293 10.094 -13.066 1.00 30.36 O +HETATM 4029 O HOH A 916 43.960 9.697 -14.406 1.00 32.00 O +HETATM 4030 O HOH A 917 42.123 34.905 14.493 1.00 26.72 O +HETATM 4031 O HOH A 920 39.606 36.305 -11.836 1.00 29.33 O +HETATM 4032 O HOH A 924 34.841 9.314 -14.160 1.00 28.16 O +HETATM 4033 O HOH A 926 37.118 18.828 -19.972 1.00 27.65 O +HETATM 4034 O HOH A 927 63.880 36.802 10.268 1.00 27.95 O +HETATM 4035 O HOH A 928 64.243 28.261 -13.325 1.00 30.10 O +HETATM 4036 O HOH A 929 31.956 11.844 -15.764 1.00 26.86 O +HETATM 4037 O HOH A 930 30.147 20.484 20.857 1.00 28.80 O +HETATM 4038 O HOH A 934 21.609 21.785 -8.516 1.00 28.90 O +HETATM 4039 O HOH A 937 41.640 8.462 0.850 1.00 25.97 O +HETATM 4040 O HOH A 941 61.978 11.003 -1.053 1.00 34.59 O +HETATM 4041 O HOH A 942 34.410 31.418 5.214 1.00 31.59 O +HETATM 4042 O HOH A 946 18.188 14.582 3.296 1.00 30.26 O +HETATM 4043 O HOH A 947 47.903 37.632 6.457 1.00 27.45 O +HETATM 4044 O HOH A 950 66.564 22.701 5.511 1.00 30.53 O +HETATM 4045 O HOH A 954 49.283 34.351 12.431 1.00 28.97 O +HETATM 4046 O HOH A 955 41.117 28.123 6.277 1.00 26.91 O +HETATM 4047 O HOH A 956 42.137 15.628 27.922 1.00 27.92 O +HETATM 4048 O HOH A 957 22.925 23.756 9.478 1.00 22.73 O +HETATM 4049 O HOH A 958 33.227 5.712 12.495 1.00 27.65 O +HETATM 4050 O HOH A 959 41.426 12.008 -14.860 1.00 30.21 O +HETATM 4051 O HOH A 960 65.355 33.004 4.496 1.00 30.28 O +HETATM 4052 O HOH A 963 56.595 6.644 10.967 1.00 27.07 O +HETATM 4053 O HOH A 966 39.089 27.271 27.167 1.00 29.82 O +HETATM 4054 O HOH A 968 45.953 7.703 14.053 1.00 25.66 O +HETATM 4055 O HOH A 969 29.406 17.256 -6.917 1.00 27.17 O +HETATM 4056 O HOH A 973 26.163 17.408 13.125 1.00 28.06 O +HETATM 4057 O HOH A 975 32.138 14.961 -16.744 1.00 30.88 O +HETATM 4058 O HOH A 976 39.436 15.826 26.754 1.00 31.01 O +HETATM 4059 O HOH A 977 40.857 33.975 12.084 1.00 24.59 O +HETATM 4060 O HOH A 978 27.267 30.198 4.538 1.00 26.58 O +HETATM 4061 O HOH A 979 68.151 19.431 8.288 1.00 29.52 O +HETATM 4062 O HOH A 981 51.931 34.935 11.835 1.00 27.48 O +HETATM 4063 O HOH A 982 51.754 39.525 -0.619 1.00 29.50 O +HETATM 4064 O HOH A 984 48.952 35.828 15.162 1.00 32.63 O +HETATM 4065 O HOH A 987 62.442 33.957 -12.987 1.00 29.46 O +HETATM 4066 O HOH A 988 55.773 33.000 -13.776 1.00 29.14 O +HETATM 4067 O HOH A 990 14.061 19.521 0.502 1.00 36.80 O +HETATM 4068 O HOH A 996 31.830 30.604 -5.991 1.00 25.93 O +HETATM 4069 O HOH A 997 66.974 22.300 1.041 1.00 29.86 O +HETATM 4070 O HOH A 999 32.174 19.989 22.745 1.00 28.47 O +HETATM 4071 O HOH A1003 37.924 8.149 2.478 1.00 29.78 O +HETATM 4072 O HOH A1004 56.639 24.112 -15.315 1.00 31.18 O +HETATM 4073 O HOH A1005 51.465 35.587 -4.278 1.00 41.09 O +HETATM 4074 O HOH A1006 43.341 8.854 10.402 1.00 29.04 O +HETATM 4075 O HOH A1008 50.054 9.954 11.401 1.00 26.69 O +HETATM 4076 O HOH A1009 29.616 14.718 21.597 1.00 32.73 O +HETATM 4077 O HOH A1012 47.491 8.124 6.835 1.00 28.82 O +HETATM 4078 O HOH A1013 65.922 30.903 0.818 1.00 27.14 O +HETATM 4079 O HOH A1014 39.782 37.442 5.163 1.00 30.08 O +HETATM 4080 O HOH A1019 29.325 14.200 -10.508 1.00 28.79 O +HETATM 4081 O HOH A1020 40.433 34.899 16.692 1.00 31.50 O +HETATM 4082 O HOH A1021 39.124 33.335 5.695 1.00 29.69 O +HETATM 4083 O HOH A1025 46.099 7.721 -5.893 1.00 30.43 O +HETATM 4084 O HOH A1026 43.164 14.531 -16.892 1.00 37.45 O +HETATM 4085 O HOH A1027 51.632 7.720 -5.231 1.00 26.40 O +HETATM 4086 O HOH A1029 66.070 28.942 -11.321 1.00 28.48 O +HETATM 4087 O HOH B 400 52.988 26.125 20.360 1.00 3.11 O +HETATM 4088 O HOH B 403 52.517 26.764 41.372 1.00 5.11 O +HETATM 4089 O HOH B 404 48.503 23.956 36.224 1.00 5.90 O +HETATM 4090 O HOH B 405 47.892 17.910 37.035 1.00 7.19 O +HETATM 4091 O HOH B 406 55.654 27.737 13.994 1.00 6.20 O +HETATM 4092 O HOH B 408 48.880 14.745 29.033 1.00 7.01 O +HETATM 4093 O HOH B 411 53.065 24.240 18.189 1.00 5.49 O +HETATM 4094 O HOH B 412 55.562 32.204 23.547 1.00 6.15 O +HETATM 4095 O HOH B 413 54.436 25.246 13.712 1.00 8.68 O +HETATM 4096 O HOH B 414 51.596 21.885 26.167 1.00 6.52 O +HETATM 4097 O HOH B 416 54.290 27.786 45.833 1.00 7.58 O +HETATM 4098 O HOH B 417 53.302 23.235 24.513 1.00 7.15 O +HETATM 4099 O HOH B 418 70.307 30.239 20.347 1.00 7.24 O +HETATM 4100 O HOH B 423 70.495 15.329 35.365 1.00 9.36 O +HETATM 4101 O HOH B 425 52.035 11.514 39.440 1.00 8.02 O +HETATM 4102 O HOH B 428 66.084 20.220 19.636 1.00 7.70 O +HETATM 4103 O HOH B 432 60.143 30.357 32.398 1.00 8.87 O +HETATM 4104 O HOH B 433 47.610 14.708 36.470 1.00 6.44 O +HETATM 4105 O HOH B 436 47.785 27.930 43.127 1.00 9.41 O +HETATM 4106 O HOH B 437 74.682 29.073 44.821 1.00 10.21 O +HETATM 4107 O HOH B 438 48.131 7.590 31.672 1.00 8.90 O +HETATM 4108 O HOH B 441 67.522 13.514 38.034 1.00 7.50 O +HETATM 4109 O HOH B 442 46.571 15.732 27.893 1.00 8.61 O +HETATM 4110 O HOH B 445 70.492 31.159 17.681 1.00 8.04 O +HETATM 4111 O HOH B 446 50.222 20.939 22.449 1.00 8.64 O +HETATM 4112 O HOH B 447 49.427 7.533 29.290 1.00 9.46 O +HETATM 4113 O HOH B 454 65.831 29.120 12.645 1.00 8.89 O +HETATM 4114 O HOH B 456 58.067 35.033 37.403 1.00 10.52 O +HETATM 4115 O HOH B 457 44.918 27.985 40.788 1.00 9.36 O +HETATM 4116 O HOH B 458 67.432 25.076 16.240 1.00 12.73 O +HETATM 4117 O HOH B 460 77.246 24.189 40.309 1.00 16.05 O +HETATM 4118 O HOH B 464 69.086 42.901 19.094 1.00 13.88 O +HETATM 4119 O HOH B 465 62.159 34.092 8.051 1.00 11.33 O +HETATM 4120 O HOH B 468 45.817 31.623 34.297 1.00 10.85 O +HETATM 4121 O HOH B 469 73.395 33.087 27.495 1.00 10.52 O +HETATM 4122 O HOH B 470 58.770 38.548 36.155 1.00 11.32 O +HETATM 4123 O HOH B 471 71.563 44.107 18.867 1.00 15.90 O +HETATM 4124 O HOH B 473 68.729 40.811 42.833 1.00 10.04 O +HETATM 4125 O HOH B 475 57.362 32.204 51.544 1.00 12.33 O +HETATM 4126 O HOH B 476 61.528 14.826 17.730 1.00 11.65 O +HETATM 4127 O HOH B 477 70.085 13.131 39.183 1.00 12.81 O +HETATM 4128 O HOH B 478 51.103 31.706 16.583 1.00 13.51 O +HETATM 4129 O HOH B 483 71.043 12.622 32.730 1.00 18.91 O +HETATM 4130 O HOH B 485 68.124 18.353 19.366 1.00 11.95 O +HETATM 4131 O HOH B 490 76.668 26.490 33.793 1.00 15.74 O +HETATM 4132 O HOH B 491 68.299 15.620 29.207 1.00 11.19 O +HETATM 4133 O HOH B 492 49.402 22.983 25.958 1.00 8.96 O +HETATM 4134 O HOH B 496 44.796 9.867 30.531 1.00 13.89 O +HETATM 4135 O HOH B 498 46.567 7.156 34.939 1.00 16.75 O +HETATM 4136 O HOH B 499 72.821 32.935 51.853 1.00 14.66 O +HETATM 4137 O HOH B 504 57.635 38.785 28.348 1.00 15.55 O +HETATM 4138 O HOH B 505 77.306 39.555 40.136 1.00 13.94 O +HETATM 4139 O HOH B 506 60.651 8.273 25.371 1.00 13.12 O +HETATM 4140 O HOH B 508 54.815 1.563 34.495 1.00 14.15 O +HETATM 4141 O HOH B 513 69.059 12.791 35.809 1.00 14.67 O +HETATM 4142 O HOH B 514 75.077 15.364 43.346 1.00 14.40 O +HETATM 4143 O HOH B 516 48.534 20.593 25.690 1.00 14.14 O +HETATM 4144 O HOH B 518 64.680 12.270 20.782 1.00 12.12 O +HETATM 4145 O HOH B 519 43.609 15.123 42.109 1.00 12.72 O +HETATM 4146 O HOH B 521 68.892 44.045 21.656 1.00 16.11 O +HETATM 4147 O HOH B 522 53.453 33.121 43.966 1.00 12.65 O +HETATM 4148 O HOH B 524 53.260 9.841 21.807 1.00 11.39 O +HETATM 4149 O HOH B 527 70.819 24.202 27.247 1.00 17.39 O +HETATM 4150 O HOH B 528 46.039 9.924 23.915 1.00 13.27 O +HETATM 4151 O HOH B 529 74.313 41.719 25.823 1.00 13.63 O +HETATM 4152 O HOH B 532 64.687 47.454 41.042 1.00 18.66 O +HETATM 4153 O HOH B 534 58.299 5.946 30.905 1.00 12.67 O +HETATM 4154 O HOH B 541 57.898 40.835 23.832 1.00 18.40 O +HETATM 4155 O HOH B 543 74.900 34.374 36.924 1.00 14.79 O +HETATM 4156 O HOH B 547 67.911 9.951 33.200 1.00 17.49 O +HETATM 4157 O HOH B 550 65.979 34.050 51.259 1.00 15.39 O +HETATM 4158 O HOH B 551 54.325 29.169 50.111 1.00 15.12 O +HETATM 4159 O HOH B 558 57.124 13.450 50.791 1.00 16.71 O +HETATM 4160 O HOH B 561 74.627 31.709 30.028 1.00 19.95 O +HETATM 4161 O HOH B 562 67.616 8.469 25.904 1.00 18.30 O +HETATM 4162 O HOH B 570 57.808 29.334 32.760 1.00 16.60 O +HETATM 4163 O HOH B 571 62.514 29.998 52.485 1.00 17.15 O +HETATM 4164 O HOH B 572 64.090 37.733 13.057 1.00 11.78 O +HETATM 4165 O HOH B 573 54.282 23.763 51.560 1.00 16.61 O +HETATM 4166 O HOH B 575 52.779 18.256 54.627 1.00 17.35 O +HETATM 4167 O HOH B 577 54.984 26.050 50.001 1.00 19.25 O +HETATM 4168 O HOH B 579 64.798 25.858 15.155 1.00 16.19 O +HETATM 4169 O HOH B 580 49.955 28.010 23.248 1.00 18.67 O +HETATM 4170 O HOH B 581 52.514 35.356 14.885 1.00 15.42 O +HETATM 4171 O HOH B 583 68.025 39.334 14.965 1.00 15.61 O +HETATM 4172 O HOH B 589 61.288 20.244 53.412 1.00 21.86 O +HETATM 4173 O HOH B 591 55.605 10.335 20.457 1.00 19.56 O +HETATM 4174 O HOH B 592 56.509 31.019 14.283 1.00 11.80 O +HETATM 4175 O HOH B 595 61.951 10.280 20.980 1.00 23.64 O +HETATM 4176 O HOH B 597 73.222 35.341 48.412 1.00 18.21 O +HETATM 4177 O HOH B 601 71.333 15.341 31.747 1.00 18.60 O +HETATM 4178 O HOH B 602 43.190 19.628 29.359 1.00 19.62 O +HETATM 4179 O HOH B 604 44.047 8.822 33.475 1.00 16.86 O +HETATM 4180 O HOH B 605 48.686 27.441 47.400 1.00 15.82 O +HETATM 4181 O HOH B 607 74.752 35.785 12.686 1.00 17.06 O +HETATM 4182 O HOH B 608 66.051 29.435 45.484 1.00 14.57 O +HETATM 4183 O HOH B 611 57.269 7.202 46.835 1.00 19.88 O +HETATM 4184 O HOH B 613 70.404 21.783 25.868 1.00 18.01 O +HETATM 4185 O HOH B 615 59.428 45.372 36.350 1.00 22.20 O +HETATM 4186 O HOH B 616 62.570 45.313 19.833 1.00 21.88 O +HETATM 4187 O HOH B 617 77.199 40.176 47.712 1.00 26.36 O +HETATM 4188 O HOH B 618 71.500 36.799 46.946 1.00 17.02 O +HETATM 4189 O HOH B 619 73.205 22.306 52.718 1.00 21.75 O +HETATM 4190 O HOH B 620 66.008 40.964 48.960 1.00 18.16 O +HETATM 4191 O HOH B 624 54.271 35.391 30.052 1.00 15.97 O +HETATM 4192 O HOH B 625 78.331 45.103 42.672 1.00 13.12 O +HETATM 4193 O HOH B 627 74.968 39.835 46.377 1.00 23.69 O +HETATM 4194 O HOH B 628 52.721 21.843 54.545 1.00 18.16 O +HETATM 4195 O HOH B 629 73.626 17.092 49.127 1.00 19.64 O +HETATM 4196 O HOH B 630 47.605 34.542 28.556 1.00 23.20 O +HETATM 4197 O HOH B 632 79.558 29.786 50.039 1.00 22.96 O +HETATM 4198 O HOH B 633 73.871 47.187 45.569 1.00 19.71 O +HETATM 4199 O HOH B 634 66.722 38.549 12.777 1.00 21.39 O +HETATM 4200 O HOH B 635 45.053 27.766 35.941 1.00 21.35 O +HETATM 4201 O HOH B 637 65.892 41.004 14.733 1.00 18.07 O +HETATM 4202 O HOH B 640 65.461 8.782 33.297 1.00 18.19 O +HETATM 4203 O HOH B 641 54.822 36.183 11.123 1.00 19.57 O +HETATM 4204 O HOH B 642 53.503 32.500 12.381 1.00 17.86 O +HETATM 4205 O HOH B 643 76.355 37.924 29.404 1.00 21.07 O +HETATM 4206 O HOH B 645 53.622 31.529 32.456 1.00 14.31 O +HETATM 4207 O HOH B 647 56.834 36.376 34.931 1.00 24.05 O +HETATM 4208 O HOH B 648 46.949 19.311 48.405 1.00 19.94 O +HETATM 4209 O HOH B 649 75.399 34.233 15.682 1.00 18.03 O +HETATM 4210 O HOH B 652 72.685 39.245 48.146 1.00 21.23 O +HETATM 4211 O HOH B 656 50.381 34.283 16.821 1.00 21.60 O +HETATM 4212 O HOH B 659 65.265 52.315 32.428 1.00 29.39 O +HETATM 4213 O HOH B 660 44.652 14.236 33.214 1.00 20.41 O +HETATM 4214 O HOH B 661 43.167 19.342 32.779 1.00 21.90 O +HETATM 4215 O HOH B 665 54.270 3.750 31.334 1.00 19.38 O +HETATM 4216 O HOH B 667 57.960 34.051 11.683 1.00 17.40 O +HETATM 4217 O HOH B 669 76.586 30.550 34.692 1.00 20.36 O +HETATM 4218 O HOH B 675 52.485 34.312 34.915 1.00 15.05 O +HETATM 4219 O HOH B 677 47.861 7.602 26.914 1.00 17.57 O +HETATM 4220 O HOH B 679 60.439 26.190 53.359 1.00 17.55 O +HETATM 4221 O HOH B 680 72.755 45.975 48.870 1.00 19.71 O +HETATM 4222 O HOH B 681 73.991 13.536 41.301 1.00 15.51 O +HETATM 4223 O HOH B 683 76.714 43.994 39.914 1.00 22.31 O +HETATM 4224 O HOH B 684 62.619 44.468 22.479 1.00 19.37 O +HETATM 4225 O HOH B 686 67.030 44.363 27.549 1.00 21.62 O +HETATM 4226 O HOH B 687 71.361 43.917 49.681 1.00 22.96 O +HETATM 4227 O HOH B 688 75.585 32.551 38.834 1.00 22.57 O +HETATM 4228 O HOH B 690 56.340 34.578 43.050 1.00 15.49 O +HETATM 4229 O HOH B 691 64.503 49.033 33.630 1.00 20.47 O +HETATM 4230 O HOH B 693 52.370 41.487 17.730 1.00 22.14 O +HETATM 4231 O HOH B 694 77.328 39.536 19.304 1.00 22.06 O +HETATM 4232 O HOH B 695 80.613 28.371 39.434 1.00 28.63 O +HETATM 4233 O HOH B 697 71.262 20.208 21.526 1.00 27.89 O +HETATM 4234 O HOH B 699 71.886 22.155 50.306 1.00 35.35 O +HETATM 4235 O HOH B 700 78.026 23.538 35.976 1.00 22.92 O +HETATM 4236 O HOH B 701 45.260 7.907 38.520 1.00 22.81 O +HETATM 4237 O HOH B 704 54.999 40.471 32.148 1.00 22.14 O +HETATM 4238 O HOH B 707 47.239 7.762 22.818 1.00 20.90 O +HETATM 4239 O HOH B 710 49.251 39.202 27.308 1.00 26.21 O +HETATM 4240 O HOH B 711 71.175 28.159 11.462 1.00 22.98 O +HETATM 4241 O HOH B 714 73.701 34.332 30.761 1.00 19.86 O +HETATM 4242 O HOH B 715 67.898 9.827 38.284 1.00 26.52 O +HETATM 4243 O HOH B 716 63.584 19.321 12.960 1.00 23.24 O +HETATM 4244 O HOH B 717 65.869 5.421 29.859 1.00 29.67 O +HETATM 4245 O HOH B 720 44.388 20.867 47.817 1.00 29.15 O +HETATM 4246 O HOH B 723 53.672 7.347 22.785 1.00 21.59 O +HETATM 4247 O HOH B 726 51.783 25.401 22.934 1.00 4.29 O +HETATM 4248 O HOH B 729 42.300 9.946 31.663 1.00 20.15 O +HETATM 4249 O HOH B 730 45.559 7.250 30.521 1.00 12.62 O +HETATM 4250 O HOH B 731 64.937 26.343 12.380 1.00 14.77 O +HETATM 4251 O HOH B 732 68.562 29.867 12.941 1.00 12.21 O +HETATM 4252 O HOH B 733 49.574 23.526 23.424 1.00 19.79 O +HETATM 4253 O HOH B 735 58.972 31.785 10.836 1.00 15.79 O +HETATM 4254 O HOH B 737 71.971 29.286 16.297 1.00 17.10 O +HETATM 4255 O HOH B 739 59.217 31.996 53.563 1.00 15.94 O +HETATM 4256 O HOH B 740 70.525 28.239 14.068 1.00 14.33 O +HETATM 4257 O HOH B 743 77.240 38.336 37.667 1.00 18.40 O +HETATM 4258 O HOH B 745 46.333 25.236 35.152 1.00 18.00 O +HETATM 4259 O HOH B 749 45.704 6.247 27.952 1.00 17.87 O +HETATM 4260 O HOH B 752 74.808 27.519 29.664 1.00 30.63 O +HETATM 4261 O HOH B 753 69.190 31.397 10.711 1.00 19.32 O +HETATM 4262 O HOH B 756 62.249 12.975 19.674 1.00 16.23 O +HETATM 4263 O HOH B 757 77.295 35.589 37.365 1.00 20.11 O +HETATM 4264 O HOH B 758 76.195 31.666 15.032 1.00 20.96 O +HETATM 4265 O HOH B 759 78.772 42.039 40.309 1.00 19.08 O +HETATM 4266 O HOH B 761 63.706 15.767 16.163 1.00 19.13 O +HETATM 4267 O HOH B 763 70.852 14.899 28.881 1.00 21.18 O +HETATM 4268 O HOH B 764 77.199 21.281 41.218 1.00 21.10 O +HETATM 4269 O HOH B 765 67.499 36.246 52.310 1.00 21.01 O +HETATM 4270 O HOH B 766 45.593 17.607 25.943 1.00 19.63 O +HETATM 4271 O HOH B 770 59.327 42.758 16.981 1.00 20.86 O +HETATM 4272 O HOH B 772 51.060 5.489 28.438 1.00 18.69 O +HETATM 4273 O HOH B 775 71.129 23.010 54.292 1.00 20.31 O +HETATM 4274 O HOH B 777 55.284 -0.073 32.448 1.00 27.20 O +HETATM 4275 O HOH B 778 60.991 28.680 54.512 1.00 20.56 O +HETATM 4276 O HOH B 779 69.837 10.713 40.674 1.00 21.64 O +HETATM 4277 O HOH B 780 72.237 19.960 27.081 1.00 24.12 O +HETATM 4278 O HOH B 785 54.191 38.382 42.447 1.00 21.32 O +HETATM 4279 O HOH B 786 66.933 43.551 14.420 1.00 20.68 O +HETATM 4280 O HOH B 787 69.429 25.728 14.398 1.00 21.10 O +HETATM 4281 O HOH B 789 42.686 7.886 27.632 1.00 22.08 O +HETATM 4282 O HOH B 790 45.652 16.925 47.523 1.00 24.74 O +HETATM 4283 O HOH B 794 63.475 16.615 13.605 1.00 25.87 O +HETATM 4284 O HOH B 795 77.198 46.030 38.154 1.00 21.16 O +HETATM 4285 O HOH B 796 65.170 45.532 23.534 1.00 20.93 O +HETATM 4286 O HOH B 799 70.912 25.452 55.529 1.00 21.45 O +HETATM 4287 O HOH B 800 48.893 31.393 27.414 1.00 22.11 O +HETATM 4288 O HOH B 802 67.686 44.961 24.903 1.00 21.21 O +HETATM 4289 O HOH B 805 57.802 14.508 53.444 1.00 26.13 O +HETATM 4290 O HOH B 806 50.950 41.185 28.240 1.00 21.92 O +HETATM 4291 O HOH B 807 51.896 27.531 47.680 1.00 21.94 O +HETATM 4292 O HOH B 808 53.476 31.629 15.157 1.00 21.16 O +HETATM 4293 O HOH B 809 44.038 10.308 27.999 1.00 25.42 O +HETATM 4294 O HOH B 814 52.484 36.261 9.366 1.00 20.97 O +HETATM 4295 O HOH B 815 70.308 9.211 25.202 1.00 23.35 O +HETATM 4296 O HOH B 816 52.179 3.443 29.771 1.00 19.10 O +HETATM 4297 O HOH B 823 75.944 25.474 31.313 1.00 26.01 O +HETATM 4298 O HOH B 824 51.516 30.318 49.535 1.00 23.10 O +HETATM 4299 O HOH B 825 43.762 8.179 23.349 1.00 25.71 O +HETATM 4300 O HOH B 828 64.784 17.712 55.290 1.00 26.97 O +HETATM 4301 O HOH B 829 59.323 8.245 45.207 1.00 26.59 O +HETATM 4302 O HOH B 836 43.878 26.740 38.548 1.00 22.25 O +HETATM 4303 O HOH B 842 56.345 31.751 33.191 1.00 22.63 O +HETATM 4304 O HOH B 843 51.980 33.302 31.376 1.00 24.22 O +HETATM 4305 O HOH B 844 66.060 6.500 39.685 1.00 27.74 O +HETATM 4306 O HOH B 845 49.057 27.129 27.362 1.00 23.34 O +HETATM 4307 O HOH B 853 69.664 15.751 54.562 1.00 24.14 O +HETATM 4308 O HOH B 855 46.563 28.140 45.664 1.00 24.49 O +HETATM 4309 O HOH B 856 43.834 12.484 31.270 1.00 22.41 O +HETATM 4310 O HOH B 857 58.704 2.440 38.290 1.00 23.70 O +HETATM 4311 O HOH B 861 55.631 5.275 29.479 1.00 25.60 O +HETATM 4312 O HOH B 862 62.708 46.108 42.478 1.00 26.97 O +HETATM 4313 O HOH B 865 46.178 9.825 37.057 1.00 35.81 O +HETATM 4314 O HOH B 871 72.664 13.683 35.046 1.00 26.30 O +HETATM 4315 O HOH B 872 77.587 22.398 47.062 1.00 27.70 O +HETATM 4316 O HOH B 874 73.261 17.018 32.654 1.00 22.54 O +HETATM 4317 O HOH B 875 61.147 23.922 54.561 1.00 25.41 O +HETATM 4318 O HOH B 876 58.527 35.547 44.245 1.00 19.72 O +HETATM 4319 O HOH B 878 53.929 38.261 29.554 1.00 29.32 O +HETATM 4320 O HOH B 880 66.724 24.783 54.716 1.00 22.77 O +HETATM 4321 O HOH B 881 55.151 24.754 54.163 1.00 27.77 O +HETATM 4322 O HOH B 882 64.499 9.544 20.670 1.00 26.66 O +HETATM 4323 O HOH B 883 44.718 26.401 44.399 1.00 24.04 O +HETATM 4324 O HOH B 884 54.764 30.997 52.012 1.00 29.50 O +HETATM 4325 O HOH B 886 64.768 9.468 47.867 1.00 26.71 O +HETATM 4326 O HOH B 887 65.070 7.186 35.711 1.00 25.91 O +HETATM 4327 O HOH B 893 75.476 42.943 23.711 1.00 25.95 O +HETATM 4328 O HOH B 895 68.865 9.640 30.628 1.00 29.43 O +HETATM 4329 O HOH B 897 75.176 46.379 49.946 1.00 28.30 O +HETATM 4330 O HOH B 899 43.034 8.944 39.925 1.00 24.50 O +HETATM 4331 O HOH B 900 48.807 32.553 18.671 1.00 32.79 O +HETATM 4332 O HOH B 901 49.369 11.127 47.157 1.00 24.84 O +HETATM 4333 O HOH B 902 60.943 47.560 37.127 1.00 29.42 O +HETATM 4334 O HOH B 903 72.309 24.979 25.213 1.00 35.30 O +HETATM 4335 O HOH B 905 59.642 40.676 28.678 1.00 29.98 O +HETATM 4336 O HOH B 906 75.155 27.737 54.821 1.00 24.29 O +HETATM 4337 O HOH B 909 63.813 40.509 13.088 1.00 28.29 O +HETATM 4338 O HOH B 912 75.330 33.031 34.515 1.00 25.55 O +HETATM 4339 O HOH B 918 65.520 32.315 53.274 1.00 30.32 O +HETATM 4340 O HOH B 919 75.911 33.969 28.010 1.00 25.85 O +HETATM 4341 O HOH B 921 71.550 45.279 21.991 1.00 28.59 O +HETATM 4342 O HOH B 922 75.409 37.871 44.573 1.00 25.40 O +HETATM 4343 O HOH B 923 68.210 22.457 17.513 1.00 29.06 O +HETATM 4344 O HOH B 925 71.990 25.200 20.918 1.00 29.97 O +HETATM 4345 O HOH B 931 76.978 37.266 22.126 1.00 26.24 O +HETATM 4346 O HOH B 932 76.819 34.789 46.514 1.00 27.27 O +HETATM 4347 O HOH B 933 66.399 21.553 56.569 1.00 25.86 O +HETATM 4348 O HOH B 935 60.545 7.681 49.308 1.00 29.08 O +HETATM 4349 O HOH B 936 42.699 17.680 41.651 1.00 28.58 O +HETATM 4350 O HOH B 938 74.163 27.837 13.170 1.00 28.78 O +HETATM 4351 O HOH B 939 49.378 31.488 22.978 1.00 24.53 O +HETATM 4352 O HOH B 940 42.768 25.033 42.048 1.00 28.61 O +HETATM 4353 O HOH B 943 50.704 25.257 26.165 1.00 27.90 O +HETATM 4354 O HOH B 944 76.994 27.500 52.308 1.00 25.41 O +HETATM 4355 O HOH B 945 79.286 49.538 43.856 1.00 26.55 O +HETATM 4356 O HOH B 948 52.160 41.400 15.011 1.00 33.07 O +HETATM 4357 O HOH B 949 78.279 33.892 43.880 1.00 26.63 O +HETATM 4358 O HOH B 951 67.945 28.881 56.967 1.00 28.27 O +HETATM 4359 O HOH B 952 71.504 11.090 30.528 1.00 28.38 O +HETATM 4360 O HOH B 953 51.797 10.312 19.547 1.00 27.02 O +HETATM 4361 O HOH B 961 75.331 31.946 52.113 1.00 25.35 O +HETATM 4362 O HOH B 962 59.697 43.119 46.235 1.00 28.20 O +HETATM 4363 O HOH B 964 58.266 2.426 34.482 1.00 26.58 O +HETATM 4364 O HOH B 965 56.220 34.852 46.568 1.00 25.97 O +HETATM 4365 O HOH B 967 79.856 24.829 41.209 1.00 28.90 O +HETATM 4366 O HOH B 970 43.464 21.740 33.989 1.00 29.26 O +HETATM 4367 O HOH B 971 79.207 26.218 45.890 1.00 23.27 O +HETATM 4368 O HOH B 972 77.124 41.659 26.197 1.00 26.20 O +HETATM 4369 O HOH B 974 49.337 4.380 26.489 1.00 28.13 O +HETATM 4370 O HOH B 980 70.133 33.619 9.496 1.00 25.93 O +HETATM 4371 O HOH B 983 67.980 52.946 37.832 1.00 28.54 O +HETATM 4372 O HOH B 985 58.561 44.193 38.707 1.00 30.14 O +HETATM 4373 O HOH B 986 52.302 25.683 49.637 1.00 27.13 O +HETATM 4374 O HOH B 989 79.464 39.208 36.033 1.00 29.13 O +HETATM 4375 O HOH B 991 61.120 43.078 31.987 1.00 30.23 O +HETATM 4376 O HOH B 992 77.847 28.767 32.920 1.00 29.67 O +HETATM 4377 O HOH B 993 56.046 5.969 22.957 1.00 30.98 O +HETATM 4378 O HOH B 994 54.881 7.404 48.933 1.00 27.44 O +HETATM 4379 O HOH B 995 78.065 31.479 37.510 1.00 28.22 O +HETATM 4380 O HOH B 998 52.010 10.377 47.592 1.00 28.51 O +HETATM 4381 O HOH B1000 71.714 11.777 36.872 1.00 28.65 O +HETATM 4382 O HOH B1001 55.112 11.715 51.379 1.00 28.30 O +HETATM 4383 O HOH B1002 66.905 12.358 18.924 1.00 26.53 O +HETATM 4384 O HOH B1007 63.199 24.550 56.201 1.00 32.71 O +HETATM 4385 O HOH B1010 68.277 7.987 28.467 1.00 29.43 O +HETATM 4386 O HOH B1011 54.673 4.075 42.127 1.00 26.16 O +HETATM 4387 O HOH B1015 57.771 20.609 57.969 1.00 29.02 O +HETATM 4388 O HOH B1016 69.375 9.749 45.460 1.00 33.30 O +HETATM 4389 O HOH B1017 71.984 22.810 23.568 1.00 27.55 O +HETATM 4390 O HOH B1018 60.866 46.754 40.093 1.00 32.66 O +HETATM 4391 O HOH B1022 61.762 4.757 44.658 1.00 30.74 O +HETATM 4392 O HOH B1023 61.124 21.918 56.478 1.00 33.18 O +HETATM 4393 O HOH B1024 48.877 8.580 20.765 1.00 27.51 O +HETATM 4394 O HOH B1028 53.306 6.136 26.975 1.00 31.57 O +HETATM 4395 O HOH B1030 59.029 6.240 25.889 1.00 30.08 O +MASTER 243 0 0 24 20 0 0 6 4393 2 0 40 +END diff --git a/inputs/1UBQ.pdb b/inputs/1UBQ.pdb deleted file mode 100644 index ac5211c1ac3..00000000000 --- a/inputs/1UBQ.pdb +++ /dev/null @@ -1,970 +0,0 @@ -HEADER CHROMOSOMAL PROTEIN 02-JAN-87 1UBQ -TITLE STRUCTURE OF UBIQUITIN REFINED AT 1.8 ANGSTROMS RESOLUTION -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: UBIQUITIN; -COMPND 3 CHAIN: A; -COMPND 4 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 3 ORGANISM_COMMON: HUMAN; -SOURCE 4 ORGANISM_TAXID: 9606 -KEYWDS CHROMOSOMAL PROTEIN -EXPDTA X-RAY DIFFRACTION -AUTHOR S.VIJAY-KUMAR,C.E.BUGG,W.J.COOK -REVDAT 6 14-FEB-24 1UBQ 1 REMARK -REVDAT 5 09-MAR-11 1UBQ 1 REMARK -REVDAT 4 24-FEB-09 1UBQ 1 VERSN -REVDAT 3 01-APR-03 1UBQ 1 JRNL -REVDAT 2 16-JUL-87 1UBQ 1 JRNL REMARK -REVDAT 1 16-APR-87 1UBQ 0 -JRNL AUTH S.VIJAY-KUMAR,C.E.BUGG,W.J.COOK -JRNL TITL STRUCTURE OF UBIQUITIN REFINED AT 1.8 A RESOLUTION. -JRNL REF J.MOL.BIOL. V. 194 531 1987 -JRNL REFN ISSN 0022-2836 -JRNL PMID 3041007 -JRNL DOI 10.1016/0022-2836(87)90679-6 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH S.VIJAY-KUMAR,C.E.BUGG,K.D.WILKINSON,R.D.VIERSTRA, -REMARK 1 AUTH 2 P.M.HATFIELD,W.J.COOK -REMARK 1 TITL COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF HUMAN, -REMARK 1 TITL 2 YEAST, AND OAT UBIQUITIN -REMARK 1 REF J.BIOL.CHEM. V. 262 6396 1987 -REMARK 1 REFN ISSN 0021-9258 -REMARK 1 REFERENCE 2 -REMARK 1 AUTH S.VIJAY-KUMAR,C.E.BUGG,K.D.WILKINSON,W.J.COOK -REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF UBIQUITIN AT 2.8 ANGSTROMS -REMARK 1 TITL 2 RESOLUTION -REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 82 3582 1985 -REMARK 1 REFN ISSN 0027-8424 -REMARK 1 REFERENCE 3 -REMARK 1 AUTH W.J.COOK,F.L.SUDDATH,C.E.BUGG,G.GOLDSTEIN -REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY INVESTIGATION OF -REMARK 1 TITL 2 UBIQUITIN, A NON-HISTONE CHROMOSOMAL PROTEIN -REMARK 1 REF J.MOL.BIOL. V. 130 353 1979 -REMARK 1 REFN ISSN 0022-2836 -REMARK 1 REFERENCE 4 -REMARK 1 AUTH D.H.SCHLESINGER,G.GOLDSTEIN -REMARK 1 TITL MOLECULAR CONSERVATION OF 74 AMINO ACID SEQUENCE OF -REMARK 1 TITL 2 UBIQUITIN BETWEEN CATTLE AND MAN -REMARK 1 REF NATURE V. 255 423 1975 -REMARK 1 REFN ISSN 0028-0836 -REMARK 2 -REMARK 2 RESOLUTION. 1.80 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : PROLSQ -REMARK 3 AUTHORS : KONNERT,HENDRICKSON -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL -REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL -REMARK 3 COMPLETENESS FOR RANGE (%) : NULL -REMARK 3 NUMBER OF REFLECTIONS : NULL -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 -REMARK 3 R VALUE (WORKING SET) : NULL -REMARK 3 FREE R VALUE : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : NULL -REMARK 3 -REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. -REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL -REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE (NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL -REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 602 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 0 -REMARK 3 SOLVENT ATOMS : 58 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM SIGMAA (A) : NULL -REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA -REMARK 3 BOND LENGTH (A) : 0.016 ; NULL -REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL -REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL -REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL -REMARK 3 -REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL -REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL -REMARK 3 -REMARK 3 NON-BONDED CONTACT RESTRAINTS. -REMARK 3 SINGLE TORSION (A) : NULL ; NULL -REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL -REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL -REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL -REMARK 3 -REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. -REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL -REMARK 3 PLANAR (DEGREES) : NULL ; NULL -REMARK 3 STAGGERED (DEGREES) : NULL ; NULL -REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1UBQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 100 THE DEPOSITION ID IS D_1000176905. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : NULL -REMARK 200 TEMPERATURE (KELVIN) : NULL -REMARK 200 PH : NULL -REMARK 200 NUMBER OF CRYSTALS USED : NULL -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : NULL -REMARK 200 RADIATION SOURCE : NULL -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL -REMARK 200 WAVELENGTH OR RANGE (A) : NULL -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : NULL -REMARK 200 DETECTOR MANUFACTURER : NULL -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL -REMARK 200 DATA SCALING SOFTWARE : NULL -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL -REMARK 200 RESOLUTION RANGE HIGH (A) : NULL -REMARK 200 RESOLUTION RANGE LOW (A) : NULL -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : NULL -REMARK 200 DATA REDUNDANCY : NULL -REMARK 200 R MERGE (I) : NULL -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : NULL -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL -REMARK 200 COMPLETENESS FOR SHELL (%) : NULL -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : NULL -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL -REMARK 200 SOFTWARE USED: NULL -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 32.94 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.83 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NULL -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.42000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 14.47500 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 21.38500 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 14.47500 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.42000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 21.38500 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC -REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 -REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A -REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 -REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE -REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. -REMARK 500 -REMARK 500 DISTANCE CUTOFF: -REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS -REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE -REMARK 500 OE2 GLU A 16 NH1 ARG A 72 1554 2.02 -REMARK 500 NZ LYS A 48 OXT GLY A 76 4467 2.16 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 LEU A 15 CA - CB - CG ANGL. DEV. = 14.0 DEGREES -REMARK 500 ARG A 54 CD - NE - CZ ANGL. DEV. = 12.4 DEGREES -REMARK 500 ARG A 54 NE - CZ - NH1 ANGL. DEV. = 5.5 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -DBREF 1UBQ A 1 76 UNP P62988 UBIQ_HUMAN 1 76 -SEQRES 1 A 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE -SEQRES 2 A 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL -SEQRES 3 A 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP -SEQRES 4 A 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP -SEQRES 5 A 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER -SEQRES 6 A 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY -FORMUL 2 HOH *58(H2 O) -HELIX 1 H1 ILE A 23 GLU A 34 1 12 -HELIX 2 H2 LEU A 56 TYR A 59 5 4 -SHEET 1 BET 5 GLY A 10 VAL A 17 0 -SHEET 2 BET 5 MET A 1 THR A 7 -1 -SHEET 3 BET 5 GLU A 64 ARG A 72 1 -SHEET 4 BET 5 GLN A 40 PHE A 45 -1 -SHEET 5 BET 5 LYS A 48 LEU A 50 -1 -CRYST1 50.840 42.770 28.950 90.00 90.00 90.00 P 21 21 21 4 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.019670 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.023381 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.034542 0.00000 -ATOM 1 N MET A 1 27.340 24.430 2.614 1.00 9.67 N -ATOM 2 CA MET A 1 26.266 25.413 2.842 1.00 10.38 C -ATOM 3 C MET A 1 26.913 26.639 3.531 1.00 9.62 C -ATOM 4 O MET A 1 27.886 26.463 4.263 1.00 9.62 O -ATOM 5 CB MET A 1 25.112 24.880 3.649 1.00 13.77 C -ATOM 6 CG MET A 1 25.353 24.860 5.134 1.00 16.29 C -ATOM 7 SD MET A 1 23.930 23.959 5.904 1.00 17.17 S -ATOM 8 CE MET A 1 24.447 23.984 7.620 1.00 16.11 C -ATOM 9 N GLN A 2 26.335 27.770 3.258 1.00 9.27 N -ATOM 10 CA GLN A 2 26.850 29.021 3.898 1.00 9.07 C -ATOM 11 C GLN A 2 26.100 29.253 5.202 1.00 8.72 C -ATOM 12 O GLN A 2 24.865 29.024 5.330 1.00 8.22 O -ATOM 13 CB GLN A 2 26.733 30.148 2.905 1.00 14.46 C -ATOM 14 CG GLN A 2 26.882 31.546 3.409 1.00 17.01 C -ATOM 15 CD GLN A 2 26.786 32.562 2.270 1.00 20.10 C -ATOM 16 OE1 GLN A 2 27.783 33.160 1.870 1.00 21.89 O -ATOM 17 NE2 GLN A 2 25.562 32.733 1.806 1.00 19.49 N -ATOM 18 N ILE A 3 26.849 29.656 6.217 1.00 5.87 N -ATOM 19 CA ILE A 3 26.235 30.058 7.497 1.00 5.07 C -ATOM 20 C ILE A 3 26.882 31.428 7.862 1.00 4.01 C -ATOM 21 O ILE A 3 27.906 31.711 7.264 1.00 4.61 O -ATOM 22 CB ILE A 3 26.344 29.050 8.645 1.00 6.55 C -ATOM 23 CG1 ILE A 3 27.810 28.748 8.999 1.00 4.72 C -ATOM 24 CG2 ILE A 3 25.491 27.771 8.287 1.00 5.58 C -ATOM 25 CD1 ILE A 3 27.967 28.087 10.417 1.00 10.83 C -ATOM 26 N PHE A 4 26.214 32.097 8.771 1.00 4.55 N -ATOM 27 CA PHE A 4 26.772 33.436 9.197 1.00 4.68 C -ATOM 28 C PHE A 4 27.151 33.362 10.650 1.00 5.30 C -ATOM 29 O PHE A 4 26.350 32.778 11.395 1.00 5.58 O -ATOM 30 CB PHE A 4 25.695 34.498 8.946 1.00 4.83 C -ATOM 31 CG PHE A 4 25.288 34.609 7.499 1.00 7.97 C -ATOM 32 CD1 PHE A 4 24.147 33.966 7.038 1.00 6.69 C -ATOM 33 CD2 PHE A 4 26.136 35.346 6.640 1.00 8.34 C -ATOM 34 CE1 PHE A 4 23.812 34.031 5.677 1.00 9.10 C -ATOM 35 CE2 PHE A 4 25.810 35.392 5.267 1.00 10.61 C -ATOM 36 CZ PHE A 4 24.620 34.778 4.853 1.00 8.90 C -ATOM 37 N VAL A 5 28.260 33.943 11.096 1.00 4.44 N -ATOM 38 CA VAL A 5 28.605 33.965 12.503 1.00 3.87 C -ATOM 39 C VAL A 5 28.638 35.461 12.900 1.00 4.93 C -ATOM 40 O VAL A 5 29.522 36.103 12.320 1.00 6.84 O -ATOM 41 CB VAL A 5 29.963 33.317 12.814 1.00 2.99 C -ATOM 42 CG1 VAL A 5 30.211 33.394 14.304 1.00 5.28 C -ATOM 43 CG2 VAL A 5 29.957 31.838 12.352 1.00 9.13 C -ATOM 44 N LYS A 6 27.751 35.867 13.740 1.00 6.04 N -ATOM 45 CA LYS A 6 27.691 37.315 14.143 1.00 6.12 C -ATOM 46 C LYS A 6 28.469 37.475 15.420 1.00 6.57 C -ATOM 47 O LYS A 6 28.213 36.753 16.411 1.00 5.76 O -ATOM 48 CB LYS A 6 26.219 37.684 14.307 1.00 7.45 C -ATOM 49 CG LYS A 6 25.884 39.139 14.615 1.00 11.12 C -ATOM 50 CD LYS A 6 24.348 39.296 14.642 1.00 14.54 C -ATOM 51 CE LYS A 6 23.865 40.723 14.749 1.00 18.84 C -ATOM 52 NZ LYS A 6 22.375 40.720 14.907 1.00 20.55 N -ATOM 53 N THR A 7 29.426 38.430 15.446 1.00 7.41 N -ATOM 54 CA THR A 7 30.225 38.643 16.662 1.00 7.48 C -ATOM 55 C THR A 7 29.664 39.839 17.434 1.00 8.75 C -ATOM 56 O THR A 7 28.850 40.565 16.859 1.00 8.58 O -ATOM 57 CB THR A 7 31.744 38.879 16.299 1.00 9.61 C -ATOM 58 OG1 THR A 7 31.737 40.257 15.824 1.00 11.78 O -ATOM 59 CG2 THR A 7 32.260 37.969 15.171 1.00 9.17 C -ATOM 60 N LEU A 8 30.132 40.069 18.642 1.00 9.84 N -ATOM 61 CA LEU A 8 29.607 41.180 19.467 1.00 14.15 C -ATOM 62 C LEU A 8 30.075 42.538 18.984 1.00 17.37 C -ATOM 63 O LEU A 8 29.586 43.570 19.483 1.00 17.01 O -ATOM 64 CB LEU A 8 29.919 40.890 20.938 1.00 16.63 C -ATOM 65 CG LEU A 8 29.183 39.722 21.581 1.00 18.88 C -ATOM 66 CD1 LEU A 8 29.308 39.750 23.095 1.00 19.31 C -ATOM 67 CD2 LEU A 8 27.700 39.721 21.228 1.00 18.59 C -ATOM 68 N THR A 9 30.991 42.571 17.998 1.00 18.33 N -ATOM 69 CA THR A 9 31.422 43.940 17.553 1.00 19.24 C -ATOM 70 C THR A 9 30.755 44.351 16.277 1.00 19.48 C -ATOM 71 O THR A 9 31.207 45.268 15.566 1.00 23.14 O -ATOM 72 CB THR A 9 32.979 43.918 17.445 1.00 18.97 C -ATOM 73 OG1 THR A 9 33.174 43.067 16.265 1.00 20.24 O -ATOM 74 CG2 THR A 9 33.657 43.319 18.672 1.00 19.70 C -ATOM 75 N GLY A 10 29.721 43.673 15.885 1.00 19.43 N -ATOM 76 CA GLY A 10 28.978 43.960 14.678 1.00 18.74 C -ATOM 77 C GLY A 10 29.604 43.507 13.393 1.00 17.62 C -ATOM 78 O GLY A 10 29.219 43.981 12.301 1.00 19.74 O -ATOM 79 N LYS A 11 30.563 42.623 13.495 1.00 13.56 N -ATOM 80 CA LYS A 11 31.191 42.012 12.331 1.00 11.91 C -ATOM 81 C LYS A 11 30.459 40.666 12.130 1.00 10.18 C -ATOM 82 O LYS A 11 30.253 39.991 13.133 1.00 9.10 O -ATOM 83 CB LYS A 11 32.672 41.717 12.505 1.00 13.43 C -ATOM 84 CG LYS A 11 33.280 41.086 11.227 1.00 16.69 C -ATOM 85 CD LYS A 11 34.762 40.799 11.470 1.00 17.92 C -ATOM 86 CE LYS A 11 35.614 40.847 10.240 1.00 20.81 C -ATOM 87 NZ LYS A 11 35.100 40.073 9.101 1.00 21.93 N -ATOM 88 N THR A 12 30.163 40.338 10.886 1.00 9.63 N -ATOM 89 CA THR A 12 29.542 39.020 10.653 1.00 9.85 C -ATOM 90 C THR A 12 30.494 38.261 9.729 1.00 11.66 C -ATOM 91 O THR A 12 30.849 38.850 8.706 1.00 12.33 O -ATOM 92 CB THR A 12 28.113 39.049 10.015 1.00 10.85 C -ATOM 93 OG1 THR A 12 27.280 39.722 10.996 1.00 10.91 O -ATOM 94 CG2 THR A 12 27.588 37.635 9.715 1.00 9.63 C -ATOM 95 N ILE A 13 30.795 37.015 10.095 1.00 10.42 N -ATOM 96 CA ILE A 13 31.720 36.289 9.176 1.00 11.84 C -ATOM 97 C ILE A 13 30.955 35.211 8.459 1.00 10.55 C -ATOM 98 O ILE A 13 30.025 34.618 9.040 1.00 11.92 O -ATOM 99 CB ILE A 13 32.995 35.883 9.934 1.00 14.86 C -ATOM 100 CG1 ILE A 13 33.306 34.381 9.840 1.00 14.87 C -ATOM 101 CG2 ILE A 13 33.109 36.381 11.435 1.00 17.08 C -ATOM 102 CD1 ILE A 13 34.535 34.028 10.720 1.00 16.46 C -ATOM 103 N THR A 14 31.244 34.986 7.197 1.00 9.39 N -ATOM 104 CA THR A 14 30.505 33.884 6.512 1.00 9.63 C -ATOM 105 C THR A 14 31.409 32.680 6.446 1.00 11.20 C -ATOM 106 O THR A 14 32.619 32.812 6.125 1.00 11.63 O -ATOM 107 CB THR A 14 30.091 34.393 5.078 1.00 10.38 C -ATOM 108 OG1 THR A 14 31.440 34.513 4.487 1.00 16.30 O -ATOM 109 CG2 THR A 14 29.420 35.756 5.119 1.00 11.66 C -ATOM 110 N LEU A 15 30.884 31.485 6.666 1.00 8.29 N -ATOM 111 CA LEU A 15 31.677 30.275 6.639 1.00 9.03 C -ATOM 112 C LEU A 15 31.022 29.288 5.665 1.00 8.59 C -ATOM 113 O LEU A 15 29.809 29.395 5.545 1.00 7.79 O -ATOM 114 CB LEU A 15 31.562 29.686 8.045 1.00 11.08 C -ATOM 115 CG LEU A 15 32.631 29.444 9.060 1.00 15.79 C -ATOM 116 CD1 LEU A 15 33.814 30.390 9.030 1.00 15.88 C -ATOM 117 CD2 LEU A 15 31.945 29.449 10.436 1.00 15.27 C -ATOM 118 N GLU A 16 31.834 28.412 5.125 1.00 11.04 N -ATOM 119 CA GLU A 16 31.220 27.341 4.275 1.00 11.50 C -ATOM 120 C GLU A 16 31.440 26.079 5.080 1.00 10.13 C -ATOM 121 O GLU A 16 32.576 25.802 5.461 1.00 9.83 O -ATOM 122 CB GLU A 16 31.827 27.262 2.894 1.00 17.22 C -ATOM 123 CG GLU A 16 31.363 28.410 1.962 1.00 23.33 C -ATOM 124 CD GLU A 16 31.671 28.291 0.498 1.00 26.99 C -ATOM 125 OE1 GLU A 16 30.869 28.621 -0.366 1.00 28.86 O -ATOM 126 OE2 GLU A 16 32.835 27.861 0.278 1.00 28.90 O -ATOM 127 N VAL A 17 30.310 25.458 5.384 1.00 8.99 N -ATOM 128 CA VAL A 17 30.288 24.245 6.193 1.00 8.85 C -ATOM 129 C VAL A 17 29.279 23.227 5.641 1.00 8.04 C -ATOM 130 O VAL A 17 28.478 23.522 4.725 1.00 8.99 O -ATOM 131 CB VAL A 17 29.903 24.590 7.665 1.00 9.78 C -ATOM 132 CG1 VAL A 17 30.862 25.496 8.389 1.00 12.05 C -ATOM 133 CG2 VAL A 17 28.476 25.135 7.705 1.00 10.54 C -ATOM 134 N GLU A 18 29.380 22.057 6.232 1.00 7.29 N -ATOM 135 CA GLU A 18 28.468 20.940 5.980 1.00 7.08 C -ATOM 136 C GLU A 18 27.819 20.609 7.316 1.00 6.45 C -ATOM 137 O GLU A 18 28.449 20.674 8.360 1.00 5.28 O -ATOM 138 CB GLU A 18 29.213 19.697 5.506 1.00 10.28 C -ATOM 139 CG GLU A 18 29.728 19.755 4.060 1.00 12.65 C -ATOM 140 CD GLU A 18 28.754 20.061 2.978 1.00 14.15 C -ATOM 141 OE1 GLU A 18 27.546 19.992 2.985 1.00 14.33 O -ATOM 142 OE2 GLU A 18 29.336 20.423 1.904 1.00 18.17 O -ATOM 143 N PRO A 19 26.559 20.220 7.288 1.00 7.24 N -ATOM 144 CA PRO A 19 25.829 19.825 8.494 1.00 7.07 C -ATOM 145 C PRO A 19 26.541 18.732 9.251 1.00 6.65 C -ATOM 146 O PRO A 19 26.333 18.536 10.457 1.00 6.37 O -ATOM 147 CB PRO A 19 24.469 19.332 7.952 1.00 7.61 C -ATOM 148 CG PRO A 19 24.299 20.134 6.704 1.00 8.16 C -ATOM 149 CD PRO A 19 25.714 20.108 6.073 1.00 7.49 C -ATOM 150 N SER A 20 27.361 17.959 8.559 1.00 6.80 N -ATOM 151 CA SER A 20 28.054 16.835 9.210 1.00 6.28 C -ATOM 152 C SER A 20 29.258 17.318 9.984 1.00 8.45 C -ATOM 153 O SER A 20 29.930 16.477 10.606 1.00 7.26 O -ATOM 154 CB SER A 20 28.523 15.820 8.182 1.00 8.57 C -ATOM 155 OG SER A 20 28.946 16.445 6.967 1.00 11.13 O -ATOM 156 N ASP A 21 29.599 18.599 9.828 1.00 7.50 N -ATOM 157 CA ASP A 21 30.796 19.083 10.566 1.00 7.70 C -ATOM 158 C ASP A 21 30.491 19.162 12.040 1.00 7.08 C -ATOM 159 O ASP A 21 29.367 19.523 12.441 1.00 8.11 O -ATOM 160 CB ASP A 21 31.155 20.515 10.048 1.00 11.00 C -ATOM 161 CG ASP A 21 31.923 20.436 8.755 1.00 15.32 C -ATOM 162 OD1 ASP A 21 32.493 19.374 8.456 1.00 18.03 O -ATOM 163 OD2 ASP A 21 31.838 21.402 7.968 1.00 14.36 O -ATOM 164 N THR A 22 31.510 18.936 12.852 1.00 5.37 N -ATOM 165 CA THR A 22 31.398 19.064 14.286 1.00 6.01 C -ATOM 166 C THR A 22 31.593 20.553 14.655 1.00 8.01 C -ATOM 167 O THR A 22 32.159 21.311 13.861 1.00 8.11 O -ATOM 168 CB THR A 22 32.492 18.193 14.995 1.00 8.92 C -ATOM 169 OG1 THR A 22 33.778 18.739 14.516 1.00 10.22 O -ATOM 170 CG2 THR A 22 32.352 16.700 14.630 1.00 9.65 C -ATOM 171 N ILE A 23 31.113 20.863 15.860 1.00 8.32 N -ATOM 172 CA ILE A 23 31.288 22.201 16.417 1.00 9.92 C -ATOM 173 C ILE A 23 32.776 22.519 16.577 1.00 10.01 C -ATOM 174 O ILE A 23 33.233 23.659 16.384 1.00 8.71 O -ATOM 175 CB ILE A 23 30.520 22.300 17.764 1.00 10.78 C -ATOM 176 CG1 ILE A 23 29.006 22.043 17.442 1.00 11.38 C -ATOM 177 CG2 ILE A 23 30.832 23.699 18.358 1.00 10.90 C -ATOM 178 CD1 ILE A 23 28.407 22.948 16.366 1.00 12.30 C -ATOM 179 N GLU A 24 33.548 21.526 16.950 1.00 9.54 N -ATOM 180 CA GLU A 24 35.031 21.722 17.069 1.00 11.81 C -ATOM 181 C GLU A 24 35.615 22.190 15.759 1.00 11.14 C -ATOM 182 O GLU A 24 36.532 23.046 15.724 1.00 10.62 O -ATOM 183 CB GLU A 24 35.667 20.383 17.447 1.00 19.24 C -ATOM 184 CG GLU A 24 37.128 20.293 17.872 1.00 27.76 C -ATOM 185 CD GLU A 24 37.561 18.851 18.082 1.00 32.92 C -ATOM 186 OE1 GLU A 24 37.758 18.024 17.195 1.00 34.80 O -ATOM 187 OE2 GLU A 24 37.628 18.599 19.313 1.00 36.51 O -ATOM 188 N ASN A 25 35.139 21.624 14.662 1.00 9.43 N -ATOM 189 CA ASN A 25 35.590 21.945 13.302 1.00 10.96 C -ATOM 190 C ASN A 25 35.238 23.382 12.920 1.00 9.68 C -ATOM 191 O ASN A 25 36.066 24.109 12.333 1.00 9.33 O -ATOM 192 CB ASN A 25 35.064 20.957 12.255 1.00 16.78 C -ATOM 193 CG ASN A 25 35.541 21.418 10.871 1.00 22.31 C -ATOM 194 OD1 ASN A 25 36.772 21.623 10.676 1.00 25.66 O -ATOM 195 ND2 ASN A 25 34.628 21.595 9.920 1.00 24.70 N -ATOM 196 N VAL A 26 34.007 23.745 13.250 1.00 6.52 N -ATOM 197 CA VAL A 26 33.533 25.097 12.978 1.00 5.53 C -ATOM 198 C VAL A 26 34.441 26.099 13.684 1.00 4.42 C -ATOM 199 O VAL A 26 34.883 27.090 13.093 1.00 3.40 O -ATOM 200 CB VAL A 26 32.060 25.257 13.364 1.00 3.86 C -ATOM 201 CG1 VAL A 26 31.684 26.749 13.342 1.00 7.25 C -ATOM 202 CG2 VAL A 26 31.152 24.421 12.477 1.00 8.12 C -ATOM 203 N LYS A 27 34.734 25.822 14.949 1.00 2.64 N -ATOM 204 CA LYS A 27 35.596 26.715 15.736 1.00 4.14 C -ATOM 205 C LYS A 27 36.975 26.826 15.107 1.00 5.58 C -ATOM 206 O LYS A 27 37.579 27.926 15.159 1.00 4.11 O -ATOM 207 CB LYS A 27 35.715 26.203 17.172 1.00 3.97 C -ATOM 208 CG LYS A 27 34.343 26.445 17.898 1.00 7.45 C -ATOM 209 CD LYS A 27 34.509 26.077 19.360 1.00 9.02 C -ATOM 210 CE LYS A 27 33.206 26.311 20.122 1.00 12.90 C -ATOM 211 NZ LYS A 27 33.455 25.910 21.546 1.00 15.47 N -ATOM 212 N ALA A 28 37.499 25.743 14.571 1.00 6.61 N -ATOM 213 CA ALA A 28 38.794 25.761 13.880 1.00 7.74 C -ATOM 214 C ALA A 28 38.728 26.591 12.611 1.00 9.17 C -ATOM 215 O ALA A 28 39.704 27.346 12.277 1.00 11.45 O -ATOM 216 CB ALA A 28 39.285 24.336 13.566 1.00 7.68 C -ATOM 217 N LYS A 29 37.633 26.543 11.867 1.00 8.96 N -ATOM 218 CA LYS A 29 37.471 27.391 10.668 1.00 7.90 C -ATOM 219 C LYS A 29 37.441 28.882 11.052 1.00 6.92 C -ATOM 220 O LYS A 29 38.020 29.772 10.382 1.00 6.87 O -ATOM 221 CB LYS A 29 36.193 27.058 9.911 1.00 10.28 C -ATOM 222 CG LYS A 29 36.153 25.620 9.409 1.00 14.94 C -ATOM 223 CD LYS A 29 34.758 25.280 8.900 1.00 19.69 C -ATOM 224 CE LYS A 29 34.793 24.264 7.767 1.00 22.63 C -ATOM 225 NZ LYS A 29 34.914 24.944 6.441 1.00 24.98 N -ATOM 226 N ILE A 30 36.811 29.170 12.192 1.00 4.57 N -ATOM 227 CA ILE A 30 36.731 30.570 12.645 1.00 5.58 C -ATOM 228 C ILE A 30 38.148 30.981 13.069 1.00 7.26 C -ATOM 229 O ILE A 30 38.544 32.150 12.856 1.00 9.46 O -ATOM 230 CB ILE A 30 35.708 30.776 13.806 1.00 5.36 C -ATOM 231 CG1 ILE A 30 34.228 30.630 13.319 1.00 2.94 C -ATOM 232 CG2 ILE A 30 35.874 32.138 14.512 1.00 2.78 C -ATOM 233 CD1 ILE A 30 33.284 30.504 14.552 1.00 2.00 C -ATOM 234 N GLN A 31 38.883 30.110 13.713 1.00 7.06 N -ATOM 235 CA GLN A 31 40.269 30.508 14.115 1.00 8.67 C -ATOM 236 C GLN A 31 41.092 30.808 12.851 1.00 10.90 C -ATOM 237 O GLN A 31 41.828 31.808 12.681 1.00 9.63 O -ATOM 238 CB GLN A 31 40.996 29.399 14.865 1.00 9.12 C -ATOM 239 CG GLN A 31 42.445 29.848 15.182 1.00 10.76 C -ATOM 240 CD GLN A 31 43.090 28.828 16.095 1.00 13.78 C -ATOM 241 OE1 GLN A 31 42.770 27.655 15.906 1.00 14.48 O -ATOM 242 NE2 GLN A 31 43.898 29.252 17.050 1.00 14.76 N -ATOM 243 N ASP A 32 41.001 29.878 11.931 1.00 10.93 N -ATOM 244 CA ASP A 32 41.718 30.022 10.643 1.00 14.01 C -ATOM 245 C ASP A 32 41.399 31.338 9.967 1.00 14.04 C -ATOM 246 O ASP A 32 42.260 32.036 9.381 1.00 13.39 O -ATOM 247 CB ASP A 32 41.398 28.780 9.810 1.00 18.01 C -ATOM 248 CG ASP A 32 42.626 28.557 8.928 1.00 24.33 C -ATOM 249 OD1 ASP A 32 43.666 28.262 9.539 1.00 26.29 O -ATOM 250 OD2 ASP A 32 42.430 28.812 7.728 1.00 25.17 O -ATOM 251 N LYS A 33 40.117 31.750 9.988 1.00 14.22 N -ATOM 252 CA LYS A 33 39.808 32.994 9.233 1.00 14.00 C -ATOM 253 C LYS A 33 39.837 34.271 9.995 1.00 12.37 C -ATOM 254 O LYS A 33 40.164 35.323 9.345 1.00 12.17 O -ATOM 255 CB LYS A 33 38.615 32.801 8.320 1.00 18.62 C -ATOM 256 CG LYS A 33 37.220 32.822 8.827 1.00 24.00 C -ATOM 257 CD LYS A 33 36.351 33.613 7.838 1.00 27.61 C -ATOM 258 CE LYS A 33 36.322 32.944 6.477 1.00 27.64 C -ATOM 259 NZ LYS A 33 35.768 33.945 5.489 1.00 30.06 N -ATOM 260 N GLU A 34 39.655 34.335 11.285 1.00 10.11 N -ATOM 261 CA GLU A 34 39.676 35.547 12.072 1.00 10.07 C -ATOM 262 C GLU A 34 40.675 35.527 13.200 1.00 9.32 C -ATOM 263 O GLU A 34 40.814 36.528 13.911 1.00 11.61 O -ATOM 264 CB GLU A 34 38.290 35.814 12.698 1.00 14.77 C -ATOM 265 CG GLU A 34 37.156 35.985 11.688 1.00 18.75 C -ATOM 266 CD GLU A 34 37.192 37.361 11.033 1.00 22.28 C -ATOM 267 OE1 GLU A 34 37.519 38.360 11.645 1.00 21.95 O -ATOM 268 OE2 GLU A 34 36.861 37.320 9.822 1.00 25.19 O -ATOM 269 N GLY A 35 41.317 34.393 13.432 1.00 7.22 N -ATOM 270 CA GLY A 35 42.345 34.269 14.431 1.00 6.29 C -ATOM 271 C GLY A 35 41.949 34.076 15.842 1.00 6.93 C -ATOM 272 O GLY A 35 42.829 34.000 16.739 1.00 7.41 O -ATOM 273 N ILE A 36 40.642 33.916 16.112 1.00 5.86 N -ATOM 274 CA ILE A 36 40.226 33.716 17.509 1.00 6.07 C -ATOM 275 C ILE A 36 40.449 32.278 17.945 1.00 6.36 C -ATOM 276 O ILE A 36 39.936 31.336 17.315 1.00 6.18 O -ATOM 277 CB ILE A 36 38.693 34.106 17.595 1.00 7.47 C -ATOM 278 CG1 ILE A 36 38.471 35.546 17.045 1.00 8.52 C -ATOM 279 CG2 ILE A 36 38.146 33.932 19.027 1.00 7.36 C -ATOM 280 CD1 ILE A 36 36.958 35.746 16.680 1.00 9.49 C -ATOM 281 N PRO A 37 41.189 32.085 19.031 1.00 8.65 N -ATOM 282 CA PRO A 37 41.461 30.751 19.594 1.00 9.18 C -ATOM 283 C PRO A 37 40.168 30.026 19.918 1.00 9.85 C -ATOM 284 O PRO A 37 39.264 30.662 20.521 1.00 8.51 O -ATOM 285 CB PRO A 37 42.195 31.142 20.913 1.00 11.42 C -ATOM 286 CG PRO A 37 42.904 32.414 20.553 1.00 9.27 C -ATOM 287 CD PRO A 37 41.822 33.188 19.813 1.00 8.33 C -ATOM 288 N PRO A 38 40.059 28.758 19.607 1.00 8.71 N -ATOM 289 CA PRO A 38 38.817 28.020 19.889 1.00 9.08 C -ATOM 290 C PRO A 38 38.421 28.048 21.341 1.00 9.28 C -ATOM 291 O PRO A 38 37.213 28.036 21.704 1.00 6.50 O -ATOM 292 CB PRO A 38 39.090 26.629 19.325 1.00 10.31 C -ATOM 293 CG PRO A 38 40.082 26.904 18.198 1.00 10.81 C -ATOM 294 CD PRO A 38 41.035 27.909 18.879 1.00 12.00 C -ATOM 295 N ASP A 39 39.374 28.090 22.240 1.00 11.20 N -ATOM 296 CA ASP A 39 39.063 28.063 23.695 1.00 14.96 C -ATOM 297 C ASP A 39 38.365 29.335 24.159 1.00 13.99 C -ATOM 298 O ASP A 39 37.684 29.390 25.221 1.00 13.75 O -ATOM 299 CB ASP A 39 40.340 27.692 24.468 1.00 24.16 C -ATOM 300 CG ASP A 39 40.559 28.585 25.675 1.00 31.06 C -ATOM 301 OD1 ASP A 39 40.716 29.809 25.456 1.00 35.55 O -ATOM 302 OD2 ASP A 39 40.549 28.090 26.840 1.00 34.22 O -ATOM 303 N GLN A 40 38.419 30.373 23.341 1.00 11.60 N -ATOM 304 CA GLN A 40 37.738 31.637 23.712 1.00 10.76 C -ATOM 305 C GLN A 40 36.334 31.742 23.087 1.00 8.01 C -ATOM 306 O GLN A 40 35.574 32.618 23.483 1.00 8.96 O -ATOM 307 CB GLN A 40 38.528 32.854 23.182 1.00 11.14 C -ATOM 308 CG GLN A 40 39.919 32.854 23.840 1.00 14.85 C -ATOM 309 CD GLN A 40 40.760 34.036 23.394 1.00 16.11 C -ATOM 310 OE1 GLN A 40 41.975 34.008 23.624 1.00 20.52 O -ATOM 311 NE2 GLN A 40 40.140 35.007 22.775 1.00 18.16 N -ATOM 312 N GLN A 41 36.000 30.860 22.172 1.00 6.52 N -ATOM 313 CA GLN A 41 34.738 30.875 21.473 1.00 3.87 C -ATOM 314 C GLN A 41 33.589 30.189 22.181 1.00 4.79 C -ATOM 315 O GLN A 41 33.580 29.009 22.499 1.00 6.34 O -ATOM 316 CB GLN A 41 34.876 30.237 20.066 1.00 4.20 C -ATOM 317 CG GLN A 41 36.012 30.860 19.221 1.00 3.20 C -ATOM 318 CD GLN A 41 36.083 30.194 17.875 1.00 4.89 C -ATOM 319 OE1 GLN A 41 35.048 29.702 17.393 1.00 5.21 O -ATOM 320 NE2 GLN A 41 37.228 30.126 17.233 1.00 7.13 N -ATOM 321 N ARG A 42 32.478 30.917 22.269 1.00 5.73 N -ATOM 322 CA ARG A 42 31.200 30.329 22.780 1.00 6.97 C -ATOM 323 C ARG A 42 30.210 30.509 21.650 1.00 7.15 C -ATOM 324 O ARG A 42 29.978 31.726 21.269 1.00 7.33 O -ATOM 325 CB ARG A 42 30.847 30.931 24.118 1.00 13.23 C -ATOM 326 CG ARG A 42 29.412 30.796 24.598 1.00 21.27 C -ATOM 327 CD ARG A 42 29.271 31.314 26.016 1.00 26.14 C -ATOM 328 NE ARG A 42 27.875 31.317 26.443 1.00 32.26 N -ATOM 329 CZ ARG A 42 27.132 32.423 26.574 1.00 34.32 C -ATOM 330 NH1 ARG A 42 27.630 33.656 26.461 1.00 35.30 N -ATOM 331 NH2 ARG A 42 25.810 32.299 26.732 1.00 36.39 N -ATOM 332 N LEU A 43 29.694 29.436 21.054 1.00 4.65 N -ATOM 333 CA LEU A 43 28.762 29.573 19.906 1.00 3.51 C -ATOM 334 C LEU A 43 27.331 29.317 20.364 1.00 5.56 C -ATOM 335 O LEU A 43 27.101 28.346 21.097 1.00 4.19 O -ATOM 336 CB LEU A 43 29.151 28.655 18.755 1.00 3.74 C -ATOM 337 CG LEU A 43 30.416 28.912 17.980 1.00 6.32 C -ATOM 338 CD1 LEU A 43 30.738 27.693 17.122 1.00 9.55 C -ATOM 339 CD2 LEU A 43 30.205 30.168 17.129 1.00 6.41 C -ATOM 340 N ILE A 44 26.436 30.232 20.004 1.00 4.58 N -ATOM 341 CA ILE A 44 25.034 30.170 20.401 1.00 5.55 C -ATOM 342 C ILE A 44 24.101 30.149 19.196 1.00 5.46 C -ATOM 343 O ILE A 44 24.196 30.948 18.287 1.00 6.04 O -ATOM 344 CB ILE A 44 24.639 31.426 21.286 1.00 6.80 C -ATOM 345 CG1 ILE A 44 25.646 31.670 22.421 1.00 10.31 C -ATOM 346 CG2 ILE A 44 23.181 31.309 21.824 1.00 7.39 C -ATOM 347 CD1 ILE A 44 25.778 30.436 23.356 1.00 13.90 C -ATOM 348 N PHE A 45 23.141 29.187 19.241 1.00 6.75 N -ATOM 349 CA PHE A 45 22.126 29.062 18.183 1.00 4.70 C -ATOM 350 C PHE A 45 20.835 28.629 18.904 1.00 6.34 C -ATOM 351 O PHE A 45 20.821 27.734 19.749 1.00 5.45 O -ATOM 352 CB PHE A 45 22.494 28.057 17.109 1.00 5.51 C -ATOM 353 CG PHE A 45 21.447 27.869 16.026 1.00 5.98 C -ATOM 354 CD1 PHE A 45 21.325 28.813 15.005 1.00 6.86 C -ATOM 355 CD2 PHE A 45 20.638 26.735 16.053 1.00 5.87 C -ATOM 356 CE1 PHE A 45 20.369 28.648 14.001 1.00 6.68 C -ATOM 357 CE2 PHE A 45 19.677 26.539 15.051 1.00 6.64 C -ATOM 358 CZ PHE A 45 19.593 27.465 14.021 1.00 6.84 C -ATOM 359 N ALA A 46 19.810 29.378 18.578 1.00 6.53 N -ATOM 360 CA ALA A 46 18.443 29.143 19.083 1.00 7.15 C -ATOM 361 C ALA A 46 18.453 28.941 20.591 1.00 9.00 C -ATOM 362 O ALA A 46 17.860 27.994 21.128 1.00 11.15 O -ATOM 363 CB ALA A 46 17.864 27.977 18.346 1.00 8.99 C -ATOM 364 N GLY A 47 19.172 29.808 21.243 1.00 9.35 N -ATOM 365 CA GLY A 47 19.399 29.894 22.655 1.00 11.68 C -ATOM 366 C GLY A 47 20.083 28.729 23.321 1.00 11.14 C -ATOM 367 O GLY A 47 19.991 28.584 24.561 1.00 13.93 O -ATOM 368 N LYS A 48 20.801 27.931 22.578 1.00 10.47 N -ATOM 369 CA LYS A 48 21.550 26.796 23.133 1.00 8.82 C -ATOM 370 C LYS A 48 23.046 27.087 22.913 1.00 7.68 C -ATOM 371 O LYS A 48 23.383 27.627 21.870 1.00 6.47 O -ATOM 372 CB LYS A 48 21.242 25.519 22.391 1.00 9.74 C -ATOM 373 CG LYS A 48 19.762 25.077 22.455 1.00 14.14 C -ATOM 374 CD LYS A 48 19.634 23.885 21.531 1.00 16.32 C -ATOM 375 CE LYS A 48 18.791 24.221 20.313 1.00 20.04 C -ATOM 376 NZ LYS A 48 17.440 24.655 20.827 1.00 23.92 N -ATOM 377 N GLN A 49 23.880 26.727 23.851 1.00 8.89 N -ATOM 378 CA GLN A 49 25.349 26.872 23.643 1.00 7.18 C -ATOM 379 C GLN A 49 25.743 25.586 22.922 1.00 8.23 C -ATOM 380 O GLN A 49 25.325 24.489 23.378 1.00 9.70 O -ATOM 381 CB GLN A 49 26.070 27.025 24.960 1.00 11.67 C -ATOM 382 CG GLN A 49 27.553 27.356 24.695 1.00 15.82 C -ATOM 383 CD GLN A 49 28.262 27.576 26.020 1.00 20.21 C -ATOM 384 OE1 GLN A 49 29.189 26.840 26.335 1.00 23.23 O -ATOM 385 NE2 GLN A 49 27.777 28.585 26.739 1.00 20.67 N -ATOM 386 N LEU A 50 26.465 25.689 21.833 1.00 6.51 N -ATOM 387 CA LEU A 50 26.826 24.521 21.012 1.00 7.41 C -ATOM 388 C LEU A 50 27.994 23.781 21.643 1.00 8.27 C -ATOM 389 O LEU A 50 28.904 24.444 22.098 1.00 8.34 O -ATOM 390 CB LEU A 50 27.043 24.992 19.571 1.00 7.13 C -ATOM 391 CG LEU A 50 25.931 25.844 18.959 1.00 7.53 C -ATOM 392 CD1 LEU A 50 26.203 26.083 17.471 1.00 8.14 C -ATOM 393 CD2 LEU A 50 24.577 25.190 19.079 1.00 9.11 C -ATOM 394 N GLU A 51 27.942 22.448 21.648 1.00 9.43 N -ATOM 395 CA GLU A 51 29.015 21.657 22.288 1.00 11.90 C -ATOM 396 C GLU A 51 29.942 21.106 21.240 1.00 11.49 C -ATOM 397 O GLU A 51 29.470 20.677 20.190 1.00 9.88 O -ATOM 398 CB GLU A 51 28.348 20.540 23.066 1.00 16.56 C -ATOM 399 CG GLU A 51 29.247 19.456 23.705 1.00 26.06 C -ATOM 400 CD GLU A 51 28.722 19.047 25.066 1.00 29.86 C -ATOM 401 OE1 GLU A 51 29.139 18.132 25.746 1.00 32.13 O -ATOM 402 OE2 GLU A 51 27.777 19.842 25.367 1.00 33.44 O -ATOM 403 N ASP A 52 31.233 21.090 21.459 1.00 12.71 N -ATOM 404 CA ASP A 52 32.262 20.670 20.514 1.00 16.56 C -ATOM 405 C ASP A 52 32.128 19.364 19.750 1.00 15.83 C -ATOM 406 O ASP A 52 32.546 19.317 18.558 1.00 17.21 O -ATOM 407 CB ASP A 52 33.638 20.716 21.242 1.00 21.05 C -ATOM 408 CG ASP A 52 34.174 22.129 21.354 1.00 25.12 C -ATOM 409 OD1 ASP A 52 35.252 22.322 21.958 1.00 28.37 O -ATOM 410 OD2 ASP A 52 33.544 23.086 20.883 1.00 25.82 O -ATOM 411 N GLY A 53 31.697 18.311 20.406 1.00 15.00 N -ATOM 412 CA GLY A 53 31.568 16.962 19.825 1.00 11.77 C -ATOM 413 C GLY A 53 30.320 16.698 19.051 1.00 11.10 C -ATOM 414 O GLY A 53 30.198 15.657 18.366 1.00 11.25 O -ATOM 415 N ARG A 54 29.340 17.594 19.076 1.00 8.53 N -ATOM 416 CA ARG A 54 28.108 17.439 18.276 1.00 9.05 C -ATOM 417 C ARG A 54 28.375 17.999 16.887 1.00 8.96 C -ATOM 418 O ARG A 54 29.326 18.786 16.690 1.00 11.60 O -ATOM 419 CB ARG A 54 26.926 18.191 18.892 1.00 7.97 C -ATOM 420 CG ARG A 54 26.621 17.799 20.352 1.00 9.62 C -ATOM 421 CD ARG A 54 26.010 16.370 20.280 1.00 12.20 C -ATOM 422 NE ARG A 54 26.975 15.521 20.942 1.00 18.23 N -ATOM 423 CZ ARG A 54 27.603 14.423 20.655 1.00 22.08 C -ATOM 424 NH1 ARG A 54 27.479 13.733 19.537 1.00 23.38 N -ATOM 425 NH2 ARG A 54 28.519 13.967 21.550 1.00 25.50 N -ATOM 426 N THR A 55 27.510 17.689 15.954 1.00 9.05 N -ATOM 427 CA THR A 55 27.574 18.192 14.563 1.00 9.03 C -ATOM 428 C THR A 55 26.482 19.280 14.432 1.00 8.15 C -ATOM 429 O THR A 55 25.609 19.388 15.287 1.00 5.91 O -ATOM 430 CB THR A 55 27.299 17.055 13.533 1.00 11.15 C -ATOM 431 OG1 THR A 55 25.925 16.611 13.913 1.00 11.95 O -ATOM 432 CG2 THR A 55 28.236 15.864 13.558 1.00 11.71 C -ATOM 433 N LEU A 56 26.585 20.063 13.378 1.00 6.91 N -ATOM 434 CA LEU A 56 25.594 21.109 13.072 1.00 8.29 C -ATOM 435 C LEU A 56 24.241 20.436 12.857 1.00 8.05 C -ATOM 436 O LEU A 56 23.264 20.951 13.329 1.00 10.17 O -ATOM 437 CB LEU A 56 26.084 21.888 11.833 1.00 6.60 C -ATOM 438 CG LEU A 56 27.426 22.616 11.902 1.00 7.73 C -ATOM 439 CD1 LEU A 56 27.718 23.341 10.578 1.00 9.85 C -ATOM 440 CD2 LEU A 56 27.380 23.721 12.955 1.00 8.64 C -ATOM 441 N SER A 57 24.240 19.233 12.246 1.00 8.92 N -ATOM 442 CA SER A 57 22.924 18.583 12.025 1.00 9.00 C -ATOM 443 C SER A 57 22.229 18.244 13.325 1.00 9.44 C -ATOM 444 O SER A 57 20.963 18.253 13.395 1.00 10.91 O -ATOM 445 CB SER A 57 23.059 17.326 11.154 1.00 10.32 C -ATOM 446 OG SER A 57 23.914 16.395 11.755 1.00 13.59 O -ATOM 447 N ASP A 58 22.997 17.978 14.366 1.00 9.11 N -ATOM 448 CA ASP A 58 22.418 17.638 15.693 1.00 7.91 C -ATOM 449 C ASP A 58 21.460 18.737 16.163 1.00 9.12 C -ATOM 450 O ASP A 58 20.497 18.506 16.900 1.00 8.61 O -ATOM 451 CB ASP A 58 23.461 17.331 16.741 1.00 8.41 C -ATOM 452 CG ASP A 58 24.184 16.016 16.619 1.00 11.50 C -ATOM 453 OD1 ASP A 58 25.303 15.894 17.152 1.00 10.05 O -ATOM 454 OD2 ASP A 58 23.572 15.107 15.975 1.00 11.70 O -ATOM 455 N TYR A 59 21.846 19.954 15.905 1.00 7.97 N -ATOM 456 CA TYR A 59 21.079 21.149 16.251 1.00 8.45 C -ATOM 457 C TYR A 59 20.142 21.590 15.149 1.00 10.98 C -ATOM 458 O TYR A 59 19.499 22.645 15.321 1.00 12.95 O -ATOM 459 CB TYR A 59 22.085 22.254 16.581 1.00 7.94 C -ATOM 460 CG TYR A 59 22.945 21.951 17.785 1.00 6.91 C -ATOM 461 CD1 TYR A 59 24.272 21.544 17.644 1.00 4.59 C -ATOM 462 CD2 TYR A 59 22.437 22.157 19.065 1.00 6.98 C -ATOM 463 CE1 TYR A 59 25.052 21.285 18.776 1.00 5.39 C -ATOM 464 CE2 TYR A 59 23.204 21.907 20.192 1.00 6.52 C -ATOM 465 CZ TYR A 59 24.517 21.470 20.030 1.00 6.76 C -ATOM 466 OH TYR A 59 25.248 21.302 21.191 1.00 7.63 O -ATOM 467 N ASN A 60 19.993 20.884 14.049 1.00 12.38 N -ATOM 468 CA ASN A 60 19.065 21.352 12.999 1.00 13.94 C -ATOM 469 C ASN A 60 19.442 22.745 12.510 1.00 14.16 C -ATOM 470 O ASN A 60 18.571 23.610 12.289 1.00 14.26 O -ATOM 471 CB ASN A 60 17.586 21.282 13.461 1.00 19.23 C -ATOM 472 CG ASN A 60 16.576 21.258 12.315 1.00 22.65 C -ATOM 473 OD1 ASN A 60 15.440 21.819 12.378 1.00 25.45 O -ATOM 474 ND2 ASN A 60 16.924 20.586 11.216 1.00 24.09 N -ATOM 475 N ILE A 61 20.717 22.964 12.260 1.00 11.08 N -ATOM 476 CA ILE A 61 21.184 24.263 11.690 1.00 11.78 C -ATOM 477 C ILE A 61 21.110 24.111 10.173 1.00 13.74 C -ATOM 478 O ILE A 61 21.841 23.198 9.686 1.00 14.60 O -ATOM 479 CB ILE A 61 22.650 24.516 12.172 1.00 11.80 C -ATOM 480 CG1 ILE A 61 22.662 24.819 13.699 1.00 11.56 C -ATOM 481 CG2 ILE A 61 23.376 25.645 11.409 1.00 13.29 C -ATOM 482 CD1 ILE A 61 24.123 24.981 14.195 1.00 11.42 C -ATOM 483 N GLN A 62 20.291 24.875 9.507 1.00 13.97 N -ATOM 484 CA GLN A 62 20.081 24.773 8.033 1.00 15.52 C -ATOM 485 C GLN A 62 20.822 25.914 7.332 1.00 13.94 C -ATOM 486 O GLN A 62 21.323 26.830 8.008 1.00 12.15 O -ATOM 487 CB GLN A 62 18.599 24.736 7.727 1.00 19.53 C -ATOM 488 CG GLN A 62 17.819 23.434 7.900 1.00 26.38 C -ATOM 489 CD GLN A 62 16.509 23.529 7.116 1.00 30.61 C -ATOM 490 OE1 GLN A 62 15.446 22.980 7.433 1.00 33.23 O -ATOM 491 NE2 GLN A 62 16.539 24.293 6.009 1.00 32.71 N -ATOM 492 N LYS A 63 20.924 25.862 6.006 1.00 11.73 N -ATOM 493 CA LYS A 63 21.656 26.847 5.240 1.00 11.97 C -ATOM 494 C LYS A 63 21.127 28.240 5.574 1.00 10.41 C -ATOM 495 O LYS A 63 19.958 28.465 5.842 1.00 9.59 O -ATOM 496 CB LYS A 63 21.631 26.642 3.731 1.00 13.73 C -ATOM 497 CG LYS A 63 20.210 26.423 3.175 1.00 16.98 C -ATOM 498 CD LYS A 63 20.268 26.589 1.656 1.00 20.19 C -ATOM 499 CE LYS A 63 19.202 25.857 0.891 1.00 23.42 C -ATOM 500 NZ LYS A 63 17.884 26.544 1.075 1.00 25.97 N -ATOM 501 N GLU A 64 22.099 29.163 5.605 1.00 10.04 N -ATOM 502 CA GLU A 64 21.907 30.563 5.881 1.00 10.94 C -ATOM 503 C GLU A 64 21.466 30.953 7.261 1.00 9.74 C -ATOM 504 O GLU A 64 21.066 32.112 7.533 1.00 9.42 O -ATOM 505 CB GLU A 64 21.023 31.223 4.784 1.00 18.31 C -ATOM 506 CG GLU A 64 21.861 31.342 3.474 1.00 24.16 C -ATOM 507 CD GLU A 64 21.156 30.726 2.311 1.00 29.00 C -ATOM 508 OE1 GLU A 64 19.942 30.793 2.170 1.00 31.72 O -ATOM 509 OE2 GLU A 64 21.954 30.152 1.535 1.00 32.61 O -ATOM 510 N SER A 65 21.674 30.034 8.191 1.00 6.85 N -ATOM 511 CA SER A 65 21.419 30.253 9.620 1.00 6.90 C -ATOM 512 C SER A 65 22.504 31.228 10.136 1.00 4.72 C -ATOM 513 O SER A 65 23.579 31.321 9.554 1.00 3.91 O -ATOM 514 CB SER A 65 21.637 28.923 10.353 1.00 7.28 C -ATOM 515 OG SER A 65 20.544 28.047 10.059 1.00 10.56 O -ATOM 516 N THR A 66 22.241 31.873 11.241 1.00 4.48 N -ATOM 517 CA THR A 66 23.212 32.762 11.891 1.00 3.80 C -ATOM 518 C THR A 66 23.509 32.224 13.290 1.00 4.60 C -ATOM 519 O THR A 66 22.544 31.942 14.034 1.00 5.33 O -ATOM 520 CB THR A 66 22.699 34.267 11.985 1.00 2.85 C -ATOM 521 OG1 THR A 66 22.495 34.690 10.589 1.00 2.15 O -ATOM 522 CG2 THR A 66 23.727 35.131 12.722 1.00 3.40 C -ATOM 523 N LEU A 67 24.790 32.021 13.618 1.00 4.17 N -ATOM 524 CA LEU A 67 25.149 31.609 14.980 1.00 3.85 C -ATOM 525 C LEU A 67 25.698 32.876 15.669 1.00 3.80 C -ATOM 526 O LEU A 67 26.158 33.730 14.894 1.00 5.54 O -ATOM 527 CB LEU A 67 26.310 30.594 14.967 1.00 7.18 C -ATOM 528 CG LEU A 67 26.290 29.480 13.960 1.00 9.67 C -ATOM 529 CD1 LEU A 67 27.393 28.442 14.229 1.00 8.12 C -ATOM 530 CD2 LEU A 67 24.942 28.807 13.952 1.00 11.66 C -ATOM 531 N HIS A 68 25.621 32.945 16.950 1.00 2.94 N -ATOM 532 CA HIS A 68 26.179 34.127 17.650 1.00 4.17 C -ATOM 533 C HIS A 68 27.475 33.651 18.304 1.00 5.32 C -ATOM 534 O HIS A 68 27.507 32.587 18.958 1.00 7.70 O -ATOM 535 CB HIS A 68 25.214 34.565 18.780 1.00 5.57 C -ATOM 536 CG HIS A 68 23.978 35.121 18.126 1.00 9.95 C -ATOM 537 ND1 HIS A 68 23.853 36.432 17.781 1.00 13.74 N -ATOM 538 CD2 HIS A 68 22.824 34.514 17.782 1.00 12.79 C -ATOM 539 CE1 HIS A 68 22.674 36.627 17.200 1.00 14.75 C -ATOM 540 NE2 HIS A 68 22.045 35.455 17.173 1.00 16.30 N -ATOM 541 N LEU A 69 28.525 34.447 18.189 1.00 5.29 N -ATOM 542 CA LEU A 69 29.801 34.145 18.829 1.00 3.97 C -ATOM 543 C LEU A 69 30.052 35.042 20.004 1.00 5.07 C -ATOM 544 O LEU A 69 30.105 36.305 19.788 1.00 4.34 O -ATOM 545 CB LEU A 69 30.925 34.304 17.753 1.00 6.08 C -ATOM 546 CG LEU A 69 32.345 34.183 18.358 1.00 7.37 C -ATOM 547 CD1 LEU A 69 32.555 32.783 18.870 1.00 6.87 C -ATOM 548 CD2 LEU A 69 33.361 34.491 17.245 1.00 9.96 C -ATOM 549 N VAL A 70 30.124 34.533 21.191 1.00 4.29 N -ATOM 550 CA VAL A 70 30.479 35.369 22.374 1.00 6.26 C -ATOM 551 C VAL A 70 31.901 34.910 22.728 1.00 9.22 C -ATOM 552 O VAL A 70 32.190 33.696 22.635 1.00 9.36 O -ATOM 553 CB VAL A 70 29.472 35.181 23.498 1.00 8.69 C -ATOM 554 CG1 VAL A 70 29.821 35.957 24.765 1.00 9.76 C -ATOM 555 CG2 VAL A 70 28.049 35.454 23.071 1.00 8.54 C -ATOM 556 N LEU A 71 32.763 35.831 23.090 1.00 12.71 N -ATOM 557 CA LEU A 71 34.145 35.472 23.481 1.00 16.06 C -ATOM 558 C LEU A 71 34.239 35.353 24.979 1.00 18.09 C -ATOM 559 O LEU A 71 33.707 36.197 25.728 1.00 19.26 O -ATOM 560 CB LEU A 71 35.114 36.564 22.907 1.00 17.10 C -ATOM 561 CG LEU A 71 35.926 35.979 21.737 1.00 19.37 C -ATOM 562 CD1 LEU A 71 35.003 35.084 20.920 1.00 17.51 C -ATOM 563 CD2 LEU A 71 36.533 37.087 20.917 1.00 19.57 C -ATOM 564 N ARG A 72 34.930 34.384 25.451 1.00 21.47 N -ATOM 565 CA ARG A 72 35.161 34.174 26.896 1.00 25.83 C -ATOM 566 C ARG A 72 36.671 34.296 27.089 1.00 27.74 C -ATOM 567 O ARG A 72 37.305 33.233 26.795 1.00 30.65 O -ATOM 568 CB ARG A 72 34.717 32.760 27.286 1.00 28.49 C -ATOM 569 CG ARG A 72 35.752 32.054 28.160 1.00 31.79 C -ATOM 570 CD ARG A 72 35.612 30.577 28.044 1.00 34.05 C -ATOM 571 NE ARG A 72 35.040 30.252 26.730 1.00 35.08 N -ATOM 572 CZ ARG A 72 34.338 29.103 26.650 1.00 34.67 C -ATOM 573 NH1 ARG A 72 34.110 28.437 27.768 1.00 35.02 N -ATOM 574 NH2 ARG A 72 34.014 28.657 25.457 1.00 34.97 N -ATOM 575 N LEU A 73 37.197 35.397 27.513 0.45 28.93 N -ATOM 576 CA LEU A 73 38.668 35.502 27.680 0.45 30.76 C -ATOM 577 C LEU A 73 39.076 34.931 29.031 0.45 32.18 C -ATOM 578 O LEU A 73 38.297 34.946 29.996 0.45 32.31 O -ATOM 579 CB LEU A 73 39.080 36.941 27.406 0.45 30.53 C -ATOM 580 CG LEU A 73 39.502 37.340 26.002 0.45 30.16 C -ATOM 581 CD1 LEU A 73 38.684 36.647 24.923 0.45 29.57 C -ATOM 582 CD2 LEU A 73 39.337 38.854 25.862 0.45 29.11 C -ATOM 583 N ARG A 74 40.294 34.412 29.045 0.45 33.82 N -ATOM 584 CA ARG A 74 40.873 33.802 30.253 0.45 35.33 C -ATOM 585 C ARG A 74 41.765 34.829 30.944 0.45 36.22 C -ATOM 586 O ARG A 74 42.945 34.994 30.583 0.45 36.70 O -ATOM 587 CB ARG A 74 41.651 32.529 29.923 0.45 36.91 C -ATOM 588 CG ARG A 74 41.608 31.444 30.989 0.45 38.62 C -ATOM 589 CD ARG A 74 41.896 30.080 30.456 0.45 39.75 C -ATOM 590 NE ARG A 74 43.311 29.735 30.563 0.45 41.13 N -ATOM 591 CZ ARG A 74 44.174 29.905 29.554 0.45 41.91 C -ATOM 592 NH1 ARG A 74 43.754 30.312 28.356 0.45 42.75 N -ATOM 593 NH2 ARG A 74 45.477 29.726 29.763 0.45 41.93 N -ATOM 594 N GLY A 75 41.165 35.531 31.898 0.25 36.31 N -ATOM 595 CA GLY A 75 41.845 36.550 32.686 0.25 36.07 C -ATOM 596 C GLY A 75 41.251 37.941 32.588 0.25 36.16 C -ATOM 597 O GLY A 75 41.102 38.523 31.500 0.25 36.26 O -ATOM 598 N GLY A 76 40.946 38.472 33.757 0.25 36.05 N -ATOM 599 CA GLY A 76 40.373 39.813 33.944 0.25 36.19 C -ATOM 600 C GLY A 76 40.031 39.992 35.432 0.25 36.20 C -ATOM 601 O GLY A 76 38.933 40.525 35.687 0.25 36.13 O -ATOM 602 OXT GLY A 76 40.862 39.575 36.251 0.25 36.27 O -TER 603 GLY A 76 -HETATM 604 O HOH A 77 45.747 30.081 19.708 1.00 12.43 O -HETATM 605 O HOH A 78 19.168 31.868 17.050 1.00 12.65 O -HETATM 606 O HOH A 79 32.010 38.387 19.636 1.00 12.83 O -HETATM 607 O HOH A 80 42.084 27.361 21.953 1.00 22.27 O -HETATM 608 O HOH A 81 21.314 20.644 8.719 1.00 18.33 O -HETATM 609 O HOH A 82 31.965 38.637 3.699 1.00 31.69 O -HETATM 610 O HOH A 83 27.707 15.908 4.653 1.00 20.30 O -HETATM 611 O HOH A 84 19.969 32.720 14.769 1.00 10.14 O -HETATM 612 O HOH A 85 29.847 13.577 10.864 1.00 29.65 O -HETATM 613 O HOH A 86 23.893 27.864 1.501 1.00 23.48 O -HETATM 614 O HOH A 87 19.638 23.312 4.775 1.00 18.40 O -HETATM 615 O HOH A 88 34.628 29.369 4.779 1.00 26.17 O -HETATM 616 O HOH A 89 42.240 24.744 25.707 1.00 31.34 O -HETATM 617 O HOH A 90 30.290 42.500 8.820 1.00 16.49 O -HETATM 618 O HOH A 91 24.512 39.162 10.841 1.00 13.14 O -HETATM 619 O HOH A 92 26.557 43.450 19.940 1.00 19.38 O -HETATM 620 O HOH A 93 42.535 22.385 13.872 1.00 29.35 O -HETATM 621 O HOH A 94 42.440 26.381 12.686 1.00 29.46 O -HETATM 622 O HOH A 95 22.651 14.457 13.085 1.00 22.07 O -HETATM 623 O HOH A 96 35.325 26.551 23.202 1.00 15.20 O -HETATM 624 O HOH A 97 23.629 20.940 3.146 1.00 15.45 O -HETATM 625 O HOH A 98 25.928 21.774 2.325 1.00 13.70 O -HETATM 626 O HOH A 99 33.388 21.973 5.659 1.00 24.89 O -HETATM 627 O HOH A 100 18.326 23.911 17.697 1.00 24.10 O -HETATM 628 O HOH A 101 18.160 27.072 10.662 1.00 20.76 O -HETATM 629 O HOH A 102 34.746 17.167 18.219 1.00 32.86 O -HETATM 630 O HOH A 103 19.801 32.364 20.210 1.00 21.09 O -HETATM 631 O HOH A 104 30.285 26.829 22.191 1.00 8.56 O -HETATM 632 O HOH A 105 44.612 32.306 16.961 1.00 7.69 O -HETATM 633 O HOH A 106 16.287 25.999 13.142 0.78 28.90 O -HETATM 634 O HOH A 107 27.101 42.135 15.494 0.51 23.36 O -HETATM 635 O HOH A 108 37.209 23.795 21.367 0.74 27.88 O -HETATM 636 O HOH A 109 19.582 32.034 -0.685 0.49 22.24 O -HETATM 637 O HOH A 110 28.824 25.094 0.886 0.77 36.99 O -HETATM 638 O HOH A 111 25.146 19.162 25.323 0.87 36.70 O -HETATM 639 O HOH A 112 20.747 37.769 14.674 0.85 29.64 O -HETATM 640 O HOH A 113 16.035 17.841 8.765 0.61 23.89 O -HETATM 641 O HOH A 114 35.712 46.814 12.926 0.48 27.11 O -HETATM 642 O HOH A 115 15.570 27.475 7.482 0.51 24.18 O -HETATM 643 O HOH A 116 33.447 21.075 2.918 0.59 26.03 O -HETATM 644 O HOH A 117 41.116 39.021 13.061 0.63 22.39 O -HETATM 645 O HOH A 118 32.346 13.689 18.912 0.48 24.09 O -HETATM 646 O HOH A 119 31.197 13.048 7.920 0.71 29.54 O -HETATM 647 O HOH A 120 42.853 39.375 29.308 0.64 46.90 O -HETATM 648 O HOH A 121 39.646 23.959 9.699 0.41 18.25 O -HETATM 649 O HOH A 122 34.405 45.181 13.420 0.87 26.13 O -HETATM 650 O HOH A 123 26.517 24.300 27.592 0.41 21.02 O -HETATM 651 O HOH A 124 40.740 38.734 9.602 0.45 16.60 O -HETATM 652 O HOH A 125 31.494 18.276 23.170 0.67 26.53 O -HETATM 653 O HOH A 126 37.752 30.947 1.059 0.87 32.52 O -HETATM 654 O HOH A 127 31.771 16.941 7.511 0.64 15.94 O -HETATM 655 O HOH A 128 41.628 24.537 10.145 0.57 22.53 O -HETATM 656 O HOH A 129 28.988 22.175 -1.744 0.56 29.32 O -HETATM 657 O HOH A 130 14.882 16.539 10.692 0.53 24.82 O -HETATM 658 O HOH A 131 32.589 40.385 7.523 0.36 26.01 O -HETATM 659 O HOH A 132 38.363 30.369 5.579 0.49 35.45 O -HETATM 660 O HOH A 133 27.841 46.062 17.589 0.81 32.15 O -HETATM 661 O HOH A 134 37.667 43.421 17.000 0.50 33.32 O -MASTER 260 0 0 2 5 0 0 6 660 1 0 6 -END diff --git a/inputs/C2.sym b/inputs/C2.sym new file mode 100644 index 00000000000..35049d95d99 --- /dev/null +++ b/inputs/C2.sym @@ -0,0 +1,2 @@ +A B +A_B diff --git a/inputs/inputs/1VGT.pdb b/inputs/inputs/1VGT.pdb new file mode 100644 index 00000000000..6f14f33148e --- /dev/null +++ b/inputs/inputs/1VGT.pdb @@ -0,0 +1,3870 @@ +HEADER TRANSFERASE 03-NOV-03 1VGT +TITLE CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL +TITLE 2 SYNTHASE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE; +COMPND 3 CHAIN: A, B; +COMPND 4 SYNONYM: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE, MEP +COMPND 5 CYTIDYLYLTRANSFERASE, MCT, CDP-ME SYNTHETASE; +COMPND 6 EC: 2.7.7.60; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; +SOURCE 3 ORGANISM_TAXID: 562; +SOURCE 4 GENE: ISPD, B2747; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS STRUCTURAL GENOMICS, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR STRUCTURAL GENOMIX +REVDAT 7 27-DEC-23 1VGT 1 REMARK +REVDAT 6 04-OCT-17 1VGT 1 REMARK +REVDAT 5 13-JUL-11 1VGT 1 VERSN +REVDAT 4 24-FEB-09 1VGT 1 VERSN +REVDAT 3 30-AUG-05 1VGT 1 JRNL +REVDAT 2 30-DEC-03 1VGT 1 JRNL +REVDAT 1 25-NOV-03 1VGT 0 +JRNL AUTH J.BADGER,J.M.SAUDER,J.M.ADAMS,S.ANTONYSAMY,K.BAIN, +JRNL AUTH 2 M.G.BERGSEID,S.G.BUCHANAN,M.D.BUCHANAN,Y.BATIYENKO, +JRNL AUTH 3 J.A.CHRISTOPHER,S.EMTAGE,A.EROSHKINA,I.FEIL,E.B.FURLONG, +JRNL AUTH 4 K.S.GAJIWALA,X.GAO,D.HE,J.HENDLE,A.HUBER,K.HODA,P.KEARINS, +JRNL AUTH 5 C.KISSINGER,B.LAUBERT,H.A.LEWIS,J.LIN,K.LOOMIS,D.LORIMER, +JRNL AUTH 6 G.LOUIE,M.MALETIC,C.D.MARSH,I.MILLER,J.MOLINARI, +JRNL AUTH 7 H.J.MULLER-DIECKMANN,J.M.NEWMAN,B.W.NOLAND,B.PAGARIGAN, +JRNL AUTH 8 F.PARK,T.S.PEAT,K.W.POST,S.RADOJICIC,A.RAMOS,R.ROMERO, +JRNL AUTH 9 M.E.RUTTER,W.E.SANDERSON,K.D.SCHWINN,J.TRESSER,J.WINHOVEN, +JRNL AUTH10 T.A.WRIGHT,L.WU,J.XU,T.J.HARRIS +JRNL TITL STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A +JRNL TITL 2 BACTERIAL GENOMICS PROJECT +JRNL REF PROTEINS V. 60 787 2005 +JRNL REFN ISSN 0887-3585 +JRNL PMID 16021622 +JRNL DOI 10.1002/PROT.20541 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 4.0 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.65 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 40898 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.224 +REMARK 3 FREE R VALUE : 0.253 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2071 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3176 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 197 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.22 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.93100 +REMARK 3 B22 (A**2) : 0.38600 +REMARK 3 B33 (A**2) : -1.31600 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): NULL +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.028 ; NULL +REMARK 3 ANGLE DISTANCE (A) : 2.398 ; NULL +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.013 ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.174 ; NULL +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : NULL ; NULL +REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL +REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 2.878 ; NULL +REMARK 3 STAGGERED (DEGREES) : NULL ; NULL +REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.151 ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.318 ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.402 ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.985 ; NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1VGT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-03. +REMARK 100 THE DEPOSITION ID IS D_1000001852. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 32-ID +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9795, 0.9641, 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE +REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40899 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 22.650 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 +REMARK 200 DATA REDUNDANCY : 6.600 +REMARK 200 R MERGE (I) : 0.05800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 17.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 +REMARK 200 COMPLETENESS FOR SHELL (%) : 96.8 +REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.45500 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 4.600 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SE-MET MAD PHASING +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 42.64 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.19250 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 69.19250 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA,PQS +REMARK 350 TOTAL BURIED SURFACE AREA: 3240 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 18220 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A -1 +REMARK 465 SER A 0 +REMARK 465 LEU A 1 +REMARK 465 ALA A 2 +REMARK 465 THR A 3 +REMARK 465 THR A 4 +REMARK 465 HIS A 5 +REMARK 465 GLY A 16 +REMARK 465 PHE A 17 +REMARK 465 GLY A 18 +REMARK 465 ARG A 19 +REMARK 465 ARG A 20 +REMARK 465 MET A 21 +REMARK 465 GLN A 22 +REMARK 465 THR A 23 +REMARK 465 GLU A 24 +REMARK 465 CYS A 25 +REMARK 465 PRO A 60 +REMARK 465 GLY A 61 +REMARK 465 ASP A 62 +REMARK 465 ARG A 216 +REMARK 465 PRO A 217 +REMARK 465 THR A 228 +REMARK 465 ARG A 229 +REMARK 465 THR A 230 +REMARK 465 ILE A 231 +REMARK 465 HIS A 232 +REMARK 465 GLN A 233 +REMARK 465 GLU A 234 +REMARK 465 ASN A 235 +REMARK 465 THR A 236 +REMARK 465 MET B -1 +REMARK 465 SER B 0 +REMARK 465 LEU B 1 +REMARK 465 ALA B 2 +REMARK 465 THR B 3 +REMARK 465 THR B 4 +REMARK 465 HIS B 5 +REMARK 465 ARG B 19 +REMARK 465 ARG B 20 +REMARK 465 MET B 21 +REMARK 465 GLN B 22 +REMARK 465 THR B 23 +REMARK 465 GLU B 24 +REMARK 465 CYS B 25 +REMARK 465 THR B 230 +REMARK 465 ILE B 231 +REMARK 465 HIS B 232 +REMARK 465 GLN B 233 +REMARK 465 GLU B 234 +REMARK 465 ASN B 235 +REMARK 465 THR B 236 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ASP A 83 CG OD1 OD2 +REMARK 470 LYS A 148 CD CE NZ +REMARK 470 GLU A 172 CD OE1 OE2 +REMARK 470 GLN A 203 CD OE1 NE2 +REMARK 470 GLU A 218 CG CD OE1 OE2 +REMARK 470 LYS B 27 CD CE NZ +REMARK 470 ARG B 64 CG CD NE CZ NH1 NH2 +REMARK 470 GLN B 67 CG CD OE1 NE2 +REMARK 470 ASP B 83 CG OD1 OD2 +REMARK 470 ASP B 98 CG OD1 OD2 +REMARK 470 GLU B 125 CG CD OE1 OE2 +REMARK 470 ARG B 128 CD NE CZ NH1 NH2 +REMARK 470 LYS B 148 CG CD CE NZ +REMARK 470 ARG B 216 NE CZ NH1 NH2 +REMARK 470 ARG B 229 NE CZ NH1 NH2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 LEU A 103 CA - CB - CG ANGL. DEV. = 14.9 DEGREES +REMARK 500 ARG A 171 CD - NE - CZ ANGL. DEV. = 11.2 DEGREES +REMARK 500 CYS A 177 CA - CB - SG ANGL. DEV. = 11.9 DEGREES +REMARK 500 ARG A 180 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES +REMARK 500 TYR A 197 CB - CG - CD1 ANGL. DEV. = -5.5 DEGREES +REMARK 500 ARG B 53 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ARG B 143 CD - NE - CZ ANGL. DEV. = 16.4 DEGREES +REMARK 500 ARG B 143 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASN A 149 57.24 -102.42 +REMARK 500 THR A 189 -77.40 -104.67 +REMARK 500 ALA B 108 32.78 -99.83 +REMARK 500 ASP B 139 -156.66 -109.71 +REMARK 500 ASN B 149 57.26 -97.94 +REMARK 500 LEU B 164 -165.96 -109.88 +REMARK 500 THR B 189 -78.44 -122.77 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1VGT A 2 236 UNP Q46893 ISPD_ECOLI 1 235 +DBREF 1VGT B 2 236 UNP Q46893 ISPD_ECOLI 1 235 +SEQADV 1VGT MET A -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER A 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU A 1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT MET B -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER B 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU B 1 UNP Q46893 CLONING ARTIFACT +SEQRES 1 A 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 A 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 A 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 A 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 A 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 A 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 A 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 A 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 A 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 A 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 A 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 A 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 A 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 A 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 A 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 A 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 A 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 A 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 A 238 GLN GLU ASN THR +SEQRES 1 B 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 B 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 B 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 B 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 B 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 B 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 B 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 B 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 B 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 B 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 B 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 B 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 B 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 B 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 B 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 B 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 B 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 B 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 B 238 GLN GLU ASN THR +FORMUL 3 HOH *197(H2 O) +HELIX 1 1 PRO A 26 TYR A 29 5 4 +HELIX 2 2 ILE A 37 ALA A 47 1 11 +HELIX 3 3 SER A 63 LEU A 68 1 6 +HELIX 4 4 PRO A 69 HIS A 73 5 5 +HELIX 5 5 GLU A 84 ALA A 95 1 12 +HELIX 6 6 HIS A 113 ALA A 122 1 10 +HELIX 7 7 ALA A 122 SER A 127 1 6 +HELIX 8 8 ARG A 171 GLU A 184 1 14 +HELIX 9 9 ASP A 190 GLY A 199 1 10 +HELIX 10 10 GLU A 218 LEU A 227 1 10 +HELIX 11 11 ILE B 37 ALA B 47 1 11 +HELIX 12 12 ARG B 64 HIS B 73 5 10 +HELIX 13 13 GLU B 84 LYS B 94 1 11 +HELIX 14 14 HIS B 113 ALA B 122 1 10 +HELIX 15 15 ALA B 122 SER B 127 1 6 +HELIX 16 16 ARG B 171 GLU B 184 1 14 +HELIX 17 17 ASP B 190 CYS B 198 1 9 +HELIX 18 18 GLU B 218 ARG B 229 1 12 +SHEET 1 A 7 ILE A 76 ASP A 80 0 +SHEET 2 A 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 A 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 A 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 A 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 A 7 GLY A 131 PRO A 136 -1 N ALA A 135 O HIS A 162 +SHEET 7 A 7 GLN A 203 GLU A 206 1 O VAL A 205 N ILE A 132 +SHEET 1 B 7 ILE A 76 ASP A 80 0 +SHEET 2 B 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 B 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 B 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 B 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 B 7 MET B 141 ALA B 144 -1 O LYS B 142 N TRP A 161 +SHEET 7 B 7 ILE B 151 VAL B 155 -1 O HIS B 153 N ARG B 143 +SHEET 1 C 2 SER A 31 ILE A 32 0 +SHEET 2 C 2 GLN A 35 THR A 36 -1 O GLN A 35 N ILE A 32 +SHEET 1 D 7 ILE A 151 VAL A 155 0 +SHEET 2 D 7 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 D 7 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 D 7 TRP B 101 VAL B 104 -1 N VAL B 102 O PHE B 169 +SHEET 5 D 7 VAL B 8 ALA B 14 1 N VAL B 11 O LEU B 103 +SHEET 6 D 7 VAL B 51 ILE B 58 1 O VAL B 55 N ALA B 10 +SHEET 7 D 7 ILE B 76 ASP B 80 1 O THR B 77 N ILE B 56 +SHEET 1 E 5 ILE A 151 VAL A 155 0 +SHEET 2 E 5 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 E 5 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 E 5 GLY B 131 PRO B 136 -1 N ALA B 135 O HIS B 162 +SHEET 5 E 5 GLN B 203 GLU B 206 1 O VAL B 205 N ILE B 132 +SHEET 1 F 2 SER B 31 ILE B 32 0 +SHEET 2 F 2 GLN B 35 THR B 36 -1 O GLN B 35 N ILE B 32 +SSBOND 1 CYS A 177 CYS A 198 1555 1555 2.10 +SSBOND 2 CYS B 177 CYS B 198 1555 1555 2.85 +CISPEP 1 THR A 165 PRO A 166 0 3.49 +CISPEP 2 THR B 165 PRO B 166 0 4.29 +CRYST1 40.866 78.783 138.385 90.00 90.00 90.00 P 21 21 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.024470 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.012693 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.007226 0.00000 +ATOM 1 N LEU A 6 14.062 28.153 58.701 1.00 42.92 N +ATOM 2 CA LEU A 6 14.250 29.073 57.602 1.00 40.74 C +ATOM 3 C LEU A 6 15.174 30.233 57.953 1.00 37.63 C +ATOM 4 O LEU A 6 15.776 30.811 57.034 1.00 37.92 O +ATOM 5 CB LEU A 6 12.946 29.615 57.039 1.00 42.62 C +ATOM 6 CG LEU A 6 12.026 28.747 56.211 1.00 48.58 C +ATOM 7 CD1 LEU A 6 10.760 29.545 55.789 1.00 49.08 C +ATOM 8 CD2 LEU A 6 12.730 28.279 54.921 1.00 48.00 C +ATOM 9 N ASP A 7 15.347 30.597 59.211 1.00 35.36 N +ATOM 10 CA ASP A 7 16.219 31.721 59.539 1.00 33.08 C +ATOM 11 C ASP A 7 17.647 31.508 59.038 1.00 30.64 C +ATOM 12 O ASP A 7 18.235 30.450 59.206 1.00 31.48 O +ATOM 13 CB ASP A 7 16.298 31.960 61.046 1.00 39.91 C +ATOM 14 CG ASP A 7 14.963 32.324 61.666 1.00 45.41 C +ATOM 15 OD1 ASP A 7 14.068 32.779 60.942 1.00 42.12 O +ATOM 16 OD2 ASP A 7 14.865 32.111 62.903 1.00 51.03 O +ATOM 17 N VAL A 8 18.219 32.580 58.515 1.00 29.24 N +ATOM 18 CA VAL A 8 19.582 32.577 58.013 1.00 26.32 C +ATOM 19 C VAL A 8 20.378 33.663 58.744 1.00 26.07 C +ATOM 20 O VAL A 8 19.828 34.721 59.056 1.00 23.30 O +ATOM 21 CB VAL A 8 19.553 32.940 56.507 1.00 27.57 C +ATOM 22 CG1 VAL A 8 20.917 33.197 55.937 1.00 25.06 C +ATOM 23 CG2 VAL A 8 18.849 31.818 55.708 1.00 27.58 C +ATOM 24 N CYS A 9 21.647 33.380 59.038 1.00 22.43 N +ATOM 25 CA CYS A 9 22.489 34.415 59.632 1.00 20.76 C +ATOM 26 C CYS A 9 23.617 34.669 58.572 1.00 22.17 C +ATOM 27 O CYS A 9 24.091 33.678 58.035 1.00 22.96 O +ATOM 28 CB CYS A 9 23.172 33.926 60.913 1.00 23.02 C +ATOM 29 SG CYS A 9 24.164 35.158 61.723 1.00 21.81 S +ATOM 30 N ALA A 10 23.795 35.906 58.197 1.00 20.70 N +ATOM 31 CA ALA A 10 24.857 36.210 57.215 1.00 20.32 C +ATOM 32 C ALA A 10 26.130 36.546 57.982 1.00 21.15 C +ATOM 33 O ALA A 10 26.079 36.968 59.149 1.00 21.25 O +ATOM 34 CB ALA A 10 24.412 37.410 56.383 1.00 21.33 C +ATOM 35 N VAL A 11 27.269 36.364 57.353 1.00 19.68 N +ATOM 36 CA VAL A 11 28.560 36.673 57.937 1.00 20.51 C +ATOM 37 C VAL A 11 29.330 37.507 56.877 1.00 23.30 C +ATOM 38 O VAL A 11 29.366 37.053 55.730 1.00 21.76 O +ATOM 39 CB VAL A 11 29.371 35.442 58.295 1.00 21.79 C +ATOM 40 CG1 VAL A 11 30.808 35.768 58.680 1.00 20.65 C +ATOM 41 CG2 VAL A 11 28.700 34.707 59.476 1.00 21.30 C +ATOM 42 N VAL A 12 29.839 38.650 57.318 1.00 21.83 N +ATOM 43 CA VAL A 12 30.615 39.489 56.374 1.00 23.64 C +ATOM 44 C VAL A 12 32.010 39.602 56.958 1.00 28.72 C +ATOM 45 O VAL A 12 32.194 40.293 57.986 1.00 30.27 O +ATOM 46 CB VAL A 12 30.006 40.872 56.176 1.00 26.69 C +ATOM 47 CG1 VAL A 12 30.849 41.745 55.203 1.00 24.66 C +ATOM 48 CG2 VAL A 12 28.598 40.783 55.611 1.00 24.43 C +ATOM 49 N PRO A 13 32.979 38.927 56.387 1.00 27.83 N +ATOM 50 CA PRO A 13 34.358 39.022 56.922 1.00 31.17 C +ATOM 51 C PRO A 13 34.880 40.386 56.541 1.00 33.27 C +ATOM 52 O PRO A 13 34.938 40.764 55.378 1.00 34.75 O +ATOM 53 CB PRO A 13 35.049 37.840 56.313 1.00 31.04 C +ATOM 54 CG PRO A 13 34.195 37.278 55.269 1.00 27.98 C +ATOM 55 CD PRO A 13 32.901 38.061 55.206 1.00 30.65 C +ATOM 56 N ALA A 14 35.172 41.259 57.521 1.00 36.76 N +ATOM 57 CA ALA A 14 35.593 42.618 57.176 1.00 40.08 C +ATOM 58 C ALA A 14 36.796 43.108 57.946 1.00 42.28 C +ATOM 59 O ALA A 14 36.921 44.309 58.225 1.00 43.55 O +ATOM 60 CB ALA A 14 34.401 43.555 57.347 1.00 37.20 C +ATOM 61 N ALA A 15 37.704 42.194 58.311 1.00 43.70 N +ATOM 62 CA ALA A 15 38.889 42.580 59.077 1.00 45.75 C +ATOM 63 C ALA A 15 40.148 42.616 58.211 1.00 48.62 C +ATOM 64 O ALA A 15 40.094 42.371 56.995 1.00 50.27 O +ATOM 65 CB ALA A 15 39.093 41.598 60.227 1.00 46.95 C +ATOM 66 N PRO A 26 40.471 49.533 53.116 1.00 48.01 N +ATOM 67 CA PRO A 26 39.555 50.648 52.914 1.00 46.95 C +ATOM 68 C PRO A 26 38.569 50.451 51.814 1.00 43.12 C +ATOM 69 O PRO A 26 37.569 51.187 51.731 1.00 41.74 O +ATOM 70 CB PRO A 26 40.541 51.775 52.542 1.00 48.84 C +ATOM 71 CG PRO A 26 41.722 51.509 53.392 1.00 49.92 C +ATOM 72 CD PRO A 26 41.686 50.069 53.821 1.00 50.28 C +ATOM 73 N LYS A 27 38.763 49.451 50.926 1.00 39.80 N +ATOM 74 CA LYS A 27 37.774 49.319 49.847 1.00 37.54 C +ATOM 75 C LYS A 27 36.351 49.369 50.315 1.00 33.88 C +ATOM 76 O LYS A 27 35.518 50.143 49.837 1.00 34.01 O +ATOM 77 CB LYS A 27 38.070 48.092 48.974 1.00 41.12 C +ATOM 78 CG LYS A 27 39.320 48.291 48.103 1.00 47.56 C +ATOM 79 CD LYS A 27 39.255 49.619 47.352 1.00 48.51 C +ATOM 80 CE LYS A 27 40.613 50.048 46.835 1.00 53.82 C +ATOM 81 NZ LYS A 27 41.738 49.528 47.669 1.00 55.97 N +ATOM 82 N GLN A 28 35.998 48.623 51.371 1.00 35.18 N +ATOM 83 CA GLN A 28 34.642 48.612 51.870 1.00 35.98 C +ATOM 84 C GLN A 28 34.276 49.915 52.583 1.00 34.55 C +ATOM 85 O GLN A 28 33.102 50.153 52.823 1.00 33.76 O +ATOM 86 CB GLN A 28 34.424 47.418 52.811 1.00 40.38 C +ATOM 87 CG GLN A 28 35.011 47.637 54.195 1.00 45.79 C +ATOM 88 CD GLN A 28 36.424 47.122 54.295 1.00 51.58 C +ATOM 89 OE1 GLN A 28 37.246 47.369 53.402 1.00 58.72 O +ATOM 90 NE2 GLN A 28 36.702 46.379 55.362 1.00 53.77 N +ATOM 91 N TYR A 29 35.263 50.777 52.811 1.00 35.63 N +ATOM 92 CA TYR A 29 34.984 52.065 53.459 1.00 37.51 C +ATOM 93 C TYR A 29 34.909 53.196 52.470 1.00 39.63 C +ATOM 94 O TYR A 29 34.765 54.369 52.817 1.00 40.92 O +ATOM 95 CB TYR A 29 35.959 52.302 54.607 1.00 37.98 C +ATOM 96 CG TYR A 29 35.770 51.337 55.768 1.00 37.37 C +ATOM 97 CD1 TYR A 29 36.864 50.803 56.425 1.00 36.72 C +ATOM 98 CD2 TYR A 29 34.502 50.976 56.184 1.00 36.22 C +ATOM 99 CE1 TYR A 29 36.682 49.896 57.477 1.00 40.68 C +ATOM 100 CE2 TYR A 29 34.312 50.086 57.224 1.00 38.28 C +ATOM 101 CZ TYR A 29 35.407 49.562 57.869 1.00 38.96 C +ATOM 102 OH TYR A 29 35.199 48.694 58.908 1.00 44.10 O +ATOM 103 N LEU A 30 34.967 52.869 51.164 1.00 40.51 N +ATOM 104 CA LEU A 30 34.800 53.887 50.120 1.00 39.07 C +ATOM 105 C LEU A 30 33.295 54.172 50.068 1.00 40.41 C +ATOM 106 O LEU A 30 32.534 53.320 50.529 1.00 39.58 O +ATOM 107 CB LEU A 30 35.317 53.436 48.783 1.00 37.56 C +ATOM 108 CG LEU A 30 36.830 53.203 48.658 1.00 40.11 C +ATOM 109 CD1 LEU A 30 37.145 52.571 47.307 1.00 38.72 C +ATOM 110 CD2 LEU A 30 37.567 54.534 48.822 1.00 43.54 C +ATOM 111 N SER A 31 32.866 55.299 49.527 1.00 40.29 N +ATOM 112 CA SER A 31 31.454 55.620 49.540 1.00 40.19 C +ATOM 113 C SER A 31 30.831 55.869 48.185 1.00 41.90 C +ATOM 114 O SER A 31 31.418 56.398 47.258 1.00 42.47 O +ATOM 115 CB SER A 31 31.213 56.889 50.396 1.00 43.79 C +ATOM 116 OG SER A 31 31.289 56.599 51.775 1.00 47.84 O +ATOM 117 N ILE A 32 29.554 55.529 48.114 1.00 41.34 N +ATOM 118 CA ILE A 32 28.716 55.715 46.969 1.00 43.56 C +ATOM 119 C ILE A 32 27.380 56.275 47.488 1.00 44.17 C +ATOM 120 O ILE A 32 26.647 55.593 48.191 1.00 42.60 O +ATOM 121 CB ILE A 32 28.473 54.448 46.142 1.00 43.22 C +ATOM 122 CG1 ILE A 32 29.761 53.964 45.477 1.00 44.56 C +ATOM 123 CG2 ILE A 32 27.400 54.719 45.092 1.00 45.58 C +ATOM 124 CD1 ILE A 32 29.630 52.661 44.717 1.00 45.28 C +ATOM 125 N GLY A 33 27.175 57.566 47.208 1.00 43.72 N +ATOM 126 CA GLY A 33 25.941 58.207 47.686 1.00 44.40 C +ATOM 127 C GLY A 33 26.098 58.461 49.181 1.00 44.98 C +ATOM 128 O GLY A 33 27.204 58.759 49.644 1.00 44.29 O +ATOM 129 N ASN A 34 25.057 58.211 49.957 1.00 47.11 N +ATOM 130 CA ASN A 34 25.104 58.441 51.394 1.00 51.08 C +ATOM 131 C ASN A 34 25.772 57.354 52.192 1.00 50.03 C +ATOM 132 O ASN A 34 25.687 57.343 53.435 1.00 51.75 O +ATOM 133 CB ASN A 34 23.636 58.592 51.896 1.00 58.30 C +ATOM 134 CG ASN A 34 22.694 57.553 51.343 1.00 64.14 C +ATOM 135 OD1 ASN A 34 23.064 56.646 50.588 1.00 69.65 O +ATOM 136 ND2 ASN A 34 21.413 57.664 51.719 1.00 67.38 N +ATOM 137 N GLN A 35 26.288 56.298 51.532 1.00 48.28 N +ATOM 138 CA GLN A 35 26.793 55.154 52.284 1.00 44.54 C +ATOM 139 C GLN A 35 28.072 54.518 51.805 1.00 42.00 C +ATOM 140 O GLN A 35 28.410 54.557 50.622 1.00 40.63 O +ATOM 141 CB GLN A 35 25.662 54.069 52.223 1.00 48.13 C +ATOM 142 CG GLN A 35 24.290 54.594 52.523 1.00 52.20 C +ATOM 143 CD GLN A 35 23.125 53.676 52.492 1.00 57.02 C +ATOM 144 OE1 GLN A 35 22.079 53.929 53.118 1.00 59.31 O +ATOM 145 NE2 GLN A 35 23.229 52.559 51.774 1.00 58.90 N +ATOM 146 N THR A 36 28.772 53.861 52.734 1.00 37.41 N +ATOM 147 CA THR A 36 29.999 53.162 52.448 1.00 34.94 C +ATOM 148 C THR A 36 29.612 51.853 51.690 1.00 33.89 C +ATOM 149 O THR A 36 28.449 51.485 51.689 1.00 31.24 O +ATOM 150 CB THR A 36 30.875 52.795 53.624 1.00 36.54 C +ATOM 151 OG1 THR A 36 30.254 51.834 54.493 1.00 31.74 O +ATOM 152 CG2 THR A 36 31.236 54.039 54.451 1.00 36.21 C +ATOM 153 N ILE A 37 30.610 51.305 51.033 1.00 32.88 N +ATOM 154 CA ILE A 37 30.347 50.075 50.238 1.00 28.92 C +ATOM 155 C ILE A 37 29.846 48.989 51.200 1.00 30.15 C +ATOM 156 O ILE A 37 28.819 48.376 50.908 1.00 30.44 O +ATOM 157 CB ILE A 37 31.580 49.647 49.475 1.00 29.50 C +ATOM 158 CG1 ILE A 37 31.981 50.727 48.451 1.00 31.17 C +ATOM 159 CG2 ILE A 37 31.308 48.313 48.746 1.00 30.72 C +ATOM 160 CD1 ILE A 37 31.063 50.858 47.264 1.00 32.08 C +ATOM 161 N LEU A 38 30.521 48.834 52.329 1.00 29.72 N +ATOM 162 CA LEU A 38 30.119 47.886 53.363 1.00 27.90 C +ATOM 163 C LEU A 38 28.642 48.050 53.688 1.00 28.20 C +ATOM 164 O LEU A 38 27.896 47.063 53.816 1.00 27.48 O +ATOM 165 CB LEU A 38 30.969 48.049 54.623 1.00 30.95 C +ATOM 166 CG LEU A 38 30.576 47.112 55.800 1.00 30.46 C +ATOM 167 CD1 LEU A 38 30.749 45.663 55.412 1.00 22.99 C +ATOM 168 CD2 LEU A 38 31.378 47.461 57.037 1.00 30.02 C +ATOM 169 N GLU A 39 28.155 49.289 53.874 1.00 28.38 N +ATOM 170 CA GLU A 39 26.725 49.468 54.195 1.00 27.68 C +ATOM 171 C GLU A 39 25.814 49.014 53.098 1.00 27.58 C +ATOM 172 O GLU A 39 24.706 48.516 53.283 1.00 27.83 O +ATOM 173 CB GLU A 39 26.447 50.965 54.525 1.00 32.94 C +ATOM 174 CG GLU A 39 27.153 51.448 55.788 1.00 33.26 C +ATOM 175 CD GLU A 39 27.178 52.979 55.886 1.00 37.51 C +ATOM 176 OE1 GLU A 39 28.137 53.623 55.415 1.00 33.33 O +ATOM 177 OE2 GLU A 39 26.206 53.538 56.443 1.00 41.17 O +ATOM 178 N HIS A 40 26.175 49.287 51.819 1.00 26.22 N +ATOM 179 CA HIS A 40 25.429 48.892 50.679 1.00 28.24 C +ATOM 180 C HIS A 40 25.347 47.326 50.665 1.00 24.65 C +ATOM 181 O HIS A 40 24.295 46.809 50.393 1.00 27.82 O +ATOM 182 CB HIS A 40 26.099 49.344 49.358 1.00 28.55 C +ATOM 183 CG HIS A 40 25.939 50.815 49.080 1.00 29.88 C +ATOM 184 ND1 HIS A 40 24.759 51.372 48.706 1.00 33.53 N +ATOM 185 CD2 HIS A 40 26.835 51.823 49.080 1.00 30.91 C +ATOM 186 CE1 HIS A 40 24.901 52.669 48.503 1.00 34.34 C +ATOM 187 NE2 HIS A 40 26.179 52.967 48.738 1.00 29.90 N +ATOM 188 N SER A 41 26.462 46.720 50.897 1.00 27.07 N +ATOM 189 CA SER A 41 26.566 45.236 50.903 1.00 25.76 C +ATOM 190 C SER A 41 25.724 44.658 52.029 1.00 26.72 C +ATOM 191 O SER A 41 24.880 43.809 51.822 1.00 27.35 O +ATOM 192 CB SER A 41 28.015 44.851 51.077 1.00 26.97 C +ATOM 193 OG SER A 41 28.172 43.464 51.344 1.00 34.42 O +ATOM 194 N VAL A 42 25.847 45.261 53.220 1.00 28.47 N +ATOM 195 CA VAL A 42 25.025 44.742 54.347 1.00 27.51 C +ATOM 196 C VAL A 42 23.546 44.915 54.106 1.00 28.30 C +ATOM 197 O VAL A 42 22.701 44.048 54.371 1.00 25.51 O +ATOM 198 CB VAL A 42 25.459 45.381 55.656 1.00 29.28 C +ATOM 199 CG1 VAL A 42 24.489 45.007 56.787 1.00 33.72 C +ATOM 200 CG2 VAL A 42 26.884 45.061 56.034 1.00 29.96 C +ATOM 201 N HIS A 43 23.126 46.097 53.662 1.00 29.02 N +ATOM 202 CA HIS A 43 21.716 46.362 53.407 1.00 30.86 C +ATOM 203 C HIS A 43 21.124 45.459 52.359 1.00 27.92 C +ATOM 204 O HIS A 43 19.963 45.091 52.418 1.00 27.71 O +ATOM 205 CB HIS A 43 21.531 47.853 53.020 1.00 37.84 C +ATOM 206 CG HIS A 43 21.560 48.722 54.243 1.00 43.72 C +ATOM 207 ND1 HIS A 43 22.410 49.790 54.391 1.00 46.93 N +ATOM 208 CD2 HIS A 43 20.841 48.635 55.399 1.00 42.69 C +ATOM 209 CE1 HIS A 43 22.214 50.334 55.581 1.00 48.92 C +ATOM 210 NE2 HIS A 43 21.269 49.650 56.204 1.00 47.14 N +ATOM 211 N ALA A 44 21.952 45.011 51.393 1.00 27.80 N +ATOM 212 CA ALA A 44 21.406 44.101 50.376 1.00 28.50 C +ATOM 213 C ALA A 44 21.083 42.766 51.016 1.00 25.74 C +ATOM 214 O ALA A 44 20.161 42.049 50.605 1.00 27.86 O +ATOM 215 CB ALA A 44 22.467 43.936 49.271 1.00 27.17 C +ATOM 216 N LEU A 45 21.906 42.365 51.984 1.00 24.10 N +ATOM 217 CA LEU A 45 21.679 41.071 52.654 1.00 22.81 C +ATOM 218 C LEU A 45 20.436 41.173 53.548 1.00 24.68 C +ATOM 219 O LEU A 45 19.571 40.294 53.543 1.00 25.64 O +ATOM 220 CB LEU A 45 22.906 40.744 53.539 1.00 22.89 C +ATOM 221 CG LEU A 45 24.232 40.466 52.829 1.00 25.94 C +ATOM 222 CD1 LEU A 45 25.411 40.363 53.800 1.00 22.96 C +ATOM 223 CD2 LEU A 45 24.154 39.175 52.012 1.00 25.03 C +ATOM 224 N LEU A 46 20.336 42.301 54.254 1.00 25.53 N +ATOM 225 CA LEU A 46 19.218 42.532 55.187 1.00 29.86 C +ATOM 226 C LEU A 46 17.880 42.734 54.494 1.00 32.45 C +ATOM 227 O LEU A 46 16.811 42.530 55.086 1.00 31.86 O +ATOM 228 CB LEU A 46 19.534 43.729 56.085 1.00 28.35 C +ATOM 229 CG LEU A 46 20.565 43.604 57.189 1.00 30.58 C +ATOM 230 CD1 LEU A 46 20.824 44.968 57.852 1.00 31.14 C +ATOM 231 CD2 LEU A 46 20.090 42.608 58.243 1.00 34.76 C +ATOM 232 N ALA A 47 17.899 43.009 53.188 1.00 34.42 N +ATOM 233 CA ALA A 47 16.704 43.175 52.386 1.00 35.14 C +ATOM 234 C ALA A 47 15.874 41.922 52.252 1.00 35.20 C +ATOM 235 O ALA A 47 14.643 41.969 52.052 1.00 37.04 O +ATOM 236 CB ALA A 47 17.041 43.761 51.025 1.00 37.55 C +ATOM 237 N HIS A 48 16.474 40.738 52.372 1.00 34.03 N +ATOM 238 CA HIS A 48 15.681 39.504 52.266 1.00 32.74 C +ATOM 239 C HIS A 48 15.187 39.139 53.667 1.00 35.25 C +ATOM 240 O HIS A 48 15.993 39.120 54.602 1.00 32.95 O +ATOM 241 CB HIS A 48 16.565 38.365 51.745 1.00 31.33 C +ATOM 242 CG HIS A 48 15.763 37.175 51.350 1.00 32.45 C +ATOM 243 ND1 HIS A 48 15.156 36.329 52.236 1.00 30.75 N +ATOM 244 CD2 HIS A 48 15.459 36.704 50.104 1.00 35.76 C +ATOM 245 CE1 HIS A 48 14.528 35.361 51.590 1.00 32.63 C +ATOM 246 NE2 HIS A 48 14.714 35.572 50.288 1.00 35.24 N +ATOM 247 N PRO A 49 13.923 38.784 53.797 1.00 35.51 N +ATOM 248 CA PRO A 49 13.320 38.482 55.074 1.00 34.76 C +ATOM 249 C PRO A 49 13.896 37.306 55.799 1.00 34.41 C +ATOM 250 O PRO A 49 13.807 37.260 57.040 1.00 33.71 O +ATOM 251 CB PRO A 49 11.841 38.291 54.780 1.00 37.16 C +ATOM 252 CG PRO A 49 11.730 38.137 53.321 1.00 36.82 C +ATOM 253 CD PRO A 49 12.930 38.765 52.693 1.00 38.02 C +ATOM 254 N ARG A 50 14.509 36.334 55.106 1.00 30.12 N +ATOM 255 CA ARG A 50 15.078 35.209 55.854 1.00 29.25 C +ATOM 256 C ARG A 50 16.384 35.636 56.516 1.00 25.95 C +ATOM 257 O ARG A 50 16.875 34.937 57.395 1.00 26.82 O +ATOM 258 CB ARG A 50 15.334 33.999 54.955 1.00 26.77 C +ATOM 259 CG ARG A 50 14.120 33.206 54.534 1.00 30.75 C +ATOM 260 CD ARG A 50 14.514 32.031 53.621 1.00 27.88 C +ATOM 261 NE ARG A 50 15.343 31.063 54.359 1.00 30.45 N +ATOM 262 CZ ARG A 50 15.978 30.061 53.735 1.00 29.36 C +ATOM 263 NH1 ARG A 50 16.722 29.218 54.449 1.00 26.33 N +ATOM 264 NH2 ARG A 50 15.845 29.883 52.422 1.00 30.86 N +ATOM 265 N VAL A 51 17.025 36.734 56.053 1.00 25.65 N +ATOM 266 CA VAL A 51 18.308 37.060 56.702 1.00 25.37 C +ATOM 267 C VAL A 51 18.054 37.975 57.882 1.00 25.62 C +ATOM 268 O VAL A 51 18.033 39.190 57.821 1.00 26.92 O +ATOM 269 CB VAL A 51 19.478 37.277 55.835 1.00 32.11 C +ATOM 270 CG1 VAL A 51 19.235 37.031 54.355 1.00 25.93 C +ATOM 271 CG2 VAL A 51 20.404 38.408 56.122 1.00 28.20 C +ATOM 272 N LYS A 52 17.900 37.300 59.036 1.00 25.74 N +ATOM 273 CA LYS A 52 17.513 38.027 60.260 1.00 26.48 C +ATOM 274 C LYS A 52 18.639 38.808 60.883 1.00 26.83 C +ATOM 275 O LYS A 52 18.452 39.831 61.571 1.00 26.09 O +ATOM 276 CB LYS A 52 16.968 36.995 61.237 1.00 28.86 C +ATOM 277 CG LYS A 52 15.868 36.106 60.658 1.00 32.00 C +ATOM 278 CD LYS A 52 14.566 36.856 60.488 1.00 38.78 C +ATOM 279 CE LYS A 52 13.435 35.915 60.043 1.00 37.45 C +ATOM 280 NZ LYS A 52 12.848 35.246 61.268 1.00 43.09 N +ATOM 281 N ARG A 53 19.861 38.289 60.715 1.00 25.14 N +ATOM 282 CA ARG A 53 21.010 38.957 61.341 1.00 21.90 C +ATOM 283 C ARG A 53 22.216 38.928 60.401 1.00 23.95 C +ATOM 284 O ARG A 53 22.337 38.016 59.589 1.00 24.11 O +ATOM 285 CB ARG A 53 21.424 38.092 62.573 1.00 22.11 C +ATOM 286 CG ARG A 53 20.332 37.889 63.593 1.00 22.73 C +ATOM 287 CD ARG A 53 20.801 37.000 64.789 1.00 26.41 C +ATOM 288 NE ARG A 53 22.064 37.620 65.314 1.00 24.05 N +ATOM 289 CZ ARG A 53 23.062 36.835 65.697 1.00 20.81 C +ATOM 290 NH1 ARG A 53 24.204 37.354 66.131 1.00 22.43 N +ATOM 291 NH2 ARG A 53 22.881 35.503 65.675 1.00 22.67 N +ATOM 292 N VAL A 54 23.061 39.925 60.593 1.00 22.84 N +ATOM 293 CA VAL A 54 24.317 39.986 59.850 1.00 23.78 C +ATOM 294 C VAL A 54 25.443 40.136 60.901 1.00 23.00 C +ATOM 295 O VAL A 54 25.371 41.027 61.745 1.00 25.61 O +ATOM 296 CB VAL A 54 24.394 41.156 58.880 1.00 25.85 C +ATOM 297 CG1 VAL A 54 25.804 41.197 58.265 1.00 24.88 C +ATOM 298 CG2 VAL A 54 23.370 41.040 57.759 1.00 25.49 C +ATOM 299 N VAL A 55 26.355 39.192 60.898 1.00 22.02 N +ATOM 300 CA VAL A 55 27.527 39.242 61.785 1.00 21.32 C +ATOM 301 C VAL A 55 28.688 39.845 60.980 1.00 25.02 C +ATOM 302 O VAL A 55 28.987 39.294 59.895 1.00 23.43 O +ATOM 303 CB VAL A 55 27.908 37.854 62.262 1.00 22.47 C +ATOM 304 CG1 VAL A 55 29.187 37.883 63.139 1.00 20.74 C +ATOM 305 CG2 VAL A 55 26.788 37.208 63.094 1.00 20.35 C +ATOM 306 N ILE A 56 29.282 40.922 61.422 1.00 22.60 N +ATOM 307 CA ILE A 56 30.400 41.532 60.691 1.00 25.01 C +ATOM 308 C ILE A 56 31.680 41.309 61.477 1.00 24.79 C +ATOM 309 O ILE A 56 31.716 41.560 62.700 1.00 26.00 O +ATOM 310 CB ILE A 56 30.185 43.034 60.454 1.00 22.45 C +ATOM 311 CG1 ILE A 56 28.843 43.255 59.736 1.00 21.25 C +ATOM 312 CG2 ILE A 56 31.328 43.624 59.641 1.00 23.53 C +ATOM 313 CD1 ILE A 56 28.373 44.664 59.600 1.00 25.02 C +ATOM 314 N ALA A 57 32.670 40.691 60.837 1.00 24.87 N +ATOM 315 CA ALA A 57 33.959 40.485 61.579 1.00 27.69 C +ATOM 316 C ALA A 57 34.796 41.734 61.367 1.00 31.23 C +ATOM 317 O ALA A 57 35.038 42.121 60.194 1.00 29.45 O +ATOM 318 CB ALA A 57 34.650 39.244 61.056 1.00 31.60 C +ATOM 319 N ILE A 58 35.214 42.377 62.447 1.00 29.37 N +ATOM 320 CA ILE A 58 35.972 43.630 62.354 1.00 35.32 C +ATOM 321 C ILE A 58 37.282 43.517 63.118 1.00 36.76 C +ATOM 322 O ILE A 58 37.396 42.776 64.098 1.00 36.78 O +ATOM 323 CB ILE A 58 35.112 44.751 62.980 1.00 33.86 C +ATOM 324 CG1 ILE A 58 33.930 45.103 62.062 1.00 32.10 C +ATOM 325 CG2 ILE A 58 35.902 45.983 63.333 1.00 35.74 C +ATOM 326 CD1 ILE A 58 34.309 45.509 60.657 1.00 32.50 C +ATOM 327 N SER A 59 38.328 44.169 62.613 1.00 41.28 N +ATOM 328 CA SER A 59 39.610 44.096 63.359 1.00 45.65 C +ATOM 329 C SER A 59 39.615 45.172 64.454 1.00 46.42 C +ATOM 330 O SER A 59 39.121 46.279 64.177 1.00 46.09 O +ATOM 331 CB SER A 59 40.768 44.293 62.399 1.00 51.23 C +ATOM 332 OG SER A 59 40.355 45.054 61.271 1.00 57.04 O +ATOM 333 N SER A 63 38.449 53.747 65.178 1.00 57.66 N +ATOM 334 CA SER A 63 38.424 52.916 63.976 1.00 56.69 C +ATOM 335 C SER A 63 37.224 53.263 63.094 1.00 55.37 C +ATOM 336 O SER A 63 36.149 53.586 63.601 1.00 55.52 O +ATOM 337 CB SER A 63 38.421 51.435 64.357 1.00 58.45 C +ATOM 338 OG SER A 63 38.770 50.609 63.272 1.00 59.78 O +ATOM 339 N ARG A 64 37.400 53.100 61.792 1.00 53.57 N +ATOM 340 CA ARG A 64 36.420 53.406 60.767 1.00 50.33 C +ATOM 341 C ARG A 64 35.056 52.793 60.999 1.00 48.56 C +ATOM 342 O ARG A 64 34.034 53.509 60.938 1.00 48.61 O +ATOM 343 CB AARG A 64 36.977 52.977 59.398 0.65 51.50 C +ATOM 344 CB BARG A 64 36.985 52.990 59.394 0.35 47.75 C +ATOM 345 CG AARG A 64 36.380 53.705 58.229 0.65 51.33 C +ATOM 346 CG BARG A 64 36.425 53.747 58.211 0.35 46.22 C +ATOM 347 CD AARG A 64 37.120 55.020 57.931 0.65 51.34 C +ATOM 348 CD BARG A 64 37.047 55.108 58.027 0.35 44.91 C +ATOM 349 NE AARG A 64 36.474 55.658 56.764 0.65 49.41 N +ATOM 350 NE BARG A 64 38.028 55.202 56.966 0.35 43.58 N +ATOM 351 CZ AARG A 64 35.223 56.112 56.824 0.65 50.14 C +ATOM 352 CZ BARG A 64 39.320 54.936 57.062 0.35 42.83 C +ATOM 353 NH1AARG A 64 34.658 56.673 55.764 0.65 52.22 N +ATOM 354 NH1BARG A 64 40.118 55.072 56.008 0.35 43.34 N +ATOM 355 NH2AARG A 64 34.523 56.028 57.948 0.65 49.19 N +ATOM 356 NH2BARG A 64 39.837 54.540 58.218 0.35 42.64 N +ATOM 357 N PHE A 65 34.950 51.509 61.327 1.00 48.22 N +ATOM 358 CA PHE A 65 33.670 50.866 61.546 1.00 44.45 C +ATOM 359 C PHE A 65 32.796 51.514 62.601 1.00 45.08 C +ATOM 360 O PHE A 65 31.562 51.600 62.477 1.00 44.20 O +ATOM 361 CB PHE A 65 33.862 49.375 61.924 1.00 42.26 C +ATOM 362 CG PHE A 65 32.506 48.705 62.020 1.00 41.40 C +ATOM 363 CD1 PHE A 65 31.930 48.463 63.257 1.00 40.92 C +ATOM 364 CD2 PHE A 65 31.803 48.370 60.879 1.00 36.95 C +ATOM 365 CE1 PHE A 65 30.679 47.870 63.330 1.00 40.53 C +ATOM 366 CE2 PHE A 65 30.562 47.789 60.943 1.00 37.79 C +ATOM 367 CZ PHE A 65 29.993 47.529 62.189 1.00 41.21 C +ATOM 368 N ALA A 66 33.402 51.917 63.705 1.00 46.43 N +ATOM 369 CA ALA A 66 32.683 52.542 64.798 1.00 46.39 C +ATOM 370 C ALA A 66 31.947 53.806 64.450 1.00 46.07 C +ATOM 371 O ALA A 66 30.883 54.070 65.044 1.00 47.11 O +ATOM 372 CB ALA A 66 33.625 52.753 65.981 1.00 47.78 C +ATOM 373 N GLN A 67 32.362 54.592 63.457 1.00 45.11 N +ATOM 374 CA GLN A 67 31.661 55.830 63.122 1.00 42.66 C +ATOM 375 C GLN A 67 30.407 55.597 62.313 1.00 41.33 C +ATOM 376 O GLN A 67 29.495 56.425 62.235 1.00 40.86 O +ATOM 377 CB GLN A 67 32.622 56.789 62.415 1.00 49.11 C +ATOM 378 CG GLN A 67 32.612 56.711 60.898 1.00 57.07 C +ATOM 379 CD GLN A 67 31.561 57.578 60.248 1.00 55.36 C +ATOM 380 OE1 GLN A 67 31.281 57.482 59.054 1.00 58.86 O +ATOM 381 NE2 GLN A 67 30.927 58.451 61.032 1.00 59.97 N +ATOM 382 N LEU A 68 30.303 54.418 61.692 1.00 38.03 N +ATOM 383 CA LEU A 68 29.165 54.068 60.866 1.00 34.81 C +ATOM 384 C LEU A 68 27.957 53.716 61.701 1.00 35.44 C +ATOM 385 O LEU A 68 28.119 53.213 62.817 1.00 35.64 O +ATOM 386 CB LEU A 68 29.589 52.763 60.098 1.00 35.45 C +ATOM 387 CG LEU A 68 30.442 52.942 58.863 1.00 39.16 C +ATOM 388 CD1 LEU A 68 31.737 53.678 59.100 1.00 39.58 C +ATOM 389 CD2 LEU A 68 30.738 51.546 58.234 1.00 29.74 C +ATOM 390 N PRO A 69 26.744 53.871 61.175 1.00 36.89 N +ATOM 391 CA PRO A 69 25.556 53.502 61.912 1.00 38.44 C +ATOM 392 C PRO A 69 25.332 51.999 61.991 1.00 39.85 C +ATOM 393 O PRO A 69 24.430 51.547 62.717 1.00 41.77 O +ATOM 394 CB PRO A 69 24.419 54.170 61.179 1.00 38.59 C +ATOM 395 CG PRO A 69 24.938 54.678 59.900 1.00 40.27 C +ATOM 396 CD PRO A 69 26.430 54.533 59.897 1.00 39.15 C +ATOM 397 N LEU A 70 26.123 51.187 61.288 1.00 40.27 N +ATOM 398 CA LEU A 70 25.984 49.738 61.317 1.00 39.77 C +ATOM 399 C LEU A 70 26.169 49.161 62.700 1.00 41.87 C +ATOM 400 O LEU A 70 25.499 48.207 63.112 1.00 41.16 O +ATOM 401 CB LEU A 70 27.029 49.118 60.364 1.00 40.94 C +ATOM 402 CG LEU A 70 26.566 48.593 59.017 1.00 40.79 C +ATOM 403 CD1 LEU A 70 25.239 49.115 58.560 1.00 38.43 C +ATOM 404 CD2 LEU A 70 27.662 48.791 57.974 1.00 41.77 C +ATOM 405 N ALA A 71 27.126 49.686 63.445 1.00 43.85 N +ATOM 406 CA ALA A 71 27.456 49.286 64.782 1.00 46.11 C +ATOM 407 C ALA A 71 26.266 49.216 65.729 1.00 46.25 C +ATOM 408 O ALA A 71 26.140 48.261 66.511 1.00 47.89 O +ATOM 409 CB ALA A 71 28.473 50.315 65.332 1.00 48.60 C +ATOM 410 N ASN A 72 25.347 50.161 65.630 1.00 44.89 N +ATOM 411 CA ASN A 72 24.189 50.199 66.520 1.00 43.59 C +ATOM 412 C ASN A 72 22.927 49.672 65.884 1.00 40.78 C +ATOM 413 O ASN A 72 21.841 49.842 66.450 1.00 42.52 O +ATOM 414 CB ASN A 72 23.990 51.669 66.964 1.00 48.53 C +ATOM 415 CG ASN A 72 23.792 51.817 68.451 1.00 51.18 C +ATOM 416 OD1 ASN A 72 23.366 50.900 69.162 1.00 48.06 O +ATOM 417 ND2 ASN A 72 24.123 53.003 68.980 1.00 54.95 N +ATOM 418 N HIS A 73 23.014 48.958 64.761 1.00 36.78 N +ATOM 419 CA HIS A 73 21.771 48.457 64.113 1.00 32.82 C +ATOM 420 C HIS A 73 21.284 47.263 64.905 1.00 31.94 C +ATOM 421 O HIS A 73 22.098 46.419 65.299 1.00 29.25 O +ATOM 422 CB HIS A 73 22.086 48.146 62.648 1.00 29.36 C +ATOM 423 CG HIS A 73 20.942 47.653 61.823 1.00 26.88 C +ATOM 424 ND1 HIS A 73 20.478 48.296 60.696 1.00 34.67 N +ATOM 425 CD2 HIS A 73 20.135 46.586 61.971 1.00 26.49 C +ATOM 426 CE1 HIS A 73 19.448 47.666 60.189 1.00 30.29 C +ATOM 427 NE2 HIS A 73 19.230 46.577 60.958 1.00 32.45 N +ATOM 428 N PRO A 74 19.983 47.077 65.076 1.00 30.99 N +ATOM 429 CA PRO A 74 19.453 45.970 65.849 1.00 31.29 C +ATOM 430 C PRO A 74 19.694 44.597 65.240 1.00 28.92 C +ATOM 431 O PRO A 74 19.656 43.591 65.952 1.00 26.68 O +ATOM 432 CB PRO A 74 17.966 46.271 65.964 1.00 32.85 C +ATOM 433 CG PRO A 74 17.667 47.256 64.905 1.00 33.77 C +ATOM 434 CD PRO A 74 18.928 48.049 64.685 1.00 33.62 C +ATOM 435 N GLN A 75 20.033 44.541 63.947 1.00 25.56 N +ATOM 436 CA GLN A 75 20.266 43.219 63.329 1.00 27.59 C +ATOM 437 C GLN A 75 21.726 42.933 63.112 1.00 25.36 C +ATOM 438 O GLN A 75 22.088 41.894 62.539 1.00 27.46 O +ATOM 439 CB GLN A 75 19.544 43.198 61.955 1.00 26.43 C +ATOM 440 CG GLN A 75 18.018 43.136 62.135 1.00 26.99 C +ATOM 441 CD GLN A 75 17.290 43.181 60.816 1.00 31.07 C +ATOM 442 OE1 GLN A 75 17.077 44.262 60.261 1.00 32.42 O +ATOM 443 NE2 GLN A 75 16.966 42.009 60.269 1.00 29.18 N +ATOM 444 N ILE A 76 22.594 43.860 63.531 1.00 24.81 N +ATOM 445 CA ILE A 76 24.018 43.662 63.279 1.00 25.04 C +ATOM 446 C ILE A 76 24.835 43.339 64.499 1.00 26.06 C +ATOM 447 O ILE A 76 24.966 44.162 65.420 1.00 26.18 O +ATOM 448 CB ILE A 76 24.582 44.903 62.537 1.00 29.23 C +ATOM 449 CG1 ILE A 76 23.958 44.882 61.114 1.00 33.10 C +ATOM 450 CG2 ILE A 76 26.083 44.880 62.486 1.00 29.01 C +ATOM 451 CD1 ILE A 76 24.283 46.092 60.281 1.00 41.03 C +ATOM 452 N THR A 77 25.551 42.228 64.426 1.00 21.78 N +ATOM 453 CA THR A 77 26.433 41.755 65.464 1.00 21.73 C +ATOM 454 C THR A 77 27.884 41.925 65.008 1.00 25.16 C +ATOM 455 O THR A 77 28.167 41.711 63.808 1.00 23.61 O +ATOM 456 CB THR A 77 26.160 40.260 65.765 1.00 21.67 C +ATOM 457 OG1 THR A 77 24.954 40.100 66.504 1.00 22.50 O +ATOM 458 CG2 THR A 77 27.297 39.604 66.526 1.00 21.10 C +ATOM 459 N VAL A 78 28.761 42.263 65.924 1.00 23.17 N +ATOM 460 CA VAL A 78 30.184 42.383 65.634 1.00 25.78 C +ATOM 461 C VAL A 78 30.966 41.288 66.366 1.00 26.99 C +ATOM 462 O VAL A 78 30.710 40.906 67.525 1.00 26.64 O +ATOM 463 CB VAL A 78 30.729 43.742 66.090 1.00 25.50 C +ATOM 464 CG1 VAL A 78 32.241 43.854 65.820 1.00 31.63 C +ATOM 465 CG2 VAL A 78 29.993 44.878 65.425 1.00 28.75 C +ATOM 466 N VAL A 79 31.952 40.715 65.674 1.00 26.09 N +ATOM 467 CA VAL A 79 32.840 39.726 66.237 1.00 26.49 C +ATOM 468 C VAL A 79 34.267 40.155 65.835 1.00 27.89 C +ATOM 469 O VAL A 79 34.371 41.015 64.970 1.00 25.15 O +ATOM 470 CB VAL A 79 32.625 38.272 65.792 1.00 28.14 C +ATOM 471 CG1 VAL A 79 31.243 37.789 66.197 1.00 24.90 C +ATOM 472 CG2 VAL A 79 32.855 38.157 64.287 1.00 22.79 C +ATOM 473 N ASP A 80 35.279 39.611 66.477 1.00 29.65 N +ATOM 474 CA ASP A 80 36.631 40.067 66.067 1.00 31.97 C +ATOM 475 C ASP A 80 37.047 39.321 64.796 1.00 33.66 C +ATOM 476 O ASP A 80 36.843 38.114 64.732 1.00 32.92 O +ATOM 477 CB ASP A 80 37.632 39.728 67.168 1.00 33.10 C +ATOM 478 CG ASP A 80 37.473 40.566 68.414 1.00 31.43 C +ATOM 479 OD1 ASP A 80 36.713 41.543 68.446 1.00 34.76 O +ATOM 480 OD2 ASP A 80 38.167 40.244 69.406 1.00 32.77 O +ATOM 481 N GLY A 81 37.706 40.020 63.887 1.00 35.85 N +ATOM 482 CA GLY A 81 38.201 39.362 62.663 1.00 39.84 C +ATOM 483 C GLY A 81 39.473 38.599 63.030 1.00 43.62 C +ATOM 484 O GLY A 81 40.054 38.883 64.080 1.00 43.88 O +ATOM 485 N GLY A 82 39.909 37.632 62.217 1.00 44.95 N +ATOM 486 CA GLY A 82 41.131 36.900 62.576 1.00 47.90 C +ATOM 487 C GLY A 82 42.234 37.079 61.534 1.00 49.12 C +ATOM 488 O GLY A 82 42.155 37.902 60.628 1.00 48.21 O +ATOM 489 N ASP A 83 43.282 36.256 61.677 1.00 49.15 N +ATOM 490 CA ASP A 83 44.418 36.309 60.767 1.00 50.02 C +ATOM 491 C ASP A 83 43.985 36.255 59.314 1.00 50.75 C +ATOM 492 O ASP A 83 44.452 37.088 58.522 1.00 51.23 O +ATOM 493 CB ASP A 83 45.438 35.226 61.104 1.00 50.90 C +ATOM 494 N GLU A 84 43.116 35.332 58.908 1.00 48.34 N +ATOM 495 CA GLU A 84 42.714 35.358 57.485 1.00 46.85 C +ATOM 496 C GLU A 84 41.205 35.350 57.358 1.00 45.32 C +ATOM 497 O GLU A 84 40.510 35.231 58.379 1.00 45.31 O +ATOM 498 CB GLU A 84 43.363 34.206 56.747 1.00 52.18 C +ATOM 499 CG GLU A 84 43.023 32.822 57.278 1.00 56.58 C +ATOM 500 CD GLU A 84 43.702 31.724 56.472 1.00 60.94 C +ATOM 501 OE1 GLU A 84 44.823 31.318 56.862 1.00 60.57 O +ATOM 502 OE2 GLU A 84 43.128 31.271 55.454 1.00 61.43 O +ATOM 503 N ARG A 85 40.685 35.486 56.143 1.00 42.50 N +ATOM 504 CA ARG A 85 39.247 35.448 55.913 1.00 39.41 C +ATOM 505 C ARG A 85 38.628 34.254 56.636 1.00 37.36 C +ATOM 506 O ARG A 85 37.637 34.403 57.346 1.00 34.16 O +ATOM 507 CB ARG A 85 38.922 35.366 54.416 1.00 39.80 C +ATOM 508 CG ARG A 85 37.435 35.333 54.109 1.00 40.28 C +ATOM 509 CD ARG A 85 37.087 34.671 52.791 1.00 39.27 C +ATOM 510 NE ARG A 85 35.676 34.781 52.443 1.00 39.66 N +ATOM 511 CZ ARG A 85 35.055 35.856 52.009 1.00 40.73 C +ATOM 512 NH1 ARG A 85 35.720 37.010 51.845 1.00 43.93 N +ATOM 513 NH2 ARG A 85 33.748 35.832 51.738 1.00 42.93 N +ATOM 514 N ALA A 86 39.190 33.054 56.467 1.00 35.82 N +ATOM 515 CA ALA A 86 38.667 31.863 57.099 1.00 36.89 C +ATOM 516 C ALA A 86 38.487 31.994 58.598 1.00 35.67 C +ATOM 517 O ALA A 86 37.436 31.612 59.130 1.00 34.53 O +ATOM 518 CB ALA A 86 39.529 30.632 56.796 1.00 40.12 C +ATOM 519 N ASP A 87 39.495 32.522 59.299 1.00 35.57 N +ATOM 520 CA ASP A 87 39.383 32.674 60.746 1.00 34.30 C +ATOM 521 C ASP A 87 38.214 33.594 61.086 1.00 31.58 C +ATOM 522 O ASP A 87 37.482 33.321 62.035 1.00 31.09 O +ATOM 523 CB ASP A 87 40.653 33.243 61.378 1.00 42.89 C +ATOM 524 CG ASP A 87 41.826 32.295 61.264 1.00 45.22 C +ATOM 525 OD1 ASP A 87 41.849 31.313 62.037 1.00 48.24 O +ATOM 526 OD2 ASP A 87 42.689 32.518 60.395 1.00 49.52 O +ATOM 527 N SER A 88 38.067 34.666 60.305 1.00 30.35 N +ATOM 528 CA SER A 88 36.990 35.614 60.518 1.00 28.06 C +ATOM 529 C SER A 88 35.624 34.953 60.375 1.00 26.84 C +ATOM 530 O SER A 88 34.664 35.251 61.105 1.00 22.79 O +ATOM 531 CB SER A 88 37.069 36.753 59.460 1.00 33.20 C +ATOM 532 OG SER A 88 38.046 37.684 59.840 1.00 39.02 O +ATOM 533 N VAL A 89 35.487 34.137 59.323 1.00 23.93 N +ATOM 534 CA VAL A 89 34.206 33.444 59.120 1.00 23.79 C +ATOM 535 C VAL A 89 33.882 32.542 60.278 1.00 23.63 C +ATOM 536 O VAL A 89 32.746 32.449 60.778 1.00 23.03 O +ATOM 537 CB VAL A 89 34.240 32.676 57.778 1.00 25.54 C +ATOM 538 CG1 VAL A 89 32.901 31.967 57.581 1.00 23.82 C +ATOM 539 CG2 VAL A 89 34.468 33.648 56.628 1.00 26.79 C +ATOM 540 N LEU A 90 34.857 31.768 60.779 1.00 23.72 N +ATOM 541 CA LEU A 90 34.573 30.896 61.936 1.00 24.56 C +ATOM 542 C LEU A 90 34.129 31.718 63.139 1.00 25.47 C +ATOM 543 O LEU A 90 33.290 31.267 63.927 1.00 25.04 O +ATOM 544 CB LEU A 90 35.834 30.094 62.279 1.00 28.73 C +ATOM 545 CG LEU A 90 36.150 28.932 61.354 1.00 30.96 C +ATOM 546 CD1 LEU A 90 37.494 28.315 61.696 1.00 28.66 C +ATOM 547 CD2 LEU A 90 35.044 27.878 61.448 1.00 28.16 C +ATOM 548 N ALA A 91 34.731 32.913 63.299 1.00 23.87 N +ATOM 549 CA ALA A 91 34.301 33.762 64.444 1.00 24.82 C +ATOM 550 C ALA A 91 32.870 34.192 64.254 1.00 22.37 C +ATOM 551 O ALA A 91 32.046 34.186 65.186 1.00 24.97 O +ATOM 552 CB ALA A 91 35.276 34.936 64.565 1.00 26.75 C +ATOM 553 N GLY A 92 32.482 34.481 63.015 1.00 22.60 N +ATOM 554 CA GLY A 92 31.111 34.837 62.660 1.00 23.98 C +ATOM 555 C GLY A 92 30.192 33.652 62.921 1.00 23.90 C +ATOM 556 O GLY A 92 29.063 33.820 63.405 1.00 23.49 O +ATOM 557 N LEU A 93 30.661 32.414 62.644 1.00 23.81 N +ATOM 558 CA LEU A 93 29.816 31.243 62.928 1.00 22.25 C +ATOM 559 C LEU A 93 29.573 31.082 64.428 1.00 23.12 C +ATOM 560 O LEU A 93 28.499 30.668 64.856 1.00 24.82 O +ATOM 561 CB LEU A 93 30.518 29.967 62.433 1.00 24.64 C +ATOM 562 CG LEU A 93 30.694 29.884 60.919 1.00 22.19 C +ATOM 563 CD1 LEU A 93 31.191 28.462 60.549 1.00 26.97 C +ATOM 564 CD2 LEU A 93 29.419 30.195 60.174 1.00 26.64 C +ATOM 565 N LYS A 94 30.531 31.466 65.243 1.00 21.18 N +ATOM 566 CA LYS A 94 30.365 31.371 66.696 1.00 21.64 C +ATOM 567 C LYS A 94 29.261 32.330 67.147 1.00 23.52 C +ATOM 568 O LYS A 94 28.738 32.162 68.269 1.00 24.26 O +ATOM 569 CB LYS A 94 31.645 31.712 67.440 1.00 27.21 C +ATOM 570 CG LYS A 94 32.624 30.541 67.495 1.00 32.58 C +ATOM 571 CD LYS A 94 33.947 30.998 68.098 1.00 36.17 C +ATOM 572 CE LYS A 94 34.871 29.791 68.290 1.00 42.38 C +ATOM 573 NZ LYS A 94 36.116 30.202 69.009 1.00 40.37 N +ATOM 574 N ALA A 95 28.942 33.329 66.349 1.00 21.86 N +ATOM 575 CA ALA A 95 27.910 34.284 66.694 1.00 23.27 C +ATOM 576 C ALA A 95 26.602 34.006 65.975 1.00 25.03 C +ATOM 577 O ALA A 95 25.644 34.770 66.172 1.00 24.90 O +ATOM 578 CB ALA A 95 28.340 35.712 66.311 1.00 22.29 C +ATOM 579 N ALA A 96 26.520 32.895 65.219 1.00 23.15 N +ATOM 580 CA ALA A 96 25.331 32.627 64.462 1.00 22.47 C +ATOM 581 C ALA A 96 24.134 32.094 65.178 1.00 24.55 C +ATOM 582 O ALA A 96 23.091 31.800 64.538 1.00 24.74 O +ATOM 583 CB ALA A 96 25.647 31.806 63.210 1.00 22.32 C +ATOM 584 N GLY A 97 24.174 31.887 66.498 1.00 24.38 N +ATOM 585 CA GLY A 97 22.944 31.415 67.152 1.00 26.16 C +ATOM 586 C GLY A 97 22.517 30.036 66.684 1.00 25.27 C +ATOM 587 O GLY A 97 23.339 29.142 66.447 1.00 26.01 O +ATOM 588 N ASP A 98 21.212 29.874 66.476 1.00 25.62 N +ATOM 589 CA ASP A 98 20.679 28.569 66.076 1.00 26.75 C +ATOM 590 C ASP A 98 20.509 28.462 64.564 1.00 28.19 C +ATOM 591 O ASP A 98 19.972 27.457 64.102 1.00 27.97 O +ATOM 592 CB AASP A 98 19.355 28.290 66.782 0.65 32.50 C +ATOM 593 CB BASP A 98 19.343 28.286 66.761 0.35 27.94 C +ATOM 594 CG AASP A 98 18.382 29.448 66.723 0.65 37.09 C +ATOM 595 CG BASP A 98 19.467 27.991 68.236 0.35 27.94 C +ATOM 596 OD1AASP A 98 18.528 30.353 65.867 0.65 42.60 O +ATOM 597 OD1BASP A 98 19.090 28.855 69.058 0.35 32.46 O +ATOM 598 OD2AASP A 98 17.440 29.473 67.548 0.65 41.23 O +ATOM 599 OD2BASP A 98 19.965 26.911 68.593 0.35 31.30 O +ATOM 600 N ALA A 99 21.034 29.464 63.842 1.00 24.61 N +ATOM 601 CA ALA A 99 20.951 29.441 62.396 1.00 26.67 C +ATOM 602 C ALA A 99 21.398 28.098 61.829 1.00 25.11 C +ATOM 603 O ALA A 99 22.565 27.712 61.922 1.00 26.53 O +ATOM 604 CB ALA A 99 21.818 30.552 61.792 1.00 26.58 C +ATOM 605 N GLN A 100 20.533 27.514 60.998 1.00 23.03 N +ATOM 606 CA GLN A 100 20.900 26.235 60.389 1.00 22.02 C +ATOM 607 C GLN A 100 21.682 26.435 59.087 1.00 22.91 C +ATOM 608 O GLN A 100 22.358 25.502 58.651 1.00 24.72 O +ATOM 609 CB GLN A 100 19.663 25.384 60.124 1.00 30.15 C +ATOM 610 CG GLN A 100 18.945 25.030 61.444 1.00 36.65 C +ATOM 611 CD GLN A 100 18.636 23.529 61.386 1.00 45.83 C +ATOM 612 OE1 GLN A 100 17.719 23.162 60.668 1.00 48.20 O +ATOM 613 NE2 GLN A 100 19.468 22.750 62.055 1.00 51.03 N +ATOM 614 N TRP A 101 21.489 27.581 58.460 1.00 21.97 N +ATOM 615 CA TRP A 101 22.175 27.897 57.187 1.00 23.51 C +ATOM 616 C TRP A 101 22.838 29.252 57.369 1.00 24.18 C +ATOM 617 O TRP A 101 22.304 30.129 58.073 1.00 23.01 O +ATOM 618 CB TRP A 101 21.158 27.947 56.040 1.00 20.73 C +ATOM 619 CG TRP A 101 20.854 26.583 55.491 1.00 22.81 C +ATOM 620 CD1 TRP A 101 20.007 25.655 56.036 1.00 28.93 C +ATOM 621 CD2 TRP A 101 21.342 26.022 54.276 1.00 23.23 C +ATOM 622 NE1 TRP A 101 19.985 24.518 55.254 1.00 26.48 N +ATOM 623 CE2 TRP A 101 20.790 24.728 54.156 1.00 29.75 C +ATOM 624 CE3 TRP A 101 22.211 26.468 53.274 1.00 25.68 C +ATOM 625 CZ2 TRP A 101 21.072 23.887 53.095 1.00 30.65 C +ATOM 626 CZ3 TRP A 101 22.516 25.609 52.229 1.00 27.13 C +ATOM 627 CH2 TRP A 101 21.928 24.344 52.123 1.00 26.54 C +ATOM 628 N VAL A 102 24.024 29.441 56.774 1.00 20.53 N +ATOM 629 CA VAL A 102 24.729 30.694 56.870 1.00 20.32 C +ATOM 630 C VAL A 102 25.075 31.249 55.471 1.00 21.61 C +ATOM 631 O VAL A 102 25.533 30.474 54.635 1.00 20.93 O +ATOM 632 CB VAL A 102 26.047 30.543 57.647 1.00 20.62 C +ATOM 633 CG1 VAL A 102 26.791 31.878 57.689 1.00 25.61 C +ATOM 634 CG2 VAL A 102 25.697 30.152 59.118 1.00 26.36 C +ATOM 635 N LEU A 103 24.928 32.531 55.328 1.00 21.39 N +ATOM 636 CA LEU A 103 25.267 33.260 54.093 1.00 24.76 C +ATOM 637 C LEU A 103 26.588 34.008 54.296 1.00 23.90 C +ATOM 638 O LEU A 103 26.556 34.991 55.060 1.00 28.06 O +ATOM 639 CB LEU A 103 24.183 34.307 53.877 1.00 26.90 C +ATOM 640 CG LEU A 103 23.128 34.380 52.864 1.00 34.74 C +ATOM 641 CD1 LEU A 103 22.588 35.827 52.721 1.00 29.16 C +ATOM 642 CD2 LEU A 103 23.472 33.849 51.476 1.00 24.33 C +ATOM 643 N VAL A 104 27.646 33.744 53.554 1.00 21.69 N +ATOM 644 CA VAL A 104 28.910 34.533 53.732 1.00 17.53 C +ATOM 645 C VAL A 104 29.063 35.451 52.530 1.00 19.38 C +ATOM 646 O VAL A 104 28.903 34.976 51.363 1.00 20.16 O +ATOM 647 CB VAL A 104 30.101 33.584 53.829 1.00 19.57 C +ATOM 648 CG1 VAL A 104 31.363 34.369 54.192 1.00 22.84 C +ATOM 649 CG2 VAL A 104 29.830 32.484 54.861 1.00 22.39 C +ATOM 650 N HIS A 105 29.254 36.743 52.758 1.00 20.50 N +ATOM 651 CA HIS A 105 29.300 37.697 51.627 1.00 20.91 C +ATOM 652 C HIS A 105 30.391 38.722 51.823 1.00 24.63 C +ATOM 653 O HIS A 105 30.677 39.200 52.918 1.00 24.22 O +ATOM 654 CB HIS A 105 27.902 38.374 51.545 1.00 21.40 C +ATOM 655 CG HIS A 105 27.780 39.398 50.469 1.00 23.75 C +ATOM 656 ND1 HIS A 105 27.881 39.063 49.123 1.00 20.51 N +ATOM 657 CD2 HIS A 105 27.592 40.740 50.520 1.00 21.81 C +ATOM 658 CE1 HIS A 105 27.758 40.150 48.392 1.00 26.10 C +ATOM 659 NE2 HIS A 105 27.559 41.175 49.198 1.00 24.91 N +ATOM 660 N ASP A 106 31.021 39.108 50.707 1.00 21.56 N +ATOM 661 CA ASP A 106 32.082 40.079 50.693 1.00 25.75 C +ATOM 662 C ASP A 106 31.574 41.474 51.123 1.00 23.88 C +ATOM 663 O ASP A 106 30.577 41.975 50.609 1.00 25.66 O +ATOM 664 CB ASP A 106 32.628 40.229 49.249 1.00 27.93 C +ATOM 665 CG ASP A 106 33.420 39.012 48.833 1.00 32.78 C +ATOM 666 OD1 ASP A 106 33.675 38.850 47.611 1.00 33.44 O +ATOM 667 OD2 ASP A 106 33.790 38.210 49.726 1.00 31.10 O +ATOM 668 N ALA A 107 32.397 42.112 51.928 1.00 26.43 N +ATOM 669 CA ALA A 107 32.075 43.469 52.402 1.00 28.12 C +ATOM 670 C ALA A 107 32.184 44.456 51.229 1.00 29.29 C +ATOM 671 O ALA A 107 31.581 45.517 51.281 1.00 26.71 O +ATOM 672 CB ALA A 107 33.088 43.885 53.454 1.00 27.91 C +ATOM 673 N ALA A 108 32.934 44.075 50.192 1.00 27.93 N +ATOM 674 CA ALA A 108 33.150 44.957 49.061 1.00 28.77 C +ATOM 675 C ALA A 108 32.347 44.624 47.833 1.00 29.53 C +ATOM 676 O ALA A 108 32.639 45.063 46.710 1.00 29.43 O +ATOM 677 CB ALA A 108 34.668 45.047 48.790 1.00 30.74 C +ATOM 678 N ARG A 109 31.174 43.999 48.039 1.00 26.43 N +ATOM 679 CA ARG A 109 30.267 43.699 46.910 1.00 24.83 C +ATOM 680 C ARG A 109 28.950 44.405 47.244 1.00 26.57 C +ATOM 681 O ARG A 109 28.085 43.790 47.840 1.00 28.75 O +ATOM 682 CB ARG A 109 30.035 42.201 46.779 1.00 24.52 C +ATOM 683 CG ARG A 109 31.190 41.436 46.104 1.00 27.71 C +ATOM 684 CD ARG A 109 30.771 39.949 45.866 1.00 29.48 C +ATOM 685 NE ARG A 109 31.982 39.269 45.309 1.00 28.24 N +ATOM 686 CZ ARG A 109 32.279 39.227 44.025 1.00 29.66 C +ATOM 687 NH1 ARG A 109 31.508 39.766 43.102 1.00 30.23 N +ATOM 688 NH2 ARG A 109 33.408 38.661 43.606 1.00 25.61 N +ATOM 689 N PRO A 110 28.793 45.660 46.816 1.00 25.98 N +ATOM 690 CA PRO A 110 27.603 46.433 47.085 1.00 27.72 C +ATOM 691 C PRO A 110 26.413 46.209 46.246 1.00 28.45 C +ATOM 692 O PRO A 110 25.293 46.665 46.552 1.00 29.75 O +ATOM 693 CB PRO A 110 28.138 47.899 46.870 1.00 26.65 C +ATOM 694 CG PRO A 110 29.068 47.705 45.689 1.00 26.24 C +ATOM 695 CD PRO A 110 29.799 46.392 46.015 1.00 25.99 C +ATOM 696 N CYS A 111 26.572 45.527 45.091 1.00 27.82 N +ATOM 697 CA CYS A 111 25.533 45.324 44.148 1.00 27.58 C +ATOM 698 C CYS A 111 25.051 43.874 44.139 1.00 31.74 C +ATOM 699 O CYS A 111 25.737 42.984 43.573 1.00 34.08 O +ATOM 700 CB CYS A 111 25.997 45.662 42.694 1.00 29.83 C +ATOM 701 SG ACYS A 111 26.887 47.227 42.551 0.65 32.01 S +ATOM 702 SG BCYS A 111 24.573 45.688 41.579 0.35 23.10 S +ATOM 703 N LEU A 112 23.994 43.614 44.835 1.00 30.59 N +ATOM 704 CA LEU A 112 23.414 42.264 44.909 1.00 29.51 C +ATOM 705 C LEU A 112 21.924 42.467 44.619 1.00 31.97 C +ATOM 706 O LEU A 112 21.368 43.364 45.302 1.00 33.47 O +ATOM 707 CB LEU A 112 23.602 41.731 46.336 1.00 26.53 C +ATOM 708 CG LEU A 112 23.314 40.298 46.652 1.00 31.65 C +ATOM 709 CD1 LEU A 112 23.534 39.968 48.137 1.00 23.57 C +ATOM 710 CD2 LEU A 112 21.923 39.852 46.250 1.00 38.95 C +ATOM 711 N HIS A 113 21.338 41.729 43.720 1.00 30.78 N +ATOM 712 CA HIS A 113 19.895 41.867 43.453 1.00 33.82 C +ATOM 713 C HIS A 113 19.109 40.861 44.291 1.00 33.33 C +ATOM 714 O HIS A 113 19.556 39.727 44.492 1.00 31.84 O +ATOM 715 CB HIS A 113 19.596 41.609 41.994 1.00 35.99 C +ATOM 716 CG HIS A 113 20.083 42.615 41.014 1.00 40.10 C +ATOM 717 ND1 HIS A 113 19.233 43.120 40.030 1.00 43.33 N +ATOM 718 CD2 HIS A 113 21.283 43.181 40.806 1.00 41.86 C +ATOM 719 CE1 HIS A 113 19.915 43.953 39.267 1.00 44.18 C +ATOM 720 NE2 HIS A 113 21.152 44.026 39.722 1.00 44.23 N +ATOM 721 N GLN A 114 17.894 41.231 44.716 1.00 30.19 N +ATOM 722 CA GLN A 114 17.112 40.324 45.529 1.00 32.53 C +ATOM 723 C GLN A 114 16.710 39.060 44.837 1.00 29.96 C +ATOM 724 O GLN A 114 16.685 38.006 45.470 1.00 31.61 O +ATOM 725 CB GLN A 114 15.879 41.041 46.134 1.00 33.68 C +ATOM 726 CG GLN A 114 16.293 42.162 47.078 1.00 38.68 C +ATOM 727 CD GLN A 114 17.195 41.647 48.195 1.00 35.56 C +ATOM 728 OE1 GLN A 114 16.765 40.769 48.941 1.00 39.49 O +ATOM 729 NE2 GLN A 114 18.398 42.208 48.300 1.00 31.94 N +ATOM 730 N ASP A 115 16.413 39.086 43.530 1.00 30.78 N +ATOM 731 CA ASP A 115 16.042 37.867 42.852 1.00 29.91 C +ATOM 732 C ASP A 115 17.220 36.869 42.842 1.00 27.64 C +ATOM 733 O ASP A 115 16.958 35.693 43.047 1.00 28.56 O +ATOM 734 CB ASP A 115 15.473 38.070 41.470 1.00 33.76 C +ATOM 735 CG ASP A 115 16.394 38.817 40.536 1.00 38.18 C +ATOM 736 OD1 ASP A 115 17.495 39.240 40.963 1.00 35.10 O +ATOM 737 OD2 ASP A 115 15.989 38.996 39.358 1.00 43.48 O +ATOM 738 N ASP A 116 18.441 37.341 42.656 1.00 28.88 N +ATOM 739 CA ASP A 116 19.588 36.406 42.689 1.00 30.41 C +ATOM 740 C ASP A 116 19.772 35.919 44.126 1.00 30.06 C +ATOM 741 O ASP A 116 19.991 34.733 44.382 1.00 29.87 O +ATOM 742 CB ASP A 116 20.849 37.074 42.180 1.00 28.03 C +ATOM 743 CG ASP A 116 20.815 37.378 40.683 1.00 29.03 C +ATOM 744 OD1 ASP A 116 20.128 36.674 39.943 1.00 30.96 O +ATOM 745 OD2 ASP A 116 21.502 38.329 40.274 1.00 33.03 O +ATOM 746 N LEU A 117 19.665 36.834 45.106 1.00 28.54 N +ATOM 747 CA LEU A 117 19.789 36.339 46.503 1.00 29.01 C +ATOM 748 C LEU A 117 18.721 35.301 46.799 1.00 29.27 C +ATOM 749 O LEU A 117 18.994 34.238 47.375 1.00 28.99 O +ATOM 750 CB LEU A 117 19.717 37.532 47.472 1.00 28.95 C +ATOM 751 CG LEU A 117 19.721 37.218 48.954 1.00 28.48 C +ATOM 752 CD1 LEU A 117 20.977 36.382 49.328 1.00 29.57 C +ATOM 753 CD2 LEU A 117 19.749 38.500 49.803 1.00 26.56 C +ATOM 754 N ALA A 118 17.452 35.533 46.390 1.00 29.10 N +ATOM 755 CA ALA A 118 16.377 34.602 46.650 1.00 29.20 C +ATOM 756 C ALA A 118 16.654 33.233 46.030 1.00 30.33 C +ATOM 757 O ALA A 118 16.377 32.197 46.649 1.00 28.31 O +ATOM 758 CB ALA A 118 15.028 35.121 46.138 1.00 31.74 C +ATOM 759 N ARG A 119 17.181 33.243 44.801 1.00 28.44 N +ATOM 760 CA ARG A 119 17.499 31.995 44.130 1.00 27.14 C +ATOM 761 C ARG A 119 18.578 31.209 44.856 1.00 26.66 C +ATOM 762 O ARG A 119 18.496 29.989 44.956 1.00 25.38 O +ATOM 763 CB ARG A 119 17.839 32.244 42.645 1.00 28.29 C +ATOM 764 CG ARG A 119 16.634 31.877 41.797 1.00 37.93 C +ATOM 765 CD ARG A 119 16.467 32.597 40.497 1.00 42.52 C +ATOM 766 NE ARG A 119 17.513 33.495 40.130 1.00 40.25 N +ATOM 767 CZ ARG A 119 18.727 33.288 39.704 1.00 39.82 C +ATOM 768 NH1 ARG A 119 19.523 34.338 39.462 1.00 34.87 N +ATOM 769 NH2 ARG A 119 19.170 32.049 39.505 1.00 44.87 N +ATOM 770 N LEU A 120 19.565 31.875 45.408 1.00 24.78 N +ATOM 771 CA LEU A 120 20.610 31.195 46.188 1.00 23.39 C +ATOM 772 C LEU A 120 20.024 30.615 47.458 1.00 24.51 C +ATOM 773 O LEU A 120 20.234 29.443 47.820 1.00 21.71 O +ATOM 774 CB LEU A 120 21.718 32.192 46.504 1.00 23.34 C +ATOM 775 CG LEU A 120 22.864 31.627 47.389 1.00 22.41 C +ATOM 776 CD1 LEU A 120 23.628 30.572 46.581 1.00 24.74 C +ATOM 777 CD2 LEU A 120 23.785 32.726 47.841 1.00 23.09 C +ATOM 778 N LEU A 121 19.198 31.430 48.149 1.00 23.28 N +ATOM 779 CA LEU A 121 18.603 30.977 49.399 1.00 24.52 C +ATOM 780 C LEU A 121 17.707 29.767 49.226 1.00 26.29 C +ATOM 781 O LEU A 121 17.547 28.938 50.132 1.00 24.53 O +ATOM 782 CB LEU A 121 17.846 32.131 50.054 1.00 24.56 C +ATOM 783 CG LEU A 121 18.695 33.277 50.598 1.00 26.78 C +ATOM 784 CD1 LEU A 121 17.762 34.357 51.167 1.00 26.72 C +ATOM 785 CD2 LEU A 121 19.651 32.813 51.685 1.00 28.52 C +ATOM 786 N ALA A 122 17.128 29.608 48.044 1.00 25.12 N +ATOM 787 CA ALA A 122 16.278 28.469 47.727 1.00 27.69 C +ATOM 788 C ALA A 122 17.000 27.138 47.831 1.00 27.63 C +ATOM 789 O ALA A 122 16.393 26.094 48.097 1.00 29.99 O +ATOM 790 CB ALA A 122 15.701 28.651 46.317 1.00 25.47 C +ATOM 791 N LEU A 123 18.352 27.137 47.808 1.00 26.83 N +ATOM 792 CA LEU A 123 19.105 25.921 47.938 1.00 24.45 C +ATOM 793 C LEU A 123 18.837 25.155 49.219 1.00 25.50 C +ATOM 794 O LEU A 123 19.110 23.957 49.249 1.00 23.84 O +ATOM 795 CB LEU A 123 20.632 26.139 47.842 1.00 25.42 C +ATOM 796 CG LEU A 123 21.117 26.554 46.438 1.00 26.30 C +ATOM 797 CD1 LEU A 123 22.646 26.697 46.433 1.00 25.65 C +ATOM 798 CD2 LEU A 123 20.676 25.533 45.397 1.00 33.97 C +ATOM 799 N SER A 124 18.421 25.820 50.294 1.00 25.92 N +ATOM 800 CA SER A 124 18.215 25.160 51.559 1.00 28.40 C +ATOM 801 C SER A 124 17.098 24.132 51.511 1.00 30.18 C +ATOM 802 O SER A 124 17.097 23.202 52.326 1.00 29.68 O +ATOM 803 CB SER A 124 18.054 26.111 52.735 1.00 30.67 C +ATOM 804 OG SER A 124 16.939 26.950 52.644 1.00 31.44 O +ATOM 805 N GLU A 125 16.222 24.274 50.537 1.00 30.94 N +ATOM 806 CA GLU A 125 15.099 23.417 50.295 1.00 33.92 C +ATOM 807 C GLU A 125 15.477 22.147 49.561 1.00 34.04 C +ATOM 808 O GLU A 125 14.806 21.129 49.730 1.00 31.39 O +ATOM 809 CB GLU A 125 14.025 24.138 49.435 1.00 36.96 C +ATOM 810 CG GLU A 125 13.503 25.428 50.045 1.00 45.60 C +ATOM 811 CD GLU A 125 13.258 25.339 51.536 1.00 51.79 C +ATOM 812 OE1 GLU A 125 12.361 24.569 51.946 1.00 56.78 O +ATOM 813 OE2 GLU A 125 13.979 26.005 52.315 1.00 54.15 O +ATOM 814 N THR A 126 16.586 22.174 48.810 1.00 32.50 N +ATOM 815 CA THR A 126 16.970 21.025 48.023 1.00 32.59 C +ATOM 816 C THR A 126 18.394 20.537 48.191 1.00 32.30 C +ATOM 817 O THR A 126 18.711 19.493 47.580 1.00 33.17 O +ATOM 818 CB THR A 126 16.896 21.424 46.492 1.00 35.78 C +ATOM 819 OG1 THR A 126 17.738 22.585 46.329 1.00 35.64 O +ATOM 820 CG2 THR A 126 15.487 21.762 46.073 1.00 39.86 C +ATOM 821 N SER A 127 19.285 21.267 48.827 1.00 29.05 N +ATOM 822 CA SER A 127 20.687 20.844 48.872 1.00 27.94 C +ATOM 823 C SER A 127 21.194 20.480 50.234 1.00 28.29 C +ATOM 824 O SER A 127 20.795 21.057 51.264 1.00 27.46 O +ATOM 825 CB SER A 127 21.549 22.066 48.386 1.00 27.13 C +ATOM 826 OG SER A 127 22.921 21.709 48.398 1.00 28.15 O +ATOM 827 N ARG A 128 22.171 19.556 50.260 1.00 26.49 N +ATOM 828 CA ARG A 128 22.796 19.241 51.545 1.00 28.37 C +ATOM 829 C ARG A 128 24.167 19.930 51.621 1.00 27.58 C +ATOM 830 O ARG A 128 24.846 19.771 52.619 1.00 27.35 O +ATOM 831 CB ARG A 128 23.035 17.746 51.721 1.00 30.68 C +ATOM 832 CG ARG A 128 21.817 16.921 52.048 1.00 33.73 C +ATOM 833 CD ARG A 128 22.299 15.524 52.520 1.00 39.64 C +ATOM 834 NE ARG A 128 21.171 14.689 52.911 1.00 44.15 N +ATOM 835 CZ ARG A 128 20.438 14.841 54.005 1.00 41.01 C +ATOM 836 NH1 ARG A 128 19.434 13.994 54.237 1.00 38.78 N +ATOM 837 NH2 ARG A 128 20.707 15.798 54.875 1.00 41.14 N +ATOM 838 N THR A 129 24.602 20.507 50.482 1.00 25.41 N +ATOM 839 CA THR A 129 25.939 21.117 50.466 1.00 23.74 C +ATOM 840 C THR A 129 25.905 22.626 50.396 1.00 23.59 C +ATOM 841 O THR A 129 26.863 23.282 50.867 1.00 25.67 O +ATOM 842 CB THR A 129 26.692 20.559 49.207 1.00 28.80 C +ATOM 843 OG1 THR A 129 26.695 19.124 49.306 1.00 31.86 O +ATOM 844 CG2 THR A 129 28.142 21.004 49.176 1.00 29.22 C +ATOM 845 N GLY A 130 24.916 23.230 49.785 1.00 21.39 N +ATOM 846 CA GLY A 130 24.887 24.689 49.646 1.00 18.52 C +ATOM 847 C GLY A 130 25.428 25.013 48.228 1.00 21.30 C +ATOM 848 O GLY A 130 25.461 24.148 47.357 1.00 19.71 O +ATOM 849 N GLY A 131 25.791 26.281 48.054 1.00 19.37 N +ATOM 850 CA GLY A 131 26.232 26.748 46.744 1.00 20.41 C +ATOM 851 C GLY A 131 26.584 28.240 46.792 1.00 20.20 C +ATOM 852 O GLY A 131 26.577 28.889 47.847 1.00 19.39 O +ATOM 853 N ILE A 132 27.003 28.742 45.628 1.00 18.89 N +ATOM 854 CA ILE A 132 27.427 30.114 45.465 1.00 18.62 C +ATOM 855 C ILE A 132 26.801 30.764 44.222 1.00 19.94 C +ATOM 856 O ILE A 132 26.436 30.058 43.288 1.00 19.68 O +ATOM 857 CB ILE A 132 28.976 30.207 45.297 1.00 21.01 C +ATOM 858 CG1 ILE A 132 29.414 29.684 43.912 1.00 19.81 C +ATOM 859 CG2 ILE A 132 29.686 29.419 46.404 1.00 19.03 C +ATOM 860 CD1 ILE A 132 30.891 30.049 43.642 1.00 18.82 C +ATOM 861 N LEU A 133 26.666 32.091 44.298 1.00 19.39 N +ATOM 862 CA LEU A 133 26.281 32.855 43.085 1.00 18.50 C +ATOM 863 C LEU A 133 27.534 32.839 42.166 1.00 20.36 C +ATOM 864 O LEU A 133 28.657 32.811 42.634 1.00 18.49 O +ATOM 865 CB LEU A 133 25.941 34.276 43.491 1.00 21.81 C +ATOM 866 CG LEU A 133 24.546 34.795 43.456 1.00 26.85 C +ATOM 867 CD1 LEU A 133 23.428 33.793 43.307 1.00 24.94 C +ATOM 868 CD2 LEU A 133 24.240 35.919 44.398 1.00 25.95 C +ATOM 869 N ALA A 134 27.308 32.722 40.870 1.00 20.33 N +ATOM 870 CA ALA A 134 28.437 32.674 39.913 1.00 21.69 C +ATOM 871 C ALA A 134 27.956 33.180 38.547 1.00 21.97 C +ATOM 872 O ALA A 134 26.761 33.171 38.289 1.00 20.99 O +ATOM 873 CB ALA A 134 28.867 31.212 39.756 1.00 22.49 C +ATOM 874 N ALA A 135 28.916 33.562 37.692 1.00 21.15 N +ATOM 875 CA ALA A 135 28.490 34.026 36.341 1.00 20.64 C +ATOM 876 C ALA A 135 29.364 33.271 35.345 1.00 24.90 C +ATOM 877 O ALA A 135 30.570 33.107 35.550 1.00 22.53 O +ATOM 878 CB ALA A 135 28.760 35.534 36.247 1.00 20.62 C +ATOM 879 N PRO A 136 28.778 32.733 34.297 1.00 27.06 N +ATOM 880 CA PRO A 136 29.539 31.970 33.315 1.00 27.60 C +ATOM 881 C PRO A 136 30.588 32.797 32.600 1.00 26.27 C +ATOM 882 O PRO A 136 30.468 33.986 32.381 1.00 25.21 O +ATOM 883 CB PRO A 136 28.488 31.481 32.309 1.00 30.30 C +ATOM 884 CG PRO A 136 27.184 31.614 33.034 1.00 32.33 C +ATOM 885 CD PRO A 136 27.345 32.863 33.920 1.00 29.88 C +ATOM 886 N VAL A 137 31.683 32.109 32.209 1.00 24.53 N +ATOM 887 CA VAL A 137 32.768 32.720 31.487 1.00 25.24 C +ATOM 888 C VAL A 137 32.412 32.631 29.981 1.00 27.88 C +ATOM 889 O VAL A 137 32.103 31.531 29.528 1.00 27.57 O +ATOM 890 CB VAL A 137 34.125 32.039 31.680 1.00 26.43 C +ATOM 891 CG1 VAL A 137 35.168 32.602 30.705 1.00 22.95 C +ATOM 892 CG2 VAL A 137 34.632 32.258 33.118 1.00 22.49 C +ATOM 893 N ARG A 138 32.425 33.785 29.345 1.00 27.88 N +ATOM 894 CA ARG A 138 32.051 33.797 27.914 1.00 28.77 C +ATOM 895 C ARG A 138 33.188 34.018 26.978 1.00 27.78 C +ATOM 896 O ARG A 138 33.048 33.736 25.763 1.00 28.48 O +ATOM 897 CB ARG A 138 30.893 34.793 27.709 1.00 37.49 C +ATOM 898 CG ARG A 138 29.626 34.181 28.327 1.00 45.57 C +ATOM 899 CD ARG A 138 28.459 35.141 28.412 1.00 54.68 C +ATOM 900 NE ARG A 138 27.393 34.563 29.220 1.00 61.56 N +ATOM 901 CZ ARG A 138 26.218 35.058 29.512 1.00 66.57 C +ATOM 902 NH1 ARG A 138 25.835 36.249 29.054 1.00 70.60 N +ATOM 903 NH2 ARG A 138 25.382 34.372 30.301 1.00 67.47 N +ATOM 904 N ASP A 139 34.281 34.579 27.419 1.00 25.49 N +ATOM 905 CA ASP A 139 35.444 34.759 26.560 1.00 24.82 C +ATOM 906 C ASP A 139 36.198 33.444 26.364 1.00 26.26 C +ATOM 907 O ASP A 139 36.140 32.506 27.156 1.00 23.27 O +ATOM 908 CB ASP A 139 36.425 35.720 27.293 1.00 22.27 C +ATOM 909 CG ASP A 139 35.922 37.163 27.266 1.00 22.20 C +ATOM 910 OD1 ASP A 139 36.346 37.942 28.109 1.00 23.65 O +ATOM 911 OD2 ASP A 139 35.116 37.531 26.373 1.00 23.33 O +ATOM 912 N THR A 140 36.912 33.373 25.226 1.00 21.46 N +ATOM 913 CA THR A 140 37.843 32.236 25.061 1.00 21.10 C +ATOM 914 C THR A 140 39.002 32.580 26.022 1.00 20.66 C +ATOM 915 O THR A 140 39.253 33.785 26.209 1.00 20.34 O +ATOM 916 CB THR A 140 38.368 32.276 23.586 1.00 24.12 C +ATOM 917 OG1 THR A 140 37.242 31.882 22.773 1.00 21.86 O +ATOM 918 CG2 THR A 140 39.544 31.371 23.389 1.00 22.80 C +ATOM 919 N MET A 141 39.495 31.605 26.757 1.00 19.23 N +ATOM 920 CA MET A 141 40.533 31.798 27.752 1.00 22.51 C +ATOM 921 C MET A 141 41.867 31.210 27.332 1.00 20.47 C +ATOM 922 O MET A 141 41.942 30.213 26.620 1.00 21.87 O +ATOM 923 CB MET A 141 40.098 31.151 29.088 1.00 21.40 C +ATOM 924 CG MET A 141 38.781 31.719 29.631 1.00 23.93 C +ATOM 925 SD MET A 141 38.742 33.451 29.981 1.00 21.38 S +ATOM 926 CE MET A 141 39.811 33.581 31.425 1.00 24.50 C +ATOM 927 N LYS A 142 42.949 31.861 27.768 1.00 22.00 N +ATOM 928 CA LYS A 142 44.277 31.399 27.422 1.00 21.45 C +ATOM 929 C LYS A 142 45.167 31.222 28.674 1.00 23.39 C +ATOM 930 O LYS A 142 45.098 32.026 29.598 1.00 21.82 O +ATOM 931 CB LYS A 142 44.990 32.463 26.556 1.00 19.95 C +ATOM 932 CG LYS A 142 44.218 32.810 25.291 1.00 19.42 C +ATOM 933 CD LYS A 142 44.021 31.672 24.312 1.00 20.14 C +ATOM 934 CE LYS A 142 43.264 32.251 23.056 1.00 21.36 C +ATOM 935 NZ LYS A 142 43.156 31.184 21.998 1.00 17.56 N +ATOM 936 N ARG A 143 45.998 30.197 28.623 1.00 22.17 N +ATOM 937 CA ARG A 143 47.017 30.015 29.678 1.00 24.92 C +ATOM 938 C ARG A 143 48.366 30.464 29.082 1.00 23.36 C +ATOM 939 O ARG A 143 48.749 29.997 27.995 1.00 27.00 O +ATOM 940 CB ARG A 143 47.134 28.543 30.067 1.00 25.63 C +ATOM 941 CG ARG A 143 48.245 28.323 31.119 1.00 27.95 C +ATOM 942 CD ARG A 143 47.725 28.707 32.491 1.00 28.05 C +ATOM 943 NE ARG A 143 46.539 27.868 32.873 1.00 26.06 N +ATOM 944 CZ ARG A 143 45.845 28.195 33.969 1.00 23.76 C +ATOM 945 NH1 ARG A 143 44.773 27.477 34.320 1.00 26.65 N +ATOM 946 NH2 ARG A 143 46.188 29.217 34.744 1.00 25.60 N +ATOM 947 N ALA A 144 49.068 31.363 29.742 1.00 26.56 N +ATOM 948 CA ALA A 144 50.337 31.864 29.248 1.00 25.84 C +ATOM 949 C ALA A 144 51.485 30.888 29.494 1.00 30.25 C +ATOM 950 O ALA A 144 51.366 30.016 30.371 1.00 28.19 O +ATOM 951 CB ALA A 144 50.668 33.175 29.981 1.00 30.90 C +ATOM 952 N GLU A 145 52.544 31.054 28.710 1.00 29.48 N +ATOM 953 CA GLU A 145 53.747 30.201 28.989 1.00 33.43 C +ATOM 954 C GLU A 145 54.334 30.788 30.269 1.00 31.27 C +ATOM 955 O GLU A 145 54.262 31.972 30.518 1.00 31.45 O +ATOM 956 CB GLU A 145 54.708 30.339 27.814 1.00 36.65 C +ATOM 957 CG GLU A 145 54.223 29.748 26.504 1.00 39.47 C +ATOM 958 CD GLU A 145 55.145 29.969 25.321 1.00 44.00 C +ATOM 959 OE1 GLU A 145 55.943 30.935 25.293 1.00 44.70 O +ATOM 960 OE2 GLU A 145 55.066 29.191 24.338 1.00 44.41 O +ATOM 961 N PRO A 146 54.865 29.956 31.168 1.00 35.07 N +ATOM 962 CA PRO A 146 55.415 30.430 32.419 1.00 34.62 C +ATOM 963 C PRO A 146 56.447 31.528 32.244 1.00 35.24 C +ATOM 964 O PRO A 146 57.401 31.339 31.470 1.00 38.18 O +ATOM 965 CB PRO A 146 56.068 29.168 33.000 1.00 36.64 C +ATOM 966 CG PRO A 146 55.307 28.034 32.417 1.00 35.31 C +ATOM 967 CD PRO A 146 54.896 28.486 31.027 1.00 34.29 C +ATOM 968 N GLY A 147 56.245 32.683 32.838 1.00 35.97 N +ATOM 969 CA GLY A 147 57.093 33.838 32.799 1.00 37.58 C +ATOM 970 C GLY A 147 57.186 34.568 31.477 1.00 40.32 C +ATOM 971 O GLY A 147 58.050 35.445 31.266 1.00 38.99 O +ATOM 972 N LYS A 148 56.292 34.249 30.528 1.00 38.91 N +ATOM 973 CA LYS A 148 56.347 34.926 29.225 1.00 39.57 C +ATOM 974 C LYS A 148 54.970 35.466 28.856 1.00 38.40 C +ATOM 975 O LYS A 148 53.947 35.040 29.412 1.00 37.50 O +ATOM 976 CB LYS A 148 56.895 33.986 28.165 1.00 40.43 C +ATOM 977 CG LYS A 148 58.176 33.247 28.462 1.00 43.24 C +ATOM 978 N ASN A 149 54.919 36.469 27.977 1.00 38.06 N +ATOM 979 CA ASN A 149 53.579 37.015 27.623 1.00 39.70 C +ATOM 980 C ASN A 149 53.184 36.459 26.254 1.00 38.09 C +ATOM 981 O ASN A 149 52.998 37.188 25.269 1.00 40.18 O +ATOM 982 CB ASN A 149 53.523 38.505 27.714 1.00 44.62 C +ATOM 983 CG ASN A 149 53.498 39.074 29.116 1.00 47.45 C +ATOM 984 OD1 ASN A 149 52.864 38.554 30.041 1.00 47.21 O +ATOM 985 ND2 ASN A 149 54.185 40.200 29.304 1.00 51.25 N +ATOM 986 N ALA A 150 53.163 35.157 26.186 1.00 34.06 N +ATOM 987 CA ALA A 150 52.835 34.363 25.035 1.00 32.19 C +ATOM 988 C ALA A 150 51.912 33.218 25.441 1.00 31.49 C +ATOM 989 O ALA A 150 51.907 32.686 26.557 1.00 28.59 O +ATOM 990 CB ALA A 150 54.060 33.872 24.317 1.00 36.06 C +ATOM 991 N ILE A 151 50.999 32.908 24.504 1.00 25.44 N +ATOM 992 CA ILE A 151 50.041 31.868 24.760 1.00 24.99 C +ATOM 993 C ILE A 151 50.625 30.482 24.730 1.00 26.39 C +ATOM 994 O ILE A 151 51.228 30.057 23.735 1.00 28.00 O +ATOM 995 CB ILE A 151 48.906 31.916 23.687 1.00 20.73 C +ATOM 996 CG1 ILE A 151 48.114 33.229 23.930 1.00 22.49 C +ATOM 997 CG2 ILE A 151 48.017 30.717 23.811 1.00 21.66 C +ATOM 998 CD1 ILE A 151 47.246 33.505 22.661 1.00 24.78 C +ATOM 999 N ALA A 152 50.411 29.741 25.818 1.00 25.33 N +ATOM 1000 CA ALA A 152 50.873 28.355 25.852 1.00 26.26 C +ATOM 1001 C ALA A 152 49.772 27.535 25.190 1.00 26.72 C +ATOM 1002 O ALA A 152 50.013 26.832 24.206 1.00 26.66 O +ATOM 1003 CB ALA A 152 51.154 27.913 27.289 1.00 28.97 C +ATOM 1004 N HIS A 153 48.515 27.742 25.608 1.00 26.66 N +ATOM 1005 CA HIS A 153 47.411 27.007 25.002 1.00 26.99 C +ATOM 1006 C HIS A 153 46.076 27.623 25.443 1.00 24.54 C +ATOM 1007 O HIS A 153 46.050 28.444 26.360 1.00 26.48 O +ATOM 1008 CB HIS A 153 47.385 25.524 25.345 1.00 29.55 C +ATOM 1009 CG HIS A 153 47.349 25.241 26.819 1.00 33.02 C +ATOM 1010 ND1 HIS A 153 46.189 25.292 27.560 1.00 36.74 N +ATOM 1011 CD2 HIS A 153 48.357 24.990 27.691 1.00 33.94 C +ATOM 1012 CE1 HIS A 153 46.482 25.087 28.837 1.00 35.97 C +ATOM 1013 NE2 HIS A 153 47.780 24.900 28.949 1.00 33.64 N +ATOM 1014 N THR A 154 45.009 27.159 24.791 1.00 24.47 N +ATOM 1015 CA THR A 154 43.673 27.666 25.195 1.00 23.21 C +ATOM 1016 C THR A 154 43.123 26.832 26.352 1.00 26.93 C +ATOM 1017 O THR A 154 43.408 25.644 26.472 1.00 28.70 O +ATOM 1018 CB THR A 154 42.721 27.561 23.993 1.00 23.87 C +ATOM 1019 OG1 THR A 154 43.147 28.522 23.033 1.00 24.73 O +ATOM 1020 CG2 THR A 154 41.277 27.831 24.397 1.00 23.45 C +ATOM 1021 N VAL A 155 42.431 27.506 27.267 1.00 27.33 N +ATOM 1022 CA VAL A 155 41.765 26.870 28.402 1.00 27.70 C +ATOM 1023 C VAL A 155 40.281 26.818 28.058 1.00 28.33 C +ATOM 1024 O VAL A 155 39.684 27.874 27.830 1.00 26.11 O +ATOM 1025 CB VAL A 155 41.940 27.672 29.711 1.00 29.07 C +ATOM 1026 CG1 VAL A 155 41.082 27.101 30.854 1.00 27.87 C +ATOM 1027 CG2 VAL A 155 43.401 27.666 30.138 1.00 29.61 C +ATOM 1028 N ASP A 156 39.731 25.610 27.982 1.00 28.86 N +ATOM 1029 CA ASP A 156 38.319 25.468 27.636 1.00 30.37 C +ATOM 1030 C ASP A 156 37.420 26.225 28.594 1.00 28.77 C +ATOM 1031 O ASP A 156 37.438 26.044 29.812 1.00 25.53 O +ATOM 1032 CB ASP A 156 37.950 23.983 27.545 1.00 35.43 C +ATOM 1033 CG ASP A 156 36.567 23.702 27.009 1.00 40.42 C +ATOM 1034 OD1 ASP A 156 36.153 22.510 27.029 1.00 48.04 O +ATOM 1035 OD2 ASP A 156 35.847 24.608 26.544 1.00 38.19 O +ATOM 1036 N ARG A 157 36.544 27.064 28.021 1.00 29.17 N +ATOM 1037 CA ARG A 157 35.631 27.878 28.816 1.00 28.90 C +ATOM 1038 C ARG A 157 34.337 27.190 29.120 1.00 29.68 C +ATOM 1039 O ARG A 157 33.491 27.705 29.859 1.00 26.38 O +ATOM 1040 CB ARG A 157 35.342 29.211 28.099 1.00 32.12 C +ATOM 1041 CG ARG A 157 34.598 29.034 26.772 1.00 34.65 C +ATOM 1042 CD ARG A 157 33.974 30.373 26.343 1.00 38.58 C +ATOM 1043 NE ARG A 157 32.779 30.192 25.576 1.00 51.20 N +ATOM 1044 CZ ARG A 157 32.261 30.900 24.597 1.00 57.79 C +ATOM 1045 NH1 ARG A 157 31.114 30.509 24.027 1.00 60.18 N +ATOM 1046 NH2 ARG A 157 32.847 31.996 24.128 1.00 62.00 N +ATOM 1047 N ASN A 158 34.092 26.037 28.433 1.00 28.84 N +ATOM 1048 CA ASN A 158 32.775 25.413 28.776 1.00 30.79 C +ATOM 1049 C ASN A 158 32.836 24.941 30.211 1.00 27.78 C +ATOM 1050 O ASN A 158 33.787 24.248 30.594 1.00 26.70 O +ATOM 1051 CB ASN A 158 32.518 24.234 27.833 1.00 36.75 C +ATOM 1052 CG ASN A 158 31.066 24.243 27.371 1.00 47.64 C +ATOM 1053 OD1 ASN A 158 30.195 23.650 28.001 1.00 48.01 O +ATOM 1054 ND2 ASN A 158 30.819 24.982 26.283 1.00 50.14 N +ATOM 1055 N GLY A 159 31.804 25.182 31.006 1.00 25.90 N +ATOM 1056 CA GLY A 159 31.839 24.732 32.417 1.00 23.80 C +ATOM 1057 C GLY A 159 32.721 25.652 33.275 1.00 24.73 C +ATOM 1058 O GLY A 159 32.965 25.311 34.455 1.00 24.38 O +ATOM 1059 N LEU A 160 33.199 26.753 32.781 1.00 22.54 N +ATOM 1060 CA LEU A 160 34.056 27.698 33.524 1.00 23.76 C +ATOM 1061 C LEU A 160 33.226 28.872 34.014 1.00 23.50 C +ATOM 1062 O LEU A 160 32.424 29.462 33.283 1.00 21.72 O +ATOM 1063 CB LEU A 160 35.198 28.144 32.600 1.00 27.65 C +ATOM 1064 CG LEU A 160 36.353 28.883 33.270 1.00 27.66 C +ATOM 1065 CD1 LEU A 160 37.087 27.951 34.247 1.00 25.84 C +ATOM 1066 CD2 LEU A 160 37.325 29.450 32.271 1.00 25.98 C +ATOM 1067 N TRP A 161 33.296 29.176 35.319 1.00 23.09 N +ATOM 1068 CA TRP A 161 32.506 30.216 35.920 1.00 22.21 C +ATOM 1069 C TRP A 161 33.283 31.191 36.813 1.00 21.58 C +ATOM 1070 O TRP A 161 34.273 30.833 37.442 1.00 19.90 O +ATOM 1071 CB TRP A 161 31.502 29.517 36.897 1.00 24.01 C +ATOM 1072 CG TRP A 161 30.455 28.675 36.269 1.00 25.26 C +ATOM 1073 CD1 TRP A 161 30.584 27.412 35.743 1.00 20.80 C +ATOM 1074 CD2 TRP A 161 29.068 29.015 36.138 1.00 25.80 C +ATOM 1075 NE1 TRP A 161 29.362 26.948 35.315 1.00 23.28 N +ATOM 1076 CE2 TRP A 161 28.431 27.938 35.507 1.00 28.20 C +ATOM 1077 CE3 TRP A 161 28.319 30.149 36.472 1.00 27.66 C +ATOM 1078 CZ2 TRP A 161 27.055 27.928 35.247 1.00 32.46 C +ATOM 1079 CZ3 TRP A 161 26.957 30.148 36.205 1.00 31.83 C +ATOM 1080 CH2 TRP A 161 26.348 29.047 35.585 1.00 34.24 C +ATOM 1081 N HIS A 162 32.847 32.449 36.804 1.00 21.88 N +ATOM 1082 CA HIS A 162 33.394 33.463 37.715 1.00 20.13 C +ATOM 1083 C HIS A 162 32.696 33.240 39.093 1.00 23.65 C +ATOM 1084 O HIS A 162 31.471 33.246 39.126 1.00 23.10 O +ATOM 1085 CB HIS A 162 32.968 34.851 37.262 1.00 23.33 C +ATOM 1086 CG HIS A 162 33.498 35.293 35.918 1.00 24.75 C +ATOM 1087 ND1 HIS A 162 34.692 35.977 35.799 1.00 23.55 N +ATOM 1088 CD2 HIS A 162 32.941 35.240 34.691 1.00 26.08 C +ATOM 1089 CE1 HIS A 162 34.864 36.287 34.512 1.00 25.74 C +ATOM 1090 NE2 HIS A 162 33.837 35.823 33.810 1.00 26.11 N +ATOM 1091 N ALA A 163 33.462 33.054 40.161 1.00 19.99 N +ATOM 1092 CA ALA A 163 32.832 32.869 41.465 1.00 21.96 C +ATOM 1093 C ALA A 163 32.409 34.221 42.035 1.00 20.96 C +ATOM 1094 O ALA A 163 33.150 35.187 41.891 1.00 23.61 O +ATOM 1095 CB ALA A 163 33.799 32.193 42.445 1.00 19.55 C +ATOM 1096 N LEU A 164 31.215 34.256 42.604 1.00 21.06 N +ATOM 1097 CA LEU A 164 30.753 35.528 43.226 1.00 20.17 C +ATOM 1098 C LEU A 164 30.384 35.183 44.703 1.00 21.65 C +ATOM 1099 O LEU A 164 30.644 34.071 45.169 1.00 19.54 O +ATOM 1100 CB LEU A 164 29.501 36.010 42.503 1.00 20.31 C +ATOM 1101 CG LEU A 164 29.626 36.177 40.959 1.00 20.14 C +ATOM 1102 CD1 LEU A 164 28.250 36.417 40.351 1.00 22.09 C +ATOM 1103 CD2 LEU A 164 30.554 37.350 40.650 1.00 24.08 C +ATOM 1104 N THR A 165 29.847 36.176 45.400 1.00 21.12 N +ATOM 1105 CA THR A 165 29.304 35.887 46.782 1.00 22.35 C +ATOM 1106 C THR A 165 27.923 36.545 46.720 1.00 23.87 C +ATOM 1107 O THR A 165 27.754 37.434 45.856 1.00 23.25 O +ATOM 1108 CB THR A 165 30.140 36.365 47.920 1.00 20.73 C +ATOM 1109 OG1 THR A 165 30.082 37.791 48.126 1.00 20.53 O +ATOM 1110 CG2 THR A 165 31.623 35.982 47.739 1.00 20.32 C +ATOM 1111 N PRO A 166 26.982 36.240 47.584 1.00 21.81 N +ATOM 1112 CA PRO A 166 27.142 35.349 48.689 1.00 19.85 C +ATOM 1113 C PRO A 166 27.422 33.886 48.357 1.00 20.04 C +ATOM 1114 O PRO A 166 27.209 33.402 47.234 1.00 20.89 O +ATOM 1115 CB PRO A 166 25.798 35.434 49.424 1.00 20.37 C +ATOM 1116 CG PRO A 166 25.202 36.751 49.031 1.00 22.05 C +ATOM 1117 CD PRO A 166 25.654 36.936 47.592 1.00 20.94 C +ATOM 1118 N GLN A 167 27.899 33.189 49.382 1.00 19.05 N +ATOM 1119 CA GLN A 167 28.161 31.716 49.333 1.00 18.77 C +ATOM 1120 C GLN A 167 27.291 31.211 50.496 1.00 20.90 C +ATOM 1121 O GLN A 167 27.432 31.785 51.606 1.00 21.32 O +ATOM 1122 CB GLN A 167 29.669 31.485 49.476 1.00 18.30 C +ATOM 1123 CG GLN A 167 30.431 32.194 48.307 1.00 20.53 C +ATOM 1124 CD GLN A 167 31.722 31.557 47.932 1.00 20.24 C +ATOM 1125 OE1 GLN A 167 32.265 30.678 48.641 1.00 19.31 O +ATOM 1126 NE2 GLN A 167 32.304 31.958 46.768 1.00 18.45 N +ATOM 1127 N PHE A 168 26.430 30.257 50.251 1.00 19.08 N +ATOM 1128 CA PHE A 168 25.417 29.800 51.206 1.00 20.11 C +ATOM 1129 C PHE A 168 25.536 28.348 51.557 1.00 20.03 C +ATOM 1130 O PHE A 168 25.499 27.474 50.692 1.00 20.13 O +ATOM 1131 CB PHE A 168 24.078 30.099 50.523 1.00 18.74 C +ATOM 1132 CG PHE A 168 22.860 29.869 51.392 1.00 19.18 C +ATOM 1133 CD1 PHE A 168 22.754 30.483 52.603 1.00 19.07 C +ATOM 1134 CD2 PHE A 168 21.776 29.186 50.831 1.00 22.59 C +ATOM 1135 CE1 PHE A 168 21.597 30.323 53.374 1.00 22.74 C +ATOM 1136 CE2 PHE A 168 20.620 29.006 51.606 1.00 24.07 C +ATOM 1137 CZ PHE A 168 20.549 29.571 52.852 1.00 21.03 C +ATOM 1138 N PHE A 169 25.704 28.047 52.869 1.00 20.19 N +ATOM 1139 CA PHE A 169 25.963 26.658 53.271 1.00 20.83 C +ATOM 1140 C PHE A 169 25.304 26.269 54.593 1.00 21.22 C +ATOM 1141 O PHE A 169 25.110 27.152 55.431 1.00 22.12 O +ATOM 1142 CB PHE A 169 27.489 26.496 53.565 1.00 19.58 C +ATOM 1143 CG PHE A 169 28.375 26.938 52.426 1.00 20.66 C +ATOM 1144 CD1 PHE A 169 28.558 26.108 51.334 1.00 25.13 C +ATOM 1145 CD2 PHE A 169 28.968 28.194 52.438 1.00 22.46 C +ATOM 1146 CE1 PHE A 169 29.348 26.520 50.256 1.00 26.21 C +ATOM 1147 CE2 PHE A 169 29.766 28.578 51.367 1.00 21.95 C +ATOM 1148 CZ PHE A 169 29.950 27.768 50.288 1.00 25.67 C +ATOM 1149 N PRO A 170 25.094 24.982 54.742 1.00 20.59 N +ATOM 1150 CA PRO A 170 24.534 24.487 56.033 1.00 23.75 C +ATOM 1151 C PRO A 170 25.538 24.908 57.098 1.00 23.33 C +ATOM 1152 O PRO A 170 26.764 24.848 56.847 1.00 25.18 O +ATOM 1153 CB PRO A 170 24.557 22.975 55.859 1.00 23.65 C +ATOM 1154 CG PRO A 170 24.513 22.742 54.397 1.00 23.07 C +ATOM 1155 CD PRO A 170 25.257 23.899 53.776 1.00 22.97 C +ATOM 1156 N ARG A 171 25.062 25.331 58.242 1.00 23.16 N +ATOM 1157 CA ARG A 171 25.951 25.828 59.309 1.00 23.53 C +ATOM 1158 C ARG A 171 26.936 24.797 59.797 1.00 22.79 C +ATOM 1159 O ARG A 171 28.152 25.071 59.875 1.00 23.80 O +ATOM 1160 CB ARG A 171 25.032 26.270 60.464 1.00 30.99 C +ATOM 1161 CG ARG A 171 25.574 27.466 61.242 1.00 38.14 C +ATOM 1162 CD ARG A 171 26.690 27.126 62.135 1.00 38.87 C +ATOM 1163 NE ARG A 171 26.753 27.733 63.417 1.00 36.13 N +ATOM 1164 CZ ARG A 171 25.878 28.276 64.223 1.00 40.58 C +ATOM 1165 NH1 ARG A 171 24.598 28.380 63.905 1.00 41.38 N +ATOM 1166 NH2 ARG A 171 26.307 28.732 65.418 1.00 33.75 N +ATOM 1167 N GLU A 172 26.541 23.560 60.029 1.00 21.70 N +ATOM 1168 CA GLU A 172 27.460 22.559 60.552 1.00 24.36 C +ATOM 1169 C GLU A 172 28.522 22.122 59.539 1.00 22.15 C +ATOM 1170 O GLU A 172 29.704 22.003 59.877 1.00 23.47 O +ATOM 1171 CB GLU A 172 26.687 21.355 61.074 1.00 28.91 C +ATOM 1172 CG GLU A 172 27.553 20.171 61.464 1.00 35.55 C +ATOM 1173 N LEU A 173 28.118 21.883 58.325 1.00 24.81 N +ATOM 1174 CA LEU A 173 29.059 21.471 57.255 1.00 21.95 C +ATOM 1175 C LEU A 173 30.121 22.525 57.065 1.00 23.11 C +ATOM 1176 O LEU A 173 31.316 22.254 56.959 1.00 21.04 O +ATOM 1177 CB LEU A 173 28.261 21.220 55.988 1.00 25.81 C +ATOM 1178 CG LEU A 173 29.105 20.729 54.780 1.00 24.28 C +ATOM 1179 CD1 LEU A 173 29.699 19.367 55.157 1.00 31.10 C +ATOM 1180 CD2 LEU A 173 28.241 20.642 53.549 1.00 28.42 C +ATOM 1181 N LEU A 174 29.667 23.814 56.970 1.00 20.49 N +ATOM 1182 CA LEU A 174 30.631 24.882 56.818 1.00 21.29 C +ATOM 1183 C LEU A 174 31.589 24.945 57.987 1.00 20.00 C +ATOM 1184 O LEU A 174 32.801 24.988 57.836 1.00 20.79 O +ATOM 1185 CB LEU A 174 29.955 26.248 56.616 1.00 22.50 C +ATOM 1186 CG LEU A 174 30.916 27.410 56.394 1.00 21.80 C +ATOM 1187 CD1 LEU A 174 31.722 27.230 55.098 1.00 24.98 C +ATOM 1188 CD2 LEU A 174 30.154 28.738 56.349 1.00 22.40 C +ATOM 1189 N HIS A 175 31.046 24.961 59.226 1.00 20.24 N +ATOM 1190 CA HIS A 175 31.925 25.006 60.383 1.00 22.57 C +ATOM 1191 C HIS A 175 32.922 23.844 60.408 1.00 20.53 C +ATOM 1192 O HIS A 175 34.127 24.045 60.610 1.00 21.18 O +ATOM 1193 CB HIS A 175 31.059 24.880 61.677 1.00 22.57 C +ATOM 1194 CG HIS A 175 31.925 24.714 62.894 1.00 26.83 C +ATOM 1195 ND1 HIS A 175 32.405 23.479 63.271 1.00 27.66 N +ATOM 1196 CD2 HIS A 175 32.443 25.623 63.758 1.00 29.25 C +ATOM 1197 CE1 HIS A 175 33.136 23.635 64.385 1.00 29.95 C +ATOM 1198 NE2 HIS A 175 33.187 24.911 64.688 1.00 28.33 N +ATOM 1199 N ASP A 176 32.435 22.653 60.164 1.00 22.38 N +ATOM 1200 CA ASP A 176 33.301 21.469 60.252 1.00 23.08 C +ATOM 1201 C ASP A 176 34.360 21.439 59.177 1.00 24.00 C +ATOM 1202 O ASP A 176 35.544 21.109 59.416 1.00 23.19 O +ATOM 1203 CB ASP A 176 32.454 20.208 60.271 1.00 26.04 C +ATOM 1204 CG ASP A 176 31.632 20.079 61.552 1.00 26.69 C +ATOM 1205 OD1 ASP A 176 30.858 19.108 61.633 1.00 27.42 O +ATOM 1206 OD2 ASP A 176 31.714 20.913 62.460 1.00 23.82 O +ATOM 1207 N CYS A 177 33.932 21.754 57.951 1.00 20.62 N +ATOM 1208 CA CYS A 177 34.918 21.756 56.879 1.00 22.07 C +ATOM 1209 C CYS A 177 35.959 22.843 57.027 1.00 21.71 C +ATOM 1210 O CYS A 177 37.164 22.658 56.750 1.00 24.28 O +ATOM 1211 CB CYS A 177 34.249 21.909 55.542 1.00 23.59 C +ATOM 1212 SG ACYS A 177 35.271 21.768 54.155 0.65 19.45 S +ATOM 1213 SG BCYS A 177 33.285 20.719 54.745 0.35 19.78 S +ATOM 1214 N LEU A 178 35.497 24.111 57.226 1.00 21.58 N +ATOM 1215 CA LEU A 178 36.422 25.205 57.374 1.00 22.45 C +ATOM 1216 C LEU A 178 37.429 24.889 58.492 1.00 21.61 C +ATOM 1217 O LEU A 178 38.612 25.203 58.372 1.00 22.26 O +ATOM 1218 CB LEU A 178 35.703 26.508 57.778 1.00 22.48 C +ATOM 1219 CG LEU A 178 35.757 27.698 56.871 1.00 31.79 C +ATOM 1220 CD1 LEU A 178 35.243 28.944 57.597 1.00 30.62 C +ATOM 1221 CD2 LEU A 178 37.150 27.952 56.298 1.00 34.02 C +ATOM 1222 N THR A 179 36.910 24.401 59.628 1.00 24.00 N +ATOM 1223 CA THR A 179 37.822 24.076 60.733 1.00 21.00 C +ATOM 1224 C THR A 179 38.876 23.072 60.270 1.00 22.60 C +ATOM 1225 O THR A 179 40.067 23.265 60.495 1.00 23.31 O +ATOM 1226 CB THR A 179 37.023 23.450 61.902 1.00 25.66 C +ATOM 1227 OG1 THR A 179 36.085 24.447 62.358 1.00 24.54 O +ATOM 1228 CG2 THR A 179 37.938 23.091 63.066 1.00 25.36 C +ATOM 1229 N ARG A 180 38.416 21.964 59.669 1.00 21.77 N +ATOM 1230 CA ARG A 180 39.394 20.958 59.227 1.00 21.80 C +ATOM 1231 C ARG A 180 40.380 21.476 58.212 1.00 21.51 C +ATOM 1232 O ARG A 180 41.603 21.307 58.361 1.00 23.05 O +ATOM 1233 CB ARG A 180 38.654 19.720 58.664 1.00 22.05 C +ATOM 1234 CG ARG A 180 39.686 18.672 58.157 1.00 20.97 C +ATOM 1235 CD ARG A 180 40.531 18.182 59.351 1.00 19.17 C +ATOM 1236 NE ARG A 180 39.714 17.573 60.380 1.00 22.98 N +ATOM 1237 CZ ARG A 180 39.210 16.347 60.414 1.00 24.23 C +ATOM 1238 NH1 ARG A 180 38.459 16.009 61.482 1.00 19.45 N +ATOM 1239 NH2 ARG A 180 39.444 15.438 59.482 1.00 23.54 N +ATOM 1240 N ALA A 181 39.928 22.223 57.219 1.00 21.33 N +ATOM 1241 CA ALA A 181 40.825 22.767 56.173 1.00 24.12 C +ATOM 1242 C ALA A 181 41.881 23.661 56.779 1.00 27.02 C +ATOM 1243 O ALA A 181 43.067 23.614 56.457 1.00 27.24 O +ATOM 1244 CB ALA A 181 39.998 23.518 55.144 1.00 23.70 C +ATOM 1245 N LEU A 182 41.424 24.563 57.681 1.00 25.03 N +ATOM 1246 CA LEU A 182 42.374 25.463 58.315 1.00 28.78 C +ATOM 1247 C LEU A 182 43.386 24.705 59.166 1.00 28.87 C +ATOM 1248 O LEU A 182 44.574 24.982 59.066 1.00 30.41 O +ATOM 1249 CB LEU A 182 41.636 26.477 59.172 1.00 29.47 C +ATOM 1250 CG LEU A 182 40.924 27.613 58.431 1.00 35.14 C +ATOM 1251 CD1 LEU A 182 40.307 28.526 59.499 1.00 35.04 C +ATOM 1252 CD2 LEU A 182 41.884 28.404 57.560 1.00 37.53 C +ATOM 1253 N ASN A 183 42.938 23.718 59.929 1.00 30.09 N +ATOM 1254 CA ASN A 183 43.848 22.930 60.776 1.00 31.16 C +ATOM 1255 C ASN A 183 44.876 22.192 59.941 1.00 31.44 C +ATOM 1256 O ASN A 183 46.053 22.090 60.301 1.00 34.27 O +ATOM 1257 CB ASN A 183 43.038 21.904 61.591 1.00 29.08 C +ATOM 1258 CG ASN A 183 42.342 22.565 62.772 1.00 32.16 C +ATOM 1259 OD1 ASN A 183 42.601 23.735 63.062 1.00 38.78 O +ATOM 1260 ND2 ASN A 183 41.457 21.850 63.435 1.00 30.82 N +ATOM 1261 N GLU A 184 44.458 21.645 58.804 1.00 30.82 N +ATOM 1262 CA GLU A 184 45.321 20.935 57.901 1.00 28.65 C +ATOM 1263 C GLU A 184 46.131 21.869 57.007 1.00 29.60 C +ATOM 1264 O GLU A 184 46.898 21.414 56.147 1.00 29.44 O +ATOM 1265 CB GLU A 184 44.491 19.976 57.009 1.00 26.60 C +ATOM 1266 CG GLU A 184 43.945 18.792 57.828 1.00 29.52 C +ATOM 1267 CD GLU A 184 45.111 17.899 58.260 1.00 31.11 C +ATOM 1268 OE1 GLU A 184 45.696 17.258 57.348 1.00 28.64 O +ATOM 1269 OE2 GLU A 184 45.390 17.876 59.461 1.00 33.41 O +ATOM 1270 N GLY A 185 45.969 23.168 57.143 1.00 31.28 N +ATOM 1271 CA GLY A 185 46.732 24.141 56.367 1.00 31.37 C +ATOM 1272 C GLY A 185 46.396 24.236 54.933 1.00 32.15 C +ATOM 1273 O GLY A 185 47.219 24.600 54.033 1.00 33.13 O +ATOM 1274 N ALA A 186 45.156 23.929 54.563 1.00 31.34 N +ATOM 1275 CA ALA A 186 44.731 24.033 53.184 1.00 30.51 C +ATOM 1276 C ALA A 186 44.811 25.506 52.732 1.00 32.22 C +ATOM 1277 O ALA A 186 44.764 26.382 53.584 1.00 30.42 O +ATOM 1278 CB ALA A 186 43.273 23.591 53.078 1.00 32.30 C +ATOM 1279 N THR A 187 44.925 25.697 51.435 1.00 31.51 N +ATOM 1280 CA THR A 187 44.974 27.026 50.800 1.00 34.33 C +ATOM 1281 C THR A 187 43.536 27.445 50.492 1.00 32.67 C +ATOM 1282 O THR A 187 42.911 27.005 49.521 1.00 37.21 O +ATOM 1283 CB THR A 187 45.820 26.997 49.519 1.00 38.02 C +ATOM 1284 OG1 THR A 187 47.150 26.527 49.824 1.00 42.99 O +ATOM 1285 CG2 THR A 187 45.932 28.367 48.876 1.00 42.20 C +ATOM 1286 N ILE A 188 42.977 28.279 51.344 1.00 33.53 N +ATOM 1287 CA ILE A 188 41.571 28.679 51.235 1.00 32.58 C +ATOM 1288 C ILE A 188 41.407 30.062 50.616 1.00 34.40 C +ATOM 1289 O ILE A 188 41.997 31.045 51.070 1.00 35.27 O +ATOM 1290 CB ILE A 188 40.929 28.677 52.629 1.00 34.29 C +ATOM 1291 CG1 ILE A 188 41.077 27.294 53.292 1.00 36.32 C +ATOM 1292 CG2 ILE A 188 39.455 29.082 52.610 1.00 33.72 C +ATOM 1293 CD1 ILE A 188 40.532 27.248 54.702 1.00 36.32 C +ATOM 1294 N THR A 189 40.575 30.137 49.596 1.00 29.40 N +ATOM 1295 CA THR A 189 40.271 31.422 48.969 1.00 29.42 C +ATOM 1296 C THR A 189 38.869 31.823 49.436 1.00 27.52 C +ATOM 1297 O THR A 189 38.789 32.539 50.430 1.00 29.08 O +ATOM 1298 CB THR A 189 40.366 31.322 47.454 1.00 30.10 C +ATOM 1299 OG1 THR A 189 39.748 30.103 47.028 1.00 29.98 O +ATOM 1300 CG2 THR A 189 41.849 31.255 47.034 1.00 33.90 C +ATOM 1301 N ASP A 190 37.825 31.226 48.867 1.00 24.69 N +ATOM 1302 CA ASP A 190 36.459 31.500 49.320 1.00 22.26 C +ATOM 1303 C ASP A 190 35.948 30.310 50.141 1.00 21.98 C +ATOM 1304 O ASP A 190 36.665 29.324 50.298 1.00 22.28 O +ATOM 1305 CB ASP A 190 35.503 31.804 48.177 1.00 20.86 C +ATOM 1306 CG ASP A 190 35.448 30.748 47.093 1.00 22.29 C +ATOM 1307 OD1 ASP A 190 34.794 30.995 46.065 1.00 21.88 O +ATOM 1308 OD2 ASP A 190 36.010 29.633 47.250 1.00 23.85 O +ATOM 1309 N GLU A 191 34.714 30.441 50.639 1.00 21.14 N +ATOM 1310 CA GLU A 191 34.163 29.366 51.476 1.00 20.53 C +ATOM 1311 C GLU A 191 34.009 28.134 50.627 1.00 18.76 C +ATOM 1312 O GLU A 191 34.252 27.014 51.105 1.00 18.98 O +ATOM 1313 CB GLU A 191 32.880 29.775 52.168 1.00 21.05 C +ATOM 1314 CG GLU A 191 33.061 30.819 53.270 1.00 24.06 C +ATOM 1315 CD GLU A 191 33.607 32.128 52.705 1.00 28.09 C +ATOM 1316 OE1 GLU A 191 33.145 32.582 51.634 1.00 26.56 O +ATOM 1317 OE2 GLU A 191 34.541 32.672 53.298 1.00 29.87 O +ATOM 1318 N ALA A 192 33.547 28.296 49.372 1.00 18.33 N +ATOM 1319 CA ALA A 192 33.441 27.104 48.508 1.00 17.78 C +ATOM 1320 C ALA A 192 34.732 26.321 48.464 1.00 20.04 C +ATOM 1321 O ALA A 192 34.717 25.062 48.398 1.00 19.96 O +ATOM 1322 CB ALA A 192 33.074 27.538 47.069 1.00 16.12 C +ATOM 1323 N SER A 193 35.878 27.001 48.400 1.00 19.57 N +ATOM 1324 CA SER A 193 37.179 26.274 48.303 1.00 21.38 C +ATOM 1325 C SER A 193 37.420 25.415 49.526 1.00 21.37 C +ATOM 1326 O SER A 193 38.137 24.372 49.419 1.00 20.07 O +ATOM 1327 CB SER A 193 38.312 27.268 48.064 1.00 20.87 C +ATOM 1328 OG SER A 193 38.672 27.972 49.246 1.00 23.37 O +ATOM 1329 N ALA A 194 36.885 25.748 50.693 1.00 21.46 N +ATOM 1330 CA ALA A 194 37.045 24.872 51.859 1.00 21.52 C +ATOM 1331 C ALA A 194 36.203 23.617 51.648 1.00 21.38 C +ATOM 1332 O ALA A 194 36.676 22.506 51.876 1.00 21.24 O +ATOM 1333 CB ALA A 194 36.629 25.553 53.169 1.00 20.74 C +ATOM 1334 N LEU A 195 34.964 23.780 51.140 1.00 18.27 N +ATOM 1335 CA LEU A 195 34.121 22.626 50.878 1.00 20.28 C +ATOM 1336 C LEU A 195 34.796 21.727 49.833 1.00 20.76 C +ATOM 1337 O LEU A 195 34.753 20.490 49.904 1.00 20.21 O +ATOM 1338 CB LEU A 195 32.701 23.038 50.455 1.00 19.52 C +ATOM 1339 CG LEU A 195 31.729 23.148 51.682 1.00 22.64 C +ATOM 1340 CD1 LEU A 195 32.171 24.363 52.490 1.00 26.40 C +ATOM 1341 CD2 LEU A 195 30.302 23.265 51.200 1.00 31.92 C +ATOM 1342 N GLU A 196 35.442 22.340 48.853 1.00 18.83 N +ATOM 1343 CA GLU A 196 36.157 21.596 47.800 1.00 18.38 C +ATOM 1344 C GLU A 196 37.276 20.754 48.394 1.00 20.93 C +ATOM 1345 O GLU A 196 37.519 19.568 48.041 1.00 21.25 O +ATOM 1346 CB GLU A 196 36.753 22.624 46.816 1.00 19.89 C +ATOM 1347 CG GLU A 196 35.635 23.386 46.089 1.00 27.45 C +ATOM 1348 CD GLU A 196 36.205 24.577 45.295 1.00 28.88 C +ATOM 1349 OE1 GLU A 196 35.423 25.539 45.168 1.00 27.02 O +ATOM 1350 OE2 GLU A 196 37.397 24.492 44.911 1.00 31.03 O +ATOM 1351 N TYR A 197 38.020 21.370 49.295 1.00 17.73 N +ATOM 1352 CA TYR A 197 39.129 20.668 49.961 1.00 21.34 C +ATOM 1353 C TYR A 197 38.641 19.435 50.704 1.00 20.98 C +ATOM 1354 O TYR A 197 39.280 18.385 50.669 1.00 19.77 O +ATOM 1355 CB TYR A 197 39.745 21.650 50.991 1.00 24.02 C +ATOM 1356 CG TYR A 197 40.903 20.984 51.712 1.00 27.12 C +ATOM 1357 CD1 TYR A 197 42.111 20.959 51.015 1.00 30.57 C +ATOM 1358 CD2 TYR A 197 40.798 20.354 52.931 1.00 30.09 C +ATOM 1359 CE1 TYR A 197 43.218 20.381 51.565 1.00 31.51 C +ATOM 1360 CE2 TYR A 197 41.933 19.735 53.499 1.00 32.03 C +ATOM 1361 CZ TYR A 197 43.108 19.756 52.791 1.00 32.07 C +ATOM 1362 OH TYR A 197 44.273 19.184 53.273 1.00 36.79 O +ATOM 1363 N CYS A 198 37.449 19.540 51.319 1.00 18.64 N +ATOM 1364 CA CYS A 198 36.871 18.447 52.073 1.00 21.76 C +ATOM 1365 C CYS A 198 36.179 17.413 51.199 1.00 20.82 C +ATOM 1366 O CYS A 198 35.827 16.350 51.738 1.00 23.70 O +ATOM 1367 CB CYS A 198 35.867 18.978 53.123 1.00 22.65 C +ATOM 1368 SG CYS A 198 36.553 20.121 54.336 1.00 21.10 S +ATOM 1369 N GLY A 199 36.050 17.667 49.913 1.00 20.78 N +ATOM 1370 CA GLY A 199 35.478 16.721 48.981 1.00 19.84 C +ATOM 1371 C GLY A 199 34.043 16.941 48.601 1.00 23.77 C +ATOM 1372 O GLY A 199 33.367 16.008 48.121 1.00 24.16 O +ATOM 1373 N PHE A 200 33.488 18.117 48.907 1.00 21.86 N +ATOM 1374 CA PHE A 200 32.140 18.461 48.606 1.00 22.79 C +ATOM 1375 C PHE A 200 32.102 19.361 47.361 1.00 23.97 C +ATOM 1376 O PHE A 200 33.108 19.837 46.854 1.00 23.52 O +ATOM 1377 CB PHE A 200 31.402 19.116 49.780 1.00 20.68 C +ATOM 1378 CG PHE A 200 31.425 18.233 51.015 1.00 25.47 C +ATOM 1379 CD1 PHE A 200 32.394 18.390 51.979 1.00 29.31 C +ATOM 1380 CD2 PHE A 200 30.478 17.244 51.178 1.00 30.34 C +ATOM 1381 CE1 PHE A 200 32.414 17.579 53.114 1.00 27.84 C +ATOM 1382 CE2 PHE A 200 30.491 16.419 52.301 1.00 31.32 C +ATOM 1383 CZ PHE A 200 31.474 16.573 53.242 1.00 27.88 C +ATOM 1384 N HIS A 201 30.906 19.395 46.776 1.00 19.96 N +ATOM 1385 CA HIS A 201 30.679 20.124 45.534 1.00 23.49 C +ATOM 1386 C HIS A 201 29.477 21.049 45.636 1.00 22.39 C +ATOM 1387 O HIS A 201 28.370 20.688 45.256 1.00 22.84 O +ATOM 1388 CB HIS A 201 30.426 19.105 44.397 1.00 25.56 C +ATOM 1389 CG HIS A 201 31.567 18.141 44.307 1.00 29.07 C +ATOM 1390 ND1 HIS A 201 32.713 18.394 43.628 1.00 30.20 N +ATOM 1391 CD2 HIS A 201 31.716 16.908 44.896 1.00 33.92 C +ATOM 1392 CE1 HIS A 201 33.546 17.373 43.774 1.00 31.67 C +ATOM 1393 NE2 HIS A 201 32.952 16.465 44.531 1.00 35.48 N +ATOM 1394 N PRO A 202 29.749 22.283 46.032 1.00 22.81 N +ATOM 1395 CA PRO A 202 28.711 23.295 46.151 1.00 22.90 C +ATOM 1396 C PRO A 202 28.103 23.591 44.774 1.00 22.40 C +ATOM 1397 O PRO A 202 28.743 23.477 43.719 1.00 21.08 O +ATOM 1398 CB PRO A 202 29.435 24.476 46.746 1.00 21.87 C +ATOM 1399 CG PRO A 202 30.729 23.970 47.320 1.00 21.01 C +ATOM 1400 CD PRO A 202 31.088 22.793 46.418 1.00 21.04 C +ATOM 1401 N GLN A 203 26.818 23.915 44.785 1.00 22.00 N +ATOM 1402 CA GLN A 203 26.067 24.201 43.542 1.00 22.26 C +ATOM 1403 C GLN A 203 26.447 25.587 43.031 1.00 23.20 C +ATOM 1404 O GLN A 203 26.746 26.498 43.826 1.00 22.47 O +ATOM 1405 CB GLN A 203 24.570 24.211 43.896 1.00 27.04 C +ATOM 1406 CG GLN A 203 23.937 22.858 44.110 1.00 33.50 C +ATOM 1407 N LEU A 204 26.390 25.734 41.720 1.00 20.94 N +ATOM 1408 CA LEU A 204 26.614 27.025 41.063 1.00 20.76 C +ATOM 1409 C LEU A 204 25.234 27.612 40.681 1.00 24.55 C +ATOM 1410 O LEU A 204 24.471 26.950 39.952 1.00 23.81 O +ATOM 1411 CB LEU A 204 27.453 26.776 39.809 1.00 21.06 C +ATOM 1412 CG LEU A 204 28.937 26.432 40.073 1.00 22.82 C +ATOM 1413 CD1 LEU A 204 29.556 25.700 38.886 1.00 22.16 C +ATOM 1414 CD2 LEU A 204 29.721 27.698 40.377 1.00 26.20 C +ATOM 1415 N VAL A 205 24.836 28.706 41.312 1.00 21.05 N +ATOM 1416 CA VAL A 205 23.543 29.368 40.992 1.00 23.31 C +ATOM 1417 C VAL A 205 23.890 30.605 40.167 1.00 23.36 C +ATOM 1418 O VAL A 205 24.588 31.498 40.634 1.00 23.80 O +ATOM 1419 CB VAL A 205 22.852 29.774 42.319 1.00 23.74 C +ATOM 1420 CG1 VAL A 205 21.587 30.577 42.105 1.00 25.24 C +ATOM 1421 CG2 VAL A 205 22.519 28.512 43.136 1.00 22.87 C +ATOM 1422 N GLU A 206 23.399 30.703 38.909 1.00 25.33 N +ATOM 1423 CA GLU A 206 23.753 31.853 38.107 1.00 25.43 C +ATOM 1424 C GLU A 206 23.173 33.142 38.654 1.00 27.23 C +ATOM 1425 O GLU A 206 21.988 33.194 39.030 1.00 28.70 O +ATOM 1426 CB GLU A 206 23.394 31.666 36.609 1.00 26.10 C +ATOM 1427 CG GLU A 206 23.791 32.914 35.796 1.00 26.05 C +ATOM 1428 CD GLU A 206 23.657 32.701 34.287 1.00 32.15 C +ATOM 1429 OE1 GLU A 206 24.071 33.617 33.543 1.00 27.71 O +ATOM 1430 OE2 GLU A 206 23.226 31.618 33.889 1.00 31.94 O +ATOM 1431 N GLY A 207 24.027 34.139 38.794 1.00 26.48 N +ATOM 1432 CA GLY A 207 23.581 35.463 39.261 1.00 29.18 C +ATOM 1433 C GLY A 207 24.032 36.509 38.253 1.00 30.42 C +ATOM 1434 O GLY A 207 24.907 36.249 37.414 1.00 30.04 O +ATOM 1435 N ARG A 208 23.504 37.732 38.338 1.00 29.69 N +ATOM 1436 CA ARG A 208 23.912 38.770 37.411 1.00 28.95 C +ATOM 1437 C ARG A 208 25.373 39.153 37.563 1.00 30.55 C +ATOM 1438 O ARG A 208 25.941 39.158 38.648 1.00 29.74 O +ATOM 1439 CB ARG A 208 23.034 40.024 37.582 1.00 35.51 C +ATOM 1440 CG ARG A 208 21.613 39.830 37.036 1.00 41.33 C +ATOM 1441 CD ARG A 208 20.889 41.191 36.977 1.00 44.71 C +ATOM 1442 NE ARG A 208 19.456 41.003 36.738 1.00 47.27 N +ATOM 1443 CZ ARG A 208 18.630 40.434 37.610 1.00 49.34 C +ATOM 1444 NH1 ARG A 208 17.336 40.275 37.346 1.00 48.46 N +ATOM 1445 NH2 ARG A 208 19.104 40.027 38.787 1.00 44.15 N +ATOM 1446 N ALA A 209 26.008 39.550 36.448 1.00 31.07 N +ATOM 1447 CA ALA A 209 27.415 39.929 36.441 1.00 30.98 C +ATOM 1448 C ALA A 209 27.685 41.335 36.903 1.00 29.95 C +ATOM 1449 O ALA A 209 28.835 41.776 37.074 1.00 30.58 O +ATOM 1450 CB ALA A 209 27.989 39.700 35.022 1.00 37.89 C +ATOM 1451 N ASP A 210 26.659 42.086 37.291 1.00 29.39 N +ATOM 1452 CA ASP A 210 26.888 43.426 37.849 1.00 29.72 C +ATOM 1453 C ASP A 210 27.194 43.292 39.325 1.00 28.89 C +ATOM 1454 O ASP A 210 27.346 44.284 40.055 1.00 26.90 O +ATOM 1455 CB ASP A 210 25.687 44.327 37.570 1.00 34.53 C +ATOM 1456 CG ASP A 210 24.389 43.888 38.167 1.00 37.97 C +ATOM 1457 OD1 ASP A 210 23.373 44.655 38.136 1.00 39.16 O +ATOM 1458 OD2 ASP A 210 24.294 42.772 38.729 1.00 32.11 O +ATOM 1459 N ASN A 211 27.290 42.046 39.810 1.00 26.26 N +ATOM 1460 CA ASN A 211 27.654 41.806 41.233 1.00 25.23 C +ATOM 1461 C ASN A 211 29.172 41.898 41.285 1.00 26.61 C +ATOM 1462 O ASN A 211 29.909 40.931 41.163 1.00 28.27 O +ATOM 1463 CB ASN A 211 27.195 40.411 41.641 1.00 23.70 C +ATOM 1464 CG ASN A 211 27.550 40.041 43.066 1.00 26.94 C +ATOM 1465 OD1 ASN A 211 28.171 40.803 43.815 1.00 27.83 O +ATOM 1466 ND2 ASN A 211 27.136 38.834 43.502 1.00 20.60 N +ATOM 1467 N ILE A 212 29.698 43.145 41.240 1.00 29.42 N +ATOM 1468 CA ILE A 212 31.122 43.325 41.216 1.00 27.79 C +ATOM 1469 C ILE A 212 31.742 43.512 42.580 1.00 28.11 C +ATOM 1470 O ILE A 212 31.087 43.976 43.513 1.00 30.09 O +ATOM 1471 CB ILE A 212 31.521 44.521 40.319 1.00 35.05 C +ATOM 1472 CG1 ILE A 212 30.719 45.763 40.712 1.00 36.49 C +ATOM 1473 CG2 ILE A 212 31.287 44.215 38.837 1.00 31.02 C +ATOM 1474 CD1 ILE A 212 31.178 46.477 41.930 1.00 44.11 C +ATOM 1475 N LYS A 213 33.045 43.255 42.666 1.00 28.06 N +ATOM 1476 CA LYS A 213 33.803 43.448 43.885 1.00 29.10 C +ATOM 1477 C LYS A 213 34.659 44.716 43.731 1.00 33.09 C +ATOM 1478 O LYS A 213 35.475 44.815 42.807 1.00 31.11 O +ATOM 1479 CB LYS A 213 34.724 42.279 44.216 1.00 33.68 C +ATOM 1480 CG LYS A 213 35.359 42.401 45.617 1.00 33.66 C +ATOM 1481 CD LYS A 213 36.089 41.090 45.944 1.00 37.78 C +ATOM 1482 CE LYS A 213 37.142 41.348 47.022 1.00 40.26 C +ATOM 1483 NZ LYS A 213 37.769 40.076 47.478 1.00 40.26 N +ATOM 1484 N VAL A 214 34.394 45.685 44.591 1.00 31.86 N +ATOM 1485 CA VAL A 214 35.134 46.950 44.511 1.00 33.03 C +ATOM 1486 C VAL A 214 36.574 46.756 44.947 1.00 35.65 C +ATOM 1487 O VAL A 214 36.949 46.561 46.097 1.00 33.81 O +ATOM 1488 CB VAL A 214 34.418 48.078 45.216 1.00 30.84 C +ATOM 1489 CG1 VAL A 214 35.200 49.384 45.146 1.00 32.32 C +ATOM 1490 CG2 VAL A 214 33.013 48.253 44.673 1.00 34.54 C +ATOM 1491 N THR A 215 37.407 46.701 43.910 1.00 38.26 N +ATOM 1492 CA THR A 215 38.814 46.492 43.899 1.00 43.54 C +ATOM 1493 C THR A 215 39.197 45.082 44.356 1.00 47.52 C +ATOM 1494 O THR A 215 38.466 44.118 44.011 1.00 47.34 O +ATOM 1495 CB THR A 215 39.628 47.571 44.614 1.00 47.40 C +ATOM 1496 OG1 THR A 215 39.408 48.831 43.915 1.00 46.09 O +ATOM 1497 CG2 THR A 215 41.127 47.291 44.574 1.00 44.25 C +ATOM 1498 N GLU A 218 38.606 52.623 40.139 1.00 52.31 N +ATOM 1499 CA GLU A 218 37.763 52.665 38.947 1.00 53.13 C +ATOM 1500 C GLU A 218 36.437 51.955 39.155 1.00 53.33 C +ATOM 1501 O GLU A 218 35.401 52.316 38.595 1.00 54.96 O +ATOM 1502 CB GLU A 218 38.513 51.992 37.782 1.00 57.02 C +ATOM 1503 N ASP A 219 36.465 50.942 40.020 1.00 51.65 N +ATOM 1504 CA ASP A 219 35.327 50.121 40.367 1.00 47.12 C +ATOM 1505 C ASP A 219 34.165 50.913 40.946 1.00 43.96 C +ATOM 1506 O ASP A 219 32.993 50.538 40.809 1.00 41.69 O +ATOM 1507 CB ASP A 219 35.770 49.054 41.386 1.00 47.11 C +ATOM 1508 CG ASP A 219 36.572 47.930 40.779 1.00 49.73 C +ATOM 1509 OD1 ASP A 219 36.255 47.509 39.646 1.00 50.86 O +ATOM 1510 OD2 ASP A 219 37.517 47.431 41.433 1.00 49.72 O +ATOM 1511 N LEU A 220 34.503 51.998 41.636 1.00 42.28 N +ATOM 1512 CA LEU A 220 33.523 52.841 42.290 1.00 40.40 C +ATOM 1513 C LEU A 220 32.505 53.372 41.315 1.00 38.35 C +ATOM 1514 O LEU A 220 31.293 53.218 41.479 1.00 36.77 O +ATOM 1515 CB LEU A 220 34.241 53.981 43.045 1.00 42.80 C +ATOM 1516 CG LEU A 220 33.596 54.381 44.373 1.00 46.55 C +ATOM 1517 CD1 LEU A 220 33.476 53.172 45.304 1.00 44.77 C +ATOM 1518 CD2 LEU A 220 34.408 55.485 45.046 1.00 47.81 C +ATOM 1519 N ALA A 221 33.031 54.002 40.246 1.00 36.63 N +ATOM 1520 CA ALA A 221 32.159 54.563 39.231 1.00 37.42 C +ATOM 1521 C ALA A 221 31.257 53.494 38.630 1.00 34.11 C +ATOM 1522 O ALA A 221 30.052 53.734 38.491 1.00 35.97 O +ATOM 1523 CB ALA A 221 32.980 55.289 38.160 1.00 33.74 C +ATOM 1524 N LEU A 222 31.784 52.314 38.335 1.00 35.04 N +ATOM 1525 CA LEU A 222 30.940 51.254 37.759 1.00 35.05 C +ATOM 1526 C LEU A 222 29.901 50.757 38.753 1.00 32.03 C +ATOM 1527 O LEU A 222 28.718 50.580 38.454 1.00 31.31 O +ATOM 1528 CB LEU A 222 31.802 50.104 37.237 1.00 37.29 C +ATOM 1529 CG LEU A 222 31.029 48.879 36.734 1.00 39.10 C +ATOM 1530 CD1 LEU A 222 29.971 49.273 35.718 1.00 38.16 C +ATOM 1531 CD2 LEU A 222 32.014 47.865 36.129 1.00 41.06 C +ATOM 1532 N ALA A 223 30.338 50.547 39.997 1.00 33.56 N +ATOM 1533 CA ALA A 223 29.388 50.133 41.036 1.00 32.69 C +ATOM 1534 C ALA A 223 28.292 51.179 41.184 1.00 32.50 C +ATOM 1535 O ALA A 223 27.121 50.840 41.327 1.00 31.23 O +ATOM 1536 CB ALA A 223 30.128 49.924 42.351 1.00 30.49 C +ATOM 1537 N GLU A 224 28.649 52.478 41.114 1.00 34.07 N +ATOM 1538 CA GLU A 224 27.580 53.485 41.227 1.00 36.33 C +ATOM 1539 C GLU A 224 26.591 53.374 40.086 1.00 37.67 C +ATOM 1540 O GLU A 224 25.383 53.492 40.299 1.00 38.29 O +ATOM 1541 CB GLU A 224 28.152 54.899 41.273 1.00 40.88 C +ATOM 1542 CG GLU A 224 27.090 55.943 41.637 1.00 44.92 C +ATOM 1543 CD GLU A 224 27.718 57.310 41.834 1.00 53.70 C +ATOM 1544 OE1 GLU A 224 28.538 57.681 40.959 1.00 58.18 O +ATOM 1545 OE2 GLU A 224 27.395 57.982 42.830 1.00 55.96 O +ATOM 1546 N PHE A 225 27.103 53.191 38.850 1.00 37.41 N +ATOM 1547 CA PHE A 225 26.191 53.055 37.697 1.00 35.78 C +ATOM 1548 C PHE A 225 25.226 51.913 37.953 1.00 38.10 C +ATOM 1549 O PHE A 225 24.002 52.002 37.857 1.00 36.99 O +ATOM 1550 CB PHE A 225 27.026 52.819 36.424 1.00 37.20 C +ATOM 1551 CG PHE A 225 26.258 52.274 35.251 1.00 37.63 C +ATOM 1552 CD1 PHE A 225 25.377 53.086 34.551 1.00 36.60 C +ATOM 1553 CD2 PHE A 225 26.417 50.965 34.831 1.00 32.47 C +ATOM 1554 CE1 PHE A 225 24.665 52.607 33.469 1.00 35.55 C +ATOM 1555 CE2 PHE A 225 25.707 50.480 33.749 1.00 39.09 C +ATOM 1556 CZ PHE A 225 24.817 51.294 33.067 1.00 37.69 C +ATOM 1557 N TYR A 226 25.781 50.761 38.368 1.00 37.98 N +ATOM 1558 CA TYR A 226 24.952 49.597 38.648 1.00 40.52 C +ATOM 1559 C TYR A 226 23.929 49.856 39.755 1.00 41.15 C +ATOM 1560 O TYR A 226 22.838 49.288 39.686 1.00 44.22 O +ATOM 1561 CB TYR A 226 25.818 48.423 39.077 1.00 38.46 C +ATOM 1562 CG TYR A 226 26.574 47.751 37.963 1.00 36.65 C +ATOM 1563 CD1 TYR A 226 27.810 47.176 38.196 1.00 35.46 C +ATOM 1564 CD2 TYR A 226 26.011 47.671 36.681 1.00 36.41 C +ATOM 1565 CE1 TYR A 226 28.491 46.532 37.174 1.00 34.83 C +ATOM 1566 CE2 TYR A 226 26.694 47.046 35.662 1.00 34.50 C +ATOM 1567 CZ TYR A 226 27.917 46.481 35.917 1.00 33.10 C +ATOM 1568 OH TYR A 226 28.594 45.838 34.917 1.00 38.68 O +ATOM 1569 N LEU A 227 24.322 50.615 40.750 1.00 43.45 N +ATOM 1570 CA LEU A 227 23.432 50.962 41.856 1.00 47.03 C +ATOM 1571 C LEU A 227 22.465 52.082 41.435 1.00 50.11 C +ATOM 1572 O LEU A 227 21.246 51.863 41.473 1.00 52.97 O +ATOM 1573 CB LEU A 227 24.248 51.447 43.057 1.00 43.37 C +ATOM 1574 CG LEU A 227 24.934 50.345 43.867 1.00 41.56 C +ATOM 1575 CD1 LEU A 227 25.877 50.932 44.904 1.00 45.74 C +ATOM 1576 CD2 LEU A 227 23.880 49.452 44.521 1.00 41.44 C +TER 1577 LEU A 227 +ATOM 1578 N LEU B 6 53.266 49.350 5.788 1.00 34.65 N +ATOM 1579 CA LEU B 6 52.740 49.545 7.151 1.00 36.47 C +ATOM 1580 C LEU B 6 51.220 49.391 7.169 1.00 35.22 C +ATOM 1581 O LEU B 6 50.587 49.422 8.237 1.00 31.61 O +ATOM 1582 CB LEU B 6 53.106 50.946 7.609 1.00 43.10 C +ATOM 1583 CG LEU B 6 53.816 51.131 8.932 1.00 46.53 C +ATOM 1584 CD1 LEU B 6 54.917 50.105 9.152 1.00 45.98 C +ATOM 1585 CD2 LEU B 6 54.399 52.540 9.007 1.00 48.39 C +ATOM 1586 N ASP B 7 50.636 49.300 5.985 1.00 32.75 N +ATOM 1587 CA ASP B 7 49.203 49.161 5.840 1.00 33.58 C +ATOM 1588 C ASP B 7 48.706 47.897 6.576 1.00 29.96 C +ATOM 1589 O ASP B 7 49.301 46.850 6.432 1.00 32.90 O +ATOM 1590 CB ASP B 7 48.735 48.989 4.403 1.00 35.47 C +ATOM 1591 CG ASP B 7 48.942 50.180 3.502 1.00 41.16 C +ATOM 1592 OD1 ASP B 7 49.412 51.219 3.983 1.00 39.68 O +ATOM 1593 OD2 ASP B 7 48.613 50.032 2.295 1.00 41.21 O +ATOM 1594 N VAL B 8 47.574 48.070 7.217 1.00 26.70 N +ATOM 1595 CA VAL B 8 46.904 46.964 7.929 1.00 23.54 C +ATOM 1596 C VAL B 8 45.450 46.967 7.442 1.00 21.15 C +ATOM 1597 O VAL B 8 44.889 47.990 7.089 1.00 22.45 O +ATOM 1598 CB VAL B 8 46.928 47.210 9.456 1.00 24.17 C +ATOM 1599 CG1 VAL B 8 45.927 46.326 10.199 1.00 26.06 C +ATOM 1600 CG2 VAL B 8 48.346 46.955 9.992 1.00 29.09 C +ATOM 1601 N CYS B 9 44.919 45.757 7.266 1.00 20.85 N +ATOM 1602 CA CYS B 9 43.519 45.622 6.885 1.00 19.98 C +ATOM 1603 C CYS B 9 42.842 44.895 8.082 1.00 20.20 C +ATOM 1604 O CYS B 9 43.473 43.967 8.580 1.00 20.94 O +ATOM 1605 CB CYS B 9 43.379 44.690 5.677 1.00 21.42 C +ATOM 1606 SG CYS B 9 41.676 44.576 5.078 1.00 23.54 S +ATOM 1607 N ALA B 10 41.674 45.359 8.453 1.00 19.39 N +ATOM 1608 CA ALA B 10 40.958 44.662 9.547 1.00 17.39 C +ATOM 1609 C ALA B 10 39.814 43.854 8.871 1.00 17.39 C +ATOM 1610 O ALA B 10 39.320 44.201 7.820 1.00 18.81 O +ATOM 1611 CB ALA B 10 40.334 45.659 10.494 1.00 18.88 C +ATOM 1612 N VAL B 11 39.458 42.778 9.564 1.00 16.46 N +ATOM 1613 CA VAL B 11 38.380 41.916 9.108 1.00 17.83 C +ATOM 1614 C VAL B 11 37.408 41.788 10.319 1.00 17.32 C +ATOM 1615 O VAL B 11 37.858 41.422 11.408 1.00 19.28 O +ATOM 1616 CB VAL B 11 38.858 40.538 8.731 1.00 16.86 C +ATOM 1617 CG1 VAL B 11 37.720 39.559 8.410 1.00 18.83 C +ATOM 1618 CG2 VAL B 11 39.830 40.589 7.521 1.00 18.79 C +ATOM 1619 N VAL B 12 36.157 42.055 10.048 1.00 16.90 N +ATOM 1620 CA VAL B 12 35.144 41.904 11.117 1.00 18.89 C +ATOM 1621 C VAL B 12 34.155 40.829 10.674 1.00 22.42 C +ATOM 1622 O VAL B 12 33.369 41.088 9.757 1.00 23.34 O +ATOM 1623 CB VAL B 12 34.390 43.230 11.311 1.00 20.44 C +ATOM 1624 CG1 VAL B 12 33.257 43.014 12.350 1.00 21.90 C +ATOM 1625 CG2 VAL B 12 35.359 44.313 11.806 1.00 20.65 C +ATOM 1626 N PRO B 13 34.189 39.638 11.263 1.00 23.03 N +ATOM 1627 CA PRO B 13 33.236 38.579 10.910 1.00 24.23 C +ATOM 1628 C PRO B 13 31.881 39.050 11.464 1.00 27.74 C +ATOM 1629 O PRO B 13 31.787 39.487 12.623 1.00 30.42 O +ATOM 1630 CB PRO B 13 33.753 37.365 11.628 1.00 27.86 C +ATOM 1631 CG PRO B 13 35.093 37.704 12.167 1.00 25.46 C +ATOM 1632 CD PRO B 13 35.127 39.222 12.315 1.00 22.48 C +ATOM 1633 N ALA B 14 30.877 39.159 10.615 1.00 26.38 N +ATOM 1634 CA ALA B 14 29.571 39.682 11.021 1.00 28.36 C +ATOM 1635 C ALA B 14 28.419 38.841 10.490 1.00 30.70 C +ATOM 1636 O ALA B 14 27.418 39.345 9.988 1.00 30.06 O +ATOM 1637 CB ALA B 14 29.459 41.131 10.516 1.00 29.56 C +ATOM 1638 N ALA B 15 28.627 37.526 10.458 1.00 28.78 N +ATOM 1639 CA ALA B 15 27.606 36.602 9.970 1.00 33.45 C +ATOM 1640 C ALA B 15 26.401 36.548 10.895 1.00 33.01 C +ATOM 1641 O ALA B 15 26.450 37.035 12.019 1.00 34.81 O +ATOM 1642 CB ALA B 15 28.195 35.182 9.905 1.00 33.81 C +ATOM 1643 N GLY B 16 25.317 35.896 10.437 1.00 35.85 N +ATOM 1644 CA GLY B 16 24.164 35.742 11.305 1.00 35.80 C +ATOM 1645 C GLY B 16 22.880 36.341 10.863 1.00 39.68 C +ATOM 1646 O GLY B 16 21.799 36.009 11.415 1.00 39.03 O +ATOM 1647 N PHE B 17 22.880 37.268 9.913 1.00 40.20 N +ATOM 1648 CA PHE B 17 21.638 37.910 9.503 1.00 42.13 C +ATOM 1649 C PHE B 17 21.220 37.606 8.092 1.00 42.92 C +ATOM 1650 O PHE B 17 20.513 38.419 7.473 1.00 42.94 O +ATOM 1651 CB PHE B 17 21.737 39.425 9.738 1.00 43.99 C +ATOM 1652 CG PHE B 17 21.490 39.776 11.185 1.00 47.48 C +ATOM 1653 CD1 PHE B 17 22.517 39.665 12.107 1.00 49.75 C +ATOM 1654 CD2 PHE B 17 20.251 40.210 11.603 1.00 49.16 C +ATOM 1655 CE1 PHE B 17 22.306 39.968 13.433 1.00 49.87 C +ATOM 1656 CE2 PHE B 17 20.035 40.544 12.936 1.00 52.04 C +ATOM 1657 CZ PHE B 17 21.061 40.412 13.843 1.00 51.89 C +ATOM 1658 N GLY B 18 21.570 36.440 7.580 1.00 42.78 N +ATOM 1659 CA GLY B 18 21.178 36.067 6.214 1.00 44.54 C +ATOM 1660 C GLY B 18 20.113 34.960 6.283 1.00 45.01 C +ATOM 1661 O GLY B 18 19.445 34.884 7.331 1.00 43.79 O +ATOM 1662 N PRO B 26 23.109 37.243 17.040 1.00 42.66 N +ATOM 1663 CA PRO B 26 24.209 38.196 17.243 1.00 41.94 C +ATOM 1664 C PRO B 26 23.636 39.573 17.518 1.00 40.44 C +ATOM 1665 O PRO B 26 22.576 39.936 17.000 1.00 39.74 O +ATOM 1666 CB PRO B 26 25.023 38.140 15.970 1.00 42.32 C +ATOM 1667 CG PRO B 26 24.646 36.856 15.315 1.00 42.41 C +ATOM 1668 CD PRO B 26 23.182 36.661 15.670 1.00 42.80 C +ATOM 1669 N LYS B 27 24.330 40.323 18.374 1.00 37.83 N +ATOM 1670 CA LYS B 27 23.822 41.635 18.783 1.00 36.03 C +ATOM 1671 C LYS B 27 24.547 42.795 18.156 1.00 34.79 C +ATOM 1672 O LYS B 27 24.419 43.922 18.644 1.00 35.28 O +ATOM 1673 CB LYS B 27 23.993 41.693 20.332 1.00 40.46 C +ATOM 1674 CG LYS B 27 23.415 40.432 21.009 1.00 36.35 C +ATOM 1675 N GLN B 28 25.157 42.600 16.979 1.00 32.30 N +ATOM 1676 CA GLN B 28 25.886 43.674 16.321 1.00 32.03 C +ATOM 1677 C GLN B 28 25.015 44.804 15.837 1.00 31.17 C +ATOM 1678 O GLN B 28 25.487 45.906 15.564 1.00 30.19 O +ATOM 1679 CB GLN B 28 26.712 43.131 15.126 1.00 30.95 C +ATOM 1680 CG GLN B 28 25.837 42.653 13.968 1.00 36.94 C +ATOM 1681 CD GLN B 28 26.438 41.523 13.168 1.00 42.25 C +ATOM 1682 OE1 GLN B 28 27.080 40.623 13.693 1.00 43.75 O +ATOM 1683 NE2 GLN B 28 26.254 41.554 11.838 1.00 44.18 N +ATOM 1684 N TYR B 29 23.714 44.533 15.623 1.00 30.47 N +ATOM 1685 CA TYR B 29 22.833 45.549 15.116 1.00 32.83 C +ATOM 1686 C TYR B 29 22.042 46.282 16.197 1.00 33.41 C +ATOM 1687 O TYR B 29 21.137 47.037 15.790 1.00 34.90 O +ATOM 1688 CB TYR B 29 21.934 45.034 13.994 1.00 32.93 C +ATOM 1689 CG TYR B 29 22.703 44.660 12.743 1.00 31.19 C +ATOM 1690 CD1 TYR B 29 22.659 43.382 12.223 1.00 34.21 C +ATOM 1691 CD2 TYR B 29 23.519 45.600 12.101 1.00 32.52 C +ATOM 1692 CE1 TYR B 29 23.356 43.034 11.062 1.00 32.61 C +ATOM 1693 CE2 TYR B 29 24.221 45.252 10.971 1.00 34.30 C +ATOM 1694 CZ TYR B 29 24.123 43.992 10.444 1.00 34.84 C +ATOM 1695 OH TYR B 29 24.840 43.664 9.308 1.00 37.45 O +ATOM 1696 N LEU B 30 22.316 46.004 17.438 1.00 34.38 N +ATOM 1697 CA LEU B 30 21.753 46.745 18.583 1.00 35.93 C +ATOM 1698 C LEU B 30 22.422 48.134 18.556 1.00 36.79 C +ATOM 1699 O LEU B 30 23.527 48.246 18.007 1.00 33.98 O +ATOM 1700 CB LEU B 30 22.168 46.052 19.887 1.00 38.48 C +ATOM 1701 CG LEU B 30 21.258 44.968 20.440 1.00 40.55 C +ATOM 1702 CD1 LEU B 30 21.922 44.154 21.536 1.00 40.62 C +ATOM 1703 CD2 LEU B 30 19.976 45.609 20.989 1.00 44.78 C +ATOM 1704 N SER B 31 21.775 49.188 19.019 1.00 37.28 N +ATOM 1705 CA SER B 31 22.363 50.516 18.992 1.00 35.72 C +ATOM 1706 C SER B 31 22.797 51.006 20.377 1.00 34.63 C +ATOM 1707 O SER B 31 22.351 50.497 21.413 1.00 35.91 O +ATOM 1708 CB SER B 31 21.391 51.529 18.382 1.00 33.54 C +ATOM 1709 OG SER B 31 21.317 51.459 16.976 1.00 37.48 O +ATOM 1710 N ILE B 32 23.803 51.844 20.409 1.00 32.30 N +ATOM 1711 CA ILE B 32 24.343 52.544 21.547 1.00 30.11 C +ATOM 1712 C ILE B 32 24.440 54.018 21.053 1.00 30.50 C +ATOM 1713 O ILE B 32 25.189 54.320 20.125 1.00 25.21 O +ATOM 1714 CB ILE B 32 25.668 52.129 22.130 1.00 27.87 C +ATOM 1715 CG1 ILE B 32 25.611 50.723 22.762 1.00 32.71 C +ATOM 1716 CG2 ILE B 32 26.163 53.127 23.178 1.00 29.02 C +ATOM 1717 CD1 ILE B 32 27.021 50.157 22.948 1.00 32.54 C +ATOM 1718 N GLY B 33 23.584 54.848 21.625 1.00 29.45 N +ATOM 1719 CA GLY B 33 23.583 56.265 21.166 1.00 31.78 C +ATOM 1720 C GLY B 33 22.931 56.280 19.767 1.00 33.50 C +ATOM 1721 O GLY B 33 21.928 55.585 19.586 1.00 36.28 O +ATOM 1722 N ASN B 34 23.572 56.903 18.826 1.00 32.70 N +ATOM 1723 CA ASN B 34 23.191 57.074 17.461 1.00 36.43 C +ATOM 1724 C ASN B 34 23.789 56.062 16.474 1.00 32.99 C +ATOM 1725 O ASN B 34 23.590 56.248 15.265 1.00 32.77 O +ATOM 1726 CB ASN B 34 23.594 58.492 16.964 1.00 37.42 C +ATOM 1727 CG ASN B 34 25.048 58.717 16.741 1.00 42.78 C +ATOM 1728 OD1 ASN B 34 25.941 57.884 16.925 1.00 47.46 O +ATOM 1729 ND2 ASN B 34 25.434 59.928 16.282 1.00 45.13 N +ATOM 1730 N GLN B 35 24.577 55.121 16.940 1.00 30.70 N +ATOM 1731 CA GLN B 35 25.184 54.117 16.037 1.00 32.90 C +ATOM 1732 C GLN B 35 24.917 52.701 16.476 1.00 28.20 C +ATOM 1733 O GLN B 35 24.781 52.472 17.675 1.00 30.55 O +ATOM 1734 CB GLN B 35 26.748 54.298 16.183 1.00 28.78 C +ATOM 1735 CG GLN B 35 27.241 55.487 15.361 1.00 35.93 C +ATOM 1736 CD GLN B 35 28.755 55.635 15.554 1.00 37.59 C +ATOM 1737 OE1 GLN B 35 29.272 56.737 15.520 1.00 47.01 O +ATOM 1738 NE2 GLN B 35 29.427 54.524 15.786 1.00 36.61 N +ATOM 1739 N THR B 36 25.004 51.726 15.555 1.00 26.33 N +ATOM 1740 CA THR B 36 24.871 50.331 15.961 1.00 26.08 C +ATOM 1741 C THR B 36 26.212 49.903 16.623 1.00 23.49 C +ATOM 1742 O THR B 36 27.222 50.555 16.353 1.00 23.56 O +ATOM 1743 CB THR B 36 24.660 49.374 14.781 1.00 30.73 C +ATOM 1744 OG1 THR B 36 25.800 49.484 13.885 1.00 30.54 O +ATOM 1745 CG2 THR B 36 23.389 49.747 14.018 1.00 29.21 C +ATOM 1746 N ILE B 37 26.193 48.818 17.328 1.00 22.33 N +ATOM 1747 CA ILE B 37 27.408 48.286 17.976 1.00 24.46 C +ATOM 1748 C ILE B 37 28.461 47.987 16.926 1.00 21.85 C +ATOM 1749 O ILE B 37 29.644 48.293 17.094 1.00 21.85 O +ATOM 1750 CB ILE B 37 27.056 46.996 18.752 1.00 27.68 C +ATOM 1751 CG1 ILE B 37 26.370 47.447 20.078 1.00 29.53 C +ATOM 1752 CG2 ILE B 37 28.256 46.144 19.055 1.00 25.35 C +ATOM 1753 CD1 ILE B 37 25.711 46.239 20.756 1.00 33.23 C +ATOM 1754 N LEU B 38 27.987 47.424 15.796 1.00 22.66 N +ATOM 1755 CA LEU B 38 28.972 47.132 14.721 1.00 20.81 C +ATOM 1756 C LEU B 38 29.604 48.420 14.262 1.00 22.58 C +ATOM 1757 O LEU B 38 30.825 48.471 14.020 1.00 21.07 O +ATOM 1758 CB LEU B 38 28.271 46.406 13.575 1.00 23.78 C +ATOM 1759 CG LEU B 38 29.064 46.247 12.275 1.00 26.94 C +ATOM 1760 CD1 LEU B 38 30.208 45.273 12.476 1.00 25.40 C +ATOM 1761 CD2 LEU B 38 28.127 45.726 11.168 1.00 27.31 C +ATOM 1762 N GLU B 39 28.862 49.529 14.131 1.00 20.86 N +ATOM 1763 CA GLU B 39 29.499 50.788 13.718 1.00 21.35 C +ATOM 1764 C GLU B 39 30.470 51.310 14.757 1.00 21.45 C +ATOM 1765 O GLU B 39 31.549 51.813 14.393 1.00 22.51 O +ATOM 1766 CB GLU B 39 28.393 51.837 13.442 1.00 23.81 C +ATOM 1767 CG GLU B 39 27.649 51.373 12.151 1.00 25.25 C +ATOM 1768 CD GLU B 39 26.450 52.324 11.899 1.00 26.70 C +ATOM 1769 OE1 GLU B 39 26.618 53.153 11.020 1.00 31.50 O +ATOM 1770 OE2 GLU B 39 25.445 52.148 12.599 1.00 26.34 O +ATOM 1771 N HIS B 40 30.140 51.172 16.039 1.00 18.33 N +ATOM 1772 CA HIS B 40 31.096 51.619 17.071 1.00 19.74 C +ATOM 1773 C HIS B 40 32.391 50.775 16.960 1.00 21.29 C +ATOM 1774 O HIS B 40 33.502 51.316 17.063 1.00 20.72 O +ATOM 1775 CB HIS B 40 30.509 51.432 18.467 1.00 19.27 C +ATOM 1776 CG HIS B 40 29.468 52.469 18.851 1.00 22.68 C +ATOM 1777 ND1 HIS B 40 29.802 53.728 19.262 1.00 26.80 N +ATOM 1778 CD2 HIS B 40 28.134 52.360 18.958 1.00 22.57 C +ATOM 1779 CE1 HIS B 40 28.690 54.380 19.621 1.00 26.28 C +ATOM 1780 NE2 HIS B 40 27.676 53.568 19.453 1.00 24.27 N +ATOM 1781 N SER B 41 32.235 49.478 16.746 1.00 20.83 N +ATOM 1782 CA SER B 41 33.378 48.573 16.651 1.00 21.25 C +ATOM 1783 C SER B 41 34.229 48.929 15.448 1.00 21.11 C +ATOM 1784 O SER B 41 35.451 49.002 15.565 1.00 21.51 O +ATOM 1785 CB SER B 41 32.976 47.103 16.564 1.00 19.97 C +ATOM 1786 OG SER B 41 32.165 46.744 17.652 1.00 23.99 O +ATOM 1787 N VAL B 42 33.581 49.268 14.316 1.00 19.83 N +ATOM 1788 CA VAL B 42 34.397 49.587 13.128 1.00 21.49 C +ATOM 1789 C VAL B 42 35.083 50.918 13.254 1.00 23.39 C +ATOM 1790 O VAL B 42 36.278 51.068 12.875 1.00 21.62 O +ATOM 1791 CB VAL B 42 33.526 49.504 11.860 1.00 26.36 C +ATOM 1792 CG1 VAL B 42 34.220 50.038 10.624 1.00 25.27 C +ATOM 1793 CG2 VAL B 42 33.099 48.041 11.644 1.00 24.57 C +ATOM 1794 N HIS B 43 34.412 51.926 13.820 1.00 21.55 N +ATOM 1795 CA HIS B 43 35.061 53.232 13.967 1.00 23.98 C +ATOM 1796 C HIS B 43 36.214 53.102 14.970 1.00 20.94 C +ATOM 1797 O HIS B 43 37.186 53.833 14.808 1.00 22.32 O +ATOM 1798 CB HIS B 43 34.119 54.336 14.410 1.00 26.56 C +ATOM 1799 CG HIS B 43 33.215 54.797 13.279 1.00 30.42 C +ATOM 1800 ND1 HIS B 43 33.685 55.384 12.120 1.00 29.69 N +ATOM 1801 CD2 HIS B 43 31.871 54.711 13.168 1.00 31.88 C +ATOM 1802 CE1 HIS B 43 32.643 55.613 11.321 1.00 30.27 C +ATOM 1803 NE2 HIS B 43 31.535 55.236 11.937 1.00 28.58 N +ATOM 1804 N ALA B 44 36.122 52.205 15.934 1.00 21.33 N +ATOM 1805 CA ALA B 44 37.248 52.014 16.883 1.00 19.16 C +ATOM 1806 C ALA B 44 38.486 51.498 16.145 1.00 21.05 C +ATOM 1807 O ALA B 44 39.611 51.942 16.458 1.00 20.29 O +ATOM 1808 CB ALA B 44 36.847 51.027 17.978 1.00 18.65 C +ATOM 1809 N LEU B 45 38.296 50.656 15.121 1.00 18.67 N +ATOM 1810 CA LEU B 45 39.406 50.156 14.321 1.00 18.70 C +ATOM 1811 C LEU B 45 39.988 51.264 13.430 1.00 20.43 C +ATOM 1812 O LEU B 45 41.200 51.272 13.173 1.00 22.88 O +ATOM 1813 CB LEU B 45 38.941 49.001 13.390 1.00 18.84 C +ATOM 1814 CG LEU B 45 38.463 47.740 14.171 1.00 20.67 C +ATOM 1815 CD1 LEU B 45 37.632 46.849 13.246 1.00 21.06 C +ATOM 1816 CD2 LEU B 45 39.630 46.985 14.747 1.00 21.13 C +ATOM 1817 N LEU B 46 39.144 52.132 12.898 1.00 19.84 N +ATOM 1818 CA LEU B 46 39.601 53.214 12.028 1.00 21.39 C +ATOM 1819 C LEU B 46 40.319 54.348 12.766 1.00 18.37 C +ATOM 1820 O LEU B 46 40.899 55.229 12.110 1.00 22.07 O +ATOM 1821 CB LEU B 46 38.390 53.800 11.278 1.00 20.68 C +ATOM 1822 CG LEU B 46 37.793 52.883 10.210 1.00 24.05 C +ATOM 1823 CD1 LEU B 46 36.496 53.443 9.677 1.00 28.76 C +ATOM 1824 CD2 LEU B 46 38.811 52.616 9.119 1.00 24.56 C +ATOM 1825 N ALA B 47 40.377 54.349 14.091 1.00 22.34 N +ATOM 1826 CA ALA B 47 41.103 55.389 14.815 1.00 20.00 C +ATOM 1827 C ALA B 47 42.607 55.376 14.514 1.00 20.88 C +ATOM 1828 O ALA B 47 43.228 56.443 14.691 1.00 23.22 O +ATOM 1829 CB ALA B 47 40.939 55.250 16.316 1.00 20.85 C +ATOM 1830 N HIS B 48 43.204 54.252 14.253 1.00 19.42 N +ATOM 1831 CA HIS B 48 44.628 54.161 13.956 1.00 20.87 C +ATOM 1832 C HIS B 48 44.879 54.363 12.469 1.00 21.95 C +ATOM 1833 O HIS B 48 44.382 53.593 11.628 1.00 22.87 O +ATOM 1834 CB HIS B 48 45.204 52.825 14.394 1.00 23.62 C +ATOM 1835 CG HIS B 48 46.698 52.826 14.554 1.00 22.62 C +ATOM 1836 ND1 HIS B 48 47.597 52.975 13.518 1.00 25.72 N +ATOM 1837 CD2 HIS B 48 47.447 52.733 15.683 1.00 25.64 C +ATOM 1838 CE1 HIS B 48 48.820 52.956 13.978 1.00 23.84 C +ATOM 1839 NE2 HIS B 48 48.764 52.783 15.313 1.00 23.56 N +ATOM 1840 N PRO B 49 45.764 55.298 12.120 1.00 22.01 N +ATOM 1841 CA PRO B 49 46.048 55.574 10.715 1.00 23.77 C +ATOM 1842 C PRO B 49 46.649 54.468 9.929 1.00 24.95 C +ATOM 1843 O PRO B 49 46.473 54.458 8.669 1.00 23.89 O +ATOM 1844 CB PRO B 49 46.928 56.840 10.771 1.00 26.77 C +ATOM 1845 CG PRO B 49 47.528 56.812 12.115 1.00 26.50 C +ATOM 1846 CD PRO B 49 46.476 56.202 13.040 1.00 23.79 C +ATOM 1847 N ARG B 50 47.201 53.405 10.516 1.00 24.13 N +ATOM 1848 CA ARG B 50 47.728 52.282 9.766 1.00 23.23 C +ATOM 1849 C ARG B 50 46.594 51.417 9.204 1.00 23.17 C +ATOM 1850 O ARG B 50 46.859 50.653 8.281 1.00 23.13 O +ATOM 1851 CB ARG B 50 48.638 51.346 10.561 1.00 24.15 C +ATOM 1852 CG ARG B 50 50.044 51.886 10.738 1.00 29.30 C +ATOM 1853 CD ARG B 50 50.913 50.975 11.555 1.00 28.77 C +ATOM 1854 NE ARG B 50 51.073 49.639 10.993 1.00 29.11 N +ATOM 1855 CZ ARG B 50 51.549 48.605 11.661 1.00 27.83 C +ATOM 1856 NH1 ARG B 50 51.931 48.715 12.938 1.00 27.92 N +ATOM 1857 NH2 ARG B 50 51.652 47.428 11.046 1.00 30.32 N +ATOM 1858 N VAL B 51 45.428 51.484 9.848 1.00 23.93 N +ATOM 1859 CA VAL B 51 44.301 50.651 9.351 1.00 20.52 C +ATOM 1860 C VAL B 51 43.746 51.347 8.127 1.00 21.26 C +ATOM 1861 O VAL B 51 43.135 52.419 8.184 1.00 22.63 O +ATOM 1862 CB VAL B 51 43.216 50.539 10.451 1.00 19.37 C +ATOM 1863 CG1 VAL B 51 42.055 49.707 9.903 1.00 21.69 C +ATOM 1864 CG2 VAL B 51 43.833 49.883 11.677 1.00 17.12 C +ATOM 1865 N LYS B 52 43.974 50.727 6.977 1.00 22.49 N +ATOM 1866 CA LYS B 52 43.539 51.385 5.726 1.00 23.73 C +ATOM 1867 C LYS B 52 42.180 50.928 5.265 1.00 24.46 C +ATOM 1868 O LYS B 52 41.606 51.528 4.334 1.00 21.72 O +ATOM 1869 CB LYS B 52 44.563 50.921 4.643 1.00 28.42 C +ATOM 1870 CG LYS B 52 45.979 51.289 4.947 1.00 34.28 C +ATOM 1871 CD LYS B 52 46.212 52.707 5.397 1.00 39.18 C +ATOM 1872 CE LYS B 52 47.732 52.975 5.437 1.00 39.58 C +ATOM 1873 NZ LYS B 52 48.030 54.223 6.193 1.00 45.12 N +ATOM 1874 N ARG B 53 41.779 49.746 5.739 1.00 21.15 N +ATOM 1875 CA ARG B 53 40.493 49.221 5.234 1.00 21.80 C +ATOM 1876 C ARG B 53 39.859 48.288 6.264 1.00 19.79 C +ATOM 1877 O ARG B 53 40.582 47.734 7.091 1.00 21.07 O +ATOM 1878 CB ARG B 53 40.873 48.408 3.967 1.00 25.17 C +ATOM 1879 CG ARG B 53 40.037 47.212 3.659 1.00 35.79 C +ATOM 1880 CD ARG B 53 39.867 47.037 2.136 1.00 41.49 C +ATOM 1881 NE ARG B 53 38.736 47.875 1.764 1.00 45.37 N +ATOM 1882 CZ ARG B 53 38.804 49.124 1.286 1.00 36.97 C +ATOM 1883 NH1 ARG B 53 39.966 49.680 1.109 1.00 42.60 N +ATOM 1884 NH2 ARG B 53 37.640 49.740 1.102 1.00 24.65 N +ATOM 1885 N VAL B 54 38.544 48.272 6.296 1.00 19.50 N +ATOM 1886 CA VAL B 54 37.836 47.315 7.175 1.00 18.26 C +ATOM 1887 C VAL B 54 36.912 46.476 6.271 1.00 18.56 C +ATOM 1888 O VAL B 54 36.034 47.010 5.581 1.00 21.75 O +ATOM 1889 CB VAL B 54 37.068 47.954 8.322 1.00 18.59 C +ATOM 1890 CG1 VAL B 54 36.502 46.847 9.217 1.00 19.91 C +ATOM 1891 CG2 VAL B 54 37.954 48.856 9.174 1.00 19.45 C +ATOM 1892 N VAL B 55 37.158 45.182 6.252 1.00 20.17 N +ATOM 1893 CA VAL B 55 36.389 44.235 5.457 1.00 17.21 C +ATOM 1894 C VAL B 55 35.354 43.606 6.401 1.00 21.05 C +ATOM 1895 O VAL B 55 35.759 42.980 7.389 1.00 20.41 O +ATOM 1896 CB VAL B 55 37.274 43.169 4.845 1.00 18.27 C +ATOM 1897 CG1 VAL B 55 36.393 42.213 3.978 1.00 21.12 C +ATOM 1898 CG2 VAL B 55 38.306 43.763 3.886 1.00 18.88 C +ATOM 1899 N ILE B 56 34.084 43.772 6.102 1.00 19.52 N +ATOM 1900 CA ILE B 56 33.027 43.201 6.935 1.00 19.01 C +ATOM 1901 C ILE B 56 32.447 41.975 6.202 1.00 20.58 C +ATOM 1902 O ILE B 56 32.038 42.109 5.065 1.00 20.38 O +ATOM 1903 CB ILE B 56 31.888 44.238 7.114 1.00 23.17 C +ATOM 1904 CG1 ILE B 56 32.432 45.587 7.577 1.00 28.26 C +ATOM 1905 CG2 ILE B 56 30.849 43.693 8.084 1.00 22.69 C +ATOM 1906 CD1 ILE B 56 32.887 45.670 8.971 1.00 33.18 C +ATOM 1907 N ALA B 57 32.514 40.812 6.842 1.00 19.98 N +ATOM 1908 CA ALA B 57 32.018 39.594 6.173 1.00 20.55 C +ATOM 1909 C ALA B 57 30.625 39.304 6.687 1.00 22.79 C +ATOM 1910 O ALA B 57 30.462 38.992 7.863 1.00 22.87 O +ATOM 1911 CB ALA B 57 33.014 38.464 6.375 1.00 22.34 C +ATOM 1912 N ILE B 58 29.622 39.458 5.812 1.00 22.52 N +ATOM 1913 CA ILE B 58 28.232 39.244 6.257 1.00 24.44 C +ATOM 1914 C ILE B 58 27.689 37.956 5.654 1.00 27.68 C +ATOM 1915 O ILE B 58 28.315 37.369 4.772 1.00 26.36 O +ATOM 1916 CB ILE B 58 27.350 40.431 5.849 1.00 27.52 C +ATOM 1917 CG1 ILE B 58 27.346 40.601 4.322 1.00 30.05 C +ATOM 1918 CG2 ILE B 58 27.814 41.718 6.519 1.00 29.51 C +ATOM 1919 CD1 ILE B 58 26.384 41.656 3.800 1.00 33.80 C +ATOM 1920 N SER B 59 26.577 37.438 6.225 1.00 27.14 N +ATOM 1921 CA SER B 59 26.026 36.210 5.675 1.00 28.80 C +ATOM 1922 C SER B 59 25.216 36.480 4.393 1.00 28.41 C +ATOM 1923 O SER B 59 24.535 37.478 4.307 1.00 29.47 O +ATOM 1924 CB SER B 59 24.992 35.575 6.673 1.00 28.55 C +ATOM 1925 OG SER B 59 25.748 35.116 7.796 1.00 29.80 O +ATOM 1926 N PRO B 60 25.298 35.542 3.476 1.00 31.12 N +ATOM 1927 CA PRO B 60 24.523 35.671 2.225 1.00 34.31 C +ATOM 1928 C PRO B 60 23.075 35.928 2.631 1.00 32.77 C +ATOM 1929 O PRO B 60 22.578 35.257 3.547 1.00 35.62 O +ATOM 1930 CB PRO B 60 24.693 34.318 1.568 1.00 34.78 C +ATOM 1931 CG PRO B 60 25.993 33.792 2.090 1.00 34.27 C +ATOM 1932 CD PRO B 60 26.142 34.349 3.483 1.00 32.87 C +ATOM 1933 N GLY B 61 22.470 36.991 2.149 1.00 35.12 N +ATOM 1934 CA GLY B 61 21.066 37.271 2.505 1.00 36.41 C +ATOM 1935 C GLY B 61 20.917 38.381 3.494 1.00 36.13 C +ATOM 1936 O GLY B 61 19.805 38.782 3.886 1.00 35.82 O +ATOM 1937 N ASP B 62 22.053 38.825 4.077 1.00 34.90 N +ATOM 1938 CA ASP B 62 21.965 39.917 5.058 1.00 34.84 C +ATOM 1939 C ASP B 62 21.699 41.223 4.313 1.00 36.27 C +ATOM 1940 O ASP B 62 22.483 41.610 3.459 1.00 34.97 O +ATOM 1941 CB ASP B 62 23.271 40.007 5.854 1.00 32.56 C +ATOM 1942 CG ASP B 62 23.361 41.137 6.830 1.00 36.12 C +ATOM 1943 OD1 ASP B 62 22.673 42.156 6.608 1.00 38.63 O +ATOM 1944 OD2 ASP B 62 24.128 41.051 7.827 1.00 31.22 O +ATOM 1945 N SER B 63 20.519 41.806 4.548 1.00 35.72 N +ATOM 1946 CA SER B 63 20.218 43.092 3.902 1.00 35.95 C +ATOM 1947 C SER B 63 20.214 44.163 4.989 1.00 36.38 C +ATOM 1948 O SER B 63 19.828 45.305 4.771 1.00 36.97 O +ATOM 1949 CB SER B 63 18.852 43.041 3.203 1.00 38.17 C +ATOM 1950 OG SER B 63 17.886 42.489 4.121 1.00 39.51 O +ATOM 1951 N ARG B 64 20.631 43.777 6.206 1.00 35.68 N +ATOM 1952 CA ARG B 64 20.637 44.738 7.312 1.00 36.18 C +ATOM 1953 C ARG B 64 21.789 45.716 7.192 1.00 35.98 C +ATOM 1954 O ARG B 64 21.634 46.931 7.330 1.00 36.04 O +ATOM 1955 CB ARG B 64 20.699 44.002 8.657 1.00 40.15 C +ATOM 1956 N PHE B 65 22.986 45.184 6.907 1.00 32.78 N +ATOM 1957 CA PHE B 65 24.167 46.000 6.773 1.00 28.88 C +ATOM 1958 C PHE B 65 24.042 47.144 5.794 1.00 29.25 C +ATOM 1959 O PHE B 65 24.480 48.273 6.071 1.00 26.93 O +ATOM 1960 CB PHE B 65 25.394 45.118 6.372 1.00 28.93 C +ATOM 1961 CG PHE B 65 26.645 45.977 6.509 1.00 31.22 C +ATOM 1962 CD1 PHE B 65 27.224 46.150 7.750 1.00 30.85 C +ATOM 1963 CD2 PHE B 65 27.175 46.615 5.405 1.00 32.17 C +ATOM 1964 CE1 PHE B 65 28.332 46.964 7.884 1.00 30.39 C +ATOM 1965 CE2 PHE B 65 28.293 47.426 5.533 1.00 30.92 C +ATOM 1966 CZ PHE B 65 28.876 47.594 6.780 1.00 31.60 C +ATOM 1967 N ALA B 66 23.397 46.937 4.631 1.00 30.58 N +ATOM 1968 CA ALA B 66 23.225 47.940 3.623 1.00 31.33 C +ATOM 1969 C ALA B 66 22.420 49.160 4.065 1.00 32.51 C +ATOM 1970 O ALA B 66 22.515 50.201 3.418 1.00 34.99 O +ATOM 1971 CB ALA B 66 22.589 47.355 2.356 1.00 32.66 C +ATOM 1972 N GLN B 67 21.724 49.058 5.166 1.00 34.13 N +ATOM 1973 CA GLN B 67 20.907 50.087 5.759 1.00 35.53 C +ATOM 1974 C GLN B 67 21.680 51.047 6.632 1.00 35.88 C +ATOM 1975 O GLN B 67 21.222 52.151 6.928 1.00 36.13 O +ATOM 1976 CB GLN B 67 19.765 49.448 6.567 1.00 37.46 C +ATOM 1977 N LEU B 68 22.914 50.686 7.039 1.00 34.80 N +ATOM 1978 CA LEU B 68 23.686 51.566 7.877 1.00 33.90 C +ATOM 1979 C LEU B 68 24.395 52.681 7.137 1.00 32.52 C +ATOM 1980 O LEU B 68 24.927 52.538 6.019 1.00 32.68 O +ATOM 1981 CB LEU B 68 24.784 50.740 8.629 1.00 29.74 C +ATOM 1982 CG LEU B 68 24.302 49.473 9.306 1.00 32.12 C +ATOM 1983 CD1 LEU B 68 25.471 48.734 9.970 1.00 32.77 C +ATOM 1984 CD2 LEU B 68 23.227 49.767 10.341 1.00 33.07 C +ATOM 1985 N PRO B 69 24.630 53.788 7.845 1.00 31.80 N +ATOM 1986 CA PRO B 69 25.386 54.907 7.311 1.00 30.38 C +ATOM 1987 C PRO B 69 26.795 54.419 6.933 1.00 31.87 C +ATOM 1988 O PRO B 69 27.415 54.874 6.007 1.00 31.30 O +ATOM 1989 CB PRO B 69 25.497 55.859 8.503 1.00 33.71 C +ATOM 1990 CG PRO B 69 24.303 55.553 9.346 1.00 34.08 C +ATOM 1991 CD PRO B 69 24.101 54.056 9.198 1.00 32.98 C +ATOM 1992 N LEU B 70 27.303 53.448 7.717 1.00 31.64 N +ATOM 1993 CA LEU B 70 28.625 52.868 7.484 1.00 32.42 C +ATOM 1994 C LEU B 70 28.747 52.197 6.149 1.00 29.88 C +ATOM 1995 O LEU B 70 29.831 52.155 5.538 1.00 32.40 O +ATOM 1996 CB LEU B 70 28.937 51.842 8.608 1.00 29.83 C +ATOM 1997 CG LEU B 70 30.367 51.289 8.594 1.00 29.53 C +ATOM 1998 CD1 LEU B 70 31.364 52.357 9.017 1.00 29.81 C +ATOM 1999 CD2 LEU B 70 30.501 50.050 9.460 1.00 28.91 C +ATOM 2000 N ALA B 71 27.650 51.709 5.541 1.00 31.49 N +ATOM 2001 CA ALA B 71 27.753 51.061 4.232 1.00 31.82 C +ATOM 2002 C ALA B 71 28.280 51.976 3.145 1.00 34.60 C +ATOM 2003 O ALA B 71 28.764 51.499 2.105 1.00 34.87 O +ATOM 2004 CB ALA B 71 26.405 50.461 3.829 1.00 38.69 C +ATOM 2005 N ASN B 72 28.236 53.306 3.330 1.00 33.92 N +ATOM 2006 CA ASN B 72 28.785 54.192 2.295 1.00 34.78 C +ATOM 2007 C ASN B 72 30.160 54.708 2.660 1.00 31.24 C +ATOM 2008 O ASN B 72 30.707 55.589 1.998 1.00 31.21 O +ATOM 2009 CB ASN B 72 27.831 55.351 2.012 1.00 45.41 C +ATOM 2010 CG ASN B 72 26.562 54.905 1.312 1.00 50.80 C +ATOM 2011 OD1 ASN B 72 25.527 55.564 1.435 1.00 58.06 O +ATOM 2012 ND2 ASN B 72 26.623 53.791 0.593 1.00 53.59 N +ATOM 2013 N HIS B 73 30.815 54.145 3.682 1.00 29.41 N +ATOM 2014 CA HIS B 73 32.168 54.652 4.044 1.00 28.99 C +ATOM 2015 C HIS B 73 33.185 54.196 3.035 1.00 29.37 C +ATOM 2016 O HIS B 73 33.203 53.007 2.653 1.00 27.09 O +ATOM 2017 CB HIS B 73 32.469 54.075 5.455 1.00 26.16 C +ATOM 2018 CG HIS B 73 33.598 54.780 6.144 1.00 25.86 C +ATOM 2019 ND1 HIS B 73 34.890 54.735 5.717 1.00 26.84 N +ATOM 2020 CD2 HIS B 73 33.595 55.492 7.300 1.00 28.88 C +ATOM 2021 CE1 HIS B 73 35.671 55.408 6.561 1.00 28.61 C +ATOM 2022 NE2 HIS B 73 34.901 55.880 7.525 1.00 29.57 N +ATOM 2023 N PRO B 74 34.085 55.038 2.554 1.00 29.58 N +ATOM 2024 CA PRO B 74 35.067 54.663 1.561 1.00 31.32 C +ATOM 2025 C PRO B 74 36.086 53.643 1.990 1.00 29.40 C +ATOM 2026 O PRO B 74 36.644 52.937 1.132 1.00 30.86 O +ATOM 2027 CB PRO B 74 35.712 55.984 1.139 1.00 33.43 C +ATOM 2028 CG PRO B 74 35.494 56.875 2.307 1.00 32.93 C +ATOM 2029 CD PRO B 74 34.143 56.494 2.873 1.00 32.01 C +ATOM 2030 N GLN B 75 36.319 53.467 3.305 1.00 25.61 N +ATOM 2031 CA GLN B 75 37.280 52.464 3.756 1.00 24.55 C +ATOM 2032 C GLN B 75 36.635 51.138 4.158 1.00 22.63 C +ATOM 2033 O GLN B 75 37.353 50.264 4.675 1.00 23.88 O +ATOM 2034 CB GLN B 75 38.044 52.997 5.004 1.00 25.29 C +ATOM 2035 CG GLN B 75 38.876 54.237 4.578 1.00 28.93 C +ATOM 2036 CD GLN B 75 39.731 54.689 5.747 1.00 36.73 C +ATOM 2037 OE1 GLN B 75 39.267 55.415 6.626 1.00 37.63 O +ATOM 2038 NE2 GLN B 75 40.976 54.220 5.746 1.00 36.02 N +ATOM 2039 N ILE B 76 35.341 50.987 3.951 1.00 21.53 N +ATOM 2040 CA ILE B 76 34.659 49.722 4.276 1.00 22.20 C +ATOM 2041 C ILE B 76 34.464 48.888 3.034 1.00 22.84 C +ATOM 2042 O ILE B 76 34.159 49.406 1.901 1.00 21.97 O +ATOM 2043 CB ILE B 76 33.300 50.033 4.935 1.00 24.32 C +ATOM 2044 CG1 ILE B 76 33.428 50.227 6.443 1.00 27.23 C +ATOM 2045 CG2 ILE B 76 32.278 48.927 4.685 1.00 25.78 C +ATOM 2046 CD1 ILE B 76 34.598 50.959 6.994 1.00 28.11 C +ATOM 2047 N THR B 77 34.703 47.591 3.156 1.00 21.54 N +ATOM 2048 CA THR B 77 34.493 46.660 2.036 1.00 22.02 C +ATOM 2049 C THR B 77 33.608 45.535 2.575 1.00 24.10 C +ATOM 2050 O THR B 77 33.769 45.178 3.762 1.00 25.25 O +ATOM 2051 CB THR B 77 35.818 46.063 1.546 1.00 22.54 C +ATOM 2052 OG1 THR B 77 36.591 47.113 0.975 1.00 24.28 O +ATOM 2053 CG2 THR B 77 35.546 44.951 0.554 1.00 27.19 C +ATOM 2054 N VAL B 78 32.575 45.170 1.838 1.00 23.30 N +ATOM 2055 CA VAL B 78 31.645 44.129 2.325 1.00 23.23 C +ATOM 2056 C VAL B 78 31.707 42.937 1.407 1.00 23.36 C +ATOM 2057 O VAL B 78 31.634 43.070 0.157 1.00 21.02 O +ATOM 2058 CB VAL B 78 30.192 44.671 2.358 1.00 28.32 C +ATOM 2059 CG1 VAL B 78 29.194 43.617 2.787 1.00 27.30 C +ATOM 2060 CG2 VAL B 78 30.087 45.867 3.314 1.00 29.55 C +ATOM 2061 N VAL B 79 31.921 41.754 1.980 1.00 20.30 N +ATOM 2062 CA VAL B 79 31.985 40.504 1.221 1.00 19.99 C +ATOM 2063 C VAL B 79 31.085 39.498 1.925 1.00 21.55 C +ATOM 2064 O VAL B 79 30.785 39.668 3.095 1.00 22.86 O +ATOM 2065 CB VAL B 79 33.407 39.890 1.157 1.00 18.21 C +ATOM 2066 CG1 VAL B 79 34.421 40.864 0.569 1.00 17.63 C +ATOM 2067 CG2 VAL B 79 33.839 39.475 2.563 1.00 21.64 C +ATOM 2068 N ASP B 80 30.641 38.435 1.209 1.00 22.08 N +ATOM 2069 CA ASP B 80 29.858 37.444 1.927 1.00 23.19 C +ATOM 2070 C ASP B 80 30.875 36.446 2.566 1.00 22.64 C +ATOM 2071 O ASP B 80 31.852 36.127 1.918 1.00 22.75 O +ATOM 2072 CB ASP B 80 28.954 36.627 1.023 1.00 26.44 C +ATOM 2073 CG ASP B 80 27.755 37.428 0.526 1.00 25.20 C +ATOM 2074 OD1 ASP B 80 27.513 38.539 1.008 1.00 29.82 O +ATOM 2075 OD2 ASP B 80 27.057 36.858 -0.359 1.00 29.31 O +ATOM 2076 N GLY B 81 30.554 36.064 3.769 1.00 26.93 N +ATOM 2077 CA GLY B 81 31.402 35.111 4.508 1.00 31.30 C +ATOM 2078 C GLY B 81 30.712 33.752 4.550 1.00 36.91 C +ATOM 2079 O GLY B 81 29.778 33.533 3.781 1.00 37.97 O +ATOM 2080 N GLY B 82 31.240 32.824 5.354 1.00 36.94 N +ATOM 2081 CA GLY B 82 30.649 31.487 5.356 1.00 41.30 C +ATOM 2082 C GLY B 82 29.975 31.060 6.634 1.00 42.89 C +ATOM 2083 O GLY B 82 29.514 31.822 7.467 1.00 43.78 O +ATOM 2084 N ASP B 83 29.875 29.729 6.779 1.00 44.99 N +ATOM 2085 CA ASP B 83 29.245 29.106 7.919 1.00 44.87 C +ATOM 2086 C ASP B 83 29.931 29.444 9.232 1.00 43.12 C +ATOM 2087 O ASP B 83 29.389 30.158 10.080 1.00 44.51 O +ATOM 2088 CB ASP B 83 29.203 27.581 7.703 1.00 45.37 C +ATOM 2089 N GLU B 84 31.198 29.073 9.361 1.00 39.57 N +ATOM 2090 CA GLU B 84 31.889 29.322 10.633 1.00 35.32 C +ATOM 2091 C GLU B 84 32.737 30.564 10.603 1.00 33.31 C +ATOM 2092 O GLU B 84 33.078 31.072 9.529 1.00 32.15 O +ATOM 2093 CB AGLU B 84 32.657 28.083 11.057 0.65 40.57 C +ATOM 2094 CB BGLU B 84 32.721 28.051 10.950 0.35 37.27 C +ATOM 2095 CG AGLU B 84 31.824 26.839 11.265 0.65 45.73 C +ATOM 2096 CG BGLU B 84 31.841 26.838 11.176 0.35 39.64 C +ATOM 2097 CD AGLU B 84 30.459 27.013 11.860 0.65 48.01 C +ATOM 2098 CD BGLU B 84 32.493 25.497 11.278 0.35 40.27 C +ATOM 2099 OE1AGLU B 84 30.158 28.005 12.551 0.65 48.59 O +ATOM 2100 OE1BGLU B 84 33.712 25.329 11.082 0.35 38.21 O +ATOM 2101 OE2AGLU B 84 29.603 26.106 11.633 0.65 50.26 O +ATOM 2102 OE2BGLU B 84 31.752 24.501 11.542 0.35 42.48 O +ATOM 2103 N ARG B 85 33.122 31.065 11.777 1.00 30.14 N +ATOM 2104 CA ARG B 85 33.975 32.265 11.818 1.00 26.42 C +ATOM 2105 C ARG B 85 35.193 32.114 10.951 1.00 26.88 C +ATOM 2106 O ARG B 85 35.631 33.103 10.337 1.00 25.48 O +ATOM 2107 CB ARG B 85 34.370 32.568 13.270 1.00 27.83 C +ATOM 2108 CG ARG B 85 35.202 33.797 13.486 1.00 30.13 C +ATOM 2109 CD ARG B 85 35.530 34.015 14.961 1.00 30.35 C +ATOM 2110 NE ARG B 85 36.386 35.195 15.176 1.00 33.13 N +ATOM 2111 CZ ARG B 85 35.897 36.402 15.446 1.00 33.16 C +ATOM 2112 NH1 ARG B 85 34.576 36.589 15.522 1.00 32.09 N +ATOM 2113 NH2 ARG B 85 36.717 37.425 15.665 1.00 33.00 N +ATOM 2114 N ALA B 86 35.847 30.939 10.934 1.00 26.61 N +ATOM 2115 CA ALA B 86 37.038 30.760 10.124 1.00 25.94 C +ATOM 2116 C ALA B 86 36.756 30.952 8.631 1.00 26.31 C +ATOM 2117 O ALA B 86 37.587 31.597 7.987 1.00 23.73 O +ATOM 2118 CB ALA B 86 37.691 29.404 10.358 1.00 27.80 C +ATOM 2119 N ASP B 87 35.606 30.507 8.125 1.00 25.89 N +ATOM 2120 CA ASP B 87 35.216 30.712 6.735 1.00 26.18 C +ATOM 2121 C ASP B 87 35.011 32.226 6.489 1.00 22.48 C +ATOM 2122 O ASP B 87 35.415 32.704 5.432 1.00 24.68 O +ATOM 2123 CB ASP B 87 33.938 29.975 6.354 1.00 29.45 C +ATOM 2124 CG ASP B 87 34.004 28.460 6.588 1.00 32.55 C +ATOM 2125 OD1 ASP B 87 34.886 27.827 5.992 1.00 33.25 O +ATOM 2126 OD2 ASP B 87 33.159 27.933 7.339 1.00 34.55 O +ATOM 2127 N SER B 88 34.363 32.908 7.419 1.00 21.12 N +ATOM 2128 CA SER B 88 34.185 34.362 7.278 1.00 21.71 C +ATOM 2129 C SER B 88 35.518 35.093 7.221 1.00 23.27 C +ATOM 2130 O SER B 88 35.690 36.031 6.421 1.00 23.47 O +ATOM 2131 CB SER B 88 33.297 34.955 8.346 1.00 28.84 C +ATOM 2132 OG SER B 88 31.969 34.455 8.188 1.00 34.22 O +ATOM 2133 N VAL B 89 36.433 34.794 8.146 1.00 21.05 N +ATOM 2134 CA VAL B 89 37.732 35.464 8.140 1.00 20.93 C +ATOM 2135 C VAL B 89 38.461 35.188 6.860 1.00 20.37 C +ATOM 2136 O VAL B 89 39.009 36.098 6.228 1.00 21.58 O +ATOM 2137 CB VAL B 89 38.599 35.077 9.361 1.00 18.76 C +ATOM 2138 CG1 VAL B 89 39.967 35.720 9.256 1.00 20.78 C +ATOM 2139 CG2 VAL B 89 37.879 35.618 10.633 1.00 19.89 C +ATOM 2140 N LEU B 90 38.431 33.925 6.387 1.00 20.29 N +ATOM 2141 CA LEU B 90 39.106 33.601 5.112 1.00 19.11 C +ATOM 2142 C LEU B 90 38.463 34.375 3.958 1.00 20.14 C +ATOM 2143 O LEU B 90 39.213 34.847 3.055 1.00 21.92 O +ATOM 2144 CB LEU B 90 38.969 32.087 4.849 1.00 23.62 C +ATOM 2145 CG LEU B 90 39.969 31.240 5.687 1.00 26.36 C +ATOM 2146 CD1 LEU B 90 39.694 29.751 5.402 1.00 25.14 C +ATOM 2147 CD2 LEU B 90 41.385 31.519 5.205 1.00 25.83 C +ATOM 2148 N ALA B 91 37.177 34.558 3.986 1.00 20.09 N +ATOM 2149 CA ALA B 91 36.550 35.371 2.881 1.00 20.12 C +ATOM 2150 C ALA B 91 37.050 36.785 2.958 1.00 23.26 C +ATOM 2151 O ALA B 91 37.371 37.455 1.974 1.00 21.35 O +ATOM 2152 CB ALA B 91 35.031 35.335 3.078 1.00 23.44 C +ATOM 2153 N GLY B 92 37.125 37.323 4.202 1.00 21.55 N +ATOM 2154 CA GLY B 92 37.596 38.702 4.360 1.00 20.98 C +ATOM 2155 C GLY B 92 39.001 38.894 3.904 1.00 21.40 C +ATOM 2156 O GLY B 92 39.326 39.943 3.330 1.00 21.32 O +ATOM 2157 N LEU B 93 39.889 37.892 4.115 1.00 20.43 N +ATOM 2158 CA LEU B 93 41.268 38.034 3.699 1.00 21.06 C +ATOM 2159 C LEU B 93 41.454 38.210 2.204 1.00 22.69 C +ATOM 2160 O LEU B 93 42.404 38.850 1.759 1.00 23.05 O +ATOM 2161 CB LEU B 93 42.096 36.772 4.106 1.00 21.37 C +ATOM 2162 CG LEU B 93 42.206 36.559 5.614 1.00 23.25 C +ATOM 2163 CD1 LEU B 93 43.160 35.393 5.900 1.00 24.72 C +ATOM 2164 CD2 LEU B 93 42.741 37.808 6.318 1.00 22.50 C +ATOM 2165 N LYS B 94 40.550 37.655 1.389 1.00 23.78 N +ATOM 2166 CA LYS B 94 40.714 37.823 -0.070 1.00 23.01 C +ATOM 2167 C LYS B 94 40.616 39.280 -0.488 1.00 23.84 C +ATOM 2168 O LYS B 94 41.045 39.631 -1.587 1.00 23.63 O +ATOM 2169 CB LYS B 94 39.589 37.048 -0.770 1.00 20.51 C +ATOM 2170 CG LYS B 94 39.572 35.576 -0.433 1.00 24.14 C +ATOM 2171 CD LYS B 94 38.356 34.885 -1.094 1.00 25.35 C +ATOM 2172 CE LYS B 94 38.442 33.383 -0.776 1.00 27.78 C +ATOM 2173 NZ LYS B 94 37.390 32.634 -1.558 1.00 27.65 N +ATOM 2174 N ALA B 95 40.018 40.124 0.345 1.00 22.12 N +ATOM 2175 CA ALA B 95 39.836 41.532 0.034 1.00 22.47 C +ATOM 2176 C ALA B 95 40.772 42.444 0.781 1.00 25.78 C +ATOM 2177 O ALA B 95 40.593 43.679 0.823 1.00 25.15 O +ATOM 2178 CB ALA B 95 38.369 41.888 0.342 1.00 27.70 C +ATOM 2179 N ALA B 96 41.827 41.883 1.377 1.00 22.98 N +ATOM 2180 CA ALA B 96 42.756 42.713 2.162 1.00 25.63 C +ATOM 2181 C ALA B 96 43.752 43.510 1.363 1.00 29.23 C +ATOM 2182 O ALA B 96 44.603 44.231 1.929 1.00 29.57 O +ATOM 2183 CB ALA B 96 43.448 41.821 3.179 1.00 20.35 C +ATOM 2184 N GLY B 97 43.742 43.361 0.043 1.00 27.81 N +ATOM 2185 CA GLY B 97 44.624 44.181 -0.801 1.00 29.80 C +ATOM 2186 C GLY B 97 46.088 43.873 -0.608 1.00 29.26 C +ATOM 2187 O GLY B 97 46.508 42.727 -0.629 1.00 27.39 O +ATOM 2188 N ASP B 98 46.889 44.918 -0.397 1.00 30.10 N +ATOM 2189 CA ASP B 98 48.326 44.731 -0.223 1.00 30.70 C +ATOM 2190 C ASP B 98 48.755 44.583 1.229 1.00 31.31 C +ATOM 2191 O ASP B 98 49.954 44.464 1.509 1.00 31.40 O +ATOM 2192 CB ASP B 98 49.027 45.997 -0.802 1.00 36.54 C +ATOM 2193 N ALA B 99 47.821 44.567 2.184 1.00 27.17 N +ATOM 2194 CA ALA B 99 48.258 44.449 3.584 1.00 28.81 C +ATOM 2195 C ALA B 99 48.971 43.158 3.888 1.00 28.50 C +ATOM 2196 O ALA B 99 48.534 42.068 3.513 1.00 32.18 O +ATOM 2197 CB ALA B 99 47.039 44.643 4.495 1.00 25.78 C +ATOM 2198 N GLN B 100 50.097 43.223 4.640 1.00 27.56 N +ATOM 2199 CA GLN B 100 50.784 41.979 4.983 1.00 28.01 C +ATOM 2200 C GLN B 100 50.383 41.518 6.403 1.00 25.44 C +ATOM 2201 O GLN B 100 50.646 40.380 6.745 1.00 25.30 O +ATOM 2202 CB GLN B 100 52.291 42.088 4.923 1.00 36.02 C +ATOM 2203 CG GLN B 100 52.824 42.402 3.499 1.00 44.53 C +ATOM 2204 CD GLN B 100 54.330 42.645 3.614 1.00 51.34 C +ATOM 2205 OE1 GLN B 100 55.122 41.713 3.512 1.00 56.53 O +ATOM 2206 NE2 GLN B 100 54.704 43.886 3.891 1.00 53.83 N +ATOM 2207 N TRP B 101 49.764 42.433 7.148 1.00 24.52 N +ATOM 2208 CA TRP B 101 49.283 42.105 8.501 1.00 22.11 C +ATOM 2209 C TRP B 101 47.776 42.361 8.550 1.00 21.20 C +ATOM 2210 O TRP B 101 47.281 43.375 7.992 1.00 21.17 O +ATOM 2211 CB TRP B 101 49.970 42.997 9.548 1.00 24.77 C +ATOM 2212 CG TRP B 101 51.326 42.469 9.942 1.00 27.43 C +ATOM 2213 CD1 TRP B 101 52.478 42.590 9.201 1.00 30.36 C +ATOM 2214 CD2 TRP B 101 51.661 41.735 11.112 1.00 27.18 C +ATOM 2215 NE1 TRP B 101 53.524 41.995 9.873 1.00 32.46 N +ATOM 2216 CE2 TRP B 101 53.049 41.453 11.046 1.00 32.20 C +ATOM 2217 CE3 TRP B 101 50.947 41.295 12.224 1.00 21.70 C +ATOM 2218 CZ2 TRP B 101 53.714 40.743 12.045 1.00 26.32 C +ATOM 2219 CZ3 TRP B 101 51.603 40.593 13.225 1.00 24.95 C +ATOM 2220 CH2 TRP B 101 52.997 40.334 13.126 1.00 27.70 C +ATOM 2221 N VAL B 102 47.039 41.571 9.327 1.00 20.57 N +ATOM 2222 CA VAL B 102 45.582 41.695 9.370 1.00 17.60 C +ATOM 2223 C VAL B 102 45.067 41.662 10.819 1.00 19.39 C +ATOM 2224 O VAL B 102 45.628 40.917 11.618 1.00 19.92 O +ATOM 2225 CB VAL B 102 44.920 40.510 8.616 1.00 25.21 C +ATOM 2226 CG1 VAL B 102 43.402 40.488 8.827 1.00 26.64 C +ATOM 2227 CG2 VAL B 102 45.210 40.651 7.100 1.00 24.08 C +ATOM 2228 N LEU B 103 44.123 42.535 11.116 1.00 18.48 N +ATOM 2229 CA LEU B 103 43.492 42.525 12.464 1.00 19.53 C +ATOM 2230 C LEU B 103 42.129 41.819 12.288 1.00 19.42 C +ATOM 2231 O LEU B 103 41.433 42.137 11.321 1.00 20.49 O +ATOM 2232 CB LEU B 103 43.137 43.956 12.878 1.00 20.77 C +ATOM 2233 CG LEU B 103 44.117 44.986 13.290 1.00 26.36 C +ATOM 2234 CD1 LEU B 103 43.496 46.403 13.269 1.00 24.30 C +ATOM 2235 CD2 LEU B 103 44.666 44.697 14.695 1.00 27.14 C +ATOM 2236 N VAL B 104 41.719 40.988 13.241 1.00 18.00 N +ATOM 2237 CA VAL B 104 40.405 40.338 13.130 1.00 19.37 C +ATOM 2238 C VAL B 104 39.672 40.828 14.397 1.00 19.18 C +ATOM 2239 O VAL B 104 40.253 40.628 15.482 1.00 20.26 O +ATOM 2240 CB VAL B 104 40.468 38.823 13.102 1.00 18.79 C +ATOM 2241 CG1 VAL B 104 39.030 38.273 12.934 1.00 19.19 C +ATOM 2242 CG2 VAL B 104 41.316 38.329 11.919 1.00 16.87 C +ATOM 2243 N HIS B 105 38.563 41.486 14.278 1.00 16.86 N +ATOM 2244 CA HIS B 105 37.942 42.046 15.507 1.00 16.71 C +ATOM 2245 C HIS B 105 36.487 41.621 15.570 1.00 19.03 C +ATOM 2246 O HIS B 105 35.771 41.580 14.583 1.00 19.31 O +ATOM 2247 CB HIS B 105 38.044 43.593 15.445 1.00 17.97 C +ATOM 2248 CG HIS B 105 37.428 44.293 16.627 1.00 19.28 C +ATOM 2249 ND1 HIS B 105 37.883 44.104 17.902 1.00 21.41 N +ATOM 2250 CD2 HIS B 105 36.433 45.211 16.703 1.00 18.95 C +ATOM 2251 CE1 HIS B 105 37.188 44.854 18.760 1.00 21.53 C +ATOM 2252 NE2 HIS B 105 36.290 45.553 18.057 1.00 21.00 N +ATOM 2253 N ASP B 106 36.015 41.399 16.797 1.00 18.42 N +ATOM 2254 CA ASP B 106 34.624 41.017 16.995 1.00 20.95 C +ATOM 2255 C ASP B 106 33.714 42.195 16.673 1.00 20.22 C +ATOM 2256 O ASP B 106 33.822 43.284 17.207 1.00 21.56 O +ATOM 2257 CB ASP B 106 34.376 40.659 18.479 1.00 22.46 C +ATOM 2258 CG ASP B 106 34.861 39.286 18.856 1.00 29.01 C +ATOM 2259 OD1 ASP B 106 35.037 39.035 20.085 1.00 28.50 O +ATOM 2260 OD2 ASP B 106 35.081 38.432 17.975 1.00 25.20 O +ATOM 2261 N ALA B 107 32.673 41.898 15.882 1.00 23.16 N +ATOM 2262 CA ALA B 107 31.687 42.937 15.584 1.00 23.95 C +ATOM 2263 C ALA B 107 31.027 43.421 16.876 1.00 22.82 C +ATOM 2264 O ALA B 107 30.639 44.612 16.907 1.00 24.55 O +ATOM 2265 CB ALA B 107 30.594 42.326 14.677 1.00 22.27 C +ATOM 2266 N ALA B 108 30.915 42.618 17.911 1.00 22.03 N +ATOM 2267 CA ALA B 108 30.250 43.057 19.165 1.00 23.38 C +ATOM 2268 C ALA B 108 31.169 43.482 20.279 1.00 23.72 C +ATOM 2269 O ALA B 108 30.869 43.390 21.486 1.00 22.23 O +ATOM 2270 CB ALA B 108 29.263 41.985 19.614 1.00 22.91 C +ATOM 2271 N ARG B 109 32.337 44.077 19.917 1.00 19.93 N +ATOM 2272 CA ARG B 109 33.281 44.639 20.889 1.00 19.41 C +ATOM 2273 C ARG B 109 33.433 46.110 20.533 1.00 21.97 C +ATOM 2274 O ARG B 109 34.440 46.572 19.971 1.00 21.00 O +ATOM 2275 CB ARG B 109 34.602 43.909 20.983 1.00 18.06 C +ATOM 2276 CG ARG B 109 34.607 42.662 21.862 1.00 21.56 C +ATOM 2277 CD ARG B 109 35.979 41.948 21.875 1.00 19.46 C +ATOM 2278 NE ARG B 109 35.899 40.582 22.374 1.00 21.58 N +ATOM 2279 CZ ARG B 109 35.875 40.173 23.623 1.00 23.52 C +ATOM 2280 NH1 ARG B 109 35.910 41.016 24.668 1.00 21.20 N +ATOM 2281 NH2 ARG B 109 35.793 38.882 23.913 1.00 25.29 N +ATOM 2282 N PRO B 110 32.450 46.935 20.954 1.00 19.53 N +ATOM 2283 CA PRO B 110 32.436 48.331 20.555 1.00 20.36 C +ATOM 2284 C PRO B 110 33.195 49.268 21.431 1.00 19.42 C +ATOM 2285 O PRO B 110 33.280 50.470 21.083 1.00 22.73 O +ATOM 2286 CB PRO B 110 30.898 48.662 20.636 1.00 18.81 C +ATOM 2287 CG PRO B 110 30.548 47.900 21.903 1.00 21.52 C +ATOM 2288 CD PRO B 110 31.218 46.540 21.661 1.00 20.90 C +ATOM 2289 N CYS B 111 33.793 48.810 22.519 1.00 19.38 N +ATOM 2290 CA CYS B 111 34.473 49.632 23.469 1.00 17.41 C +ATOM 2291 C CYS B 111 36.015 49.579 23.329 1.00 21.46 C +ATOM 2292 O CYS B 111 36.671 50.264 24.136 1.00 23.00 O +ATOM 2293 CB CYS B 111 34.119 49.301 24.919 1.00 22.12 C +ATOM 2294 SG CYS B 111 32.351 49.250 25.244 1.00 21.74 S +ATOM 2295 N LEU B 112 36.494 49.062 22.230 1.00 20.58 N +ATOM 2296 CA LEU B 112 37.921 48.970 21.956 1.00 22.32 C +ATOM 2297 C LEU B 112 38.533 50.382 22.011 1.00 24.58 C +ATOM 2298 O LEU B 112 38.052 51.257 21.284 1.00 23.86 O +ATOM 2299 CB LEU B 112 38.167 48.420 20.537 1.00 21.26 C +ATOM 2300 CG LEU B 112 39.613 48.481 20.007 1.00 20.56 C +ATOM 2301 CD1 LEU B 112 40.535 47.699 20.928 1.00 19.95 C +ATOM 2302 CD2 LEU B 112 39.633 47.913 18.588 1.00 22.85 C +ATOM 2303 N HIS B 113 39.573 50.525 22.791 1.00 22.20 N +ATOM 2304 CA HIS B 113 40.254 51.814 22.945 1.00 22.91 C +ATOM 2305 C HIS B 113 41.455 51.899 22.010 1.00 22.32 C +ATOM 2306 O HIS B 113 42.178 50.955 21.804 1.00 21.03 O +ATOM 2307 CB HIS B 113 40.714 51.929 24.423 1.00 24.47 C +ATOM 2308 CG HIS B 113 41.170 53.313 24.757 1.00 30.40 C +ATOM 2309 ND1 HIS B 113 40.408 54.244 25.408 1.00 37.69 N +ATOM 2310 CD2 HIS B 113 42.323 53.936 24.426 1.00 26.82 C +ATOM 2311 CE1 HIS B 113 41.080 55.400 25.517 1.00 29.47 C +ATOM 2312 NE2 HIS B 113 42.265 55.217 24.916 1.00 34.38 N +ATOM 2313 N GLN B 114 41.705 53.131 21.504 1.00 21.91 N +ATOM 2314 CA GLN B 114 42.793 53.382 20.587 1.00 22.59 C +ATOM 2315 C GLN B 114 44.156 53.049 21.163 1.00 24.16 C +ATOM 2316 O GLN B 114 45.028 52.587 20.438 1.00 23.72 O +ATOM 2317 CB GLN B 114 42.704 54.847 20.072 1.00 20.94 C +ATOM 2318 CG GLN B 114 42.873 55.945 21.082 1.00 22.92 C +ATOM 2319 CD GLN B 114 41.602 56.388 21.787 1.00 28.73 C +ATOM 2320 OE1 GLN B 114 40.629 55.628 21.871 1.00 27.21 O +ATOM 2321 NE2 GLN B 114 41.543 57.649 22.269 1.00 27.79 N +ATOM 2322 N ASP B 115 44.337 53.241 22.472 1.00 22.57 N +ATOM 2323 CA ASP B 115 45.579 52.940 23.156 1.00 25.11 C +ATOM 2324 C ASP B 115 45.912 51.450 23.020 1.00 22.18 C +ATOM 2325 O ASP B 115 47.052 51.110 22.772 1.00 24.43 O +ATOM 2326 CB ASP B 115 45.504 53.228 24.657 1.00 28.47 C +ATOM 2327 CG ASP B 115 45.428 54.685 24.977 1.00 32.39 C +ATOM 2328 OD1 ASP B 115 45.241 55.014 26.162 1.00 33.51 O +ATOM 2329 OD2 ASP B 115 45.538 55.510 24.030 1.00 33.05 O +ATOM 2330 N ASP B 116 44.901 50.617 23.277 1.00 21.69 N +ATOM 2331 CA ASP B 116 45.093 49.160 23.164 1.00 20.88 C +ATOM 2332 C ASP B 116 45.389 48.767 21.716 1.00 20.64 C +ATOM 2333 O ASP B 116 46.294 47.991 21.388 1.00 18.58 O +ATOM 2334 CB ASP B 116 43.818 48.469 23.647 1.00 22.97 C +ATOM 2335 CG ASP B 116 43.631 48.542 25.165 1.00 24.27 C +ATOM 2336 OD1 ASP B 116 44.550 48.937 25.893 1.00 24.69 O +ATOM 2337 OD2 ASP B 116 42.567 48.067 25.626 1.00 26.10 O +ATOM 2338 N LEU B 117 44.618 49.323 20.781 1.00 20.74 N +ATOM 2339 CA LEU B 117 44.857 49.029 19.350 1.00 19.69 C +ATOM 2340 C LEU B 117 46.249 49.413 18.929 1.00 21.64 C +ATOM 2341 O LEU B 117 46.951 48.678 18.215 1.00 20.77 O +ATOM 2342 CB LEU B 117 43.794 49.824 18.556 1.00 20.07 C +ATOM 2343 CG LEU B 117 43.882 49.760 17.038 1.00 21.73 C +ATOM 2344 CD1 LEU B 117 43.741 48.312 16.571 1.00 22.57 C +ATOM 2345 CD2 LEU B 117 42.802 50.615 16.402 1.00 22.35 C +ATOM 2346 N ALA B 118 46.742 50.580 19.388 1.00 21.45 N +ATOM 2347 CA ALA B 118 48.090 51.007 19.008 1.00 22.66 C +ATOM 2348 C ALA B 118 49.172 50.094 19.567 1.00 21.60 C +ATOM 2349 O ALA B 118 50.093 49.717 18.836 1.00 22.27 O +ATOM 2350 CB ALA B 118 48.320 52.470 19.436 1.00 22.86 C +ATOM 2351 N ARG B 119 49.021 49.636 20.815 1.00 24.24 N +ATOM 2352 CA ARG B 119 49.940 48.733 21.479 1.00 25.37 C +ATOM 2353 C ARG B 119 49.972 47.394 20.740 1.00 25.27 C +ATOM 2354 O ARG B 119 51.010 46.793 20.486 1.00 24.74 O +ATOM 2355 CB ARG B 119 49.543 48.503 22.952 1.00 26.20 C +ATOM 2356 CG ARG B 119 50.576 47.850 23.834 1.00 31.67 C +ATOM 2357 CD ARG B 119 50.158 47.832 25.326 1.00 39.11 C +ATOM 2358 NE ARG B 119 49.554 49.099 25.715 1.00 38.29 N +ATOM 2359 CZ ARG B 119 48.291 49.259 26.089 1.00 41.08 C +ATOM 2360 NH1 ARG B 119 47.843 50.486 26.376 1.00 38.73 N +ATOM 2361 NH2 ARG B 119 47.461 48.220 26.182 1.00 34.57 N +ATOM 2362 N LEU B 120 48.774 46.919 20.330 1.00 20.77 N +ATOM 2363 CA LEU B 120 48.746 45.670 19.568 1.00 21.93 C +ATOM 2364 C LEU B 120 49.388 45.813 18.193 1.00 21.01 C +ATOM 2365 O LEU B 120 50.198 44.983 17.754 1.00 21.98 O +ATOM 2366 CB LEU B 120 47.283 45.250 19.359 1.00 19.22 C +ATOM 2367 CG LEU B 120 47.099 43.935 18.595 1.00 21.27 C +ATOM 2368 CD1 LEU B 120 47.590 42.749 19.410 1.00 22.90 C +ATOM 2369 CD2 LEU B 120 45.618 43.786 18.224 1.00 19.60 C +ATOM 2370 N LEU B 121 49.124 46.944 17.516 1.00 22.19 N +ATOM 2371 CA LEU B 121 49.690 47.149 16.178 1.00 23.85 C +ATOM 2372 C LEU B 121 51.211 47.244 16.221 1.00 26.68 C +ATOM 2373 O LEU B 121 51.875 46.823 15.271 1.00 24.62 O +ATOM 2374 CB LEU B 121 49.129 48.433 15.529 1.00 24.59 C +ATOM 2375 CG LEU B 121 47.750 48.314 14.917 1.00 29.62 C +ATOM 2376 CD1 LEU B 121 47.389 49.576 14.122 1.00 26.84 C +ATOM 2377 CD2 LEU B 121 47.633 47.091 14.028 1.00 26.45 C +ATOM 2378 N ALA B 122 51.758 47.615 17.373 1.00 29.55 N +ATOM 2379 CA ALA B 122 53.214 47.672 17.546 1.00 32.91 C +ATOM 2380 C ALA B 122 53.847 46.299 17.395 1.00 34.32 C +ATOM 2381 O ALA B 122 55.052 46.205 17.100 1.00 34.18 O +ATOM 2382 CB ALA B 122 53.559 48.268 18.899 1.00 34.83 C +ATOM 2383 N LEU B 123 53.098 45.197 17.541 1.00 32.76 N +ATOM 2384 CA LEU B 123 53.637 43.872 17.343 1.00 34.32 C +ATOM 2385 C LEU B 123 54.200 43.598 15.956 1.00 35.80 C +ATOM 2386 O LEU B 123 55.010 42.644 15.818 1.00 38.23 O +ATOM 2387 CB LEU B 123 52.599 42.785 17.645 1.00 33.93 C +ATOM 2388 CG LEU B 123 52.189 42.511 19.067 1.00 38.07 C +ATOM 2389 CD1 LEU B 123 51.110 41.432 19.149 1.00 36.44 C +ATOM 2390 CD2 LEU B 123 53.382 42.057 19.923 1.00 39.23 C +ATOM 2391 N SER B 124 53.754 44.230 14.896 1.00 36.98 N +ATOM 2392 CA SER B 124 54.245 43.974 13.547 1.00 40.64 C +ATOM 2393 C SER B 124 55.666 44.504 13.339 1.00 44.43 C +ATOM 2394 O SER B 124 56.334 44.142 12.368 1.00 46.79 O +ATOM 2395 CB SER B 124 53.344 44.558 12.488 1.00 39.45 C +ATOM 2396 OG SER B 124 53.319 45.976 12.512 1.00 35.90 O +ATOM 2397 N GLU B 125 56.084 45.426 14.198 1.00 46.75 N +ATOM 2398 CA GLU B 125 57.433 45.986 14.097 1.00 48.82 C +ATOM 2399 C GLU B 125 58.445 44.975 14.654 1.00 49.44 C +ATOM 2400 O GLU B 125 59.541 44.837 14.103 1.00 51.68 O +ATOM 2401 CB GLU B 125 57.530 47.282 14.916 1.00 43.90 C +ATOM 2402 N THR B 126 58.001 44.148 15.580 1.00 49.47 N +ATOM 2403 CA THR B 126 58.806 43.195 16.266 1.00 50.12 C +ATOM 2404 C THR B 126 58.546 41.722 16.170 1.00 49.96 C +ATOM 2405 O THR B 126 59.545 40.967 16.327 1.00 53.44 O +ATOM 2406 CB THR B 126 58.742 43.516 17.816 1.00 52.22 C +ATOM 2407 OG1 THR B 126 58.940 42.283 18.522 1.00 54.42 O +ATOM 2408 CG2 THR B 126 57.382 44.075 18.162 1.00 51.98 C +ATOM 2409 N SER B 127 57.333 41.224 16.063 1.00 47.71 N +ATOM 2410 CA SER B 127 57.050 39.797 16.108 1.00 43.50 C +ATOM 2411 C SER B 127 56.806 39.145 14.767 1.00 41.94 C +ATOM 2412 O SER B 127 56.682 39.847 13.763 1.00 38.83 O +ATOM 2413 CB SER B 127 55.856 39.564 17.051 1.00 47.84 C +ATOM 2414 OG SER B 127 55.239 38.301 16.847 1.00 51.90 O +ATOM 2415 N ARG B 128 56.861 37.800 14.743 1.00 38.70 N +ATOM 2416 CA ARG B 128 56.620 37.082 13.503 1.00 38.09 C +ATOM 2417 C ARG B 128 55.299 36.328 13.537 1.00 37.23 C +ATOM 2418 O ARG B 128 54.844 35.797 12.522 1.00 37.97 O +ATOM 2419 CB ARG B 128 57.720 36.035 13.216 1.00 36.62 C +ATOM 2420 CG ARG B 128 59.116 36.631 13.118 1.00 41.53 C +ATOM 2421 N THR B 129 54.734 36.142 14.743 1.00 34.68 N +ATOM 2422 CA THR B 129 53.519 35.333 14.815 1.00 33.69 C +ATOM 2423 C THR B 129 52.306 36.144 15.255 1.00 32.74 C +ATOM 2424 O THR B 129 51.189 35.609 15.107 1.00 36.90 O +ATOM 2425 CB THR B 129 53.688 34.078 15.660 1.00 39.19 C +ATOM 2426 OG1 THR B 129 54.143 34.420 16.967 1.00 38.58 O +ATOM 2427 CG2 THR B 129 54.692 33.118 15.026 1.00 40.77 C +ATOM 2428 N GLY B 130 52.492 37.358 15.669 1.00 29.78 N +ATOM 2429 CA GLY B 130 51.396 38.243 16.052 1.00 29.69 C +ATOM 2430 C GLY B 130 50.955 37.971 17.499 1.00 30.39 C +ATOM 2431 O GLY B 130 51.664 37.366 18.300 1.00 27.59 O +ATOM 2432 N GLY B 131 49.759 38.437 17.795 1.00 25.90 N +ATOM 2433 CA GLY B 131 49.249 38.323 19.172 1.00 24.28 C +ATOM 2434 C GLY B 131 47.867 38.941 19.243 1.00 24.03 C +ATOM 2435 O GLY B 131 47.272 39.328 18.253 1.00 20.46 O +ATOM 2436 N ILE B 132 47.316 38.875 20.466 1.00 22.37 N +ATOM 2437 CA ILE B 132 45.978 39.353 20.719 1.00 21.03 C +ATOM 2438 C ILE B 132 45.893 40.271 21.934 1.00 22.78 C +ATOM 2439 O ILE B 132 46.779 40.306 22.786 1.00 21.64 O +ATOM 2440 CB ILE B 132 45.072 38.118 20.972 1.00 21.10 C +ATOM 2441 CG1 ILE B 132 45.436 37.485 22.340 1.00 19.83 C +ATOM 2442 CG2 ILE B 132 45.239 37.040 19.894 1.00 18.41 C +ATOM 2443 CD1 ILE B 132 44.370 36.532 22.885 1.00 21.09 C +ATOM 2444 N LEU B 133 44.859 41.141 21.949 1.00 20.58 N +ATOM 2445 CA LEU B 133 44.615 41.879 23.190 1.00 21.19 C +ATOM 2446 C LEU B 133 44.103 40.836 24.215 1.00 20.88 C +ATOM 2447 O LEU B 133 43.310 39.935 23.832 1.00 19.72 O +ATOM 2448 CB LEU B 133 43.510 42.900 23.012 1.00 20.29 C +ATOM 2449 CG LEU B 133 43.883 44.357 22.855 1.00 29.94 C +ATOM 2450 CD1 LEU B 133 45.340 44.682 22.666 1.00 27.49 C +ATOM 2451 CD2 LEU B 133 42.952 45.091 21.954 1.00 18.26 C +ATOM 2452 N ALA B 134 44.408 41.050 25.463 1.00 19.86 N +ATOM 2453 CA ALA B 134 43.948 40.065 26.489 1.00 18.62 C +ATOM 2454 C ALA B 134 43.924 40.731 27.857 1.00 21.21 C +ATOM 2455 O ALA B 134 44.597 41.716 28.064 1.00 20.04 O +ATOM 2456 CB ALA B 134 44.865 38.858 26.473 1.00 21.77 C +ATOM 2457 N ALA B 135 43.109 40.143 28.750 1.00 22.32 N +ATOM 2458 CA ALA B 135 43.019 40.738 30.096 1.00 24.00 C +ATOM 2459 C ALA B 135 43.214 39.607 31.137 1.00 24.57 C +ATOM 2460 O ALA B 135 42.614 38.563 31.019 1.00 23.26 O +ATOM 2461 CB ALA B 135 41.658 41.355 30.305 1.00 25.40 C +ATOM 2462 N PRO B 136 44.150 39.834 32.037 1.00 25.86 N +ATOM 2463 CA PRO B 136 44.444 38.866 33.089 1.00 26.54 C +ATOM 2464 C PRO B 136 43.230 38.621 33.971 1.00 25.62 C +ATOM 2465 O PRO B 136 42.478 39.535 34.280 1.00 25.32 O +ATOM 2466 CB PRO B 136 45.566 39.504 33.901 1.00 27.15 C +ATOM 2467 CG PRO B 136 46.060 40.640 33.089 1.00 32.58 C +ATOM 2468 CD PRO B 136 44.928 41.086 32.191 1.00 27.18 C +ATOM 2469 N VAL B 137 43.080 37.377 34.435 1.00 24.49 N +ATOM 2470 CA VAL B 137 42.001 37.048 35.371 1.00 24.62 C +ATOM 2471 C VAL B 137 42.317 37.667 36.750 1.00 27.58 C +ATOM 2472 O VAL B 137 43.384 37.377 37.288 1.00 29.71 O +ATOM 2473 CB VAL B 137 41.856 35.530 35.500 1.00 24.75 C +ATOM 2474 CG1 VAL B 137 40.884 35.166 36.601 1.00 25.87 C +ATOM 2475 CG2 VAL B 137 41.344 34.994 34.151 1.00 25.57 C +ATOM 2476 N ARG B 138 41.426 38.489 37.245 1.00 28.14 N +ATOM 2477 CA ARG B 138 41.640 39.189 38.520 1.00 29.80 C +ATOM 2478 C ARG B 138 40.710 38.665 39.607 1.00 30.99 C +ATOM 2479 O ARG B 138 40.840 39.088 40.782 1.00 30.33 O +ATOM 2480 CB ARG B 138 41.423 40.690 38.369 1.00 31.90 C +ATOM 2481 CG ARG B 138 42.462 41.438 37.544 1.00 41.27 C +ATOM 2482 CD ARG B 138 43.817 40.807 37.633 1.00 46.03 C +ATOM 2483 NE ARG B 138 44.969 41.662 37.441 1.00 48.42 N +ATOM 2484 CZ ARG B 138 46.215 41.151 37.473 1.00 53.41 C +ATOM 2485 NH1 ARG B 138 46.405 39.852 37.686 1.00 52.60 N +ATOM 2486 NH2 ARG B 138 47.247 41.956 37.274 1.00 54.95 N +ATOM 2487 N ASP B 139 39.779 37.818 39.221 1.00 28.42 N +ATOM 2488 CA ASP B 139 38.824 37.257 40.181 1.00 28.19 C +ATOM 2489 C ASP B 139 39.132 35.784 40.384 1.00 28.48 C +ATOM 2490 O ASP B 139 40.288 35.385 40.229 1.00 30.33 O +ATOM 2491 CB ASP B 139 37.405 37.510 39.736 1.00 29.26 C +ATOM 2492 CG ASP B 139 37.067 36.903 38.373 1.00 32.13 C +ATOM 2493 OD1 ASP B 139 35.861 36.759 38.123 1.00 28.06 O +ATOM 2494 OD2 ASP B 139 37.966 36.571 37.571 1.00 29.65 O +ATOM 2495 N THR B 140 38.158 35.004 40.812 1.00 26.28 N +ATOM 2496 CA THR B 140 38.412 33.582 41.091 1.00 27.79 C +ATOM 2497 C THR B 140 37.457 32.777 40.202 1.00 25.38 C +ATOM 2498 O THR B 140 36.347 33.263 39.908 1.00 28.04 O +ATOM 2499 CB THR B 140 38.097 33.230 42.554 1.00 27.40 C +ATOM 2500 OG1 THR B 140 36.746 33.624 42.792 1.00 34.13 O +ATOM 2501 CG2 THR B 140 39.007 33.999 43.499 1.00 29.73 C +ATOM 2502 N MET B 141 37.981 31.675 39.702 1.00 22.41 N +ATOM 2503 CA MET B 141 37.152 30.900 38.764 1.00 22.52 C +ATOM 2504 C MET B 141 36.969 29.473 39.268 1.00 21.34 C +ATOM 2505 O MET B 141 37.794 28.948 39.976 1.00 24.40 O +ATOM 2506 CB MET B 141 37.844 30.873 37.382 1.00 21.13 C +ATOM 2507 CG MET B 141 37.572 32.261 36.718 1.00 26.28 C +ATOM 2508 SD MET B 141 38.019 32.277 35.010 1.00 27.78 S +ATOM 2509 CE MET B 141 37.650 34.044 34.656 1.00 26.50 C +ATOM 2510 N LYS B 142 35.824 28.899 38.913 1.00 22.05 N +ATOM 2511 CA LYS B 142 35.485 27.546 39.279 1.00 21.78 C +ATOM 2512 C LYS B 142 35.200 26.709 38.035 1.00 23.22 C +ATOM 2513 O LYS B 142 34.617 27.208 37.058 1.00 22.47 O +ATOM 2514 CB LYS B 142 34.198 27.537 40.158 1.00 20.52 C +ATOM 2515 CG LYS B 142 34.300 28.459 41.381 1.00 17.32 C +ATOM 2516 CD LYS B 142 35.386 28.000 42.369 1.00 23.68 C +ATOM 2517 CE LYS B 142 35.283 28.816 43.656 1.00 23.20 C +ATOM 2518 NZ LYS B 142 36.103 28.220 44.796 1.00 20.49 N +ATOM 2519 N ARG B 143 35.590 25.456 38.048 1.00 21.39 N +ATOM 2520 CA ARG B 143 35.280 24.548 36.939 1.00 23.34 C +ATOM 2521 C ARG B 143 34.119 23.647 37.405 1.00 23.22 C +ATOM 2522 O ARG B 143 34.231 23.038 38.470 1.00 23.38 O +ATOM 2523 CB ARG B 143 36.491 23.698 36.589 1.00 23.58 C +ATOM 2524 CG ARG B 143 36.174 22.510 35.691 1.00 28.86 C +ATOM 2525 CD ARG B 143 35.720 22.979 34.335 1.00 32.94 C +ATOM 2526 NE ARG B 143 36.570 23.720 33.523 1.00 38.55 N +ATOM 2527 CZ ARG B 143 37.812 23.975 33.385 1.00 34.57 C +ATOM 2528 NH1 ARG B 143 38.285 24.764 32.391 1.00 26.84 N +ATOM 2529 NH2 ARG B 143 38.648 23.463 34.306 1.00 45.84 N +ATOM 2530 N ALA B 144 33.038 23.602 36.653 1.00 23.35 N +ATOM 2531 CA ALA B 144 31.892 22.792 37.028 1.00 25.29 C +ATOM 2532 C ALA B 144 32.080 21.311 36.706 1.00 28.39 C +ATOM 2533 O ALA B 144 32.859 20.982 35.800 1.00 26.94 O +ATOM 2534 CB ALA B 144 30.667 23.292 36.225 1.00 25.95 C +ATOM 2535 N GLU B 145 31.390 20.447 37.427 1.00 25.53 N +ATOM 2536 CA GLU B 145 31.465 18.998 37.077 1.00 27.98 C +ATOM 2537 C GLU B 145 30.826 18.893 35.697 1.00 29.83 C +ATOM 2538 O GLU B 145 29.859 19.599 35.389 1.00 30.21 O +ATOM 2539 CB GLU B 145 30.642 18.198 38.099 1.00 32.49 C +ATOM 2540 CG GLU B 145 31.179 18.239 39.504 1.00 36.74 C +ATOM 2541 CD GLU B 145 30.302 17.552 40.534 1.00 41.65 C +ATOM 2542 OE1 GLU B 145 30.844 17.096 41.549 1.00 43.78 O +ATOM 2543 OE2 GLU B 145 29.069 17.462 40.322 1.00 45.26 O +ATOM 2544 N PRO B 146 31.267 17.971 34.850 1.00 32.75 N +ATOM 2545 CA PRO B 146 30.721 17.840 33.512 1.00 33.99 C +ATOM 2546 C PRO B 146 29.227 17.646 33.470 1.00 33.55 C +ATOM 2547 O PRO B 146 28.679 16.804 34.195 1.00 36.74 O +ATOM 2548 CB PRO B 146 31.452 16.599 32.955 1.00 35.23 C +ATOM 2549 CG PRO B 146 32.751 16.616 33.685 1.00 36.00 C +ATOM 2550 CD PRO B 146 32.369 17.016 35.119 1.00 33.60 C +ATOM 2551 N GLY B 147 28.514 18.525 32.778 1.00 34.30 N +ATOM 2552 CA GLY B 147 27.083 18.468 32.619 1.00 36.56 C +ATOM 2553 C GLY B 147 26.249 18.680 33.865 1.00 37.52 C +ATOM 2554 O GLY B 147 25.035 18.389 33.853 1.00 37.91 O +ATOM 2555 N LYS B 148 26.814 19.311 34.884 1.00 33.80 N +ATOM 2556 CA LYS B 148 26.112 19.563 36.156 1.00 32.76 C +ATOM 2557 C LYS B 148 26.475 20.971 36.645 1.00 31.37 C +ATOM 2558 O LYS B 148 27.585 21.414 36.330 1.00 32.86 O +ATOM 2559 CB LYS B 148 26.622 18.525 37.160 1.00 34.18 C +ATOM 2560 N ASN B 149 25.604 21.680 37.342 1.00 30.54 N +ATOM 2561 CA ASN B 149 25.973 23.013 37.828 1.00 30.52 C +ATOM 2562 C ASN B 149 26.425 22.920 39.310 1.00 31.02 C +ATOM 2563 O ASN B 149 25.759 23.437 40.202 1.00 28.76 O +ATOM 2564 CB ASN B 149 24.919 24.075 37.704 1.00 36.56 C +ATOM 2565 CG ASN B 149 24.525 24.336 36.253 1.00 38.57 C +ATOM 2566 OD1 ASN B 149 25.397 24.658 35.442 1.00 37.29 O +ATOM 2567 ND2 ASN B 149 23.244 24.164 35.979 1.00 40.85 N +ATOM 2568 N ALA B 150 27.416 22.102 39.511 1.00 28.82 N +ATOM 2569 CA ALA B 150 28.063 21.883 40.793 1.00 28.35 C +ATOM 2570 C ALA B 150 29.570 22.067 40.529 1.00 26.54 C +ATOM 2571 O ALA B 150 30.081 21.786 39.437 1.00 26.67 O +ATOM 2572 CB ALA B 150 27.795 20.565 41.435 1.00 27.37 C +ATOM 2573 N ILE B 151 30.236 22.626 41.505 1.00 23.20 N +ATOM 2574 CA ILE B 151 31.668 22.879 41.381 1.00 23.88 C +ATOM 2575 C ILE B 151 32.503 21.613 41.450 1.00 24.47 C +ATOM 2576 O ILE B 151 32.441 20.868 42.459 1.00 23.98 O +ATOM 2577 CB ILE B 151 32.114 23.823 42.538 1.00 21.18 C +ATOM 2578 CG1 ILE B 151 31.448 25.206 42.275 1.00 22.68 C +ATOM 2579 CG2 ILE B 151 33.622 23.999 42.551 1.00 24.76 C +ATOM 2580 CD1 ILE B 151 31.810 26.216 43.381 1.00 27.05 C +ATOM 2581 N ALA B 152 33.353 21.438 40.449 1.00 22.62 N +ATOM 2582 CA ALA B 152 34.347 20.356 40.469 1.00 25.52 C +ATOM 2583 C ALA B 152 35.562 20.819 41.243 1.00 26.40 C +ATOM 2584 O ALA B 152 35.898 20.268 42.306 1.00 26.92 O +ATOM 2585 CB ALA B 152 34.728 19.927 39.066 1.00 27.39 C +ATOM 2586 N HIS B 153 36.191 21.933 40.828 1.00 24.18 N +ATOM 2587 CA HIS B 153 37.341 22.465 41.509 1.00 24.92 C +ATOM 2588 C HIS B 153 37.599 23.943 41.165 1.00 25.22 C +ATOM 2589 O HIS B 153 37.028 24.438 40.206 1.00 24.65 O +ATOM 2590 CB HIS B 153 38.636 21.709 41.128 1.00 28.82 C +ATOM 2591 CG HIS B 153 38.762 21.484 39.640 1.00 27.86 C +ATOM 2592 ND1 HIS B 153 39.280 22.430 38.805 1.00 33.45 N +ATOM 2593 CD2 HIS B 153 38.496 20.378 38.889 1.00 24.30 C +ATOM 2594 CE1 HIS B 153 39.300 21.960 37.554 1.00 27.60 C +ATOM 2595 NE2 HIS B 153 38.801 20.730 37.569 1.00 28.52 N +ATOM 2596 N THR B 154 38.507 24.529 41.915 1.00 24.16 N +ATOM 2597 CA THR B 154 38.949 25.903 41.650 1.00 26.18 C +ATOM 2598 C THR B 154 39.965 25.856 40.508 1.00 27.33 C +ATOM 2599 O THR B 154 40.768 24.914 40.409 1.00 29.03 O +ATOM 2600 CB THR B 154 39.531 26.566 42.886 1.00 30.22 C +ATOM 2601 OG1 THR B 154 38.471 26.610 43.876 1.00 27.73 O +ATOM 2602 CG2 THR B 154 39.984 28.014 42.656 1.00 27.11 C +ATOM 2603 N VAL B 155 39.869 26.833 39.613 1.00 23.78 N +ATOM 2604 CA VAL B 155 40.854 26.856 38.499 1.00 27.06 C +ATOM 2605 C VAL B 155 41.972 27.815 38.903 1.00 26.51 C +ATOM 2606 O VAL B 155 41.687 28.943 39.270 1.00 31.59 O +ATOM 2607 CB VAL B 155 40.199 27.310 37.194 1.00 25.94 C +ATOM 2608 CG1 VAL B 155 41.289 27.505 36.098 1.00 27.28 C +ATOM 2609 CG2 VAL B 155 39.173 26.292 36.703 1.00 28.31 C +ATOM 2610 N ASP B 156 43.225 27.388 38.755 1.00 28.98 N +ATOM 2611 CA ASP B 156 44.350 28.274 39.093 1.00 28.70 C +ATOM 2612 C ASP B 156 44.281 29.521 38.198 1.00 29.19 C +ATOM 2613 O ASP B 156 44.360 29.335 36.963 1.00 29.80 O +ATOM 2614 CB ASP B 156 45.652 27.523 38.750 1.00 34.59 C +ATOM 2615 CG ASP B 156 46.899 28.303 39.093 1.00 37.07 C +ATOM 2616 OD1 ASP B 156 46.840 29.473 39.512 1.00 33.65 O +ATOM 2617 OD2 ASP B 156 47.998 27.710 38.942 1.00 46.11 O +ATOM 2618 N ARG B 157 44.309 30.710 38.746 1.00 28.75 N +ATOM 2619 CA ARG B 157 44.231 31.912 37.908 1.00 28.83 C +ATOM 2620 C ARG B 157 45.585 32.465 37.519 1.00 30.40 C +ATOM 2621 O ARG B 157 45.670 33.372 36.664 1.00 28.47 O +ATOM 2622 CB ARG B 157 43.366 32.983 38.536 1.00 32.91 C +ATOM 2623 CG ARG B 157 44.060 33.752 39.632 1.00 37.57 C +ATOM 2624 CD ARG B 157 43.086 34.632 40.404 1.00 41.65 C +ATOM 2625 NE ARG B 157 43.753 35.141 41.599 1.00 44.54 N +ATOM 2626 CZ ARG B 157 43.393 36.187 42.309 1.00 46.87 C +ATOM 2627 NH1 ARG B 157 42.336 36.906 41.966 1.00 50.63 N +ATOM 2628 NH2 ARG B 157 44.089 36.522 43.397 1.00 44.20 N +ATOM 2629 N ASN B 158 46.678 31.916 38.061 1.00 30.73 N +ATOM 2630 CA ASN B 158 48.008 32.410 37.662 1.00 31.35 C +ATOM 2631 C ASN B 158 48.283 32.114 36.181 1.00 28.35 C +ATOM 2632 O ASN B 158 48.193 30.985 35.715 1.00 26.63 O +ATOM 2633 CB ASN B 158 49.074 31.773 38.553 1.00 38.59 C +ATOM 2634 CG ASN B 158 49.048 32.325 39.965 1.00 46.40 C +ATOM 2635 OD1 ASN B 158 48.314 33.268 40.289 1.00 47.02 O +ATOM 2636 ND2 ASN B 158 49.839 31.723 40.859 1.00 49.25 N +ATOM 2637 N GLY B 159 48.650 33.149 35.434 1.00 28.38 N +ATOM 2638 CA GLY B 159 48.880 33.068 34.006 1.00 25.95 C +ATOM 2639 C GLY B 159 47.613 32.805 33.197 1.00 23.80 C +ATOM 2640 O GLY B 159 47.727 32.369 32.019 1.00 22.86 O +ATOM 2641 N LEU B 160 46.444 33.028 33.737 1.00 23.79 N +ATOM 2642 CA LEU B 160 45.162 32.803 33.023 1.00 23.89 C +ATOM 2643 C LEU B 160 44.669 34.156 32.523 1.00 22.86 C +ATOM 2644 O LEU B 160 44.637 35.174 33.251 1.00 22.79 O +ATOM 2645 CB LEU B 160 44.091 32.183 33.929 1.00 26.52 C +ATOM 2646 CG LEU B 160 42.796 31.708 33.218 1.00 24.73 C +ATOM 2647 CD1 LEU B 160 43.048 30.613 32.191 1.00 23.34 C +ATOM 2648 CD2 LEU B 160 41.784 31.208 34.275 1.00 24.32 C +ATOM 2649 N TRP B 161 44.348 34.205 31.215 1.00 24.31 N +ATOM 2650 CA TRP B 161 43.922 35.442 30.593 1.00 20.27 C +ATOM 2651 C TRP B 161 42.648 35.336 29.757 1.00 19.76 C +ATOM 2652 O TRP B 161 42.374 34.288 29.164 1.00 21.60 O +ATOM 2653 CB TRP B 161 45.012 35.822 29.530 1.00 24.41 C +ATOM 2654 CG TRP B 161 46.326 36.203 30.141 1.00 24.32 C +ATOM 2655 CD1 TRP B 161 47.254 35.397 30.693 1.00 23.74 C +ATOM 2656 CD2 TRP B 161 46.871 37.528 30.159 1.00 26.29 C +ATOM 2657 NE1 TRP B 161 48.342 36.139 31.124 1.00 24.50 N +ATOM 2658 CE2 TRP B 161 48.137 37.448 30.771 1.00 28.53 C +ATOM 2659 CE3 TRP B 161 46.425 38.766 29.691 1.00 23.52 C +ATOM 2660 CZ2 TRP B 161 48.944 38.566 30.958 1.00 31.61 C +ATOM 2661 CZ3 TRP B 161 47.221 39.876 29.864 1.00 28.91 C +ATOM 2662 CH2 TRP B 161 48.475 39.775 30.521 1.00 32.50 C +ATOM 2663 N HIS B 162 41.886 36.423 29.718 1.00 19.29 N +ATOM 2664 CA HIS B 162 40.723 36.449 28.816 1.00 21.26 C +ATOM 2665 C HIS B 162 41.243 36.821 27.403 1.00 21.40 C +ATOM 2666 O HIS B 162 41.898 37.853 27.307 1.00 21.60 O +ATOM 2667 CB HIS B 162 39.845 37.630 29.219 1.00 22.91 C +ATOM 2668 CG HIS B 162 39.027 37.378 30.457 1.00 23.22 C +ATOM 2669 ND1 HIS B 162 37.686 37.132 30.412 1.00 25.43 N +ATOM 2670 CD2 HIS B 162 39.427 37.306 31.761 1.00 24.74 C +ATOM 2671 CE1 HIS B 162 37.239 36.935 31.657 1.00 26.99 C +ATOM 2672 NE2 HIS B 162 38.286 37.043 32.481 1.00 24.19 N +ATOM 2673 N ALA B 163 40.933 36.044 26.383 1.00 21.20 N +ATOM 2674 CA ALA B 163 41.363 36.523 25.037 1.00 19.59 C +ATOM 2675 C ALA B 163 40.353 37.584 24.589 1.00 18.93 C +ATOM 2676 O ALA B 163 39.158 37.313 24.679 1.00 22.71 O +ATOM 2677 CB ALA B 163 41.217 35.364 24.064 1.00 19.96 C +ATOM 2678 N LEU B 164 40.815 38.741 24.193 1.00 17.96 N +ATOM 2679 CA LEU B 164 39.910 39.789 23.650 1.00 19.21 C +ATOM 2680 C LEU B 164 40.191 39.914 22.157 1.00 18.86 C +ATOM 2681 O LEU B 164 40.804 39.029 21.556 1.00 18.72 O +ATOM 2682 CB LEU B 164 40.233 41.122 24.345 1.00 16.80 C +ATOM 2683 CG LEU B 164 40.292 40.953 25.913 1.00 17.53 C +ATOM 2684 CD1 LEU B 164 40.719 42.292 26.514 1.00 19.92 C +ATOM 2685 CD2 LEU B 164 38.932 40.517 26.388 1.00 20.29 C +ATOM 2686 N THR B 165 39.710 40.978 21.510 1.00 17.64 N +ATOM 2687 CA THR B 165 40.084 41.196 20.097 1.00 17.07 C +ATOM 2688 C THR B 165 40.311 42.711 20.031 1.00 16.73 C +ATOM 2689 O THR B 165 39.789 43.470 20.876 1.00 19.77 O +ATOM 2690 CB THR B 165 39.019 40.744 19.094 1.00 17.54 C +ATOM 2691 OG1 THR B 165 37.896 41.643 19.075 1.00 18.38 O +ATOM 2692 CG2 THR B 165 38.470 39.355 19.398 1.00 19.68 C +ATOM 2693 N PRO B 166 41.013 43.204 19.014 1.00 16.31 N +ATOM 2694 CA PRO B 166 41.497 42.437 17.934 1.00 18.04 C +ATOM 2695 C PRO B 166 42.570 41.413 18.165 1.00 21.32 C +ATOM 2696 O PRO B 166 43.225 41.358 19.206 1.00 20.13 O +ATOM 2697 CB PRO B 166 42.071 43.513 16.944 1.00 18.99 C +ATOM 2698 CG PRO B 166 41.361 44.770 17.314 1.00 18.24 C +ATOM 2699 CD PRO B 166 41.186 44.681 18.844 1.00 17.89 C +ATOM 2700 N GLN B 167 42.726 40.556 17.140 1.00 17.19 N +ATOM 2701 CA GLN B 167 43.745 39.508 17.096 1.00 21.20 C +ATOM 2702 C GLN B 167 44.533 39.855 15.785 1.00 22.22 C +ATOM 2703 O GLN B 167 43.926 40.018 14.729 1.00 21.57 O +ATOM 2704 CB GLN B 167 43.148 38.131 17.115 1.00 19.04 C +ATOM 2705 CG GLN B 167 42.220 37.984 18.370 1.00 18.09 C +ATOM 2706 CD GLN B 167 42.053 36.570 18.831 1.00 18.73 C +ATOM 2707 OE1 GLN B 167 42.406 35.636 18.150 1.00 18.50 O +ATOM 2708 NE2 GLN B 167 41.563 36.404 20.087 1.00 16.73 N +ATOM 2709 N PHE B 168 45.828 40.044 15.981 1.00 19.76 N +ATOM 2710 CA PHE B 168 46.656 40.615 14.888 1.00 19.53 C +ATOM 2711 C PHE B 168 47.748 39.672 14.441 1.00 21.57 C +ATOM 2712 O PHE B 168 48.556 39.242 15.256 1.00 20.81 O +ATOM 2713 CB PHE B 168 47.226 41.902 15.452 1.00 18.29 C +ATOM 2714 CG PHE B 168 48.030 42.752 14.501 1.00 19.63 C +ATOM 2715 CD1 PHE B 168 49.320 43.131 14.877 1.00 24.50 C +ATOM 2716 CD2 PHE B 168 47.504 43.233 13.330 1.00 20.67 C +ATOM 2717 CE1 PHE B 168 50.052 43.974 14.037 1.00 22.18 C +ATOM 2718 CE2 PHE B 168 48.235 44.035 12.472 1.00 22.05 C +ATOM 2719 CZ PHE B 168 49.503 44.420 12.852 1.00 21.47 C +ATOM 2720 N PHE B 169 47.709 39.307 13.144 1.00 20.67 N +ATOM 2721 CA PHE B 169 48.678 38.301 12.671 1.00 20.14 C +ATOM 2722 C PHE B 169 49.112 38.606 11.236 1.00 21.97 C +ATOM 2723 O PHE B 169 48.397 39.243 10.444 1.00 22.29 O +ATOM 2724 CB PHE B 169 47.920 36.946 12.537 1.00 22.45 C +ATOM 2725 CG PHE B 169 47.259 36.484 13.802 1.00 20.89 C +ATOM 2726 CD1 PHE B 169 45.889 36.586 13.972 1.00 24.79 C +ATOM 2727 CD2 PHE B 169 48.043 35.991 14.839 1.00 23.92 C +ATOM 2728 CE1 PHE B 169 45.305 36.194 15.167 1.00 26.16 C +ATOM 2729 CE2 PHE B 169 47.455 35.610 16.023 1.00 29.32 C +ATOM 2730 CZ PHE B 169 46.088 35.716 16.209 1.00 23.35 C +ATOM 2731 N PRO B 170 50.246 38.039 10.862 1.00 23.63 N +ATOM 2732 CA PRO B 170 50.676 38.116 9.459 1.00 24.48 C +ATOM 2733 C PRO B 170 49.581 37.437 8.614 1.00 23.89 C +ATOM 2734 O PRO B 170 49.088 36.366 8.894 1.00 25.11 O +ATOM 2735 CB PRO B 170 51.973 37.329 9.423 1.00 25.00 C +ATOM 2736 CG PRO B 170 52.477 37.405 10.826 1.00 25.74 C +ATOM 2737 CD PRO B 170 51.194 37.240 11.673 1.00 23.15 C +ATOM 2738 N ARG B 171 49.259 38.082 7.488 1.00 24.06 N +ATOM 2739 CA ARG B 171 48.198 37.651 6.603 1.00 23.74 C +ATOM 2740 C ARG B 171 48.310 36.249 6.075 1.00 24.96 C +ATOM 2741 O ARG B 171 47.372 35.439 6.184 1.00 25.17 O +ATOM 2742 CB ARG B 171 48.134 38.651 5.410 1.00 20.90 C +ATOM 2743 CG ARG B 171 46.960 38.282 4.492 1.00 28.00 C +ATOM 2744 CD ARG B 171 46.836 39.370 3.441 1.00 26.64 C +ATOM 2745 NE ARG B 171 45.994 38.930 2.332 1.00 29.31 N +ATOM 2746 CZ ARG B 171 45.792 39.797 1.297 1.00 29.57 C +ATOM 2747 NH1 ARG B 171 45.016 39.417 0.316 1.00 26.31 N +ATOM 2748 NH2 ARG B 171 46.362 40.991 1.358 1.00 31.47 N +ATOM 2749 N GLU B 172 49.468 35.890 5.536 1.00 26.86 N +ATOM 2750 CA GLU B 172 49.653 34.554 4.977 1.00 27.11 C +ATOM 2751 C GLU B 172 49.644 33.496 6.058 1.00 25.57 C +ATOM 2752 O GLU B 172 49.052 32.420 5.884 1.00 27.29 O +ATOM 2753 CB GLU B 172 50.947 34.536 4.135 1.00 36.94 C +ATOM 2754 CG GLU B 172 51.202 33.207 3.466 1.00 45.89 C +ATOM 2755 CD GLU B 172 52.288 33.230 2.408 1.00 49.45 C +ATOM 2756 OE1 GLU B 172 53.412 33.696 2.684 1.00 49.91 O +ATOM 2757 OE2 GLU B 172 51.998 32.753 1.283 1.00 53.08 O +ATOM 2758 N LEU B 173 50.314 33.786 7.178 1.00 25.52 N +ATOM 2759 CA LEU B 173 50.319 32.848 8.300 1.00 25.94 C +ATOM 2760 C LEU B 173 48.888 32.610 8.758 1.00 25.58 C +ATOM 2761 O LEU B 173 48.425 31.466 8.900 1.00 24.19 O +ATOM 2762 CB LEU B 173 51.178 33.385 9.452 1.00 30.65 C +ATOM 2763 CG LEU B 173 51.304 32.521 10.706 1.00 28.09 C +ATOM 2764 CD1 LEU B 173 51.997 31.193 10.360 1.00 34.86 C +ATOM 2765 CD2 LEU B 173 52.044 33.216 11.828 1.00 31.12 C +ATOM 2766 N LEU B 174 48.133 33.713 8.901 1.00 24.25 N +ATOM 2767 CA LEU B 174 46.749 33.504 9.360 1.00 25.71 C +ATOM 2768 C LEU B 174 45.972 32.663 8.358 1.00 22.63 C +ATOM 2769 O LEU B 174 45.189 31.779 8.697 1.00 24.63 O +ATOM 2770 CB LEU B 174 46.046 34.856 9.558 1.00 23.96 C +ATOM 2771 CG LEU B 174 44.575 34.753 9.960 1.00 23.24 C +ATOM 2772 CD1 LEU B 174 44.436 34.077 11.319 1.00 25.01 C +ATOM 2773 CD2 LEU B 174 44.007 36.189 10.070 1.00 23.00 C +ATOM 2774 N HIS B 175 46.068 33.048 7.073 1.00 22.79 N +ATOM 2775 CA HIS B 175 45.376 32.310 6.040 1.00 23.20 C +ATOM 2776 C HIS B 175 45.684 30.813 6.080 1.00 24.12 C +ATOM 2777 O HIS B 175 44.808 29.955 5.999 1.00 23.74 O +ATOM 2778 CB HIS B 175 45.800 32.868 4.669 1.00 23.45 C +ATOM 2779 CG HIS B 175 45.352 32.014 3.516 1.00 28.18 C +ATOM 2780 ND1 HIS B 175 46.044 30.874 3.152 1.00 28.03 N +ATOM 2781 CD2 HIS B 175 44.295 32.108 2.690 1.00 26.43 C +ATOM 2782 CE1 HIS B 175 45.422 30.289 2.146 1.00 30.43 C +ATOM 2783 NE2 HIS B 175 44.354 31.020 1.834 1.00 25.87 N +ATOM 2784 N ASP B 176 46.966 30.503 6.076 1.00 23.41 N +ATOM 2785 CA ASP B 176 47.412 29.110 5.998 1.00 26.12 C +ATOM 2786 C ASP B 176 46.958 28.281 7.181 1.00 27.30 C +ATOM 2787 O ASP B 176 46.493 27.151 7.061 1.00 27.59 O +ATOM 2788 CB ASP B 176 48.915 29.059 5.843 1.00 29.00 C +ATOM 2789 CG ASP B 176 49.407 29.610 4.523 1.00 29.45 C +ATOM 2790 OD1 ASP B 176 48.575 29.905 3.644 1.00 31.51 O +ATOM 2791 OD2 ASP B 176 50.654 29.769 4.404 1.00 32.98 O +ATOM 2792 N CYS B 177 47.072 28.929 8.351 1.00 28.26 N +ATOM 2793 CA CYS B 177 46.673 28.247 9.546 1.00 28.12 C +ATOM 2794 C CYS B 177 45.184 28.025 9.657 1.00 28.73 C +ATOM 2795 O CYS B 177 44.698 26.956 10.061 1.00 29.34 O +ATOM 2796 CB CYS B 177 47.193 29.041 10.753 1.00 30.02 C +ATOM 2797 SG ACYS B 177 48.936 28.945 11.122 0.65 26.98 S +ATOM 2798 SG BCYS B 177 46.439 28.285 12.154 0.35 27.47 S +ATOM 2799 N LEU B 178 44.361 29.045 9.289 1.00 26.02 N +ATOM 2800 CA LEU B 178 42.917 28.818 9.316 1.00 23.12 C +ATOM 2801 C LEU B 178 42.512 27.751 8.302 1.00 23.57 C +ATOM 2802 O LEU B 178 41.647 26.890 8.549 1.00 25.87 O +ATOM 2803 CB LEU B 178 42.155 30.117 8.952 1.00 21.00 C +ATOM 2804 CG LEU B 178 42.135 31.161 10.064 1.00 24.45 C +ATOM 2805 CD1 LEU B 178 41.544 32.449 9.489 1.00 23.01 C +ATOM 2806 CD2 LEU B 178 41.335 30.668 11.256 1.00 26.05 C +ATOM 2807 N THR B 179 43.178 27.729 7.167 1.00 24.80 N +ATOM 2808 CA THR B 179 42.895 26.707 6.143 1.00 23.81 C +ATOM 2809 C THR B 179 43.269 25.312 6.682 1.00 25.04 C +ATOM 2810 O THR B 179 42.498 24.376 6.475 1.00 27.84 O +ATOM 2811 CB THR B 179 43.666 27.016 4.868 1.00 28.28 C +ATOM 2812 OG1 THR B 179 43.278 28.369 4.423 1.00 24.91 O +ATOM 2813 CG2 THR B 179 43.416 26.014 3.766 1.00 30.07 C +ATOM 2814 N ARG B 180 44.444 25.153 7.256 1.00 26.93 N +ATOM 2815 CA ARG B 180 44.823 23.836 7.830 1.00 28.75 C +ATOM 2816 C ARG B 180 43.779 23.407 8.877 1.00 30.52 C +ATOM 2817 O ARG B 180 43.304 22.271 8.899 1.00 31.83 O +ATOM 2818 CB ARG B 180 46.163 23.959 8.551 1.00 34.37 C +ATOM 2819 CG ARG B 180 47.413 23.731 7.751 1.00 40.31 C +ATOM 2820 CD ARG B 180 48.588 23.308 8.629 1.00 43.54 C +ATOM 2821 NE ARG B 180 48.304 22.114 9.417 1.00 45.48 N +ATOM 2822 CZ ARG B 180 48.997 21.748 10.502 1.00 44.55 C +ATOM 2823 NH1 ARG B 180 48.669 20.637 11.158 1.00 41.53 N +ATOM 2824 NH2 ARG B 180 50.005 22.494 10.925 1.00 46.15 N +ATOM 2825 N ALA B 181 43.423 24.340 9.775 1.00 29.25 N +ATOM 2826 CA ALA B 181 42.448 24.055 10.814 1.00 33.19 C +ATOM 2827 C ALA B 181 41.155 23.512 10.254 1.00 34.68 C +ATOM 2828 O ALA B 181 40.608 22.517 10.774 1.00 37.49 O +ATOM 2829 CB ALA B 181 42.230 25.244 11.731 1.00 30.76 C +ATOM 2830 N LEU B 182 40.627 24.144 9.204 1.00 35.12 N +ATOM 2831 CA LEU B 182 39.410 23.683 8.570 1.00 37.24 C +ATOM 2832 C LEU B 182 39.604 22.354 7.847 1.00 37.40 C +ATOM 2833 O LEU B 182 38.807 21.437 8.056 1.00 39.95 O +ATOM 2834 CB LEU B 182 38.877 24.709 7.556 1.00 36.73 C +ATOM 2835 CG LEU B 182 38.248 25.956 8.165 1.00 35.24 C +ATOM 2836 CD1 LEU B 182 38.102 27.045 7.100 1.00 35.26 C +ATOM 2837 CD2 LEU B 182 36.908 25.614 8.820 1.00 36.21 C +ATOM 2838 N ASN B 183 40.657 22.229 7.049 1.00 36.56 N +ATOM 2839 CA ASN B 183 40.927 21.021 6.292 1.00 36.89 C +ATOM 2840 C ASN B 183 41.128 19.792 7.190 1.00 38.90 C +ATOM 2841 O ASN B 183 40.875 18.662 6.752 1.00 40.47 O +ATOM 2842 CB ASN B 183 42.171 21.193 5.412 1.00 40.22 C +ATOM 2843 CG ASN B 183 41.975 22.183 4.285 1.00 43.27 C +ATOM 2844 OD1 ASN B 183 40.838 22.539 3.963 1.00 49.70 O +ATOM 2845 ND2 ASN B 183 43.056 22.623 3.657 1.00 44.86 N +ATOM 2846 N GLU B 184 41.583 19.997 8.411 1.00 37.98 N +ATOM 2847 CA GLU B 184 41.811 18.858 9.304 1.00 41.84 C +ATOM 2848 C GLU B 184 40.719 18.704 10.331 1.00 42.48 C +ATOM 2849 O GLU B 184 40.857 17.910 11.271 1.00 45.16 O +ATOM 2850 CB GLU B 184 43.183 19.016 9.948 1.00 39.60 C +ATOM 2851 CG GLU B 184 44.296 19.009 8.902 1.00 35.82 C +ATOM 2852 CD GLU B 184 45.589 19.544 9.453 1.00 33.71 C +ATOM 2853 OE1 GLU B 184 46.410 20.023 8.649 1.00 37.30 O +ATOM 2854 OE2 GLU B 184 45.821 19.486 10.679 1.00 40.18 O +ATOM 2855 N GLY B 185 39.642 19.458 10.192 1.00 43.86 N +ATOM 2856 CA GLY B 185 38.506 19.427 11.080 1.00 45.07 C +ATOM 2857 C GLY B 185 38.855 19.688 12.526 1.00 45.84 C +ATOM 2858 O GLY B 185 38.374 19.005 13.445 1.00 47.53 O +ATOM 2859 N ALA B 186 39.707 20.666 12.785 1.00 44.53 N +ATOM 2860 CA ALA B 186 40.120 21.039 14.120 1.00 42.23 C +ATOM 2861 C ALA B 186 39.037 21.929 14.750 1.00 43.00 C +ATOM 2862 O ALA B 186 38.358 22.684 14.035 1.00 41.27 O +ATOM 2863 CB ALA B 186 41.427 21.807 14.100 1.00 43.71 C +ATOM 2864 N THR B 187 38.833 21.756 16.038 1.00 40.96 N +ATOM 2865 CA THR B 187 37.806 22.582 16.713 1.00 40.66 C +ATOM 2866 C THR B 187 38.500 23.819 17.251 1.00 39.81 C +ATOM 2867 O THR B 187 39.418 23.720 18.059 1.00 42.96 O +ATOM 2868 CB THR B 187 37.041 21.799 17.762 1.00 47.49 C +ATOM 2869 OG1 THR B 187 36.640 22.643 18.859 1.00 48.61 O +ATOM 2870 CG2 THR B 187 37.852 20.625 18.289 1.00 46.19 C +ATOM 2871 N ILE B 188 38.181 24.972 16.674 1.00 35.63 N +ATOM 2872 CA ILE B 188 38.788 26.238 17.049 1.00 33.57 C +ATOM 2873 C ILE B 188 37.775 27.256 17.551 1.00 27.33 C +ATOM 2874 O ILE B 188 36.571 27.143 17.278 1.00 28.64 O +ATOM 2875 CB ILE B 188 39.511 26.864 15.835 1.00 32.70 C +ATOM 2876 CG1 ILE B 188 38.585 26.832 14.618 1.00 37.94 C +ATOM 2877 CG2 ILE B 188 40.804 26.101 15.551 1.00 36.08 C +ATOM 2878 CD1 ILE B 188 39.140 27.602 13.421 1.00 41.27 C +ATOM 2879 N THR B 189 38.250 28.281 18.207 1.00 27.35 N +ATOM 2880 CA THR B 189 37.346 29.343 18.740 1.00 26.13 C +ATOM 2881 C THR B 189 37.792 30.675 18.154 1.00 26.24 C +ATOM 2882 O THR B 189 37.235 31.151 17.147 1.00 27.50 O +ATOM 2883 CB THR B 189 37.417 29.387 20.273 1.00 27.91 C +ATOM 2884 OG1 THR B 189 38.809 29.311 20.660 1.00 26.23 O +ATOM 2885 CG2 THR B 189 36.675 28.183 20.865 1.00 35.75 C +ATOM 2886 N ASP B 190 38.857 31.262 18.694 1.00 22.91 N +ATOM 2887 CA ASP B 190 39.323 32.529 18.116 1.00 20.68 C +ATOM 2888 C ASP B 190 40.440 32.256 17.113 1.00 21.05 C +ATOM 2889 O ASP B 190 40.798 31.087 16.867 1.00 20.81 O +ATOM 2890 CB ASP B 190 39.767 33.478 19.215 1.00 20.10 C +ATOM 2891 CG ASP B 190 40.908 32.956 20.078 1.00 20.77 C +ATOM 2892 OD1 ASP B 190 41.389 31.841 19.857 1.00 20.30 O +ATOM 2893 OD2 ASP B 190 41.296 33.721 20.976 1.00 21.46 O +ATOM 2894 N GLU B 191 40.923 33.331 16.492 1.00 19.59 N +ATOM 2895 CA GLU B 191 41.998 33.173 15.490 1.00 21.53 C +ATOM 2896 C GLU B 191 43.267 32.697 16.173 1.00 23.12 C +ATOM 2897 O GLU B 191 44.019 31.894 15.620 1.00 23.35 O +ATOM 2898 CB GLU B 191 42.247 34.495 14.748 1.00 19.22 C +ATOM 2899 CG GLU B 191 41.133 34.846 13.758 1.00 19.39 C +ATOM 2900 CD GLU B 191 39.850 35.243 14.469 1.00 21.22 C +ATOM 2901 OE1 GLU B 191 39.912 35.938 15.504 1.00 25.80 O +ATOM 2902 OE2 GLU B 191 38.792 34.807 14.004 1.00 23.14 O +ATOM 2903 N ALA B 192 43.481 33.138 17.440 1.00 21.39 N +ATOM 2904 CA ALA B 192 44.704 32.642 18.110 1.00 21.04 C +ATOM 2905 C ALA B 192 44.668 31.132 18.243 1.00 21.62 C +ATOM 2906 O ALA B 192 45.749 30.494 18.114 1.00 23.97 O +ATOM 2907 CB ALA B 192 44.809 33.305 19.468 1.00 17.59 C +ATOM 2908 N SER B 193 43.506 30.541 18.471 1.00 19.90 N +ATOM 2909 CA SER B 193 43.374 29.083 18.632 1.00 23.09 C +ATOM 2910 C SER B 193 43.780 28.349 17.361 1.00 26.49 C +ATOM 2911 O SER B 193 44.320 27.226 17.411 1.00 22.41 O +ATOM 2912 CB SER B 193 42.010 28.653 19.122 1.00 26.76 C +ATOM 2913 OG SER B 193 41.004 28.757 18.096 1.00 25.70 O +ATOM 2914 N ALA B 194 43.514 28.961 16.212 1.00 24.82 N +ATOM 2915 CA ALA B 194 43.978 28.368 14.960 1.00 27.43 C +ATOM 2916 C ALA B 194 45.508 28.416 14.980 1.00 27.04 C +ATOM 2917 O ALA B 194 46.129 27.406 14.516 1.00 27.31 O +ATOM 2918 CB ALA B 194 43.419 29.172 13.779 1.00 25.45 C +ATOM 2919 N LEU B 195 46.138 29.527 15.299 1.00 24.81 N +ATOM 2920 CA LEU B 195 47.613 29.622 15.300 1.00 26.06 C +ATOM 2921 C LEU B 195 48.196 28.587 16.252 1.00 27.78 C +ATOM 2922 O LEU B 195 49.241 27.937 15.982 1.00 29.41 O +ATOM 2923 CB LEU B 195 48.127 30.993 15.629 1.00 25.57 C +ATOM 2924 CG LEU B 195 48.384 32.036 14.544 1.00 31.79 C +ATOM 2925 CD1 LEU B 195 49.557 31.648 13.679 1.00 34.20 C +ATOM 2926 CD2 LEU B 195 47.138 32.265 13.684 1.00 27.31 C +ATOM 2927 N GLU B 196 47.568 28.475 17.410 1.00 25.78 N +ATOM 2928 CA GLU B 196 47.987 27.501 18.418 1.00 26.39 C +ATOM 2929 C GLU B 196 47.896 26.104 17.839 1.00 27.44 C +ATOM 2930 O GLU B 196 48.876 25.357 17.964 1.00 26.27 O +ATOM 2931 CB GLU B 196 47.068 27.605 19.656 1.00 27.02 C +ATOM 2932 CG GLU B 196 47.221 28.942 20.376 1.00 25.65 C +ATOM 2933 CD GLU B 196 45.975 29.264 21.213 1.00 25.99 C +ATOM 2934 OE1 GLU B 196 45.356 28.326 21.723 1.00 25.91 O +ATOM 2935 OE2 GLU B 196 45.636 30.456 21.297 1.00 25.43 O +ATOM 2936 N TYR B 197 46.797 25.763 17.165 1.00 26.73 N +ATOM 2937 CA TYR B 197 46.628 24.475 16.520 1.00 28.41 C +ATOM 2938 C TYR B 197 47.770 24.171 15.567 1.00 31.32 C +ATOM 2939 O TYR B 197 48.186 22.982 15.457 1.00 30.51 O +ATOM 2940 CB TYR B 197 45.324 24.352 15.725 1.00 28.75 C +ATOM 2941 CG TYR B 197 45.189 23.040 14.973 1.00 30.20 C +ATOM 2942 CD1 TYR B 197 45.380 22.988 13.598 1.00 27.55 C +ATOM 2943 CD2 TYR B 197 44.936 21.849 15.658 1.00 32.93 C +ATOM 2944 CE1 TYR B 197 45.272 21.792 12.908 1.00 28.62 C +ATOM 2945 CE2 TYR B 197 44.842 20.648 14.959 1.00 33.00 C +ATOM 2946 CZ TYR B 197 45.042 20.625 13.610 1.00 32.12 C +ATOM 2947 OH TYR B 197 44.934 19.441 12.897 1.00 33.43 O +ATOM 2948 N CYS B 198 48.273 25.170 14.879 1.00 31.58 N +ATOM 2949 CA CYS B 198 49.377 25.032 13.946 1.00 33.09 C +ATOM 2950 C CYS B 198 50.743 25.030 14.570 1.00 33.85 C +ATOM 2951 O CYS B 198 51.750 24.974 13.851 1.00 31.95 O +ATOM 2952 CB CYS B 198 49.244 26.096 12.833 1.00 38.89 C +ATOM 2953 SG CYS B 198 47.686 25.731 11.943 1.00 37.37 S +ATOM 2954 N GLY B 199 50.817 25.109 15.899 1.00 30.75 N +ATOM 2955 CA GLY B 199 52.078 25.038 16.615 1.00 31.41 C +ATOM 2956 C GLY B 199 52.676 26.314 17.034 1.00 31.51 C +ATOM 2957 O GLY B 199 53.815 26.381 17.538 1.00 35.04 O +ATOM 2958 N PHE B 200 51.926 27.442 16.923 1.00 26.45 N +ATOM 2959 CA PHE B 200 52.482 28.734 17.294 1.00 25.45 C +ATOM 2960 C PHE B 200 52.020 29.249 18.644 1.00 25.08 C +ATOM 2961 O PHE B 200 51.084 28.713 19.239 1.00 24.53 O +ATOM 2962 CB PHE B 200 52.115 29.760 16.177 1.00 28.40 C +ATOM 2963 CG PHE B 200 52.746 29.364 14.854 1.00 31.10 C +ATOM 2964 CD1 PHE B 200 54.088 29.531 14.635 1.00 33.82 C +ATOM 2965 CD2 PHE B 200 51.949 28.831 13.853 1.00 33.66 C +ATOM 2966 CE1 PHE B 200 54.661 29.175 13.412 1.00 32.75 C +ATOM 2967 CE2 PHE B 200 52.501 28.493 12.632 1.00 35.54 C +ATOM 2968 CZ PHE B 200 53.856 28.681 12.431 1.00 32.72 C +ATOM 2969 N HIS B 201 52.665 30.288 19.171 1.00 26.79 N +ATOM 2970 CA HIS B 201 52.348 30.853 20.484 1.00 27.68 C +ATOM 2971 C HIS B 201 52.242 32.338 20.455 1.00 27.61 C +ATOM 2972 O HIS B 201 53.160 33.102 20.808 1.00 27.28 O +ATOM 2973 CB HIS B 201 53.525 30.430 21.464 1.00 27.41 C +ATOM 2974 CG HIS B 201 53.465 28.940 21.674 1.00 29.45 C +ATOM 2975 ND1 HIS B 201 54.279 28.092 20.911 1.00 35.96 N +ATOM 2976 CD2 HIS B 201 52.705 28.137 22.423 1.00 22.89 C +ATOM 2977 CE1 HIS B 201 54.000 26.838 21.239 1.00 29.02 C +ATOM 2978 NE2 HIS B 201 53.071 26.832 22.152 1.00 32.79 N +ATOM 2979 N PRO B 202 51.094 32.876 19.975 1.00 26.48 N +ATOM 2980 CA PRO B 202 50.916 34.301 19.861 1.00 27.43 C +ATOM 2981 C PRO B 202 51.103 35.084 21.131 1.00 27.40 C +ATOM 2982 O PRO B 202 50.789 34.638 22.238 1.00 27.08 O +ATOM 2983 CB PRO B 202 49.504 34.443 19.290 1.00 25.66 C +ATOM 2984 CG PRO B 202 49.179 33.124 18.683 1.00 27.20 C +ATOM 2985 CD PRO B 202 49.936 32.092 19.525 1.00 26.74 C +ATOM 2986 N GLN B 203 51.548 36.327 21.035 1.00 28.06 N +ATOM 2987 CA GLN B 203 51.770 37.181 22.182 1.00 27.20 C +ATOM 2988 C GLN B 203 50.463 37.631 22.831 1.00 29.38 C +ATOM 2989 O GLN B 203 49.417 37.750 22.178 1.00 27.60 O +ATOM 2990 CB GLN B 203 52.509 38.469 21.736 1.00 34.62 C +ATOM 2991 CG GLN B 203 53.954 38.251 21.321 1.00 40.01 C +ATOM 2992 CD GLN B 203 54.773 37.782 22.524 1.00 45.72 C +ATOM 2993 OE1 GLN B 203 54.830 38.507 23.517 1.00 47.15 O +ATOM 2994 NE2 GLN B 203 55.293 36.567 22.432 1.00 49.28 N +ATOM 2995 N LEU B 204 50.539 37.818 24.153 1.00 26.21 N +ATOM 2996 CA LEU B 204 49.424 38.364 24.907 1.00 24.70 C +ATOM 2997 C LEU B 204 49.733 39.845 25.157 1.00 27.12 C +ATOM 2998 O LEU B 204 50.804 40.171 25.715 1.00 27.91 O +ATOM 2999 CB LEU B 204 49.198 37.645 26.220 1.00 24.96 C +ATOM 3000 CG LEU B 204 48.829 36.164 26.099 1.00 27.42 C +ATOM 3001 CD1 LEU B 204 49.160 35.464 27.422 1.00 28.99 C +ATOM 3002 CD2 LEU B 204 47.357 36.001 25.786 1.00 24.90 C +ATOM 3003 N VAL B 205 48.974 40.728 24.543 1.00 22.22 N +ATOM 3004 CA VAL B 205 49.189 42.170 24.751 1.00 23.36 C +ATOM 3005 C VAL B 205 48.091 42.606 25.712 1.00 24.48 C +ATOM 3006 O VAL B 205 46.908 42.504 25.425 1.00 23.20 O +ATOM 3007 CB VAL B 205 49.121 42.989 23.464 1.00 23.02 C +ATOM 3008 CG1 VAL B 205 49.291 44.462 23.724 1.00 25.29 C +ATOM 3009 CG2 VAL B 205 50.185 42.479 22.471 1.00 24.95 C +ATOM 3010 N GLU B 206 48.520 43.040 26.914 1.00 23.25 N +ATOM 3011 CA GLU B 206 47.484 43.404 27.883 1.00 21.95 C +ATOM 3012 C GLU B 206 46.687 44.617 27.461 1.00 24.23 C +ATOM 3013 O GLU B 206 47.216 45.674 27.097 1.00 26.51 O +ATOM 3014 CB GLU B 206 48.075 43.640 29.284 1.00 27.61 C +ATOM 3015 CG GLU B 206 46.942 43.979 30.267 1.00 27.86 C +ATOM 3016 CD GLU B 206 47.446 43.980 31.714 1.00 34.04 C +ATOM 3017 OE1 GLU B 206 46.622 44.291 32.581 1.00 32.66 O +ATOM 3018 OE2 GLU B 206 48.642 43.706 31.931 1.00 32.92 O +ATOM 3019 N GLY B 207 45.353 44.457 27.459 1.00 22.13 N +ATOM 3020 CA GLY B 207 44.448 45.503 27.084 1.00 25.60 C +ATOM 3021 C GLY B 207 43.455 45.784 28.190 1.00 24.49 C +ATOM 3022 O GLY B 207 43.434 45.017 29.188 1.00 27.11 O +ATOM 3023 N ARG B 208 42.684 46.840 28.057 1.00 24.40 N +ATOM 3024 CA ARG B 208 41.700 47.191 29.066 1.00 23.76 C +ATOM 3025 C ARG B 208 40.621 46.111 29.172 1.00 27.02 C +ATOM 3026 O ARG B 208 40.125 45.606 28.201 1.00 24.97 O +ATOM 3027 CB ARG B 208 41.027 48.510 28.753 1.00 27.10 C +ATOM 3028 CG ARG B 208 41.950 49.705 28.628 1.00 25.67 C +ATOM 3029 CD ARG B 208 41.243 50.800 27.832 1.00 33.79 C +ATOM 3030 NE ARG B 208 40.029 51.258 28.535 1.00 33.51 N +ATOM 3031 CZ ARG B 208 40.031 52.460 29.138 1.00 41.99 C +ATOM 3032 NH1 ARG B 208 38.960 52.910 29.766 1.00 42.30 N +ATOM 3033 NH2 ARG B 208 41.147 53.192 29.099 1.00 43.59 N +ATOM 3034 N ALA B 209 40.215 45.812 30.433 1.00 24.03 N +ATOM 3035 CA ALA B 209 39.167 44.828 30.647 1.00 24.53 C +ATOM 3036 C ALA B 209 37.799 45.318 30.253 1.00 23.71 C +ATOM 3037 O ALA B 209 36.844 44.527 30.126 1.00 24.48 O +ATOM 3038 CB ALA B 209 39.191 44.401 32.138 1.00 24.29 C +ATOM 3039 N ASP B 210 37.623 46.645 30.031 1.00 23.37 N +ATOM 3040 CA ASP B 210 36.317 47.157 29.618 1.00 23.57 C +ATOM 3041 C ASP B 210 36.066 47.038 28.125 1.00 22.86 C +ATOM 3042 O ASP B 210 35.062 47.517 27.583 1.00 21.93 O +ATOM 3043 CB ASP B 210 36.071 48.556 30.133 1.00 26.39 C +ATOM 3044 CG ASP B 210 36.946 49.632 29.570 1.00 32.67 C +ATOM 3045 OD1 ASP B 210 36.758 50.815 30.021 1.00 37.24 O +ATOM 3046 OD2 ASP B 210 37.831 49.388 28.731 1.00 30.54 O +ATOM 3047 N ASN B 211 36.965 46.338 27.429 1.00 20.62 N +ATOM 3048 CA ASN B 211 36.760 46.038 25.980 1.00 19.54 C +ATOM 3049 C ASN B 211 35.902 44.770 25.942 1.00 23.51 C +ATOM 3050 O ASN B 211 36.270 43.693 25.472 1.00 24.02 O +ATOM 3051 CB ASN B 211 38.161 45.759 25.390 1.00 20.91 C +ATOM 3052 CG ASN B 211 38.143 45.371 23.926 1.00 22.66 C +ATOM 3053 OD1 ASN B 211 37.162 45.565 23.230 1.00 22.16 O +ATOM 3054 ND2 ASN B 211 39.278 44.819 23.447 1.00 19.21 N +ATOM 3055 N ILE B 212 34.631 44.939 26.409 1.00 22.40 N +ATOM 3056 CA ILE B 212 33.736 43.813 26.503 1.00 23.52 C +ATOM 3057 C ILE B 212 33.010 43.415 25.242 1.00 23.36 C +ATOM 3058 O ILE B 212 32.800 44.212 24.334 1.00 23.20 O +ATOM 3059 CB ILE B 212 32.651 44.080 27.591 1.00 27.53 C +ATOM 3060 CG1 ILE B 212 31.804 45.278 27.191 1.00 29.25 C +ATOM 3061 CG2 ILE B 212 33.369 44.279 28.919 1.00 29.89 C +ATOM 3062 CD1 ILE B 212 30.593 45.580 28.025 1.00 36.08 C +ATOM 3063 N LYS B 213 32.531 42.176 25.248 1.00 22.10 N +ATOM 3064 CA LYS B 213 31.728 41.690 24.123 1.00 24.36 C +ATOM 3065 C LYS B 213 30.234 41.759 24.496 1.00 28.24 C +ATOM 3066 O LYS B 213 29.864 41.182 25.526 1.00 29.96 O +ATOM 3067 CB LYS B 213 32.117 40.257 23.783 1.00 26.38 C +ATOM 3068 CG LYS B 213 31.465 39.730 22.502 1.00 27.58 C +ATOM 3069 CD LYS B 213 32.005 38.309 22.187 1.00 32.50 C +ATOM 3070 CE LYS B 213 31.235 37.787 20.964 1.00 35.80 C +ATOM 3071 NZ LYS B 213 31.567 36.352 20.701 1.00 45.63 N +ATOM 3072 N VAL B 214 29.420 42.342 23.648 1.00 29.26 N +ATOM 3073 CA VAL B 214 27.968 42.435 23.899 1.00 29.19 C +ATOM 3074 C VAL B 214 27.290 41.157 23.390 1.00 31.42 C +ATOM 3075 O VAL B 214 27.219 40.916 22.176 1.00 30.25 O +ATOM 3076 CB VAL B 214 27.386 43.672 23.235 1.00 28.04 C +ATOM 3077 CG1 VAL B 214 25.859 43.767 23.488 1.00 29.05 C +ATOM 3078 CG2 VAL B 214 28.050 44.936 23.763 1.00 23.27 C +ATOM 3079 N THR B 215 26.901 40.280 24.331 1.00 32.33 N +ATOM 3080 CA THR B 215 26.269 39.022 23.938 1.00 35.39 C +ATOM 3081 C THR B 215 24.881 38.827 24.541 1.00 38.57 C +ATOM 3082 O THR B 215 24.099 38.017 23.997 1.00 40.30 O +ATOM 3083 CB THR B 215 27.130 37.800 24.255 1.00 37.50 C +ATOM 3084 OG1 THR B 215 27.429 37.682 25.630 1.00 38.54 O +ATOM 3085 CG2 THR B 215 28.458 37.843 23.493 1.00 41.22 C +ATOM 3086 N ARG B 216 24.560 39.507 25.600 1.00 37.64 N +ATOM 3087 CA ARG B 216 23.263 39.406 26.274 1.00 42.98 C +ATOM 3088 C ARG B 216 22.670 40.798 26.396 1.00 42.38 C +ATOM 3089 O ARG B 216 23.393 41.801 26.349 1.00 41.74 O +ATOM 3090 CB ARG B 216 23.385 38.697 27.617 1.00 41.30 C +ATOM 3091 CG ARG B 216 23.344 37.176 27.519 1.00 47.09 C +ATOM 3092 CD ARG B 216 21.927 36.682 27.224 1.00 49.60 C +ATOM 3093 N PRO B 217 21.367 40.894 26.620 1.00 44.29 N +ATOM 3094 CA PRO B 217 20.684 42.167 26.717 1.00 43.60 C +ATOM 3095 C PRO B 217 21.210 43.110 27.749 1.00 42.40 C +ATOM 3096 O PRO B 217 21.248 44.339 27.522 1.00 43.26 O +ATOM 3097 CB PRO B 217 19.222 41.811 26.891 1.00 44.08 C +ATOM 3098 CG PRO B 217 19.178 40.385 27.281 1.00 46.34 C +ATOM 3099 CD PRO B 217 20.431 39.747 26.737 1.00 45.51 C +ATOM 3100 N GLU B 218 21.745 42.634 28.876 1.00 42.73 N +ATOM 3101 CA GLU B 218 22.266 43.545 29.900 1.00 42.42 C +ATOM 3102 C GLU B 218 23.612 44.150 29.540 1.00 41.62 C +ATOM 3103 O GLU B 218 24.040 45.153 30.111 1.00 39.32 O +ATOM 3104 CB GLU B 218 22.414 42.770 31.221 1.00 49.86 C +ATOM 3105 CG GLU B 218 23.252 41.518 31.087 1.00 51.71 C +ATOM 3106 CD GLU B 218 22.472 40.267 30.764 1.00 54.13 C +ATOM 3107 OE1 GLU B 218 22.971 39.163 31.114 1.00 52.69 O +ATOM 3108 OE2 GLU B 218 21.381 40.349 30.156 1.00 53.22 O +ATOM 3109 N ASP B 219 24.325 43.522 28.598 1.00 40.16 N +ATOM 3110 CA ASP B 219 25.640 43.992 28.181 1.00 37.40 C +ATOM 3111 C ASP B 219 25.575 45.323 27.474 1.00 36.87 C +ATOM 3112 O ASP B 219 26.552 46.082 27.430 1.00 38.94 O +ATOM 3113 CB ASP B 219 26.308 42.945 27.270 1.00 37.04 C +ATOM 3114 CG ASP B 219 26.636 41.644 27.936 1.00 36.99 C +ATOM 3115 OD1 ASP B 219 26.759 41.566 29.172 1.00 41.41 O +ATOM 3116 OD2 ASP B 219 26.775 40.611 27.235 1.00 39.22 O +ATOM 3117 N LEU B 220 24.435 45.646 26.878 1.00 33.85 N +ATOM 3118 CA LEU B 220 24.201 46.856 26.161 1.00 35.44 C +ATOM 3119 C LEU B 220 24.307 48.095 27.030 1.00 36.94 C +ATOM 3120 O LEU B 220 24.935 49.088 26.676 1.00 36.09 O +ATOM 3121 CB LEU B 220 22.825 46.831 25.468 1.00 37.78 C +ATOM 3122 CG LEU B 220 22.649 47.937 24.413 1.00 42.55 C +ATOM 3123 CD1 LEU B 220 23.464 47.607 23.173 1.00 42.92 C +ATOM 3124 CD2 LEU B 220 21.177 48.127 24.061 1.00 45.25 C +ATOM 3125 N ALA B 221 23.678 48.047 28.224 1.00 37.10 N +ATOM 3126 CA ALA B 221 23.785 49.239 29.096 1.00 36.17 C +ATOM 3127 C ALA B 221 25.206 49.409 29.602 1.00 33.64 C +ATOM 3128 O ALA B 221 25.688 50.547 29.717 1.00 33.97 O +ATOM 3129 CB ALA B 221 22.781 49.165 30.222 1.00 36.66 C +ATOM 3130 N LEU B 222 25.888 48.310 29.893 1.00 33.19 N +ATOM 3131 CA LEU B 222 27.268 48.328 30.369 1.00 32.43 C +ATOM 3132 C LEU B 222 28.194 48.923 29.296 1.00 31.78 C +ATOM 3133 O LEU B 222 29.105 49.680 29.577 1.00 30.45 O +ATOM 3134 CB LEU B 222 27.740 46.918 30.657 1.00 37.53 C +ATOM 3135 CG LEU B 222 28.752 46.608 31.718 1.00 41.87 C +ATOM 3136 CD1 LEU B 222 29.547 45.346 31.370 1.00 40.15 C +ATOM 3137 CD2 LEU B 222 29.673 47.743 32.092 1.00 42.42 C +ATOM 3138 N ALA B 223 27.985 48.451 28.055 1.00 30.60 N +ATOM 3139 CA ALA B 223 28.781 49.006 26.939 1.00 29.03 C +ATOM 3140 C ALA B 223 28.538 50.496 26.811 1.00 28.27 C +ATOM 3141 O ALA B 223 29.454 51.311 26.608 1.00 30.46 O +ATOM 3142 CB ALA B 223 28.408 48.256 25.669 1.00 25.90 C +ATOM 3143 N GLU B 224 27.286 50.931 26.949 1.00 31.52 N +ATOM 3144 CA GLU B 224 26.979 52.369 26.862 1.00 31.56 C +ATOM 3145 C GLU B 224 27.717 53.147 27.931 1.00 29.88 C +ATOM 3146 O GLU B 224 28.335 54.197 27.708 1.00 31.87 O +ATOM 3147 CB GLU B 224 25.466 52.565 26.996 1.00 37.59 C +ATOM 3148 CG GLU B 224 25.063 54.034 27.081 1.00 44.16 C +ATOM 3149 CD GLU B 224 23.570 54.227 26.910 1.00 47.33 C +ATOM 3150 OE1 GLU B 224 22.784 53.552 27.611 1.00 50.27 O +ATOM 3151 OE2 GLU B 224 23.177 55.063 26.075 1.00 51.35 O +ATOM 3152 N PHE B 225 27.666 52.638 29.170 1.00 30.09 N +ATOM 3153 CA PHE B 225 28.365 53.271 30.272 1.00 28.56 C +ATOM 3154 C PHE B 225 29.837 53.456 29.946 1.00 30.69 C +ATOM 3155 O PHE B 225 30.411 54.533 30.097 1.00 30.12 O +ATOM 3156 CB PHE B 225 28.229 52.376 31.530 1.00 32.18 C +ATOM 3157 CG PHE B 225 29.101 52.873 32.653 1.00 33.99 C +ATOM 3158 CD1 PHE B 225 30.303 52.269 32.930 1.00 35.20 C +ATOM 3159 CD2 PHE B 225 28.714 53.989 33.393 1.00 34.92 C +ATOM 3160 CE1 PHE B 225 31.123 52.733 33.953 1.00 35.63 C +ATOM 3161 CE2 PHE B 225 29.529 54.453 34.415 1.00 37.07 C +ATOM 3162 CZ PHE B 225 30.729 53.833 34.694 1.00 36.18 C +ATOM 3163 N TYR B 226 30.474 52.384 29.436 1.00 28.96 N +ATOM 3164 CA TYR B 226 31.882 52.455 29.097 1.00 31.03 C +ATOM 3165 C TYR B 226 32.136 53.438 27.968 1.00 31.82 C +ATOM 3166 O TYR B 226 33.145 54.149 27.985 1.00 33.80 O +ATOM 3167 CB TYR B 226 32.419 51.070 28.686 1.00 33.05 C +ATOM 3168 CG TYR B 226 32.639 50.091 29.814 1.00 32.81 C +ATOM 3169 CD1 TYR B 226 32.472 48.728 29.613 1.00 32.54 C +ATOM 3170 CD2 TYR B 226 33.059 50.524 31.071 1.00 35.25 C +ATOM 3171 CE1 TYR B 226 32.671 47.817 30.635 1.00 33.32 C +ATOM 3172 CE2 TYR B 226 33.250 49.620 32.112 1.00 37.05 C +ATOM 3173 CZ TYR B 226 33.068 48.278 31.880 1.00 35.34 C +ATOM 3174 OH TYR B 226 33.280 47.365 32.889 1.00 34.35 O +ATOM 3175 N LEU B 227 31.236 53.491 26.990 1.00 33.27 N +ATOM 3176 CA LEU B 227 31.445 54.366 25.833 1.00 38.92 C +ATOM 3177 C LEU B 227 31.425 55.825 26.225 1.00 42.86 C +ATOM 3178 O LEU B 227 32.315 56.605 25.858 1.00 43.34 O +ATOM 3179 CB LEU B 227 30.466 54.042 24.708 1.00 36.13 C +ATOM 3180 CG LEU B 227 30.936 52.959 23.725 1.00 37.39 C +ATOM 3181 CD1 LEU B 227 30.006 52.878 22.523 1.00 37.56 C +ATOM 3182 CD2 LEU B 227 32.365 53.243 23.254 1.00 37.00 C +ATOM 3183 N THR B 228 30.460 56.175 27.076 1.00 43.63 N +ATOM 3184 CA THR B 228 30.386 57.552 27.601 1.00 49.66 C +ATOM 3185 C THR B 228 31.677 57.823 28.380 1.00 52.25 C +ATOM 3186 O THR B 228 32.184 58.940 28.408 1.00 53.68 O +ATOM 3187 CB THR B 228 29.139 57.696 28.470 1.00 50.53 C +ATOM 3188 OG1 THR B 228 28.001 57.344 27.644 1.00 53.11 O +ATOM 3189 CG2 THR B 228 28.980 59.105 28.997 1.00 50.51 C +ATOM 3190 N ARG B 229 32.266 56.762 28.885 1.00 54.68 N +ATOM 3191 CA ARG B 229 33.492 56.608 29.584 1.00 56.72 C +ATOM 3192 C ARG B 229 33.404 56.995 31.048 1.00 57.71 C +ATOM 3193 O ARG B 229 32.426 56.609 31.727 1.00 60.59 O +ATOM 3194 CB ARG B 229 34.675 57.249 28.868 1.00 53.75 C +ATOM 3195 CG ARG B 229 34.973 56.768 27.472 1.00 56.74 C +ATOM 3196 CD ARG B 229 35.798 55.503 27.403 1.00 55.81 C +TER 3197 ARG B 229 +HETATM 3198 O HOH A 237 33.923 36.238 30.793 1.00 24.25 O +HETATM 3199 O HOH A 238 26.379 30.591 68.091 1.00 24.07 O +HETATM 3200 O HOH A 239 39.282 22.933 44.114 1.00 26.95 O +HETATM 3201 O HOH A 240 28.500 43.599 44.238 1.00 25.77 O +HETATM 3202 O HOH A 241 25.473 41.279 68.942 1.00 22.02 O +HETATM 3203 O HOH A 242 25.033 37.922 41.220 1.00 24.80 O +HETATM 3204 O HOH A 243 36.037 19.689 61.785 1.00 27.56 O +HETATM 3205 O HOH A 244 44.175 16.957 54.884 1.00 29.46 O +HETATM 3206 O HOH A 245 38.173 29.013 25.928 1.00 28.22 O +HETATM 3207 O HOH A 246 24.360 42.064 41.294 1.00 31.37 O +HETATM 3208 O HOH A 247 25.162 36.062 34.676 1.00 32.82 O +HETATM 3209 O HOH A 248 35.590 40.472 27.608 1.00 26.19 O +HETATM 3210 O HOH A 249 28.934 17.489 47.676 1.00 28.13 O +HETATM 3211 O HOH A 250 33.108 28.707 64.587 1.00 26.02 O +HETATM 3212 O HOH A 251 31.048 40.449 38.414 1.00 30.90 O +HETATM 3213 O HOH A 252 41.921 17.873 49.959 1.00 25.73 O +HETATM 3214 O HOH A 253 17.804 28.284 60.805 1.00 28.97 O +HETATM 3215 O HOH A 254 22.617 40.457 65.048 1.00 26.41 O +HETATM 3216 O HOH A 255 38.637 19.144 62.472 1.00 31.87 O +HETATM 3217 O HOH A 256 35.022 31.392 71.077 1.00 33.78 O +HETATM 3218 O HOH A 257 38.439 39.686 56.989 1.00 43.86 O +HETATM 3219 O HOH A 258 40.495 23.777 47.893 1.00 28.21 O +HETATM 3220 O HOH A 259 30.094 43.924 35.578 1.00 40.57 O +HETATM 3221 O HOH A 260 18.991 40.996 65.982 1.00 29.61 O +HETATM 3222 O HOH A 261 29.095 26.845 63.800 1.00 30.45 O +HETATM 3223 O HOH A 262 25.690 20.297 44.674 1.00 33.18 O +HETATM 3224 O HOH A 263 22.873 39.948 42.064 1.00 27.81 O +HETATM 3225 O HOH A 264 22.848 46.107 46.067 1.00 29.20 O +HETATM 3226 O HOH A 265 29.479 36.658 32.801 1.00 36.39 O +HETATM 3227 O HOH A 266 36.737 43.979 66.624 1.00 35.16 O +HETATM 3228 O HOH A 267 16.379 41.286 57.431 1.00 30.78 O +HETATM 3229 O HOH A 268 25.277 20.224 57.651 1.00 28.68 O +HETATM 3230 O HOH A 269 29.731 18.331 58.913 1.00 33.99 O +HETATM 3231 O HOH A 270 35.009 20.860 64.139 1.00 34.49 O +HETATM 3232 O HOH A 271 35.390 33.917 71.278 1.00 30.74 O +HETATM 3233 O HOH A 272 34.953 36.921 46.285 1.00 47.25 O +HETATM 3234 O HOH A 273 24.418 19.102 55.166 1.00 30.98 O +HETATM 3235 O HOH A 274 34.781 40.683 52.850 1.00 30.36 O +HETATM 3236 O HOH A 275 31.958 37.947 37.478 1.00 32.07 O +HETATM 3237 O HOH A 276 30.879 29.218 30.311 1.00 38.68 O +HETATM 3238 O HOH A 277 30.719 27.846 65.801 1.00 33.84 O +HETATM 3239 O HOH A 278 46.031 25.343 31.680 1.00 31.63 O +HETATM 3240 O HOH A 279 28.209 24.644 34.019 1.00 29.37 O +HETATM 3241 O HOH A 280 34.556 41.977 40.395 1.00 36.71 O +HETATM 3242 O HOH A 281 22.588 50.103 48.476 1.00 50.81 O +HETATM 3243 O HOH A 282 13.831 30.976 50.553 1.00 35.10 O +HETATM 3244 O HOH A 283 51.340 30.418 33.182 1.00 35.83 O +HETATM 3245 O HOH A 284 41.087 21.290 47.090 1.00 33.17 O +HETATM 3246 O HOH A 285 19.222 44.390 46.768 1.00 41.43 O +HETATM 3247 O HOH A 286 26.891 37.021 32.642 1.00 33.88 O +HETATM 3248 O HOH A 287 22.547 47.414 48.540 1.00 44.39 O +HETATM 3249 O HOH A 288 36.826 27.271 24.574 1.00 40.41 O +HETATM 3250 O HOH A 289 28.628 24.084 64.191 1.00 40.20 O +HETATM 3251 O HOH A 290 34.968 17.273 62.018 1.00 35.89 O +HETATM 3252 O HOH A 291 17.261 39.909 64.124 1.00 30.02 O +HETATM 3253 O HOH A 292 35.197 42.189 50.247 1.00 37.47 O +HETATM 3254 O HOH A 293 12.822 34.254 48.629 1.00 37.99 O +HETATM 3255 O HOH A 294 36.956 13.763 51.517 1.00 28.05 O +HETATM 3256 O HOH A 295 29.137 56.381 37.863 1.00 36.24 O +HETATM 3257 O HOH A 296 21.745 28.885 37.651 1.00 39.21 O +HETATM 3258 O HOH A 297 14.306 39.814 58.280 1.00 47.47 O +HETATM 3259 O HOH A 298 36.893 34.673 68.015 1.00 34.52 O +HETATM 3260 O HOH A 299 29.982 27.999 32.279 1.00 40.49 O +HETATM 3261 O HOH A 300 37.528 37.817 70.114 1.00 42.54 O +HETATM 3262 O HOH A 301 38.570 54.296 52.519 1.00 39.93 O +HETATM 3263 O HOH A 302 26.070 43.741 33.268 1.00 39.38 O +HETATM 3264 O HOH A 303 22.705 54.935 39.478 1.00 52.96 O +HETATM 3265 O HOH A 304 20.846 52.612 38.442 1.00 63.47 O +HETATM 3266 O HOH A 305 14.491 34.954 42.428 1.00 48.64 O +HETATM 3267 O HOH A 306 44.559 29.859 53.191 1.00 47.40 O +HETATM 3268 O HOH A 307 23.730 48.152 69.433 1.00 44.15 O +HETATM 3269 O HOH A 308 14.163 31.954 48.045 1.00 32.61 O +HETATM 3270 O HOH A 309 41.538 28.088 46.986 1.00 34.42 O +HETATM 3271 O HOH A 310 36.706 25.697 64.769 1.00 36.22 O +HETATM 3272 O HOH A 311 53.166 32.368 34.061 1.00 51.13 O +HETATM 3273 O HOH A 312 23.839 52.491 56.783 1.00 55.43 O +HETATM 3274 O HOH A 313 29.804 30.090 70.057 1.00 32.81 O +HETATM 3275 O HOH A 314 17.114 35.757 39.565 1.00 43.08 O +HETATM 3276 O HOH A 315 31.483 34.449 50.425 1.00 34.86 O +HETATM 3277 O HOH A 316 16.741 37.482 65.137 1.00 38.73 O +HETATM 3278 O HOH A 317 19.853 21.931 44.903 1.00 39.51 O +HETATM 3279 O HOH A 318 26.868 18.413 58.715 1.00 34.88 O +HETATM 3280 O HOH A 319 12.505 36.455 43.611 1.00 46.75 O +HETATM 3281 O HOH A 320 22.153 29.278 34.825 1.00 43.66 O +HETATM 3282 O HOH A 321 35.251 46.261 67.652 1.00 39.02 O +HETATM 3283 O HOH A 322 36.837 38.084 43.567 1.00 43.81 O +HETATM 3284 O HOH A 323 34.046 21.497 45.048 1.00 35.29 O +HETATM 3285 O HOH A 324 40.057 34.314 65.024 1.00 57.18 O +HETATM 3286 O HOH A 325 17.101 43.986 43.812 1.00 39.39 O +HETATM 3287 O HOH A 326 33.322 39.654 40.809 1.00 41.38 O +HETATM 3288 O HOH B 237 34.529 46.233 23.434 1.00 20.41 O +HETATM 3289 O HOH B 238 41.411 45.348 25.449 1.00 22.58 O +HETATM 3290 O HOH B 239 35.315 52.345 21.269 1.00 26.07 O +HETATM 3291 O HOH B 240 41.348 33.493 2.026 1.00 25.61 O +HETATM 3292 O HOH B 241 37.316 35.697 23.652 1.00 24.41 O +HETATM 3293 O HOH B 242 38.171 49.147 26.014 1.00 24.88 O +HETATM 3294 O HOH B 243 35.863 37.011 21.550 1.00 27.27 O +HETATM 3295 O HOH B 244 32.909 40.536 27.660 1.00 28.48 O +HETATM 3296 O HOH B 245 40.609 31.191 40.399 1.00 25.35 O +HETATM 3297 O HOH B 246 33.617 36.082 -0.478 1.00 23.02 O +HETATM 3298 O HOH B 247 26.181 40.453 -0.197 1.00 30.26 O +HETATM 3299 O HOH B 248 45.351 25.806 22.372 1.00 27.59 O +HETATM 3300 O HOH B 249 23.389 44.186 3.300 1.00 30.06 O +HETATM 3301 O HOH B 250 50.837 51.671 16.905 1.00 28.30 O +HETATM 3302 O HOH B 251 32.459 39.023 15.132 1.00 25.06 O +HETATM 3303 O HOH B 252 39.285 39.643 36.077 1.00 27.57 O +HETATM 3304 O HOH B 253 38.111 37.385 35.203 1.00 26.07 O +HETATM 3305 O HOH B 254 33.764 37.152 39.702 1.00 31.51 O +HETATM 3306 O HOH B 255 31.139 39.769 17.796 1.00 29.06 O +HETATM 3307 O HOH B 256 47.116 25.752 4.671 1.00 33.47 O +HETATM 3308 O HOH B 257 52.255 50.792 14.673 1.00 31.96 O +HETATM 3309 O HOH B 258 23.183 53.436 12.561 1.00 28.62 O +HETATM 3310 O HOH B 259 40.330 48.492 24.517 1.00 26.78 O +HETATM 3311 O HOH B 260 45.219 36.068 2.360 1.00 30.00 O +HETATM 3312 O HOH B 261 29.314 43.712 -1.143 1.00 33.03 O +HETATM 3313 O HOH B 262 41.295 46.163 -0.937 1.00 33.35 O +HETATM 3314 O HOH B 263 32.218 54.965 19.225 1.00 32.28 O +HETATM 3315 O HOH B 264 50.721 35.700 32.499 1.00 30.93 O +HETATM 3316 O HOH B 265 45.022 58.013 23.473 1.00 39.30 O +HETATM 3317 O HOH B 266 25.074 38.672 8.442 1.00 31.90 O +HETATM 3318 O HOH B 267 51.699 37.949 5.112 1.00 31.51 O +HETATM 3319 O HOH B 268 34.842 50.648 -0.492 1.00 34.84 O +HETATM 3320 O HOH B 269 41.243 28.704 2.399 1.00 31.49 O +HETATM 3321 O HOH B 270 39.820 52.762 19.102 1.00 31.69 O +HETATM 3322 O HOH B 271 34.141 53.467 18.686 1.00 29.74 O +HETATM 3323 O HOH B 272 45.052 50.895 27.449 1.00 36.57 O +HETATM 3324 O HOH B 273 26.680 39.432 19.884 1.00 35.87 O +HETATM 3325 O HOH B 274 60.604 37.988 16.373 1.00 37.78 O +HETATM 3326 O HOH B 275 35.874 35.882 42.313 1.00 33.58 O +HETATM 3327 O HOH B 276 28.490 22.043 33.744 1.00 36.95 O +HETATM 3328 O HOH B 277 40.378 30.926 1.449 1.00 28.17 O +HETATM 3329 O HOH B 278 41.049 24.095 33.582 1.00 38.12 O +HETATM 3330 O HOH B 279 22.340 44.053 0.823 1.00 47.46 O +HETATM 3331 O HOH B 280 35.403 29.028 13.022 1.00 32.88 O +HETATM 3332 O HOH B 281 26.763 43.416 -0.099 1.00 30.61 O +HETATM 3333 O HOH B 282 38.312 55.113 19.141 1.00 33.66 O +HETATM 3334 O HOH B 283 37.167 41.713 29.705 1.00 41.16 O +HETATM 3335 O HOH B 284 43.358 34.759 0.498 1.00 36.72 O +HETATM 3336 O HOH B 285 43.897 24.433 37.614 1.00 35.27 O +HETATM 3337 O HOH B 286 35.761 55.405 17.705 1.00 39.18 O +HETATM 3338 O HOH B 287 32.607 21.347 33.127 1.00 34.57 O +HETATM 3339 O HOH B 288 43.733 24.814 18.872 1.00 41.29 O +HETATM 3340 O HOH B 289 38.515 32.504 12.726 1.00 39.00 O +HETATM 3341 O HOH B 290 51.526 46.178 8.436 1.00 38.78 O +HETATM 3342 O HOH B 291 44.699 30.667 41.530 1.00 34.81 O +HETATM 3343 O HOH B 292 19.857 49.290 16.276 1.00 37.83 O +HETATM 3344 O HOH B 293 45.718 22.996 4.407 1.00 45.58 O +HETATM 3345 O HOH B 294 52.112 53.734 13.645 1.00 39.80 O +HETATM 3346 O HOH B 295 40.845 25.462 45.793 1.00 33.79 O +HETATM 3347 O HOH B 296 43.185 41.259 -1.617 1.00 31.46 O +HETATM 3348 O HOH B 297 47.114 36.565 34.325 1.00 32.36 O +HETATM 3349 O HOH B 298 32.134 55.825 16.782 1.00 38.65 O +HETATM 3350 O HOH B 299 42.765 27.217 0.438 1.00 43.06 O +HETATM 3351 O HOH B 300 21.942 54.317 23.709 1.00 41.29 O +HETATM 3352 O HOH B 301 36.405 28.625 3.732 1.00 40.75 O +HETATM 3353 O HOH B 302 30.118 38.401 26.309 1.00 44.13 O +HETATM 3354 O HOH B 303 37.556 40.935 37.884 1.00 46.77 O +HETATM 3355 O HOH B 304 32.997 25.391 8.167 1.00 43.70 O +HETATM 3356 O HOH B 305 37.902 40.417 32.020 1.00 38.28 O +HETATM 3357 O HOH B 306 39.219 38.124 16.466 1.00 36.03 O +HETATM 3358 O HOH B 307 44.208 46.768 2.568 1.00 35.33 O +HETATM 3359 O HOH B 308 20.533 32.439 9.428 1.00 44.73 O +HETATM 3360 O HOH B 309 33.708 35.565 22.872 1.00 36.93 O +HETATM 3361 O HOH B 310 31.326 51.455 1.300 1.00 39.43 O +HETATM 3362 O HOH B 311 37.682 30.639 14.261 1.00 37.07 O +HETATM 3363 O HOH B 312 42.090 33.450 44.231 1.00 50.63 O +HETATM 3364 O HOH B 313 42.690 30.709 -0.269 1.00 39.01 O +HETATM 3365 O HOH B 314 35.394 24.914 15.030 1.00 48.40 O +HETATM 3366 O HOH B 315 39.042 48.676 31.938 1.00 41.14 O +HETATM 3367 O HOH B 316 41.637 46.808 32.703 1.00 39.00 O +HETATM 3368 O HOH B 317 49.060 35.618 36.712 1.00 41.70 O +HETATM 3369 O HOH B 318 35.614 31.511 3.062 1.00 44.75 O +HETATM 3370 O HOH B 319 34.914 44.034 32.204 1.00 48.83 O +HETATM 3371 O HOH B 320 47.621 34.822 2.186 1.00 38.03 O +HETATM 3372 O HOH B 321 34.566 33.770 -1.071 1.00 40.64 O +HETATM 3373 O HOH B 322 52.562 52.979 18.766 1.00 35.96 O +HETATM 3374 O HOH B 323 22.575 33.938 17.631 1.00 42.37 O +HETATM 3375 O HOH B 324 44.132 44.679 31.910 1.00 40.02 O +HETATM 3376 O HOH B 325 31.078 35.229 11.140 1.00 52.56 O +HETATM 3377 O HOH B 326 21.889 42.558 16.440 1.00 41.89 O +HETATM 3378 O HOH B 327 41.141 31.228 43.206 1.00 35.57 O +HETATM 3379 O HOH B 328 49.331 31.494 1.630 1.00 47.68 O +HETATM 3380 O HOH B 329 45.814 36.170 36.640 1.00 38.34 O +HETATM 3381 O HOH B 330 45.544 33.228 -0.455 1.00 43.72 O +HETATM 3382 O HOH B 331 38.372 57.960 7.537 1.00 43.22 O +HETATM 3383 O HOH B 332 23.153 32.563 4.779 1.00 43.98 O +HETATM 3384 O HOH B 333 32.333 32.839 0.713 1.00 59.90 O +HETATM 3385 O HOH B 334 35.068 34.320 45.549 1.00 56.79 O +HETATM 3386 O HOH B 335 34.614 26.071 18.842 1.00 49.05 O +HETATM 3387 O HOH B 336 28.636 54.984 10.986 1.00 43.01 O +HETATM 3388 O HOH B 337 33.306 57.966 9.362 1.00 51.74 O +HETATM 3389 O HOH B 338 48.081 35.769 39.183 1.00 51.14 O +HETATM 3390 O HOH B 339 38.602 27.058 3.080 1.00 43.78 O +HETATM 3391 O HOH B 340 52.941 46.039 22.263 1.00 45.31 O +HETATM 3392 O HOH B 341 48.933 53.300 23.037 1.00 42.68 O +HETATM 3393 O HOH B 342 28.207 37.727 13.908 1.00 47.80 O +HETATM 3394 O HOH B 343 35.118 39.882 36.672 1.00 39.24 O +CONECT 1212 1368 +CONECT 1368 1212 +CONECT 2798 2953 +CONECT 2953 2798 +MASTER 322 0 0 18 30 0 0 6 3373 2 4 38 +END diff --git a/inputs/inputs/1VGX.pdb b/inputs/inputs/1VGX.pdb new file mode 100644 index 00000000000..6f14f33148e --- /dev/null +++ b/inputs/inputs/1VGX.pdb @@ -0,0 +1,3870 @@ +HEADER TRANSFERASE 03-NOV-03 1VGT +TITLE CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL +TITLE 2 SYNTHASE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE; +COMPND 3 CHAIN: A, B; +COMPND 4 SYNONYM: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE, MEP +COMPND 5 CYTIDYLYLTRANSFERASE, MCT, CDP-ME SYNTHETASE; +COMPND 6 EC: 2.7.7.60; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; +SOURCE 3 ORGANISM_TAXID: 562; +SOURCE 4 GENE: ISPD, B2747; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS STRUCTURAL GENOMICS, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR STRUCTURAL GENOMIX +REVDAT 7 27-DEC-23 1VGT 1 REMARK +REVDAT 6 04-OCT-17 1VGT 1 REMARK +REVDAT 5 13-JUL-11 1VGT 1 VERSN +REVDAT 4 24-FEB-09 1VGT 1 VERSN +REVDAT 3 30-AUG-05 1VGT 1 JRNL +REVDAT 2 30-DEC-03 1VGT 1 JRNL +REVDAT 1 25-NOV-03 1VGT 0 +JRNL AUTH J.BADGER,J.M.SAUDER,J.M.ADAMS,S.ANTONYSAMY,K.BAIN, +JRNL AUTH 2 M.G.BERGSEID,S.G.BUCHANAN,M.D.BUCHANAN,Y.BATIYENKO, +JRNL AUTH 3 J.A.CHRISTOPHER,S.EMTAGE,A.EROSHKINA,I.FEIL,E.B.FURLONG, +JRNL AUTH 4 K.S.GAJIWALA,X.GAO,D.HE,J.HENDLE,A.HUBER,K.HODA,P.KEARINS, +JRNL AUTH 5 C.KISSINGER,B.LAUBERT,H.A.LEWIS,J.LIN,K.LOOMIS,D.LORIMER, +JRNL AUTH 6 G.LOUIE,M.MALETIC,C.D.MARSH,I.MILLER,J.MOLINARI, +JRNL AUTH 7 H.J.MULLER-DIECKMANN,J.M.NEWMAN,B.W.NOLAND,B.PAGARIGAN, +JRNL AUTH 8 F.PARK,T.S.PEAT,K.W.POST,S.RADOJICIC,A.RAMOS,R.ROMERO, +JRNL AUTH 9 M.E.RUTTER,W.E.SANDERSON,K.D.SCHWINN,J.TRESSER,J.WINHOVEN, +JRNL AUTH10 T.A.WRIGHT,L.WU,J.XU,T.J.HARRIS +JRNL TITL STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A +JRNL TITL 2 BACTERIAL GENOMICS PROJECT +JRNL REF PROTEINS V. 60 787 2005 +JRNL REFN ISSN 0887-3585 +JRNL PMID 16021622 +JRNL DOI 10.1002/PROT.20541 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 4.0 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.65 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 40898 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.224 +REMARK 3 FREE R VALUE : 0.253 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2071 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3176 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 197 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.22 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.93100 +REMARK 3 B22 (A**2) : 0.38600 +REMARK 3 B33 (A**2) : -1.31600 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): NULL +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.028 ; NULL +REMARK 3 ANGLE DISTANCE (A) : 2.398 ; NULL +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.013 ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.174 ; NULL +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : NULL ; NULL +REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL +REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 2.878 ; NULL +REMARK 3 STAGGERED (DEGREES) : NULL ; NULL +REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.151 ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.318 ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.402 ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.985 ; NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1VGT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-03. +REMARK 100 THE DEPOSITION ID IS D_1000001852. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 32-ID +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9795, 0.9641, 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE +REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40899 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 22.650 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 +REMARK 200 DATA REDUNDANCY : 6.600 +REMARK 200 R MERGE (I) : 0.05800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 17.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 +REMARK 200 COMPLETENESS FOR SHELL (%) : 96.8 +REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.45500 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 4.600 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SE-MET MAD PHASING +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 42.64 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.19250 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 69.19250 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA,PQS +REMARK 350 TOTAL BURIED SURFACE AREA: 3240 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 18220 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A -1 +REMARK 465 SER A 0 +REMARK 465 LEU A 1 +REMARK 465 ALA A 2 +REMARK 465 THR A 3 +REMARK 465 THR A 4 +REMARK 465 HIS A 5 +REMARK 465 GLY A 16 +REMARK 465 PHE A 17 +REMARK 465 GLY A 18 +REMARK 465 ARG A 19 +REMARK 465 ARG A 20 +REMARK 465 MET A 21 +REMARK 465 GLN A 22 +REMARK 465 THR A 23 +REMARK 465 GLU A 24 +REMARK 465 CYS A 25 +REMARK 465 PRO A 60 +REMARK 465 GLY A 61 +REMARK 465 ASP A 62 +REMARK 465 ARG A 216 +REMARK 465 PRO A 217 +REMARK 465 THR A 228 +REMARK 465 ARG A 229 +REMARK 465 THR A 230 +REMARK 465 ILE A 231 +REMARK 465 HIS A 232 +REMARK 465 GLN A 233 +REMARK 465 GLU A 234 +REMARK 465 ASN A 235 +REMARK 465 THR A 236 +REMARK 465 MET B -1 +REMARK 465 SER B 0 +REMARK 465 LEU B 1 +REMARK 465 ALA B 2 +REMARK 465 THR B 3 +REMARK 465 THR B 4 +REMARK 465 HIS B 5 +REMARK 465 ARG B 19 +REMARK 465 ARG B 20 +REMARK 465 MET B 21 +REMARK 465 GLN B 22 +REMARK 465 THR B 23 +REMARK 465 GLU B 24 +REMARK 465 CYS B 25 +REMARK 465 THR B 230 +REMARK 465 ILE B 231 +REMARK 465 HIS B 232 +REMARK 465 GLN B 233 +REMARK 465 GLU B 234 +REMARK 465 ASN B 235 +REMARK 465 THR B 236 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ASP A 83 CG OD1 OD2 +REMARK 470 LYS A 148 CD CE NZ +REMARK 470 GLU A 172 CD OE1 OE2 +REMARK 470 GLN A 203 CD OE1 NE2 +REMARK 470 GLU A 218 CG CD OE1 OE2 +REMARK 470 LYS B 27 CD CE NZ +REMARK 470 ARG B 64 CG CD NE CZ NH1 NH2 +REMARK 470 GLN B 67 CG CD OE1 NE2 +REMARK 470 ASP B 83 CG OD1 OD2 +REMARK 470 ASP B 98 CG OD1 OD2 +REMARK 470 GLU B 125 CG CD OE1 OE2 +REMARK 470 ARG B 128 CD NE CZ NH1 NH2 +REMARK 470 LYS B 148 CG CD CE NZ +REMARK 470 ARG B 216 NE CZ NH1 NH2 +REMARK 470 ARG B 229 NE CZ NH1 NH2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 LEU A 103 CA - CB - CG ANGL. DEV. = 14.9 DEGREES +REMARK 500 ARG A 171 CD - NE - CZ ANGL. DEV. = 11.2 DEGREES +REMARK 500 CYS A 177 CA - CB - SG ANGL. DEV. = 11.9 DEGREES +REMARK 500 ARG A 180 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES +REMARK 500 TYR A 197 CB - CG - CD1 ANGL. DEV. = -5.5 DEGREES +REMARK 500 ARG B 53 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ARG B 143 CD - NE - CZ ANGL. DEV. = 16.4 DEGREES +REMARK 500 ARG B 143 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASN A 149 57.24 -102.42 +REMARK 500 THR A 189 -77.40 -104.67 +REMARK 500 ALA B 108 32.78 -99.83 +REMARK 500 ASP B 139 -156.66 -109.71 +REMARK 500 ASN B 149 57.26 -97.94 +REMARK 500 LEU B 164 -165.96 -109.88 +REMARK 500 THR B 189 -78.44 -122.77 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1VGT A 2 236 UNP Q46893 ISPD_ECOLI 1 235 +DBREF 1VGT B 2 236 UNP Q46893 ISPD_ECOLI 1 235 +SEQADV 1VGT MET A -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER A 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU A 1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT MET B -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER B 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU B 1 UNP Q46893 CLONING ARTIFACT +SEQRES 1 A 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 A 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 A 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 A 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 A 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 A 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 A 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 A 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 A 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 A 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 A 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 A 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 A 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 A 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 A 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 A 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 A 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 A 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 A 238 GLN GLU ASN THR +SEQRES 1 B 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 B 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 B 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 B 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 B 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 B 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 B 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 B 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 B 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 B 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 B 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 B 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 B 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 B 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 B 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 B 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 B 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 B 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 B 238 GLN GLU ASN THR +FORMUL 3 HOH *197(H2 O) +HELIX 1 1 PRO A 26 TYR A 29 5 4 +HELIX 2 2 ILE A 37 ALA A 47 1 11 +HELIX 3 3 SER A 63 LEU A 68 1 6 +HELIX 4 4 PRO A 69 HIS A 73 5 5 +HELIX 5 5 GLU A 84 ALA A 95 1 12 +HELIX 6 6 HIS A 113 ALA A 122 1 10 +HELIX 7 7 ALA A 122 SER A 127 1 6 +HELIX 8 8 ARG A 171 GLU A 184 1 14 +HELIX 9 9 ASP A 190 GLY A 199 1 10 +HELIX 10 10 GLU A 218 LEU A 227 1 10 +HELIX 11 11 ILE B 37 ALA B 47 1 11 +HELIX 12 12 ARG B 64 HIS B 73 5 10 +HELIX 13 13 GLU B 84 LYS B 94 1 11 +HELIX 14 14 HIS B 113 ALA B 122 1 10 +HELIX 15 15 ALA B 122 SER B 127 1 6 +HELIX 16 16 ARG B 171 GLU B 184 1 14 +HELIX 17 17 ASP B 190 CYS B 198 1 9 +HELIX 18 18 GLU B 218 ARG B 229 1 12 +SHEET 1 A 7 ILE A 76 ASP A 80 0 +SHEET 2 A 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 A 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 A 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 A 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 A 7 GLY A 131 PRO A 136 -1 N ALA A 135 O HIS A 162 +SHEET 7 A 7 GLN A 203 GLU A 206 1 O VAL A 205 N ILE A 132 +SHEET 1 B 7 ILE A 76 ASP A 80 0 +SHEET 2 B 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 B 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 B 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 B 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 B 7 MET B 141 ALA B 144 -1 O LYS B 142 N TRP A 161 +SHEET 7 B 7 ILE B 151 VAL B 155 -1 O HIS B 153 N ARG B 143 +SHEET 1 C 2 SER A 31 ILE A 32 0 +SHEET 2 C 2 GLN A 35 THR A 36 -1 O GLN A 35 N ILE A 32 +SHEET 1 D 7 ILE A 151 VAL A 155 0 +SHEET 2 D 7 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 D 7 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 D 7 TRP B 101 VAL B 104 -1 N VAL B 102 O PHE B 169 +SHEET 5 D 7 VAL B 8 ALA B 14 1 N VAL B 11 O LEU B 103 +SHEET 6 D 7 VAL B 51 ILE B 58 1 O VAL B 55 N ALA B 10 +SHEET 7 D 7 ILE B 76 ASP B 80 1 O THR B 77 N ILE B 56 +SHEET 1 E 5 ILE A 151 VAL A 155 0 +SHEET 2 E 5 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 E 5 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 E 5 GLY B 131 PRO B 136 -1 N ALA B 135 O HIS B 162 +SHEET 5 E 5 GLN B 203 GLU B 206 1 O VAL B 205 N ILE B 132 +SHEET 1 F 2 SER B 31 ILE B 32 0 +SHEET 2 F 2 GLN B 35 THR B 36 -1 O GLN B 35 N ILE B 32 +SSBOND 1 CYS A 177 CYS A 198 1555 1555 2.10 +SSBOND 2 CYS B 177 CYS B 198 1555 1555 2.85 +CISPEP 1 THR A 165 PRO A 166 0 3.49 +CISPEP 2 THR B 165 PRO B 166 0 4.29 +CRYST1 40.866 78.783 138.385 90.00 90.00 90.00 P 21 21 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.024470 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.012693 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.007226 0.00000 +ATOM 1 N LEU A 6 14.062 28.153 58.701 1.00 42.92 N +ATOM 2 CA LEU A 6 14.250 29.073 57.602 1.00 40.74 C +ATOM 3 C LEU A 6 15.174 30.233 57.953 1.00 37.63 C +ATOM 4 O LEU A 6 15.776 30.811 57.034 1.00 37.92 O +ATOM 5 CB LEU A 6 12.946 29.615 57.039 1.00 42.62 C +ATOM 6 CG LEU A 6 12.026 28.747 56.211 1.00 48.58 C +ATOM 7 CD1 LEU A 6 10.760 29.545 55.789 1.00 49.08 C +ATOM 8 CD2 LEU A 6 12.730 28.279 54.921 1.00 48.00 C +ATOM 9 N ASP A 7 15.347 30.597 59.211 1.00 35.36 N +ATOM 10 CA ASP A 7 16.219 31.721 59.539 1.00 33.08 C +ATOM 11 C ASP A 7 17.647 31.508 59.038 1.00 30.64 C +ATOM 12 O ASP A 7 18.235 30.450 59.206 1.00 31.48 O +ATOM 13 CB ASP A 7 16.298 31.960 61.046 1.00 39.91 C +ATOM 14 CG ASP A 7 14.963 32.324 61.666 1.00 45.41 C +ATOM 15 OD1 ASP A 7 14.068 32.779 60.942 1.00 42.12 O +ATOM 16 OD2 ASP A 7 14.865 32.111 62.903 1.00 51.03 O +ATOM 17 N VAL A 8 18.219 32.580 58.515 1.00 29.24 N +ATOM 18 CA VAL A 8 19.582 32.577 58.013 1.00 26.32 C +ATOM 19 C VAL A 8 20.378 33.663 58.744 1.00 26.07 C +ATOM 20 O VAL A 8 19.828 34.721 59.056 1.00 23.30 O +ATOM 21 CB VAL A 8 19.553 32.940 56.507 1.00 27.57 C +ATOM 22 CG1 VAL A 8 20.917 33.197 55.937 1.00 25.06 C +ATOM 23 CG2 VAL A 8 18.849 31.818 55.708 1.00 27.58 C +ATOM 24 N CYS A 9 21.647 33.380 59.038 1.00 22.43 N +ATOM 25 CA CYS A 9 22.489 34.415 59.632 1.00 20.76 C +ATOM 26 C CYS A 9 23.617 34.669 58.572 1.00 22.17 C +ATOM 27 O CYS A 9 24.091 33.678 58.035 1.00 22.96 O +ATOM 28 CB CYS A 9 23.172 33.926 60.913 1.00 23.02 C +ATOM 29 SG CYS A 9 24.164 35.158 61.723 1.00 21.81 S +ATOM 30 N ALA A 10 23.795 35.906 58.197 1.00 20.70 N +ATOM 31 CA ALA A 10 24.857 36.210 57.215 1.00 20.32 C +ATOM 32 C ALA A 10 26.130 36.546 57.982 1.00 21.15 C +ATOM 33 O ALA A 10 26.079 36.968 59.149 1.00 21.25 O +ATOM 34 CB ALA A 10 24.412 37.410 56.383 1.00 21.33 C +ATOM 35 N VAL A 11 27.269 36.364 57.353 1.00 19.68 N +ATOM 36 CA VAL A 11 28.560 36.673 57.937 1.00 20.51 C +ATOM 37 C VAL A 11 29.330 37.507 56.877 1.00 23.30 C +ATOM 38 O VAL A 11 29.366 37.053 55.730 1.00 21.76 O +ATOM 39 CB VAL A 11 29.371 35.442 58.295 1.00 21.79 C +ATOM 40 CG1 VAL A 11 30.808 35.768 58.680 1.00 20.65 C +ATOM 41 CG2 VAL A 11 28.700 34.707 59.476 1.00 21.30 C +ATOM 42 N VAL A 12 29.839 38.650 57.318 1.00 21.83 N +ATOM 43 CA VAL A 12 30.615 39.489 56.374 1.00 23.64 C +ATOM 44 C VAL A 12 32.010 39.602 56.958 1.00 28.72 C +ATOM 45 O VAL A 12 32.194 40.293 57.986 1.00 30.27 O +ATOM 46 CB VAL A 12 30.006 40.872 56.176 1.00 26.69 C +ATOM 47 CG1 VAL A 12 30.849 41.745 55.203 1.00 24.66 C +ATOM 48 CG2 VAL A 12 28.598 40.783 55.611 1.00 24.43 C +ATOM 49 N PRO A 13 32.979 38.927 56.387 1.00 27.83 N +ATOM 50 CA PRO A 13 34.358 39.022 56.922 1.00 31.17 C +ATOM 51 C PRO A 13 34.880 40.386 56.541 1.00 33.27 C +ATOM 52 O PRO A 13 34.938 40.764 55.378 1.00 34.75 O +ATOM 53 CB PRO A 13 35.049 37.840 56.313 1.00 31.04 C +ATOM 54 CG PRO A 13 34.195 37.278 55.269 1.00 27.98 C +ATOM 55 CD PRO A 13 32.901 38.061 55.206 1.00 30.65 C +ATOM 56 N ALA A 14 35.172 41.259 57.521 1.00 36.76 N +ATOM 57 CA ALA A 14 35.593 42.618 57.176 1.00 40.08 C +ATOM 58 C ALA A 14 36.796 43.108 57.946 1.00 42.28 C +ATOM 59 O ALA A 14 36.921 44.309 58.225 1.00 43.55 O +ATOM 60 CB ALA A 14 34.401 43.555 57.347 1.00 37.20 C +ATOM 61 N ALA A 15 37.704 42.194 58.311 1.00 43.70 N +ATOM 62 CA ALA A 15 38.889 42.580 59.077 1.00 45.75 C +ATOM 63 C ALA A 15 40.148 42.616 58.211 1.00 48.62 C +ATOM 64 O ALA A 15 40.094 42.371 56.995 1.00 50.27 O +ATOM 65 CB ALA A 15 39.093 41.598 60.227 1.00 46.95 C +ATOM 66 N PRO A 26 40.471 49.533 53.116 1.00 48.01 N +ATOM 67 CA PRO A 26 39.555 50.648 52.914 1.00 46.95 C +ATOM 68 C PRO A 26 38.569 50.451 51.814 1.00 43.12 C +ATOM 69 O PRO A 26 37.569 51.187 51.731 1.00 41.74 O +ATOM 70 CB PRO A 26 40.541 51.775 52.542 1.00 48.84 C +ATOM 71 CG PRO A 26 41.722 51.509 53.392 1.00 49.92 C +ATOM 72 CD PRO A 26 41.686 50.069 53.821 1.00 50.28 C +ATOM 73 N LYS A 27 38.763 49.451 50.926 1.00 39.80 N +ATOM 74 CA LYS A 27 37.774 49.319 49.847 1.00 37.54 C +ATOM 75 C LYS A 27 36.351 49.369 50.315 1.00 33.88 C +ATOM 76 O LYS A 27 35.518 50.143 49.837 1.00 34.01 O +ATOM 77 CB LYS A 27 38.070 48.092 48.974 1.00 41.12 C +ATOM 78 CG LYS A 27 39.320 48.291 48.103 1.00 47.56 C +ATOM 79 CD LYS A 27 39.255 49.619 47.352 1.00 48.51 C +ATOM 80 CE LYS A 27 40.613 50.048 46.835 1.00 53.82 C +ATOM 81 NZ LYS A 27 41.738 49.528 47.669 1.00 55.97 N +ATOM 82 N GLN A 28 35.998 48.623 51.371 1.00 35.18 N +ATOM 83 CA GLN A 28 34.642 48.612 51.870 1.00 35.98 C +ATOM 84 C GLN A 28 34.276 49.915 52.583 1.00 34.55 C +ATOM 85 O GLN A 28 33.102 50.153 52.823 1.00 33.76 O +ATOM 86 CB GLN A 28 34.424 47.418 52.811 1.00 40.38 C +ATOM 87 CG GLN A 28 35.011 47.637 54.195 1.00 45.79 C +ATOM 88 CD GLN A 28 36.424 47.122 54.295 1.00 51.58 C +ATOM 89 OE1 GLN A 28 37.246 47.369 53.402 1.00 58.72 O +ATOM 90 NE2 GLN A 28 36.702 46.379 55.362 1.00 53.77 N +ATOM 91 N TYR A 29 35.263 50.777 52.811 1.00 35.63 N +ATOM 92 CA TYR A 29 34.984 52.065 53.459 1.00 37.51 C +ATOM 93 C TYR A 29 34.909 53.196 52.470 1.00 39.63 C +ATOM 94 O TYR A 29 34.765 54.369 52.817 1.00 40.92 O +ATOM 95 CB TYR A 29 35.959 52.302 54.607 1.00 37.98 C +ATOM 96 CG TYR A 29 35.770 51.337 55.768 1.00 37.37 C +ATOM 97 CD1 TYR A 29 36.864 50.803 56.425 1.00 36.72 C +ATOM 98 CD2 TYR A 29 34.502 50.976 56.184 1.00 36.22 C +ATOM 99 CE1 TYR A 29 36.682 49.896 57.477 1.00 40.68 C +ATOM 100 CE2 TYR A 29 34.312 50.086 57.224 1.00 38.28 C +ATOM 101 CZ TYR A 29 35.407 49.562 57.869 1.00 38.96 C +ATOM 102 OH TYR A 29 35.199 48.694 58.908 1.00 44.10 O +ATOM 103 N LEU A 30 34.967 52.869 51.164 1.00 40.51 N +ATOM 104 CA LEU A 30 34.800 53.887 50.120 1.00 39.07 C +ATOM 105 C LEU A 30 33.295 54.172 50.068 1.00 40.41 C +ATOM 106 O LEU A 30 32.534 53.320 50.529 1.00 39.58 O +ATOM 107 CB LEU A 30 35.317 53.436 48.783 1.00 37.56 C +ATOM 108 CG LEU A 30 36.830 53.203 48.658 1.00 40.11 C +ATOM 109 CD1 LEU A 30 37.145 52.571 47.307 1.00 38.72 C +ATOM 110 CD2 LEU A 30 37.567 54.534 48.822 1.00 43.54 C +ATOM 111 N SER A 31 32.866 55.299 49.527 1.00 40.29 N +ATOM 112 CA SER A 31 31.454 55.620 49.540 1.00 40.19 C +ATOM 113 C SER A 31 30.831 55.869 48.185 1.00 41.90 C +ATOM 114 O SER A 31 31.418 56.398 47.258 1.00 42.47 O +ATOM 115 CB SER A 31 31.213 56.889 50.396 1.00 43.79 C +ATOM 116 OG SER A 31 31.289 56.599 51.775 1.00 47.84 O +ATOM 117 N ILE A 32 29.554 55.529 48.114 1.00 41.34 N +ATOM 118 CA ILE A 32 28.716 55.715 46.969 1.00 43.56 C +ATOM 119 C ILE A 32 27.380 56.275 47.488 1.00 44.17 C +ATOM 120 O ILE A 32 26.647 55.593 48.191 1.00 42.60 O +ATOM 121 CB ILE A 32 28.473 54.448 46.142 1.00 43.22 C +ATOM 122 CG1 ILE A 32 29.761 53.964 45.477 1.00 44.56 C +ATOM 123 CG2 ILE A 32 27.400 54.719 45.092 1.00 45.58 C +ATOM 124 CD1 ILE A 32 29.630 52.661 44.717 1.00 45.28 C +ATOM 125 N GLY A 33 27.175 57.566 47.208 1.00 43.72 N +ATOM 126 CA GLY A 33 25.941 58.207 47.686 1.00 44.40 C +ATOM 127 C GLY A 33 26.098 58.461 49.181 1.00 44.98 C +ATOM 128 O GLY A 33 27.204 58.759 49.644 1.00 44.29 O +ATOM 129 N ASN A 34 25.057 58.211 49.957 1.00 47.11 N +ATOM 130 CA ASN A 34 25.104 58.441 51.394 1.00 51.08 C +ATOM 131 C ASN A 34 25.772 57.354 52.192 1.00 50.03 C +ATOM 132 O ASN A 34 25.687 57.343 53.435 1.00 51.75 O +ATOM 133 CB ASN A 34 23.636 58.592 51.896 1.00 58.30 C +ATOM 134 CG ASN A 34 22.694 57.553 51.343 1.00 64.14 C +ATOM 135 OD1 ASN A 34 23.064 56.646 50.588 1.00 69.65 O +ATOM 136 ND2 ASN A 34 21.413 57.664 51.719 1.00 67.38 N +ATOM 137 N GLN A 35 26.288 56.298 51.532 1.00 48.28 N +ATOM 138 CA GLN A 35 26.793 55.154 52.284 1.00 44.54 C +ATOM 139 C GLN A 35 28.072 54.518 51.805 1.00 42.00 C +ATOM 140 O GLN A 35 28.410 54.557 50.622 1.00 40.63 O +ATOM 141 CB GLN A 35 25.662 54.069 52.223 1.00 48.13 C +ATOM 142 CG GLN A 35 24.290 54.594 52.523 1.00 52.20 C +ATOM 143 CD GLN A 35 23.125 53.676 52.492 1.00 57.02 C +ATOM 144 OE1 GLN A 35 22.079 53.929 53.118 1.00 59.31 O +ATOM 145 NE2 GLN A 35 23.229 52.559 51.774 1.00 58.90 N +ATOM 146 N THR A 36 28.772 53.861 52.734 1.00 37.41 N +ATOM 147 CA THR A 36 29.999 53.162 52.448 1.00 34.94 C +ATOM 148 C THR A 36 29.612 51.853 51.690 1.00 33.89 C +ATOM 149 O THR A 36 28.449 51.485 51.689 1.00 31.24 O +ATOM 150 CB THR A 36 30.875 52.795 53.624 1.00 36.54 C +ATOM 151 OG1 THR A 36 30.254 51.834 54.493 1.00 31.74 O +ATOM 152 CG2 THR A 36 31.236 54.039 54.451 1.00 36.21 C +ATOM 153 N ILE A 37 30.610 51.305 51.033 1.00 32.88 N +ATOM 154 CA ILE A 37 30.347 50.075 50.238 1.00 28.92 C +ATOM 155 C ILE A 37 29.846 48.989 51.200 1.00 30.15 C +ATOM 156 O ILE A 37 28.819 48.376 50.908 1.00 30.44 O +ATOM 157 CB ILE A 37 31.580 49.647 49.475 1.00 29.50 C +ATOM 158 CG1 ILE A 37 31.981 50.727 48.451 1.00 31.17 C +ATOM 159 CG2 ILE A 37 31.308 48.313 48.746 1.00 30.72 C +ATOM 160 CD1 ILE A 37 31.063 50.858 47.264 1.00 32.08 C +ATOM 161 N LEU A 38 30.521 48.834 52.329 1.00 29.72 N +ATOM 162 CA LEU A 38 30.119 47.886 53.363 1.00 27.90 C +ATOM 163 C LEU A 38 28.642 48.050 53.688 1.00 28.20 C +ATOM 164 O LEU A 38 27.896 47.063 53.816 1.00 27.48 O +ATOM 165 CB LEU A 38 30.969 48.049 54.623 1.00 30.95 C +ATOM 166 CG LEU A 38 30.576 47.112 55.800 1.00 30.46 C +ATOM 167 CD1 LEU A 38 30.749 45.663 55.412 1.00 22.99 C +ATOM 168 CD2 LEU A 38 31.378 47.461 57.037 1.00 30.02 C +ATOM 169 N GLU A 39 28.155 49.289 53.874 1.00 28.38 N +ATOM 170 CA GLU A 39 26.725 49.468 54.195 1.00 27.68 C +ATOM 171 C GLU A 39 25.814 49.014 53.098 1.00 27.58 C +ATOM 172 O GLU A 39 24.706 48.516 53.283 1.00 27.83 O +ATOM 173 CB GLU A 39 26.447 50.965 54.525 1.00 32.94 C +ATOM 174 CG GLU A 39 27.153 51.448 55.788 1.00 33.26 C +ATOM 175 CD GLU A 39 27.178 52.979 55.886 1.00 37.51 C +ATOM 176 OE1 GLU A 39 28.137 53.623 55.415 1.00 33.33 O +ATOM 177 OE2 GLU A 39 26.206 53.538 56.443 1.00 41.17 O +ATOM 178 N HIS A 40 26.175 49.287 51.819 1.00 26.22 N +ATOM 179 CA HIS A 40 25.429 48.892 50.679 1.00 28.24 C +ATOM 180 C HIS A 40 25.347 47.326 50.665 1.00 24.65 C +ATOM 181 O HIS A 40 24.295 46.809 50.393 1.00 27.82 O +ATOM 182 CB HIS A 40 26.099 49.344 49.358 1.00 28.55 C +ATOM 183 CG HIS A 40 25.939 50.815 49.080 1.00 29.88 C +ATOM 184 ND1 HIS A 40 24.759 51.372 48.706 1.00 33.53 N +ATOM 185 CD2 HIS A 40 26.835 51.823 49.080 1.00 30.91 C +ATOM 186 CE1 HIS A 40 24.901 52.669 48.503 1.00 34.34 C +ATOM 187 NE2 HIS A 40 26.179 52.967 48.738 1.00 29.90 N +ATOM 188 N SER A 41 26.462 46.720 50.897 1.00 27.07 N +ATOM 189 CA SER A 41 26.566 45.236 50.903 1.00 25.76 C +ATOM 190 C SER A 41 25.724 44.658 52.029 1.00 26.72 C +ATOM 191 O SER A 41 24.880 43.809 51.822 1.00 27.35 O +ATOM 192 CB SER A 41 28.015 44.851 51.077 1.00 26.97 C +ATOM 193 OG SER A 41 28.172 43.464 51.344 1.00 34.42 O +ATOM 194 N VAL A 42 25.847 45.261 53.220 1.00 28.47 N +ATOM 195 CA VAL A 42 25.025 44.742 54.347 1.00 27.51 C +ATOM 196 C VAL A 42 23.546 44.915 54.106 1.00 28.30 C +ATOM 197 O VAL A 42 22.701 44.048 54.371 1.00 25.51 O +ATOM 198 CB VAL A 42 25.459 45.381 55.656 1.00 29.28 C +ATOM 199 CG1 VAL A 42 24.489 45.007 56.787 1.00 33.72 C +ATOM 200 CG2 VAL A 42 26.884 45.061 56.034 1.00 29.96 C +ATOM 201 N HIS A 43 23.126 46.097 53.662 1.00 29.02 N +ATOM 202 CA HIS A 43 21.716 46.362 53.407 1.00 30.86 C +ATOM 203 C HIS A 43 21.124 45.459 52.359 1.00 27.92 C +ATOM 204 O HIS A 43 19.963 45.091 52.418 1.00 27.71 O +ATOM 205 CB HIS A 43 21.531 47.853 53.020 1.00 37.84 C +ATOM 206 CG HIS A 43 21.560 48.722 54.243 1.00 43.72 C +ATOM 207 ND1 HIS A 43 22.410 49.790 54.391 1.00 46.93 N +ATOM 208 CD2 HIS A 43 20.841 48.635 55.399 1.00 42.69 C +ATOM 209 CE1 HIS A 43 22.214 50.334 55.581 1.00 48.92 C +ATOM 210 NE2 HIS A 43 21.269 49.650 56.204 1.00 47.14 N +ATOM 211 N ALA A 44 21.952 45.011 51.393 1.00 27.80 N +ATOM 212 CA ALA A 44 21.406 44.101 50.376 1.00 28.50 C +ATOM 213 C ALA A 44 21.083 42.766 51.016 1.00 25.74 C +ATOM 214 O ALA A 44 20.161 42.049 50.605 1.00 27.86 O +ATOM 215 CB ALA A 44 22.467 43.936 49.271 1.00 27.17 C +ATOM 216 N LEU A 45 21.906 42.365 51.984 1.00 24.10 N +ATOM 217 CA LEU A 45 21.679 41.071 52.654 1.00 22.81 C +ATOM 218 C LEU A 45 20.436 41.173 53.548 1.00 24.68 C +ATOM 219 O LEU A 45 19.571 40.294 53.543 1.00 25.64 O +ATOM 220 CB LEU A 45 22.906 40.744 53.539 1.00 22.89 C +ATOM 221 CG LEU A 45 24.232 40.466 52.829 1.00 25.94 C +ATOM 222 CD1 LEU A 45 25.411 40.363 53.800 1.00 22.96 C +ATOM 223 CD2 LEU A 45 24.154 39.175 52.012 1.00 25.03 C +ATOM 224 N LEU A 46 20.336 42.301 54.254 1.00 25.53 N +ATOM 225 CA LEU A 46 19.218 42.532 55.187 1.00 29.86 C +ATOM 226 C LEU A 46 17.880 42.734 54.494 1.00 32.45 C +ATOM 227 O LEU A 46 16.811 42.530 55.086 1.00 31.86 O +ATOM 228 CB LEU A 46 19.534 43.729 56.085 1.00 28.35 C +ATOM 229 CG LEU A 46 20.565 43.604 57.189 1.00 30.58 C +ATOM 230 CD1 LEU A 46 20.824 44.968 57.852 1.00 31.14 C +ATOM 231 CD2 LEU A 46 20.090 42.608 58.243 1.00 34.76 C +ATOM 232 N ALA A 47 17.899 43.009 53.188 1.00 34.42 N +ATOM 233 CA ALA A 47 16.704 43.175 52.386 1.00 35.14 C +ATOM 234 C ALA A 47 15.874 41.922 52.252 1.00 35.20 C +ATOM 235 O ALA A 47 14.643 41.969 52.052 1.00 37.04 O +ATOM 236 CB ALA A 47 17.041 43.761 51.025 1.00 37.55 C +ATOM 237 N HIS A 48 16.474 40.738 52.372 1.00 34.03 N +ATOM 238 CA HIS A 48 15.681 39.504 52.266 1.00 32.74 C +ATOM 239 C HIS A 48 15.187 39.139 53.667 1.00 35.25 C +ATOM 240 O HIS A 48 15.993 39.120 54.602 1.00 32.95 O +ATOM 241 CB HIS A 48 16.565 38.365 51.745 1.00 31.33 C +ATOM 242 CG HIS A 48 15.763 37.175 51.350 1.00 32.45 C +ATOM 243 ND1 HIS A 48 15.156 36.329 52.236 1.00 30.75 N +ATOM 244 CD2 HIS A 48 15.459 36.704 50.104 1.00 35.76 C +ATOM 245 CE1 HIS A 48 14.528 35.361 51.590 1.00 32.63 C +ATOM 246 NE2 HIS A 48 14.714 35.572 50.288 1.00 35.24 N +ATOM 247 N PRO A 49 13.923 38.784 53.797 1.00 35.51 N +ATOM 248 CA PRO A 49 13.320 38.482 55.074 1.00 34.76 C +ATOM 249 C PRO A 49 13.896 37.306 55.799 1.00 34.41 C +ATOM 250 O PRO A 49 13.807 37.260 57.040 1.00 33.71 O +ATOM 251 CB PRO A 49 11.841 38.291 54.780 1.00 37.16 C +ATOM 252 CG PRO A 49 11.730 38.137 53.321 1.00 36.82 C +ATOM 253 CD PRO A 49 12.930 38.765 52.693 1.00 38.02 C +ATOM 254 N ARG A 50 14.509 36.334 55.106 1.00 30.12 N +ATOM 255 CA ARG A 50 15.078 35.209 55.854 1.00 29.25 C +ATOM 256 C ARG A 50 16.384 35.636 56.516 1.00 25.95 C +ATOM 257 O ARG A 50 16.875 34.937 57.395 1.00 26.82 O +ATOM 258 CB ARG A 50 15.334 33.999 54.955 1.00 26.77 C +ATOM 259 CG ARG A 50 14.120 33.206 54.534 1.00 30.75 C +ATOM 260 CD ARG A 50 14.514 32.031 53.621 1.00 27.88 C +ATOM 261 NE ARG A 50 15.343 31.063 54.359 1.00 30.45 N +ATOM 262 CZ ARG A 50 15.978 30.061 53.735 1.00 29.36 C +ATOM 263 NH1 ARG A 50 16.722 29.218 54.449 1.00 26.33 N +ATOM 264 NH2 ARG A 50 15.845 29.883 52.422 1.00 30.86 N +ATOM 265 N VAL A 51 17.025 36.734 56.053 1.00 25.65 N +ATOM 266 CA VAL A 51 18.308 37.060 56.702 1.00 25.37 C +ATOM 267 C VAL A 51 18.054 37.975 57.882 1.00 25.62 C +ATOM 268 O VAL A 51 18.033 39.190 57.821 1.00 26.92 O +ATOM 269 CB VAL A 51 19.478 37.277 55.835 1.00 32.11 C +ATOM 270 CG1 VAL A 51 19.235 37.031 54.355 1.00 25.93 C +ATOM 271 CG2 VAL A 51 20.404 38.408 56.122 1.00 28.20 C +ATOM 272 N LYS A 52 17.900 37.300 59.036 1.00 25.74 N +ATOM 273 CA LYS A 52 17.513 38.027 60.260 1.00 26.48 C +ATOM 274 C LYS A 52 18.639 38.808 60.883 1.00 26.83 C +ATOM 275 O LYS A 52 18.452 39.831 61.571 1.00 26.09 O +ATOM 276 CB LYS A 52 16.968 36.995 61.237 1.00 28.86 C +ATOM 277 CG LYS A 52 15.868 36.106 60.658 1.00 32.00 C +ATOM 278 CD LYS A 52 14.566 36.856 60.488 1.00 38.78 C +ATOM 279 CE LYS A 52 13.435 35.915 60.043 1.00 37.45 C +ATOM 280 NZ LYS A 52 12.848 35.246 61.268 1.00 43.09 N +ATOM 281 N ARG A 53 19.861 38.289 60.715 1.00 25.14 N +ATOM 282 CA ARG A 53 21.010 38.957 61.341 1.00 21.90 C +ATOM 283 C ARG A 53 22.216 38.928 60.401 1.00 23.95 C +ATOM 284 O ARG A 53 22.337 38.016 59.589 1.00 24.11 O +ATOM 285 CB ARG A 53 21.424 38.092 62.573 1.00 22.11 C +ATOM 286 CG ARG A 53 20.332 37.889 63.593 1.00 22.73 C +ATOM 287 CD ARG A 53 20.801 37.000 64.789 1.00 26.41 C +ATOM 288 NE ARG A 53 22.064 37.620 65.314 1.00 24.05 N +ATOM 289 CZ ARG A 53 23.062 36.835 65.697 1.00 20.81 C +ATOM 290 NH1 ARG A 53 24.204 37.354 66.131 1.00 22.43 N +ATOM 291 NH2 ARG A 53 22.881 35.503 65.675 1.00 22.67 N +ATOM 292 N VAL A 54 23.061 39.925 60.593 1.00 22.84 N +ATOM 293 CA VAL A 54 24.317 39.986 59.850 1.00 23.78 C +ATOM 294 C VAL A 54 25.443 40.136 60.901 1.00 23.00 C +ATOM 295 O VAL A 54 25.371 41.027 61.745 1.00 25.61 O +ATOM 296 CB VAL A 54 24.394 41.156 58.880 1.00 25.85 C +ATOM 297 CG1 VAL A 54 25.804 41.197 58.265 1.00 24.88 C +ATOM 298 CG2 VAL A 54 23.370 41.040 57.759 1.00 25.49 C +ATOM 299 N VAL A 55 26.355 39.192 60.898 1.00 22.02 N +ATOM 300 CA VAL A 55 27.527 39.242 61.785 1.00 21.32 C +ATOM 301 C VAL A 55 28.688 39.845 60.980 1.00 25.02 C +ATOM 302 O VAL A 55 28.987 39.294 59.895 1.00 23.43 O +ATOM 303 CB VAL A 55 27.908 37.854 62.262 1.00 22.47 C +ATOM 304 CG1 VAL A 55 29.187 37.883 63.139 1.00 20.74 C +ATOM 305 CG2 VAL A 55 26.788 37.208 63.094 1.00 20.35 C +ATOM 306 N ILE A 56 29.282 40.922 61.422 1.00 22.60 N +ATOM 307 CA ILE A 56 30.400 41.532 60.691 1.00 25.01 C +ATOM 308 C ILE A 56 31.680 41.309 61.477 1.00 24.79 C +ATOM 309 O ILE A 56 31.716 41.560 62.700 1.00 26.00 O +ATOM 310 CB ILE A 56 30.185 43.034 60.454 1.00 22.45 C +ATOM 311 CG1 ILE A 56 28.843 43.255 59.736 1.00 21.25 C +ATOM 312 CG2 ILE A 56 31.328 43.624 59.641 1.00 23.53 C +ATOM 313 CD1 ILE A 56 28.373 44.664 59.600 1.00 25.02 C +ATOM 314 N ALA A 57 32.670 40.691 60.837 1.00 24.87 N +ATOM 315 CA ALA A 57 33.959 40.485 61.579 1.00 27.69 C +ATOM 316 C ALA A 57 34.796 41.734 61.367 1.00 31.23 C +ATOM 317 O ALA A 57 35.038 42.121 60.194 1.00 29.45 O +ATOM 318 CB ALA A 57 34.650 39.244 61.056 1.00 31.60 C +ATOM 319 N ILE A 58 35.214 42.377 62.447 1.00 29.37 N +ATOM 320 CA ILE A 58 35.972 43.630 62.354 1.00 35.32 C +ATOM 321 C ILE A 58 37.282 43.517 63.118 1.00 36.76 C +ATOM 322 O ILE A 58 37.396 42.776 64.098 1.00 36.78 O +ATOM 323 CB ILE A 58 35.112 44.751 62.980 1.00 33.86 C +ATOM 324 CG1 ILE A 58 33.930 45.103 62.062 1.00 32.10 C +ATOM 325 CG2 ILE A 58 35.902 45.983 63.333 1.00 35.74 C +ATOM 326 CD1 ILE A 58 34.309 45.509 60.657 1.00 32.50 C +ATOM 327 N SER A 59 38.328 44.169 62.613 1.00 41.28 N +ATOM 328 CA SER A 59 39.610 44.096 63.359 1.00 45.65 C +ATOM 329 C SER A 59 39.615 45.172 64.454 1.00 46.42 C +ATOM 330 O SER A 59 39.121 46.279 64.177 1.00 46.09 O +ATOM 331 CB SER A 59 40.768 44.293 62.399 1.00 51.23 C +ATOM 332 OG SER A 59 40.355 45.054 61.271 1.00 57.04 O +ATOM 333 N SER A 63 38.449 53.747 65.178 1.00 57.66 N +ATOM 334 CA SER A 63 38.424 52.916 63.976 1.00 56.69 C +ATOM 335 C SER A 63 37.224 53.263 63.094 1.00 55.37 C +ATOM 336 O SER A 63 36.149 53.586 63.601 1.00 55.52 O +ATOM 337 CB SER A 63 38.421 51.435 64.357 1.00 58.45 C +ATOM 338 OG SER A 63 38.770 50.609 63.272 1.00 59.78 O +ATOM 339 N ARG A 64 37.400 53.100 61.792 1.00 53.57 N +ATOM 340 CA ARG A 64 36.420 53.406 60.767 1.00 50.33 C +ATOM 341 C ARG A 64 35.056 52.793 60.999 1.00 48.56 C +ATOM 342 O ARG A 64 34.034 53.509 60.938 1.00 48.61 O +ATOM 343 CB AARG A 64 36.977 52.977 59.398 0.65 51.50 C +ATOM 344 CB BARG A 64 36.985 52.990 59.394 0.35 47.75 C +ATOM 345 CG AARG A 64 36.380 53.705 58.229 0.65 51.33 C +ATOM 346 CG BARG A 64 36.425 53.747 58.211 0.35 46.22 C +ATOM 347 CD AARG A 64 37.120 55.020 57.931 0.65 51.34 C +ATOM 348 CD BARG A 64 37.047 55.108 58.027 0.35 44.91 C +ATOM 349 NE AARG A 64 36.474 55.658 56.764 0.65 49.41 N +ATOM 350 NE BARG A 64 38.028 55.202 56.966 0.35 43.58 N +ATOM 351 CZ AARG A 64 35.223 56.112 56.824 0.65 50.14 C +ATOM 352 CZ BARG A 64 39.320 54.936 57.062 0.35 42.83 C +ATOM 353 NH1AARG A 64 34.658 56.673 55.764 0.65 52.22 N +ATOM 354 NH1BARG A 64 40.118 55.072 56.008 0.35 43.34 N +ATOM 355 NH2AARG A 64 34.523 56.028 57.948 0.65 49.19 N +ATOM 356 NH2BARG A 64 39.837 54.540 58.218 0.35 42.64 N +ATOM 357 N PHE A 65 34.950 51.509 61.327 1.00 48.22 N +ATOM 358 CA PHE A 65 33.670 50.866 61.546 1.00 44.45 C +ATOM 359 C PHE A 65 32.796 51.514 62.601 1.00 45.08 C +ATOM 360 O PHE A 65 31.562 51.600 62.477 1.00 44.20 O +ATOM 361 CB PHE A 65 33.862 49.375 61.924 1.00 42.26 C +ATOM 362 CG PHE A 65 32.506 48.705 62.020 1.00 41.40 C +ATOM 363 CD1 PHE A 65 31.930 48.463 63.257 1.00 40.92 C +ATOM 364 CD2 PHE A 65 31.803 48.370 60.879 1.00 36.95 C +ATOM 365 CE1 PHE A 65 30.679 47.870 63.330 1.00 40.53 C +ATOM 366 CE2 PHE A 65 30.562 47.789 60.943 1.00 37.79 C +ATOM 367 CZ PHE A 65 29.993 47.529 62.189 1.00 41.21 C +ATOM 368 N ALA A 66 33.402 51.917 63.705 1.00 46.43 N +ATOM 369 CA ALA A 66 32.683 52.542 64.798 1.00 46.39 C +ATOM 370 C ALA A 66 31.947 53.806 64.450 1.00 46.07 C +ATOM 371 O ALA A 66 30.883 54.070 65.044 1.00 47.11 O +ATOM 372 CB ALA A 66 33.625 52.753 65.981 1.00 47.78 C +ATOM 373 N GLN A 67 32.362 54.592 63.457 1.00 45.11 N +ATOM 374 CA GLN A 67 31.661 55.830 63.122 1.00 42.66 C +ATOM 375 C GLN A 67 30.407 55.597 62.313 1.00 41.33 C +ATOM 376 O GLN A 67 29.495 56.425 62.235 1.00 40.86 O +ATOM 377 CB GLN A 67 32.622 56.789 62.415 1.00 49.11 C +ATOM 378 CG GLN A 67 32.612 56.711 60.898 1.00 57.07 C +ATOM 379 CD GLN A 67 31.561 57.578 60.248 1.00 55.36 C +ATOM 380 OE1 GLN A 67 31.281 57.482 59.054 1.00 58.86 O +ATOM 381 NE2 GLN A 67 30.927 58.451 61.032 1.00 59.97 N +ATOM 382 N LEU A 68 30.303 54.418 61.692 1.00 38.03 N +ATOM 383 CA LEU A 68 29.165 54.068 60.866 1.00 34.81 C +ATOM 384 C LEU A 68 27.957 53.716 61.701 1.00 35.44 C +ATOM 385 O LEU A 68 28.119 53.213 62.817 1.00 35.64 O +ATOM 386 CB LEU A 68 29.589 52.763 60.098 1.00 35.45 C +ATOM 387 CG LEU A 68 30.442 52.942 58.863 1.00 39.16 C +ATOM 388 CD1 LEU A 68 31.737 53.678 59.100 1.00 39.58 C +ATOM 389 CD2 LEU A 68 30.738 51.546 58.234 1.00 29.74 C +ATOM 390 N PRO A 69 26.744 53.871 61.175 1.00 36.89 N +ATOM 391 CA PRO A 69 25.556 53.502 61.912 1.00 38.44 C +ATOM 392 C PRO A 69 25.332 51.999 61.991 1.00 39.85 C +ATOM 393 O PRO A 69 24.430 51.547 62.717 1.00 41.77 O +ATOM 394 CB PRO A 69 24.419 54.170 61.179 1.00 38.59 C +ATOM 395 CG PRO A 69 24.938 54.678 59.900 1.00 40.27 C +ATOM 396 CD PRO A 69 26.430 54.533 59.897 1.00 39.15 C +ATOM 397 N LEU A 70 26.123 51.187 61.288 1.00 40.27 N +ATOM 398 CA LEU A 70 25.984 49.738 61.317 1.00 39.77 C +ATOM 399 C LEU A 70 26.169 49.161 62.700 1.00 41.87 C +ATOM 400 O LEU A 70 25.499 48.207 63.112 1.00 41.16 O +ATOM 401 CB LEU A 70 27.029 49.118 60.364 1.00 40.94 C +ATOM 402 CG LEU A 70 26.566 48.593 59.017 1.00 40.79 C +ATOM 403 CD1 LEU A 70 25.239 49.115 58.560 1.00 38.43 C +ATOM 404 CD2 LEU A 70 27.662 48.791 57.974 1.00 41.77 C +ATOM 405 N ALA A 71 27.126 49.686 63.445 1.00 43.85 N +ATOM 406 CA ALA A 71 27.456 49.286 64.782 1.00 46.11 C +ATOM 407 C ALA A 71 26.266 49.216 65.729 1.00 46.25 C +ATOM 408 O ALA A 71 26.140 48.261 66.511 1.00 47.89 O +ATOM 409 CB ALA A 71 28.473 50.315 65.332 1.00 48.60 C +ATOM 410 N ASN A 72 25.347 50.161 65.630 1.00 44.89 N +ATOM 411 CA ASN A 72 24.189 50.199 66.520 1.00 43.59 C +ATOM 412 C ASN A 72 22.927 49.672 65.884 1.00 40.78 C +ATOM 413 O ASN A 72 21.841 49.842 66.450 1.00 42.52 O +ATOM 414 CB ASN A 72 23.990 51.669 66.964 1.00 48.53 C +ATOM 415 CG ASN A 72 23.792 51.817 68.451 1.00 51.18 C +ATOM 416 OD1 ASN A 72 23.366 50.900 69.162 1.00 48.06 O +ATOM 417 ND2 ASN A 72 24.123 53.003 68.980 1.00 54.95 N +ATOM 418 N HIS A 73 23.014 48.958 64.761 1.00 36.78 N +ATOM 419 CA HIS A 73 21.771 48.457 64.113 1.00 32.82 C +ATOM 420 C HIS A 73 21.284 47.263 64.905 1.00 31.94 C +ATOM 421 O HIS A 73 22.098 46.419 65.299 1.00 29.25 O +ATOM 422 CB HIS A 73 22.086 48.146 62.648 1.00 29.36 C +ATOM 423 CG HIS A 73 20.942 47.653 61.823 1.00 26.88 C +ATOM 424 ND1 HIS A 73 20.478 48.296 60.696 1.00 34.67 N +ATOM 425 CD2 HIS A 73 20.135 46.586 61.971 1.00 26.49 C +ATOM 426 CE1 HIS A 73 19.448 47.666 60.189 1.00 30.29 C +ATOM 427 NE2 HIS A 73 19.230 46.577 60.958 1.00 32.45 N +ATOM 428 N PRO A 74 19.983 47.077 65.076 1.00 30.99 N +ATOM 429 CA PRO A 74 19.453 45.970 65.849 1.00 31.29 C +ATOM 430 C PRO A 74 19.694 44.597 65.240 1.00 28.92 C +ATOM 431 O PRO A 74 19.656 43.591 65.952 1.00 26.68 O +ATOM 432 CB PRO A 74 17.966 46.271 65.964 1.00 32.85 C +ATOM 433 CG PRO A 74 17.667 47.256 64.905 1.00 33.77 C +ATOM 434 CD PRO A 74 18.928 48.049 64.685 1.00 33.62 C +ATOM 435 N GLN A 75 20.033 44.541 63.947 1.00 25.56 N +ATOM 436 CA GLN A 75 20.266 43.219 63.329 1.00 27.59 C +ATOM 437 C GLN A 75 21.726 42.933 63.112 1.00 25.36 C +ATOM 438 O GLN A 75 22.088 41.894 62.539 1.00 27.46 O +ATOM 439 CB GLN A 75 19.544 43.198 61.955 1.00 26.43 C +ATOM 440 CG GLN A 75 18.018 43.136 62.135 1.00 26.99 C +ATOM 441 CD GLN A 75 17.290 43.181 60.816 1.00 31.07 C +ATOM 442 OE1 GLN A 75 17.077 44.262 60.261 1.00 32.42 O +ATOM 443 NE2 GLN A 75 16.966 42.009 60.269 1.00 29.18 N +ATOM 444 N ILE A 76 22.594 43.860 63.531 1.00 24.81 N +ATOM 445 CA ILE A 76 24.018 43.662 63.279 1.00 25.04 C +ATOM 446 C ILE A 76 24.835 43.339 64.499 1.00 26.06 C +ATOM 447 O ILE A 76 24.966 44.162 65.420 1.00 26.18 O +ATOM 448 CB ILE A 76 24.582 44.903 62.537 1.00 29.23 C +ATOM 449 CG1 ILE A 76 23.958 44.882 61.114 1.00 33.10 C +ATOM 450 CG2 ILE A 76 26.083 44.880 62.486 1.00 29.01 C +ATOM 451 CD1 ILE A 76 24.283 46.092 60.281 1.00 41.03 C +ATOM 452 N THR A 77 25.551 42.228 64.426 1.00 21.78 N +ATOM 453 CA THR A 77 26.433 41.755 65.464 1.00 21.73 C +ATOM 454 C THR A 77 27.884 41.925 65.008 1.00 25.16 C +ATOM 455 O THR A 77 28.167 41.711 63.808 1.00 23.61 O +ATOM 456 CB THR A 77 26.160 40.260 65.765 1.00 21.67 C +ATOM 457 OG1 THR A 77 24.954 40.100 66.504 1.00 22.50 O +ATOM 458 CG2 THR A 77 27.297 39.604 66.526 1.00 21.10 C +ATOM 459 N VAL A 78 28.761 42.263 65.924 1.00 23.17 N +ATOM 460 CA VAL A 78 30.184 42.383 65.634 1.00 25.78 C +ATOM 461 C VAL A 78 30.966 41.288 66.366 1.00 26.99 C +ATOM 462 O VAL A 78 30.710 40.906 67.525 1.00 26.64 O +ATOM 463 CB VAL A 78 30.729 43.742 66.090 1.00 25.50 C +ATOM 464 CG1 VAL A 78 32.241 43.854 65.820 1.00 31.63 C +ATOM 465 CG2 VAL A 78 29.993 44.878 65.425 1.00 28.75 C +ATOM 466 N VAL A 79 31.952 40.715 65.674 1.00 26.09 N +ATOM 467 CA VAL A 79 32.840 39.726 66.237 1.00 26.49 C +ATOM 468 C VAL A 79 34.267 40.155 65.835 1.00 27.89 C +ATOM 469 O VAL A 79 34.371 41.015 64.970 1.00 25.15 O +ATOM 470 CB VAL A 79 32.625 38.272 65.792 1.00 28.14 C +ATOM 471 CG1 VAL A 79 31.243 37.789 66.197 1.00 24.90 C +ATOM 472 CG2 VAL A 79 32.855 38.157 64.287 1.00 22.79 C +ATOM 473 N ASP A 80 35.279 39.611 66.477 1.00 29.65 N +ATOM 474 CA ASP A 80 36.631 40.067 66.067 1.00 31.97 C +ATOM 475 C ASP A 80 37.047 39.321 64.796 1.00 33.66 C +ATOM 476 O ASP A 80 36.843 38.114 64.732 1.00 32.92 O +ATOM 477 CB ASP A 80 37.632 39.728 67.168 1.00 33.10 C +ATOM 478 CG ASP A 80 37.473 40.566 68.414 1.00 31.43 C +ATOM 479 OD1 ASP A 80 36.713 41.543 68.446 1.00 34.76 O +ATOM 480 OD2 ASP A 80 38.167 40.244 69.406 1.00 32.77 O +ATOM 481 N GLY A 81 37.706 40.020 63.887 1.00 35.85 N +ATOM 482 CA GLY A 81 38.201 39.362 62.663 1.00 39.84 C +ATOM 483 C GLY A 81 39.473 38.599 63.030 1.00 43.62 C +ATOM 484 O GLY A 81 40.054 38.883 64.080 1.00 43.88 O +ATOM 485 N GLY A 82 39.909 37.632 62.217 1.00 44.95 N +ATOM 486 CA GLY A 82 41.131 36.900 62.576 1.00 47.90 C +ATOM 487 C GLY A 82 42.234 37.079 61.534 1.00 49.12 C +ATOM 488 O GLY A 82 42.155 37.902 60.628 1.00 48.21 O +ATOM 489 N ASP A 83 43.282 36.256 61.677 1.00 49.15 N +ATOM 490 CA ASP A 83 44.418 36.309 60.767 1.00 50.02 C +ATOM 491 C ASP A 83 43.985 36.255 59.314 1.00 50.75 C +ATOM 492 O ASP A 83 44.452 37.088 58.522 1.00 51.23 O +ATOM 493 CB ASP A 83 45.438 35.226 61.104 1.00 50.90 C +ATOM 494 N GLU A 84 43.116 35.332 58.908 1.00 48.34 N +ATOM 495 CA GLU A 84 42.714 35.358 57.485 1.00 46.85 C +ATOM 496 C GLU A 84 41.205 35.350 57.358 1.00 45.32 C +ATOM 497 O GLU A 84 40.510 35.231 58.379 1.00 45.31 O +ATOM 498 CB GLU A 84 43.363 34.206 56.747 1.00 52.18 C +ATOM 499 CG GLU A 84 43.023 32.822 57.278 1.00 56.58 C +ATOM 500 CD GLU A 84 43.702 31.724 56.472 1.00 60.94 C +ATOM 501 OE1 GLU A 84 44.823 31.318 56.862 1.00 60.57 O +ATOM 502 OE2 GLU A 84 43.128 31.271 55.454 1.00 61.43 O +ATOM 503 N ARG A 85 40.685 35.486 56.143 1.00 42.50 N +ATOM 504 CA ARG A 85 39.247 35.448 55.913 1.00 39.41 C +ATOM 505 C ARG A 85 38.628 34.254 56.636 1.00 37.36 C +ATOM 506 O ARG A 85 37.637 34.403 57.346 1.00 34.16 O +ATOM 507 CB ARG A 85 38.922 35.366 54.416 1.00 39.80 C +ATOM 508 CG ARG A 85 37.435 35.333 54.109 1.00 40.28 C +ATOM 509 CD ARG A 85 37.087 34.671 52.791 1.00 39.27 C +ATOM 510 NE ARG A 85 35.676 34.781 52.443 1.00 39.66 N +ATOM 511 CZ ARG A 85 35.055 35.856 52.009 1.00 40.73 C +ATOM 512 NH1 ARG A 85 35.720 37.010 51.845 1.00 43.93 N +ATOM 513 NH2 ARG A 85 33.748 35.832 51.738 1.00 42.93 N +ATOM 514 N ALA A 86 39.190 33.054 56.467 1.00 35.82 N +ATOM 515 CA ALA A 86 38.667 31.863 57.099 1.00 36.89 C +ATOM 516 C ALA A 86 38.487 31.994 58.598 1.00 35.67 C +ATOM 517 O ALA A 86 37.436 31.612 59.130 1.00 34.53 O +ATOM 518 CB ALA A 86 39.529 30.632 56.796 1.00 40.12 C +ATOM 519 N ASP A 87 39.495 32.522 59.299 1.00 35.57 N +ATOM 520 CA ASP A 87 39.383 32.674 60.746 1.00 34.30 C +ATOM 521 C ASP A 87 38.214 33.594 61.086 1.00 31.58 C +ATOM 522 O ASP A 87 37.482 33.321 62.035 1.00 31.09 O +ATOM 523 CB ASP A 87 40.653 33.243 61.378 1.00 42.89 C +ATOM 524 CG ASP A 87 41.826 32.295 61.264 1.00 45.22 C +ATOM 525 OD1 ASP A 87 41.849 31.313 62.037 1.00 48.24 O +ATOM 526 OD2 ASP A 87 42.689 32.518 60.395 1.00 49.52 O +ATOM 527 N SER A 88 38.067 34.666 60.305 1.00 30.35 N +ATOM 528 CA SER A 88 36.990 35.614 60.518 1.00 28.06 C +ATOM 529 C SER A 88 35.624 34.953 60.375 1.00 26.84 C +ATOM 530 O SER A 88 34.664 35.251 61.105 1.00 22.79 O +ATOM 531 CB SER A 88 37.069 36.753 59.460 1.00 33.20 C +ATOM 532 OG SER A 88 38.046 37.684 59.840 1.00 39.02 O +ATOM 533 N VAL A 89 35.487 34.137 59.323 1.00 23.93 N +ATOM 534 CA VAL A 89 34.206 33.444 59.120 1.00 23.79 C +ATOM 535 C VAL A 89 33.882 32.542 60.278 1.00 23.63 C +ATOM 536 O VAL A 89 32.746 32.449 60.778 1.00 23.03 O +ATOM 537 CB VAL A 89 34.240 32.676 57.778 1.00 25.54 C +ATOM 538 CG1 VAL A 89 32.901 31.967 57.581 1.00 23.82 C +ATOM 539 CG2 VAL A 89 34.468 33.648 56.628 1.00 26.79 C +ATOM 540 N LEU A 90 34.857 31.768 60.779 1.00 23.72 N +ATOM 541 CA LEU A 90 34.573 30.896 61.936 1.00 24.56 C +ATOM 542 C LEU A 90 34.129 31.718 63.139 1.00 25.47 C +ATOM 543 O LEU A 90 33.290 31.267 63.927 1.00 25.04 O +ATOM 544 CB LEU A 90 35.834 30.094 62.279 1.00 28.73 C +ATOM 545 CG LEU A 90 36.150 28.932 61.354 1.00 30.96 C +ATOM 546 CD1 LEU A 90 37.494 28.315 61.696 1.00 28.66 C +ATOM 547 CD2 LEU A 90 35.044 27.878 61.448 1.00 28.16 C +ATOM 548 N ALA A 91 34.731 32.913 63.299 1.00 23.87 N +ATOM 549 CA ALA A 91 34.301 33.762 64.444 1.00 24.82 C +ATOM 550 C ALA A 91 32.870 34.192 64.254 1.00 22.37 C +ATOM 551 O ALA A 91 32.046 34.186 65.186 1.00 24.97 O +ATOM 552 CB ALA A 91 35.276 34.936 64.565 1.00 26.75 C +ATOM 553 N GLY A 92 32.482 34.481 63.015 1.00 22.60 N +ATOM 554 CA GLY A 92 31.111 34.837 62.660 1.00 23.98 C +ATOM 555 C GLY A 92 30.192 33.652 62.921 1.00 23.90 C +ATOM 556 O GLY A 92 29.063 33.820 63.405 1.00 23.49 O +ATOM 557 N LEU A 93 30.661 32.414 62.644 1.00 23.81 N +ATOM 558 CA LEU A 93 29.816 31.243 62.928 1.00 22.25 C +ATOM 559 C LEU A 93 29.573 31.082 64.428 1.00 23.12 C +ATOM 560 O LEU A 93 28.499 30.668 64.856 1.00 24.82 O +ATOM 561 CB LEU A 93 30.518 29.967 62.433 1.00 24.64 C +ATOM 562 CG LEU A 93 30.694 29.884 60.919 1.00 22.19 C +ATOM 563 CD1 LEU A 93 31.191 28.462 60.549 1.00 26.97 C +ATOM 564 CD2 LEU A 93 29.419 30.195 60.174 1.00 26.64 C +ATOM 565 N LYS A 94 30.531 31.466 65.243 1.00 21.18 N +ATOM 566 CA LYS A 94 30.365 31.371 66.696 1.00 21.64 C +ATOM 567 C LYS A 94 29.261 32.330 67.147 1.00 23.52 C +ATOM 568 O LYS A 94 28.738 32.162 68.269 1.00 24.26 O +ATOM 569 CB LYS A 94 31.645 31.712 67.440 1.00 27.21 C +ATOM 570 CG LYS A 94 32.624 30.541 67.495 1.00 32.58 C +ATOM 571 CD LYS A 94 33.947 30.998 68.098 1.00 36.17 C +ATOM 572 CE LYS A 94 34.871 29.791 68.290 1.00 42.38 C +ATOM 573 NZ LYS A 94 36.116 30.202 69.009 1.00 40.37 N +ATOM 574 N ALA A 95 28.942 33.329 66.349 1.00 21.86 N +ATOM 575 CA ALA A 95 27.910 34.284 66.694 1.00 23.27 C +ATOM 576 C ALA A 95 26.602 34.006 65.975 1.00 25.03 C +ATOM 577 O ALA A 95 25.644 34.770 66.172 1.00 24.90 O +ATOM 578 CB ALA A 95 28.340 35.712 66.311 1.00 22.29 C +ATOM 579 N ALA A 96 26.520 32.895 65.219 1.00 23.15 N +ATOM 580 CA ALA A 96 25.331 32.627 64.462 1.00 22.47 C +ATOM 581 C ALA A 96 24.134 32.094 65.178 1.00 24.55 C +ATOM 582 O ALA A 96 23.091 31.800 64.538 1.00 24.74 O +ATOM 583 CB ALA A 96 25.647 31.806 63.210 1.00 22.32 C +ATOM 584 N GLY A 97 24.174 31.887 66.498 1.00 24.38 N +ATOM 585 CA GLY A 97 22.944 31.415 67.152 1.00 26.16 C +ATOM 586 C GLY A 97 22.517 30.036 66.684 1.00 25.27 C +ATOM 587 O GLY A 97 23.339 29.142 66.447 1.00 26.01 O +ATOM 588 N ASP A 98 21.212 29.874 66.476 1.00 25.62 N +ATOM 589 CA ASP A 98 20.679 28.569 66.076 1.00 26.75 C +ATOM 590 C ASP A 98 20.509 28.462 64.564 1.00 28.19 C +ATOM 591 O ASP A 98 19.972 27.457 64.102 1.00 27.97 O +ATOM 592 CB AASP A 98 19.355 28.290 66.782 0.65 32.50 C +ATOM 593 CB BASP A 98 19.343 28.286 66.761 0.35 27.94 C +ATOM 594 CG AASP A 98 18.382 29.448 66.723 0.65 37.09 C +ATOM 595 CG BASP A 98 19.467 27.991 68.236 0.35 27.94 C +ATOM 596 OD1AASP A 98 18.528 30.353 65.867 0.65 42.60 O +ATOM 597 OD1BASP A 98 19.090 28.855 69.058 0.35 32.46 O +ATOM 598 OD2AASP A 98 17.440 29.473 67.548 0.65 41.23 O +ATOM 599 OD2BASP A 98 19.965 26.911 68.593 0.35 31.30 O +ATOM 600 N ALA A 99 21.034 29.464 63.842 1.00 24.61 N +ATOM 601 CA ALA A 99 20.951 29.441 62.396 1.00 26.67 C +ATOM 602 C ALA A 99 21.398 28.098 61.829 1.00 25.11 C +ATOM 603 O ALA A 99 22.565 27.712 61.922 1.00 26.53 O +ATOM 604 CB ALA A 99 21.818 30.552 61.792 1.00 26.58 C +ATOM 605 N GLN A 100 20.533 27.514 60.998 1.00 23.03 N +ATOM 606 CA GLN A 100 20.900 26.235 60.389 1.00 22.02 C +ATOM 607 C GLN A 100 21.682 26.435 59.087 1.00 22.91 C +ATOM 608 O GLN A 100 22.358 25.502 58.651 1.00 24.72 O +ATOM 609 CB GLN A 100 19.663 25.384 60.124 1.00 30.15 C +ATOM 610 CG GLN A 100 18.945 25.030 61.444 1.00 36.65 C +ATOM 611 CD GLN A 100 18.636 23.529 61.386 1.00 45.83 C +ATOM 612 OE1 GLN A 100 17.719 23.162 60.668 1.00 48.20 O +ATOM 613 NE2 GLN A 100 19.468 22.750 62.055 1.00 51.03 N +ATOM 614 N TRP A 101 21.489 27.581 58.460 1.00 21.97 N +ATOM 615 CA TRP A 101 22.175 27.897 57.187 1.00 23.51 C +ATOM 616 C TRP A 101 22.838 29.252 57.369 1.00 24.18 C +ATOM 617 O TRP A 101 22.304 30.129 58.073 1.00 23.01 O +ATOM 618 CB TRP A 101 21.158 27.947 56.040 1.00 20.73 C +ATOM 619 CG TRP A 101 20.854 26.583 55.491 1.00 22.81 C +ATOM 620 CD1 TRP A 101 20.007 25.655 56.036 1.00 28.93 C +ATOM 621 CD2 TRP A 101 21.342 26.022 54.276 1.00 23.23 C +ATOM 622 NE1 TRP A 101 19.985 24.518 55.254 1.00 26.48 N +ATOM 623 CE2 TRP A 101 20.790 24.728 54.156 1.00 29.75 C +ATOM 624 CE3 TRP A 101 22.211 26.468 53.274 1.00 25.68 C +ATOM 625 CZ2 TRP A 101 21.072 23.887 53.095 1.00 30.65 C +ATOM 626 CZ3 TRP A 101 22.516 25.609 52.229 1.00 27.13 C +ATOM 627 CH2 TRP A 101 21.928 24.344 52.123 1.00 26.54 C +ATOM 628 N VAL A 102 24.024 29.441 56.774 1.00 20.53 N +ATOM 629 CA VAL A 102 24.729 30.694 56.870 1.00 20.32 C +ATOM 630 C VAL A 102 25.075 31.249 55.471 1.00 21.61 C +ATOM 631 O VAL A 102 25.533 30.474 54.635 1.00 20.93 O +ATOM 632 CB VAL A 102 26.047 30.543 57.647 1.00 20.62 C +ATOM 633 CG1 VAL A 102 26.791 31.878 57.689 1.00 25.61 C +ATOM 634 CG2 VAL A 102 25.697 30.152 59.118 1.00 26.36 C +ATOM 635 N LEU A 103 24.928 32.531 55.328 1.00 21.39 N +ATOM 636 CA LEU A 103 25.267 33.260 54.093 1.00 24.76 C +ATOM 637 C LEU A 103 26.588 34.008 54.296 1.00 23.90 C +ATOM 638 O LEU A 103 26.556 34.991 55.060 1.00 28.06 O +ATOM 639 CB LEU A 103 24.183 34.307 53.877 1.00 26.90 C +ATOM 640 CG LEU A 103 23.128 34.380 52.864 1.00 34.74 C +ATOM 641 CD1 LEU A 103 22.588 35.827 52.721 1.00 29.16 C +ATOM 642 CD2 LEU A 103 23.472 33.849 51.476 1.00 24.33 C +ATOM 643 N VAL A 104 27.646 33.744 53.554 1.00 21.69 N +ATOM 644 CA VAL A 104 28.910 34.533 53.732 1.00 17.53 C +ATOM 645 C VAL A 104 29.063 35.451 52.530 1.00 19.38 C +ATOM 646 O VAL A 104 28.903 34.976 51.363 1.00 20.16 O +ATOM 647 CB VAL A 104 30.101 33.584 53.829 1.00 19.57 C +ATOM 648 CG1 VAL A 104 31.363 34.369 54.192 1.00 22.84 C +ATOM 649 CG2 VAL A 104 29.830 32.484 54.861 1.00 22.39 C +ATOM 650 N HIS A 105 29.254 36.743 52.758 1.00 20.50 N +ATOM 651 CA HIS A 105 29.300 37.697 51.627 1.00 20.91 C +ATOM 652 C HIS A 105 30.391 38.722 51.823 1.00 24.63 C +ATOM 653 O HIS A 105 30.677 39.200 52.918 1.00 24.22 O +ATOM 654 CB HIS A 105 27.902 38.374 51.545 1.00 21.40 C +ATOM 655 CG HIS A 105 27.780 39.398 50.469 1.00 23.75 C +ATOM 656 ND1 HIS A 105 27.881 39.063 49.123 1.00 20.51 N +ATOM 657 CD2 HIS A 105 27.592 40.740 50.520 1.00 21.81 C +ATOM 658 CE1 HIS A 105 27.758 40.150 48.392 1.00 26.10 C +ATOM 659 NE2 HIS A 105 27.559 41.175 49.198 1.00 24.91 N +ATOM 660 N ASP A 106 31.021 39.108 50.707 1.00 21.56 N +ATOM 661 CA ASP A 106 32.082 40.079 50.693 1.00 25.75 C +ATOM 662 C ASP A 106 31.574 41.474 51.123 1.00 23.88 C +ATOM 663 O ASP A 106 30.577 41.975 50.609 1.00 25.66 O +ATOM 664 CB ASP A 106 32.628 40.229 49.249 1.00 27.93 C +ATOM 665 CG ASP A 106 33.420 39.012 48.833 1.00 32.78 C +ATOM 666 OD1 ASP A 106 33.675 38.850 47.611 1.00 33.44 O +ATOM 667 OD2 ASP A 106 33.790 38.210 49.726 1.00 31.10 O +ATOM 668 N ALA A 107 32.397 42.112 51.928 1.00 26.43 N +ATOM 669 CA ALA A 107 32.075 43.469 52.402 1.00 28.12 C +ATOM 670 C ALA A 107 32.184 44.456 51.229 1.00 29.29 C +ATOM 671 O ALA A 107 31.581 45.517 51.281 1.00 26.71 O +ATOM 672 CB ALA A 107 33.088 43.885 53.454 1.00 27.91 C +ATOM 673 N ALA A 108 32.934 44.075 50.192 1.00 27.93 N +ATOM 674 CA ALA A 108 33.150 44.957 49.061 1.00 28.77 C +ATOM 675 C ALA A 108 32.347 44.624 47.833 1.00 29.53 C +ATOM 676 O ALA A 108 32.639 45.063 46.710 1.00 29.43 O +ATOM 677 CB ALA A 108 34.668 45.047 48.790 1.00 30.74 C +ATOM 678 N ARG A 109 31.174 43.999 48.039 1.00 26.43 N +ATOM 679 CA ARG A 109 30.267 43.699 46.910 1.00 24.83 C +ATOM 680 C ARG A 109 28.950 44.405 47.244 1.00 26.57 C +ATOM 681 O ARG A 109 28.085 43.790 47.840 1.00 28.75 O +ATOM 682 CB ARG A 109 30.035 42.201 46.779 1.00 24.52 C +ATOM 683 CG ARG A 109 31.190 41.436 46.104 1.00 27.71 C +ATOM 684 CD ARG A 109 30.771 39.949 45.866 1.00 29.48 C +ATOM 685 NE ARG A 109 31.982 39.269 45.309 1.00 28.24 N +ATOM 686 CZ ARG A 109 32.279 39.227 44.025 1.00 29.66 C +ATOM 687 NH1 ARG A 109 31.508 39.766 43.102 1.00 30.23 N +ATOM 688 NH2 ARG A 109 33.408 38.661 43.606 1.00 25.61 N +ATOM 689 N PRO A 110 28.793 45.660 46.816 1.00 25.98 N +ATOM 690 CA PRO A 110 27.603 46.433 47.085 1.00 27.72 C +ATOM 691 C PRO A 110 26.413 46.209 46.246 1.00 28.45 C +ATOM 692 O PRO A 110 25.293 46.665 46.552 1.00 29.75 O +ATOM 693 CB PRO A 110 28.138 47.899 46.870 1.00 26.65 C +ATOM 694 CG PRO A 110 29.068 47.705 45.689 1.00 26.24 C +ATOM 695 CD PRO A 110 29.799 46.392 46.015 1.00 25.99 C +ATOM 696 N CYS A 111 26.572 45.527 45.091 1.00 27.82 N +ATOM 697 CA CYS A 111 25.533 45.324 44.148 1.00 27.58 C +ATOM 698 C CYS A 111 25.051 43.874 44.139 1.00 31.74 C +ATOM 699 O CYS A 111 25.737 42.984 43.573 1.00 34.08 O +ATOM 700 CB CYS A 111 25.997 45.662 42.694 1.00 29.83 C +ATOM 701 SG ACYS A 111 26.887 47.227 42.551 0.65 32.01 S +ATOM 702 SG BCYS A 111 24.573 45.688 41.579 0.35 23.10 S +ATOM 703 N LEU A 112 23.994 43.614 44.835 1.00 30.59 N +ATOM 704 CA LEU A 112 23.414 42.264 44.909 1.00 29.51 C +ATOM 705 C LEU A 112 21.924 42.467 44.619 1.00 31.97 C +ATOM 706 O LEU A 112 21.368 43.364 45.302 1.00 33.47 O +ATOM 707 CB LEU A 112 23.602 41.731 46.336 1.00 26.53 C +ATOM 708 CG LEU A 112 23.314 40.298 46.652 1.00 31.65 C +ATOM 709 CD1 LEU A 112 23.534 39.968 48.137 1.00 23.57 C +ATOM 710 CD2 LEU A 112 21.923 39.852 46.250 1.00 38.95 C +ATOM 711 N HIS A 113 21.338 41.729 43.720 1.00 30.78 N +ATOM 712 CA HIS A 113 19.895 41.867 43.453 1.00 33.82 C +ATOM 713 C HIS A 113 19.109 40.861 44.291 1.00 33.33 C +ATOM 714 O HIS A 113 19.556 39.727 44.492 1.00 31.84 O +ATOM 715 CB HIS A 113 19.596 41.609 41.994 1.00 35.99 C +ATOM 716 CG HIS A 113 20.083 42.615 41.014 1.00 40.10 C +ATOM 717 ND1 HIS A 113 19.233 43.120 40.030 1.00 43.33 N +ATOM 718 CD2 HIS A 113 21.283 43.181 40.806 1.00 41.86 C +ATOM 719 CE1 HIS A 113 19.915 43.953 39.267 1.00 44.18 C +ATOM 720 NE2 HIS A 113 21.152 44.026 39.722 1.00 44.23 N +ATOM 721 N GLN A 114 17.894 41.231 44.716 1.00 30.19 N +ATOM 722 CA GLN A 114 17.112 40.324 45.529 1.00 32.53 C +ATOM 723 C GLN A 114 16.710 39.060 44.837 1.00 29.96 C +ATOM 724 O GLN A 114 16.685 38.006 45.470 1.00 31.61 O +ATOM 725 CB GLN A 114 15.879 41.041 46.134 1.00 33.68 C +ATOM 726 CG GLN A 114 16.293 42.162 47.078 1.00 38.68 C +ATOM 727 CD GLN A 114 17.195 41.647 48.195 1.00 35.56 C +ATOM 728 OE1 GLN A 114 16.765 40.769 48.941 1.00 39.49 O +ATOM 729 NE2 GLN A 114 18.398 42.208 48.300 1.00 31.94 N +ATOM 730 N ASP A 115 16.413 39.086 43.530 1.00 30.78 N +ATOM 731 CA ASP A 115 16.042 37.867 42.852 1.00 29.91 C +ATOM 732 C ASP A 115 17.220 36.869 42.842 1.00 27.64 C +ATOM 733 O ASP A 115 16.958 35.693 43.047 1.00 28.56 O +ATOM 734 CB ASP A 115 15.473 38.070 41.470 1.00 33.76 C +ATOM 735 CG ASP A 115 16.394 38.817 40.536 1.00 38.18 C +ATOM 736 OD1 ASP A 115 17.495 39.240 40.963 1.00 35.10 O +ATOM 737 OD2 ASP A 115 15.989 38.996 39.358 1.00 43.48 O +ATOM 738 N ASP A 116 18.441 37.341 42.656 1.00 28.88 N +ATOM 739 CA ASP A 116 19.588 36.406 42.689 1.00 30.41 C +ATOM 740 C ASP A 116 19.772 35.919 44.126 1.00 30.06 C +ATOM 741 O ASP A 116 19.991 34.733 44.382 1.00 29.87 O +ATOM 742 CB ASP A 116 20.849 37.074 42.180 1.00 28.03 C +ATOM 743 CG ASP A 116 20.815 37.378 40.683 1.00 29.03 C +ATOM 744 OD1 ASP A 116 20.128 36.674 39.943 1.00 30.96 O +ATOM 745 OD2 ASP A 116 21.502 38.329 40.274 1.00 33.03 O +ATOM 746 N LEU A 117 19.665 36.834 45.106 1.00 28.54 N +ATOM 747 CA LEU A 117 19.789 36.339 46.503 1.00 29.01 C +ATOM 748 C LEU A 117 18.721 35.301 46.799 1.00 29.27 C +ATOM 749 O LEU A 117 18.994 34.238 47.375 1.00 28.99 O +ATOM 750 CB LEU A 117 19.717 37.532 47.472 1.00 28.95 C +ATOM 751 CG LEU A 117 19.721 37.218 48.954 1.00 28.48 C +ATOM 752 CD1 LEU A 117 20.977 36.382 49.328 1.00 29.57 C +ATOM 753 CD2 LEU A 117 19.749 38.500 49.803 1.00 26.56 C +ATOM 754 N ALA A 118 17.452 35.533 46.390 1.00 29.10 N +ATOM 755 CA ALA A 118 16.377 34.602 46.650 1.00 29.20 C +ATOM 756 C ALA A 118 16.654 33.233 46.030 1.00 30.33 C +ATOM 757 O ALA A 118 16.377 32.197 46.649 1.00 28.31 O +ATOM 758 CB ALA A 118 15.028 35.121 46.138 1.00 31.74 C +ATOM 759 N ARG A 119 17.181 33.243 44.801 1.00 28.44 N +ATOM 760 CA ARG A 119 17.499 31.995 44.130 1.00 27.14 C +ATOM 761 C ARG A 119 18.578 31.209 44.856 1.00 26.66 C +ATOM 762 O ARG A 119 18.496 29.989 44.956 1.00 25.38 O +ATOM 763 CB ARG A 119 17.839 32.244 42.645 1.00 28.29 C +ATOM 764 CG ARG A 119 16.634 31.877 41.797 1.00 37.93 C +ATOM 765 CD ARG A 119 16.467 32.597 40.497 1.00 42.52 C +ATOM 766 NE ARG A 119 17.513 33.495 40.130 1.00 40.25 N +ATOM 767 CZ ARG A 119 18.727 33.288 39.704 1.00 39.82 C +ATOM 768 NH1 ARG A 119 19.523 34.338 39.462 1.00 34.87 N +ATOM 769 NH2 ARG A 119 19.170 32.049 39.505 1.00 44.87 N +ATOM 770 N LEU A 120 19.565 31.875 45.408 1.00 24.78 N +ATOM 771 CA LEU A 120 20.610 31.195 46.188 1.00 23.39 C +ATOM 772 C LEU A 120 20.024 30.615 47.458 1.00 24.51 C +ATOM 773 O LEU A 120 20.234 29.443 47.820 1.00 21.71 O +ATOM 774 CB LEU A 120 21.718 32.192 46.504 1.00 23.34 C +ATOM 775 CG LEU A 120 22.864 31.627 47.389 1.00 22.41 C +ATOM 776 CD1 LEU A 120 23.628 30.572 46.581 1.00 24.74 C +ATOM 777 CD2 LEU A 120 23.785 32.726 47.841 1.00 23.09 C +ATOM 778 N LEU A 121 19.198 31.430 48.149 1.00 23.28 N +ATOM 779 CA LEU A 121 18.603 30.977 49.399 1.00 24.52 C +ATOM 780 C LEU A 121 17.707 29.767 49.226 1.00 26.29 C +ATOM 781 O LEU A 121 17.547 28.938 50.132 1.00 24.53 O +ATOM 782 CB LEU A 121 17.846 32.131 50.054 1.00 24.56 C +ATOM 783 CG LEU A 121 18.695 33.277 50.598 1.00 26.78 C +ATOM 784 CD1 LEU A 121 17.762 34.357 51.167 1.00 26.72 C +ATOM 785 CD2 LEU A 121 19.651 32.813 51.685 1.00 28.52 C +ATOM 786 N ALA A 122 17.128 29.608 48.044 1.00 25.12 N +ATOM 787 CA ALA A 122 16.278 28.469 47.727 1.00 27.69 C +ATOM 788 C ALA A 122 17.000 27.138 47.831 1.00 27.63 C +ATOM 789 O ALA A 122 16.393 26.094 48.097 1.00 29.99 O +ATOM 790 CB ALA A 122 15.701 28.651 46.317 1.00 25.47 C +ATOM 791 N LEU A 123 18.352 27.137 47.808 1.00 26.83 N +ATOM 792 CA LEU A 123 19.105 25.921 47.938 1.00 24.45 C +ATOM 793 C LEU A 123 18.837 25.155 49.219 1.00 25.50 C +ATOM 794 O LEU A 123 19.110 23.957 49.249 1.00 23.84 O +ATOM 795 CB LEU A 123 20.632 26.139 47.842 1.00 25.42 C +ATOM 796 CG LEU A 123 21.117 26.554 46.438 1.00 26.30 C +ATOM 797 CD1 LEU A 123 22.646 26.697 46.433 1.00 25.65 C +ATOM 798 CD2 LEU A 123 20.676 25.533 45.397 1.00 33.97 C +ATOM 799 N SER A 124 18.421 25.820 50.294 1.00 25.92 N +ATOM 800 CA SER A 124 18.215 25.160 51.559 1.00 28.40 C +ATOM 801 C SER A 124 17.098 24.132 51.511 1.00 30.18 C +ATOM 802 O SER A 124 17.097 23.202 52.326 1.00 29.68 O +ATOM 803 CB SER A 124 18.054 26.111 52.735 1.00 30.67 C +ATOM 804 OG SER A 124 16.939 26.950 52.644 1.00 31.44 O +ATOM 805 N GLU A 125 16.222 24.274 50.537 1.00 30.94 N +ATOM 806 CA GLU A 125 15.099 23.417 50.295 1.00 33.92 C +ATOM 807 C GLU A 125 15.477 22.147 49.561 1.00 34.04 C +ATOM 808 O GLU A 125 14.806 21.129 49.730 1.00 31.39 O +ATOM 809 CB GLU A 125 14.025 24.138 49.435 1.00 36.96 C +ATOM 810 CG GLU A 125 13.503 25.428 50.045 1.00 45.60 C +ATOM 811 CD GLU A 125 13.258 25.339 51.536 1.00 51.79 C +ATOM 812 OE1 GLU A 125 12.361 24.569 51.946 1.00 56.78 O +ATOM 813 OE2 GLU A 125 13.979 26.005 52.315 1.00 54.15 O +ATOM 814 N THR A 126 16.586 22.174 48.810 1.00 32.50 N +ATOM 815 CA THR A 126 16.970 21.025 48.023 1.00 32.59 C +ATOM 816 C THR A 126 18.394 20.537 48.191 1.00 32.30 C +ATOM 817 O THR A 126 18.711 19.493 47.580 1.00 33.17 O +ATOM 818 CB THR A 126 16.896 21.424 46.492 1.00 35.78 C +ATOM 819 OG1 THR A 126 17.738 22.585 46.329 1.00 35.64 O +ATOM 820 CG2 THR A 126 15.487 21.762 46.073 1.00 39.86 C +ATOM 821 N SER A 127 19.285 21.267 48.827 1.00 29.05 N +ATOM 822 CA SER A 127 20.687 20.844 48.872 1.00 27.94 C +ATOM 823 C SER A 127 21.194 20.480 50.234 1.00 28.29 C +ATOM 824 O SER A 127 20.795 21.057 51.264 1.00 27.46 O +ATOM 825 CB SER A 127 21.549 22.066 48.386 1.00 27.13 C +ATOM 826 OG SER A 127 22.921 21.709 48.398 1.00 28.15 O +ATOM 827 N ARG A 128 22.171 19.556 50.260 1.00 26.49 N +ATOM 828 CA ARG A 128 22.796 19.241 51.545 1.00 28.37 C +ATOM 829 C ARG A 128 24.167 19.930 51.621 1.00 27.58 C +ATOM 830 O ARG A 128 24.846 19.771 52.619 1.00 27.35 O +ATOM 831 CB ARG A 128 23.035 17.746 51.721 1.00 30.68 C +ATOM 832 CG ARG A 128 21.817 16.921 52.048 1.00 33.73 C +ATOM 833 CD ARG A 128 22.299 15.524 52.520 1.00 39.64 C +ATOM 834 NE ARG A 128 21.171 14.689 52.911 1.00 44.15 N +ATOM 835 CZ ARG A 128 20.438 14.841 54.005 1.00 41.01 C +ATOM 836 NH1 ARG A 128 19.434 13.994 54.237 1.00 38.78 N +ATOM 837 NH2 ARG A 128 20.707 15.798 54.875 1.00 41.14 N +ATOM 838 N THR A 129 24.602 20.507 50.482 1.00 25.41 N +ATOM 839 CA THR A 129 25.939 21.117 50.466 1.00 23.74 C +ATOM 840 C THR A 129 25.905 22.626 50.396 1.00 23.59 C +ATOM 841 O THR A 129 26.863 23.282 50.867 1.00 25.67 O +ATOM 842 CB THR A 129 26.692 20.559 49.207 1.00 28.80 C +ATOM 843 OG1 THR A 129 26.695 19.124 49.306 1.00 31.86 O +ATOM 844 CG2 THR A 129 28.142 21.004 49.176 1.00 29.22 C +ATOM 845 N GLY A 130 24.916 23.230 49.785 1.00 21.39 N +ATOM 846 CA GLY A 130 24.887 24.689 49.646 1.00 18.52 C +ATOM 847 C GLY A 130 25.428 25.013 48.228 1.00 21.30 C +ATOM 848 O GLY A 130 25.461 24.148 47.357 1.00 19.71 O +ATOM 849 N GLY A 131 25.791 26.281 48.054 1.00 19.37 N +ATOM 850 CA GLY A 131 26.232 26.748 46.744 1.00 20.41 C +ATOM 851 C GLY A 131 26.584 28.240 46.792 1.00 20.20 C +ATOM 852 O GLY A 131 26.577 28.889 47.847 1.00 19.39 O +ATOM 853 N ILE A 132 27.003 28.742 45.628 1.00 18.89 N +ATOM 854 CA ILE A 132 27.427 30.114 45.465 1.00 18.62 C +ATOM 855 C ILE A 132 26.801 30.764 44.222 1.00 19.94 C +ATOM 856 O ILE A 132 26.436 30.058 43.288 1.00 19.68 O +ATOM 857 CB ILE A 132 28.976 30.207 45.297 1.00 21.01 C +ATOM 858 CG1 ILE A 132 29.414 29.684 43.912 1.00 19.81 C +ATOM 859 CG2 ILE A 132 29.686 29.419 46.404 1.00 19.03 C +ATOM 860 CD1 ILE A 132 30.891 30.049 43.642 1.00 18.82 C +ATOM 861 N LEU A 133 26.666 32.091 44.298 1.00 19.39 N +ATOM 862 CA LEU A 133 26.281 32.855 43.085 1.00 18.50 C +ATOM 863 C LEU A 133 27.534 32.839 42.166 1.00 20.36 C +ATOM 864 O LEU A 133 28.657 32.811 42.634 1.00 18.49 O +ATOM 865 CB LEU A 133 25.941 34.276 43.491 1.00 21.81 C +ATOM 866 CG LEU A 133 24.546 34.795 43.456 1.00 26.85 C +ATOM 867 CD1 LEU A 133 23.428 33.793 43.307 1.00 24.94 C +ATOM 868 CD2 LEU A 133 24.240 35.919 44.398 1.00 25.95 C +ATOM 869 N ALA A 134 27.308 32.722 40.870 1.00 20.33 N +ATOM 870 CA ALA A 134 28.437 32.674 39.913 1.00 21.69 C +ATOM 871 C ALA A 134 27.956 33.180 38.547 1.00 21.97 C +ATOM 872 O ALA A 134 26.761 33.171 38.289 1.00 20.99 O +ATOM 873 CB ALA A 134 28.867 31.212 39.756 1.00 22.49 C +ATOM 874 N ALA A 135 28.916 33.562 37.692 1.00 21.15 N +ATOM 875 CA ALA A 135 28.490 34.026 36.341 1.00 20.64 C +ATOM 876 C ALA A 135 29.364 33.271 35.345 1.00 24.90 C +ATOM 877 O ALA A 135 30.570 33.107 35.550 1.00 22.53 O +ATOM 878 CB ALA A 135 28.760 35.534 36.247 1.00 20.62 C +ATOM 879 N PRO A 136 28.778 32.733 34.297 1.00 27.06 N +ATOM 880 CA PRO A 136 29.539 31.970 33.315 1.00 27.60 C +ATOM 881 C PRO A 136 30.588 32.797 32.600 1.00 26.27 C +ATOM 882 O PRO A 136 30.468 33.986 32.381 1.00 25.21 O +ATOM 883 CB PRO A 136 28.488 31.481 32.309 1.00 30.30 C +ATOM 884 CG PRO A 136 27.184 31.614 33.034 1.00 32.33 C +ATOM 885 CD PRO A 136 27.345 32.863 33.920 1.00 29.88 C +ATOM 886 N VAL A 137 31.683 32.109 32.209 1.00 24.53 N +ATOM 887 CA VAL A 137 32.768 32.720 31.487 1.00 25.24 C +ATOM 888 C VAL A 137 32.412 32.631 29.981 1.00 27.88 C +ATOM 889 O VAL A 137 32.103 31.531 29.528 1.00 27.57 O +ATOM 890 CB VAL A 137 34.125 32.039 31.680 1.00 26.43 C +ATOM 891 CG1 VAL A 137 35.168 32.602 30.705 1.00 22.95 C +ATOM 892 CG2 VAL A 137 34.632 32.258 33.118 1.00 22.49 C +ATOM 893 N ARG A 138 32.425 33.785 29.345 1.00 27.88 N +ATOM 894 CA ARG A 138 32.051 33.797 27.914 1.00 28.77 C +ATOM 895 C ARG A 138 33.188 34.018 26.978 1.00 27.78 C +ATOM 896 O ARG A 138 33.048 33.736 25.763 1.00 28.48 O +ATOM 897 CB ARG A 138 30.893 34.793 27.709 1.00 37.49 C +ATOM 898 CG ARG A 138 29.626 34.181 28.327 1.00 45.57 C +ATOM 899 CD ARG A 138 28.459 35.141 28.412 1.00 54.68 C +ATOM 900 NE ARG A 138 27.393 34.563 29.220 1.00 61.56 N +ATOM 901 CZ ARG A 138 26.218 35.058 29.512 1.00 66.57 C +ATOM 902 NH1 ARG A 138 25.835 36.249 29.054 1.00 70.60 N +ATOM 903 NH2 ARG A 138 25.382 34.372 30.301 1.00 67.47 N +ATOM 904 N ASP A 139 34.281 34.579 27.419 1.00 25.49 N +ATOM 905 CA ASP A 139 35.444 34.759 26.560 1.00 24.82 C +ATOM 906 C ASP A 139 36.198 33.444 26.364 1.00 26.26 C +ATOM 907 O ASP A 139 36.140 32.506 27.156 1.00 23.27 O +ATOM 908 CB ASP A 139 36.425 35.720 27.293 1.00 22.27 C +ATOM 909 CG ASP A 139 35.922 37.163 27.266 1.00 22.20 C +ATOM 910 OD1 ASP A 139 36.346 37.942 28.109 1.00 23.65 O +ATOM 911 OD2 ASP A 139 35.116 37.531 26.373 1.00 23.33 O +ATOM 912 N THR A 140 36.912 33.373 25.226 1.00 21.46 N +ATOM 913 CA THR A 140 37.843 32.236 25.061 1.00 21.10 C +ATOM 914 C THR A 140 39.002 32.580 26.022 1.00 20.66 C +ATOM 915 O THR A 140 39.253 33.785 26.209 1.00 20.34 O +ATOM 916 CB THR A 140 38.368 32.276 23.586 1.00 24.12 C +ATOM 917 OG1 THR A 140 37.242 31.882 22.773 1.00 21.86 O +ATOM 918 CG2 THR A 140 39.544 31.371 23.389 1.00 22.80 C +ATOM 919 N MET A 141 39.495 31.605 26.757 1.00 19.23 N +ATOM 920 CA MET A 141 40.533 31.798 27.752 1.00 22.51 C +ATOM 921 C MET A 141 41.867 31.210 27.332 1.00 20.47 C +ATOM 922 O MET A 141 41.942 30.213 26.620 1.00 21.87 O +ATOM 923 CB MET A 141 40.098 31.151 29.088 1.00 21.40 C +ATOM 924 CG MET A 141 38.781 31.719 29.631 1.00 23.93 C +ATOM 925 SD MET A 141 38.742 33.451 29.981 1.00 21.38 S +ATOM 926 CE MET A 141 39.811 33.581 31.425 1.00 24.50 C +ATOM 927 N LYS A 142 42.949 31.861 27.768 1.00 22.00 N +ATOM 928 CA LYS A 142 44.277 31.399 27.422 1.00 21.45 C +ATOM 929 C LYS A 142 45.167 31.222 28.674 1.00 23.39 C +ATOM 930 O LYS A 142 45.098 32.026 29.598 1.00 21.82 O +ATOM 931 CB LYS A 142 44.990 32.463 26.556 1.00 19.95 C +ATOM 932 CG LYS A 142 44.218 32.810 25.291 1.00 19.42 C +ATOM 933 CD LYS A 142 44.021 31.672 24.312 1.00 20.14 C +ATOM 934 CE LYS A 142 43.264 32.251 23.056 1.00 21.36 C +ATOM 935 NZ LYS A 142 43.156 31.184 21.998 1.00 17.56 N +ATOM 936 N ARG A 143 45.998 30.197 28.623 1.00 22.17 N +ATOM 937 CA ARG A 143 47.017 30.015 29.678 1.00 24.92 C +ATOM 938 C ARG A 143 48.366 30.464 29.082 1.00 23.36 C +ATOM 939 O ARG A 143 48.749 29.997 27.995 1.00 27.00 O +ATOM 940 CB ARG A 143 47.134 28.543 30.067 1.00 25.63 C +ATOM 941 CG ARG A 143 48.245 28.323 31.119 1.00 27.95 C +ATOM 942 CD ARG A 143 47.725 28.707 32.491 1.00 28.05 C +ATOM 943 NE ARG A 143 46.539 27.868 32.873 1.00 26.06 N +ATOM 944 CZ ARG A 143 45.845 28.195 33.969 1.00 23.76 C +ATOM 945 NH1 ARG A 143 44.773 27.477 34.320 1.00 26.65 N +ATOM 946 NH2 ARG A 143 46.188 29.217 34.744 1.00 25.60 N +ATOM 947 N ALA A 144 49.068 31.363 29.742 1.00 26.56 N +ATOM 948 CA ALA A 144 50.337 31.864 29.248 1.00 25.84 C +ATOM 949 C ALA A 144 51.485 30.888 29.494 1.00 30.25 C +ATOM 950 O ALA A 144 51.366 30.016 30.371 1.00 28.19 O +ATOM 951 CB ALA A 144 50.668 33.175 29.981 1.00 30.90 C +ATOM 952 N GLU A 145 52.544 31.054 28.710 1.00 29.48 N +ATOM 953 CA GLU A 145 53.747 30.201 28.989 1.00 33.43 C +ATOM 954 C GLU A 145 54.334 30.788 30.269 1.00 31.27 C +ATOM 955 O GLU A 145 54.262 31.972 30.518 1.00 31.45 O +ATOM 956 CB GLU A 145 54.708 30.339 27.814 1.00 36.65 C +ATOM 957 CG GLU A 145 54.223 29.748 26.504 1.00 39.47 C +ATOM 958 CD GLU A 145 55.145 29.969 25.321 1.00 44.00 C +ATOM 959 OE1 GLU A 145 55.943 30.935 25.293 1.00 44.70 O +ATOM 960 OE2 GLU A 145 55.066 29.191 24.338 1.00 44.41 O +ATOM 961 N PRO A 146 54.865 29.956 31.168 1.00 35.07 N +ATOM 962 CA PRO A 146 55.415 30.430 32.419 1.00 34.62 C +ATOM 963 C PRO A 146 56.447 31.528 32.244 1.00 35.24 C +ATOM 964 O PRO A 146 57.401 31.339 31.470 1.00 38.18 O +ATOM 965 CB PRO A 146 56.068 29.168 33.000 1.00 36.64 C +ATOM 966 CG PRO A 146 55.307 28.034 32.417 1.00 35.31 C +ATOM 967 CD PRO A 146 54.896 28.486 31.027 1.00 34.29 C +ATOM 968 N GLY A 147 56.245 32.683 32.838 1.00 35.97 N +ATOM 969 CA GLY A 147 57.093 33.838 32.799 1.00 37.58 C +ATOM 970 C GLY A 147 57.186 34.568 31.477 1.00 40.32 C +ATOM 971 O GLY A 147 58.050 35.445 31.266 1.00 38.99 O +ATOM 972 N LYS A 148 56.292 34.249 30.528 1.00 38.91 N +ATOM 973 CA LYS A 148 56.347 34.926 29.225 1.00 39.57 C +ATOM 974 C LYS A 148 54.970 35.466 28.856 1.00 38.40 C +ATOM 975 O LYS A 148 53.947 35.040 29.412 1.00 37.50 O +ATOM 976 CB LYS A 148 56.895 33.986 28.165 1.00 40.43 C +ATOM 977 CG LYS A 148 58.176 33.247 28.462 1.00 43.24 C +ATOM 978 N ASN A 149 54.919 36.469 27.977 1.00 38.06 N +ATOM 979 CA ASN A 149 53.579 37.015 27.623 1.00 39.70 C +ATOM 980 C ASN A 149 53.184 36.459 26.254 1.00 38.09 C +ATOM 981 O ASN A 149 52.998 37.188 25.269 1.00 40.18 O +ATOM 982 CB ASN A 149 53.523 38.505 27.714 1.00 44.62 C +ATOM 983 CG ASN A 149 53.498 39.074 29.116 1.00 47.45 C +ATOM 984 OD1 ASN A 149 52.864 38.554 30.041 1.00 47.21 O +ATOM 985 ND2 ASN A 149 54.185 40.200 29.304 1.00 51.25 N +ATOM 986 N ALA A 150 53.163 35.157 26.186 1.00 34.06 N +ATOM 987 CA ALA A 150 52.835 34.363 25.035 1.00 32.19 C +ATOM 988 C ALA A 150 51.912 33.218 25.441 1.00 31.49 C +ATOM 989 O ALA A 150 51.907 32.686 26.557 1.00 28.59 O +ATOM 990 CB ALA A 150 54.060 33.872 24.317 1.00 36.06 C +ATOM 991 N ILE A 151 50.999 32.908 24.504 1.00 25.44 N +ATOM 992 CA ILE A 151 50.041 31.868 24.760 1.00 24.99 C +ATOM 993 C ILE A 151 50.625 30.482 24.730 1.00 26.39 C +ATOM 994 O ILE A 151 51.228 30.057 23.735 1.00 28.00 O +ATOM 995 CB ILE A 151 48.906 31.916 23.687 1.00 20.73 C +ATOM 996 CG1 ILE A 151 48.114 33.229 23.930 1.00 22.49 C +ATOM 997 CG2 ILE A 151 48.017 30.717 23.811 1.00 21.66 C +ATOM 998 CD1 ILE A 151 47.246 33.505 22.661 1.00 24.78 C +ATOM 999 N ALA A 152 50.411 29.741 25.818 1.00 25.33 N +ATOM 1000 CA ALA A 152 50.873 28.355 25.852 1.00 26.26 C +ATOM 1001 C ALA A 152 49.772 27.535 25.190 1.00 26.72 C +ATOM 1002 O ALA A 152 50.013 26.832 24.206 1.00 26.66 O +ATOM 1003 CB ALA A 152 51.154 27.913 27.289 1.00 28.97 C +ATOM 1004 N HIS A 153 48.515 27.742 25.608 1.00 26.66 N +ATOM 1005 CA HIS A 153 47.411 27.007 25.002 1.00 26.99 C +ATOM 1006 C HIS A 153 46.076 27.623 25.443 1.00 24.54 C +ATOM 1007 O HIS A 153 46.050 28.444 26.360 1.00 26.48 O +ATOM 1008 CB HIS A 153 47.385 25.524 25.345 1.00 29.55 C +ATOM 1009 CG HIS A 153 47.349 25.241 26.819 1.00 33.02 C +ATOM 1010 ND1 HIS A 153 46.189 25.292 27.560 1.00 36.74 N +ATOM 1011 CD2 HIS A 153 48.357 24.990 27.691 1.00 33.94 C +ATOM 1012 CE1 HIS A 153 46.482 25.087 28.837 1.00 35.97 C +ATOM 1013 NE2 HIS A 153 47.780 24.900 28.949 1.00 33.64 N +ATOM 1014 N THR A 154 45.009 27.159 24.791 1.00 24.47 N +ATOM 1015 CA THR A 154 43.673 27.666 25.195 1.00 23.21 C +ATOM 1016 C THR A 154 43.123 26.832 26.352 1.00 26.93 C +ATOM 1017 O THR A 154 43.408 25.644 26.472 1.00 28.70 O +ATOM 1018 CB THR A 154 42.721 27.561 23.993 1.00 23.87 C +ATOM 1019 OG1 THR A 154 43.147 28.522 23.033 1.00 24.73 O +ATOM 1020 CG2 THR A 154 41.277 27.831 24.397 1.00 23.45 C +ATOM 1021 N VAL A 155 42.431 27.506 27.267 1.00 27.33 N +ATOM 1022 CA VAL A 155 41.765 26.870 28.402 1.00 27.70 C +ATOM 1023 C VAL A 155 40.281 26.818 28.058 1.00 28.33 C +ATOM 1024 O VAL A 155 39.684 27.874 27.830 1.00 26.11 O +ATOM 1025 CB VAL A 155 41.940 27.672 29.711 1.00 29.07 C +ATOM 1026 CG1 VAL A 155 41.082 27.101 30.854 1.00 27.87 C +ATOM 1027 CG2 VAL A 155 43.401 27.666 30.138 1.00 29.61 C +ATOM 1028 N ASP A 156 39.731 25.610 27.982 1.00 28.86 N +ATOM 1029 CA ASP A 156 38.319 25.468 27.636 1.00 30.37 C +ATOM 1030 C ASP A 156 37.420 26.225 28.594 1.00 28.77 C +ATOM 1031 O ASP A 156 37.438 26.044 29.812 1.00 25.53 O +ATOM 1032 CB ASP A 156 37.950 23.983 27.545 1.00 35.43 C +ATOM 1033 CG ASP A 156 36.567 23.702 27.009 1.00 40.42 C +ATOM 1034 OD1 ASP A 156 36.153 22.510 27.029 1.00 48.04 O +ATOM 1035 OD2 ASP A 156 35.847 24.608 26.544 1.00 38.19 O +ATOM 1036 N ARG A 157 36.544 27.064 28.021 1.00 29.17 N +ATOM 1037 CA ARG A 157 35.631 27.878 28.816 1.00 28.90 C +ATOM 1038 C ARG A 157 34.337 27.190 29.120 1.00 29.68 C +ATOM 1039 O ARG A 157 33.491 27.705 29.859 1.00 26.38 O +ATOM 1040 CB ARG A 157 35.342 29.211 28.099 1.00 32.12 C +ATOM 1041 CG ARG A 157 34.598 29.034 26.772 1.00 34.65 C +ATOM 1042 CD ARG A 157 33.974 30.373 26.343 1.00 38.58 C +ATOM 1043 NE ARG A 157 32.779 30.192 25.576 1.00 51.20 N +ATOM 1044 CZ ARG A 157 32.261 30.900 24.597 1.00 57.79 C +ATOM 1045 NH1 ARG A 157 31.114 30.509 24.027 1.00 60.18 N +ATOM 1046 NH2 ARG A 157 32.847 31.996 24.128 1.00 62.00 N +ATOM 1047 N ASN A 158 34.092 26.037 28.433 1.00 28.84 N +ATOM 1048 CA ASN A 158 32.775 25.413 28.776 1.00 30.79 C +ATOM 1049 C ASN A 158 32.836 24.941 30.211 1.00 27.78 C +ATOM 1050 O ASN A 158 33.787 24.248 30.594 1.00 26.70 O +ATOM 1051 CB ASN A 158 32.518 24.234 27.833 1.00 36.75 C +ATOM 1052 CG ASN A 158 31.066 24.243 27.371 1.00 47.64 C +ATOM 1053 OD1 ASN A 158 30.195 23.650 28.001 1.00 48.01 O +ATOM 1054 ND2 ASN A 158 30.819 24.982 26.283 1.00 50.14 N +ATOM 1055 N GLY A 159 31.804 25.182 31.006 1.00 25.90 N +ATOM 1056 CA GLY A 159 31.839 24.732 32.417 1.00 23.80 C +ATOM 1057 C GLY A 159 32.721 25.652 33.275 1.00 24.73 C +ATOM 1058 O GLY A 159 32.965 25.311 34.455 1.00 24.38 O +ATOM 1059 N LEU A 160 33.199 26.753 32.781 1.00 22.54 N +ATOM 1060 CA LEU A 160 34.056 27.698 33.524 1.00 23.76 C +ATOM 1061 C LEU A 160 33.226 28.872 34.014 1.00 23.50 C +ATOM 1062 O LEU A 160 32.424 29.462 33.283 1.00 21.72 O +ATOM 1063 CB LEU A 160 35.198 28.144 32.600 1.00 27.65 C +ATOM 1064 CG LEU A 160 36.353 28.883 33.270 1.00 27.66 C +ATOM 1065 CD1 LEU A 160 37.087 27.951 34.247 1.00 25.84 C +ATOM 1066 CD2 LEU A 160 37.325 29.450 32.271 1.00 25.98 C +ATOM 1067 N TRP A 161 33.296 29.176 35.319 1.00 23.09 N +ATOM 1068 CA TRP A 161 32.506 30.216 35.920 1.00 22.21 C +ATOM 1069 C TRP A 161 33.283 31.191 36.813 1.00 21.58 C +ATOM 1070 O TRP A 161 34.273 30.833 37.442 1.00 19.90 O +ATOM 1071 CB TRP A 161 31.502 29.517 36.897 1.00 24.01 C +ATOM 1072 CG TRP A 161 30.455 28.675 36.269 1.00 25.26 C +ATOM 1073 CD1 TRP A 161 30.584 27.412 35.743 1.00 20.80 C +ATOM 1074 CD2 TRP A 161 29.068 29.015 36.138 1.00 25.80 C +ATOM 1075 NE1 TRP A 161 29.362 26.948 35.315 1.00 23.28 N +ATOM 1076 CE2 TRP A 161 28.431 27.938 35.507 1.00 28.20 C +ATOM 1077 CE3 TRP A 161 28.319 30.149 36.472 1.00 27.66 C +ATOM 1078 CZ2 TRP A 161 27.055 27.928 35.247 1.00 32.46 C +ATOM 1079 CZ3 TRP A 161 26.957 30.148 36.205 1.00 31.83 C +ATOM 1080 CH2 TRP A 161 26.348 29.047 35.585 1.00 34.24 C +ATOM 1081 N HIS A 162 32.847 32.449 36.804 1.00 21.88 N +ATOM 1082 CA HIS A 162 33.394 33.463 37.715 1.00 20.13 C +ATOM 1083 C HIS A 162 32.696 33.240 39.093 1.00 23.65 C +ATOM 1084 O HIS A 162 31.471 33.246 39.126 1.00 23.10 O +ATOM 1085 CB HIS A 162 32.968 34.851 37.262 1.00 23.33 C +ATOM 1086 CG HIS A 162 33.498 35.293 35.918 1.00 24.75 C +ATOM 1087 ND1 HIS A 162 34.692 35.977 35.799 1.00 23.55 N +ATOM 1088 CD2 HIS A 162 32.941 35.240 34.691 1.00 26.08 C +ATOM 1089 CE1 HIS A 162 34.864 36.287 34.512 1.00 25.74 C +ATOM 1090 NE2 HIS A 162 33.837 35.823 33.810 1.00 26.11 N +ATOM 1091 N ALA A 163 33.462 33.054 40.161 1.00 19.99 N +ATOM 1092 CA ALA A 163 32.832 32.869 41.465 1.00 21.96 C +ATOM 1093 C ALA A 163 32.409 34.221 42.035 1.00 20.96 C +ATOM 1094 O ALA A 163 33.150 35.187 41.891 1.00 23.61 O +ATOM 1095 CB ALA A 163 33.799 32.193 42.445 1.00 19.55 C +ATOM 1096 N LEU A 164 31.215 34.256 42.604 1.00 21.06 N +ATOM 1097 CA LEU A 164 30.753 35.528 43.226 1.00 20.17 C +ATOM 1098 C LEU A 164 30.384 35.183 44.703 1.00 21.65 C +ATOM 1099 O LEU A 164 30.644 34.071 45.169 1.00 19.54 O +ATOM 1100 CB LEU A 164 29.501 36.010 42.503 1.00 20.31 C +ATOM 1101 CG LEU A 164 29.626 36.177 40.959 1.00 20.14 C +ATOM 1102 CD1 LEU A 164 28.250 36.417 40.351 1.00 22.09 C +ATOM 1103 CD2 LEU A 164 30.554 37.350 40.650 1.00 24.08 C +ATOM 1104 N THR A 165 29.847 36.176 45.400 1.00 21.12 N +ATOM 1105 CA THR A 165 29.304 35.887 46.782 1.00 22.35 C +ATOM 1106 C THR A 165 27.923 36.545 46.720 1.00 23.87 C +ATOM 1107 O THR A 165 27.754 37.434 45.856 1.00 23.25 O +ATOM 1108 CB THR A 165 30.140 36.365 47.920 1.00 20.73 C +ATOM 1109 OG1 THR A 165 30.082 37.791 48.126 1.00 20.53 O +ATOM 1110 CG2 THR A 165 31.623 35.982 47.739 1.00 20.32 C +ATOM 1111 N PRO A 166 26.982 36.240 47.584 1.00 21.81 N +ATOM 1112 CA PRO A 166 27.142 35.349 48.689 1.00 19.85 C +ATOM 1113 C PRO A 166 27.422 33.886 48.357 1.00 20.04 C +ATOM 1114 O PRO A 166 27.209 33.402 47.234 1.00 20.89 O +ATOM 1115 CB PRO A 166 25.798 35.434 49.424 1.00 20.37 C +ATOM 1116 CG PRO A 166 25.202 36.751 49.031 1.00 22.05 C +ATOM 1117 CD PRO A 166 25.654 36.936 47.592 1.00 20.94 C +ATOM 1118 N GLN A 167 27.899 33.189 49.382 1.00 19.05 N +ATOM 1119 CA GLN A 167 28.161 31.716 49.333 1.00 18.77 C +ATOM 1120 C GLN A 167 27.291 31.211 50.496 1.00 20.90 C +ATOM 1121 O GLN A 167 27.432 31.785 51.606 1.00 21.32 O +ATOM 1122 CB GLN A 167 29.669 31.485 49.476 1.00 18.30 C +ATOM 1123 CG GLN A 167 30.431 32.194 48.307 1.00 20.53 C +ATOM 1124 CD GLN A 167 31.722 31.557 47.932 1.00 20.24 C +ATOM 1125 OE1 GLN A 167 32.265 30.678 48.641 1.00 19.31 O +ATOM 1126 NE2 GLN A 167 32.304 31.958 46.768 1.00 18.45 N +ATOM 1127 N PHE A 168 26.430 30.257 50.251 1.00 19.08 N +ATOM 1128 CA PHE A 168 25.417 29.800 51.206 1.00 20.11 C +ATOM 1129 C PHE A 168 25.536 28.348 51.557 1.00 20.03 C +ATOM 1130 O PHE A 168 25.499 27.474 50.692 1.00 20.13 O +ATOM 1131 CB PHE A 168 24.078 30.099 50.523 1.00 18.74 C +ATOM 1132 CG PHE A 168 22.860 29.869 51.392 1.00 19.18 C +ATOM 1133 CD1 PHE A 168 22.754 30.483 52.603 1.00 19.07 C +ATOM 1134 CD2 PHE A 168 21.776 29.186 50.831 1.00 22.59 C +ATOM 1135 CE1 PHE A 168 21.597 30.323 53.374 1.00 22.74 C +ATOM 1136 CE2 PHE A 168 20.620 29.006 51.606 1.00 24.07 C +ATOM 1137 CZ PHE A 168 20.549 29.571 52.852 1.00 21.03 C +ATOM 1138 N PHE A 169 25.704 28.047 52.869 1.00 20.19 N +ATOM 1139 CA PHE A 169 25.963 26.658 53.271 1.00 20.83 C +ATOM 1140 C PHE A 169 25.304 26.269 54.593 1.00 21.22 C +ATOM 1141 O PHE A 169 25.110 27.152 55.431 1.00 22.12 O +ATOM 1142 CB PHE A 169 27.489 26.496 53.565 1.00 19.58 C +ATOM 1143 CG PHE A 169 28.375 26.938 52.426 1.00 20.66 C +ATOM 1144 CD1 PHE A 169 28.558 26.108 51.334 1.00 25.13 C +ATOM 1145 CD2 PHE A 169 28.968 28.194 52.438 1.00 22.46 C +ATOM 1146 CE1 PHE A 169 29.348 26.520 50.256 1.00 26.21 C +ATOM 1147 CE2 PHE A 169 29.766 28.578 51.367 1.00 21.95 C +ATOM 1148 CZ PHE A 169 29.950 27.768 50.288 1.00 25.67 C +ATOM 1149 N PRO A 170 25.094 24.982 54.742 1.00 20.59 N +ATOM 1150 CA PRO A 170 24.534 24.487 56.033 1.00 23.75 C +ATOM 1151 C PRO A 170 25.538 24.908 57.098 1.00 23.33 C +ATOM 1152 O PRO A 170 26.764 24.848 56.847 1.00 25.18 O +ATOM 1153 CB PRO A 170 24.557 22.975 55.859 1.00 23.65 C +ATOM 1154 CG PRO A 170 24.513 22.742 54.397 1.00 23.07 C +ATOM 1155 CD PRO A 170 25.257 23.899 53.776 1.00 22.97 C +ATOM 1156 N ARG A 171 25.062 25.331 58.242 1.00 23.16 N +ATOM 1157 CA ARG A 171 25.951 25.828 59.309 1.00 23.53 C +ATOM 1158 C ARG A 171 26.936 24.797 59.797 1.00 22.79 C +ATOM 1159 O ARG A 171 28.152 25.071 59.875 1.00 23.80 O +ATOM 1160 CB ARG A 171 25.032 26.270 60.464 1.00 30.99 C +ATOM 1161 CG ARG A 171 25.574 27.466 61.242 1.00 38.14 C +ATOM 1162 CD ARG A 171 26.690 27.126 62.135 1.00 38.87 C +ATOM 1163 NE ARG A 171 26.753 27.733 63.417 1.00 36.13 N +ATOM 1164 CZ ARG A 171 25.878 28.276 64.223 1.00 40.58 C +ATOM 1165 NH1 ARG A 171 24.598 28.380 63.905 1.00 41.38 N +ATOM 1166 NH2 ARG A 171 26.307 28.732 65.418 1.00 33.75 N +ATOM 1167 N GLU A 172 26.541 23.560 60.029 1.00 21.70 N +ATOM 1168 CA GLU A 172 27.460 22.559 60.552 1.00 24.36 C +ATOM 1169 C GLU A 172 28.522 22.122 59.539 1.00 22.15 C +ATOM 1170 O GLU A 172 29.704 22.003 59.877 1.00 23.47 O +ATOM 1171 CB GLU A 172 26.687 21.355 61.074 1.00 28.91 C +ATOM 1172 CG GLU A 172 27.553 20.171 61.464 1.00 35.55 C +ATOM 1173 N LEU A 173 28.118 21.883 58.325 1.00 24.81 N +ATOM 1174 CA LEU A 173 29.059 21.471 57.255 1.00 21.95 C +ATOM 1175 C LEU A 173 30.121 22.525 57.065 1.00 23.11 C +ATOM 1176 O LEU A 173 31.316 22.254 56.959 1.00 21.04 O +ATOM 1177 CB LEU A 173 28.261 21.220 55.988 1.00 25.81 C +ATOM 1178 CG LEU A 173 29.105 20.729 54.780 1.00 24.28 C +ATOM 1179 CD1 LEU A 173 29.699 19.367 55.157 1.00 31.10 C +ATOM 1180 CD2 LEU A 173 28.241 20.642 53.549 1.00 28.42 C +ATOM 1181 N LEU A 174 29.667 23.814 56.970 1.00 20.49 N +ATOM 1182 CA LEU A 174 30.631 24.882 56.818 1.00 21.29 C +ATOM 1183 C LEU A 174 31.589 24.945 57.987 1.00 20.00 C +ATOM 1184 O LEU A 174 32.801 24.988 57.836 1.00 20.79 O +ATOM 1185 CB LEU A 174 29.955 26.248 56.616 1.00 22.50 C +ATOM 1186 CG LEU A 174 30.916 27.410 56.394 1.00 21.80 C +ATOM 1187 CD1 LEU A 174 31.722 27.230 55.098 1.00 24.98 C +ATOM 1188 CD2 LEU A 174 30.154 28.738 56.349 1.00 22.40 C +ATOM 1189 N HIS A 175 31.046 24.961 59.226 1.00 20.24 N +ATOM 1190 CA HIS A 175 31.925 25.006 60.383 1.00 22.57 C +ATOM 1191 C HIS A 175 32.922 23.844 60.408 1.00 20.53 C +ATOM 1192 O HIS A 175 34.127 24.045 60.610 1.00 21.18 O +ATOM 1193 CB HIS A 175 31.059 24.880 61.677 1.00 22.57 C +ATOM 1194 CG HIS A 175 31.925 24.714 62.894 1.00 26.83 C +ATOM 1195 ND1 HIS A 175 32.405 23.479 63.271 1.00 27.66 N +ATOM 1196 CD2 HIS A 175 32.443 25.623 63.758 1.00 29.25 C +ATOM 1197 CE1 HIS A 175 33.136 23.635 64.385 1.00 29.95 C +ATOM 1198 NE2 HIS A 175 33.187 24.911 64.688 1.00 28.33 N +ATOM 1199 N ASP A 176 32.435 22.653 60.164 1.00 22.38 N +ATOM 1200 CA ASP A 176 33.301 21.469 60.252 1.00 23.08 C +ATOM 1201 C ASP A 176 34.360 21.439 59.177 1.00 24.00 C +ATOM 1202 O ASP A 176 35.544 21.109 59.416 1.00 23.19 O +ATOM 1203 CB ASP A 176 32.454 20.208 60.271 1.00 26.04 C +ATOM 1204 CG ASP A 176 31.632 20.079 61.552 1.00 26.69 C +ATOM 1205 OD1 ASP A 176 30.858 19.108 61.633 1.00 27.42 O +ATOM 1206 OD2 ASP A 176 31.714 20.913 62.460 1.00 23.82 O +ATOM 1207 N CYS A 177 33.932 21.754 57.951 1.00 20.62 N +ATOM 1208 CA CYS A 177 34.918 21.756 56.879 1.00 22.07 C +ATOM 1209 C CYS A 177 35.959 22.843 57.027 1.00 21.71 C +ATOM 1210 O CYS A 177 37.164 22.658 56.750 1.00 24.28 O +ATOM 1211 CB CYS A 177 34.249 21.909 55.542 1.00 23.59 C +ATOM 1212 SG ACYS A 177 35.271 21.768 54.155 0.65 19.45 S +ATOM 1213 SG BCYS A 177 33.285 20.719 54.745 0.35 19.78 S +ATOM 1214 N LEU A 178 35.497 24.111 57.226 1.00 21.58 N +ATOM 1215 CA LEU A 178 36.422 25.205 57.374 1.00 22.45 C +ATOM 1216 C LEU A 178 37.429 24.889 58.492 1.00 21.61 C +ATOM 1217 O LEU A 178 38.612 25.203 58.372 1.00 22.26 O +ATOM 1218 CB LEU A 178 35.703 26.508 57.778 1.00 22.48 C +ATOM 1219 CG LEU A 178 35.757 27.698 56.871 1.00 31.79 C +ATOM 1220 CD1 LEU A 178 35.243 28.944 57.597 1.00 30.62 C +ATOM 1221 CD2 LEU A 178 37.150 27.952 56.298 1.00 34.02 C +ATOM 1222 N THR A 179 36.910 24.401 59.628 1.00 24.00 N +ATOM 1223 CA THR A 179 37.822 24.076 60.733 1.00 21.00 C +ATOM 1224 C THR A 179 38.876 23.072 60.270 1.00 22.60 C +ATOM 1225 O THR A 179 40.067 23.265 60.495 1.00 23.31 O +ATOM 1226 CB THR A 179 37.023 23.450 61.902 1.00 25.66 C +ATOM 1227 OG1 THR A 179 36.085 24.447 62.358 1.00 24.54 O +ATOM 1228 CG2 THR A 179 37.938 23.091 63.066 1.00 25.36 C +ATOM 1229 N ARG A 180 38.416 21.964 59.669 1.00 21.77 N +ATOM 1230 CA ARG A 180 39.394 20.958 59.227 1.00 21.80 C +ATOM 1231 C ARG A 180 40.380 21.476 58.212 1.00 21.51 C +ATOM 1232 O ARG A 180 41.603 21.307 58.361 1.00 23.05 O +ATOM 1233 CB ARG A 180 38.654 19.720 58.664 1.00 22.05 C +ATOM 1234 CG ARG A 180 39.686 18.672 58.157 1.00 20.97 C +ATOM 1235 CD ARG A 180 40.531 18.182 59.351 1.00 19.17 C +ATOM 1236 NE ARG A 180 39.714 17.573 60.380 1.00 22.98 N +ATOM 1237 CZ ARG A 180 39.210 16.347 60.414 1.00 24.23 C +ATOM 1238 NH1 ARG A 180 38.459 16.009 61.482 1.00 19.45 N +ATOM 1239 NH2 ARG A 180 39.444 15.438 59.482 1.00 23.54 N +ATOM 1240 N ALA A 181 39.928 22.223 57.219 1.00 21.33 N +ATOM 1241 CA ALA A 181 40.825 22.767 56.173 1.00 24.12 C +ATOM 1242 C ALA A 181 41.881 23.661 56.779 1.00 27.02 C +ATOM 1243 O ALA A 181 43.067 23.614 56.457 1.00 27.24 O +ATOM 1244 CB ALA A 181 39.998 23.518 55.144 1.00 23.70 C +ATOM 1245 N LEU A 182 41.424 24.563 57.681 1.00 25.03 N +ATOM 1246 CA LEU A 182 42.374 25.463 58.315 1.00 28.78 C +ATOM 1247 C LEU A 182 43.386 24.705 59.166 1.00 28.87 C +ATOM 1248 O LEU A 182 44.574 24.982 59.066 1.00 30.41 O +ATOM 1249 CB LEU A 182 41.636 26.477 59.172 1.00 29.47 C +ATOM 1250 CG LEU A 182 40.924 27.613 58.431 1.00 35.14 C +ATOM 1251 CD1 LEU A 182 40.307 28.526 59.499 1.00 35.04 C +ATOM 1252 CD2 LEU A 182 41.884 28.404 57.560 1.00 37.53 C +ATOM 1253 N ASN A 183 42.938 23.718 59.929 1.00 30.09 N +ATOM 1254 CA ASN A 183 43.848 22.930 60.776 1.00 31.16 C +ATOM 1255 C ASN A 183 44.876 22.192 59.941 1.00 31.44 C +ATOM 1256 O ASN A 183 46.053 22.090 60.301 1.00 34.27 O +ATOM 1257 CB ASN A 183 43.038 21.904 61.591 1.00 29.08 C +ATOM 1258 CG ASN A 183 42.342 22.565 62.772 1.00 32.16 C +ATOM 1259 OD1 ASN A 183 42.601 23.735 63.062 1.00 38.78 O +ATOM 1260 ND2 ASN A 183 41.457 21.850 63.435 1.00 30.82 N +ATOM 1261 N GLU A 184 44.458 21.645 58.804 1.00 30.82 N +ATOM 1262 CA GLU A 184 45.321 20.935 57.901 1.00 28.65 C +ATOM 1263 C GLU A 184 46.131 21.869 57.007 1.00 29.60 C +ATOM 1264 O GLU A 184 46.898 21.414 56.147 1.00 29.44 O +ATOM 1265 CB GLU A 184 44.491 19.976 57.009 1.00 26.60 C +ATOM 1266 CG GLU A 184 43.945 18.792 57.828 1.00 29.52 C +ATOM 1267 CD GLU A 184 45.111 17.899 58.260 1.00 31.11 C +ATOM 1268 OE1 GLU A 184 45.696 17.258 57.348 1.00 28.64 O +ATOM 1269 OE2 GLU A 184 45.390 17.876 59.461 1.00 33.41 O +ATOM 1270 N GLY A 185 45.969 23.168 57.143 1.00 31.28 N +ATOM 1271 CA GLY A 185 46.732 24.141 56.367 1.00 31.37 C +ATOM 1272 C GLY A 185 46.396 24.236 54.933 1.00 32.15 C +ATOM 1273 O GLY A 185 47.219 24.600 54.033 1.00 33.13 O +ATOM 1274 N ALA A 186 45.156 23.929 54.563 1.00 31.34 N +ATOM 1275 CA ALA A 186 44.731 24.033 53.184 1.00 30.51 C +ATOM 1276 C ALA A 186 44.811 25.506 52.732 1.00 32.22 C +ATOM 1277 O ALA A 186 44.764 26.382 53.584 1.00 30.42 O +ATOM 1278 CB ALA A 186 43.273 23.591 53.078 1.00 32.30 C +ATOM 1279 N THR A 187 44.925 25.697 51.435 1.00 31.51 N +ATOM 1280 CA THR A 187 44.974 27.026 50.800 1.00 34.33 C +ATOM 1281 C THR A 187 43.536 27.445 50.492 1.00 32.67 C +ATOM 1282 O THR A 187 42.911 27.005 49.521 1.00 37.21 O +ATOM 1283 CB THR A 187 45.820 26.997 49.519 1.00 38.02 C +ATOM 1284 OG1 THR A 187 47.150 26.527 49.824 1.00 42.99 O +ATOM 1285 CG2 THR A 187 45.932 28.367 48.876 1.00 42.20 C +ATOM 1286 N ILE A 188 42.977 28.279 51.344 1.00 33.53 N +ATOM 1287 CA ILE A 188 41.571 28.679 51.235 1.00 32.58 C +ATOM 1288 C ILE A 188 41.407 30.062 50.616 1.00 34.40 C +ATOM 1289 O ILE A 188 41.997 31.045 51.070 1.00 35.27 O +ATOM 1290 CB ILE A 188 40.929 28.677 52.629 1.00 34.29 C +ATOM 1291 CG1 ILE A 188 41.077 27.294 53.292 1.00 36.32 C +ATOM 1292 CG2 ILE A 188 39.455 29.082 52.610 1.00 33.72 C +ATOM 1293 CD1 ILE A 188 40.532 27.248 54.702 1.00 36.32 C +ATOM 1294 N THR A 189 40.575 30.137 49.596 1.00 29.40 N +ATOM 1295 CA THR A 189 40.271 31.422 48.969 1.00 29.42 C +ATOM 1296 C THR A 189 38.869 31.823 49.436 1.00 27.52 C +ATOM 1297 O THR A 189 38.789 32.539 50.430 1.00 29.08 O +ATOM 1298 CB THR A 189 40.366 31.322 47.454 1.00 30.10 C +ATOM 1299 OG1 THR A 189 39.748 30.103 47.028 1.00 29.98 O +ATOM 1300 CG2 THR A 189 41.849 31.255 47.034 1.00 33.90 C +ATOM 1301 N ASP A 190 37.825 31.226 48.867 1.00 24.69 N +ATOM 1302 CA ASP A 190 36.459 31.500 49.320 1.00 22.26 C +ATOM 1303 C ASP A 190 35.948 30.310 50.141 1.00 21.98 C +ATOM 1304 O ASP A 190 36.665 29.324 50.298 1.00 22.28 O +ATOM 1305 CB ASP A 190 35.503 31.804 48.177 1.00 20.86 C +ATOM 1306 CG ASP A 190 35.448 30.748 47.093 1.00 22.29 C +ATOM 1307 OD1 ASP A 190 34.794 30.995 46.065 1.00 21.88 O +ATOM 1308 OD2 ASP A 190 36.010 29.633 47.250 1.00 23.85 O +ATOM 1309 N GLU A 191 34.714 30.441 50.639 1.00 21.14 N +ATOM 1310 CA GLU A 191 34.163 29.366 51.476 1.00 20.53 C +ATOM 1311 C GLU A 191 34.009 28.134 50.627 1.00 18.76 C +ATOM 1312 O GLU A 191 34.252 27.014 51.105 1.00 18.98 O +ATOM 1313 CB GLU A 191 32.880 29.775 52.168 1.00 21.05 C +ATOM 1314 CG GLU A 191 33.061 30.819 53.270 1.00 24.06 C +ATOM 1315 CD GLU A 191 33.607 32.128 52.705 1.00 28.09 C +ATOM 1316 OE1 GLU A 191 33.145 32.582 51.634 1.00 26.56 O +ATOM 1317 OE2 GLU A 191 34.541 32.672 53.298 1.00 29.87 O +ATOM 1318 N ALA A 192 33.547 28.296 49.372 1.00 18.33 N +ATOM 1319 CA ALA A 192 33.441 27.104 48.508 1.00 17.78 C +ATOM 1320 C ALA A 192 34.732 26.321 48.464 1.00 20.04 C +ATOM 1321 O ALA A 192 34.717 25.062 48.398 1.00 19.96 O +ATOM 1322 CB ALA A 192 33.074 27.538 47.069 1.00 16.12 C +ATOM 1323 N SER A 193 35.878 27.001 48.400 1.00 19.57 N +ATOM 1324 CA SER A 193 37.179 26.274 48.303 1.00 21.38 C +ATOM 1325 C SER A 193 37.420 25.415 49.526 1.00 21.37 C +ATOM 1326 O SER A 193 38.137 24.372 49.419 1.00 20.07 O +ATOM 1327 CB SER A 193 38.312 27.268 48.064 1.00 20.87 C +ATOM 1328 OG SER A 193 38.672 27.972 49.246 1.00 23.37 O +ATOM 1329 N ALA A 194 36.885 25.748 50.693 1.00 21.46 N +ATOM 1330 CA ALA A 194 37.045 24.872 51.859 1.00 21.52 C +ATOM 1331 C ALA A 194 36.203 23.617 51.648 1.00 21.38 C +ATOM 1332 O ALA A 194 36.676 22.506 51.876 1.00 21.24 O +ATOM 1333 CB ALA A 194 36.629 25.553 53.169 1.00 20.74 C +ATOM 1334 N LEU A 195 34.964 23.780 51.140 1.00 18.27 N +ATOM 1335 CA LEU A 195 34.121 22.626 50.878 1.00 20.28 C +ATOM 1336 C LEU A 195 34.796 21.727 49.833 1.00 20.76 C +ATOM 1337 O LEU A 195 34.753 20.490 49.904 1.00 20.21 O +ATOM 1338 CB LEU A 195 32.701 23.038 50.455 1.00 19.52 C +ATOM 1339 CG LEU A 195 31.729 23.148 51.682 1.00 22.64 C +ATOM 1340 CD1 LEU A 195 32.171 24.363 52.490 1.00 26.40 C +ATOM 1341 CD2 LEU A 195 30.302 23.265 51.200 1.00 31.92 C +ATOM 1342 N GLU A 196 35.442 22.340 48.853 1.00 18.83 N +ATOM 1343 CA GLU A 196 36.157 21.596 47.800 1.00 18.38 C +ATOM 1344 C GLU A 196 37.276 20.754 48.394 1.00 20.93 C +ATOM 1345 O GLU A 196 37.519 19.568 48.041 1.00 21.25 O +ATOM 1346 CB GLU A 196 36.753 22.624 46.816 1.00 19.89 C +ATOM 1347 CG GLU A 196 35.635 23.386 46.089 1.00 27.45 C +ATOM 1348 CD GLU A 196 36.205 24.577 45.295 1.00 28.88 C +ATOM 1349 OE1 GLU A 196 35.423 25.539 45.168 1.00 27.02 O +ATOM 1350 OE2 GLU A 196 37.397 24.492 44.911 1.00 31.03 O +ATOM 1351 N TYR A 197 38.020 21.370 49.295 1.00 17.73 N +ATOM 1352 CA TYR A 197 39.129 20.668 49.961 1.00 21.34 C +ATOM 1353 C TYR A 197 38.641 19.435 50.704 1.00 20.98 C +ATOM 1354 O TYR A 197 39.280 18.385 50.669 1.00 19.77 O +ATOM 1355 CB TYR A 197 39.745 21.650 50.991 1.00 24.02 C +ATOM 1356 CG TYR A 197 40.903 20.984 51.712 1.00 27.12 C +ATOM 1357 CD1 TYR A 197 42.111 20.959 51.015 1.00 30.57 C +ATOM 1358 CD2 TYR A 197 40.798 20.354 52.931 1.00 30.09 C +ATOM 1359 CE1 TYR A 197 43.218 20.381 51.565 1.00 31.51 C +ATOM 1360 CE2 TYR A 197 41.933 19.735 53.499 1.00 32.03 C +ATOM 1361 CZ TYR A 197 43.108 19.756 52.791 1.00 32.07 C +ATOM 1362 OH TYR A 197 44.273 19.184 53.273 1.00 36.79 O +ATOM 1363 N CYS A 198 37.449 19.540 51.319 1.00 18.64 N +ATOM 1364 CA CYS A 198 36.871 18.447 52.073 1.00 21.76 C +ATOM 1365 C CYS A 198 36.179 17.413 51.199 1.00 20.82 C +ATOM 1366 O CYS A 198 35.827 16.350 51.738 1.00 23.70 O +ATOM 1367 CB CYS A 198 35.867 18.978 53.123 1.00 22.65 C +ATOM 1368 SG CYS A 198 36.553 20.121 54.336 1.00 21.10 S +ATOM 1369 N GLY A 199 36.050 17.667 49.913 1.00 20.78 N +ATOM 1370 CA GLY A 199 35.478 16.721 48.981 1.00 19.84 C +ATOM 1371 C GLY A 199 34.043 16.941 48.601 1.00 23.77 C +ATOM 1372 O GLY A 199 33.367 16.008 48.121 1.00 24.16 O +ATOM 1373 N PHE A 200 33.488 18.117 48.907 1.00 21.86 N +ATOM 1374 CA PHE A 200 32.140 18.461 48.606 1.00 22.79 C +ATOM 1375 C PHE A 200 32.102 19.361 47.361 1.00 23.97 C +ATOM 1376 O PHE A 200 33.108 19.837 46.854 1.00 23.52 O +ATOM 1377 CB PHE A 200 31.402 19.116 49.780 1.00 20.68 C +ATOM 1378 CG PHE A 200 31.425 18.233 51.015 1.00 25.47 C +ATOM 1379 CD1 PHE A 200 32.394 18.390 51.979 1.00 29.31 C +ATOM 1380 CD2 PHE A 200 30.478 17.244 51.178 1.00 30.34 C +ATOM 1381 CE1 PHE A 200 32.414 17.579 53.114 1.00 27.84 C +ATOM 1382 CE2 PHE A 200 30.491 16.419 52.301 1.00 31.32 C +ATOM 1383 CZ PHE A 200 31.474 16.573 53.242 1.00 27.88 C +ATOM 1384 N HIS A 201 30.906 19.395 46.776 1.00 19.96 N +ATOM 1385 CA HIS A 201 30.679 20.124 45.534 1.00 23.49 C +ATOM 1386 C HIS A 201 29.477 21.049 45.636 1.00 22.39 C +ATOM 1387 O HIS A 201 28.370 20.688 45.256 1.00 22.84 O +ATOM 1388 CB HIS A 201 30.426 19.105 44.397 1.00 25.56 C +ATOM 1389 CG HIS A 201 31.567 18.141 44.307 1.00 29.07 C +ATOM 1390 ND1 HIS A 201 32.713 18.394 43.628 1.00 30.20 N +ATOM 1391 CD2 HIS A 201 31.716 16.908 44.896 1.00 33.92 C +ATOM 1392 CE1 HIS A 201 33.546 17.373 43.774 1.00 31.67 C +ATOM 1393 NE2 HIS A 201 32.952 16.465 44.531 1.00 35.48 N +ATOM 1394 N PRO A 202 29.749 22.283 46.032 1.00 22.81 N +ATOM 1395 CA PRO A 202 28.711 23.295 46.151 1.00 22.90 C +ATOM 1396 C PRO A 202 28.103 23.591 44.774 1.00 22.40 C +ATOM 1397 O PRO A 202 28.743 23.477 43.719 1.00 21.08 O +ATOM 1398 CB PRO A 202 29.435 24.476 46.746 1.00 21.87 C +ATOM 1399 CG PRO A 202 30.729 23.970 47.320 1.00 21.01 C +ATOM 1400 CD PRO A 202 31.088 22.793 46.418 1.00 21.04 C +ATOM 1401 N GLN A 203 26.818 23.915 44.785 1.00 22.00 N +ATOM 1402 CA GLN A 203 26.067 24.201 43.542 1.00 22.26 C +ATOM 1403 C GLN A 203 26.447 25.587 43.031 1.00 23.20 C +ATOM 1404 O GLN A 203 26.746 26.498 43.826 1.00 22.47 O +ATOM 1405 CB GLN A 203 24.570 24.211 43.896 1.00 27.04 C +ATOM 1406 CG GLN A 203 23.937 22.858 44.110 1.00 33.50 C +ATOM 1407 N LEU A 204 26.390 25.734 41.720 1.00 20.94 N +ATOM 1408 CA LEU A 204 26.614 27.025 41.063 1.00 20.76 C +ATOM 1409 C LEU A 204 25.234 27.612 40.681 1.00 24.55 C +ATOM 1410 O LEU A 204 24.471 26.950 39.952 1.00 23.81 O +ATOM 1411 CB LEU A 204 27.453 26.776 39.809 1.00 21.06 C +ATOM 1412 CG LEU A 204 28.937 26.432 40.073 1.00 22.82 C +ATOM 1413 CD1 LEU A 204 29.556 25.700 38.886 1.00 22.16 C +ATOM 1414 CD2 LEU A 204 29.721 27.698 40.377 1.00 26.20 C +ATOM 1415 N VAL A 205 24.836 28.706 41.312 1.00 21.05 N +ATOM 1416 CA VAL A 205 23.543 29.368 40.992 1.00 23.31 C +ATOM 1417 C VAL A 205 23.890 30.605 40.167 1.00 23.36 C +ATOM 1418 O VAL A 205 24.588 31.498 40.634 1.00 23.80 O +ATOM 1419 CB VAL A 205 22.852 29.774 42.319 1.00 23.74 C +ATOM 1420 CG1 VAL A 205 21.587 30.577 42.105 1.00 25.24 C +ATOM 1421 CG2 VAL A 205 22.519 28.512 43.136 1.00 22.87 C +ATOM 1422 N GLU A 206 23.399 30.703 38.909 1.00 25.33 N +ATOM 1423 CA GLU A 206 23.753 31.853 38.107 1.00 25.43 C +ATOM 1424 C GLU A 206 23.173 33.142 38.654 1.00 27.23 C +ATOM 1425 O GLU A 206 21.988 33.194 39.030 1.00 28.70 O +ATOM 1426 CB GLU A 206 23.394 31.666 36.609 1.00 26.10 C +ATOM 1427 CG GLU A 206 23.791 32.914 35.796 1.00 26.05 C +ATOM 1428 CD GLU A 206 23.657 32.701 34.287 1.00 32.15 C +ATOM 1429 OE1 GLU A 206 24.071 33.617 33.543 1.00 27.71 O +ATOM 1430 OE2 GLU A 206 23.226 31.618 33.889 1.00 31.94 O +ATOM 1431 N GLY A 207 24.027 34.139 38.794 1.00 26.48 N +ATOM 1432 CA GLY A 207 23.581 35.463 39.261 1.00 29.18 C +ATOM 1433 C GLY A 207 24.032 36.509 38.253 1.00 30.42 C +ATOM 1434 O GLY A 207 24.907 36.249 37.414 1.00 30.04 O +ATOM 1435 N ARG A 208 23.504 37.732 38.338 1.00 29.69 N +ATOM 1436 CA ARG A 208 23.912 38.770 37.411 1.00 28.95 C +ATOM 1437 C ARG A 208 25.373 39.153 37.563 1.00 30.55 C +ATOM 1438 O ARG A 208 25.941 39.158 38.648 1.00 29.74 O +ATOM 1439 CB ARG A 208 23.034 40.024 37.582 1.00 35.51 C +ATOM 1440 CG ARG A 208 21.613 39.830 37.036 1.00 41.33 C +ATOM 1441 CD ARG A 208 20.889 41.191 36.977 1.00 44.71 C +ATOM 1442 NE ARG A 208 19.456 41.003 36.738 1.00 47.27 N +ATOM 1443 CZ ARG A 208 18.630 40.434 37.610 1.00 49.34 C +ATOM 1444 NH1 ARG A 208 17.336 40.275 37.346 1.00 48.46 N +ATOM 1445 NH2 ARG A 208 19.104 40.027 38.787 1.00 44.15 N +ATOM 1446 N ALA A 209 26.008 39.550 36.448 1.00 31.07 N +ATOM 1447 CA ALA A 209 27.415 39.929 36.441 1.00 30.98 C +ATOM 1448 C ALA A 209 27.685 41.335 36.903 1.00 29.95 C +ATOM 1449 O ALA A 209 28.835 41.776 37.074 1.00 30.58 O +ATOM 1450 CB ALA A 209 27.989 39.700 35.022 1.00 37.89 C +ATOM 1451 N ASP A 210 26.659 42.086 37.291 1.00 29.39 N +ATOM 1452 CA ASP A 210 26.888 43.426 37.849 1.00 29.72 C +ATOM 1453 C ASP A 210 27.194 43.292 39.325 1.00 28.89 C +ATOM 1454 O ASP A 210 27.346 44.284 40.055 1.00 26.90 O +ATOM 1455 CB ASP A 210 25.687 44.327 37.570 1.00 34.53 C +ATOM 1456 CG ASP A 210 24.389 43.888 38.167 1.00 37.97 C +ATOM 1457 OD1 ASP A 210 23.373 44.655 38.136 1.00 39.16 O +ATOM 1458 OD2 ASP A 210 24.294 42.772 38.729 1.00 32.11 O +ATOM 1459 N ASN A 211 27.290 42.046 39.810 1.00 26.26 N +ATOM 1460 CA ASN A 211 27.654 41.806 41.233 1.00 25.23 C +ATOM 1461 C ASN A 211 29.172 41.898 41.285 1.00 26.61 C +ATOM 1462 O ASN A 211 29.909 40.931 41.163 1.00 28.27 O +ATOM 1463 CB ASN A 211 27.195 40.411 41.641 1.00 23.70 C +ATOM 1464 CG ASN A 211 27.550 40.041 43.066 1.00 26.94 C +ATOM 1465 OD1 ASN A 211 28.171 40.803 43.815 1.00 27.83 O +ATOM 1466 ND2 ASN A 211 27.136 38.834 43.502 1.00 20.60 N +ATOM 1467 N ILE A 212 29.698 43.145 41.240 1.00 29.42 N +ATOM 1468 CA ILE A 212 31.122 43.325 41.216 1.00 27.79 C +ATOM 1469 C ILE A 212 31.742 43.512 42.580 1.00 28.11 C +ATOM 1470 O ILE A 212 31.087 43.976 43.513 1.00 30.09 O +ATOM 1471 CB ILE A 212 31.521 44.521 40.319 1.00 35.05 C +ATOM 1472 CG1 ILE A 212 30.719 45.763 40.712 1.00 36.49 C +ATOM 1473 CG2 ILE A 212 31.287 44.215 38.837 1.00 31.02 C +ATOM 1474 CD1 ILE A 212 31.178 46.477 41.930 1.00 44.11 C +ATOM 1475 N LYS A 213 33.045 43.255 42.666 1.00 28.06 N +ATOM 1476 CA LYS A 213 33.803 43.448 43.885 1.00 29.10 C +ATOM 1477 C LYS A 213 34.659 44.716 43.731 1.00 33.09 C +ATOM 1478 O LYS A 213 35.475 44.815 42.807 1.00 31.11 O +ATOM 1479 CB LYS A 213 34.724 42.279 44.216 1.00 33.68 C +ATOM 1480 CG LYS A 213 35.359 42.401 45.617 1.00 33.66 C +ATOM 1481 CD LYS A 213 36.089 41.090 45.944 1.00 37.78 C +ATOM 1482 CE LYS A 213 37.142 41.348 47.022 1.00 40.26 C +ATOM 1483 NZ LYS A 213 37.769 40.076 47.478 1.00 40.26 N +ATOM 1484 N VAL A 214 34.394 45.685 44.591 1.00 31.86 N +ATOM 1485 CA VAL A 214 35.134 46.950 44.511 1.00 33.03 C +ATOM 1486 C VAL A 214 36.574 46.756 44.947 1.00 35.65 C +ATOM 1487 O VAL A 214 36.949 46.561 46.097 1.00 33.81 O +ATOM 1488 CB VAL A 214 34.418 48.078 45.216 1.00 30.84 C +ATOM 1489 CG1 VAL A 214 35.200 49.384 45.146 1.00 32.32 C +ATOM 1490 CG2 VAL A 214 33.013 48.253 44.673 1.00 34.54 C +ATOM 1491 N THR A 215 37.407 46.701 43.910 1.00 38.26 N +ATOM 1492 CA THR A 215 38.814 46.492 43.899 1.00 43.54 C +ATOM 1493 C THR A 215 39.197 45.082 44.356 1.00 47.52 C +ATOM 1494 O THR A 215 38.466 44.118 44.011 1.00 47.34 O +ATOM 1495 CB THR A 215 39.628 47.571 44.614 1.00 47.40 C +ATOM 1496 OG1 THR A 215 39.408 48.831 43.915 1.00 46.09 O +ATOM 1497 CG2 THR A 215 41.127 47.291 44.574 1.00 44.25 C +ATOM 1498 N GLU A 218 38.606 52.623 40.139 1.00 52.31 N +ATOM 1499 CA GLU A 218 37.763 52.665 38.947 1.00 53.13 C +ATOM 1500 C GLU A 218 36.437 51.955 39.155 1.00 53.33 C +ATOM 1501 O GLU A 218 35.401 52.316 38.595 1.00 54.96 O +ATOM 1502 CB GLU A 218 38.513 51.992 37.782 1.00 57.02 C +ATOM 1503 N ASP A 219 36.465 50.942 40.020 1.00 51.65 N +ATOM 1504 CA ASP A 219 35.327 50.121 40.367 1.00 47.12 C +ATOM 1505 C ASP A 219 34.165 50.913 40.946 1.00 43.96 C +ATOM 1506 O ASP A 219 32.993 50.538 40.809 1.00 41.69 O +ATOM 1507 CB ASP A 219 35.770 49.054 41.386 1.00 47.11 C +ATOM 1508 CG ASP A 219 36.572 47.930 40.779 1.00 49.73 C +ATOM 1509 OD1 ASP A 219 36.255 47.509 39.646 1.00 50.86 O +ATOM 1510 OD2 ASP A 219 37.517 47.431 41.433 1.00 49.72 O +ATOM 1511 N LEU A 220 34.503 51.998 41.636 1.00 42.28 N +ATOM 1512 CA LEU A 220 33.523 52.841 42.290 1.00 40.40 C +ATOM 1513 C LEU A 220 32.505 53.372 41.315 1.00 38.35 C +ATOM 1514 O LEU A 220 31.293 53.218 41.479 1.00 36.77 O +ATOM 1515 CB LEU A 220 34.241 53.981 43.045 1.00 42.80 C +ATOM 1516 CG LEU A 220 33.596 54.381 44.373 1.00 46.55 C +ATOM 1517 CD1 LEU A 220 33.476 53.172 45.304 1.00 44.77 C +ATOM 1518 CD2 LEU A 220 34.408 55.485 45.046 1.00 47.81 C +ATOM 1519 N ALA A 221 33.031 54.002 40.246 1.00 36.63 N +ATOM 1520 CA ALA A 221 32.159 54.563 39.231 1.00 37.42 C +ATOM 1521 C ALA A 221 31.257 53.494 38.630 1.00 34.11 C +ATOM 1522 O ALA A 221 30.052 53.734 38.491 1.00 35.97 O +ATOM 1523 CB ALA A 221 32.980 55.289 38.160 1.00 33.74 C +ATOM 1524 N LEU A 222 31.784 52.314 38.335 1.00 35.04 N +ATOM 1525 CA LEU A 222 30.940 51.254 37.759 1.00 35.05 C +ATOM 1526 C LEU A 222 29.901 50.757 38.753 1.00 32.03 C +ATOM 1527 O LEU A 222 28.718 50.580 38.454 1.00 31.31 O +ATOM 1528 CB LEU A 222 31.802 50.104 37.237 1.00 37.29 C +ATOM 1529 CG LEU A 222 31.029 48.879 36.734 1.00 39.10 C +ATOM 1530 CD1 LEU A 222 29.971 49.273 35.718 1.00 38.16 C +ATOM 1531 CD2 LEU A 222 32.014 47.865 36.129 1.00 41.06 C +ATOM 1532 N ALA A 223 30.338 50.547 39.997 1.00 33.56 N +ATOM 1533 CA ALA A 223 29.388 50.133 41.036 1.00 32.69 C +ATOM 1534 C ALA A 223 28.292 51.179 41.184 1.00 32.50 C +ATOM 1535 O ALA A 223 27.121 50.840 41.327 1.00 31.23 O +ATOM 1536 CB ALA A 223 30.128 49.924 42.351 1.00 30.49 C +ATOM 1537 N GLU A 224 28.649 52.478 41.114 1.00 34.07 N +ATOM 1538 CA GLU A 224 27.580 53.485 41.227 1.00 36.33 C +ATOM 1539 C GLU A 224 26.591 53.374 40.086 1.00 37.67 C +ATOM 1540 O GLU A 224 25.383 53.492 40.299 1.00 38.29 O +ATOM 1541 CB GLU A 224 28.152 54.899 41.273 1.00 40.88 C +ATOM 1542 CG GLU A 224 27.090 55.943 41.637 1.00 44.92 C +ATOM 1543 CD GLU A 224 27.718 57.310 41.834 1.00 53.70 C +ATOM 1544 OE1 GLU A 224 28.538 57.681 40.959 1.00 58.18 O +ATOM 1545 OE2 GLU A 224 27.395 57.982 42.830 1.00 55.96 O +ATOM 1546 N PHE A 225 27.103 53.191 38.850 1.00 37.41 N +ATOM 1547 CA PHE A 225 26.191 53.055 37.697 1.00 35.78 C +ATOM 1548 C PHE A 225 25.226 51.913 37.953 1.00 38.10 C +ATOM 1549 O PHE A 225 24.002 52.002 37.857 1.00 36.99 O +ATOM 1550 CB PHE A 225 27.026 52.819 36.424 1.00 37.20 C +ATOM 1551 CG PHE A 225 26.258 52.274 35.251 1.00 37.63 C +ATOM 1552 CD1 PHE A 225 25.377 53.086 34.551 1.00 36.60 C +ATOM 1553 CD2 PHE A 225 26.417 50.965 34.831 1.00 32.47 C +ATOM 1554 CE1 PHE A 225 24.665 52.607 33.469 1.00 35.55 C +ATOM 1555 CE2 PHE A 225 25.707 50.480 33.749 1.00 39.09 C +ATOM 1556 CZ PHE A 225 24.817 51.294 33.067 1.00 37.69 C +ATOM 1557 N TYR A 226 25.781 50.761 38.368 1.00 37.98 N +ATOM 1558 CA TYR A 226 24.952 49.597 38.648 1.00 40.52 C +ATOM 1559 C TYR A 226 23.929 49.856 39.755 1.00 41.15 C +ATOM 1560 O TYR A 226 22.838 49.288 39.686 1.00 44.22 O +ATOM 1561 CB TYR A 226 25.818 48.423 39.077 1.00 38.46 C +ATOM 1562 CG TYR A 226 26.574 47.751 37.963 1.00 36.65 C +ATOM 1563 CD1 TYR A 226 27.810 47.176 38.196 1.00 35.46 C +ATOM 1564 CD2 TYR A 226 26.011 47.671 36.681 1.00 36.41 C +ATOM 1565 CE1 TYR A 226 28.491 46.532 37.174 1.00 34.83 C +ATOM 1566 CE2 TYR A 226 26.694 47.046 35.662 1.00 34.50 C +ATOM 1567 CZ TYR A 226 27.917 46.481 35.917 1.00 33.10 C +ATOM 1568 OH TYR A 226 28.594 45.838 34.917 1.00 38.68 O +ATOM 1569 N LEU A 227 24.322 50.615 40.750 1.00 43.45 N +ATOM 1570 CA LEU A 227 23.432 50.962 41.856 1.00 47.03 C +ATOM 1571 C LEU A 227 22.465 52.082 41.435 1.00 50.11 C +ATOM 1572 O LEU A 227 21.246 51.863 41.473 1.00 52.97 O +ATOM 1573 CB LEU A 227 24.248 51.447 43.057 1.00 43.37 C +ATOM 1574 CG LEU A 227 24.934 50.345 43.867 1.00 41.56 C +ATOM 1575 CD1 LEU A 227 25.877 50.932 44.904 1.00 45.74 C +ATOM 1576 CD2 LEU A 227 23.880 49.452 44.521 1.00 41.44 C +TER 1577 LEU A 227 +ATOM 1578 N LEU B 6 53.266 49.350 5.788 1.00 34.65 N +ATOM 1579 CA LEU B 6 52.740 49.545 7.151 1.00 36.47 C +ATOM 1580 C LEU B 6 51.220 49.391 7.169 1.00 35.22 C +ATOM 1581 O LEU B 6 50.587 49.422 8.237 1.00 31.61 O +ATOM 1582 CB LEU B 6 53.106 50.946 7.609 1.00 43.10 C +ATOM 1583 CG LEU B 6 53.816 51.131 8.932 1.00 46.53 C +ATOM 1584 CD1 LEU B 6 54.917 50.105 9.152 1.00 45.98 C +ATOM 1585 CD2 LEU B 6 54.399 52.540 9.007 1.00 48.39 C +ATOM 1586 N ASP B 7 50.636 49.300 5.985 1.00 32.75 N +ATOM 1587 CA ASP B 7 49.203 49.161 5.840 1.00 33.58 C +ATOM 1588 C ASP B 7 48.706 47.897 6.576 1.00 29.96 C +ATOM 1589 O ASP B 7 49.301 46.850 6.432 1.00 32.90 O +ATOM 1590 CB ASP B 7 48.735 48.989 4.403 1.00 35.47 C +ATOM 1591 CG ASP B 7 48.942 50.180 3.502 1.00 41.16 C +ATOM 1592 OD1 ASP B 7 49.412 51.219 3.983 1.00 39.68 O +ATOM 1593 OD2 ASP B 7 48.613 50.032 2.295 1.00 41.21 O +ATOM 1594 N VAL B 8 47.574 48.070 7.217 1.00 26.70 N +ATOM 1595 CA VAL B 8 46.904 46.964 7.929 1.00 23.54 C +ATOM 1596 C VAL B 8 45.450 46.967 7.442 1.00 21.15 C +ATOM 1597 O VAL B 8 44.889 47.990 7.089 1.00 22.45 O +ATOM 1598 CB VAL B 8 46.928 47.210 9.456 1.00 24.17 C +ATOM 1599 CG1 VAL B 8 45.927 46.326 10.199 1.00 26.06 C +ATOM 1600 CG2 VAL B 8 48.346 46.955 9.992 1.00 29.09 C +ATOM 1601 N CYS B 9 44.919 45.757 7.266 1.00 20.85 N +ATOM 1602 CA CYS B 9 43.519 45.622 6.885 1.00 19.98 C +ATOM 1603 C CYS B 9 42.842 44.895 8.082 1.00 20.20 C +ATOM 1604 O CYS B 9 43.473 43.967 8.580 1.00 20.94 O +ATOM 1605 CB CYS B 9 43.379 44.690 5.677 1.00 21.42 C +ATOM 1606 SG CYS B 9 41.676 44.576 5.078 1.00 23.54 S +ATOM 1607 N ALA B 10 41.674 45.359 8.453 1.00 19.39 N +ATOM 1608 CA ALA B 10 40.958 44.662 9.547 1.00 17.39 C +ATOM 1609 C ALA B 10 39.814 43.854 8.871 1.00 17.39 C +ATOM 1610 O ALA B 10 39.320 44.201 7.820 1.00 18.81 O +ATOM 1611 CB ALA B 10 40.334 45.659 10.494 1.00 18.88 C +ATOM 1612 N VAL B 11 39.458 42.778 9.564 1.00 16.46 N +ATOM 1613 CA VAL B 11 38.380 41.916 9.108 1.00 17.83 C +ATOM 1614 C VAL B 11 37.408 41.788 10.319 1.00 17.32 C +ATOM 1615 O VAL B 11 37.858 41.422 11.408 1.00 19.28 O +ATOM 1616 CB VAL B 11 38.858 40.538 8.731 1.00 16.86 C +ATOM 1617 CG1 VAL B 11 37.720 39.559 8.410 1.00 18.83 C +ATOM 1618 CG2 VAL B 11 39.830 40.589 7.521 1.00 18.79 C +ATOM 1619 N VAL B 12 36.157 42.055 10.048 1.00 16.90 N +ATOM 1620 CA VAL B 12 35.144 41.904 11.117 1.00 18.89 C +ATOM 1621 C VAL B 12 34.155 40.829 10.674 1.00 22.42 C +ATOM 1622 O VAL B 12 33.369 41.088 9.757 1.00 23.34 O +ATOM 1623 CB VAL B 12 34.390 43.230 11.311 1.00 20.44 C +ATOM 1624 CG1 VAL B 12 33.257 43.014 12.350 1.00 21.90 C +ATOM 1625 CG2 VAL B 12 35.359 44.313 11.806 1.00 20.65 C +ATOM 1626 N PRO B 13 34.189 39.638 11.263 1.00 23.03 N +ATOM 1627 CA PRO B 13 33.236 38.579 10.910 1.00 24.23 C +ATOM 1628 C PRO B 13 31.881 39.050 11.464 1.00 27.74 C +ATOM 1629 O PRO B 13 31.787 39.487 12.623 1.00 30.42 O +ATOM 1630 CB PRO B 13 33.753 37.365 11.628 1.00 27.86 C +ATOM 1631 CG PRO B 13 35.093 37.704 12.167 1.00 25.46 C +ATOM 1632 CD PRO B 13 35.127 39.222 12.315 1.00 22.48 C +ATOM 1633 N ALA B 14 30.877 39.159 10.615 1.00 26.38 N +ATOM 1634 CA ALA B 14 29.571 39.682 11.021 1.00 28.36 C +ATOM 1635 C ALA B 14 28.419 38.841 10.490 1.00 30.70 C +ATOM 1636 O ALA B 14 27.418 39.345 9.988 1.00 30.06 O +ATOM 1637 CB ALA B 14 29.459 41.131 10.516 1.00 29.56 C +ATOM 1638 N ALA B 15 28.627 37.526 10.458 1.00 28.78 N +ATOM 1639 CA ALA B 15 27.606 36.602 9.970 1.00 33.45 C +ATOM 1640 C ALA B 15 26.401 36.548 10.895 1.00 33.01 C +ATOM 1641 O ALA B 15 26.450 37.035 12.019 1.00 34.81 O +ATOM 1642 CB ALA B 15 28.195 35.182 9.905 1.00 33.81 C +ATOM 1643 N GLY B 16 25.317 35.896 10.437 1.00 35.85 N +ATOM 1644 CA GLY B 16 24.164 35.742 11.305 1.00 35.80 C +ATOM 1645 C GLY B 16 22.880 36.341 10.863 1.00 39.68 C +ATOM 1646 O GLY B 16 21.799 36.009 11.415 1.00 39.03 O +ATOM 1647 N PHE B 17 22.880 37.268 9.913 1.00 40.20 N +ATOM 1648 CA PHE B 17 21.638 37.910 9.503 1.00 42.13 C +ATOM 1649 C PHE B 17 21.220 37.606 8.092 1.00 42.92 C +ATOM 1650 O PHE B 17 20.513 38.419 7.473 1.00 42.94 O +ATOM 1651 CB PHE B 17 21.737 39.425 9.738 1.00 43.99 C +ATOM 1652 CG PHE B 17 21.490 39.776 11.185 1.00 47.48 C +ATOM 1653 CD1 PHE B 17 22.517 39.665 12.107 1.00 49.75 C +ATOM 1654 CD2 PHE B 17 20.251 40.210 11.603 1.00 49.16 C +ATOM 1655 CE1 PHE B 17 22.306 39.968 13.433 1.00 49.87 C +ATOM 1656 CE2 PHE B 17 20.035 40.544 12.936 1.00 52.04 C +ATOM 1657 CZ PHE B 17 21.061 40.412 13.843 1.00 51.89 C +ATOM 1658 N GLY B 18 21.570 36.440 7.580 1.00 42.78 N +ATOM 1659 CA GLY B 18 21.178 36.067 6.214 1.00 44.54 C +ATOM 1660 C GLY B 18 20.113 34.960 6.283 1.00 45.01 C +ATOM 1661 O GLY B 18 19.445 34.884 7.331 1.00 43.79 O +ATOM 1662 N PRO B 26 23.109 37.243 17.040 1.00 42.66 N +ATOM 1663 CA PRO B 26 24.209 38.196 17.243 1.00 41.94 C +ATOM 1664 C PRO B 26 23.636 39.573 17.518 1.00 40.44 C +ATOM 1665 O PRO B 26 22.576 39.936 17.000 1.00 39.74 O +ATOM 1666 CB PRO B 26 25.023 38.140 15.970 1.00 42.32 C +ATOM 1667 CG PRO B 26 24.646 36.856 15.315 1.00 42.41 C +ATOM 1668 CD PRO B 26 23.182 36.661 15.670 1.00 42.80 C +ATOM 1669 N LYS B 27 24.330 40.323 18.374 1.00 37.83 N +ATOM 1670 CA LYS B 27 23.822 41.635 18.783 1.00 36.03 C +ATOM 1671 C LYS B 27 24.547 42.795 18.156 1.00 34.79 C +ATOM 1672 O LYS B 27 24.419 43.922 18.644 1.00 35.28 O +ATOM 1673 CB LYS B 27 23.993 41.693 20.332 1.00 40.46 C +ATOM 1674 CG LYS B 27 23.415 40.432 21.009 1.00 36.35 C +ATOM 1675 N GLN B 28 25.157 42.600 16.979 1.00 32.30 N +ATOM 1676 CA GLN B 28 25.886 43.674 16.321 1.00 32.03 C +ATOM 1677 C GLN B 28 25.015 44.804 15.837 1.00 31.17 C +ATOM 1678 O GLN B 28 25.487 45.906 15.564 1.00 30.19 O +ATOM 1679 CB GLN B 28 26.712 43.131 15.126 1.00 30.95 C +ATOM 1680 CG GLN B 28 25.837 42.653 13.968 1.00 36.94 C +ATOM 1681 CD GLN B 28 26.438 41.523 13.168 1.00 42.25 C +ATOM 1682 OE1 GLN B 28 27.080 40.623 13.693 1.00 43.75 O +ATOM 1683 NE2 GLN B 28 26.254 41.554 11.838 1.00 44.18 N +ATOM 1684 N TYR B 29 23.714 44.533 15.623 1.00 30.47 N +ATOM 1685 CA TYR B 29 22.833 45.549 15.116 1.00 32.83 C +ATOM 1686 C TYR B 29 22.042 46.282 16.197 1.00 33.41 C +ATOM 1687 O TYR B 29 21.137 47.037 15.790 1.00 34.90 O +ATOM 1688 CB TYR B 29 21.934 45.034 13.994 1.00 32.93 C +ATOM 1689 CG TYR B 29 22.703 44.660 12.743 1.00 31.19 C +ATOM 1690 CD1 TYR B 29 22.659 43.382 12.223 1.00 34.21 C +ATOM 1691 CD2 TYR B 29 23.519 45.600 12.101 1.00 32.52 C +ATOM 1692 CE1 TYR B 29 23.356 43.034 11.062 1.00 32.61 C +ATOM 1693 CE2 TYR B 29 24.221 45.252 10.971 1.00 34.30 C +ATOM 1694 CZ TYR B 29 24.123 43.992 10.444 1.00 34.84 C +ATOM 1695 OH TYR B 29 24.840 43.664 9.308 1.00 37.45 O +ATOM 1696 N LEU B 30 22.316 46.004 17.438 1.00 34.38 N +ATOM 1697 CA LEU B 30 21.753 46.745 18.583 1.00 35.93 C +ATOM 1698 C LEU B 30 22.422 48.134 18.556 1.00 36.79 C +ATOM 1699 O LEU B 30 23.527 48.246 18.007 1.00 33.98 O +ATOM 1700 CB LEU B 30 22.168 46.052 19.887 1.00 38.48 C +ATOM 1701 CG LEU B 30 21.258 44.968 20.440 1.00 40.55 C +ATOM 1702 CD1 LEU B 30 21.922 44.154 21.536 1.00 40.62 C +ATOM 1703 CD2 LEU B 30 19.976 45.609 20.989 1.00 44.78 C +ATOM 1704 N SER B 31 21.775 49.188 19.019 1.00 37.28 N +ATOM 1705 CA SER B 31 22.363 50.516 18.992 1.00 35.72 C +ATOM 1706 C SER B 31 22.797 51.006 20.377 1.00 34.63 C +ATOM 1707 O SER B 31 22.351 50.497 21.413 1.00 35.91 O +ATOM 1708 CB SER B 31 21.391 51.529 18.382 1.00 33.54 C +ATOM 1709 OG SER B 31 21.317 51.459 16.976 1.00 37.48 O +ATOM 1710 N ILE B 32 23.803 51.844 20.409 1.00 32.30 N +ATOM 1711 CA ILE B 32 24.343 52.544 21.547 1.00 30.11 C +ATOM 1712 C ILE B 32 24.440 54.018 21.053 1.00 30.50 C +ATOM 1713 O ILE B 32 25.189 54.320 20.125 1.00 25.21 O +ATOM 1714 CB ILE B 32 25.668 52.129 22.130 1.00 27.87 C +ATOM 1715 CG1 ILE B 32 25.611 50.723 22.762 1.00 32.71 C +ATOM 1716 CG2 ILE B 32 26.163 53.127 23.178 1.00 29.02 C +ATOM 1717 CD1 ILE B 32 27.021 50.157 22.948 1.00 32.54 C +ATOM 1718 N GLY B 33 23.584 54.848 21.625 1.00 29.45 N +ATOM 1719 CA GLY B 33 23.583 56.265 21.166 1.00 31.78 C +ATOM 1720 C GLY B 33 22.931 56.280 19.767 1.00 33.50 C +ATOM 1721 O GLY B 33 21.928 55.585 19.586 1.00 36.28 O +ATOM 1722 N ASN B 34 23.572 56.903 18.826 1.00 32.70 N +ATOM 1723 CA ASN B 34 23.191 57.074 17.461 1.00 36.43 C +ATOM 1724 C ASN B 34 23.789 56.062 16.474 1.00 32.99 C +ATOM 1725 O ASN B 34 23.590 56.248 15.265 1.00 32.77 O +ATOM 1726 CB ASN B 34 23.594 58.492 16.964 1.00 37.42 C +ATOM 1727 CG ASN B 34 25.048 58.717 16.741 1.00 42.78 C +ATOM 1728 OD1 ASN B 34 25.941 57.884 16.925 1.00 47.46 O +ATOM 1729 ND2 ASN B 34 25.434 59.928 16.282 1.00 45.13 N +ATOM 1730 N GLN B 35 24.577 55.121 16.940 1.00 30.70 N +ATOM 1731 CA GLN B 35 25.184 54.117 16.037 1.00 32.90 C +ATOM 1732 C GLN B 35 24.917 52.701 16.476 1.00 28.20 C +ATOM 1733 O GLN B 35 24.781 52.472 17.675 1.00 30.55 O +ATOM 1734 CB GLN B 35 26.748 54.298 16.183 1.00 28.78 C +ATOM 1735 CG GLN B 35 27.241 55.487 15.361 1.00 35.93 C +ATOM 1736 CD GLN B 35 28.755 55.635 15.554 1.00 37.59 C +ATOM 1737 OE1 GLN B 35 29.272 56.737 15.520 1.00 47.01 O +ATOM 1738 NE2 GLN B 35 29.427 54.524 15.786 1.00 36.61 N +ATOM 1739 N THR B 36 25.004 51.726 15.555 1.00 26.33 N +ATOM 1740 CA THR B 36 24.871 50.331 15.961 1.00 26.08 C +ATOM 1741 C THR B 36 26.212 49.903 16.623 1.00 23.49 C +ATOM 1742 O THR B 36 27.222 50.555 16.353 1.00 23.56 O +ATOM 1743 CB THR B 36 24.660 49.374 14.781 1.00 30.73 C +ATOM 1744 OG1 THR B 36 25.800 49.484 13.885 1.00 30.54 O +ATOM 1745 CG2 THR B 36 23.389 49.747 14.018 1.00 29.21 C +ATOM 1746 N ILE B 37 26.193 48.818 17.328 1.00 22.33 N +ATOM 1747 CA ILE B 37 27.408 48.286 17.976 1.00 24.46 C +ATOM 1748 C ILE B 37 28.461 47.987 16.926 1.00 21.85 C +ATOM 1749 O ILE B 37 29.644 48.293 17.094 1.00 21.85 O +ATOM 1750 CB ILE B 37 27.056 46.996 18.752 1.00 27.68 C +ATOM 1751 CG1 ILE B 37 26.370 47.447 20.078 1.00 29.53 C +ATOM 1752 CG2 ILE B 37 28.256 46.144 19.055 1.00 25.35 C +ATOM 1753 CD1 ILE B 37 25.711 46.239 20.756 1.00 33.23 C +ATOM 1754 N LEU B 38 27.987 47.424 15.796 1.00 22.66 N +ATOM 1755 CA LEU B 38 28.972 47.132 14.721 1.00 20.81 C +ATOM 1756 C LEU B 38 29.604 48.420 14.262 1.00 22.58 C +ATOM 1757 O LEU B 38 30.825 48.471 14.020 1.00 21.07 O +ATOM 1758 CB LEU B 38 28.271 46.406 13.575 1.00 23.78 C +ATOM 1759 CG LEU B 38 29.064 46.247 12.275 1.00 26.94 C +ATOM 1760 CD1 LEU B 38 30.208 45.273 12.476 1.00 25.40 C +ATOM 1761 CD2 LEU B 38 28.127 45.726 11.168 1.00 27.31 C +ATOM 1762 N GLU B 39 28.862 49.529 14.131 1.00 20.86 N +ATOM 1763 CA GLU B 39 29.499 50.788 13.718 1.00 21.35 C +ATOM 1764 C GLU B 39 30.470 51.310 14.757 1.00 21.45 C +ATOM 1765 O GLU B 39 31.549 51.813 14.393 1.00 22.51 O +ATOM 1766 CB GLU B 39 28.393 51.837 13.442 1.00 23.81 C +ATOM 1767 CG GLU B 39 27.649 51.373 12.151 1.00 25.25 C +ATOM 1768 CD GLU B 39 26.450 52.324 11.899 1.00 26.70 C +ATOM 1769 OE1 GLU B 39 26.618 53.153 11.020 1.00 31.50 O +ATOM 1770 OE2 GLU B 39 25.445 52.148 12.599 1.00 26.34 O +ATOM 1771 N HIS B 40 30.140 51.172 16.039 1.00 18.33 N +ATOM 1772 CA HIS B 40 31.096 51.619 17.071 1.00 19.74 C +ATOM 1773 C HIS B 40 32.391 50.775 16.960 1.00 21.29 C +ATOM 1774 O HIS B 40 33.502 51.316 17.063 1.00 20.72 O +ATOM 1775 CB HIS B 40 30.509 51.432 18.467 1.00 19.27 C +ATOM 1776 CG HIS B 40 29.468 52.469 18.851 1.00 22.68 C +ATOM 1777 ND1 HIS B 40 29.802 53.728 19.262 1.00 26.80 N +ATOM 1778 CD2 HIS B 40 28.134 52.360 18.958 1.00 22.57 C +ATOM 1779 CE1 HIS B 40 28.690 54.380 19.621 1.00 26.28 C +ATOM 1780 NE2 HIS B 40 27.676 53.568 19.453 1.00 24.27 N +ATOM 1781 N SER B 41 32.235 49.478 16.746 1.00 20.83 N +ATOM 1782 CA SER B 41 33.378 48.573 16.651 1.00 21.25 C +ATOM 1783 C SER B 41 34.229 48.929 15.448 1.00 21.11 C +ATOM 1784 O SER B 41 35.451 49.002 15.565 1.00 21.51 O +ATOM 1785 CB SER B 41 32.976 47.103 16.564 1.00 19.97 C +ATOM 1786 OG SER B 41 32.165 46.744 17.652 1.00 23.99 O +ATOM 1787 N VAL B 42 33.581 49.268 14.316 1.00 19.83 N +ATOM 1788 CA VAL B 42 34.397 49.587 13.128 1.00 21.49 C +ATOM 1789 C VAL B 42 35.083 50.918 13.254 1.00 23.39 C +ATOM 1790 O VAL B 42 36.278 51.068 12.875 1.00 21.62 O +ATOM 1791 CB VAL B 42 33.526 49.504 11.860 1.00 26.36 C +ATOM 1792 CG1 VAL B 42 34.220 50.038 10.624 1.00 25.27 C +ATOM 1793 CG2 VAL B 42 33.099 48.041 11.644 1.00 24.57 C +ATOM 1794 N HIS B 43 34.412 51.926 13.820 1.00 21.55 N +ATOM 1795 CA HIS B 43 35.061 53.232 13.967 1.00 23.98 C +ATOM 1796 C HIS B 43 36.214 53.102 14.970 1.00 20.94 C +ATOM 1797 O HIS B 43 37.186 53.833 14.808 1.00 22.32 O +ATOM 1798 CB HIS B 43 34.119 54.336 14.410 1.00 26.56 C +ATOM 1799 CG HIS B 43 33.215 54.797 13.279 1.00 30.42 C +ATOM 1800 ND1 HIS B 43 33.685 55.384 12.120 1.00 29.69 N +ATOM 1801 CD2 HIS B 43 31.871 54.711 13.168 1.00 31.88 C +ATOM 1802 CE1 HIS B 43 32.643 55.613 11.321 1.00 30.27 C +ATOM 1803 NE2 HIS B 43 31.535 55.236 11.937 1.00 28.58 N +ATOM 1804 N ALA B 44 36.122 52.205 15.934 1.00 21.33 N +ATOM 1805 CA ALA B 44 37.248 52.014 16.883 1.00 19.16 C +ATOM 1806 C ALA B 44 38.486 51.498 16.145 1.00 21.05 C +ATOM 1807 O ALA B 44 39.611 51.942 16.458 1.00 20.29 O +ATOM 1808 CB ALA B 44 36.847 51.027 17.978 1.00 18.65 C +ATOM 1809 N LEU B 45 38.296 50.656 15.121 1.00 18.67 N +ATOM 1810 CA LEU B 45 39.406 50.156 14.321 1.00 18.70 C +ATOM 1811 C LEU B 45 39.988 51.264 13.430 1.00 20.43 C +ATOM 1812 O LEU B 45 41.200 51.272 13.173 1.00 22.88 O +ATOM 1813 CB LEU B 45 38.941 49.001 13.390 1.00 18.84 C +ATOM 1814 CG LEU B 45 38.463 47.740 14.171 1.00 20.67 C +ATOM 1815 CD1 LEU B 45 37.632 46.849 13.246 1.00 21.06 C +ATOM 1816 CD2 LEU B 45 39.630 46.985 14.747 1.00 21.13 C +ATOM 1817 N LEU B 46 39.144 52.132 12.898 1.00 19.84 N +ATOM 1818 CA LEU B 46 39.601 53.214 12.028 1.00 21.39 C +ATOM 1819 C LEU B 46 40.319 54.348 12.766 1.00 18.37 C +ATOM 1820 O LEU B 46 40.899 55.229 12.110 1.00 22.07 O +ATOM 1821 CB LEU B 46 38.390 53.800 11.278 1.00 20.68 C +ATOM 1822 CG LEU B 46 37.793 52.883 10.210 1.00 24.05 C +ATOM 1823 CD1 LEU B 46 36.496 53.443 9.677 1.00 28.76 C +ATOM 1824 CD2 LEU B 46 38.811 52.616 9.119 1.00 24.56 C +ATOM 1825 N ALA B 47 40.377 54.349 14.091 1.00 22.34 N +ATOM 1826 CA ALA B 47 41.103 55.389 14.815 1.00 20.00 C +ATOM 1827 C ALA B 47 42.607 55.376 14.514 1.00 20.88 C +ATOM 1828 O ALA B 47 43.228 56.443 14.691 1.00 23.22 O +ATOM 1829 CB ALA B 47 40.939 55.250 16.316 1.00 20.85 C +ATOM 1830 N HIS B 48 43.204 54.252 14.253 1.00 19.42 N +ATOM 1831 CA HIS B 48 44.628 54.161 13.956 1.00 20.87 C +ATOM 1832 C HIS B 48 44.879 54.363 12.469 1.00 21.95 C +ATOM 1833 O HIS B 48 44.382 53.593 11.628 1.00 22.87 O +ATOM 1834 CB HIS B 48 45.204 52.825 14.394 1.00 23.62 C +ATOM 1835 CG HIS B 48 46.698 52.826 14.554 1.00 22.62 C +ATOM 1836 ND1 HIS B 48 47.597 52.975 13.518 1.00 25.72 N +ATOM 1837 CD2 HIS B 48 47.447 52.733 15.683 1.00 25.64 C +ATOM 1838 CE1 HIS B 48 48.820 52.956 13.978 1.00 23.84 C +ATOM 1839 NE2 HIS B 48 48.764 52.783 15.313 1.00 23.56 N +ATOM 1840 N PRO B 49 45.764 55.298 12.120 1.00 22.01 N +ATOM 1841 CA PRO B 49 46.048 55.574 10.715 1.00 23.77 C +ATOM 1842 C PRO B 49 46.649 54.468 9.929 1.00 24.95 C +ATOM 1843 O PRO B 49 46.473 54.458 8.669 1.00 23.89 O +ATOM 1844 CB PRO B 49 46.928 56.840 10.771 1.00 26.77 C +ATOM 1845 CG PRO B 49 47.528 56.812 12.115 1.00 26.50 C +ATOM 1846 CD PRO B 49 46.476 56.202 13.040 1.00 23.79 C +ATOM 1847 N ARG B 50 47.201 53.405 10.516 1.00 24.13 N +ATOM 1848 CA ARG B 50 47.728 52.282 9.766 1.00 23.23 C +ATOM 1849 C ARG B 50 46.594 51.417 9.204 1.00 23.17 C +ATOM 1850 O ARG B 50 46.859 50.653 8.281 1.00 23.13 O +ATOM 1851 CB ARG B 50 48.638 51.346 10.561 1.00 24.15 C +ATOM 1852 CG ARG B 50 50.044 51.886 10.738 1.00 29.30 C +ATOM 1853 CD ARG B 50 50.913 50.975 11.555 1.00 28.77 C +ATOM 1854 NE ARG B 50 51.073 49.639 10.993 1.00 29.11 N +ATOM 1855 CZ ARG B 50 51.549 48.605 11.661 1.00 27.83 C +ATOM 1856 NH1 ARG B 50 51.931 48.715 12.938 1.00 27.92 N +ATOM 1857 NH2 ARG B 50 51.652 47.428 11.046 1.00 30.32 N +ATOM 1858 N VAL B 51 45.428 51.484 9.848 1.00 23.93 N +ATOM 1859 CA VAL B 51 44.301 50.651 9.351 1.00 20.52 C +ATOM 1860 C VAL B 51 43.746 51.347 8.127 1.00 21.26 C +ATOM 1861 O VAL B 51 43.135 52.419 8.184 1.00 22.63 O +ATOM 1862 CB VAL B 51 43.216 50.539 10.451 1.00 19.37 C +ATOM 1863 CG1 VAL B 51 42.055 49.707 9.903 1.00 21.69 C +ATOM 1864 CG2 VAL B 51 43.833 49.883 11.677 1.00 17.12 C +ATOM 1865 N LYS B 52 43.974 50.727 6.977 1.00 22.49 N +ATOM 1866 CA LYS B 52 43.539 51.385 5.726 1.00 23.73 C +ATOM 1867 C LYS B 52 42.180 50.928 5.265 1.00 24.46 C +ATOM 1868 O LYS B 52 41.606 51.528 4.334 1.00 21.72 O +ATOM 1869 CB LYS B 52 44.563 50.921 4.643 1.00 28.42 C +ATOM 1870 CG LYS B 52 45.979 51.289 4.947 1.00 34.28 C +ATOM 1871 CD LYS B 52 46.212 52.707 5.397 1.00 39.18 C +ATOM 1872 CE LYS B 52 47.732 52.975 5.437 1.00 39.58 C +ATOM 1873 NZ LYS B 52 48.030 54.223 6.193 1.00 45.12 N +ATOM 1874 N ARG B 53 41.779 49.746 5.739 1.00 21.15 N +ATOM 1875 CA ARG B 53 40.493 49.221 5.234 1.00 21.80 C +ATOM 1876 C ARG B 53 39.859 48.288 6.264 1.00 19.79 C +ATOM 1877 O ARG B 53 40.582 47.734 7.091 1.00 21.07 O +ATOM 1878 CB ARG B 53 40.873 48.408 3.967 1.00 25.17 C +ATOM 1879 CG ARG B 53 40.037 47.212 3.659 1.00 35.79 C +ATOM 1880 CD ARG B 53 39.867 47.037 2.136 1.00 41.49 C +ATOM 1881 NE ARG B 53 38.736 47.875 1.764 1.00 45.37 N +ATOM 1882 CZ ARG B 53 38.804 49.124 1.286 1.00 36.97 C +ATOM 1883 NH1 ARG B 53 39.966 49.680 1.109 1.00 42.60 N +ATOM 1884 NH2 ARG B 53 37.640 49.740 1.102 1.00 24.65 N +ATOM 1885 N VAL B 54 38.544 48.272 6.296 1.00 19.50 N +ATOM 1886 CA VAL B 54 37.836 47.315 7.175 1.00 18.26 C +ATOM 1887 C VAL B 54 36.912 46.476 6.271 1.00 18.56 C +ATOM 1888 O VAL B 54 36.034 47.010 5.581 1.00 21.75 O +ATOM 1889 CB VAL B 54 37.068 47.954 8.322 1.00 18.59 C +ATOM 1890 CG1 VAL B 54 36.502 46.847 9.217 1.00 19.91 C +ATOM 1891 CG2 VAL B 54 37.954 48.856 9.174 1.00 19.45 C +ATOM 1892 N VAL B 55 37.158 45.182 6.252 1.00 20.17 N +ATOM 1893 CA VAL B 55 36.389 44.235 5.457 1.00 17.21 C +ATOM 1894 C VAL B 55 35.354 43.606 6.401 1.00 21.05 C +ATOM 1895 O VAL B 55 35.759 42.980 7.389 1.00 20.41 O +ATOM 1896 CB VAL B 55 37.274 43.169 4.845 1.00 18.27 C +ATOM 1897 CG1 VAL B 55 36.393 42.213 3.978 1.00 21.12 C +ATOM 1898 CG2 VAL B 55 38.306 43.763 3.886 1.00 18.88 C +ATOM 1899 N ILE B 56 34.084 43.772 6.102 1.00 19.52 N +ATOM 1900 CA ILE B 56 33.027 43.201 6.935 1.00 19.01 C +ATOM 1901 C ILE B 56 32.447 41.975 6.202 1.00 20.58 C +ATOM 1902 O ILE B 56 32.038 42.109 5.065 1.00 20.38 O +ATOM 1903 CB ILE B 56 31.888 44.238 7.114 1.00 23.17 C +ATOM 1904 CG1 ILE B 56 32.432 45.587 7.577 1.00 28.26 C +ATOM 1905 CG2 ILE B 56 30.849 43.693 8.084 1.00 22.69 C +ATOM 1906 CD1 ILE B 56 32.887 45.670 8.971 1.00 33.18 C +ATOM 1907 N ALA B 57 32.514 40.812 6.842 1.00 19.98 N +ATOM 1908 CA ALA B 57 32.018 39.594 6.173 1.00 20.55 C +ATOM 1909 C ALA B 57 30.625 39.304 6.687 1.00 22.79 C +ATOM 1910 O ALA B 57 30.462 38.992 7.863 1.00 22.87 O +ATOM 1911 CB ALA B 57 33.014 38.464 6.375 1.00 22.34 C +ATOM 1912 N ILE B 58 29.622 39.458 5.812 1.00 22.52 N +ATOM 1913 CA ILE B 58 28.232 39.244 6.257 1.00 24.44 C +ATOM 1914 C ILE B 58 27.689 37.956 5.654 1.00 27.68 C +ATOM 1915 O ILE B 58 28.315 37.369 4.772 1.00 26.36 O +ATOM 1916 CB ILE B 58 27.350 40.431 5.849 1.00 27.52 C +ATOM 1917 CG1 ILE B 58 27.346 40.601 4.322 1.00 30.05 C +ATOM 1918 CG2 ILE B 58 27.814 41.718 6.519 1.00 29.51 C +ATOM 1919 CD1 ILE B 58 26.384 41.656 3.800 1.00 33.80 C +ATOM 1920 N SER B 59 26.577 37.438 6.225 1.00 27.14 N +ATOM 1921 CA SER B 59 26.026 36.210 5.675 1.00 28.80 C +ATOM 1922 C SER B 59 25.216 36.480 4.393 1.00 28.41 C +ATOM 1923 O SER B 59 24.535 37.478 4.307 1.00 29.47 O +ATOM 1924 CB SER B 59 24.992 35.575 6.673 1.00 28.55 C +ATOM 1925 OG SER B 59 25.748 35.116 7.796 1.00 29.80 O +ATOM 1926 N PRO B 60 25.298 35.542 3.476 1.00 31.12 N +ATOM 1927 CA PRO B 60 24.523 35.671 2.225 1.00 34.31 C +ATOM 1928 C PRO B 60 23.075 35.928 2.631 1.00 32.77 C +ATOM 1929 O PRO B 60 22.578 35.257 3.547 1.00 35.62 O +ATOM 1930 CB PRO B 60 24.693 34.318 1.568 1.00 34.78 C +ATOM 1931 CG PRO B 60 25.993 33.792 2.090 1.00 34.27 C +ATOM 1932 CD PRO B 60 26.142 34.349 3.483 1.00 32.87 C +ATOM 1933 N GLY B 61 22.470 36.991 2.149 1.00 35.12 N +ATOM 1934 CA GLY B 61 21.066 37.271 2.505 1.00 36.41 C +ATOM 1935 C GLY B 61 20.917 38.381 3.494 1.00 36.13 C +ATOM 1936 O GLY B 61 19.805 38.782 3.886 1.00 35.82 O +ATOM 1937 N ASP B 62 22.053 38.825 4.077 1.00 34.90 N +ATOM 1938 CA ASP B 62 21.965 39.917 5.058 1.00 34.84 C +ATOM 1939 C ASP B 62 21.699 41.223 4.313 1.00 36.27 C +ATOM 1940 O ASP B 62 22.483 41.610 3.459 1.00 34.97 O +ATOM 1941 CB ASP B 62 23.271 40.007 5.854 1.00 32.56 C +ATOM 1942 CG ASP B 62 23.361 41.137 6.830 1.00 36.12 C +ATOM 1943 OD1 ASP B 62 22.673 42.156 6.608 1.00 38.63 O +ATOM 1944 OD2 ASP B 62 24.128 41.051 7.827 1.00 31.22 O +ATOM 1945 N SER B 63 20.519 41.806 4.548 1.00 35.72 N +ATOM 1946 CA SER B 63 20.218 43.092 3.902 1.00 35.95 C +ATOM 1947 C SER B 63 20.214 44.163 4.989 1.00 36.38 C +ATOM 1948 O SER B 63 19.828 45.305 4.771 1.00 36.97 O +ATOM 1949 CB SER B 63 18.852 43.041 3.203 1.00 38.17 C +ATOM 1950 OG SER B 63 17.886 42.489 4.121 1.00 39.51 O +ATOM 1951 N ARG B 64 20.631 43.777 6.206 1.00 35.68 N +ATOM 1952 CA ARG B 64 20.637 44.738 7.312 1.00 36.18 C +ATOM 1953 C ARG B 64 21.789 45.716 7.192 1.00 35.98 C +ATOM 1954 O ARG B 64 21.634 46.931 7.330 1.00 36.04 O +ATOM 1955 CB ARG B 64 20.699 44.002 8.657 1.00 40.15 C +ATOM 1956 N PHE B 65 22.986 45.184 6.907 1.00 32.78 N +ATOM 1957 CA PHE B 65 24.167 46.000 6.773 1.00 28.88 C +ATOM 1958 C PHE B 65 24.042 47.144 5.794 1.00 29.25 C +ATOM 1959 O PHE B 65 24.480 48.273 6.071 1.00 26.93 O +ATOM 1960 CB PHE B 65 25.394 45.118 6.372 1.00 28.93 C +ATOM 1961 CG PHE B 65 26.645 45.977 6.509 1.00 31.22 C +ATOM 1962 CD1 PHE B 65 27.224 46.150 7.750 1.00 30.85 C +ATOM 1963 CD2 PHE B 65 27.175 46.615 5.405 1.00 32.17 C +ATOM 1964 CE1 PHE B 65 28.332 46.964 7.884 1.00 30.39 C +ATOM 1965 CE2 PHE B 65 28.293 47.426 5.533 1.00 30.92 C +ATOM 1966 CZ PHE B 65 28.876 47.594 6.780 1.00 31.60 C +ATOM 1967 N ALA B 66 23.397 46.937 4.631 1.00 30.58 N +ATOM 1968 CA ALA B 66 23.225 47.940 3.623 1.00 31.33 C +ATOM 1969 C ALA B 66 22.420 49.160 4.065 1.00 32.51 C +ATOM 1970 O ALA B 66 22.515 50.201 3.418 1.00 34.99 O +ATOM 1971 CB ALA B 66 22.589 47.355 2.356 1.00 32.66 C +ATOM 1972 N GLN B 67 21.724 49.058 5.166 1.00 34.13 N +ATOM 1973 CA GLN B 67 20.907 50.087 5.759 1.00 35.53 C +ATOM 1974 C GLN B 67 21.680 51.047 6.632 1.00 35.88 C +ATOM 1975 O GLN B 67 21.222 52.151 6.928 1.00 36.13 O +ATOM 1976 CB GLN B 67 19.765 49.448 6.567 1.00 37.46 C +ATOM 1977 N LEU B 68 22.914 50.686 7.039 1.00 34.80 N +ATOM 1978 CA LEU B 68 23.686 51.566 7.877 1.00 33.90 C +ATOM 1979 C LEU B 68 24.395 52.681 7.137 1.00 32.52 C +ATOM 1980 O LEU B 68 24.927 52.538 6.019 1.00 32.68 O +ATOM 1981 CB LEU B 68 24.784 50.740 8.629 1.00 29.74 C +ATOM 1982 CG LEU B 68 24.302 49.473 9.306 1.00 32.12 C +ATOM 1983 CD1 LEU B 68 25.471 48.734 9.970 1.00 32.77 C +ATOM 1984 CD2 LEU B 68 23.227 49.767 10.341 1.00 33.07 C +ATOM 1985 N PRO B 69 24.630 53.788 7.845 1.00 31.80 N +ATOM 1986 CA PRO B 69 25.386 54.907 7.311 1.00 30.38 C +ATOM 1987 C PRO B 69 26.795 54.419 6.933 1.00 31.87 C +ATOM 1988 O PRO B 69 27.415 54.874 6.007 1.00 31.30 O +ATOM 1989 CB PRO B 69 25.497 55.859 8.503 1.00 33.71 C +ATOM 1990 CG PRO B 69 24.303 55.553 9.346 1.00 34.08 C +ATOM 1991 CD PRO B 69 24.101 54.056 9.198 1.00 32.98 C +ATOM 1992 N LEU B 70 27.303 53.448 7.717 1.00 31.64 N +ATOM 1993 CA LEU B 70 28.625 52.868 7.484 1.00 32.42 C +ATOM 1994 C LEU B 70 28.747 52.197 6.149 1.00 29.88 C +ATOM 1995 O LEU B 70 29.831 52.155 5.538 1.00 32.40 O +ATOM 1996 CB LEU B 70 28.937 51.842 8.608 1.00 29.83 C +ATOM 1997 CG LEU B 70 30.367 51.289 8.594 1.00 29.53 C +ATOM 1998 CD1 LEU B 70 31.364 52.357 9.017 1.00 29.81 C +ATOM 1999 CD2 LEU B 70 30.501 50.050 9.460 1.00 28.91 C +ATOM 2000 N ALA B 71 27.650 51.709 5.541 1.00 31.49 N +ATOM 2001 CA ALA B 71 27.753 51.061 4.232 1.00 31.82 C +ATOM 2002 C ALA B 71 28.280 51.976 3.145 1.00 34.60 C +ATOM 2003 O ALA B 71 28.764 51.499 2.105 1.00 34.87 O +ATOM 2004 CB ALA B 71 26.405 50.461 3.829 1.00 38.69 C +ATOM 2005 N ASN B 72 28.236 53.306 3.330 1.00 33.92 N +ATOM 2006 CA ASN B 72 28.785 54.192 2.295 1.00 34.78 C +ATOM 2007 C ASN B 72 30.160 54.708 2.660 1.00 31.24 C +ATOM 2008 O ASN B 72 30.707 55.589 1.998 1.00 31.21 O +ATOM 2009 CB ASN B 72 27.831 55.351 2.012 1.00 45.41 C +ATOM 2010 CG ASN B 72 26.562 54.905 1.312 1.00 50.80 C +ATOM 2011 OD1 ASN B 72 25.527 55.564 1.435 1.00 58.06 O +ATOM 2012 ND2 ASN B 72 26.623 53.791 0.593 1.00 53.59 N +ATOM 2013 N HIS B 73 30.815 54.145 3.682 1.00 29.41 N +ATOM 2014 CA HIS B 73 32.168 54.652 4.044 1.00 28.99 C +ATOM 2015 C HIS B 73 33.185 54.196 3.035 1.00 29.37 C +ATOM 2016 O HIS B 73 33.203 53.007 2.653 1.00 27.09 O +ATOM 2017 CB HIS B 73 32.469 54.075 5.455 1.00 26.16 C +ATOM 2018 CG HIS B 73 33.598 54.780 6.144 1.00 25.86 C +ATOM 2019 ND1 HIS B 73 34.890 54.735 5.717 1.00 26.84 N +ATOM 2020 CD2 HIS B 73 33.595 55.492 7.300 1.00 28.88 C +ATOM 2021 CE1 HIS B 73 35.671 55.408 6.561 1.00 28.61 C +ATOM 2022 NE2 HIS B 73 34.901 55.880 7.525 1.00 29.57 N +ATOM 2023 N PRO B 74 34.085 55.038 2.554 1.00 29.58 N +ATOM 2024 CA PRO B 74 35.067 54.663 1.561 1.00 31.32 C +ATOM 2025 C PRO B 74 36.086 53.643 1.990 1.00 29.40 C +ATOM 2026 O PRO B 74 36.644 52.937 1.132 1.00 30.86 O +ATOM 2027 CB PRO B 74 35.712 55.984 1.139 1.00 33.43 C +ATOM 2028 CG PRO B 74 35.494 56.875 2.307 1.00 32.93 C +ATOM 2029 CD PRO B 74 34.143 56.494 2.873 1.00 32.01 C +ATOM 2030 N GLN B 75 36.319 53.467 3.305 1.00 25.61 N +ATOM 2031 CA GLN B 75 37.280 52.464 3.756 1.00 24.55 C +ATOM 2032 C GLN B 75 36.635 51.138 4.158 1.00 22.63 C +ATOM 2033 O GLN B 75 37.353 50.264 4.675 1.00 23.88 O +ATOM 2034 CB GLN B 75 38.044 52.997 5.004 1.00 25.29 C +ATOM 2035 CG GLN B 75 38.876 54.237 4.578 1.00 28.93 C +ATOM 2036 CD GLN B 75 39.731 54.689 5.747 1.00 36.73 C +ATOM 2037 OE1 GLN B 75 39.267 55.415 6.626 1.00 37.63 O +ATOM 2038 NE2 GLN B 75 40.976 54.220 5.746 1.00 36.02 N +ATOM 2039 N ILE B 76 35.341 50.987 3.951 1.00 21.53 N +ATOM 2040 CA ILE B 76 34.659 49.722 4.276 1.00 22.20 C +ATOM 2041 C ILE B 76 34.464 48.888 3.034 1.00 22.84 C +ATOM 2042 O ILE B 76 34.159 49.406 1.901 1.00 21.97 O +ATOM 2043 CB ILE B 76 33.300 50.033 4.935 1.00 24.32 C +ATOM 2044 CG1 ILE B 76 33.428 50.227 6.443 1.00 27.23 C +ATOM 2045 CG2 ILE B 76 32.278 48.927 4.685 1.00 25.78 C +ATOM 2046 CD1 ILE B 76 34.598 50.959 6.994 1.00 28.11 C +ATOM 2047 N THR B 77 34.703 47.591 3.156 1.00 21.54 N +ATOM 2048 CA THR B 77 34.493 46.660 2.036 1.00 22.02 C +ATOM 2049 C THR B 77 33.608 45.535 2.575 1.00 24.10 C +ATOM 2050 O THR B 77 33.769 45.178 3.762 1.00 25.25 O +ATOM 2051 CB THR B 77 35.818 46.063 1.546 1.00 22.54 C +ATOM 2052 OG1 THR B 77 36.591 47.113 0.975 1.00 24.28 O +ATOM 2053 CG2 THR B 77 35.546 44.951 0.554 1.00 27.19 C +ATOM 2054 N VAL B 78 32.575 45.170 1.838 1.00 23.30 N +ATOM 2055 CA VAL B 78 31.645 44.129 2.325 1.00 23.23 C +ATOM 2056 C VAL B 78 31.707 42.937 1.407 1.00 23.36 C +ATOM 2057 O VAL B 78 31.634 43.070 0.157 1.00 21.02 O +ATOM 2058 CB VAL B 78 30.192 44.671 2.358 1.00 28.32 C +ATOM 2059 CG1 VAL B 78 29.194 43.617 2.787 1.00 27.30 C +ATOM 2060 CG2 VAL B 78 30.087 45.867 3.314 1.00 29.55 C +ATOM 2061 N VAL B 79 31.921 41.754 1.980 1.00 20.30 N +ATOM 2062 CA VAL B 79 31.985 40.504 1.221 1.00 19.99 C +ATOM 2063 C VAL B 79 31.085 39.498 1.925 1.00 21.55 C +ATOM 2064 O VAL B 79 30.785 39.668 3.095 1.00 22.86 O +ATOM 2065 CB VAL B 79 33.407 39.890 1.157 1.00 18.21 C +ATOM 2066 CG1 VAL B 79 34.421 40.864 0.569 1.00 17.63 C +ATOM 2067 CG2 VAL B 79 33.839 39.475 2.563 1.00 21.64 C +ATOM 2068 N ASP B 80 30.641 38.435 1.209 1.00 22.08 N +ATOM 2069 CA ASP B 80 29.858 37.444 1.927 1.00 23.19 C +ATOM 2070 C ASP B 80 30.875 36.446 2.566 1.00 22.64 C +ATOM 2071 O ASP B 80 31.852 36.127 1.918 1.00 22.75 O +ATOM 2072 CB ASP B 80 28.954 36.627 1.023 1.00 26.44 C +ATOM 2073 CG ASP B 80 27.755 37.428 0.526 1.00 25.20 C +ATOM 2074 OD1 ASP B 80 27.513 38.539 1.008 1.00 29.82 O +ATOM 2075 OD2 ASP B 80 27.057 36.858 -0.359 1.00 29.31 O +ATOM 2076 N GLY B 81 30.554 36.064 3.769 1.00 26.93 N +ATOM 2077 CA GLY B 81 31.402 35.111 4.508 1.00 31.30 C +ATOM 2078 C GLY B 81 30.712 33.752 4.550 1.00 36.91 C +ATOM 2079 O GLY B 81 29.778 33.533 3.781 1.00 37.97 O +ATOM 2080 N GLY B 82 31.240 32.824 5.354 1.00 36.94 N +ATOM 2081 CA GLY B 82 30.649 31.487 5.356 1.00 41.30 C +ATOM 2082 C GLY B 82 29.975 31.060 6.634 1.00 42.89 C +ATOM 2083 O GLY B 82 29.514 31.822 7.467 1.00 43.78 O +ATOM 2084 N ASP B 83 29.875 29.729 6.779 1.00 44.99 N +ATOM 2085 CA ASP B 83 29.245 29.106 7.919 1.00 44.87 C +ATOM 2086 C ASP B 83 29.931 29.444 9.232 1.00 43.12 C +ATOM 2087 O ASP B 83 29.389 30.158 10.080 1.00 44.51 O +ATOM 2088 CB ASP B 83 29.203 27.581 7.703 1.00 45.37 C +ATOM 2089 N GLU B 84 31.198 29.073 9.361 1.00 39.57 N +ATOM 2090 CA GLU B 84 31.889 29.322 10.633 1.00 35.32 C +ATOM 2091 C GLU B 84 32.737 30.564 10.603 1.00 33.31 C +ATOM 2092 O GLU B 84 33.078 31.072 9.529 1.00 32.15 O +ATOM 2093 CB AGLU B 84 32.657 28.083 11.057 0.65 40.57 C +ATOM 2094 CB BGLU B 84 32.721 28.051 10.950 0.35 37.27 C +ATOM 2095 CG AGLU B 84 31.824 26.839 11.265 0.65 45.73 C +ATOM 2096 CG BGLU B 84 31.841 26.838 11.176 0.35 39.64 C +ATOM 2097 CD AGLU B 84 30.459 27.013 11.860 0.65 48.01 C +ATOM 2098 CD BGLU B 84 32.493 25.497 11.278 0.35 40.27 C +ATOM 2099 OE1AGLU B 84 30.158 28.005 12.551 0.65 48.59 O +ATOM 2100 OE1BGLU B 84 33.712 25.329 11.082 0.35 38.21 O +ATOM 2101 OE2AGLU B 84 29.603 26.106 11.633 0.65 50.26 O +ATOM 2102 OE2BGLU B 84 31.752 24.501 11.542 0.35 42.48 O +ATOM 2103 N ARG B 85 33.122 31.065 11.777 1.00 30.14 N +ATOM 2104 CA ARG B 85 33.975 32.265 11.818 1.00 26.42 C +ATOM 2105 C ARG B 85 35.193 32.114 10.951 1.00 26.88 C +ATOM 2106 O ARG B 85 35.631 33.103 10.337 1.00 25.48 O +ATOM 2107 CB ARG B 85 34.370 32.568 13.270 1.00 27.83 C +ATOM 2108 CG ARG B 85 35.202 33.797 13.486 1.00 30.13 C +ATOM 2109 CD ARG B 85 35.530 34.015 14.961 1.00 30.35 C +ATOM 2110 NE ARG B 85 36.386 35.195 15.176 1.00 33.13 N +ATOM 2111 CZ ARG B 85 35.897 36.402 15.446 1.00 33.16 C +ATOM 2112 NH1 ARG B 85 34.576 36.589 15.522 1.00 32.09 N +ATOM 2113 NH2 ARG B 85 36.717 37.425 15.665 1.00 33.00 N +ATOM 2114 N ALA B 86 35.847 30.939 10.934 1.00 26.61 N +ATOM 2115 CA ALA B 86 37.038 30.760 10.124 1.00 25.94 C +ATOM 2116 C ALA B 86 36.756 30.952 8.631 1.00 26.31 C +ATOM 2117 O ALA B 86 37.587 31.597 7.987 1.00 23.73 O +ATOM 2118 CB ALA B 86 37.691 29.404 10.358 1.00 27.80 C +ATOM 2119 N ASP B 87 35.606 30.507 8.125 1.00 25.89 N +ATOM 2120 CA ASP B 87 35.216 30.712 6.735 1.00 26.18 C +ATOM 2121 C ASP B 87 35.011 32.226 6.489 1.00 22.48 C +ATOM 2122 O ASP B 87 35.415 32.704 5.432 1.00 24.68 O +ATOM 2123 CB ASP B 87 33.938 29.975 6.354 1.00 29.45 C +ATOM 2124 CG ASP B 87 34.004 28.460 6.588 1.00 32.55 C +ATOM 2125 OD1 ASP B 87 34.886 27.827 5.992 1.00 33.25 O +ATOM 2126 OD2 ASP B 87 33.159 27.933 7.339 1.00 34.55 O +ATOM 2127 N SER B 88 34.363 32.908 7.419 1.00 21.12 N +ATOM 2128 CA SER B 88 34.185 34.362 7.278 1.00 21.71 C +ATOM 2129 C SER B 88 35.518 35.093 7.221 1.00 23.27 C +ATOM 2130 O SER B 88 35.690 36.031 6.421 1.00 23.47 O +ATOM 2131 CB SER B 88 33.297 34.955 8.346 1.00 28.84 C +ATOM 2132 OG SER B 88 31.969 34.455 8.188 1.00 34.22 O +ATOM 2133 N VAL B 89 36.433 34.794 8.146 1.00 21.05 N +ATOM 2134 CA VAL B 89 37.732 35.464 8.140 1.00 20.93 C +ATOM 2135 C VAL B 89 38.461 35.188 6.860 1.00 20.37 C +ATOM 2136 O VAL B 89 39.009 36.098 6.228 1.00 21.58 O +ATOM 2137 CB VAL B 89 38.599 35.077 9.361 1.00 18.76 C +ATOM 2138 CG1 VAL B 89 39.967 35.720 9.256 1.00 20.78 C +ATOM 2139 CG2 VAL B 89 37.879 35.618 10.633 1.00 19.89 C +ATOM 2140 N LEU B 90 38.431 33.925 6.387 1.00 20.29 N +ATOM 2141 CA LEU B 90 39.106 33.601 5.112 1.00 19.11 C +ATOM 2142 C LEU B 90 38.463 34.375 3.958 1.00 20.14 C +ATOM 2143 O LEU B 90 39.213 34.847 3.055 1.00 21.92 O +ATOM 2144 CB LEU B 90 38.969 32.087 4.849 1.00 23.62 C +ATOM 2145 CG LEU B 90 39.969 31.240 5.687 1.00 26.36 C +ATOM 2146 CD1 LEU B 90 39.694 29.751 5.402 1.00 25.14 C +ATOM 2147 CD2 LEU B 90 41.385 31.519 5.205 1.00 25.83 C +ATOM 2148 N ALA B 91 37.177 34.558 3.986 1.00 20.09 N +ATOM 2149 CA ALA B 91 36.550 35.371 2.881 1.00 20.12 C +ATOM 2150 C ALA B 91 37.050 36.785 2.958 1.00 23.26 C +ATOM 2151 O ALA B 91 37.371 37.455 1.974 1.00 21.35 O +ATOM 2152 CB ALA B 91 35.031 35.335 3.078 1.00 23.44 C +ATOM 2153 N GLY B 92 37.125 37.323 4.202 1.00 21.55 N +ATOM 2154 CA GLY B 92 37.596 38.702 4.360 1.00 20.98 C +ATOM 2155 C GLY B 92 39.001 38.894 3.904 1.00 21.40 C +ATOM 2156 O GLY B 92 39.326 39.943 3.330 1.00 21.32 O +ATOM 2157 N LEU B 93 39.889 37.892 4.115 1.00 20.43 N +ATOM 2158 CA LEU B 93 41.268 38.034 3.699 1.00 21.06 C +ATOM 2159 C LEU B 93 41.454 38.210 2.204 1.00 22.69 C +ATOM 2160 O LEU B 93 42.404 38.850 1.759 1.00 23.05 O +ATOM 2161 CB LEU B 93 42.096 36.772 4.106 1.00 21.37 C +ATOM 2162 CG LEU B 93 42.206 36.559 5.614 1.00 23.25 C +ATOM 2163 CD1 LEU B 93 43.160 35.393 5.900 1.00 24.72 C +ATOM 2164 CD2 LEU B 93 42.741 37.808 6.318 1.00 22.50 C +ATOM 2165 N LYS B 94 40.550 37.655 1.389 1.00 23.78 N +ATOM 2166 CA LYS B 94 40.714 37.823 -0.070 1.00 23.01 C +ATOM 2167 C LYS B 94 40.616 39.280 -0.488 1.00 23.84 C +ATOM 2168 O LYS B 94 41.045 39.631 -1.587 1.00 23.63 O +ATOM 2169 CB LYS B 94 39.589 37.048 -0.770 1.00 20.51 C +ATOM 2170 CG LYS B 94 39.572 35.576 -0.433 1.00 24.14 C +ATOM 2171 CD LYS B 94 38.356 34.885 -1.094 1.00 25.35 C +ATOM 2172 CE LYS B 94 38.442 33.383 -0.776 1.00 27.78 C +ATOM 2173 NZ LYS B 94 37.390 32.634 -1.558 1.00 27.65 N +ATOM 2174 N ALA B 95 40.018 40.124 0.345 1.00 22.12 N +ATOM 2175 CA ALA B 95 39.836 41.532 0.034 1.00 22.47 C +ATOM 2176 C ALA B 95 40.772 42.444 0.781 1.00 25.78 C +ATOM 2177 O ALA B 95 40.593 43.679 0.823 1.00 25.15 O +ATOM 2178 CB ALA B 95 38.369 41.888 0.342 1.00 27.70 C +ATOM 2179 N ALA B 96 41.827 41.883 1.377 1.00 22.98 N +ATOM 2180 CA ALA B 96 42.756 42.713 2.162 1.00 25.63 C +ATOM 2181 C ALA B 96 43.752 43.510 1.363 1.00 29.23 C +ATOM 2182 O ALA B 96 44.603 44.231 1.929 1.00 29.57 O +ATOM 2183 CB ALA B 96 43.448 41.821 3.179 1.00 20.35 C +ATOM 2184 N GLY B 97 43.742 43.361 0.043 1.00 27.81 N +ATOM 2185 CA GLY B 97 44.624 44.181 -0.801 1.00 29.80 C +ATOM 2186 C GLY B 97 46.088 43.873 -0.608 1.00 29.26 C +ATOM 2187 O GLY B 97 46.508 42.727 -0.629 1.00 27.39 O +ATOM 2188 N ASP B 98 46.889 44.918 -0.397 1.00 30.10 N +ATOM 2189 CA ASP B 98 48.326 44.731 -0.223 1.00 30.70 C +ATOM 2190 C ASP B 98 48.755 44.583 1.229 1.00 31.31 C +ATOM 2191 O ASP B 98 49.954 44.464 1.509 1.00 31.40 O +ATOM 2192 CB ASP B 98 49.027 45.997 -0.802 1.00 36.54 C +ATOM 2193 N ALA B 99 47.821 44.567 2.184 1.00 27.17 N +ATOM 2194 CA ALA B 99 48.258 44.449 3.584 1.00 28.81 C +ATOM 2195 C ALA B 99 48.971 43.158 3.888 1.00 28.50 C +ATOM 2196 O ALA B 99 48.534 42.068 3.513 1.00 32.18 O +ATOM 2197 CB ALA B 99 47.039 44.643 4.495 1.00 25.78 C +ATOM 2198 N GLN B 100 50.097 43.223 4.640 1.00 27.56 N +ATOM 2199 CA GLN B 100 50.784 41.979 4.983 1.00 28.01 C +ATOM 2200 C GLN B 100 50.383 41.518 6.403 1.00 25.44 C +ATOM 2201 O GLN B 100 50.646 40.380 6.745 1.00 25.30 O +ATOM 2202 CB GLN B 100 52.291 42.088 4.923 1.00 36.02 C +ATOM 2203 CG GLN B 100 52.824 42.402 3.499 1.00 44.53 C +ATOM 2204 CD GLN B 100 54.330 42.645 3.614 1.00 51.34 C +ATOM 2205 OE1 GLN B 100 55.122 41.713 3.512 1.00 56.53 O +ATOM 2206 NE2 GLN B 100 54.704 43.886 3.891 1.00 53.83 N +ATOM 2207 N TRP B 101 49.764 42.433 7.148 1.00 24.52 N +ATOM 2208 CA TRP B 101 49.283 42.105 8.501 1.00 22.11 C +ATOM 2209 C TRP B 101 47.776 42.361 8.550 1.00 21.20 C +ATOM 2210 O TRP B 101 47.281 43.375 7.992 1.00 21.17 O +ATOM 2211 CB TRP B 101 49.970 42.997 9.548 1.00 24.77 C +ATOM 2212 CG TRP B 101 51.326 42.469 9.942 1.00 27.43 C +ATOM 2213 CD1 TRP B 101 52.478 42.590 9.201 1.00 30.36 C +ATOM 2214 CD2 TRP B 101 51.661 41.735 11.112 1.00 27.18 C +ATOM 2215 NE1 TRP B 101 53.524 41.995 9.873 1.00 32.46 N +ATOM 2216 CE2 TRP B 101 53.049 41.453 11.046 1.00 32.20 C +ATOM 2217 CE3 TRP B 101 50.947 41.295 12.224 1.00 21.70 C +ATOM 2218 CZ2 TRP B 101 53.714 40.743 12.045 1.00 26.32 C +ATOM 2219 CZ3 TRP B 101 51.603 40.593 13.225 1.00 24.95 C +ATOM 2220 CH2 TRP B 101 52.997 40.334 13.126 1.00 27.70 C +ATOM 2221 N VAL B 102 47.039 41.571 9.327 1.00 20.57 N +ATOM 2222 CA VAL B 102 45.582 41.695 9.370 1.00 17.60 C +ATOM 2223 C VAL B 102 45.067 41.662 10.819 1.00 19.39 C +ATOM 2224 O VAL B 102 45.628 40.917 11.618 1.00 19.92 O +ATOM 2225 CB VAL B 102 44.920 40.510 8.616 1.00 25.21 C +ATOM 2226 CG1 VAL B 102 43.402 40.488 8.827 1.00 26.64 C +ATOM 2227 CG2 VAL B 102 45.210 40.651 7.100 1.00 24.08 C +ATOM 2228 N LEU B 103 44.123 42.535 11.116 1.00 18.48 N +ATOM 2229 CA LEU B 103 43.492 42.525 12.464 1.00 19.53 C +ATOM 2230 C LEU B 103 42.129 41.819 12.288 1.00 19.42 C +ATOM 2231 O LEU B 103 41.433 42.137 11.321 1.00 20.49 O +ATOM 2232 CB LEU B 103 43.137 43.956 12.878 1.00 20.77 C +ATOM 2233 CG LEU B 103 44.117 44.986 13.290 1.00 26.36 C +ATOM 2234 CD1 LEU B 103 43.496 46.403 13.269 1.00 24.30 C +ATOM 2235 CD2 LEU B 103 44.666 44.697 14.695 1.00 27.14 C +ATOM 2236 N VAL B 104 41.719 40.988 13.241 1.00 18.00 N +ATOM 2237 CA VAL B 104 40.405 40.338 13.130 1.00 19.37 C +ATOM 2238 C VAL B 104 39.672 40.828 14.397 1.00 19.18 C +ATOM 2239 O VAL B 104 40.253 40.628 15.482 1.00 20.26 O +ATOM 2240 CB VAL B 104 40.468 38.823 13.102 1.00 18.79 C +ATOM 2241 CG1 VAL B 104 39.030 38.273 12.934 1.00 19.19 C +ATOM 2242 CG2 VAL B 104 41.316 38.329 11.919 1.00 16.87 C +ATOM 2243 N HIS B 105 38.563 41.486 14.278 1.00 16.86 N +ATOM 2244 CA HIS B 105 37.942 42.046 15.507 1.00 16.71 C +ATOM 2245 C HIS B 105 36.487 41.621 15.570 1.00 19.03 C +ATOM 2246 O HIS B 105 35.771 41.580 14.583 1.00 19.31 O +ATOM 2247 CB HIS B 105 38.044 43.593 15.445 1.00 17.97 C +ATOM 2248 CG HIS B 105 37.428 44.293 16.627 1.00 19.28 C +ATOM 2249 ND1 HIS B 105 37.883 44.104 17.902 1.00 21.41 N +ATOM 2250 CD2 HIS B 105 36.433 45.211 16.703 1.00 18.95 C +ATOM 2251 CE1 HIS B 105 37.188 44.854 18.760 1.00 21.53 C +ATOM 2252 NE2 HIS B 105 36.290 45.553 18.057 1.00 21.00 N +ATOM 2253 N ASP B 106 36.015 41.399 16.797 1.00 18.42 N +ATOM 2254 CA ASP B 106 34.624 41.017 16.995 1.00 20.95 C +ATOM 2255 C ASP B 106 33.714 42.195 16.673 1.00 20.22 C +ATOM 2256 O ASP B 106 33.822 43.284 17.207 1.00 21.56 O +ATOM 2257 CB ASP B 106 34.376 40.659 18.479 1.00 22.46 C +ATOM 2258 CG ASP B 106 34.861 39.286 18.856 1.00 29.01 C +ATOM 2259 OD1 ASP B 106 35.037 39.035 20.085 1.00 28.50 O +ATOM 2260 OD2 ASP B 106 35.081 38.432 17.975 1.00 25.20 O +ATOM 2261 N ALA B 107 32.673 41.898 15.882 1.00 23.16 N +ATOM 2262 CA ALA B 107 31.687 42.937 15.584 1.00 23.95 C +ATOM 2263 C ALA B 107 31.027 43.421 16.876 1.00 22.82 C +ATOM 2264 O ALA B 107 30.639 44.612 16.907 1.00 24.55 O +ATOM 2265 CB ALA B 107 30.594 42.326 14.677 1.00 22.27 C +ATOM 2266 N ALA B 108 30.915 42.618 17.911 1.00 22.03 N +ATOM 2267 CA ALA B 108 30.250 43.057 19.165 1.00 23.38 C +ATOM 2268 C ALA B 108 31.169 43.482 20.279 1.00 23.72 C +ATOM 2269 O ALA B 108 30.869 43.390 21.486 1.00 22.23 O +ATOM 2270 CB ALA B 108 29.263 41.985 19.614 1.00 22.91 C +ATOM 2271 N ARG B 109 32.337 44.077 19.917 1.00 19.93 N +ATOM 2272 CA ARG B 109 33.281 44.639 20.889 1.00 19.41 C +ATOM 2273 C ARG B 109 33.433 46.110 20.533 1.00 21.97 C +ATOM 2274 O ARG B 109 34.440 46.572 19.971 1.00 21.00 O +ATOM 2275 CB ARG B 109 34.602 43.909 20.983 1.00 18.06 C +ATOM 2276 CG ARG B 109 34.607 42.662 21.862 1.00 21.56 C +ATOM 2277 CD ARG B 109 35.979 41.948 21.875 1.00 19.46 C +ATOM 2278 NE ARG B 109 35.899 40.582 22.374 1.00 21.58 N +ATOM 2279 CZ ARG B 109 35.875 40.173 23.623 1.00 23.52 C +ATOM 2280 NH1 ARG B 109 35.910 41.016 24.668 1.00 21.20 N +ATOM 2281 NH2 ARG B 109 35.793 38.882 23.913 1.00 25.29 N +ATOM 2282 N PRO B 110 32.450 46.935 20.954 1.00 19.53 N +ATOM 2283 CA PRO B 110 32.436 48.331 20.555 1.00 20.36 C +ATOM 2284 C PRO B 110 33.195 49.268 21.431 1.00 19.42 C +ATOM 2285 O PRO B 110 33.280 50.470 21.083 1.00 22.73 O +ATOM 2286 CB PRO B 110 30.898 48.662 20.636 1.00 18.81 C +ATOM 2287 CG PRO B 110 30.548 47.900 21.903 1.00 21.52 C +ATOM 2288 CD PRO B 110 31.218 46.540 21.661 1.00 20.90 C +ATOM 2289 N CYS B 111 33.793 48.810 22.519 1.00 19.38 N +ATOM 2290 CA CYS B 111 34.473 49.632 23.469 1.00 17.41 C +ATOM 2291 C CYS B 111 36.015 49.579 23.329 1.00 21.46 C +ATOM 2292 O CYS B 111 36.671 50.264 24.136 1.00 23.00 O +ATOM 2293 CB CYS B 111 34.119 49.301 24.919 1.00 22.12 C +ATOM 2294 SG CYS B 111 32.351 49.250 25.244 1.00 21.74 S +ATOM 2295 N LEU B 112 36.494 49.062 22.230 1.00 20.58 N +ATOM 2296 CA LEU B 112 37.921 48.970 21.956 1.00 22.32 C +ATOM 2297 C LEU B 112 38.533 50.382 22.011 1.00 24.58 C +ATOM 2298 O LEU B 112 38.052 51.257 21.284 1.00 23.86 O +ATOM 2299 CB LEU B 112 38.167 48.420 20.537 1.00 21.26 C +ATOM 2300 CG LEU B 112 39.613 48.481 20.007 1.00 20.56 C +ATOM 2301 CD1 LEU B 112 40.535 47.699 20.928 1.00 19.95 C +ATOM 2302 CD2 LEU B 112 39.633 47.913 18.588 1.00 22.85 C +ATOM 2303 N HIS B 113 39.573 50.525 22.791 1.00 22.20 N +ATOM 2304 CA HIS B 113 40.254 51.814 22.945 1.00 22.91 C +ATOM 2305 C HIS B 113 41.455 51.899 22.010 1.00 22.32 C +ATOM 2306 O HIS B 113 42.178 50.955 21.804 1.00 21.03 O +ATOM 2307 CB HIS B 113 40.714 51.929 24.423 1.00 24.47 C +ATOM 2308 CG HIS B 113 41.170 53.313 24.757 1.00 30.40 C +ATOM 2309 ND1 HIS B 113 40.408 54.244 25.408 1.00 37.69 N +ATOM 2310 CD2 HIS B 113 42.323 53.936 24.426 1.00 26.82 C +ATOM 2311 CE1 HIS B 113 41.080 55.400 25.517 1.00 29.47 C +ATOM 2312 NE2 HIS B 113 42.265 55.217 24.916 1.00 34.38 N +ATOM 2313 N GLN B 114 41.705 53.131 21.504 1.00 21.91 N +ATOM 2314 CA GLN B 114 42.793 53.382 20.587 1.00 22.59 C +ATOM 2315 C GLN B 114 44.156 53.049 21.163 1.00 24.16 C +ATOM 2316 O GLN B 114 45.028 52.587 20.438 1.00 23.72 O +ATOM 2317 CB GLN B 114 42.704 54.847 20.072 1.00 20.94 C +ATOM 2318 CG GLN B 114 42.873 55.945 21.082 1.00 22.92 C +ATOM 2319 CD GLN B 114 41.602 56.388 21.787 1.00 28.73 C +ATOM 2320 OE1 GLN B 114 40.629 55.628 21.871 1.00 27.21 O +ATOM 2321 NE2 GLN B 114 41.543 57.649 22.269 1.00 27.79 N +ATOM 2322 N ASP B 115 44.337 53.241 22.472 1.00 22.57 N +ATOM 2323 CA ASP B 115 45.579 52.940 23.156 1.00 25.11 C +ATOM 2324 C ASP B 115 45.912 51.450 23.020 1.00 22.18 C +ATOM 2325 O ASP B 115 47.052 51.110 22.772 1.00 24.43 O +ATOM 2326 CB ASP B 115 45.504 53.228 24.657 1.00 28.47 C +ATOM 2327 CG ASP B 115 45.428 54.685 24.977 1.00 32.39 C +ATOM 2328 OD1 ASP B 115 45.241 55.014 26.162 1.00 33.51 O +ATOM 2329 OD2 ASP B 115 45.538 55.510 24.030 1.00 33.05 O +ATOM 2330 N ASP B 116 44.901 50.617 23.277 1.00 21.69 N +ATOM 2331 CA ASP B 116 45.093 49.160 23.164 1.00 20.88 C +ATOM 2332 C ASP B 116 45.389 48.767 21.716 1.00 20.64 C +ATOM 2333 O ASP B 116 46.294 47.991 21.388 1.00 18.58 O +ATOM 2334 CB ASP B 116 43.818 48.469 23.647 1.00 22.97 C +ATOM 2335 CG ASP B 116 43.631 48.542 25.165 1.00 24.27 C +ATOM 2336 OD1 ASP B 116 44.550 48.937 25.893 1.00 24.69 O +ATOM 2337 OD2 ASP B 116 42.567 48.067 25.626 1.00 26.10 O +ATOM 2338 N LEU B 117 44.618 49.323 20.781 1.00 20.74 N +ATOM 2339 CA LEU B 117 44.857 49.029 19.350 1.00 19.69 C +ATOM 2340 C LEU B 117 46.249 49.413 18.929 1.00 21.64 C +ATOM 2341 O LEU B 117 46.951 48.678 18.215 1.00 20.77 O +ATOM 2342 CB LEU B 117 43.794 49.824 18.556 1.00 20.07 C +ATOM 2343 CG LEU B 117 43.882 49.760 17.038 1.00 21.73 C +ATOM 2344 CD1 LEU B 117 43.741 48.312 16.571 1.00 22.57 C +ATOM 2345 CD2 LEU B 117 42.802 50.615 16.402 1.00 22.35 C +ATOM 2346 N ALA B 118 46.742 50.580 19.388 1.00 21.45 N +ATOM 2347 CA ALA B 118 48.090 51.007 19.008 1.00 22.66 C +ATOM 2348 C ALA B 118 49.172 50.094 19.567 1.00 21.60 C +ATOM 2349 O ALA B 118 50.093 49.717 18.836 1.00 22.27 O +ATOM 2350 CB ALA B 118 48.320 52.470 19.436 1.00 22.86 C +ATOM 2351 N ARG B 119 49.021 49.636 20.815 1.00 24.24 N +ATOM 2352 CA ARG B 119 49.940 48.733 21.479 1.00 25.37 C +ATOM 2353 C ARG B 119 49.972 47.394 20.740 1.00 25.27 C +ATOM 2354 O ARG B 119 51.010 46.793 20.486 1.00 24.74 O +ATOM 2355 CB ARG B 119 49.543 48.503 22.952 1.00 26.20 C +ATOM 2356 CG ARG B 119 50.576 47.850 23.834 1.00 31.67 C +ATOM 2357 CD ARG B 119 50.158 47.832 25.326 1.00 39.11 C +ATOM 2358 NE ARG B 119 49.554 49.099 25.715 1.00 38.29 N +ATOM 2359 CZ ARG B 119 48.291 49.259 26.089 1.00 41.08 C +ATOM 2360 NH1 ARG B 119 47.843 50.486 26.376 1.00 38.73 N +ATOM 2361 NH2 ARG B 119 47.461 48.220 26.182 1.00 34.57 N +ATOM 2362 N LEU B 120 48.774 46.919 20.330 1.00 20.77 N +ATOM 2363 CA LEU B 120 48.746 45.670 19.568 1.00 21.93 C +ATOM 2364 C LEU B 120 49.388 45.813 18.193 1.00 21.01 C +ATOM 2365 O LEU B 120 50.198 44.983 17.754 1.00 21.98 O +ATOM 2366 CB LEU B 120 47.283 45.250 19.359 1.00 19.22 C +ATOM 2367 CG LEU B 120 47.099 43.935 18.595 1.00 21.27 C +ATOM 2368 CD1 LEU B 120 47.590 42.749 19.410 1.00 22.90 C +ATOM 2369 CD2 LEU B 120 45.618 43.786 18.224 1.00 19.60 C +ATOM 2370 N LEU B 121 49.124 46.944 17.516 1.00 22.19 N +ATOM 2371 CA LEU B 121 49.690 47.149 16.178 1.00 23.85 C +ATOM 2372 C LEU B 121 51.211 47.244 16.221 1.00 26.68 C +ATOM 2373 O LEU B 121 51.875 46.823 15.271 1.00 24.62 O +ATOM 2374 CB LEU B 121 49.129 48.433 15.529 1.00 24.59 C +ATOM 2375 CG LEU B 121 47.750 48.314 14.917 1.00 29.62 C +ATOM 2376 CD1 LEU B 121 47.389 49.576 14.122 1.00 26.84 C +ATOM 2377 CD2 LEU B 121 47.633 47.091 14.028 1.00 26.45 C +ATOM 2378 N ALA B 122 51.758 47.615 17.373 1.00 29.55 N +ATOM 2379 CA ALA B 122 53.214 47.672 17.546 1.00 32.91 C +ATOM 2380 C ALA B 122 53.847 46.299 17.395 1.00 34.32 C +ATOM 2381 O ALA B 122 55.052 46.205 17.100 1.00 34.18 O +ATOM 2382 CB ALA B 122 53.559 48.268 18.899 1.00 34.83 C +ATOM 2383 N LEU B 123 53.098 45.197 17.541 1.00 32.76 N +ATOM 2384 CA LEU B 123 53.637 43.872 17.343 1.00 34.32 C +ATOM 2385 C LEU B 123 54.200 43.598 15.956 1.00 35.80 C +ATOM 2386 O LEU B 123 55.010 42.644 15.818 1.00 38.23 O +ATOM 2387 CB LEU B 123 52.599 42.785 17.645 1.00 33.93 C +ATOM 2388 CG LEU B 123 52.189 42.511 19.067 1.00 38.07 C +ATOM 2389 CD1 LEU B 123 51.110 41.432 19.149 1.00 36.44 C +ATOM 2390 CD2 LEU B 123 53.382 42.057 19.923 1.00 39.23 C +ATOM 2391 N SER B 124 53.754 44.230 14.896 1.00 36.98 N +ATOM 2392 CA SER B 124 54.245 43.974 13.547 1.00 40.64 C +ATOM 2393 C SER B 124 55.666 44.504 13.339 1.00 44.43 C +ATOM 2394 O SER B 124 56.334 44.142 12.368 1.00 46.79 O +ATOM 2395 CB SER B 124 53.344 44.558 12.488 1.00 39.45 C +ATOM 2396 OG SER B 124 53.319 45.976 12.512 1.00 35.90 O +ATOM 2397 N GLU B 125 56.084 45.426 14.198 1.00 46.75 N +ATOM 2398 CA GLU B 125 57.433 45.986 14.097 1.00 48.82 C +ATOM 2399 C GLU B 125 58.445 44.975 14.654 1.00 49.44 C +ATOM 2400 O GLU B 125 59.541 44.837 14.103 1.00 51.68 O +ATOM 2401 CB GLU B 125 57.530 47.282 14.916 1.00 43.90 C +ATOM 2402 N THR B 126 58.001 44.148 15.580 1.00 49.47 N +ATOM 2403 CA THR B 126 58.806 43.195 16.266 1.00 50.12 C +ATOM 2404 C THR B 126 58.546 41.722 16.170 1.00 49.96 C +ATOM 2405 O THR B 126 59.545 40.967 16.327 1.00 53.44 O +ATOM 2406 CB THR B 126 58.742 43.516 17.816 1.00 52.22 C +ATOM 2407 OG1 THR B 126 58.940 42.283 18.522 1.00 54.42 O +ATOM 2408 CG2 THR B 126 57.382 44.075 18.162 1.00 51.98 C +ATOM 2409 N SER B 127 57.333 41.224 16.063 1.00 47.71 N +ATOM 2410 CA SER B 127 57.050 39.797 16.108 1.00 43.50 C +ATOM 2411 C SER B 127 56.806 39.145 14.767 1.00 41.94 C +ATOM 2412 O SER B 127 56.682 39.847 13.763 1.00 38.83 O +ATOM 2413 CB SER B 127 55.856 39.564 17.051 1.00 47.84 C +ATOM 2414 OG SER B 127 55.239 38.301 16.847 1.00 51.90 O +ATOM 2415 N ARG B 128 56.861 37.800 14.743 1.00 38.70 N +ATOM 2416 CA ARG B 128 56.620 37.082 13.503 1.00 38.09 C +ATOM 2417 C ARG B 128 55.299 36.328 13.537 1.00 37.23 C +ATOM 2418 O ARG B 128 54.844 35.797 12.522 1.00 37.97 O +ATOM 2419 CB ARG B 128 57.720 36.035 13.216 1.00 36.62 C +ATOM 2420 CG ARG B 128 59.116 36.631 13.118 1.00 41.53 C +ATOM 2421 N THR B 129 54.734 36.142 14.743 1.00 34.68 N +ATOM 2422 CA THR B 129 53.519 35.333 14.815 1.00 33.69 C +ATOM 2423 C THR B 129 52.306 36.144 15.255 1.00 32.74 C +ATOM 2424 O THR B 129 51.189 35.609 15.107 1.00 36.90 O +ATOM 2425 CB THR B 129 53.688 34.078 15.660 1.00 39.19 C +ATOM 2426 OG1 THR B 129 54.143 34.420 16.967 1.00 38.58 O +ATOM 2427 CG2 THR B 129 54.692 33.118 15.026 1.00 40.77 C +ATOM 2428 N GLY B 130 52.492 37.358 15.669 1.00 29.78 N +ATOM 2429 CA GLY B 130 51.396 38.243 16.052 1.00 29.69 C +ATOM 2430 C GLY B 130 50.955 37.971 17.499 1.00 30.39 C +ATOM 2431 O GLY B 130 51.664 37.366 18.300 1.00 27.59 O +ATOM 2432 N GLY B 131 49.759 38.437 17.795 1.00 25.90 N +ATOM 2433 CA GLY B 131 49.249 38.323 19.172 1.00 24.28 C +ATOM 2434 C GLY B 131 47.867 38.941 19.243 1.00 24.03 C +ATOM 2435 O GLY B 131 47.272 39.328 18.253 1.00 20.46 O +ATOM 2436 N ILE B 132 47.316 38.875 20.466 1.00 22.37 N +ATOM 2437 CA ILE B 132 45.978 39.353 20.719 1.00 21.03 C +ATOM 2438 C ILE B 132 45.893 40.271 21.934 1.00 22.78 C +ATOM 2439 O ILE B 132 46.779 40.306 22.786 1.00 21.64 O +ATOM 2440 CB ILE B 132 45.072 38.118 20.972 1.00 21.10 C +ATOM 2441 CG1 ILE B 132 45.436 37.485 22.340 1.00 19.83 C +ATOM 2442 CG2 ILE B 132 45.239 37.040 19.894 1.00 18.41 C +ATOM 2443 CD1 ILE B 132 44.370 36.532 22.885 1.00 21.09 C +ATOM 2444 N LEU B 133 44.859 41.141 21.949 1.00 20.58 N +ATOM 2445 CA LEU B 133 44.615 41.879 23.190 1.00 21.19 C +ATOM 2446 C LEU B 133 44.103 40.836 24.215 1.00 20.88 C +ATOM 2447 O LEU B 133 43.310 39.935 23.832 1.00 19.72 O +ATOM 2448 CB LEU B 133 43.510 42.900 23.012 1.00 20.29 C +ATOM 2449 CG LEU B 133 43.883 44.357 22.855 1.00 29.94 C +ATOM 2450 CD1 LEU B 133 45.340 44.682 22.666 1.00 27.49 C +ATOM 2451 CD2 LEU B 133 42.952 45.091 21.954 1.00 18.26 C +ATOM 2452 N ALA B 134 44.408 41.050 25.463 1.00 19.86 N +ATOM 2453 CA ALA B 134 43.948 40.065 26.489 1.00 18.62 C +ATOM 2454 C ALA B 134 43.924 40.731 27.857 1.00 21.21 C +ATOM 2455 O ALA B 134 44.597 41.716 28.064 1.00 20.04 O +ATOM 2456 CB ALA B 134 44.865 38.858 26.473 1.00 21.77 C +ATOM 2457 N ALA B 135 43.109 40.143 28.750 1.00 22.32 N +ATOM 2458 CA ALA B 135 43.019 40.738 30.096 1.00 24.00 C +ATOM 2459 C ALA B 135 43.214 39.607 31.137 1.00 24.57 C +ATOM 2460 O ALA B 135 42.614 38.563 31.019 1.00 23.26 O +ATOM 2461 CB ALA B 135 41.658 41.355 30.305 1.00 25.40 C +ATOM 2462 N PRO B 136 44.150 39.834 32.037 1.00 25.86 N +ATOM 2463 CA PRO B 136 44.444 38.866 33.089 1.00 26.54 C +ATOM 2464 C PRO B 136 43.230 38.621 33.971 1.00 25.62 C +ATOM 2465 O PRO B 136 42.478 39.535 34.280 1.00 25.32 O +ATOM 2466 CB PRO B 136 45.566 39.504 33.901 1.00 27.15 C +ATOM 2467 CG PRO B 136 46.060 40.640 33.089 1.00 32.58 C +ATOM 2468 CD PRO B 136 44.928 41.086 32.191 1.00 27.18 C +ATOM 2469 N VAL B 137 43.080 37.377 34.435 1.00 24.49 N +ATOM 2470 CA VAL B 137 42.001 37.048 35.371 1.00 24.62 C +ATOM 2471 C VAL B 137 42.317 37.667 36.750 1.00 27.58 C +ATOM 2472 O VAL B 137 43.384 37.377 37.288 1.00 29.71 O +ATOM 2473 CB VAL B 137 41.856 35.530 35.500 1.00 24.75 C +ATOM 2474 CG1 VAL B 137 40.884 35.166 36.601 1.00 25.87 C +ATOM 2475 CG2 VAL B 137 41.344 34.994 34.151 1.00 25.57 C +ATOM 2476 N ARG B 138 41.426 38.489 37.245 1.00 28.14 N +ATOM 2477 CA ARG B 138 41.640 39.189 38.520 1.00 29.80 C +ATOM 2478 C ARG B 138 40.710 38.665 39.607 1.00 30.99 C +ATOM 2479 O ARG B 138 40.840 39.088 40.782 1.00 30.33 O +ATOM 2480 CB ARG B 138 41.423 40.690 38.369 1.00 31.90 C +ATOM 2481 CG ARG B 138 42.462 41.438 37.544 1.00 41.27 C +ATOM 2482 CD ARG B 138 43.817 40.807 37.633 1.00 46.03 C +ATOM 2483 NE ARG B 138 44.969 41.662 37.441 1.00 48.42 N +ATOM 2484 CZ ARG B 138 46.215 41.151 37.473 1.00 53.41 C +ATOM 2485 NH1 ARG B 138 46.405 39.852 37.686 1.00 52.60 N +ATOM 2486 NH2 ARG B 138 47.247 41.956 37.274 1.00 54.95 N +ATOM 2487 N ASP B 139 39.779 37.818 39.221 1.00 28.42 N +ATOM 2488 CA ASP B 139 38.824 37.257 40.181 1.00 28.19 C +ATOM 2489 C ASP B 139 39.132 35.784 40.384 1.00 28.48 C +ATOM 2490 O ASP B 139 40.288 35.385 40.229 1.00 30.33 O +ATOM 2491 CB ASP B 139 37.405 37.510 39.736 1.00 29.26 C +ATOM 2492 CG ASP B 139 37.067 36.903 38.373 1.00 32.13 C +ATOM 2493 OD1 ASP B 139 35.861 36.759 38.123 1.00 28.06 O +ATOM 2494 OD2 ASP B 139 37.966 36.571 37.571 1.00 29.65 O +ATOM 2495 N THR B 140 38.158 35.004 40.812 1.00 26.28 N +ATOM 2496 CA THR B 140 38.412 33.582 41.091 1.00 27.79 C +ATOM 2497 C THR B 140 37.457 32.777 40.202 1.00 25.38 C +ATOM 2498 O THR B 140 36.347 33.263 39.908 1.00 28.04 O +ATOM 2499 CB THR B 140 38.097 33.230 42.554 1.00 27.40 C +ATOM 2500 OG1 THR B 140 36.746 33.624 42.792 1.00 34.13 O +ATOM 2501 CG2 THR B 140 39.007 33.999 43.499 1.00 29.73 C +ATOM 2502 N MET B 141 37.981 31.675 39.702 1.00 22.41 N +ATOM 2503 CA MET B 141 37.152 30.900 38.764 1.00 22.52 C +ATOM 2504 C MET B 141 36.969 29.473 39.268 1.00 21.34 C +ATOM 2505 O MET B 141 37.794 28.948 39.976 1.00 24.40 O +ATOM 2506 CB MET B 141 37.844 30.873 37.382 1.00 21.13 C +ATOM 2507 CG MET B 141 37.572 32.261 36.718 1.00 26.28 C +ATOM 2508 SD MET B 141 38.019 32.277 35.010 1.00 27.78 S +ATOM 2509 CE MET B 141 37.650 34.044 34.656 1.00 26.50 C +ATOM 2510 N LYS B 142 35.824 28.899 38.913 1.00 22.05 N +ATOM 2511 CA LYS B 142 35.485 27.546 39.279 1.00 21.78 C +ATOM 2512 C LYS B 142 35.200 26.709 38.035 1.00 23.22 C +ATOM 2513 O LYS B 142 34.617 27.208 37.058 1.00 22.47 O +ATOM 2514 CB LYS B 142 34.198 27.537 40.158 1.00 20.52 C +ATOM 2515 CG LYS B 142 34.300 28.459 41.381 1.00 17.32 C +ATOM 2516 CD LYS B 142 35.386 28.000 42.369 1.00 23.68 C +ATOM 2517 CE LYS B 142 35.283 28.816 43.656 1.00 23.20 C +ATOM 2518 NZ LYS B 142 36.103 28.220 44.796 1.00 20.49 N +ATOM 2519 N ARG B 143 35.590 25.456 38.048 1.00 21.39 N +ATOM 2520 CA ARG B 143 35.280 24.548 36.939 1.00 23.34 C +ATOM 2521 C ARG B 143 34.119 23.647 37.405 1.00 23.22 C +ATOM 2522 O ARG B 143 34.231 23.038 38.470 1.00 23.38 O +ATOM 2523 CB ARG B 143 36.491 23.698 36.589 1.00 23.58 C +ATOM 2524 CG ARG B 143 36.174 22.510 35.691 1.00 28.86 C +ATOM 2525 CD ARG B 143 35.720 22.979 34.335 1.00 32.94 C +ATOM 2526 NE ARG B 143 36.570 23.720 33.523 1.00 38.55 N +ATOM 2527 CZ ARG B 143 37.812 23.975 33.385 1.00 34.57 C +ATOM 2528 NH1 ARG B 143 38.285 24.764 32.391 1.00 26.84 N +ATOM 2529 NH2 ARG B 143 38.648 23.463 34.306 1.00 45.84 N +ATOM 2530 N ALA B 144 33.038 23.602 36.653 1.00 23.35 N +ATOM 2531 CA ALA B 144 31.892 22.792 37.028 1.00 25.29 C +ATOM 2532 C ALA B 144 32.080 21.311 36.706 1.00 28.39 C +ATOM 2533 O ALA B 144 32.859 20.982 35.800 1.00 26.94 O +ATOM 2534 CB ALA B 144 30.667 23.292 36.225 1.00 25.95 C +ATOM 2535 N GLU B 145 31.390 20.447 37.427 1.00 25.53 N +ATOM 2536 CA GLU B 145 31.465 18.998 37.077 1.00 27.98 C +ATOM 2537 C GLU B 145 30.826 18.893 35.697 1.00 29.83 C +ATOM 2538 O GLU B 145 29.859 19.599 35.389 1.00 30.21 O +ATOM 2539 CB GLU B 145 30.642 18.198 38.099 1.00 32.49 C +ATOM 2540 CG GLU B 145 31.179 18.239 39.504 1.00 36.74 C +ATOM 2541 CD GLU B 145 30.302 17.552 40.534 1.00 41.65 C +ATOM 2542 OE1 GLU B 145 30.844 17.096 41.549 1.00 43.78 O +ATOM 2543 OE2 GLU B 145 29.069 17.462 40.322 1.00 45.26 O +ATOM 2544 N PRO B 146 31.267 17.971 34.850 1.00 32.75 N +ATOM 2545 CA PRO B 146 30.721 17.840 33.512 1.00 33.99 C +ATOM 2546 C PRO B 146 29.227 17.646 33.470 1.00 33.55 C +ATOM 2547 O PRO B 146 28.679 16.804 34.195 1.00 36.74 O +ATOM 2548 CB PRO B 146 31.452 16.599 32.955 1.00 35.23 C +ATOM 2549 CG PRO B 146 32.751 16.616 33.685 1.00 36.00 C +ATOM 2550 CD PRO B 146 32.369 17.016 35.119 1.00 33.60 C +ATOM 2551 N GLY B 147 28.514 18.525 32.778 1.00 34.30 N +ATOM 2552 CA GLY B 147 27.083 18.468 32.619 1.00 36.56 C +ATOM 2553 C GLY B 147 26.249 18.680 33.865 1.00 37.52 C +ATOM 2554 O GLY B 147 25.035 18.389 33.853 1.00 37.91 O +ATOM 2555 N LYS B 148 26.814 19.311 34.884 1.00 33.80 N +ATOM 2556 CA LYS B 148 26.112 19.563 36.156 1.00 32.76 C +ATOM 2557 C LYS B 148 26.475 20.971 36.645 1.00 31.37 C +ATOM 2558 O LYS B 148 27.585 21.414 36.330 1.00 32.86 O +ATOM 2559 CB LYS B 148 26.622 18.525 37.160 1.00 34.18 C +ATOM 2560 N ASN B 149 25.604 21.680 37.342 1.00 30.54 N +ATOM 2561 CA ASN B 149 25.973 23.013 37.828 1.00 30.52 C +ATOM 2562 C ASN B 149 26.425 22.920 39.310 1.00 31.02 C +ATOM 2563 O ASN B 149 25.759 23.437 40.202 1.00 28.76 O +ATOM 2564 CB ASN B 149 24.919 24.075 37.704 1.00 36.56 C +ATOM 2565 CG ASN B 149 24.525 24.336 36.253 1.00 38.57 C +ATOM 2566 OD1 ASN B 149 25.397 24.658 35.442 1.00 37.29 O +ATOM 2567 ND2 ASN B 149 23.244 24.164 35.979 1.00 40.85 N +ATOM 2568 N ALA B 150 27.416 22.102 39.511 1.00 28.82 N +ATOM 2569 CA ALA B 150 28.063 21.883 40.793 1.00 28.35 C +ATOM 2570 C ALA B 150 29.570 22.067 40.529 1.00 26.54 C +ATOM 2571 O ALA B 150 30.081 21.786 39.437 1.00 26.67 O +ATOM 2572 CB ALA B 150 27.795 20.565 41.435 1.00 27.37 C +ATOM 2573 N ILE B 151 30.236 22.626 41.505 1.00 23.20 N +ATOM 2574 CA ILE B 151 31.668 22.879 41.381 1.00 23.88 C +ATOM 2575 C ILE B 151 32.503 21.613 41.450 1.00 24.47 C +ATOM 2576 O ILE B 151 32.441 20.868 42.459 1.00 23.98 O +ATOM 2577 CB ILE B 151 32.114 23.823 42.538 1.00 21.18 C +ATOM 2578 CG1 ILE B 151 31.448 25.206 42.275 1.00 22.68 C +ATOM 2579 CG2 ILE B 151 33.622 23.999 42.551 1.00 24.76 C +ATOM 2580 CD1 ILE B 151 31.810 26.216 43.381 1.00 27.05 C +ATOM 2581 N ALA B 152 33.353 21.438 40.449 1.00 22.62 N +ATOM 2582 CA ALA B 152 34.347 20.356 40.469 1.00 25.52 C +ATOM 2583 C ALA B 152 35.562 20.819 41.243 1.00 26.40 C +ATOM 2584 O ALA B 152 35.898 20.268 42.306 1.00 26.92 O +ATOM 2585 CB ALA B 152 34.728 19.927 39.066 1.00 27.39 C +ATOM 2586 N HIS B 153 36.191 21.933 40.828 1.00 24.18 N +ATOM 2587 CA HIS B 153 37.341 22.465 41.509 1.00 24.92 C +ATOM 2588 C HIS B 153 37.599 23.943 41.165 1.00 25.22 C +ATOM 2589 O HIS B 153 37.028 24.438 40.206 1.00 24.65 O +ATOM 2590 CB HIS B 153 38.636 21.709 41.128 1.00 28.82 C +ATOM 2591 CG HIS B 153 38.762 21.484 39.640 1.00 27.86 C +ATOM 2592 ND1 HIS B 153 39.280 22.430 38.805 1.00 33.45 N +ATOM 2593 CD2 HIS B 153 38.496 20.378 38.889 1.00 24.30 C +ATOM 2594 CE1 HIS B 153 39.300 21.960 37.554 1.00 27.60 C +ATOM 2595 NE2 HIS B 153 38.801 20.730 37.569 1.00 28.52 N +ATOM 2596 N THR B 154 38.507 24.529 41.915 1.00 24.16 N +ATOM 2597 CA THR B 154 38.949 25.903 41.650 1.00 26.18 C +ATOM 2598 C THR B 154 39.965 25.856 40.508 1.00 27.33 C +ATOM 2599 O THR B 154 40.768 24.914 40.409 1.00 29.03 O +ATOM 2600 CB THR B 154 39.531 26.566 42.886 1.00 30.22 C +ATOM 2601 OG1 THR B 154 38.471 26.610 43.876 1.00 27.73 O +ATOM 2602 CG2 THR B 154 39.984 28.014 42.656 1.00 27.11 C +ATOM 2603 N VAL B 155 39.869 26.833 39.613 1.00 23.78 N +ATOM 2604 CA VAL B 155 40.854 26.856 38.499 1.00 27.06 C +ATOM 2605 C VAL B 155 41.972 27.815 38.903 1.00 26.51 C +ATOM 2606 O VAL B 155 41.687 28.943 39.270 1.00 31.59 O +ATOM 2607 CB VAL B 155 40.199 27.310 37.194 1.00 25.94 C +ATOM 2608 CG1 VAL B 155 41.289 27.505 36.098 1.00 27.28 C +ATOM 2609 CG2 VAL B 155 39.173 26.292 36.703 1.00 28.31 C +ATOM 2610 N ASP B 156 43.225 27.388 38.755 1.00 28.98 N +ATOM 2611 CA ASP B 156 44.350 28.274 39.093 1.00 28.70 C +ATOM 2612 C ASP B 156 44.281 29.521 38.198 1.00 29.19 C +ATOM 2613 O ASP B 156 44.360 29.335 36.963 1.00 29.80 O +ATOM 2614 CB ASP B 156 45.652 27.523 38.750 1.00 34.59 C +ATOM 2615 CG ASP B 156 46.899 28.303 39.093 1.00 37.07 C +ATOM 2616 OD1 ASP B 156 46.840 29.473 39.512 1.00 33.65 O +ATOM 2617 OD2 ASP B 156 47.998 27.710 38.942 1.00 46.11 O +ATOM 2618 N ARG B 157 44.309 30.710 38.746 1.00 28.75 N +ATOM 2619 CA ARG B 157 44.231 31.912 37.908 1.00 28.83 C +ATOM 2620 C ARG B 157 45.585 32.465 37.519 1.00 30.40 C +ATOM 2621 O ARG B 157 45.670 33.372 36.664 1.00 28.47 O +ATOM 2622 CB ARG B 157 43.366 32.983 38.536 1.00 32.91 C +ATOM 2623 CG ARG B 157 44.060 33.752 39.632 1.00 37.57 C +ATOM 2624 CD ARG B 157 43.086 34.632 40.404 1.00 41.65 C +ATOM 2625 NE ARG B 157 43.753 35.141 41.599 1.00 44.54 N +ATOM 2626 CZ ARG B 157 43.393 36.187 42.309 1.00 46.87 C +ATOM 2627 NH1 ARG B 157 42.336 36.906 41.966 1.00 50.63 N +ATOM 2628 NH2 ARG B 157 44.089 36.522 43.397 1.00 44.20 N +ATOM 2629 N ASN B 158 46.678 31.916 38.061 1.00 30.73 N +ATOM 2630 CA ASN B 158 48.008 32.410 37.662 1.00 31.35 C +ATOM 2631 C ASN B 158 48.283 32.114 36.181 1.00 28.35 C +ATOM 2632 O ASN B 158 48.193 30.985 35.715 1.00 26.63 O +ATOM 2633 CB ASN B 158 49.074 31.773 38.553 1.00 38.59 C +ATOM 2634 CG ASN B 158 49.048 32.325 39.965 1.00 46.40 C +ATOM 2635 OD1 ASN B 158 48.314 33.268 40.289 1.00 47.02 O +ATOM 2636 ND2 ASN B 158 49.839 31.723 40.859 1.00 49.25 N +ATOM 2637 N GLY B 159 48.650 33.149 35.434 1.00 28.38 N +ATOM 2638 CA GLY B 159 48.880 33.068 34.006 1.00 25.95 C +ATOM 2639 C GLY B 159 47.613 32.805 33.197 1.00 23.80 C +ATOM 2640 O GLY B 159 47.727 32.369 32.019 1.00 22.86 O +ATOM 2641 N LEU B 160 46.444 33.028 33.737 1.00 23.79 N +ATOM 2642 CA LEU B 160 45.162 32.803 33.023 1.00 23.89 C +ATOM 2643 C LEU B 160 44.669 34.156 32.523 1.00 22.86 C +ATOM 2644 O LEU B 160 44.637 35.174 33.251 1.00 22.79 O +ATOM 2645 CB LEU B 160 44.091 32.183 33.929 1.00 26.52 C +ATOM 2646 CG LEU B 160 42.796 31.708 33.218 1.00 24.73 C +ATOM 2647 CD1 LEU B 160 43.048 30.613 32.191 1.00 23.34 C +ATOM 2648 CD2 LEU B 160 41.784 31.208 34.275 1.00 24.32 C +ATOM 2649 N TRP B 161 44.348 34.205 31.215 1.00 24.31 N +ATOM 2650 CA TRP B 161 43.922 35.442 30.593 1.00 20.27 C +ATOM 2651 C TRP B 161 42.648 35.336 29.757 1.00 19.76 C +ATOM 2652 O TRP B 161 42.374 34.288 29.164 1.00 21.60 O +ATOM 2653 CB TRP B 161 45.012 35.822 29.530 1.00 24.41 C +ATOM 2654 CG TRP B 161 46.326 36.203 30.141 1.00 24.32 C +ATOM 2655 CD1 TRP B 161 47.254 35.397 30.693 1.00 23.74 C +ATOM 2656 CD2 TRP B 161 46.871 37.528 30.159 1.00 26.29 C +ATOM 2657 NE1 TRP B 161 48.342 36.139 31.124 1.00 24.50 N +ATOM 2658 CE2 TRP B 161 48.137 37.448 30.771 1.00 28.53 C +ATOM 2659 CE3 TRP B 161 46.425 38.766 29.691 1.00 23.52 C +ATOM 2660 CZ2 TRP B 161 48.944 38.566 30.958 1.00 31.61 C +ATOM 2661 CZ3 TRP B 161 47.221 39.876 29.864 1.00 28.91 C +ATOM 2662 CH2 TRP B 161 48.475 39.775 30.521 1.00 32.50 C +ATOM 2663 N HIS B 162 41.886 36.423 29.718 1.00 19.29 N +ATOM 2664 CA HIS B 162 40.723 36.449 28.816 1.00 21.26 C +ATOM 2665 C HIS B 162 41.243 36.821 27.403 1.00 21.40 C +ATOM 2666 O HIS B 162 41.898 37.853 27.307 1.00 21.60 O +ATOM 2667 CB HIS B 162 39.845 37.630 29.219 1.00 22.91 C +ATOM 2668 CG HIS B 162 39.027 37.378 30.457 1.00 23.22 C +ATOM 2669 ND1 HIS B 162 37.686 37.132 30.412 1.00 25.43 N +ATOM 2670 CD2 HIS B 162 39.427 37.306 31.761 1.00 24.74 C +ATOM 2671 CE1 HIS B 162 37.239 36.935 31.657 1.00 26.99 C +ATOM 2672 NE2 HIS B 162 38.286 37.043 32.481 1.00 24.19 N +ATOM 2673 N ALA B 163 40.933 36.044 26.383 1.00 21.20 N +ATOM 2674 CA ALA B 163 41.363 36.523 25.037 1.00 19.59 C +ATOM 2675 C ALA B 163 40.353 37.584 24.589 1.00 18.93 C +ATOM 2676 O ALA B 163 39.158 37.313 24.679 1.00 22.71 O +ATOM 2677 CB ALA B 163 41.217 35.364 24.064 1.00 19.96 C +ATOM 2678 N LEU B 164 40.815 38.741 24.193 1.00 17.96 N +ATOM 2679 CA LEU B 164 39.910 39.789 23.650 1.00 19.21 C +ATOM 2680 C LEU B 164 40.191 39.914 22.157 1.00 18.86 C +ATOM 2681 O LEU B 164 40.804 39.029 21.556 1.00 18.72 O +ATOM 2682 CB LEU B 164 40.233 41.122 24.345 1.00 16.80 C +ATOM 2683 CG LEU B 164 40.292 40.953 25.913 1.00 17.53 C +ATOM 2684 CD1 LEU B 164 40.719 42.292 26.514 1.00 19.92 C +ATOM 2685 CD2 LEU B 164 38.932 40.517 26.388 1.00 20.29 C +ATOM 2686 N THR B 165 39.710 40.978 21.510 1.00 17.64 N +ATOM 2687 CA THR B 165 40.084 41.196 20.097 1.00 17.07 C +ATOM 2688 C THR B 165 40.311 42.711 20.031 1.00 16.73 C +ATOM 2689 O THR B 165 39.789 43.470 20.876 1.00 19.77 O +ATOM 2690 CB THR B 165 39.019 40.744 19.094 1.00 17.54 C +ATOM 2691 OG1 THR B 165 37.896 41.643 19.075 1.00 18.38 O +ATOM 2692 CG2 THR B 165 38.470 39.355 19.398 1.00 19.68 C +ATOM 2693 N PRO B 166 41.013 43.204 19.014 1.00 16.31 N +ATOM 2694 CA PRO B 166 41.497 42.437 17.934 1.00 18.04 C +ATOM 2695 C PRO B 166 42.570 41.413 18.165 1.00 21.32 C +ATOM 2696 O PRO B 166 43.225 41.358 19.206 1.00 20.13 O +ATOM 2697 CB PRO B 166 42.071 43.513 16.944 1.00 18.99 C +ATOM 2698 CG PRO B 166 41.361 44.770 17.314 1.00 18.24 C +ATOM 2699 CD PRO B 166 41.186 44.681 18.844 1.00 17.89 C +ATOM 2700 N GLN B 167 42.726 40.556 17.140 1.00 17.19 N +ATOM 2701 CA GLN B 167 43.745 39.508 17.096 1.00 21.20 C +ATOM 2702 C GLN B 167 44.533 39.855 15.785 1.00 22.22 C +ATOM 2703 O GLN B 167 43.926 40.018 14.729 1.00 21.57 O +ATOM 2704 CB GLN B 167 43.148 38.131 17.115 1.00 19.04 C +ATOM 2705 CG GLN B 167 42.220 37.984 18.370 1.00 18.09 C +ATOM 2706 CD GLN B 167 42.053 36.570 18.831 1.00 18.73 C +ATOM 2707 OE1 GLN B 167 42.406 35.636 18.150 1.00 18.50 O +ATOM 2708 NE2 GLN B 167 41.563 36.404 20.087 1.00 16.73 N +ATOM 2709 N PHE B 168 45.828 40.044 15.981 1.00 19.76 N +ATOM 2710 CA PHE B 168 46.656 40.615 14.888 1.00 19.53 C +ATOM 2711 C PHE B 168 47.748 39.672 14.441 1.00 21.57 C +ATOM 2712 O PHE B 168 48.556 39.242 15.256 1.00 20.81 O +ATOM 2713 CB PHE B 168 47.226 41.902 15.452 1.00 18.29 C +ATOM 2714 CG PHE B 168 48.030 42.752 14.501 1.00 19.63 C +ATOM 2715 CD1 PHE B 168 49.320 43.131 14.877 1.00 24.50 C +ATOM 2716 CD2 PHE B 168 47.504 43.233 13.330 1.00 20.67 C +ATOM 2717 CE1 PHE B 168 50.052 43.974 14.037 1.00 22.18 C +ATOM 2718 CE2 PHE B 168 48.235 44.035 12.472 1.00 22.05 C +ATOM 2719 CZ PHE B 168 49.503 44.420 12.852 1.00 21.47 C +ATOM 2720 N PHE B 169 47.709 39.307 13.144 1.00 20.67 N +ATOM 2721 CA PHE B 169 48.678 38.301 12.671 1.00 20.14 C +ATOM 2722 C PHE B 169 49.112 38.606 11.236 1.00 21.97 C +ATOM 2723 O PHE B 169 48.397 39.243 10.444 1.00 22.29 O +ATOM 2724 CB PHE B 169 47.920 36.946 12.537 1.00 22.45 C +ATOM 2725 CG PHE B 169 47.259 36.484 13.802 1.00 20.89 C +ATOM 2726 CD1 PHE B 169 45.889 36.586 13.972 1.00 24.79 C +ATOM 2727 CD2 PHE B 169 48.043 35.991 14.839 1.00 23.92 C +ATOM 2728 CE1 PHE B 169 45.305 36.194 15.167 1.00 26.16 C +ATOM 2729 CE2 PHE B 169 47.455 35.610 16.023 1.00 29.32 C +ATOM 2730 CZ PHE B 169 46.088 35.716 16.209 1.00 23.35 C +ATOM 2731 N PRO B 170 50.246 38.039 10.862 1.00 23.63 N +ATOM 2732 CA PRO B 170 50.676 38.116 9.459 1.00 24.48 C +ATOM 2733 C PRO B 170 49.581 37.437 8.614 1.00 23.89 C +ATOM 2734 O PRO B 170 49.088 36.366 8.894 1.00 25.11 O +ATOM 2735 CB PRO B 170 51.973 37.329 9.423 1.00 25.00 C +ATOM 2736 CG PRO B 170 52.477 37.405 10.826 1.00 25.74 C +ATOM 2737 CD PRO B 170 51.194 37.240 11.673 1.00 23.15 C +ATOM 2738 N ARG B 171 49.259 38.082 7.488 1.00 24.06 N +ATOM 2739 CA ARG B 171 48.198 37.651 6.603 1.00 23.74 C +ATOM 2740 C ARG B 171 48.310 36.249 6.075 1.00 24.96 C +ATOM 2741 O ARG B 171 47.372 35.439 6.184 1.00 25.17 O +ATOM 2742 CB ARG B 171 48.134 38.651 5.410 1.00 20.90 C +ATOM 2743 CG ARG B 171 46.960 38.282 4.492 1.00 28.00 C +ATOM 2744 CD ARG B 171 46.836 39.370 3.441 1.00 26.64 C +ATOM 2745 NE ARG B 171 45.994 38.930 2.332 1.00 29.31 N +ATOM 2746 CZ ARG B 171 45.792 39.797 1.297 1.00 29.57 C +ATOM 2747 NH1 ARG B 171 45.016 39.417 0.316 1.00 26.31 N +ATOM 2748 NH2 ARG B 171 46.362 40.991 1.358 1.00 31.47 N +ATOM 2749 N GLU B 172 49.468 35.890 5.536 1.00 26.86 N +ATOM 2750 CA GLU B 172 49.653 34.554 4.977 1.00 27.11 C +ATOM 2751 C GLU B 172 49.644 33.496 6.058 1.00 25.57 C +ATOM 2752 O GLU B 172 49.052 32.420 5.884 1.00 27.29 O +ATOM 2753 CB GLU B 172 50.947 34.536 4.135 1.00 36.94 C +ATOM 2754 CG GLU B 172 51.202 33.207 3.466 1.00 45.89 C +ATOM 2755 CD GLU B 172 52.288 33.230 2.408 1.00 49.45 C +ATOM 2756 OE1 GLU B 172 53.412 33.696 2.684 1.00 49.91 O +ATOM 2757 OE2 GLU B 172 51.998 32.753 1.283 1.00 53.08 O +ATOM 2758 N LEU B 173 50.314 33.786 7.178 1.00 25.52 N +ATOM 2759 CA LEU B 173 50.319 32.848 8.300 1.00 25.94 C +ATOM 2760 C LEU B 173 48.888 32.610 8.758 1.00 25.58 C +ATOM 2761 O LEU B 173 48.425 31.466 8.900 1.00 24.19 O +ATOM 2762 CB LEU B 173 51.178 33.385 9.452 1.00 30.65 C +ATOM 2763 CG LEU B 173 51.304 32.521 10.706 1.00 28.09 C +ATOM 2764 CD1 LEU B 173 51.997 31.193 10.360 1.00 34.86 C +ATOM 2765 CD2 LEU B 173 52.044 33.216 11.828 1.00 31.12 C +ATOM 2766 N LEU B 174 48.133 33.713 8.901 1.00 24.25 N +ATOM 2767 CA LEU B 174 46.749 33.504 9.360 1.00 25.71 C +ATOM 2768 C LEU B 174 45.972 32.663 8.358 1.00 22.63 C +ATOM 2769 O LEU B 174 45.189 31.779 8.697 1.00 24.63 O +ATOM 2770 CB LEU B 174 46.046 34.856 9.558 1.00 23.96 C +ATOM 2771 CG LEU B 174 44.575 34.753 9.960 1.00 23.24 C +ATOM 2772 CD1 LEU B 174 44.436 34.077 11.319 1.00 25.01 C +ATOM 2773 CD2 LEU B 174 44.007 36.189 10.070 1.00 23.00 C +ATOM 2774 N HIS B 175 46.068 33.048 7.073 1.00 22.79 N +ATOM 2775 CA HIS B 175 45.376 32.310 6.040 1.00 23.20 C +ATOM 2776 C HIS B 175 45.684 30.813 6.080 1.00 24.12 C +ATOM 2777 O HIS B 175 44.808 29.955 5.999 1.00 23.74 O +ATOM 2778 CB HIS B 175 45.800 32.868 4.669 1.00 23.45 C +ATOM 2779 CG HIS B 175 45.352 32.014 3.516 1.00 28.18 C +ATOM 2780 ND1 HIS B 175 46.044 30.874 3.152 1.00 28.03 N +ATOM 2781 CD2 HIS B 175 44.295 32.108 2.690 1.00 26.43 C +ATOM 2782 CE1 HIS B 175 45.422 30.289 2.146 1.00 30.43 C +ATOM 2783 NE2 HIS B 175 44.354 31.020 1.834 1.00 25.87 N +ATOM 2784 N ASP B 176 46.966 30.503 6.076 1.00 23.41 N +ATOM 2785 CA ASP B 176 47.412 29.110 5.998 1.00 26.12 C +ATOM 2786 C ASP B 176 46.958 28.281 7.181 1.00 27.30 C +ATOM 2787 O ASP B 176 46.493 27.151 7.061 1.00 27.59 O +ATOM 2788 CB ASP B 176 48.915 29.059 5.843 1.00 29.00 C +ATOM 2789 CG ASP B 176 49.407 29.610 4.523 1.00 29.45 C +ATOM 2790 OD1 ASP B 176 48.575 29.905 3.644 1.00 31.51 O +ATOM 2791 OD2 ASP B 176 50.654 29.769 4.404 1.00 32.98 O +ATOM 2792 N CYS B 177 47.072 28.929 8.351 1.00 28.26 N +ATOM 2793 CA CYS B 177 46.673 28.247 9.546 1.00 28.12 C +ATOM 2794 C CYS B 177 45.184 28.025 9.657 1.00 28.73 C +ATOM 2795 O CYS B 177 44.698 26.956 10.061 1.00 29.34 O +ATOM 2796 CB CYS B 177 47.193 29.041 10.753 1.00 30.02 C +ATOM 2797 SG ACYS B 177 48.936 28.945 11.122 0.65 26.98 S +ATOM 2798 SG BCYS B 177 46.439 28.285 12.154 0.35 27.47 S +ATOM 2799 N LEU B 178 44.361 29.045 9.289 1.00 26.02 N +ATOM 2800 CA LEU B 178 42.917 28.818 9.316 1.00 23.12 C +ATOM 2801 C LEU B 178 42.512 27.751 8.302 1.00 23.57 C +ATOM 2802 O LEU B 178 41.647 26.890 8.549 1.00 25.87 O +ATOM 2803 CB LEU B 178 42.155 30.117 8.952 1.00 21.00 C +ATOM 2804 CG LEU B 178 42.135 31.161 10.064 1.00 24.45 C +ATOM 2805 CD1 LEU B 178 41.544 32.449 9.489 1.00 23.01 C +ATOM 2806 CD2 LEU B 178 41.335 30.668 11.256 1.00 26.05 C +ATOM 2807 N THR B 179 43.178 27.729 7.167 1.00 24.80 N +ATOM 2808 CA THR B 179 42.895 26.707 6.143 1.00 23.81 C +ATOM 2809 C THR B 179 43.269 25.312 6.682 1.00 25.04 C +ATOM 2810 O THR B 179 42.498 24.376 6.475 1.00 27.84 O +ATOM 2811 CB THR B 179 43.666 27.016 4.868 1.00 28.28 C +ATOM 2812 OG1 THR B 179 43.278 28.369 4.423 1.00 24.91 O +ATOM 2813 CG2 THR B 179 43.416 26.014 3.766 1.00 30.07 C +ATOM 2814 N ARG B 180 44.444 25.153 7.256 1.00 26.93 N +ATOM 2815 CA ARG B 180 44.823 23.836 7.830 1.00 28.75 C +ATOM 2816 C ARG B 180 43.779 23.407 8.877 1.00 30.52 C +ATOM 2817 O ARG B 180 43.304 22.271 8.899 1.00 31.83 O +ATOM 2818 CB ARG B 180 46.163 23.959 8.551 1.00 34.37 C +ATOM 2819 CG ARG B 180 47.413 23.731 7.751 1.00 40.31 C +ATOM 2820 CD ARG B 180 48.588 23.308 8.629 1.00 43.54 C +ATOM 2821 NE ARG B 180 48.304 22.114 9.417 1.00 45.48 N +ATOM 2822 CZ ARG B 180 48.997 21.748 10.502 1.00 44.55 C +ATOM 2823 NH1 ARG B 180 48.669 20.637 11.158 1.00 41.53 N +ATOM 2824 NH2 ARG B 180 50.005 22.494 10.925 1.00 46.15 N +ATOM 2825 N ALA B 181 43.423 24.340 9.775 1.00 29.25 N +ATOM 2826 CA ALA B 181 42.448 24.055 10.814 1.00 33.19 C +ATOM 2827 C ALA B 181 41.155 23.512 10.254 1.00 34.68 C +ATOM 2828 O ALA B 181 40.608 22.517 10.774 1.00 37.49 O +ATOM 2829 CB ALA B 181 42.230 25.244 11.731 1.00 30.76 C +ATOM 2830 N LEU B 182 40.627 24.144 9.204 1.00 35.12 N +ATOM 2831 CA LEU B 182 39.410 23.683 8.570 1.00 37.24 C +ATOM 2832 C LEU B 182 39.604 22.354 7.847 1.00 37.40 C +ATOM 2833 O LEU B 182 38.807 21.437 8.056 1.00 39.95 O +ATOM 2834 CB LEU B 182 38.877 24.709 7.556 1.00 36.73 C +ATOM 2835 CG LEU B 182 38.248 25.956 8.165 1.00 35.24 C +ATOM 2836 CD1 LEU B 182 38.102 27.045 7.100 1.00 35.26 C +ATOM 2837 CD2 LEU B 182 36.908 25.614 8.820 1.00 36.21 C +ATOM 2838 N ASN B 183 40.657 22.229 7.049 1.00 36.56 N +ATOM 2839 CA ASN B 183 40.927 21.021 6.292 1.00 36.89 C +ATOM 2840 C ASN B 183 41.128 19.792 7.190 1.00 38.90 C +ATOM 2841 O ASN B 183 40.875 18.662 6.752 1.00 40.47 O +ATOM 2842 CB ASN B 183 42.171 21.193 5.412 1.00 40.22 C +ATOM 2843 CG ASN B 183 41.975 22.183 4.285 1.00 43.27 C +ATOM 2844 OD1 ASN B 183 40.838 22.539 3.963 1.00 49.70 O +ATOM 2845 ND2 ASN B 183 43.056 22.623 3.657 1.00 44.86 N +ATOM 2846 N GLU B 184 41.583 19.997 8.411 1.00 37.98 N +ATOM 2847 CA GLU B 184 41.811 18.858 9.304 1.00 41.84 C +ATOM 2848 C GLU B 184 40.719 18.704 10.331 1.00 42.48 C +ATOM 2849 O GLU B 184 40.857 17.910 11.271 1.00 45.16 O +ATOM 2850 CB GLU B 184 43.183 19.016 9.948 1.00 39.60 C +ATOM 2851 CG GLU B 184 44.296 19.009 8.902 1.00 35.82 C +ATOM 2852 CD GLU B 184 45.589 19.544 9.453 1.00 33.71 C +ATOM 2853 OE1 GLU B 184 46.410 20.023 8.649 1.00 37.30 O +ATOM 2854 OE2 GLU B 184 45.821 19.486 10.679 1.00 40.18 O +ATOM 2855 N GLY B 185 39.642 19.458 10.192 1.00 43.86 N +ATOM 2856 CA GLY B 185 38.506 19.427 11.080 1.00 45.07 C +ATOM 2857 C GLY B 185 38.855 19.688 12.526 1.00 45.84 C +ATOM 2858 O GLY B 185 38.374 19.005 13.445 1.00 47.53 O +ATOM 2859 N ALA B 186 39.707 20.666 12.785 1.00 44.53 N +ATOM 2860 CA ALA B 186 40.120 21.039 14.120 1.00 42.23 C +ATOM 2861 C ALA B 186 39.037 21.929 14.750 1.00 43.00 C +ATOM 2862 O ALA B 186 38.358 22.684 14.035 1.00 41.27 O +ATOM 2863 CB ALA B 186 41.427 21.807 14.100 1.00 43.71 C +ATOM 2864 N THR B 187 38.833 21.756 16.038 1.00 40.96 N +ATOM 2865 CA THR B 187 37.806 22.582 16.713 1.00 40.66 C +ATOM 2866 C THR B 187 38.500 23.819 17.251 1.00 39.81 C +ATOM 2867 O THR B 187 39.418 23.720 18.059 1.00 42.96 O +ATOM 2868 CB THR B 187 37.041 21.799 17.762 1.00 47.49 C +ATOM 2869 OG1 THR B 187 36.640 22.643 18.859 1.00 48.61 O +ATOM 2870 CG2 THR B 187 37.852 20.625 18.289 1.00 46.19 C +ATOM 2871 N ILE B 188 38.181 24.972 16.674 1.00 35.63 N +ATOM 2872 CA ILE B 188 38.788 26.238 17.049 1.00 33.57 C +ATOM 2873 C ILE B 188 37.775 27.256 17.551 1.00 27.33 C +ATOM 2874 O ILE B 188 36.571 27.143 17.278 1.00 28.64 O +ATOM 2875 CB ILE B 188 39.511 26.864 15.835 1.00 32.70 C +ATOM 2876 CG1 ILE B 188 38.585 26.832 14.618 1.00 37.94 C +ATOM 2877 CG2 ILE B 188 40.804 26.101 15.551 1.00 36.08 C +ATOM 2878 CD1 ILE B 188 39.140 27.602 13.421 1.00 41.27 C +ATOM 2879 N THR B 189 38.250 28.281 18.207 1.00 27.35 N +ATOM 2880 CA THR B 189 37.346 29.343 18.740 1.00 26.13 C +ATOM 2881 C THR B 189 37.792 30.675 18.154 1.00 26.24 C +ATOM 2882 O THR B 189 37.235 31.151 17.147 1.00 27.50 O +ATOM 2883 CB THR B 189 37.417 29.387 20.273 1.00 27.91 C +ATOM 2884 OG1 THR B 189 38.809 29.311 20.660 1.00 26.23 O +ATOM 2885 CG2 THR B 189 36.675 28.183 20.865 1.00 35.75 C +ATOM 2886 N ASP B 190 38.857 31.262 18.694 1.00 22.91 N +ATOM 2887 CA ASP B 190 39.323 32.529 18.116 1.00 20.68 C +ATOM 2888 C ASP B 190 40.440 32.256 17.113 1.00 21.05 C +ATOM 2889 O ASP B 190 40.798 31.087 16.867 1.00 20.81 O +ATOM 2890 CB ASP B 190 39.767 33.478 19.215 1.00 20.10 C +ATOM 2891 CG ASP B 190 40.908 32.956 20.078 1.00 20.77 C +ATOM 2892 OD1 ASP B 190 41.389 31.841 19.857 1.00 20.30 O +ATOM 2893 OD2 ASP B 190 41.296 33.721 20.976 1.00 21.46 O +ATOM 2894 N GLU B 191 40.923 33.331 16.492 1.00 19.59 N +ATOM 2895 CA GLU B 191 41.998 33.173 15.490 1.00 21.53 C +ATOM 2896 C GLU B 191 43.267 32.697 16.173 1.00 23.12 C +ATOM 2897 O GLU B 191 44.019 31.894 15.620 1.00 23.35 O +ATOM 2898 CB GLU B 191 42.247 34.495 14.748 1.00 19.22 C +ATOM 2899 CG GLU B 191 41.133 34.846 13.758 1.00 19.39 C +ATOM 2900 CD GLU B 191 39.850 35.243 14.469 1.00 21.22 C +ATOM 2901 OE1 GLU B 191 39.912 35.938 15.504 1.00 25.80 O +ATOM 2902 OE2 GLU B 191 38.792 34.807 14.004 1.00 23.14 O +ATOM 2903 N ALA B 192 43.481 33.138 17.440 1.00 21.39 N +ATOM 2904 CA ALA B 192 44.704 32.642 18.110 1.00 21.04 C +ATOM 2905 C ALA B 192 44.668 31.132 18.243 1.00 21.62 C +ATOM 2906 O ALA B 192 45.749 30.494 18.114 1.00 23.97 O +ATOM 2907 CB ALA B 192 44.809 33.305 19.468 1.00 17.59 C +ATOM 2908 N SER B 193 43.506 30.541 18.471 1.00 19.90 N +ATOM 2909 CA SER B 193 43.374 29.083 18.632 1.00 23.09 C +ATOM 2910 C SER B 193 43.780 28.349 17.361 1.00 26.49 C +ATOM 2911 O SER B 193 44.320 27.226 17.411 1.00 22.41 O +ATOM 2912 CB SER B 193 42.010 28.653 19.122 1.00 26.76 C +ATOM 2913 OG SER B 193 41.004 28.757 18.096 1.00 25.70 O +ATOM 2914 N ALA B 194 43.514 28.961 16.212 1.00 24.82 N +ATOM 2915 CA ALA B 194 43.978 28.368 14.960 1.00 27.43 C +ATOM 2916 C ALA B 194 45.508 28.416 14.980 1.00 27.04 C +ATOM 2917 O ALA B 194 46.129 27.406 14.516 1.00 27.31 O +ATOM 2918 CB ALA B 194 43.419 29.172 13.779 1.00 25.45 C +ATOM 2919 N LEU B 195 46.138 29.527 15.299 1.00 24.81 N +ATOM 2920 CA LEU B 195 47.613 29.622 15.300 1.00 26.06 C +ATOM 2921 C LEU B 195 48.196 28.587 16.252 1.00 27.78 C +ATOM 2922 O LEU B 195 49.241 27.937 15.982 1.00 29.41 O +ATOM 2923 CB LEU B 195 48.127 30.993 15.629 1.00 25.57 C +ATOM 2924 CG LEU B 195 48.384 32.036 14.544 1.00 31.79 C +ATOM 2925 CD1 LEU B 195 49.557 31.648 13.679 1.00 34.20 C +ATOM 2926 CD2 LEU B 195 47.138 32.265 13.684 1.00 27.31 C +ATOM 2927 N GLU B 196 47.568 28.475 17.410 1.00 25.78 N +ATOM 2928 CA GLU B 196 47.987 27.501 18.418 1.00 26.39 C +ATOM 2929 C GLU B 196 47.896 26.104 17.839 1.00 27.44 C +ATOM 2930 O GLU B 196 48.876 25.357 17.964 1.00 26.27 O +ATOM 2931 CB GLU B 196 47.068 27.605 19.656 1.00 27.02 C +ATOM 2932 CG GLU B 196 47.221 28.942 20.376 1.00 25.65 C +ATOM 2933 CD GLU B 196 45.975 29.264 21.213 1.00 25.99 C +ATOM 2934 OE1 GLU B 196 45.356 28.326 21.723 1.00 25.91 O +ATOM 2935 OE2 GLU B 196 45.636 30.456 21.297 1.00 25.43 O +ATOM 2936 N TYR B 197 46.797 25.763 17.165 1.00 26.73 N +ATOM 2937 CA TYR B 197 46.628 24.475 16.520 1.00 28.41 C +ATOM 2938 C TYR B 197 47.770 24.171 15.567 1.00 31.32 C +ATOM 2939 O TYR B 197 48.186 22.982 15.457 1.00 30.51 O +ATOM 2940 CB TYR B 197 45.324 24.352 15.725 1.00 28.75 C +ATOM 2941 CG TYR B 197 45.189 23.040 14.973 1.00 30.20 C +ATOM 2942 CD1 TYR B 197 45.380 22.988 13.598 1.00 27.55 C +ATOM 2943 CD2 TYR B 197 44.936 21.849 15.658 1.00 32.93 C +ATOM 2944 CE1 TYR B 197 45.272 21.792 12.908 1.00 28.62 C +ATOM 2945 CE2 TYR B 197 44.842 20.648 14.959 1.00 33.00 C +ATOM 2946 CZ TYR B 197 45.042 20.625 13.610 1.00 32.12 C +ATOM 2947 OH TYR B 197 44.934 19.441 12.897 1.00 33.43 O +ATOM 2948 N CYS B 198 48.273 25.170 14.879 1.00 31.58 N +ATOM 2949 CA CYS B 198 49.377 25.032 13.946 1.00 33.09 C +ATOM 2950 C CYS B 198 50.743 25.030 14.570 1.00 33.85 C +ATOM 2951 O CYS B 198 51.750 24.974 13.851 1.00 31.95 O +ATOM 2952 CB CYS B 198 49.244 26.096 12.833 1.00 38.89 C +ATOM 2953 SG CYS B 198 47.686 25.731 11.943 1.00 37.37 S +ATOM 2954 N GLY B 199 50.817 25.109 15.899 1.00 30.75 N +ATOM 2955 CA GLY B 199 52.078 25.038 16.615 1.00 31.41 C +ATOM 2956 C GLY B 199 52.676 26.314 17.034 1.00 31.51 C +ATOM 2957 O GLY B 199 53.815 26.381 17.538 1.00 35.04 O +ATOM 2958 N PHE B 200 51.926 27.442 16.923 1.00 26.45 N +ATOM 2959 CA PHE B 200 52.482 28.734 17.294 1.00 25.45 C +ATOM 2960 C PHE B 200 52.020 29.249 18.644 1.00 25.08 C +ATOM 2961 O PHE B 200 51.084 28.713 19.239 1.00 24.53 O +ATOM 2962 CB PHE B 200 52.115 29.760 16.177 1.00 28.40 C +ATOM 2963 CG PHE B 200 52.746 29.364 14.854 1.00 31.10 C +ATOM 2964 CD1 PHE B 200 54.088 29.531 14.635 1.00 33.82 C +ATOM 2965 CD2 PHE B 200 51.949 28.831 13.853 1.00 33.66 C +ATOM 2966 CE1 PHE B 200 54.661 29.175 13.412 1.00 32.75 C +ATOM 2967 CE2 PHE B 200 52.501 28.493 12.632 1.00 35.54 C +ATOM 2968 CZ PHE B 200 53.856 28.681 12.431 1.00 32.72 C +ATOM 2969 N HIS B 201 52.665 30.288 19.171 1.00 26.79 N +ATOM 2970 CA HIS B 201 52.348 30.853 20.484 1.00 27.68 C +ATOM 2971 C HIS B 201 52.242 32.338 20.455 1.00 27.61 C +ATOM 2972 O HIS B 201 53.160 33.102 20.808 1.00 27.28 O +ATOM 2973 CB HIS B 201 53.525 30.430 21.464 1.00 27.41 C +ATOM 2974 CG HIS B 201 53.465 28.940 21.674 1.00 29.45 C +ATOM 2975 ND1 HIS B 201 54.279 28.092 20.911 1.00 35.96 N +ATOM 2976 CD2 HIS B 201 52.705 28.137 22.423 1.00 22.89 C +ATOM 2977 CE1 HIS B 201 54.000 26.838 21.239 1.00 29.02 C +ATOM 2978 NE2 HIS B 201 53.071 26.832 22.152 1.00 32.79 N +ATOM 2979 N PRO B 202 51.094 32.876 19.975 1.00 26.48 N +ATOM 2980 CA PRO B 202 50.916 34.301 19.861 1.00 27.43 C +ATOM 2981 C PRO B 202 51.103 35.084 21.131 1.00 27.40 C +ATOM 2982 O PRO B 202 50.789 34.638 22.238 1.00 27.08 O +ATOM 2983 CB PRO B 202 49.504 34.443 19.290 1.00 25.66 C +ATOM 2984 CG PRO B 202 49.179 33.124 18.683 1.00 27.20 C +ATOM 2985 CD PRO B 202 49.936 32.092 19.525 1.00 26.74 C +ATOM 2986 N GLN B 203 51.548 36.327 21.035 1.00 28.06 N +ATOM 2987 CA GLN B 203 51.770 37.181 22.182 1.00 27.20 C +ATOM 2988 C GLN B 203 50.463 37.631 22.831 1.00 29.38 C +ATOM 2989 O GLN B 203 49.417 37.750 22.178 1.00 27.60 O +ATOM 2990 CB GLN B 203 52.509 38.469 21.736 1.00 34.62 C +ATOM 2991 CG GLN B 203 53.954 38.251 21.321 1.00 40.01 C +ATOM 2992 CD GLN B 203 54.773 37.782 22.524 1.00 45.72 C +ATOM 2993 OE1 GLN B 203 54.830 38.507 23.517 1.00 47.15 O +ATOM 2994 NE2 GLN B 203 55.293 36.567 22.432 1.00 49.28 N +ATOM 2995 N LEU B 204 50.539 37.818 24.153 1.00 26.21 N +ATOM 2996 CA LEU B 204 49.424 38.364 24.907 1.00 24.70 C +ATOM 2997 C LEU B 204 49.733 39.845 25.157 1.00 27.12 C +ATOM 2998 O LEU B 204 50.804 40.171 25.715 1.00 27.91 O +ATOM 2999 CB LEU B 204 49.198 37.645 26.220 1.00 24.96 C +ATOM 3000 CG LEU B 204 48.829 36.164 26.099 1.00 27.42 C +ATOM 3001 CD1 LEU B 204 49.160 35.464 27.422 1.00 28.99 C +ATOM 3002 CD2 LEU B 204 47.357 36.001 25.786 1.00 24.90 C +ATOM 3003 N VAL B 205 48.974 40.728 24.543 1.00 22.22 N +ATOM 3004 CA VAL B 205 49.189 42.170 24.751 1.00 23.36 C +ATOM 3005 C VAL B 205 48.091 42.606 25.712 1.00 24.48 C +ATOM 3006 O VAL B 205 46.908 42.504 25.425 1.00 23.20 O +ATOM 3007 CB VAL B 205 49.121 42.989 23.464 1.00 23.02 C +ATOM 3008 CG1 VAL B 205 49.291 44.462 23.724 1.00 25.29 C +ATOM 3009 CG2 VAL B 205 50.185 42.479 22.471 1.00 24.95 C +ATOM 3010 N GLU B 206 48.520 43.040 26.914 1.00 23.25 N +ATOM 3011 CA GLU B 206 47.484 43.404 27.883 1.00 21.95 C +ATOM 3012 C GLU B 206 46.687 44.617 27.461 1.00 24.23 C +ATOM 3013 O GLU B 206 47.216 45.674 27.097 1.00 26.51 O +ATOM 3014 CB GLU B 206 48.075 43.640 29.284 1.00 27.61 C +ATOM 3015 CG GLU B 206 46.942 43.979 30.267 1.00 27.86 C +ATOM 3016 CD GLU B 206 47.446 43.980 31.714 1.00 34.04 C +ATOM 3017 OE1 GLU B 206 46.622 44.291 32.581 1.00 32.66 O +ATOM 3018 OE2 GLU B 206 48.642 43.706 31.931 1.00 32.92 O +ATOM 3019 N GLY B 207 45.353 44.457 27.459 1.00 22.13 N +ATOM 3020 CA GLY B 207 44.448 45.503 27.084 1.00 25.60 C +ATOM 3021 C GLY B 207 43.455 45.784 28.190 1.00 24.49 C +ATOM 3022 O GLY B 207 43.434 45.017 29.188 1.00 27.11 O +ATOM 3023 N ARG B 208 42.684 46.840 28.057 1.00 24.40 N +ATOM 3024 CA ARG B 208 41.700 47.191 29.066 1.00 23.76 C +ATOM 3025 C ARG B 208 40.621 46.111 29.172 1.00 27.02 C +ATOM 3026 O ARG B 208 40.125 45.606 28.201 1.00 24.97 O +ATOM 3027 CB ARG B 208 41.027 48.510 28.753 1.00 27.10 C +ATOM 3028 CG ARG B 208 41.950 49.705 28.628 1.00 25.67 C +ATOM 3029 CD ARG B 208 41.243 50.800 27.832 1.00 33.79 C +ATOM 3030 NE ARG B 208 40.029 51.258 28.535 1.00 33.51 N +ATOM 3031 CZ ARG B 208 40.031 52.460 29.138 1.00 41.99 C +ATOM 3032 NH1 ARG B 208 38.960 52.910 29.766 1.00 42.30 N +ATOM 3033 NH2 ARG B 208 41.147 53.192 29.099 1.00 43.59 N +ATOM 3034 N ALA B 209 40.215 45.812 30.433 1.00 24.03 N +ATOM 3035 CA ALA B 209 39.167 44.828 30.647 1.00 24.53 C +ATOM 3036 C ALA B 209 37.799 45.318 30.253 1.00 23.71 C +ATOM 3037 O ALA B 209 36.844 44.527 30.126 1.00 24.48 O +ATOM 3038 CB ALA B 209 39.191 44.401 32.138 1.00 24.29 C +ATOM 3039 N ASP B 210 37.623 46.645 30.031 1.00 23.37 N +ATOM 3040 CA ASP B 210 36.317 47.157 29.618 1.00 23.57 C +ATOM 3041 C ASP B 210 36.066 47.038 28.125 1.00 22.86 C +ATOM 3042 O ASP B 210 35.062 47.517 27.583 1.00 21.93 O +ATOM 3043 CB ASP B 210 36.071 48.556 30.133 1.00 26.39 C +ATOM 3044 CG ASP B 210 36.946 49.632 29.570 1.00 32.67 C +ATOM 3045 OD1 ASP B 210 36.758 50.815 30.021 1.00 37.24 O +ATOM 3046 OD2 ASP B 210 37.831 49.388 28.731 1.00 30.54 O +ATOM 3047 N ASN B 211 36.965 46.338 27.429 1.00 20.62 N +ATOM 3048 CA ASN B 211 36.760 46.038 25.980 1.00 19.54 C +ATOM 3049 C ASN B 211 35.902 44.770 25.942 1.00 23.51 C +ATOM 3050 O ASN B 211 36.270 43.693 25.472 1.00 24.02 O +ATOM 3051 CB ASN B 211 38.161 45.759 25.390 1.00 20.91 C +ATOM 3052 CG ASN B 211 38.143 45.371 23.926 1.00 22.66 C +ATOM 3053 OD1 ASN B 211 37.162 45.565 23.230 1.00 22.16 O +ATOM 3054 ND2 ASN B 211 39.278 44.819 23.447 1.00 19.21 N +ATOM 3055 N ILE B 212 34.631 44.939 26.409 1.00 22.40 N +ATOM 3056 CA ILE B 212 33.736 43.813 26.503 1.00 23.52 C +ATOM 3057 C ILE B 212 33.010 43.415 25.242 1.00 23.36 C +ATOM 3058 O ILE B 212 32.800 44.212 24.334 1.00 23.20 O +ATOM 3059 CB ILE B 212 32.651 44.080 27.591 1.00 27.53 C +ATOM 3060 CG1 ILE B 212 31.804 45.278 27.191 1.00 29.25 C +ATOM 3061 CG2 ILE B 212 33.369 44.279 28.919 1.00 29.89 C +ATOM 3062 CD1 ILE B 212 30.593 45.580 28.025 1.00 36.08 C +ATOM 3063 N LYS B 213 32.531 42.176 25.248 1.00 22.10 N +ATOM 3064 CA LYS B 213 31.728 41.690 24.123 1.00 24.36 C +ATOM 3065 C LYS B 213 30.234 41.759 24.496 1.00 28.24 C +ATOM 3066 O LYS B 213 29.864 41.182 25.526 1.00 29.96 O +ATOM 3067 CB LYS B 213 32.117 40.257 23.783 1.00 26.38 C +ATOM 3068 CG LYS B 213 31.465 39.730 22.502 1.00 27.58 C +ATOM 3069 CD LYS B 213 32.005 38.309 22.187 1.00 32.50 C +ATOM 3070 CE LYS B 213 31.235 37.787 20.964 1.00 35.80 C +ATOM 3071 NZ LYS B 213 31.567 36.352 20.701 1.00 45.63 N +ATOM 3072 N VAL B 214 29.420 42.342 23.648 1.00 29.26 N +ATOM 3073 CA VAL B 214 27.968 42.435 23.899 1.00 29.19 C +ATOM 3074 C VAL B 214 27.290 41.157 23.390 1.00 31.42 C +ATOM 3075 O VAL B 214 27.219 40.916 22.176 1.00 30.25 O +ATOM 3076 CB VAL B 214 27.386 43.672 23.235 1.00 28.04 C +ATOM 3077 CG1 VAL B 214 25.859 43.767 23.488 1.00 29.05 C +ATOM 3078 CG2 VAL B 214 28.050 44.936 23.763 1.00 23.27 C +ATOM 3079 N THR B 215 26.901 40.280 24.331 1.00 32.33 N +ATOM 3080 CA THR B 215 26.269 39.022 23.938 1.00 35.39 C +ATOM 3081 C THR B 215 24.881 38.827 24.541 1.00 38.57 C +ATOM 3082 O THR B 215 24.099 38.017 23.997 1.00 40.30 O +ATOM 3083 CB THR B 215 27.130 37.800 24.255 1.00 37.50 C +ATOM 3084 OG1 THR B 215 27.429 37.682 25.630 1.00 38.54 O +ATOM 3085 CG2 THR B 215 28.458 37.843 23.493 1.00 41.22 C +ATOM 3086 N ARG B 216 24.560 39.507 25.600 1.00 37.64 N +ATOM 3087 CA ARG B 216 23.263 39.406 26.274 1.00 42.98 C +ATOM 3088 C ARG B 216 22.670 40.798 26.396 1.00 42.38 C +ATOM 3089 O ARG B 216 23.393 41.801 26.349 1.00 41.74 O +ATOM 3090 CB ARG B 216 23.385 38.697 27.617 1.00 41.30 C +ATOM 3091 CG ARG B 216 23.344 37.176 27.519 1.00 47.09 C +ATOM 3092 CD ARG B 216 21.927 36.682 27.224 1.00 49.60 C +ATOM 3093 N PRO B 217 21.367 40.894 26.620 1.00 44.29 N +ATOM 3094 CA PRO B 217 20.684 42.167 26.717 1.00 43.60 C +ATOM 3095 C PRO B 217 21.210 43.110 27.749 1.00 42.40 C +ATOM 3096 O PRO B 217 21.248 44.339 27.522 1.00 43.26 O +ATOM 3097 CB PRO B 217 19.222 41.811 26.891 1.00 44.08 C +ATOM 3098 CG PRO B 217 19.178 40.385 27.281 1.00 46.34 C +ATOM 3099 CD PRO B 217 20.431 39.747 26.737 1.00 45.51 C +ATOM 3100 N GLU B 218 21.745 42.634 28.876 1.00 42.73 N +ATOM 3101 CA GLU B 218 22.266 43.545 29.900 1.00 42.42 C +ATOM 3102 C GLU B 218 23.612 44.150 29.540 1.00 41.62 C +ATOM 3103 O GLU B 218 24.040 45.153 30.111 1.00 39.32 O +ATOM 3104 CB GLU B 218 22.414 42.770 31.221 1.00 49.86 C +ATOM 3105 CG GLU B 218 23.252 41.518 31.087 1.00 51.71 C +ATOM 3106 CD GLU B 218 22.472 40.267 30.764 1.00 54.13 C +ATOM 3107 OE1 GLU B 218 22.971 39.163 31.114 1.00 52.69 O +ATOM 3108 OE2 GLU B 218 21.381 40.349 30.156 1.00 53.22 O +ATOM 3109 N ASP B 219 24.325 43.522 28.598 1.00 40.16 N +ATOM 3110 CA ASP B 219 25.640 43.992 28.181 1.00 37.40 C +ATOM 3111 C ASP B 219 25.575 45.323 27.474 1.00 36.87 C +ATOM 3112 O ASP B 219 26.552 46.082 27.430 1.00 38.94 O +ATOM 3113 CB ASP B 219 26.308 42.945 27.270 1.00 37.04 C +ATOM 3114 CG ASP B 219 26.636 41.644 27.936 1.00 36.99 C +ATOM 3115 OD1 ASP B 219 26.759 41.566 29.172 1.00 41.41 O +ATOM 3116 OD2 ASP B 219 26.775 40.611 27.235 1.00 39.22 O +ATOM 3117 N LEU B 220 24.435 45.646 26.878 1.00 33.85 N +ATOM 3118 CA LEU B 220 24.201 46.856 26.161 1.00 35.44 C +ATOM 3119 C LEU B 220 24.307 48.095 27.030 1.00 36.94 C +ATOM 3120 O LEU B 220 24.935 49.088 26.676 1.00 36.09 O +ATOM 3121 CB LEU B 220 22.825 46.831 25.468 1.00 37.78 C +ATOM 3122 CG LEU B 220 22.649 47.937 24.413 1.00 42.55 C +ATOM 3123 CD1 LEU B 220 23.464 47.607 23.173 1.00 42.92 C +ATOM 3124 CD2 LEU B 220 21.177 48.127 24.061 1.00 45.25 C +ATOM 3125 N ALA B 221 23.678 48.047 28.224 1.00 37.10 N +ATOM 3126 CA ALA B 221 23.785 49.239 29.096 1.00 36.17 C +ATOM 3127 C ALA B 221 25.206 49.409 29.602 1.00 33.64 C +ATOM 3128 O ALA B 221 25.688 50.547 29.717 1.00 33.97 O +ATOM 3129 CB ALA B 221 22.781 49.165 30.222 1.00 36.66 C +ATOM 3130 N LEU B 222 25.888 48.310 29.893 1.00 33.19 N +ATOM 3131 CA LEU B 222 27.268 48.328 30.369 1.00 32.43 C +ATOM 3132 C LEU B 222 28.194 48.923 29.296 1.00 31.78 C +ATOM 3133 O LEU B 222 29.105 49.680 29.577 1.00 30.45 O +ATOM 3134 CB LEU B 222 27.740 46.918 30.657 1.00 37.53 C +ATOM 3135 CG LEU B 222 28.752 46.608 31.718 1.00 41.87 C +ATOM 3136 CD1 LEU B 222 29.547 45.346 31.370 1.00 40.15 C +ATOM 3137 CD2 LEU B 222 29.673 47.743 32.092 1.00 42.42 C +ATOM 3138 N ALA B 223 27.985 48.451 28.055 1.00 30.60 N +ATOM 3139 CA ALA B 223 28.781 49.006 26.939 1.00 29.03 C +ATOM 3140 C ALA B 223 28.538 50.496 26.811 1.00 28.27 C +ATOM 3141 O ALA B 223 29.454 51.311 26.608 1.00 30.46 O +ATOM 3142 CB ALA B 223 28.408 48.256 25.669 1.00 25.90 C +ATOM 3143 N GLU B 224 27.286 50.931 26.949 1.00 31.52 N +ATOM 3144 CA GLU B 224 26.979 52.369 26.862 1.00 31.56 C +ATOM 3145 C GLU B 224 27.717 53.147 27.931 1.00 29.88 C +ATOM 3146 O GLU B 224 28.335 54.197 27.708 1.00 31.87 O +ATOM 3147 CB GLU B 224 25.466 52.565 26.996 1.00 37.59 C +ATOM 3148 CG GLU B 224 25.063 54.034 27.081 1.00 44.16 C +ATOM 3149 CD GLU B 224 23.570 54.227 26.910 1.00 47.33 C +ATOM 3150 OE1 GLU B 224 22.784 53.552 27.611 1.00 50.27 O +ATOM 3151 OE2 GLU B 224 23.177 55.063 26.075 1.00 51.35 O +ATOM 3152 N PHE B 225 27.666 52.638 29.170 1.00 30.09 N +ATOM 3153 CA PHE B 225 28.365 53.271 30.272 1.00 28.56 C +ATOM 3154 C PHE B 225 29.837 53.456 29.946 1.00 30.69 C +ATOM 3155 O PHE B 225 30.411 54.533 30.097 1.00 30.12 O +ATOM 3156 CB PHE B 225 28.229 52.376 31.530 1.00 32.18 C +ATOM 3157 CG PHE B 225 29.101 52.873 32.653 1.00 33.99 C +ATOM 3158 CD1 PHE B 225 30.303 52.269 32.930 1.00 35.20 C +ATOM 3159 CD2 PHE B 225 28.714 53.989 33.393 1.00 34.92 C +ATOM 3160 CE1 PHE B 225 31.123 52.733 33.953 1.00 35.63 C +ATOM 3161 CE2 PHE B 225 29.529 54.453 34.415 1.00 37.07 C +ATOM 3162 CZ PHE B 225 30.729 53.833 34.694 1.00 36.18 C +ATOM 3163 N TYR B 226 30.474 52.384 29.436 1.00 28.96 N +ATOM 3164 CA TYR B 226 31.882 52.455 29.097 1.00 31.03 C +ATOM 3165 C TYR B 226 32.136 53.438 27.968 1.00 31.82 C +ATOM 3166 O TYR B 226 33.145 54.149 27.985 1.00 33.80 O +ATOM 3167 CB TYR B 226 32.419 51.070 28.686 1.00 33.05 C +ATOM 3168 CG TYR B 226 32.639 50.091 29.814 1.00 32.81 C +ATOM 3169 CD1 TYR B 226 32.472 48.728 29.613 1.00 32.54 C +ATOM 3170 CD2 TYR B 226 33.059 50.524 31.071 1.00 35.25 C +ATOM 3171 CE1 TYR B 226 32.671 47.817 30.635 1.00 33.32 C +ATOM 3172 CE2 TYR B 226 33.250 49.620 32.112 1.00 37.05 C +ATOM 3173 CZ TYR B 226 33.068 48.278 31.880 1.00 35.34 C +ATOM 3174 OH TYR B 226 33.280 47.365 32.889 1.00 34.35 O +ATOM 3175 N LEU B 227 31.236 53.491 26.990 1.00 33.27 N +ATOM 3176 CA LEU B 227 31.445 54.366 25.833 1.00 38.92 C +ATOM 3177 C LEU B 227 31.425 55.825 26.225 1.00 42.86 C +ATOM 3178 O LEU B 227 32.315 56.605 25.858 1.00 43.34 O +ATOM 3179 CB LEU B 227 30.466 54.042 24.708 1.00 36.13 C +ATOM 3180 CG LEU B 227 30.936 52.959 23.725 1.00 37.39 C +ATOM 3181 CD1 LEU B 227 30.006 52.878 22.523 1.00 37.56 C +ATOM 3182 CD2 LEU B 227 32.365 53.243 23.254 1.00 37.00 C +ATOM 3183 N THR B 228 30.460 56.175 27.076 1.00 43.63 N +ATOM 3184 CA THR B 228 30.386 57.552 27.601 1.00 49.66 C +ATOM 3185 C THR B 228 31.677 57.823 28.380 1.00 52.25 C +ATOM 3186 O THR B 228 32.184 58.940 28.408 1.00 53.68 O +ATOM 3187 CB THR B 228 29.139 57.696 28.470 1.00 50.53 C +ATOM 3188 OG1 THR B 228 28.001 57.344 27.644 1.00 53.11 O +ATOM 3189 CG2 THR B 228 28.980 59.105 28.997 1.00 50.51 C +ATOM 3190 N ARG B 229 32.266 56.762 28.885 1.00 54.68 N +ATOM 3191 CA ARG B 229 33.492 56.608 29.584 1.00 56.72 C +ATOM 3192 C ARG B 229 33.404 56.995 31.048 1.00 57.71 C +ATOM 3193 O ARG B 229 32.426 56.609 31.727 1.00 60.59 O +ATOM 3194 CB ARG B 229 34.675 57.249 28.868 1.00 53.75 C +ATOM 3195 CG ARG B 229 34.973 56.768 27.472 1.00 56.74 C +ATOM 3196 CD ARG B 229 35.798 55.503 27.403 1.00 55.81 C +TER 3197 ARG B 229 +HETATM 3198 O HOH A 237 33.923 36.238 30.793 1.00 24.25 O +HETATM 3199 O HOH A 238 26.379 30.591 68.091 1.00 24.07 O +HETATM 3200 O HOH A 239 39.282 22.933 44.114 1.00 26.95 O +HETATM 3201 O HOH A 240 28.500 43.599 44.238 1.00 25.77 O +HETATM 3202 O HOH A 241 25.473 41.279 68.942 1.00 22.02 O +HETATM 3203 O HOH A 242 25.033 37.922 41.220 1.00 24.80 O +HETATM 3204 O HOH A 243 36.037 19.689 61.785 1.00 27.56 O +HETATM 3205 O HOH A 244 44.175 16.957 54.884 1.00 29.46 O +HETATM 3206 O HOH A 245 38.173 29.013 25.928 1.00 28.22 O +HETATM 3207 O HOH A 246 24.360 42.064 41.294 1.00 31.37 O +HETATM 3208 O HOH A 247 25.162 36.062 34.676 1.00 32.82 O +HETATM 3209 O HOH A 248 35.590 40.472 27.608 1.00 26.19 O +HETATM 3210 O HOH A 249 28.934 17.489 47.676 1.00 28.13 O +HETATM 3211 O HOH A 250 33.108 28.707 64.587 1.00 26.02 O +HETATM 3212 O HOH A 251 31.048 40.449 38.414 1.00 30.90 O +HETATM 3213 O HOH A 252 41.921 17.873 49.959 1.00 25.73 O +HETATM 3214 O HOH A 253 17.804 28.284 60.805 1.00 28.97 O +HETATM 3215 O HOH A 254 22.617 40.457 65.048 1.00 26.41 O +HETATM 3216 O HOH A 255 38.637 19.144 62.472 1.00 31.87 O +HETATM 3217 O HOH A 256 35.022 31.392 71.077 1.00 33.78 O +HETATM 3218 O HOH A 257 38.439 39.686 56.989 1.00 43.86 O +HETATM 3219 O HOH A 258 40.495 23.777 47.893 1.00 28.21 O +HETATM 3220 O HOH A 259 30.094 43.924 35.578 1.00 40.57 O +HETATM 3221 O HOH A 260 18.991 40.996 65.982 1.00 29.61 O +HETATM 3222 O HOH A 261 29.095 26.845 63.800 1.00 30.45 O +HETATM 3223 O HOH A 262 25.690 20.297 44.674 1.00 33.18 O +HETATM 3224 O HOH A 263 22.873 39.948 42.064 1.00 27.81 O +HETATM 3225 O HOH A 264 22.848 46.107 46.067 1.00 29.20 O +HETATM 3226 O HOH A 265 29.479 36.658 32.801 1.00 36.39 O +HETATM 3227 O HOH A 266 36.737 43.979 66.624 1.00 35.16 O +HETATM 3228 O HOH A 267 16.379 41.286 57.431 1.00 30.78 O +HETATM 3229 O HOH A 268 25.277 20.224 57.651 1.00 28.68 O +HETATM 3230 O HOH A 269 29.731 18.331 58.913 1.00 33.99 O +HETATM 3231 O HOH A 270 35.009 20.860 64.139 1.00 34.49 O +HETATM 3232 O HOH A 271 35.390 33.917 71.278 1.00 30.74 O +HETATM 3233 O HOH A 272 34.953 36.921 46.285 1.00 47.25 O +HETATM 3234 O HOH A 273 24.418 19.102 55.166 1.00 30.98 O +HETATM 3235 O HOH A 274 34.781 40.683 52.850 1.00 30.36 O +HETATM 3236 O HOH A 275 31.958 37.947 37.478 1.00 32.07 O +HETATM 3237 O HOH A 276 30.879 29.218 30.311 1.00 38.68 O +HETATM 3238 O HOH A 277 30.719 27.846 65.801 1.00 33.84 O +HETATM 3239 O HOH A 278 46.031 25.343 31.680 1.00 31.63 O +HETATM 3240 O HOH A 279 28.209 24.644 34.019 1.00 29.37 O +HETATM 3241 O HOH A 280 34.556 41.977 40.395 1.00 36.71 O +HETATM 3242 O HOH A 281 22.588 50.103 48.476 1.00 50.81 O +HETATM 3243 O HOH A 282 13.831 30.976 50.553 1.00 35.10 O +HETATM 3244 O HOH A 283 51.340 30.418 33.182 1.00 35.83 O +HETATM 3245 O HOH A 284 41.087 21.290 47.090 1.00 33.17 O +HETATM 3246 O HOH A 285 19.222 44.390 46.768 1.00 41.43 O +HETATM 3247 O HOH A 286 26.891 37.021 32.642 1.00 33.88 O +HETATM 3248 O HOH A 287 22.547 47.414 48.540 1.00 44.39 O +HETATM 3249 O HOH A 288 36.826 27.271 24.574 1.00 40.41 O +HETATM 3250 O HOH A 289 28.628 24.084 64.191 1.00 40.20 O +HETATM 3251 O HOH A 290 34.968 17.273 62.018 1.00 35.89 O +HETATM 3252 O HOH A 291 17.261 39.909 64.124 1.00 30.02 O +HETATM 3253 O HOH A 292 35.197 42.189 50.247 1.00 37.47 O +HETATM 3254 O HOH A 293 12.822 34.254 48.629 1.00 37.99 O +HETATM 3255 O HOH A 294 36.956 13.763 51.517 1.00 28.05 O +HETATM 3256 O HOH A 295 29.137 56.381 37.863 1.00 36.24 O +HETATM 3257 O HOH A 296 21.745 28.885 37.651 1.00 39.21 O +HETATM 3258 O HOH A 297 14.306 39.814 58.280 1.00 47.47 O +HETATM 3259 O HOH A 298 36.893 34.673 68.015 1.00 34.52 O +HETATM 3260 O HOH A 299 29.982 27.999 32.279 1.00 40.49 O +HETATM 3261 O HOH A 300 37.528 37.817 70.114 1.00 42.54 O +HETATM 3262 O HOH A 301 38.570 54.296 52.519 1.00 39.93 O +HETATM 3263 O HOH A 302 26.070 43.741 33.268 1.00 39.38 O +HETATM 3264 O HOH A 303 22.705 54.935 39.478 1.00 52.96 O +HETATM 3265 O HOH A 304 20.846 52.612 38.442 1.00 63.47 O +HETATM 3266 O HOH A 305 14.491 34.954 42.428 1.00 48.64 O +HETATM 3267 O HOH A 306 44.559 29.859 53.191 1.00 47.40 O +HETATM 3268 O HOH A 307 23.730 48.152 69.433 1.00 44.15 O +HETATM 3269 O HOH A 308 14.163 31.954 48.045 1.00 32.61 O +HETATM 3270 O HOH A 309 41.538 28.088 46.986 1.00 34.42 O +HETATM 3271 O HOH A 310 36.706 25.697 64.769 1.00 36.22 O +HETATM 3272 O HOH A 311 53.166 32.368 34.061 1.00 51.13 O +HETATM 3273 O HOH A 312 23.839 52.491 56.783 1.00 55.43 O +HETATM 3274 O HOH A 313 29.804 30.090 70.057 1.00 32.81 O +HETATM 3275 O HOH A 314 17.114 35.757 39.565 1.00 43.08 O +HETATM 3276 O HOH A 315 31.483 34.449 50.425 1.00 34.86 O +HETATM 3277 O HOH A 316 16.741 37.482 65.137 1.00 38.73 O +HETATM 3278 O HOH A 317 19.853 21.931 44.903 1.00 39.51 O +HETATM 3279 O HOH A 318 26.868 18.413 58.715 1.00 34.88 O +HETATM 3280 O HOH A 319 12.505 36.455 43.611 1.00 46.75 O +HETATM 3281 O HOH A 320 22.153 29.278 34.825 1.00 43.66 O +HETATM 3282 O HOH A 321 35.251 46.261 67.652 1.00 39.02 O +HETATM 3283 O HOH A 322 36.837 38.084 43.567 1.00 43.81 O +HETATM 3284 O HOH A 323 34.046 21.497 45.048 1.00 35.29 O +HETATM 3285 O HOH A 324 40.057 34.314 65.024 1.00 57.18 O +HETATM 3286 O HOH A 325 17.101 43.986 43.812 1.00 39.39 O +HETATM 3287 O HOH A 326 33.322 39.654 40.809 1.00 41.38 O +HETATM 3288 O HOH B 237 34.529 46.233 23.434 1.00 20.41 O +HETATM 3289 O HOH B 238 41.411 45.348 25.449 1.00 22.58 O +HETATM 3290 O HOH B 239 35.315 52.345 21.269 1.00 26.07 O +HETATM 3291 O HOH B 240 41.348 33.493 2.026 1.00 25.61 O +HETATM 3292 O HOH B 241 37.316 35.697 23.652 1.00 24.41 O +HETATM 3293 O HOH B 242 38.171 49.147 26.014 1.00 24.88 O +HETATM 3294 O HOH B 243 35.863 37.011 21.550 1.00 27.27 O +HETATM 3295 O HOH B 244 32.909 40.536 27.660 1.00 28.48 O +HETATM 3296 O HOH B 245 40.609 31.191 40.399 1.00 25.35 O +HETATM 3297 O HOH B 246 33.617 36.082 -0.478 1.00 23.02 O +HETATM 3298 O HOH B 247 26.181 40.453 -0.197 1.00 30.26 O +HETATM 3299 O HOH B 248 45.351 25.806 22.372 1.00 27.59 O +HETATM 3300 O HOH B 249 23.389 44.186 3.300 1.00 30.06 O +HETATM 3301 O HOH B 250 50.837 51.671 16.905 1.00 28.30 O +HETATM 3302 O HOH B 251 32.459 39.023 15.132 1.00 25.06 O +HETATM 3303 O HOH B 252 39.285 39.643 36.077 1.00 27.57 O +HETATM 3304 O HOH B 253 38.111 37.385 35.203 1.00 26.07 O +HETATM 3305 O HOH B 254 33.764 37.152 39.702 1.00 31.51 O +HETATM 3306 O HOH B 255 31.139 39.769 17.796 1.00 29.06 O +HETATM 3307 O HOH B 256 47.116 25.752 4.671 1.00 33.47 O +HETATM 3308 O HOH B 257 52.255 50.792 14.673 1.00 31.96 O +HETATM 3309 O HOH B 258 23.183 53.436 12.561 1.00 28.62 O +HETATM 3310 O HOH B 259 40.330 48.492 24.517 1.00 26.78 O +HETATM 3311 O HOH B 260 45.219 36.068 2.360 1.00 30.00 O +HETATM 3312 O HOH B 261 29.314 43.712 -1.143 1.00 33.03 O +HETATM 3313 O HOH B 262 41.295 46.163 -0.937 1.00 33.35 O +HETATM 3314 O HOH B 263 32.218 54.965 19.225 1.00 32.28 O +HETATM 3315 O HOH B 264 50.721 35.700 32.499 1.00 30.93 O +HETATM 3316 O HOH B 265 45.022 58.013 23.473 1.00 39.30 O +HETATM 3317 O HOH B 266 25.074 38.672 8.442 1.00 31.90 O +HETATM 3318 O HOH B 267 51.699 37.949 5.112 1.00 31.51 O +HETATM 3319 O HOH B 268 34.842 50.648 -0.492 1.00 34.84 O +HETATM 3320 O HOH B 269 41.243 28.704 2.399 1.00 31.49 O +HETATM 3321 O HOH B 270 39.820 52.762 19.102 1.00 31.69 O +HETATM 3322 O HOH B 271 34.141 53.467 18.686 1.00 29.74 O +HETATM 3323 O HOH B 272 45.052 50.895 27.449 1.00 36.57 O +HETATM 3324 O HOH B 273 26.680 39.432 19.884 1.00 35.87 O +HETATM 3325 O HOH B 274 60.604 37.988 16.373 1.00 37.78 O +HETATM 3326 O HOH B 275 35.874 35.882 42.313 1.00 33.58 O +HETATM 3327 O HOH B 276 28.490 22.043 33.744 1.00 36.95 O +HETATM 3328 O HOH B 277 40.378 30.926 1.449 1.00 28.17 O +HETATM 3329 O HOH B 278 41.049 24.095 33.582 1.00 38.12 O +HETATM 3330 O HOH B 279 22.340 44.053 0.823 1.00 47.46 O +HETATM 3331 O HOH B 280 35.403 29.028 13.022 1.00 32.88 O +HETATM 3332 O HOH B 281 26.763 43.416 -0.099 1.00 30.61 O +HETATM 3333 O HOH B 282 38.312 55.113 19.141 1.00 33.66 O +HETATM 3334 O HOH B 283 37.167 41.713 29.705 1.00 41.16 O +HETATM 3335 O HOH B 284 43.358 34.759 0.498 1.00 36.72 O +HETATM 3336 O HOH B 285 43.897 24.433 37.614 1.00 35.27 O +HETATM 3337 O HOH B 286 35.761 55.405 17.705 1.00 39.18 O +HETATM 3338 O HOH B 287 32.607 21.347 33.127 1.00 34.57 O +HETATM 3339 O HOH B 288 43.733 24.814 18.872 1.00 41.29 O +HETATM 3340 O HOH B 289 38.515 32.504 12.726 1.00 39.00 O +HETATM 3341 O HOH B 290 51.526 46.178 8.436 1.00 38.78 O +HETATM 3342 O HOH B 291 44.699 30.667 41.530 1.00 34.81 O +HETATM 3343 O HOH B 292 19.857 49.290 16.276 1.00 37.83 O +HETATM 3344 O HOH B 293 45.718 22.996 4.407 1.00 45.58 O +HETATM 3345 O HOH B 294 52.112 53.734 13.645 1.00 39.80 O +HETATM 3346 O HOH B 295 40.845 25.462 45.793 1.00 33.79 O +HETATM 3347 O HOH B 296 43.185 41.259 -1.617 1.00 31.46 O +HETATM 3348 O HOH B 297 47.114 36.565 34.325 1.00 32.36 O +HETATM 3349 O HOH B 298 32.134 55.825 16.782 1.00 38.65 O +HETATM 3350 O HOH B 299 42.765 27.217 0.438 1.00 43.06 O +HETATM 3351 O HOH B 300 21.942 54.317 23.709 1.00 41.29 O +HETATM 3352 O HOH B 301 36.405 28.625 3.732 1.00 40.75 O +HETATM 3353 O HOH B 302 30.118 38.401 26.309 1.00 44.13 O +HETATM 3354 O HOH B 303 37.556 40.935 37.884 1.00 46.77 O +HETATM 3355 O HOH B 304 32.997 25.391 8.167 1.00 43.70 O +HETATM 3356 O HOH B 305 37.902 40.417 32.020 1.00 38.28 O +HETATM 3357 O HOH B 306 39.219 38.124 16.466 1.00 36.03 O +HETATM 3358 O HOH B 307 44.208 46.768 2.568 1.00 35.33 O +HETATM 3359 O HOH B 308 20.533 32.439 9.428 1.00 44.73 O +HETATM 3360 O HOH B 309 33.708 35.565 22.872 1.00 36.93 O +HETATM 3361 O HOH B 310 31.326 51.455 1.300 1.00 39.43 O +HETATM 3362 O HOH B 311 37.682 30.639 14.261 1.00 37.07 O +HETATM 3363 O HOH B 312 42.090 33.450 44.231 1.00 50.63 O +HETATM 3364 O HOH B 313 42.690 30.709 -0.269 1.00 39.01 O +HETATM 3365 O HOH B 314 35.394 24.914 15.030 1.00 48.40 O +HETATM 3366 O HOH B 315 39.042 48.676 31.938 1.00 41.14 O +HETATM 3367 O HOH B 316 41.637 46.808 32.703 1.00 39.00 O +HETATM 3368 O HOH B 317 49.060 35.618 36.712 1.00 41.70 O +HETATM 3369 O HOH B 318 35.614 31.511 3.062 1.00 44.75 O +HETATM 3370 O HOH B 319 34.914 44.034 32.204 1.00 48.83 O +HETATM 3371 O HOH B 320 47.621 34.822 2.186 1.00 38.03 O +HETATM 3372 O HOH B 321 34.566 33.770 -1.071 1.00 40.64 O +HETATM 3373 O HOH B 322 52.562 52.979 18.766 1.00 35.96 O +HETATM 3374 O HOH B 323 22.575 33.938 17.631 1.00 42.37 O +HETATM 3375 O HOH B 324 44.132 44.679 31.910 1.00 40.02 O +HETATM 3376 O HOH B 325 31.078 35.229 11.140 1.00 52.56 O +HETATM 3377 O HOH B 326 21.889 42.558 16.440 1.00 41.89 O +HETATM 3378 O HOH B 327 41.141 31.228 43.206 1.00 35.57 O +HETATM 3379 O HOH B 328 49.331 31.494 1.630 1.00 47.68 O +HETATM 3380 O HOH B 329 45.814 36.170 36.640 1.00 38.34 O +HETATM 3381 O HOH B 330 45.544 33.228 -0.455 1.00 43.72 O +HETATM 3382 O HOH B 331 38.372 57.960 7.537 1.00 43.22 O +HETATM 3383 O HOH B 332 23.153 32.563 4.779 1.00 43.98 O +HETATM 3384 O HOH B 333 32.333 32.839 0.713 1.00 59.90 O +HETATM 3385 O HOH B 334 35.068 34.320 45.549 1.00 56.79 O +HETATM 3386 O HOH B 335 34.614 26.071 18.842 1.00 49.05 O +HETATM 3387 O HOH B 336 28.636 54.984 10.986 1.00 43.01 O +HETATM 3388 O HOH B 337 33.306 57.966 9.362 1.00 51.74 O +HETATM 3389 O HOH B 338 48.081 35.769 39.183 1.00 51.14 O +HETATM 3390 O HOH B 339 38.602 27.058 3.080 1.00 43.78 O +HETATM 3391 O HOH B 340 52.941 46.039 22.263 1.00 45.31 O +HETATM 3392 O HOH B 341 48.933 53.300 23.037 1.00 42.68 O +HETATM 3393 O HOH B 342 28.207 37.727 13.908 1.00 47.80 O +HETATM 3394 O HOH B 343 35.118 39.882 36.672 1.00 39.24 O +CONECT 1212 1368 +CONECT 1368 1212 +CONECT 2798 2953 +CONECT 2953 2798 +MASTER 322 0 0 18 30 0 0 6 3373 2 4 38 +END diff --git a/inputs/inputs/in_list b/inputs/inputs/in_list new file mode 100644 index 00000000000..67aacdff84e --- /dev/null +++ b/inputs/inputs/in_list @@ -0,0 +1,2 @@ +../inputs/inputs/1VGT.pdb +../inputs/inputs/1VGX.pdb diff --git a/inputs/test_output.out b/inputs/test_output.out new file mode 100644 index 00000000000..ce797282dd4 --- /dev/null +++ b/inputs/test_output.out @@ -0,0 +1,3 @@ +Structure RMSE Ref15_Score ERMS Rescore +../inputs/inputs/1VGT.pdb 0.389898 -120.098 744.304 +../inputs/inputs/1VGX.pdb 0.388346 -120.098 733.522 diff --git a/source/build_sid_erms_app_debug.sh b/source/build_sid_erms_app_debug.sh index 51e96f77afa..f14a694a86e 100755 --- a/source/build_sid_erms_app_debug.sh +++ b/source/build_sid_erms_app_debug.sh @@ -1 +1 @@ -g++ -o build/src/debug/linux/4.18/64/x86/gcc/8/default/apps/pilot/robert_bolz/sid_erms.o -c -std=c++0x -ffor-scope -isystem external/boost_submod/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -isystem external/libxml2/include -isystem external/rdkit -pipe -Wall -Wextra -pedantic -Werror -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O0 -g -ggdb -ffloat-store -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_MATH_FUNCTIONS -DBOOST_DISABLE_THREADS -DPTR_STD -D_GLIBCXX_DEBUG -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/8 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux src/apps/pilot/robert_bolz/sid_erms.cc && g++ -o build/src/debug/linux/4.18/64/x86/gcc/8/default/sid_erms.default.linuxgccdebug -Wl,--disable-new-dtags -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/src/debug/linux/4.18/64/x86/gcc/8/default -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/external/debug/linux/4.18/64/x86/gcc/8/default -Wl,-rpath=\$ORIGIN -Wl,-rpath=\$ORIGIN/../lib build/src/debug/linux/4.18/64/x86/gcc/8/default/apps/pilot/robert_bolz/sid_erms.o -Lexternal/lib -Lbuild/src/debug/linux/4.18/64/x86/gcc/8/default -Lsrc -Lbuild/external/debug/linux/4.18/64/x86/gcc/8/default -Lexternal -L/usr/lib -L/usr/local/lib -ldevel -lprotocols.8 -lprotocols.7 -lprotocols_e.6 -lprotocols_d.6 -lprotocols_c.6 -lprotocols_b.6 -lprotocols_a.6 -lprotocols_h.5 -lprotocols_g.5 -lprotocols_f.5 -lprotocols_e.5 -lprotocols_d.5 -lprotocols_c.5 -lprotocols_b.5 -lprotocols_a.5 -lprotocols.4 -lprotocols.3 -lprotocols_b.2 -lprotocols_a.2 -lprotocols.1 -lcore.6 -lcore.5 -lcore.4 -lcore.3 -lcore.2 -lcore.1 -lbasic -lnumeric -lutility -lObjexxFCL -lz -lcppdb -lsqlite3 -lz -lzlib -lcppdb -lsqlite3 -lcifparse -lxml2 -lzmq -lrdkit -lbcl -lcmaes +g++ -o build/src/debug/linux/4.18/64/x86/gcc/13.3/default/apps/pilot/robert_bolz/SID_ERMS_Rescore.o -c -std=c++0x -ffor-scope -isystem external/boost_submod/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -isystem external/libxml2/include -isystem external/rdkit -pipe -Wall -Wextra -pedantic -Werror -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O0 -g -ggdb -ffloat-store -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_MATH_FUNCTIONS -DBOOST_DISABLE_THREADS -DPTR_STD -D_GLIBCXX_DEBUG -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/13.3 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc && g++ -o build/src/debug/linux/4.18/64/x86/gcc/13.3/default/SID_ERMS_Rescore.default.linuxgccdebug -Wl,--disable-new-dtags -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/src/debug/linux/4.18/64/x86/gcc/13.3/default -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/external/debug/linux/4.18/64/x86/gcc/13.3/default -Wl,-rpath=\$ORIGIN -Wl,-rpath=\$ORIGIN/../lib build/src/debug/linux/4.18/64/x86/gcc/13.3/default/apps/pilot/robert_bolz/SID_ERMS_Rescore.o -Lexternal/lib -Lbuild/src/debug/linux/4.18/64/x86/gcc/13.3/default -Lsrc -Lbuild/external/debug/linux/4.18/64/x86/gcc/13.3/default -Lexternal -L/usr/lib -L/usr/local/lib -ldevel -lprotocols.8 -lprotocols.7 -lprotocols_e.6 -lprotocols_d.6 -lprotocols_c.6 -lprotocols_b.6 -lprotocols_a.6 -lprotocols_h.5 -lprotocols_g.5 -lprotocols_f.5 -lprotocols_e.5 -lprotocols_d.5 -lprotocols_c.5 -lprotocols_b.5 -lprotocols_a.5 -lprotocols.4 -lprotocols.3 -lprotocols_b.2 -lprotocols_a.2 -lprotocols.1 -lcore.6 -lcore.5 -lcore.4 -lcore.3 -lcore.2 -lcore.1 -lbasic -lnumeric -lutility -lObjexxFCL -lz -lcppdb -lsqlite3 -lz -lzlib -lcppdb -lsqlite3 -lcifparse -lxml2 -lzmq -lrdkit -lbcl -lcmaes diff --git a/source/src/apps.src.settings b/source/src/apps.src.settings index fbd0326dfad..8d1aff9ca69 100644 --- a/source/src/apps.src.settings +++ b/source/src/apps.src.settings @@ -87,6 +87,7 @@ sources = { "score_jd2", "sc", "SID_ERMS_prediction", + "SID_ERMS_Rescore", "shobuns", ], "public/antibody": [ diff --git a/source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc b/source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc new file mode 100644 index 00000000000..e4ceb998069 --- /dev/null +++ b/source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc @@ -0,0 +1,673 @@ +// -*- mode:c++;tab-width:2;incdent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*- +// vi: set ts=2 noet: +// +// (c) Copyright Rosetta Commons Member Institutions. +// (c) This file is part of the Rosetta software suite and is made available under license. +// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +// (c) For more information, see http://www.rosettacommons.org. Questions about this can be +// (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +/// @file apps/public/analysis/SID_ERMS_rescore +/// @brief Application to rescore a structure based on ERMS data +/// @author Robert Bolz (bolz.13@osu.edu) + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include + +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include + +static basic::Tracer TR( "src.apps.pilot.robert_bolz.SID_ERMS_rescore" ); + +using namespace basic::options; +using namespace basic::options::OptionKeys; + +using namespace basic::options; +using namespace basic::options::OptionKeys; + +//Justin options +basic::options::FileOptionKey const complex_type( "complex_type" ); +basic::options::FileOptionKey const ERMS( "ERMS" ); +basic::options::BooleanOptionKey const RMSE( "RMSE"); +basic::options::FileOptionKey const B_vals( "B_vals" ); +basic::options::RealOptionKey const steepness( "steepness" ); +basic::options::RealOptionKey const breakage_cutoff( "breakage_cutoff" ); + + +//This section of code is copied and adapted from SID_ERMS_prediction (src/apps/public/analysis/SID_ERMS_prediction.cc) for the purpose of simulating the ERMS data for rescoring. + +//calculate probability +core::Real calc_prob(core::Real x,core::Real a, core::Real b) { + return -1.0 / (1.0 + exp(a*(x-b)) ) + 1; +} + +//read in the complex type: subunits and connectivities (nodes and edges) +void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges) { + std::string complex_type_filename; + complex_type_filename = option[ complex_type ](); + utility::io::izstream input(complex_type_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + complex_type_filename ); + utility_exit_with_message( msg ); + } + + //read file + std::string line; + core::Size count = 0; + while ( getline(input,line) ) { + std::istringstream ss(line); + utility::vector1< std::string > inputs = utility::split_whitespace(ss.str()); + //read first line, which contains chain IDs + if ( count==0 ) { + n_chains = inputs.size(); + TR << "Complex type file has " << n_chains << " chains." << std::endl; + for ( core::Size i=1; i<=n_chains; i++ ) { + if ( inputs[i].size() != 1 ) { + std::string const msg( "Chain input incorrectly: " + inputs[i]); + utility_exit_with_message( msg ); + } + char node_curr; + node_curr = inputs[i][0]; + nodes.push_back(node_curr); + TR << "Chain " << i << ": " << node_curr << std::endl; + } + } else { //read in subsequent lines, which contain the interfaces + core::Size n_edges = inputs.size(); //(ss.str().length()+1)/4; + if ( n_edges == 0 ) { + std::string const msg( "Interface input incorrectly"); + utility_exit_with_message( msg ); + } + utility::vector1 edges_curr; + for ( core::Size i=1; i<=n_edges; i++ ) { + std::string edge = inputs[i]; + //check edge format + if ( edge.size()!=3 || edge[1]!='_' ) { + std::string const msg( "Interface input incorrectly: " + edge); + utility_exit_with_message( msg ); + } + + edges_curr.push_back(edge); + } + TR << "Interface type " << count << " has " << n_edges << " symmetric interfaces. Interface " << edges_curr[1] << " is used." << std::endl; + edges.push_back(edges_curr); + } + count++; + } + //check to make sure all chains are involved in at least one interface + for ( core::Size i=1; i<=nodes.size(); i++ ) { + char node_curr = nodes[i]; + bool node_found(false); + for ( core::Size j=1; j<=edges.size(); j++ ) { + for ( core::Size k=1; k<=edges[j].size(); k++ ) { + if ( node_curr==edges[j][k][0] || node_curr==edges[j][k][2] ) { + node_found = true; + } + } + } + if ( !node_found ) { + std::string msg( "Complex type file incorrect. Chain "); + msg.push_back(node_curr); + msg+=" not in an interface. All chains must participate in at least one interface"; + utility_exit_with_message( msg ); + } + } +} + + +//make sure intensities sum to 1 +void check_intensities( const utility::vector1> &ERMS_data ) { + for ( core::Size i=1; i<=ERMS_data.size(); i++ ) { + core::Real sum = 0; + for ( core::Size j=1; j<=ERMS_data[i].size(); j++ ) { + sum += ERMS_data[i][j]; + } + if ( sum < 0.95 || sum > 1.05 ) { + std::string const msg( "Error in ERMS input. Intensities at each acceleration energy must add to 1."); + utility_exit_with_message( msg ); + } + } +} + +//read in acceleration energies or full ERMS +void read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { + + bool input_ERMS = false; + if ( option[ RMSE ].user() ) { + input_ERMS = true; + } else { + TR.Warning << "Acceleration energies read in, but not ERMS values." << std::endl; + } + std::string ERMS_filename; + ERMS_filename = option[ ERMS ](); + utility::io::izstream input(ERMS_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + ERMS_filename ); + utility_exit_with_message( msg ); + } + + //read file + std::string line; + while ( getline(input,line) ) { + std::istringstream ss(line); + core::Real ACE_current; + + ss >> ACE_current; + + if ( ACE_current < 0 ) { + std::string const msg( "Error in acceleration energy input. All acceleration energies must be positive." ); + utility_exit_with_message( msg ); + } + + utility::vector1 ERMS_current; + //read in ERMS data + if ( input_ERMS ) { + for ( core::Size i=1; i<=n_chains; i++ ) { + core::Real ERMS_val_current; + ss >> ERMS_val_current; + + if ( ERMS_val_current < 0 or ERMS_val_current > 1 ) { + std::string const msg( "Error in experimental intensity input. All intensities should be between 0 and 1." ); + utility_exit_with_message( msg ); + } + + ERMS_current.push_back(ERMS_val_current); + } + ERMS_read.push_back(ERMS_current); + } + + runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); + ACE.push_back(ACE_current); + } + check_intensities(ERMS_read); +} + +//read in B values if given via file input +void read_B_vals(utility::vector1 &B) { + std::string B_filename; + B_filename = option[ B_vals ](); + utility::io::izstream input(B_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + B_filename ); + utility_exit_with_message( msg ); + } + + std::stringstream err_msg; + err_msg << "Incorrect number of B values given, must match the number of interface types." << std::endl; + + //read file + std::string line; + core::Size count = 1; + while ( getline(input,line) ) { + std::istringstream ss(line); + + if ( count <= B.size() ) { + ss >> B[count]; + count ++; + } else { + utility_exit_with_message(err_msg.str()); //too many B values input + } + runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); + } + if ( count-1 != B.size() ) { + utility_exit_with_message(err_msg.str()); //too few B values input + } +} + +//check to make sure interfaces are symmetric +void check_interface_symmetry(const core::pose::Pose pose_check, const utility::vector1 &edges_check, core::Real &dSASA, core::Real &PRE) { + core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); + + core::pose::PoseOP pose_checkOP = pose_check.clone(); + + //calculate values for first interface + std::string interface_1(edges_check[1]); + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_1, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + IAM->apply(*pose_checkOP); + protocols::analysis::InterfaceData int_data = IAM->get_all_data(); + utility::vector1< core::Real > dSASA_vec = int_data.dSASA; + core::Real dSASA_1 = dSASA_vec[1];//get_all_per_residue_data + dSASA = dSASA_1; //set actual value + + protocols::analysis::PerResidueInterfaceData int_data_per = IAM->get_all_per_residue_data(); + utility::vector1< core::Real > PRE_vec = int_data_per.regional_avg_per_residue_energy_int; + PRE = PRE_vec[1]; //set actual value + + //calculate size for remaining interfaces and compare to first. Should be within 10%. + for ( core::Size j=2; j<=edges_check.size(); j++ ) { + std::string interface_curr(edges_check[j]); + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_curr, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + IAM->apply(*pose_checkOP); + protocols::analysis::InterfaceData int_data = IAM->get_all_data(); + utility::vector1< core::Real > dSASA_vec = int_data.dSASA; + core::Real dSASA_curr = dSASA_vec[1]; + + //warn if size difference is greater than 10% compared to first interface. + core::Real percent_diff = std::abs(dSASA_1-dSASA_curr)/(dSASA_1)*100.0; + if ( percent_diff > 10 ) { + TR.Warning << "Interfaces " << interface_1 << " and " << interface_curr << " input as symmetric, but size varies by " << percent_diff << " %. Based on the PDB file, there is a high likelihood that the complex type file is incorrect. It is recommended that you adjust the complex type file to remove the symmetry." << std::endl; + } + } +} + +//calculate B values from PDB (and check for disulfide bond if dimer to shift steepness) +void calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ) { + core::Real w_SA(0.488748); + core::Real w_PRE(-457.753); + core::Real w_int(-1488.57); + if ( option[ breakage_cutoff ].user() ) { + w_SA = 0.464145; + w_PRE = -589.803; + w_int = -1834.75; + } + + //read in a vector of chains present in the input PDB. To be used to check against input interfaces + utility::vector1< char > chains; + for ( core::Size i=1; i<=pose_.num_chains(); i++ ) { + chains.push_back(core::pose::get_chain_from_chain_id(i, pose_)); + } + + //loop through the interfaces + for ( core::Size i=1; i<=edges.size(); i++ ) { + + //check to make sure both chains in the interface are in the input PDB + std::stringstream err_msg; + if ( std::find(chains.begin(), chains.end(), edges[i][1][0]) == chains.end() ) { //check first chain + err_msg << "Chain " << edges[i][1][0] << " not in PDB." << std::endl; + utility_exit_with_message(err_msg.str()); + } + if ( std::find(chains.begin(), chains.end(), edges[i][1][2]) == chains.end() ) { //check second chain + err_msg << "Chain " << edges[i][1][2] << " not in PDB." << std::endl; + utility_exit_with_message(err_msg.str()); + } + + std::string interface(edges[i][1]); + + //Initialize IA mover + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + + core::Real dSASA; + core::Real PRE; + //check interface symmetry and (if valid), calculate dSASA and PRE for first interface + check_interface_symmetry(pose_, edges[i], dSASA, PRE); + + B[i] = w_SA*dSASA + w_PRE*PRE + w_int; + TR << "Interface " << edges[i][1] << ": B = " << B[i] << std::endl; + } + + //if dimer, check for disulfide bonds to use different A + if ( n_chains==2 ) { + bool is_DS = false; + //loop through the two chains + for ( core::Size i=1; i<=2; i++ ) { + core::pose::PoseOP current_chain(pose_.split_by_chain(i)); + core::Real num_res = current_chain->size(); + core::Size DS = 0; //intrasubunit disulfide bond calculation + for ( core::Size j=1; j<=num_res; j++ ) { + for ( core::Size k=1; k<=num_res; k++ ) { + if ( current_chain->residue(j).is_bonded(k) && ! current_chain->residue(j).is_polymer_bonded(k) ) { + DS++; + } + } + } + if ( DS>0 ) { + is_DS = true; + } + } + //if there is a disulfide bond, use different steepness + if ( is_DS && !option[ steepness ].user() ) { + A = 0.015; + TR << "Disulfide bond detected for dimer. A = " << A << std::endl; + } + } +} + +//function to simulate ERMS +void simulate_ERMS( utility::vector1> &ERMS_prediction, const utility::vector1 &ACE, const utility::vector1 &B, const core::Size n_chains, const utility::vector1> &edges, const core::Real A, const core::Real breakage_cut, const utility::vector1 &nodes) { + typedef boost::adjacency_list < boost::vecS, boost::vecS, boost::undirectedS > Graph; + core::Size n_sims = 1000; + + TR << "Steepness = " << A << std::endl; + + //loop through the acceleration energies + for ( core::Size i=1; i<=ACE.size(); i++ ) { + core::Real X = ACE[i]; + utility::vector1 PB; //probability of interface breakage + //loop through each B value to calculate the breakage probabilities + for ( core::Size j=1; j<=B.size(); j++ ) { + PB.push_back(calc_prob(X, A, B[j])); + } + + utility::vector1> n_complexes_all; + //loop through each simulation run + for ( core::Size j=1; j<=n_sims; j++ ) { + Graph G(n_chains); + //loop through each interface type + for ( core::Size k=1; k<=B.size(); k++ ) { + //loop through each interface of that type + for ( core::Size l=1; l<=edges[k].size(); l++ ) { + core::Real random_num = numeric::random::uniform(); + if ( random_num > PB[k] ) { + int node_0(nodes.index(edges[k][l][0])-1); + if ( node_0==-1 ) { + std::stringstream err_msg; + err_msg << "Chain " << edges[k][l][0] << " does not match input chains." << std::endl; + utility_exit_with_message(err_msg.str()); + } + int node_1(nodes.index(edges[k][l][2])-1); + if ( node_1==-1 ) { + std::stringstream err_msg; + err_msg << "Chain " << edges[k][l][2] << " does not match input chains." << std::endl; + utility_exit_with_message(err_msg.str()); + } + add_edge(node_0, node_1, G); + } + } + } + utility::vector1 c(num_vertices(G)); + core::Size num = connected_components(G, make_iterator_property_map(c.begin(), get(boost::vertex_index, G), c[1])); + utility::vector1::iterator k; + utility::vector1 n_components(num, 0); + for ( k = c.begin(); k != c.end(); ++k ) { + n_components[*k+1]++; + } + utility::vector1 n_complexes; + for ( core::Size k=1; k<=n_chains; k++ ) { + n_complexes.push_back(count(n_components.begin(), n_components.end(), k)); + } + n_complexes_all.push_back(n_complexes); + } + //calculate the average complexes + utility::vector1 avg_complexes(n_chains, 0.0); + for ( core::Size j=1; j<=n_sims; j++ ) { + for ( core::Size k=1; k<=n_chains; k++ ) { + avg_complexes[k] += n_complexes_all[j][k]; + } + } + for ( core::Size j=1; j<=n_chains; j++ ) { + avg_complexes[j] = avg_complexes[j]/n_sims; + } + //normalize average complexes + if ( X==0 or X <= breakage_cut ) { //breakage not yet allowed, all precursor + for ( core::Size j=1; j<=n_chains; j++ ) { + if ( j==n_chains ) { + ERMS_prediction[j].push_back(1.0); + } else { + ERMS_prediction[j].push_back(0.0); + } + } + } else { + for ( core::Size j=1; j<=n_chains; j++ ) { + ERMS_prediction[j].push_back(avg_complexes[j]*(j)/n_chains); + } + } + } +} + +core::Real calc_RMSE(const utility::vector1> & ERMS_prediction, const utility::vector1> &ERMS, const core::Size n_chains, const core::Size n_ACE) { + core::Real RMSE_val(0.0); + core::Size count(0); + for ( core::Size i=1; i<=n_ACE; i++ ) { + for ( core::Size j=1; j<=n_chains; j++ ) { + RMSE_val += pow(ERMS_prediction[n_chains-(j-1)][i]-ERMS[i][j],2); + count +=1; + } + } + + RMSE_val = pow(RMSE_val/count, 0.5); + return RMSE_val; +} + +//end copied and adapted section + +//calculate the rescored model +core::Real Rescore_models( const core::Real nscore_, const core::Real RMSE_, const core::Real max_, const core::Real min_ ){ + //score structure + core::Real rescore, midpnt, e_exp; + midpnt = (max_ + min_ )/2; + e_exp = (50 * RMSE_) - (0.9 * 50 * midpnt); + rescore = 1000 * ( 1 - ( 1 /(0.1 + ( exp( e_exp ) ) ) ) ); + if (rescore < 0) { + rescore = 0; + } + + rescore += nscore_; + return rescore; +} + +int +main( int argc, char * argv [] ) +{ + + try{ + using namespace basic::options; + using namespace basic::options::OptionKeys; + using namespace core::scoring; + using namespace utility; + using namespace core; + using namespace core::pose; + + //inputting all options + + //hold over local options for ERMS prediction + option.add( complex_type, "TSV file containing the information on complex type (nodes and edges)" ).def("comp.tsv"); + option.add( ERMS, "TSV file containing the ERMS data or acceleration energies" ).def("ERMS.tsv"); + option.add( RMSE, "Calculate RMSE?" ).def(false); + option.add( B_vals, "TSV file containing the B values (eV) for the interfaces" ).def("B.tsv"); + option.add( steepness, "Steepness value (A) as input by the user" ); + option.add( breakage_cutoff, "Breakage cutoff for simulation (eV)" ).def(0.0); + + devel::init( argc, argv ); + + //checking and reading all inputs + + core::Real A_(0.0025); + + //breakage cutoff + core::Real breakage_cutoff_(0.0); + if ( option[ breakage_cutoff ].user() ) { + breakage_cutoff_ = option[ breakage_cutoff ](); + if ( breakage_cutoff_ < 0 ) { + std::stringstream err_msg; + err_msg << "Breakage cutoff must be greater than zero. Value of " << breakage_cutoff_ << " eV given." << std::endl; + utility_exit_with_message(err_msg.str()); + } + A_ = 0.002; //default steepness when using breakage cutoff + } + + //steepness parameter + if ( option[ steepness ].user() ) { + A_ = option[ steepness ](); + TR.Warning << "Custom steepness of " << A_ << " input. Not recommended." << std::endl; + } + + //complex type (nodes and edges) + core::Size n_chains_; + utility::vector1 nodes_; + utility::vector1> edges_; + if ( option[ complex_type ].user() ) { + read_complex_type(n_chains_, nodes_, edges_); + } else { + std::stringstream err_msg; + err_msg << "Must input the complex type using the complex_type option." << std::endl; + utility_exit_with_message(err_msg.str()); + } + TR << "Complex type read in" << std::endl; + + //create score function object + core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); + + std::ostringstream out; + + out << "Structure" << "\t" << "RMSE" << "\t" << "Ref15_Score" << "\t" << "ERMS Rescore" << std::endl; + + utility::vector1 rmse_list; + utility::vector1 score_list; + + //pose specific input checks + + utility::vector1 files; + utility::vector1 list; + if ( option[in::file::l].user() ) { + TR << "using -l option " << std::endl; + list = basic::options::option[ in::file::l ](); + for ( auto const & listfile : list ) { + utility::io::izstream pdbs( listfile ); + std::string fname; + while ( pdbs >> fname ) { + files.push_back(fname); + } + } + for ( auto const & file : files ) { + TR << "creating pose for " << file << std::endl; + pose::Pose pose_in; + core::import_pose::pose_from_file(pose_in, file, core::import_pose::PDB_file); + TR << "created pose for " << file << std::endl; + //std::string output = pose_in->pdb_info()->name(); + + //set up vector of B values. Length is number of different interface types + TR << "edges size is: " << edges_.size() << std::endl; + utility::vector1 B_(edges_.size(), 0.0); + if ( option[ B_vals ].user() ) { + //read in B values if given by file input + read_B_vals(B_); + TR << "B values read in from file" << std::endl; + if ( option[ basic::options::OptionKeys::in::file::l ].user() ) { + TR.Warning << "PDB file input not used. B values read from file instead. To calculate B from structure, remove the flag (B_vals)." << std::endl; + } + } else { + if ( !option[ basic::options::OptionKeys::in::file::l ].user() ) { + std::stringstream err_msg; + err_msg << "Must input either file containing B values (using flag B_vals) or PDB file to calculate B values for simulation." << std::endl; + utility_exit_with_message(err_msg.str()); + } + + calc_B_values(B_, edges_, A_, n_chains_, pose_in); //read in PDB and calculate B values for each the first in each interface type + TR << "B values read in from structure" << std::endl; + + + //read in ERMS data: acceleration energies and ERMS data (if applicable) + utility::vector1 ACE_; //Acceleration energies, read from file or input automatically + utility::vector1> ERMS_; + if ( option[ ERMS ].user() ) { + read_ERMS(ACE_, ERMS_, n_chains_); + TR << "Acceleration energies and ERMS read in from file" << std::endl; + } else { + //if no acceleration energies are input, the range is set from 0 to 2x max B, with 10 steps in between + core::Real step_size = (*max_element(B_.begin(), B_.end()))*2/10; + ACE_.push_back(0.0); + for ( core::Size i=1; i<=10; i++ ) { + ACE_.push_back(i*step_size); + } + TR << "Acceleration energies set up based on max B" << std::endl; + } + + + //simulate ERMS + utility::vector1> ERMS_prediction_(n_chains_); + simulate_ERMS(ERMS_prediction_, ACE_, B_, n_chains_, edges_, A_, breakage_cutoff_, nodes_); + TR << "ERMS simulation complete" << std::endl; + + //calculte RMSE (if applicable) + if ( option[ RMSE ].user() && option[ ERMS ].user() ) { + calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); + } + if ( option[ RMSE ].user() && !option[ ERMS ].user() ) { + TR.Warning << "RMSE cannot be calculated without ERMS data input." << std::endl; + } + + //get score of structure + core::Real score_ = sfxn->score( pose_in ); + + //output results to file + core::Real RMSE_value_(0.0); + RMSE_value_ = calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); + rmse_list.push_back(RMSE_value_); + score_list.push_back(score_); + } + } + //Determine maximum and minimum RMSE + core::Real max_rmse(0.0); + core::Real min_rmse(1.0); + + for ( core::Size i = 1; i <= rmse_list.size(); i++ ) { + if ( max_rmse < rmse_list[i] ) { + max_rmse = rmse_list[i]; + } + } + for ( core::Size i = 1; i <= rmse_list.size(); i++ ) { + if ( min_rmse > rmse_list[i] ) { + min_rmse = rmse_list[i]; + } + } + + //Calculate rescore for each structure + for ( core::Size i=1; i <= rmse_list.size(); i++ ) { + core::Real Rescored_value_(0.0); + Rescored_value_ = Rescore_models(score_list[i], rmse_list[i], max_rmse, min_rmse); + out << files[i] << "\t" << rmse_list[i] << "\t" << score_list[i] << "\t" << Rescored_value_ << std::endl; + } + + //output rescores as a file + using namespace basic::options; + using namespace basic::options::OptionKeys; + std::string outfile("output_rescore.tsv"); + if ( option[ out::file::o ].user() ) outfile = option[ out::file::o ](); + utility::io::ozstream outz( outfile.c_str() ); + outz << out.str(); + outz.close(); + outz.clear(); + TR << "Output results complete." << std::endl; + } + + } catch (utility::excn::Exception const & e ) { + e.display(); + return -1; + } + + return 0; +} diff --git a/source/src/apps/pilot/robert_bolz/sid_erms.cc b/source/src/apps/pilot/robert_bolz/sid_erms.cc deleted file mode 100644 index 6236ba75726..00000000000 --- a/source/src/apps/pilot/robert_bolz/sid_erms.cc +++ /dev/null @@ -1,60 +0,0 @@ -// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*- -// vi: set ts=2 noet: -// -// (c) Copyright Rosetta Commons Member Institutions. -// (c) This file is part of the Rosetta software suite and is made available under license. -// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. -// (c) For more information, see http://www.rosettacommons.org. Questions about this can be -// (c) addressed to University of Washington CoMotion, email: license@uw.edu. - -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include - -//local options -basic::options::StringOptionKey const expERMS( "expERMS" ); -basic::options::StringOptionKey const predERMS( "predERMS" ); - -int main( int argc, char ** argv ) { - basic::options::option.add( expERMS, "Experimental ERMS from SID" ).def(""); - basic::options::option.add( predERMS, "predicted ERMS from SID" ).def(""); - devel::init( argc, argv ); - utility::vector1< std::string > filenames = basic::options::option[ basic::options::OptionKeys::in::file::s ].value(); - if ( filenames.size() > 0 ) { - std::cout << "You entered: " << filenames[ 1 ] << " as the PDB file to be read" << std::endl; - } else { - std::cout << "You didn’t provide a PDB file with the -in::file::s option" << std::endl; - return 1; - } - - core::pose::PoseOP mypose = core::import_pose::pose_from_file( filenames[1] ); - - core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); - - core::Real score = sfxn->score( *mypose ); - std::cout << "Score is: " << score << std::endl; - - - std::string exp_ERMS = basic::options::option[ expERMS ].value(); - std::string pred_ERMS = basic::options::option[ predERMS ].value(); - //std::istringstream ExpERMS; //= utility::io::izstream::open(exp_ERMS) - //std::istringstream PredERMS; //= utility::io::izstream::open(pred_ERMS) - std::string ExpERMS; - std::string PredERMS; - std::fstream(exp_ERMS, std::ios::in ) >> ExpERMS; - std::fstream(pred_ERMS, std::ios::in ) >> PredERMS; - std::cout << "exp ERMS is: " << ExpERMS << std::endl; - std::cout << "pred ERMS is: " << PredERMS << std::endl; - - return 0; -} \ No newline at end of file diff --git a/source/src/apps/public/analysis/SID_ERMS_Rescore.cc b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc new file mode 100644 index 00000000000..e4ceb998069 --- /dev/null +++ b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc @@ -0,0 +1,673 @@ +// -*- mode:c++;tab-width:2;incdent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*- +// vi: set ts=2 noet: +// +// (c) Copyright Rosetta Commons Member Institutions. +// (c) This file is part of the Rosetta software suite and is made available under license. +// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +// (c) For more information, see http://www.rosettacommons.org. Questions about this can be +// (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +/// @file apps/public/analysis/SID_ERMS_rescore +/// @brief Application to rescore a structure based on ERMS data +/// @author Robert Bolz (bolz.13@osu.edu) + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include + +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include + +static basic::Tracer TR( "src.apps.pilot.robert_bolz.SID_ERMS_rescore" ); + +using namespace basic::options; +using namespace basic::options::OptionKeys; + +using namespace basic::options; +using namespace basic::options::OptionKeys; + +//Justin options +basic::options::FileOptionKey const complex_type( "complex_type" ); +basic::options::FileOptionKey const ERMS( "ERMS" ); +basic::options::BooleanOptionKey const RMSE( "RMSE"); +basic::options::FileOptionKey const B_vals( "B_vals" ); +basic::options::RealOptionKey const steepness( "steepness" ); +basic::options::RealOptionKey const breakage_cutoff( "breakage_cutoff" ); + + +//This section of code is copied and adapted from SID_ERMS_prediction (src/apps/public/analysis/SID_ERMS_prediction.cc) for the purpose of simulating the ERMS data for rescoring. + +//calculate probability +core::Real calc_prob(core::Real x,core::Real a, core::Real b) { + return -1.0 / (1.0 + exp(a*(x-b)) ) + 1; +} + +//read in the complex type: subunits and connectivities (nodes and edges) +void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges) { + std::string complex_type_filename; + complex_type_filename = option[ complex_type ](); + utility::io::izstream input(complex_type_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + complex_type_filename ); + utility_exit_with_message( msg ); + } + + //read file + std::string line; + core::Size count = 0; + while ( getline(input,line) ) { + std::istringstream ss(line); + utility::vector1< std::string > inputs = utility::split_whitespace(ss.str()); + //read first line, which contains chain IDs + if ( count==0 ) { + n_chains = inputs.size(); + TR << "Complex type file has " << n_chains << " chains." << std::endl; + for ( core::Size i=1; i<=n_chains; i++ ) { + if ( inputs[i].size() != 1 ) { + std::string const msg( "Chain input incorrectly: " + inputs[i]); + utility_exit_with_message( msg ); + } + char node_curr; + node_curr = inputs[i][0]; + nodes.push_back(node_curr); + TR << "Chain " << i << ": " << node_curr << std::endl; + } + } else { //read in subsequent lines, which contain the interfaces + core::Size n_edges = inputs.size(); //(ss.str().length()+1)/4; + if ( n_edges == 0 ) { + std::string const msg( "Interface input incorrectly"); + utility_exit_with_message( msg ); + } + utility::vector1 edges_curr; + for ( core::Size i=1; i<=n_edges; i++ ) { + std::string edge = inputs[i]; + //check edge format + if ( edge.size()!=3 || edge[1]!='_' ) { + std::string const msg( "Interface input incorrectly: " + edge); + utility_exit_with_message( msg ); + } + + edges_curr.push_back(edge); + } + TR << "Interface type " << count << " has " << n_edges << " symmetric interfaces. Interface " << edges_curr[1] << " is used." << std::endl; + edges.push_back(edges_curr); + } + count++; + } + //check to make sure all chains are involved in at least one interface + for ( core::Size i=1; i<=nodes.size(); i++ ) { + char node_curr = nodes[i]; + bool node_found(false); + for ( core::Size j=1; j<=edges.size(); j++ ) { + for ( core::Size k=1; k<=edges[j].size(); k++ ) { + if ( node_curr==edges[j][k][0] || node_curr==edges[j][k][2] ) { + node_found = true; + } + } + } + if ( !node_found ) { + std::string msg( "Complex type file incorrect. Chain "); + msg.push_back(node_curr); + msg+=" not in an interface. All chains must participate in at least one interface"; + utility_exit_with_message( msg ); + } + } +} + + +//make sure intensities sum to 1 +void check_intensities( const utility::vector1> &ERMS_data ) { + for ( core::Size i=1; i<=ERMS_data.size(); i++ ) { + core::Real sum = 0; + for ( core::Size j=1; j<=ERMS_data[i].size(); j++ ) { + sum += ERMS_data[i][j]; + } + if ( sum < 0.95 || sum > 1.05 ) { + std::string const msg( "Error in ERMS input. Intensities at each acceleration energy must add to 1."); + utility_exit_with_message( msg ); + } + } +} + +//read in acceleration energies or full ERMS +void read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { + + bool input_ERMS = false; + if ( option[ RMSE ].user() ) { + input_ERMS = true; + } else { + TR.Warning << "Acceleration energies read in, but not ERMS values." << std::endl; + } + std::string ERMS_filename; + ERMS_filename = option[ ERMS ](); + utility::io::izstream input(ERMS_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + ERMS_filename ); + utility_exit_with_message( msg ); + } + + //read file + std::string line; + while ( getline(input,line) ) { + std::istringstream ss(line); + core::Real ACE_current; + + ss >> ACE_current; + + if ( ACE_current < 0 ) { + std::string const msg( "Error in acceleration energy input. All acceleration energies must be positive." ); + utility_exit_with_message( msg ); + } + + utility::vector1 ERMS_current; + //read in ERMS data + if ( input_ERMS ) { + for ( core::Size i=1; i<=n_chains; i++ ) { + core::Real ERMS_val_current; + ss >> ERMS_val_current; + + if ( ERMS_val_current < 0 or ERMS_val_current > 1 ) { + std::string const msg( "Error in experimental intensity input. All intensities should be between 0 and 1." ); + utility_exit_with_message( msg ); + } + + ERMS_current.push_back(ERMS_val_current); + } + ERMS_read.push_back(ERMS_current); + } + + runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); + ACE.push_back(ACE_current); + } + check_intensities(ERMS_read); +} + +//read in B values if given via file input +void read_B_vals(utility::vector1 &B) { + std::string B_filename; + B_filename = option[ B_vals ](); + utility::io::izstream input(B_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + B_filename ); + utility_exit_with_message( msg ); + } + + std::stringstream err_msg; + err_msg << "Incorrect number of B values given, must match the number of interface types." << std::endl; + + //read file + std::string line; + core::Size count = 1; + while ( getline(input,line) ) { + std::istringstream ss(line); + + if ( count <= B.size() ) { + ss >> B[count]; + count ++; + } else { + utility_exit_with_message(err_msg.str()); //too many B values input + } + runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); + } + if ( count-1 != B.size() ) { + utility_exit_with_message(err_msg.str()); //too few B values input + } +} + +//check to make sure interfaces are symmetric +void check_interface_symmetry(const core::pose::Pose pose_check, const utility::vector1 &edges_check, core::Real &dSASA, core::Real &PRE) { + core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); + + core::pose::PoseOP pose_checkOP = pose_check.clone(); + + //calculate values for first interface + std::string interface_1(edges_check[1]); + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_1, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + IAM->apply(*pose_checkOP); + protocols::analysis::InterfaceData int_data = IAM->get_all_data(); + utility::vector1< core::Real > dSASA_vec = int_data.dSASA; + core::Real dSASA_1 = dSASA_vec[1];//get_all_per_residue_data + dSASA = dSASA_1; //set actual value + + protocols::analysis::PerResidueInterfaceData int_data_per = IAM->get_all_per_residue_data(); + utility::vector1< core::Real > PRE_vec = int_data_per.regional_avg_per_residue_energy_int; + PRE = PRE_vec[1]; //set actual value + + //calculate size for remaining interfaces and compare to first. Should be within 10%. + for ( core::Size j=2; j<=edges_check.size(); j++ ) { + std::string interface_curr(edges_check[j]); + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_curr, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + IAM->apply(*pose_checkOP); + protocols::analysis::InterfaceData int_data = IAM->get_all_data(); + utility::vector1< core::Real > dSASA_vec = int_data.dSASA; + core::Real dSASA_curr = dSASA_vec[1]; + + //warn if size difference is greater than 10% compared to first interface. + core::Real percent_diff = std::abs(dSASA_1-dSASA_curr)/(dSASA_1)*100.0; + if ( percent_diff > 10 ) { + TR.Warning << "Interfaces " << interface_1 << " and " << interface_curr << " input as symmetric, but size varies by " << percent_diff << " %. Based on the PDB file, there is a high likelihood that the complex type file is incorrect. It is recommended that you adjust the complex type file to remove the symmetry." << std::endl; + } + } +} + +//calculate B values from PDB (and check for disulfide bond if dimer to shift steepness) +void calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ) { + core::Real w_SA(0.488748); + core::Real w_PRE(-457.753); + core::Real w_int(-1488.57); + if ( option[ breakage_cutoff ].user() ) { + w_SA = 0.464145; + w_PRE = -589.803; + w_int = -1834.75; + } + + //read in a vector of chains present in the input PDB. To be used to check against input interfaces + utility::vector1< char > chains; + for ( core::Size i=1; i<=pose_.num_chains(); i++ ) { + chains.push_back(core::pose::get_chain_from_chain_id(i, pose_)); + } + + //loop through the interfaces + for ( core::Size i=1; i<=edges.size(); i++ ) { + + //check to make sure both chains in the interface are in the input PDB + std::stringstream err_msg; + if ( std::find(chains.begin(), chains.end(), edges[i][1][0]) == chains.end() ) { //check first chain + err_msg << "Chain " << edges[i][1][0] << " not in PDB." << std::endl; + utility_exit_with_message(err_msg.str()); + } + if ( std::find(chains.begin(), chains.end(), edges[i][1][2]) == chains.end() ) { //check second chain + err_msg << "Chain " << edges[i][1][2] << " not in PDB." << std::endl; + utility_exit_with_message(err_msg.str()); + } + + std::string interface(edges[i][1]); + + //Initialize IA mover + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + + core::Real dSASA; + core::Real PRE; + //check interface symmetry and (if valid), calculate dSASA and PRE for first interface + check_interface_symmetry(pose_, edges[i], dSASA, PRE); + + B[i] = w_SA*dSASA + w_PRE*PRE + w_int; + TR << "Interface " << edges[i][1] << ": B = " << B[i] << std::endl; + } + + //if dimer, check for disulfide bonds to use different A + if ( n_chains==2 ) { + bool is_DS = false; + //loop through the two chains + for ( core::Size i=1; i<=2; i++ ) { + core::pose::PoseOP current_chain(pose_.split_by_chain(i)); + core::Real num_res = current_chain->size(); + core::Size DS = 0; //intrasubunit disulfide bond calculation + for ( core::Size j=1; j<=num_res; j++ ) { + for ( core::Size k=1; k<=num_res; k++ ) { + if ( current_chain->residue(j).is_bonded(k) && ! current_chain->residue(j).is_polymer_bonded(k) ) { + DS++; + } + } + } + if ( DS>0 ) { + is_DS = true; + } + } + //if there is a disulfide bond, use different steepness + if ( is_DS && !option[ steepness ].user() ) { + A = 0.015; + TR << "Disulfide bond detected for dimer. A = " << A << std::endl; + } + } +} + +//function to simulate ERMS +void simulate_ERMS( utility::vector1> &ERMS_prediction, const utility::vector1 &ACE, const utility::vector1 &B, const core::Size n_chains, const utility::vector1> &edges, const core::Real A, const core::Real breakage_cut, const utility::vector1 &nodes) { + typedef boost::adjacency_list < boost::vecS, boost::vecS, boost::undirectedS > Graph; + core::Size n_sims = 1000; + + TR << "Steepness = " << A << std::endl; + + //loop through the acceleration energies + for ( core::Size i=1; i<=ACE.size(); i++ ) { + core::Real X = ACE[i]; + utility::vector1 PB; //probability of interface breakage + //loop through each B value to calculate the breakage probabilities + for ( core::Size j=1; j<=B.size(); j++ ) { + PB.push_back(calc_prob(X, A, B[j])); + } + + utility::vector1> n_complexes_all; + //loop through each simulation run + for ( core::Size j=1; j<=n_sims; j++ ) { + Graph G(n_chains); + //loop through each interface type + for ( core::Size k=1; k<=B.size(); k++ ) { + //loop through each interface of that type + for ( core::Size l=1; l<=edges[k].size(); l++ ) { + core::Real random_num = numeric::random::uniform(); + if ( random_num > PB[k] ) { + int node_0(nodes.index(edges[k][l][0])-1); + if ( node_0==-1 ) { + std::stringstream err_msg; + err_msg << "Chain " << edges[k][l][0] << " does not match input chains." << std::endl; + utility_exit_with_message(err_msg.str()); + } + int node_1(nodes.index(edges[k][l][2])-1); + if ( node_1==-1 ) { + std::stringstream err_msg; + err_msg << "Chain " << edges[k][l][2] << " does not match input chains." << std::endl; + utility_exit_with_message(err_msg.str()); + } + add_edge(node_0, node_1, G); + } + } + } + utility::vector1 c(num_vertices(G)); + core::Size num = connected_components(G, make_iterator_property_map(c.begin(), get(boost::vertex_index, G), c[1])); + utility::vector1::iterator k; + utility::vector1 n_components(num, 0); + for ( k = c.begin(); k != c.end(); ++k ) { + n_components[*k+1]++; + } + utility::vector1 n_complexes; + for ( core::Size k=1; k<=n_chains; k++ ) { + n_complexes.push_back(count(n_components.begin(), n_components.end(), k)); + } + n_complexes_all.push_back(n_complexes); + } + //calculate the average complexes + utility::vector1 avg_complexes(n_chains, 0.0); + for ( core::Size j=1; j<=n_sims; j++ ) { + for ( core::Size k=1; k<=n_chains; k++ ) { + avg_complexes[k] += n_complexes_all[j][k]; + } + } + for ( core::Size j=1; j<=n_chains; j++ ) { + avg_complexes[j] = avg_complexes[j]/n_sims; + } + //normalize average complexes + if ( X==0 or X <= breakage_cut ) { //breakage not yet allowed, all precursor + for ( core::Size j=1; j<=n_chains; j++ ) { + if ( j==n_chains ) { + ERMS_prediction[j].push_back(1.0); + } else { + ERMS_prediction[j].push_back(0.0); + } + } + } else { + for ( core::Size j=1; j<=n_chains; j++ ) { + ERMS_prediction[j].push_back(avg_complexes[j]*(j)/n_chains); + } + } + } +} + +core::Real calc_RMSE(const utility::vector1> & ERMS_prediction, const utility::vector1> &ERMS, const core::Size n_chains, const core::Size n_ACE) { + core::Real RMSE_val(0.0); + core::Size count(0); + for ( core::Size i=1; i<=n_ACE; i++ ) { + for ( core::Size j=1; j<=n_chains; j++ ) { + RMSE_val += pow(ERMS_prediction[n_chains-(j-1)][i]-ERMS[i][j],2); + count +=1; + } + } + + RMSE_val = pow(RMSE_val/count, 0.5); + return RMSE_val; +} + +//end copied and adapted section + +//calculate the rescored model +core::Real Rescore_models( const core::Real nscore_, const core::Real RMSE_, const core::Real max_, const core::Real min_ ){ + //score structure + core::Real rescore, midpnt, e_exp; + midpnt = (max_ + min_ )/2; + e_exp = (50 * RMSE_) - (0.9 * 50 * midpnt); + rescore = 1000 * ( 1 - ( 1 /(0.1 + ( exp( e_exp ) ) ) ) ); + if (rescore < 0) { + rescore = 0; + } + + rescore += nscore_; + return rescore; +} + +int +main( int argc, char * argv [] ) +{ + + try{ + using namespace basic::options; + using namespace basic::options::OptionKeys; + using namespace core::scoring; + using namespace utility; + using namespace core; + using namespace core::pose; + + //inputting all options + + //hold over local options for ERMS prediction + option.add( complex_type, "TSV file containing the information on complex type (nodes and edges)" ).def("comp.tsv"); + option.add( ERMS, "TSV file containing the ERMS data or acceleration energies" ).def("ERMS.tsv"); + option.add( RMSE, "Calculate RMSE?" ).def(false); + option.add( B_vals, "TSV file containing the B values (eV) for the interfaces" ).def("B.tsv"); + option.add( steepness, "Steepness value (A) as input by the user" ); + option.add( breakage_cutoff, "Breakage cutoff for simulation (eV)" ).def(0.0); + + devel::init( argc, argv ); + + //checking and reading all inputs + + core::Real A_(0.0025); + + //breakage cutoff + core::Real breakage_cutoff_(0.0); + if ( option[ breakage_cutoff ].user() ) { + breakage_cutoff_ = option[ breakage_cutoff ](); + if ( breakage_cutoff_ < 0 ) { + std::stringstream err_msg; + err_msg << "Breakage cutoff must be greater than zero. Value of " << breakage_cutoff_ << " eV given." << std::endl; + utility_exit_with_message(err_msg.str()); + } + A_ = 0.002; //default steepness when using breakage cutoff + } + + //steepness parameter + if ( option[ steepness ].user() ) { + A_ = option[ steepness ](); + TR.Warning << "Custom steepness of " << A_ << " input. Not recommended." << std::endl; + } + + //complex type (nodes and edges) + core::Size n_chains_; + utility::vector1 nodes_; + utility::vector1> edges_; + if ( option[ complex_type ].user() ) { + read_complex_type(n_chains_, nodes_, edges_); + } else { + std::stringstream err_msg; + err_msg << "Must input the complex type using the complex_type option." << std::endl; + utility_exit_with_message(err_msg.str()); + } + TR << "Complex type read in" << std::endl; + + //create score function object + core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); + + std::ostringstream out; + + out << "Structure" << "\t" << "RMSE" << "\t" << "Ref15_Score" << "\t" << "ERMS Rescore" << std::endl; + + utility::vector1 rmse_list; + utility::vector1 score_list; + + //pose specific input checks + + utility::vector1 files; + utility::vector1 list; + if ( option[in::file::l].user() ) { + TR << "using -l option " << std::endl; + list = basic::options::option[ in::file::l ](); + for ( auto const & listfile : list ) { + utility::io::izstream pdbs( listfile ); + std::string fname; + while ( pdbs >> fname ) { + files.push_back(fname); + } + } + for ( auto const & file : files ) { + TR << "creating pose for " << file << std::endl; + pose::Pose pose_in; + core::import_pose::pose_from_file(pose_in, file, core::import_pose::PDB_file); + TR << "created pose for " << file << std::endl; + //std::string output = pose_in->pdb_info()->name(); + + //set up vector of B values. Length is number of different interface types + TR << "edges size is: " << edges_.size() << std::endl; + utility::vector1 B_(edges_.size(), 0.0); + if ( option[ B_vals ].user() ) { + //read in B values if given by file input + read_B_vals(B_); + TR << "B values read in from file" << std::endl; + if ( option[ basic::options::OptionKeys::in::file::l ].user() ) { + TR.Warning << "PDB file input not used. B values read from file instead. To calculate B from structure, remove the flag (B_vals)." << std::endl; + } + } else { + if ( !option[ basic::options::OptionKeys::in::file::l ].user() ) { + std::stringstream err_msg; + err_msg << "Must input either file containing B values (using flag B_vals) or PDB file to calculate B values for simulation." << std::endl; + utility_exit_with_message(err_msg.str()); + } + + calc_B_values(B_, edges_, A_, n_chains_, pose_in); //read in PDB and calculate B values for each the first in each interface type + TR << "B values read in from structure" << std::endl; + + + //read in ERMS data: acceleration energies and ERMS data (if applicable) + utility::vector1 ACE_; //Acceleration energies, read from file or input automatically + utility::vector1> ERMS_; + if ( option[ ERMS ].user() ) { + read_ERMS(ACE_, ERMS_, n_chains_); + TR << "Acceleration energies and ERMS read in from file" << std::endl; + } else { + //if no acceleration energies are input, the range is set from 0 to 2x max B, with 10 steps in between + core::Real step_size = (*max_element(B_.begin(), B_.end()))*2/10; + ACE_.push_back(0.0); + for ( core::Size i=1; i<=10; i++ ) { + ACE_.push_back(i*step_size); + } + TR << "Acceleration energies set up based on max B" << std::endl; + } + + + //simulate ERMS + utility::vector1> ERMS_prediction_(n_chains_); + simulate_ERMS(ERMS_prediction_, ACE_, B_, n_chains_, edges_, A_, breakage_cutoff_, nodes_); + TR << "ERMS simulation complete" << std::endl; + + //calculte RMSE (if applicable) + if ( option[ RMSE ].user() && option[ ERMS ].user() ) { + calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); + } + if ( option[ RMSE ].user() && !option[ ERMS ].user() ) { + TR.Warning << "RMSE cannot be calculated without ERMS data input." << std::endl; + } + + //get score of structure + core::Real score_ = sfxn->score( pose_in ); + + //output results to file + core::Real RMSE_value_(0.0); + RMSE_value_ = calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); + rmse_list.push_back(RMSE_value_); + score_list.push_back(score_); + } + } + //Determine maximum and minimum RMSE + core::Real max_rmse(0.0); + core::Real min_rmse(1.0); + + for ( core::Size i = 1; i <= rmse_list.size(); i++ ) { + if ( max_rmse < rmse_list[i] ) { + max_rmse = rmse_list[i]; + } + } + for ( core::Size i = 1; i <= rmse_list.size(); i++ ) { + if ( min_rmse > rmse_list[i] ) { + min_rmse = rmse_list[i]; + } + } + + //Calculate rescore for each structure + for ( core::Size i=1; i <= rmse_list.size(); i++ ) { + core::Real Rescored_value_(0.0); + Rescored_value_ = Rescore_models(score_list[i], rmse_list[i], max_rmse, min_rmse); + out << files[i] << "\t" << rmse_list[i] << "\t" << score_list[i] << "\t" << Rescored_value_ << std::endl; + } + + //output rescores as a file + using namespace basic::options; + using namespace basic::options::OptionKeys; + std::string outfile("output_rescore.tsv"); + if ( option[ out::file::o ].user() ) outfile = option[ out::file::o ](); + utility::io::ozstream outz( outfile.c_str() ); + outz << out.str(); + outz.close(); + outz.clear(); + TR << "Output results complete." << std::endl; + } + + } catch (utility::excn::Exception const & e ) { + e.display(); + return -1; + } + + return 0; +} diff --git a/source/src/pilot_apps.src.settings.all b/source/src/pilot_apps.src.settings.all index cb8fdd117ea..64c12159263 100644 --- a/source/src/pilot_apps.src.settings.all +++ b/source/src/pilot_apps.src.settings.all @@ -874,7 +874,7 @@ sources = { "ligand_dock_jd1", # /* Old, jd1 version of ligand_dock, in case someone really needs it. */ ], "pilot/robert_bolz" : [ - "sid_erms", + "SID_ERMS_Rescore", ], "pilot/ronj" : [ #"surface_optE_parallel", diff --git a/source/test_sid_erms_app_debug.sh b/source/test_sid_erms_app_debug.sh index 74f6794d67b..9084b7c1b93 100755 --- a/source/test_sid_erms_app_debug.sh +++ b/source/test_sid_erms_app_debug.sh @@ -1 +1,7 @@ -./bin/sid_erms.default.linuxgccdebug -in:file:s ../inputs/1UBQ.pdb -expERMS ../inputs/exp_ERMS.csv -predERMS ../inputs/test_ERMS.csv +./bin/SID_ERMS_Rescore.default.linuxgccdebug \ + -database ../database \ + -in::file::l ../inputs/inputs/in_list \ + -out:file:o ../inputs/test_output.out \ + -complex_type ../inputs/C2.sym \ + -ERMS ../inputs/exp_ERMS.csv \ + -RMSE true From 2f6a384ec4fde2ae001d2ce42bf51b007885c9e7 Mon Sep 17 00:00:00 2001 From: "bolz.13" Date: Thu, 16 Jan 2025 12:54:34 -0500 Subject: [PATCH 3/7] Added integration test for SID_ERMS_Rescore application --- .../tests/SID_ERMS_Rescore/command | 68 + .../integration/tests/SID_ERMS_Rescore/flags | 5 + .../tests/SID_ERMS_Rescore/inputs/1VGT.pdb | 3870 +++++++++++++++++ .../tests/SID_ERMS_Rescore/inputs/1VGX.pdb | 3870 +++++++++++++++++ .../tests/SID_ERMS_Rescore/inputs/C2.sym | 2 + .../SID_ERMS_Rescore/inputs/exp_ERMS.csv | 21 + .../tests/SID_ERMS_Rescore/inputs/in_list | 2 + .../SID_ERMS_Rescore/inputs/test_ERMS.csv | 21 + .../SID_ERMS_Rescore/inputs/test_output.out | 3 + 9 files changed, 7862 insertions(+) create mode 100644 tests/integration/tests/SID_ERMS_Rescore/command create mode 100644 tests/integration/tests/SID_ERMS_Rescore/flags create mode 100644 tests/integration/tests/SID_ERMS_Rescore/inputs/1VGT.pdb create mode 100644 tests/integration/tests/SID_ERMS_Rescore/inputs/1VGX.pdb create mode 100644 tests/integration/tests/SID_ERMS_Rescore/inputs/C2.sym create mode 100644 tests/integration/tests/SID_ERMS_Rescore/inputs/exp_ERMS.csv create mode 100644 tests/integration/tests/SID_ERMS_Rescore/inputs/in_list create mode 100644 tests/integration/tests/SID_ERMS_Rescore/inputs/test_ERMS.csv create mode 100644 tests/integration/tests/SID_ERMS_Rescore/inputs/test_output.out diff --git a/tests/integration/tests/SID_ERMS_Rescore/command b/tests/integration/tests/SID_ERMS_Rescore/command new file mode 100644 index 00000000000..46532d9b61f --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/command @@ -0,0 +1,68 @@ +# +# This is a command file. +# +# To make a new test, all you have to do is: +# 1. Make a new directory under tests/ +# 2. Put a file like this (named "command") into that directory. +# +# The contents of this file will be passed to the shell (Bash or SSH), +# so any legal shell commands can go in this file. +# Or comments like this one, for that matter. +# +# Variable substiution is done using Python's printf format, +# meaning you need a percent sign, the variable name in parentheses, +# and the letter 's' (for 'string'). +# +# Available variables include: +# workdir the directory where test input files have been copied, +# and where test output files should end up. +# minidir the base directory where Mini lives +# database where the Mini database lives +# bin where the Mini binaries live +# binext the extension on binary files, like ".linuxgccrelease" +# python the full path to the Python interpretter +# +# The most important thing is that the test execute in the right directory. +# This is especially true when we're using SSH to execute on other hosts. +# All command files should start with this line: +# + +cd %(workdir)s + +# making script terminate with error after any command that return non zero exit code +set -e + +# +# After that, do whatever you want. + +# Some time test could output information which is might be of interest but not stable from +# run-to-run: run times, memory consumption and so on. To preserve this information please save it in file with ‘.ignore’ extension: +date > start-time.ignore + +# +# It's nice to test that the executable exists first, to ensure the test actually runs: +# +[ -x %(bin)s/SID_ERMS_Rescore.%(binext)s ] || exit 1 +# +# Files will be diffed verbatim, so if you want to log output and compare it, +# you'll need to filter out lines that change randomly (e.g. timings). +# Prefixing your tests with "nice" is probably good form as well. +# Don't forget to use -testing:INTEGRATION_TEST so results are reproducible. +# Here's a typical test for a Mini binary, assuming there's a "flags" file +# in this directory too: +# +%(bin)s/SID_ERMS_Rescore.%(binext)s %(additional_flags)s @flags -database %(database)s -testing:INTEGRATION_TEST 2>&1 \ + | egrep -vf ../../ignore_list \ + > log +# +test "${PIPESTATUS[0]}" != '0' && exit 1 || true # Check if the first executable in pipe line return error and exit with error code if so +# ^^^^ you want to add this line after each call to app-protocol in case they terminate abnormally + +# +# Or if you don't care whether the logging output changes: +# +## %(bin)s/MY_MINI_PROGRAM.%(binext)s %(additional_flags)s @flags -database %(database)s -testing:INTEGRATION_TEST 2>&1 \ +## > /dev/null +# + +date > finish-time.ignore diff --git a/tests/integration/tests/SID_ERMS_Rescore/flags b/tests/integration/tests/SID_ERMS_Rescore/flags new file mode 100644 index 00000000000..8bac93a88fd --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/flags @@ -0,0 +1,5 @@ +-in::file::l ./inputs/in_list +-out:file:o ./inputs/test_output.out +-complex_type ./inputs/C2.sym +-ERMS ./inputs/exp_ERMS.csv +-RMSE true diff --git a/tests/integration/tests/SID_ERMS_Rescore/inputs/1VGT.pdb b/tests/integration/tests/SID_ERMS_Rescore/inputs/1VGT.pdb new file mode 100644 index 00000000000..6f14f33148e --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/inputs/1VGT.pdb @@ -0,0 +1,3870 @@ +HEADER TRANSFERASE 03-NOV-03 1VGT +TITLE CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL +TITLE 2 SYNTHASE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE; +COMPND 3 CHAIN: A, B; +COMPND 4 SYNONYM: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE, MEP +COMPND 5 CYTIDYLYLTRANSFERASE, MCT, CDP-ME SYNTHETASE; +COMPND 6 EC: 2.7.7.60; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; +SOURCE 3 ORGANISM_TAXID: 562; +SOURCE 4 GENE: ISPD, B2747; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS STRUCTURAL GENOMICS, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR STRUCTURAL GENOMIX +REVDAT 7 27-DEC-23 1VGT 1 REMARK +REVDAT 6 04-OCT-17 1VGT 1 REMARK +REVDAT 5 13-JUL-11 1VGT 1 VERSN +REVDAT 4 24-FEB-09 1VGT 1 VERSN +REVDAT 3 30-AUG-05 1VGT 1 JRNL +REVDAT 2 30-DEC-03 1VGT 1 JRNL +REVDAT 1 25-NOV-03 1VGT 0 +JRNL AUTH J.BADGER,J.M.SAUDER,J.M.ADAMS,S.ANTONYSAMY,K.BAIN, +JRNL AUTH 2 M.G.BERGSEID,S.G.BUCHANAN,M.D.BUCHANAN,Y.BATIYENKO, +JRNL AUTH 3 J.A.CHRISTOPHER,S.EMTAGE,A.EROSHKINA,I.FEIL,E.B.FURLONG, +JRNL AUTH 4 K.S.GAJIWALA,X.GAO,D.HE,J.HENDLE,A.HUBER,K.HODA,P.KEARINS, +JRNL AUTH 5 C.KISSINGER,B.LAUBERT,H.A.LEWIS,J.LIN,K.LOOMIS,D.LORIMER, +JRNL AUTH 6 G.LOUIE,M.MALETIC,C.D.MARSH,I.MILLER,J.MOLINARI, +JRNL AUTH 7 H.J.MULLER-DIECKMANN,J.M.NEWMAN,B.W.NOLAND,B.PAGARIGAN, +JRNL AUTH 8 F.PARK,T.S.PEAT,K.W.POST,S.RADOJICIC,A.RAMOS,R.ROMERO, +JRNL AUTH 9 M.E.RUTTER,W.E.SANDERSON,K.D.SCHWINN,J.TRESSER,J.WINHOVEN, +JRNL AUTH10 T.A.WRIGHT,L.WU,J.XU,T.J.HARRIS +JRNL TITL STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A +JRNL TITL 2 BACTERIAL GENOMICS PROJECT +JRNL REF PROTEINS V. 60 787 2005 +JRNL REFN ISSN 0887-3585 +JRNL PMID 16021622 +JRNL DOI 10.1002/PROT.20541 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 4.0 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.65 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 40898 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.224 +REMARK 3 FREE R VALUE : 0.253 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2071 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3176 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 197 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.22 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.93100 +REMARK 3 B22 (A**2) : 0.38600 +REMARK 3 B33 (A**2) : -1.31600 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): NULL +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.028 ; NULL +REMARK 3 ANGLE DISTANCE (A) : 2.398 ; NULL +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.013 ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.174 ; NULL +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : NULL ; NULL +REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL +REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 2.878 ; NULL +REMARK 3 STAGGERED (DEGREES) : NULL ; NULL +REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.151 ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.318 ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.402 ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.985 ; NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1VGT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-03. +REMARK 100 THE DEPOSITION ID IS D_1000001852. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 32-ID +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9795, 0.9641, 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE +REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40899 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 22.650 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 +REMARK 200 DATA REDUNDANCY : 6.600 +REMARK 200 R MERGE (I) : 0.05800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 17.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 +REMARK 200 COMPLETENESS FOR SHELL (%) : 96.8 +REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.45500 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 4.600 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SE-MET MAD PHASING +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 42.64 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.19250 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 69.19250 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA,PQS +REMARK 350 TOTAL BURIED SURFACE AREA: 3240 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 18220 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A -1 +REMARK 465 SER A 0 +REMARK 465 LEU A 1 +REMARK 465 ALA A 2 +REMARK 465 THR A 3 +REMARK 465 THR A 4 +REMARK 465 HIS A 5 +REMARK 465 GLY A 16 +REMARK 465 PHE A 17 +REMARK 465 GLY A 18 +REMARK 465 ARG A 19 +REMARK 465 ARG A 20 +REMARK 465 MET A 21 +REMARK 465 GLN A 22 +REMARK 465 THR A 23 +REMARK 465 GLU A 24 +REMARK 465 CYS A 25 +REMARK 465 PRO A 60 +REMARK 465 GLY A 61 +REMARK 465 ASP A 62 +REMARK 465 ARG A 216 +REMARK 465 PRO A 217 +REMARK 465 THR A 228 +REMARK 465 ARG A 229 +REMARK 465 THR A 230 +REMARK 465 ILE A 231 +REMARK 465 HIS A 232 +REMARK 465 GLN A 233 +REMARK 465 GLU A 234 +REMARK 465 ASN A 235 +REMARK 465 THR A 236 +REMARK 465 MET B -1 +REMARK 465 SER B 0 +REMARK 465 LEU B 1 +REMARK 465 ALA B 2 +REMARK 465 THR B 3 +REMARK 465 THR B 4 +REMARK 465 HIS B 5 +REMARK 465 ARG B 19 +REMARK 465 ARG B 20 +REMARK 465 MET B 21 +REMARK 465 GLN B 22 +REMARK 465 THR B 23 +REMARK 465 GLU B 24 +REMARK 465 CYS B 25 +REMARK 465 THR B 230 +REMARK 465 ILE B 231 +REMARK 465 HIS B 232 +REMARK 465 GLN B 233 +REMARK 465 GLU B 234 +REMARK 465 ASN B 235 +REMARK 465 THR B 236 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ASP A 83 CG OD1 OD2 +REMARK 470 LYS A 148 CD CE NZ +REMARK 470 GLU A 172 CD OE1 OE2 +REMARK 470 GLN A 203 CD OE1 NE2 +REMARK 470 GLU A 218 CG CD OE1 OE2 +REMARK 470 LYS B 27 CD CE NZ +REMARK 470 ARG B 64 CG CD NE CZ NH1 NH2 +REMARK 470 GLN B 67 CG CD OE1 NE2 +REMARK 470 ASP B 83 CG OD1 OD2 +REMARK 470 ASP B 98 CG OD1 OD2 +REMARK 470 GLU B 125 CG CD OE1 OE2 +REMARK 470 ARG B 128 CD NE CZ NH1 NH2 +REMARK 470 LYS B 148 CG CD CE NZ +REMARK 470 ARG B 216 NE CZ NH1 NH2 +REMARK 470 ARG B 229 NE CZ NH1 NH2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 LEU A 103 CA - CB - CG ANGL. DEV. = 14.9 DEGREES +REMARK 500 ARG A 171 CD - NE - CZ ANGL. DEV. = 11.2 DEGREES +REMARK 500 CYS A 177 CA - CB - SG ANGL. DEV. = 11.9 DEGREES +REMARK 500 ARG A 180 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES +REMARK 500 TYR A 197 CB - CG - CD1 ANGL. DEV. = -5.5 DEGREES +REMARK 500 ARG B 53 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ARG B 143 CD - NE - CZ ANGL. DEV. = 16.4 DEGREES +REMARK 500 ARG B 143 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASN A 149 57.24 -102.42 +REMARK 500 THR A 189 -77.40 -104.67 +REMARK 500 ALA B 108 32.78 -99.83 +REMARK 500 ASP B 139 -156.66 -109.71 +REMARK 500 ASN B 149 57.26 -97.94 +REMARK 500 LEU B 164 -165.96 -109.88 +REMARK 500 THR B 189 -78.44 -122.77 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1VGT A 2 236 UNP Q46893 ISPD_ECOLI 1 235 +DBREF 1VGT B 2 236 UNP Q46893 ISPD_ECOLI 1 235 +SEQADV 1VGT MET A -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER A 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU A 1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT MET B -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER B 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU B 1 UNP Q46893 CLONING ARTIFACT +SEQRES 1 A 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 A 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 A 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 A 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 A 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 A 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 A 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 A 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 A 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 A 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 A 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 A 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 A 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 A 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 A 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 A 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 A 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 A 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 A 238 GLN GLU ASN THR +SEQRES 1 B 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 B 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 B 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 B 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 B 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 B 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 B 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 B 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 B 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 B 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 B 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 B 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 B 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 B 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 B 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 B 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 B 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 B 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 B 238 GLN GLU ASN THR +FORMUL 3 HOH *197(H2 O) +HELIX 1 1 PRO A 26 TYR A 29 5 4 +HELIX 2 2 ILE A 37 ALA A 47 1 11 +HELIX 3 3 SER A 63 LEU A 68 1 6 +HELIX 4 4 PRO A 69 HIS A 73 5 5 +HELIX 5 5 GLU A 84 ALA A 95 1 12 +HELIX 6 6 HIS A 113 ALA A 122 1 10 +HELIX 7 7 ALA A 122 SER A 127 1 6 +HELIX 8 8 ARG A 171 GLU A 184 1 14 +HELIX 9 9 ASP A 190 GLY A 199 1 10 +HELIX 10 10 GLU A 218 LEU A 227 1 10 +HELIX 11 11 ILE B 37 ALA B 47 1 11 +HELIX 12 12 ARG B 64 HIS B 73 5 10 +HELIX 13 13 GLU B 84 LYS B 94 1 11 +HELIX 14 14 HIS B 113 ALA B 122 1 10 +HELIX 15 15 ALA B 122 SER B 127 1 6 +HELIX 16 16 ARG B 171 GLU B 184 1 14 +HELIX 17 17 ASP B 190 CYS B 198 1 9 +HELIX 18 18 GLU B 218 ARG B 229 1 12 +SHEET 1 A 7 ILE A 76 ASP A 80 0 +SHEET 2 A 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 A 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 A 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 A 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 A 7 GLY A 131 PRO A 136 -1 N ALA A 135 O HIS A 162 +SHEET 7 A 7 GLN A 203 GLU A 206 1 O VAL A 205 N ILE A 132 +SHEET 1 B 7 ILE A 76 ASP A 80 0 +SHEET 2 B 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 B 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 B 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 B 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 B 7 MET B 141 ALA B 144 -1 O LYS B 142 N TRP A 161 +SHEET 7 B 7 ILE B 151 VAL B 155 -1 O HIS B 153 N ARG B 143 +SHEET 1 C 2 SER A 31 ILE A 32 0 +SHEET 2 C 2 GLN A 35 THR A 36 -1 O GLN A 35 N ILE A 32 +SHEET 1 D 7 ILE A 151 VAL A 155 0 +SHEET 2 D 7 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 D 7 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 D 7 TRP B 101 VAL B 104 -1 N VAL B 102 O PHE B 169 +SHEET 5 D 7 VAL B 8 ALA B 14 1 N VAL B 11 O LEU B 103 +SHEET 6 D 7 VAL B 51 ILE B 58 1 O VAL B 55 N ALA B 10 +SHEET 7 D 7 ILE B 76 ASP B 80 1 O THR B 77 N ILE B 56 +SHEET 1 E 5 ILE A 151 VAL A 155 0 +SHEET 2 E 5 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 E 5 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 E 5 GLY B 131 PRO B 136 -1 N ALA B 135 O HIS B 162 +SHEET 5 E 5 GLN B 203 GLU B 206 1 O VAL B 205 N ILE B 132 +SHEET 1 F 2 SER B 31 ILE B 32 0 +SHEET 2 F 2 GLN B 35 THR B 36 -1 O GLN B 35 N ILE B 32 +SSBOND 1 CYS A 177 CYS A 198 1555 1555 2.10 +SSBOND 2 CYS B 177 CYS B 198 1555 1555 2.85 +CISPEP 1 THR A 165 PRO A 166 0 3.49 +CISPEP 2 THR B 165 PRO B 166 0 4.29 +CRYST1 40.866 78.783 138.385 90.00 90.00 90.00 P 21 21 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.024470 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.012693 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.007226 0.00000 +ATOM 1 N LEU A 6 14.062 28.153 58.701 1.00 42.92 N +ATOM 2 CA LEU A 6 14.250 29.073 57.602 1.00 40.74 C +ATOM 3 C LEU A 6 15.174 30.233 57.953 1.00 37.63 C +ATOM 4 O LEU A 6 15.776 30.811 57.034 1.00 37.92 O +ATOM 5 CB LEU A 6 12.946 29.615 57.039 1.00 42.62 C +ATOM 6 CG LEU A 6 12.026 28.747 56.211 1.00 48.58 C +ATOM 7 CD1 LEU A 6 10.760 29.545 55.789 1.00 49.08 C +ATOM 8 CD2 LEU A 6 12.730 28.279 54.921 1.00 48.00 C +ATOM 9 N ASP A 7 15.347 30.597 59.211 1.00 35.36 N +ATOM 10 CA ASP A 7 16.219 31.721 59.539 1.00 33.08 C +ATOM 11 C ASP A 7 17.647 31.508 59.038 1.00 30.64 C +ATOM 12 O ASP A 7 18.235 30.450 59.206 1.00 31.48 O +ATOM 13 CB ASP A 7 16.298 31.960 61.046 1.00 39.91 C +ATOM 14 CG ASP A 7 14.963 32.324 61.666 1.00 45.41 C +ATOM 15 OD1 ASP A 7 14.068 32.779 60.942 1.00 42.12 O +ATOM 16 OD2 ASP A 7 14.865 32.111 62.903 1.00 51.03 O +ATOM 17 N VAL A 8 18.219 32.580 58.515 1.00 29.24 N +ATOM 18 CA VAL A 8 19.582 32.577 58.013 1.00 26.32 C +ATOM 19 C VAL A 8 20.378 33.663 58.744 1.00 26.07 C +ATOM 20 O VAL A 8 19.828 34.721 59.056 1.00 23.30 O +ATOM 21 CB VAL A 8 19.553 32.940 56.507 1.00 27.57 C +ATOM 22 CG1 VAL A 8 20.917 33.197 55.937 1.00 25.06 C +ATOM 23 CG2 VAL A 8 18.849 31.818 55.708 1.00 27.58 C +ATOM 24 N CYS A 9 21.647 33.380 59.038 1.00 22.43 N +ATOM 25 CA CYS A 9 22.489 34.415 59.632 1.00 20.76 C +ATOM 26 C CYS A 9 23.617 34.669 58.572 1.00 22.17 C +ATOM 27 O CYS A 9 24.091 33.678 58.035 1.00 22.96 O +ATOM 28 CB CYS A 9 23.172 33.926 60.913 1.00 23.02 C +ATOM 29 SG CYS A 9 24.164 35.158 61.723 1.00 21.81 S +ATOM 30 N ALA A 10 23.795 35.906 58.197 1.00 20.70 N +ATOM 31 CA ALA A 10 24.857 36.210 57.215 1.00 20.32 C +ATOM 32 C ALA A 10 26.130 36.546 57.982 1.00 21.15 C +ATOM 33 O ALA A 10 26.079 36.968 59.149 1.00 21.25 O +ATOM 34 CB ALA A 10 24.412 37.410 56.383 1.00 21.33 C +ATOM 35 N VAL A 11 27.269 36.364 57.353 1.00 19.68 N +ATOM 36 CA VAL A 11 28.560 36.673 57.937 1.00 20.51 C +ATOM 37 C VAL A 11 29.330 37.507 56.877 1.00 23.30 C +ATOM 38 O VAL A 11 29.366 37.053 55.730 1.00 21.76 O +ATOM 39 CB VAL A 11 29.371 35.442 58.295 1.00 21.79 C +ATOM 40 CG1 VAL A 11 30.808 35.768 58.680 1.00 20.65 C +ATOM 41 CG2 VAL A 11 28.700 34.707 59.476 1.00 21.30 C +ATOM 42 N VAL A 12 29.839 38.650 57.318 1.00 21.83 N +ATOM 43 CA VAL A 12 30.615 39.489 56.374 1.00 23.64 C +ATOM 44 C VAL A 12 32.010 39.602 56.958 1.00 28.72 C +ATOM 45 O VAL A 12 32.194 40.293 57.986 1.00 30.27 O +ATOM 46 CB VAL A 12 30.006 40.872 56.176 1.00 26.69 C +ATOM 47 CG1 VAL A 12 30.849 41.745 55.203 1.00 24.66 C +ATOM 48 CG2 VAL A 12 28.598 40.783 55.611 1.00 24.43 C +ATOM 49 N PRO A 13 32.979 38.927 56.387 1.00 27.83 N +ATOM 50 CA PRO A 13 34.358 39.022 56.922 1.00 31.17 C +ATOM 51 C PRO A 13 34.880 40.386 56.541 1.00 33.27 C +ATOM 52 O PRO A 13 34.938 40.764 55.378 1.00 34.75 O +ATOM 53 CB PRO A 13 35.049 37.840 56.313 1.00 31.04 C +ATOM 54 CG PRO A 13 34.195 37.278 55.269 1.00 27.98 C +ATOM 55 CD PRO A 13 32.901 38.061 55.206 1.00 30.65 C +ATOM 56 N ALA A 14 35.172 41.259 57.521 1.00 36.76 N +ATOM 57 CA ALA A 14 35.593 42.618 57.176 1.00 40.08 C +ATOM 58 C ALA A 14 36.796 43.108 57.946 1.00 42.28 C +ATOM 59 O ALA A 14 36.921 44.309 58.225 1.00 43.55 O +ATOM 60 CB ALA A 14 34.401 43.555 57.347 1.00 37.20 C +ATOM 61 N ALA A 15 37.704 42.194 58.311 1.00 43.70 N +ATOM 62 CA ALA A 15 38.889 42.580 59.077 1.00 45.75 C +ATOM 63 C ALA A 15 40.148 42.616 58.211 1.00 48.62 C +ATOM 64 O ALA A 15 40.094 42.371 56.995 1.00 50.27 O +ATOM 65 CB ALA A 15 39.093 41.598 60.227 1.00 46.95 C +ATOM 66 N PRO A 26 40.471 49.533 53.116 1.00 48.01 N +ATOM 67 CA PRO A 26 39.555 50.648 52.914 1.00 46.95 C +ATOM 68 C PRO A 26 38.569 50.451 51.814 1.00 43.12 C +ATOM 69 O PRO A 26 37.569 51.187 51.731 1.00 41.74 O +ATOM 70 CB PRO A 26 40.541 51.775 52.542 1.00 48.84 C +ATOM 71 CG PRO A 26 41.722 51.509 53.392 1.00 49.92 C +ATOM 72 CD PRO A 26 41.686 50.069 53.821 1.00 50.28 C +ATOM 73 N LYS A 27 38.763 49.451 50.926 1.00 39.80 N +ATOM 74 CA LYS A 27 37.774 49.319 49.847 1.00 37.54 C +ATOM 75 C LYS A 27 36.351 49.369 50.315 1.00 33.88 C +ATOM 76 O LYS A 27 35.518 50.143 49.837 1.00 34.01 O +ATOM 77 CB LYS A 27 38.070 48.092 48.974 1.00 41.12 C +ATOM 78 CG LYS A 27 39.320 48.291 48.103 1.00 47.56 C +ATOM 79 CD LYS A 27 39.255 49.619 47.352 1.00 48.51 C +ATOM 80 CE LYS A 27 40.613 50.048 46.835 1.00 53.82 C +ATOM 81 NZ LYS A 27 41.738 49.528 47.669 1.00 55.97 N +ATOM 82 N GLN A 28 35.998 48.623 51.371 1.00 35.18 N +ATOM 83 CA GLN A 28 34.642 48.612 51.870 1.00 35.98 C +ATOM 84 C GLN A 28 34.276 49.915 52.583 1.00 34.55 C +ATOM 85 O GLN A 28 33.102 50.153 52.823 1.00 33.76 O +ATOM 86 CB GLN A 28 34.424 47.418 52.811 1.00 40.38 C +ATOM 87 CG GLN A 28 35.011 47.637 54.195 1.00 45.79 C +ATOM 88 CD GLN A 28 36.424 47.122 54.295 1.00 51.58 C +ATOM 89 OE1 GLN A 28 37.246 47.369 53.402 1.00 58.72 O +ATOM 90 NE2 GLN A 28 36.702 46.379 55.362 1.00 53.77 N +ATOM 91 N TYR A 29 35.263 50.777 52.811 1.00 35.63 N +ATOM 92 CA TYR A 29 34.984 52.065 53.459 1.00 37.51 C +ATOM 93 C TYR A 29 34.909 53.196 52.470 1.00 39.63 C +ATOM 94 O TYR A 29 34.765 54.369 52.817 1.00 40.92 O +ATOM 95 CB TYR A 29 35.959 52.302 54.607 1.00 37.98 C +ATOM 96 CG TYR A 29 35.770 51.337 55.768 1.00 37.37 C +ATOM 97 CD1 TYR A 29 36.864 50.803 56.425 1.00 36.72 C +ATOM 98 CD2 TYR A 29 34.502 50.976 56.184 1.00 36.22 C +ATOM 99 CE1 TYR A 29 36.682 49.896 57.477 1.00 40.68 C +ATOM 100 CE2 TYR A 29 34.312 50.086 57.224 1.00 38.28 C +ATOM 101 CZ TYR A 29 35.407 49.562 57.869 1.00 38.96 C +ATOM 102 OH TYR A 29 35.199 48.694 58.908 1.00 44.10 O +ATOM 103 N LEU A 30 34.967 52.869 51.164 1.00 40.51 N +ATOM 104 CA LEU A 30 34.800 53.887 50.120 1.00 39.07 C +ATOM 105 C LEU A 30 33.295 54.172 50.068 1.00 40.41 C +ATOM 106 O LEU A 30 32.534 53.320 50.529 1.00 39.58 O +ATOM 107 CB LEU A 30 35.317 53.436 48.783 1.00 37.56 C +ATOM 108 CG LEU A 30 36.830 53.203 48.658 1.00 40.11 C +ATOM 109 CD1 LEU A 30 37.145 52.571 47.307 1.00 38.72 C +ATOM 110 CD2 LEU A 30 37.567 54.534 48.822 1.00 43.54 C +ATOM 111 N SER A 31 32.866 55.299 49.527 1.00 40.29 N +ATOM 112 CA SER A 31 31.454 55.620 49.540 1.00 40.19 C +ATOM 113 C SER A 31 30.831 55.869 48.185 1.00 41.90 C +ATOM 114 O SER A 31 31.418 56.398 47.258 1.00 42.47 O +ATOM 115 CB SER A 31 31.213 56.889 50.396 1.00 43.79 C +ATOM 116 OG SER A 31 31.289 56.599 51.775 1.00 47.84 O +ATOM 117 N ILE A 32 29.554 55.529 48.114 1.00 41.34 N +ATOM 118 CA ILE A 32 28.716 55.715 46.969 1.00 43.56 C +ATOM 119 C ILE A 32 27.380 56.275 47.488 1.00 44.17 C +ATOM 120 O ILE A 32 26.647 55.593 48.191 1.00 42.60 O +ATOM 121 CB ILE A 32 28.473 54.448 46.142 1.00 43.22 C +ATOM 122 CG1 ILE A 32 29.761 53.964 45.477 1.00 44.56 C +ATOM 123 CG2 ILE A 32 27.400 54.719 45.092 1.00 45.58 C +ATOM 124 CD1 ILE A 32 29.630 52.661 44.717 1.00 45.28 C +ATOM 125 N GLY A 33 27.175 57.566 47.208 1.00 43.72 N +ATOM 126 CA GLY A 33 25.941 58.207 47.686 1.00 44.40 C +ATOM 127 C GLY A 33 26.098 58.461 49.181 1.00 44.98 C +ATOM 128 O GLY A 33 27.204 58.759 49.644 1.00 44.29 O +ATOM 129 N ASN A 34 25.057 58.211 49.957 1.00 47.11 N +ATOM 130 CA ASN A 34 25.104 58.441 51.394 1.00 51.08 C +ATOM 131 C ASN A 34 25.772 57.354 52.192 1.00 50.03 C +ATOM 132 O ASN A 34 25.687 57.343 53.435 1.00 51.75 O +ATOM 133 CB ASN A 34 23.636 58.592 51.896 1.00 58.30 C +ATOM 134 CG ASN A 34 22.694 57.553 51.343 1.00 64.14 C +ATOM 135 OD1 ASN A 34 23.064 56.646 50.588 1.00 69.65 O +ATOM 136 ND2 ASN A 34 21.413 57.664 51.719 1.00 67.38 N +ATOM 137 N GLN A 35 26.288 56.298 51.532 1.00 48.28 N +ATOM 138 CA GLN A 35 26.793 55.154 52.284 1.00 44.54 C +ATOM 139 C GLN A 35 28.072 54.518 51.805 1.00 42.00 C +ATOM 140 O GLN A 35 28.410 54.557 50.622 1.00 40.63 O +ATOM 141 CB GLN A 35 25.662 54.069 52.223 1.00 48.13 C +ATOM 142 CG GLN A 35 24.290 54.594 52.523 1.00 52.20 C +ATOM 143 CD GLN A 35 23.125 53.676 52.492 1.00 57.02 C +ATOM 144 OE1 GLN A 35 22.079 53.929 53.118 1.00 59.31 O +ATOM 145 NE2 GLN A 35 23.229 52.559 51.774 1.00 58.90 N +ATOM 146 N THR A 36 28.772 53.861 52.734 1.00 37.41 N +ATOM 147 CA THR A 36 29.999 53.162 52.448 1.00 34.94 C +ATOM 148 C THR A 36 29.612 51.853 51.690 1.00 33.89 C +ATOM 149 O THR A 36 28.449 51.485 51.689 1.00 31.24 O +ATOM 150 CB THR A 36 30.875 52.795 53.624 1.00 36.54 C +ATOM 151 OG1 THR A 36 30.254 51.834 54.493 1.00 31.74 O +ATOM 152 CG2 THR A 36 31.236 54.039 54.451 1.00 36.21 C +ATOM 153 N ILE A 37 30.610 51.305 51.033 1.00 32.88 N +ATOM 154 CA ILE A 37 30.347 50.075 50.238 1.00 28.92 C +ATOM 155 C ILE A 37 29.846 48.989 51.200 1.00 30.15 C +ATOM 156 O ILE A 37 28.819 48.376 50.908 1.00 30.44 O +ATOM 157 CB ILE A 37 31.580 49.647 49.475 1.00 29.50 C +ATOM 158 CG1 ILE A 37 31.981 50.727 48.451 1.00 31.17 C +ATOM 159 CG2 ILE A 37 31.308 48.313 48.746 1.00 30.72 C +ATOM 160 CD1 ILE A 37 31.063 50.858 47.264 1.00 32.08 C +ATOM 161 N LEU A 38 30.521 48.834 52.329 1.00 29.72 N +ATOM 162 CA LEU A 38 30.119 47.886 53.363 1.00 27.90 C +ATOM 163 C LEU A 38 28.642 48.050 53.688 1.00 28.20 C +ATOM 164 O LEU A 38 27.896 47.063 53.816 1.00 27.48 O +ATOM 165 CB LEU A 38 30.969 48.049 54.623 1.00 30.95 C +ATOM 166 CG LEU A 38 30.576 47.112 55.800 1.00 30.46 C +ATOM 167 CD1 LEU A 38 30.749 45.663 55.412 1.00 22.99 C +ATOM 168 CD2 LEU A 38 31.378 47.461 57.037 1.00 30.02 C +ATOM 169 N GLU A 39 28.155 49.289 53.874 1.00 28.38 N +ATOM 170 CA GLU A 39 26.725 49.468 54.195 1.00 27.68 C +ATOM 171 C GLU A 39 25.814 49.014 53.098 1.00 27.58 C +ATOM 172 O GLU A 39 24.706 48.516 53.283 1.00 27.83 O +ATOM 173 CB GLU A 39 26.447 50.965 54.525 1.00 32.94 C +ATOM 174 CG GLU A 39 27.153 51.448 55.788 1.00 33.26 C +ATOM 175 CD GLU A 39 27.178 52.979 55.886 1.00 37.51 C +ATOM 176 OE1 GLU A 39 28.137 53.623 55.415 1.00 33.33 O +ATOM 177 OE2 GLU A 39 26.206 53.538 56.443 1.00 41.17 O +ATOM 178 N HIS A 40 26.175 49.287 51.819 1.00 26.22 N +ATOM 179 CA HIS A 40 25.429 48.892 50.679 1.00 28.24 C +ATOM 180 C HIS A 40 25.347 47.326 50.665 1.00 24.65 C +ATOM 181 O HIS A 40 24.295 46.809 50.393 1.00 27.82 O +ATOM 182 CB HIS A 40 26.099 49.344 49.358 1.00 28.55 C +ATOM 183 CG HIS A 40 25.939 50.815 49.080 1.00 29.88 C +ATOM 184 ND1 HIS A 40 24.759 51.372 48.706 1.00 33.53 N +ATOM 185 CD2 HIS A 40 26.835 51.823 49.080 1.00 30.91 C +ATOM 186 CE1 HIS A 40 24.901 52.669 48.503 1.00 34.34 C +ATOM 187 NE2 HIS A 40 26.179 52.967 48.738 1.00 29.90 N +ATOM 188 N SER A 41 26.462 46.720 50.897 1.00 27.07 N +ATOM 189 CA SER A 41 26.566 45.236 50.903 1.00 25.76 C +ATOM 190 C SER A 41 25.724 44.658 52.029 1.00 26.72 C +ATOM 191 O SER A 41 24.880 43.809 51.822 1.00 27.35 O +ATOM 192 CB SER A 41 28.015 44.851 51.077 1.00 26.97 C +ATOM 193 OG SER A 41 28.172 43.464 51.344 1.00 34.42 O +ATOM 194 N VAL A 42 25.847 45.261 53.220 1.00 28.47 N +ATOM 195 CA VAL A 42 25.025 44.742 54.347 1.00 27.51 C +ATOM 196 C VAL A 42 23.546 44.915 54.106 1.00 28.30 C +ATOM 197 O VAL A 42 22.701 44.048 54.371 1.00 25.51 O +ATOM 198 CB VAL A 42 25.459 45.381 55.656 1.00 29.28 C +ATOM 199 CG1 VAL A 42 24.489 45.007 56.787 1.00 33.72 C +ATOM 200 CG2 VAL A 42 26.884 45.061 56.034 1.00 29.96 C +ATOM 201 N HIS A 43 23.126 46.097 53.662 1.00 29.02 N +ATOM 202 CA HIS A 43 21.716 46.362 53.407 1.00 30.86 C +ATOM 203 C HIS A 43 21.124 45.459 52.359 1.00 27.92 C +ATOM 204 O HIS A 43 19.963 45.091 52.418 1.00 27.71 O +ATOM 205 CB HIS A 43 21.531 47.853 53.020 1.00 37.84 C +ATOM 206 CG HIS A 43 21.560 48.722 54.243 1.00 43.72 C +ATOM 207 ND1 HIS A 43 22.410 49.790 54.391 1.00 46.93 N +ATOM 208 CD2 HIS A 43 20.841 48.635 55.399 1.00 42.69 C +ATOM 209 CE1 HIS A 43 22.214 50.334 55.581 1.00 48.92 C +ATOM 210 NE2 HIS A 43 21.269 49.650 56.204 1.00 47.14 N +ATOM 211 N ALA A 44 21.952 45.011 51.393 1.00 27.80 N +ATOM 212 CA ALA A 44 21.406 44.101 50.376 1.00 28.50 C +ATOM 213 C ALA A 44 21.083 42.766 51.016 1.00 25.74 C +ATOM 214 O ALA A 44 20.161 42.049 50.605 1.00 27.86 O +ATOM 215 CB ALA A 44 22.467 43.936 49.271 1.00 27.17 C +ATOM 216 N LEU A 45 21.906 42.365 51.984 1.00 24.10 N +ATOM 217 CA LEU A 45 21.679 41.071 52.654 1.00 22.81 C +ATOM 218 C LEU A 45 20.436 41.173 53.548 1.00 24.68 C +ATOM 219 O LEU A 45 19.571 40.294 53.543 1.00 25.64 O +ATOM 220 CB LEU A 45 22.906 40.744 53.539 1.00 22.89 C +ATOM 221 CG LEU A 45 24.232 40.466 52.829 1.00 25.94 C +ATOM 222 CD1 LEU A 45 25.411 40.363 53.800 1.00 22.96 C +ATOM 223 CD2 LEU A 45 24.154 39.175 52.012 1.00 25.03 C +ATOM 224 N LEU A 46 20.336 42.301 54.254 1.00 25.53 N +ATOM 225 CA LEU A 46 19.218 42.532 55.187 1.00 29.86 C +ATOM 226 C LEU A 46 17.880 42.734 54.494 1.00 32.45 C +ATOM 227 O LEU A 46 16.811 42.530 55.086 1.00 31.86 O +ATOM 228 CB LEU A 46 19.534 43.729 56.085 1.00 28.35 C +ATOM 229 CG LEU A 46 20.565 43.604 57.189 1.00 30.58 C +ATOM 230 CD1 LEU A 46 20.824 44.968 57.852 1.00 31.14 C +ATOM 231 CD2 LEU A 46 20.090 42.608 58.243 1.00 34.76 C +ATOM 232 N ALA A 47 17.899 43.009 53.188 1.00 34.42 N +ATOM 233 CA ALA A 47 16.704 43.175 52.386 1.00 35.14 C +ATOM 234 C ALA A 47 15.874 41.922 52.252 1.00 35.20 C +ATOM 235 O ALA A 47 14.643 41.969 52.052 1.00 37.04 O +ATOM 236 CB ALA A 47 17.041 43.761 51.025 1.00 37.55 C +ATOM 237 N HIS A 48 16.474 40.738 52.372 1.00 34.03 N +ATOM 238 CA HIS A 48 15.681 39.504 52.266 1.00 32.74 C +ATOM 239 C HIS A 48 15.187 39.139 53.667 1.00 35.25 C +ATOM 240 O HIS A 48 15.993 39.120 54.602 1.00 32.95 O +ATOM 241 CB HIS A 48 16.565 38.365 51.745 1.00 31.33 C +ATOM 242 CG HIS A 48 15.763 37.175 51.350 1.00 32.45 C +ATOM 243 ND1 HIS A 48 15.156 36.329 52.236 1.00 30.75 N +ATOM 244 CD2 HIS A 48 15.459 36.704 50.104 1.00 35.76 C +ATOM 245 CE1 HIS A 48 14.528 35.361 51.590 1.00 32.63 C +ATOM 246 NE2 HIS A 48 14.714 35.572 50.288 1.00 35.24 N +ATOM 247 N PRO A 49 13.923 38.784 53.797 1.00 35.51 N +ATOM 248 CA PRO A 49 13.320 38.482 55.074 1.00 34.76 C +ATOM 249 C PRO A 49 13.896 37.306 55.799 1.00 34.41 C +ATOM 250 O PRO A 49 13.807 37.260 57.040 1.00 33.71 O +ATOM 251 CB PRO A 49 11.841 38.291 54.780 1.00 37.16 C +ATOM 252 CG PRO A 49 11.730 38.137 53.321 1.00 36.82 C +ATOM 253 CD PRO A 49 12.930 38.765 52.693 1.00 38.02 C +ATOM 254 N ARG A 50 14.509 36.334 55.106 1.00 30.12 N +ATOM 255 CA ARG A 50 15.078 35.209 55.854 1.00 29.25 C +ATOM 256 C ARG A 50 16.384 35.636 56.516 1.00 25.95 C +ATOM 257 O ARG A 50 16.875 34.937 57.395 1.00 26.82 O +ATOM 258 CB ARG A 50 15.334 33.999 54.955 1.00 26.77 C +ATOM 259 CG ARG A 50 14.120 33.206 54.534 1.00 30.75 C +ATOM 260 CD ARG A 50 14.514 32.031 53.621 1.00 27.88 C +ATOM 261 NE ARG A 50 15.343 31.063 54.359 1.00 30.45 N +ATOM 262 CZ ARG A 50 15.978 30.061 53.735 1.00 29.36 C +ATOM 263 NH1 ARG A 50 16.722 29.218 54.449 1.00 26.33 N +ATOM 264 NH2 ARG A 50 15.845 29.883 52.422 1.00 30.86 N +ATOM 265 N VAL A 51 17.025 36.734 56.053 1.00 25.65 N +ATOM 266 CA VAL A 51 18.308 37.060 56.702 1.00 25.37 C +ATOM 267 C VAL A 51 18.054 37.975 57.882 1.00 25.62 C +ATOM 268 O VAL A 51 18.033 39.190 57.821 1.00 26.92 O +ATOM 269 CB VAL A 51 19.478 37.277 55.835 1.00 32.11 C +ATOM 270 CG1 VAL A 51 19.235 37.031 54.355 1.00 25.93 C +ATOM 271 CG2 VAL A 51 20.404 38.408 56.122 1.00 28.20 C +ATOM 272 N LYS A 52 17.900 37.300 59.036 1.00 25.74 N +ATOM 273 CA LYS A 52 17.513 38.027 60.260 1.00 26.48 C +ATOM 274 C LYS A 52 18.639 38.808 60.883 1.00 26.83 C +ATOM 275 O LYS A 52 18.452 39.831 61.571 1.00 26.09 O +ATOM 276 CB LYS A 52 16.968 36.995 61.237 1.00 28.86 C +ATOM 277 CG LYS A 52 15.868 36.106 60.658 1.00 32.00 C +ATOM 278 CD LYS A 52 14.566 36.856 60.488 1.00 38.78 C +ATOM 279 CE LYS A 52 13.435 35.915 60.043 1.00 37.45 C +ATOM 280 NZ LYS A 52 12.848 35.246 61.268 1.00 43.09 N +ATOM 281 N ARG A 53 19.861 38.289 60.715 1.00 25.14 N +ATOM 282 CA ARG A 53 21.010 38.957 61.341 1.00 21.90 C +ATOM 283 C ARG A 53 22.216 38.928 60.401 1.00 23.95 C +ATOM 284 O ARG A 53 22.337 38.016 59.589 1.00 24.11 O +ATOM 285 CB ARG A 53 21.424 38.092 62.573 1.00 22.11 C +ATOM 286 CG ARG A 53 20.332 37.889 63.593 1.00 22.73 C +ATOM 287 CD ARG A 53 20.801 37.000 64.789 1.00 26.41 C +ATOM 288 NE ARG A 53 22.064 37.620 65.314 1.00 24.05 N +ATOM 289 CZ ARG A 53 23.062 36.835 65.697 1.00 20.81 C +ATOM 290 NH1 ARG A 53 24.204 37.354 66.131 1.00 22.43 N +ATOM 291 NH2 ARG A 53 22.881 35.503 65.675 1.00 22.67 N +ATOM 292 N VAL A 54 23.061 39.925 60.593 1.00 22.84 N +ATOM 293 CA VAL A 54 24.317 39.986 59.850 1.00 23.78 C +ATOM 294 C VAL A 54 25.443 40.136 60.901 1.00 23.00 C +ATOM 295 O VAL A 54 25.371 41.027 61.745 1.00 25.61 O +ATOM 296 CB VAL A 54 24.394 41.156 58.880 1.00 25.85 C +ATOM 297 CG1 VAL A 54 25.804 41.197 58.265 1.00 24.88 C +ATOM 298 CG2 VAL A 54 23.370 41.040 57.759 1.00 25.49 C +ATOM 299 N VAL A 55 26.355 39.192 60.898 1.00 22.02 N +ATOM 300 CA VAL A 55 27.527 39.242 61.785 1.00 21.32 C +ATOM 301 C VAL A 55 28.688 39.845 60.980 1.00 25.02 C +ATOM 302 O VAL A 55 28.987 39.294 59.895 1.00 23.43 O +ATOM 303 CB VAL A 55 27.908 37.854 62.262 1.00 22.47 C +ATOM 304 CG1 VAL A 55 29.187 37.883 63.139 1.00 20.74 C +ATOM 305 CG2 VAL A 55 26.788 37.208 63.094 1.00 20.35 C +ATOM 306 N ILE A 56 29.282 40.922 61.422 1.00 22.60 N +ATOM 307 CA ILE A 56 30.400 41.532 60.691 1.00 25.01 C +ATOM 308 C ILE A 56 31.680 41.309 61.477 1.00 24.79 C +ATOM 309 O ILE A 56 31.716 41.560 62.700 1.00 26.00 O +ATOM 310 CB ILE A 56 30.185 43.034 60.454 1.00 22.45 C +ATOM 311 CG1 ILE A 56 28.843 43.255 59.736 1.00 21.25 C +ATOM 312 CG2 ILE A 56 31.328 43.624 59.641 1.00 23.53 C +ATOM 313 CD1 ILE A 56 28.373 44.664 59.600 1.00 25.02 C +ATOM 314 N ALA A 57 32.670 40.691 60.837 1.00 24.87 N +ATOM 315 CA ALA A 57 33.959 40.485 61.579 1.00 27.69 C +ATOM 316 C ALA A 57 34.796 41.734 61.367 1.00 31.23 C +ATOM 317 O ALA A 57 35.038 42.121 60.194 1.00 29.45 O +ATOM 318 CB ALA A 57 34.650 39.244 61.056 1.00 31.60 C +ATOM 319 N ILE A 58 35.214 42.377 62.447 1.00 29.37 N +ATOM 320 CA ILE A 58 35.972 43.630 62.354 1.00 35.32 C +ATOM 321 C ILE A 58 37.282 43.517 63.118 1.00 36.76 C +ATOM 322 O ILE A 58 37.396 42.776 64.098 1.00 36.78 O +ATOM 323 CB ILE A 58 35.112 44.751 62.980 1.00 33.86 C +ATOM 324 CG1 ILE A 58 33.930 45.103 62.062 1.00 32.10 C +ATOM 325 CG2 ILE A 58 35.902 45.983 63.333 1.00 35.74 C +ATOM 326 CD1 ILE A 58 34.309 45.509 60.657 1.00 32.50 C +ATOM 327 N SER A 59 38.328 44.169 62.613 1.00 41.28 N +ATOM 328 CA SER A 59 39.610 44.096 63.359 1.00 45.65 C +ATOM 329 C SER A 59 39.615 45.172 64.454 1.00 46.42 C +ATOM 330 O SER A 59 39.121 46.279 64.177 1.00 46.09 O +ATOM 331 CB SER A 59 40.768 44.293 62.399 1.00 51.23 C +ATOM 332 OG SER A 59 40.355 45.054 61.271 1.00 57.04 O +ATOM 333 N SER A 63 38.449 53.747 65.178 1.00 57.66 N +ATOM 334 CA SER A 63 38.424 52.916 63.976 1.00 56.69 C +ATOM 335 C SER A 63 37.224 53.263 63.094 1.00 55.37 C +ATOM 336 O SER A 63 36.149 53.586 63.601 1.00 55.52 O +ATOM 337 CB SER A 63 38.421 51.435 64.357 1.00 58.45 C +ATOM 338 OG SER A 63 38.770 50.609 63.272 1.00 59.78 O +ATOM 339 N ARG A 64 37.400 53.100 61.792 1.00 53.57 N +ATOM 340 CA ARG A 64 36.420 53.406 60.767 1.00 50.33 C +ATOM 341 C ARG A 64 35.056 52.793 60.999 1.00 48.56 C +ATOM 342 O ARG A 64 34.034 53.509 60.938 1.00 48.61 O +ATOM 343 CB AARG A 64 36.977 52.977 59.398 0.65 51.50 C +ATOM 344 CB BARG A 64 36.985 52.990 59.394 0.35 47.75 C +ATOM 345 CG AARG A 64 36.380 53.705 58.229 0.65 51.33 C +ATOM 346 CG BARG A 64 36.425 53.747 58.211 0.35 46.22 C +ATOM 347 CD AARG A 64 37.120 55.020 57.931 0.65 51.34 C +ATOM 348 CD BARG A 64 37.047 55.108 58.027 0.35 44.91 C +ATOM 349 NE AARG A 64 36.474 55.658 56.764 0.65 49.41 N +ATOM 350 NE BARG A 64 38.028 55.202 56.966 0.35 43.58 N +ATOM 351 CZ AARG A 64 35.223 56.112 56.824 0.65 50.14 C +ATOM 352 CZ BARG A 64 39.320 54.936 57.062 0.35 42.83 C +ATOM 353 NH1AARG A 64 34.658 56.673 55.764 0.65 52.22 N +ATOM 354 NH1BARG A 64 40.118 55.072 56.008 0.35 43.34 N +ATOM 355 NH2AARG A 64 34.523 56.028 57.948 0.65 49.19 N +ATOM 356 NH2BARG A 64 39.837 54.540 58.218 0.35 42.64 N +ATOM 357 N PHE A 65 34.950 51.509 61.327 1.00 48.22 N +ATOM 358 CA PHE A 65 33.670 50.866 61.546 1.00 44.45 C +ATOM 359 C PHE A 65 32.796 51.514 62.601 1.00 45.08 C +ATOM 360 O PHE A 65 31.562 51.600 62.477 1.00 44.20 O +ATOM 361 CB PHE A 65 33.862 49.375 61.924 1.00 42.26 C +ATOM 362 CG PHE A 65 32.506 48.705 62.020 1.00 41.40 C +ATOM 363 CD1 PHE A 65 31.930 48.463 63.257 1.00 40.92 C +ATOM 364 CD2 PHE A 65 31.803 48.370 60.879 1.00 36.95 C +ATOM 365 CE1 PHE A 65 30.679 47.870 63.330 1.00 40.53 C +ATOM 366 CE2 PHE A 65 30.562 47.789 60.943 1.00 37.79 C +ATOM 367 CZ PHE A 65 29.993 47.529 62.189 1.00 41.21 C +ATOM 368 N ALA A 66 33.402 51.917 63.705 1.00 46.43 N +ATOM 369 CA ALA A 66 32.683 52.542 64.798 1.00 46.39 C +ATOM 370 C ALA A 66 31.947 53.806 64.450 1.00 46.07 C +ATOM 371 O ALA A 66 30.883 54.070 65.044 1.00 47.11 O +ATOM 372 CB ALA A 66 33.625 52.753 65.981 1.00 47.78 C +ATOM 373 N GLN A 67 32.362 54.592 63.457 1.00 45.11 N +ATOM 374 CA GLN A 67 31.661 55.830 63.122 1.00 42.66 C +ATOM 375 C GLN A 67 30.407 55.597 62.313 1.00 41.33 C +ATOM 376 O GLN A 67 29.495 56.425 62.235 1.00 40.86 O +ATOM 377 CB GLN A 67 32.622 56.789 62.415 1.00 49.11 C +ATOM 378 CG GLN A 67 32.612 56.711 60.898 1.00 57.07 C +ATOM 379 CD GLN A 67 31.561 57.578 60.248 1.00 55.36 C +ATOM 380 OE1 GLN A 67 31.281 57.482 59.054 1.00 58.86 O +ATOM 381 NE2 GLN A 67 30.927 58.451 61.032 1.00 59.97 N +ATOM 382 N LEU A 68 30.303 54.418 61.692 1.00 38.03 N +ATOM 383 CA LEU A 68 29.165 54.068 60.866 1.00 34.81 C +ATOM 384 C LEU A 68 27.957 53.716 61.701 1.00 35.44 C +ATOM 385 O LEU A 68 28.119 53.213 62.817 1.00 35.64 O +ATOM 386 CB LEU A 68 29.589 52.763 60.098 1.00 35.45 C +ATOM 387 CG LEU A 68 30.442 52.942 58.863 1.00 39.16 C +ATOM 388 CD1 LEU A 68 31.737 53.678 59.100 1.00 39.58 C +ATOM 389 CD2 LEU A 68 30.738 51.546 58.234 1.00 29.74 C +ATOM 390 N PRO A 69 26.744 53.871 61.175 1.00 36.89 N +ATOM 391 CA PRO A 69 25.556 53.502 61.912 1.00 38.44 C +ATOM 392 C PRO A 69 25.332 51.999 61.991 1.00 39.85 C +ATOM 393 O PRO A 69 24.430 51.547 62.717 1.00 41.77 O +ATOM 394 CB PRO A 69 24.419 54.170 61.179 1.00 38.59 C +ATOM 395 CG PRO A 69 24.938 54.678 59.900 1.00 40.27 C +ATOM 396 CD PRO A 69 26.430 54.533 59.897 1.00 39.15 C +ATOM 397 N LEU A 70 26.123 51.187 61.288 1.00 40.27 N +ATOM 398 CA LEU A 70 25.984 49.738 61.317 1.00 39.77 C +ATOM 399 C LEU A 70 26.169 49.161 62.700 1.00 41.87 C +ATOM 400 O LEU A 70 25.499 48.207 63.112 1.00 41.16 O +ATOM 401 CB LEU A 70 27.029 49.118 60.364 1.00 40.94 C +ATOM 402 CG LEU A 70 26.566 48.593 59.017 1.00 40.79 C +ATOM 403 CD1 LEU A 70 25.239 49.115 58.560 1.00 38.43 C +ATOM 404 CD2 LEU A 70 27.662 48.791 57.974 1.00 41.77 C +ATOM 405 N ALA A 71 27.126 49.686 63.445 1.00 43.85 N +ATOM 406 CA ALA A 71 27.456 49.286 64.782 1.00 46.11 C +ATOM 407 C ALA A 71 26.266 49.216 65.729 1.00 46.25 C +ATOM 408 O ALA A 71 26.140 48.261 66.511 1.00 47.89 O +ATOM 409 CB ALA A 71 28.473 50.315 65.332 1.00 48.60 C +ATOM 410 N ASN A 72 25.347 50.161 65.630 1.00 44.89 N +ATOM 411 CA ASN A 72 24.189 50.199 66.520 1.00 43.59 C +ATOM 412 C ASN A 72 22.927 49.672 65.884 1.00 40.78 C +ATOM 413 O ASN A 72 21.841 49.842 66.450 1.00 42.52 O +ATOM 414 CB ASN A 72 23.990 51.669 66.964 1.00 48.53 C +ATOM 415 CG ASN A 72 23.792 51.817 68.451 1.00 51.18 C +ATOM 416 OD1 ASN A 72 23.366 50.900 69.162 1.00 48.06 O +ATOM 417 ND2 ASN A 72 24.123 53.003 68.980 1.00 54.95 N +ATOM 418 N HIS A 73 23.014 48.958 64.761 1.00 36.78 N +ATOM 419 CA HIS A 73 21.771 48.457 64.113 1.00 32.82 C +ATOM 420 C HIS A 73 21.284 47.263 64.905 1.00 31.94 C +ATOM 421 O HIS A 73 22.098 46.419 65.299 1.00 29.25 O +ATOM 422 CB HIS A 73 22.086 48.146 62.648 1.00 29.36 C +ATOM 423 CG HIS A 73 20.942 47.653 61.823 1.00 26.88 C +ATOM 424 ND1 HIS A 73 20.478 48.296 60.696 1.00 34.67 N +ATOM 425 CD2 HIS A 73 20.135 46.586 61.971 1.00 26.49 C +ATOM 426 CE1 HIS A 73 19.448 47.666 60.189 1.00 30.29 C +ATOM 427 NE2 HIS A 73 19.230 46.577 60.958 1.00 32.45 N +ATOM 428 N PRO A 74 19.983 47.077 65.076 1.00 30.99 N +ATOM 429 CA PRO A 74 19.453 45.970 65.849 1.00 31.29 C +ATOM 430 C PRO A 74 19.694 44.597 65.240 1.00 28.92 C +ATOM 431 O PRO A 74 19.656 43.591 65.952 1.00 26.68 O +ATOM 432 CB PRO A 74 17.966 46.271 65.964 1.00 32.85 C +ATOM 433 CG PRO A 74 17.667 47.256 64.905 1.00 33.77 C +ATOM 434 CD PRO A 74 18.928 48.049 64.685 1.00 33.62 C +ATOM 435 N GLN A 75 20.033 44.541 63.947 1.00 25.56 N +ATOM 436 CA GLN A 75 20.266 43.219 63.329 1.00 27.59 C +ATOM 437 C GLN A 75 21.726 42.933 63.112 1.00 25.36 C +ATOM 438 O GLN A 75 22.088 41.894 62.539 1.00 27.46 O +ATOM 439 CB GLN A 75 19.544 43.198 61.955 1.00 26.43 C +ATOM 440 CG GLN A 75 18.018 43.136 62.135 1.00 26.99 C +ATOM 441 CD GLN A 75 17.290 43.181 60.816 1.00 31.07 C +ATOM 442 OE1 GLN A 75 17.077 44.262 60.261 1.00 32.42 O +ATOM 443 NE2 GLN A 75 16.966 42.009 60.269 1.00 29.18 N +ATOM 444 N ILE A 76 22.594 43.860 63.531 1.00 24.81 N +ATOM 445 CA ILE A 76 24.018 43.662 63.279 1.00 25.04 C +ATOM 446 C ILE A 76 24.835 43.339 64.499 1.00 26.06 C +ATOM 447 O ILE A 76 24.966 44.162 65.420 1.00 26.18 O +ATOM 448 CB ILE A 76 24.582 44.903 62.537 1.00 29.23 C +ATOM 449 CG1 ILE A 76 23.958 44.882 61.114 1.00 33.10 C +ATOM 450 CG2 ILE A 76 26.083 44.880 62.486 1.00 29.01 C +ATOM 451 CD1 ILE A 76 24.283 46.092 60.281 1.00 41.03 C +ATOM 452 N THR A 77 25.551 42.228 64.426 1.00 21.78 N +ATOM 453 CA THR A 77 26.433 41.755 65.464 1.00 21.73 C +ATOM 454 C THR A 77 27.884 41.925 65.008 1.00 25.16 C +ATOM 455 O THR A 77 28.167 41.711 63.808 1.00 23.61 O +ATOM 456 CB THR A 77 26.160 40.260 65.765 1.00 21.67 C +ATOM 457 OG1 THR A 77 24.954 40.100 66.504 1.00 22.50 O +ATOM 458 CG2 THR A 77 27.297 39.604 66.526 1.00 21.10 C +ATOM 459 N VAL A 78 28.761 42.263 65.924 1.00 23.17 N +ATOM 460 CA VAL A 78 30.184 42.383 65.634 1.00 25.78 C +ATOM 461 C VAL A 78 30.966 41.288 66.366 1.00 26.99 C +ATOM 462 O VAL A 78 30.710 40.906 67.525 1.00 26.64 O +ATOM 463 CB VAL A 78 30.729 43.742 66.090 1.00 25.50 C +ATOM 464 CG1 VAL A 78 32.241 43.854 65.820 1.00 31.63 C +ATOM 465 CG2 VAL A 78 29.993 44.878 65.425 1.00 28.75 C +ATOM 466 N VAL A 79 31.952 40.715 65.674 1.00 26.09 N +ATOM 467 CA VAL A 79 32.840 39.726 66.237 1.00 26.49 C +ATOM 468 C VAL A 79 34.267 40.155 65.835 1.00 27.89 C +ATOM 469 O VAL A 79 34.371 41.015 64.970 1.00 25.15 O +ATOM 470 CB VAL A 79 32.625 38.272 65.792 1.00 28.14 C +ATOM 471 CG1 VAL A 79 31.243 37.789 66.197 1.00 24.90 C +ATOM 472 CG2 VAL A 79 32.855 38.157 64.287 1.00 22.79 C +ATOM 473 N ASP A 80 35.279 39.611 66.477 1.00 29.65 N +ATOM 474 CA ASP A 80 36.631 40.067 66.067 1.00 31.97 C +ATOM 475 C ASP A 80 37.047 39.321 64.796 1.00 33.66 C +ATOM 476 O ASP A 80 36.843 38.114 64.732 1.00 32.92 O +ATOM 477 CB ASP A 80 37.632 39.728 67.168 1.00 33.10 C +ATOM 478 CG ASP A 80 37.473 40.566 68.414 1.00 31.43 C +ATOM 479 OD1 ASP A 80 36.713 41.543 68.446 1.00 34.76 O +ATOM 480 OD2 ASP A 80 38.167 40.244 69.406 1.00 32.77 O +ATOM 481 N GLY A 81 37.706 40.020 63.887 1.00 35.85 N +ATOM 482 CA GLY A 81 38.201 39.362 62.663 1.00 39.84 C +ATOM 483 C GLY A 81 39.473 38.599 63.030 1.00 43.62 C +ATOM 484 O GLY A 81 40.054 38.883 64.080 1.00 43.88 O +ATOM 485 N GLY A 82 39.909 37.632 62.217 1.00 44.95 N +ATOM 486 CA GLY A 82 41.131 36.900 62.576 1.00 47.90 C +ATOM 487 C GLY A 82 42.234 37.079 61.534 1.00 49.12 C +ATOM 488 O GLY A 82 42.155 37.902 60.628 1.00 48.21 O +ATOM 489 N ASP A 83 43.282 36.256 61.677 1.00 49.15 N +ATOM 490 CA ASP A 83 44.418 36.309 60.767 1.00 50.02 C +ATOM 491 C ASP A 83 43.985 36.255 59.314 1.00 50.75 C +ATOM 492 O ASP A 83 44.452 37.088 58.522 1.00 51.23 O +ATOM 493 CB ASP A 83 45.438 35.226 61.104 1.00 50.90 C +ATOM 494 N GLU A 84 43.116 35.332 58.908 1.00 48.34 N +ATOM 495 CA GLU A 84 42.714 35.358 57.485 1.00 46.85 C +ATOM 496 C GLU A 84 41.205 35.350 57.358 1.00 45.32 C +ATOM 497 O GLU A 84 40.510 35.231 58.379 1.00 45.31 O +ATOM 498 CB GLU A 84 43.363 34.206 56.747 1.00 52.18 C +ATOM 499 CG GLU A 84 43.023 32.822 57.278 1.00 56.58 C +ATOM 500 CD GLU A 84 43.702 31.724 56.472 1.00 60.94 C +ATOM 501 OE1 GLU A 84 44.823 31.318 56.862 1.00 60.57 O +ATOM 502 OE2 GLU A 84 43.128 31.271 55.454 1.00 61.43 O +ATOM 503 N ARG A 85 40.685 35.486 56.143 1.00 42.50 N +ATOM 504 CA ARG A 85 39.247 35.448 55.913 1.00 39.41 C +ATOM 505 C ARG A 85 38.628 34.254 56.636 1.00 37.36 C +ATOM 506 O ARG A 85 37.637 34.403 57.346 1.00 34.16 O +ATOM 507 CB ARG A 85 38.922 35.366 54.416 1.00 39.80 C +ATOM 508 CG ARG A 85 37.435 35.333 54.109 1.00 40.28 C +ATOM 509 CD ARG A 85 37.087 34.671 52.791 1.00 39.27 C +ATOM 510 NE ARG A 85 35.676 34.781 52.443 1.00 39.66 N +ATOM 511 CZ ARG A 85 35.055 35.856 52.009 1.00 40.73 C +ATOM 512 NH1 ARG A 85 35.720 37.010 51.845 1.00 43.93 N +ATOM 513 NH2 ARG A 85 33.748 35.832 51.738 1.00 42.93 N +ATOM 514 N ALA A 86 39.190 33.054 56.467 1.00 35.82 N +ATOM 515 CA ALA A 86 38.667 31.863 57.099 1.00 36.89 C +ATOM 516 C ALA A 86 38.487 31.994 58.598 1.00 35.67 C +ATOM 517 O ALA A 86 37.436 31.612 59.130 1.00 34.53 O +ATOM 518 CB ALA A 86 39.529 30.632 56.796 1.00 40.12 C +ATOM 519 N ASP A 87 39.495 32.522 59.299 1.00 35.57 N +ATOM 520 CA ASP A 87 39.383 32.674 60.746 1.00 34.30 C +ATOM 521 C ASP A 87 38.214 33.594 61.086 1.00 31.58 C +ATOM 522 O ASP A 87 37.482 33.321 62.035 1.00 31.09 O +ATOM 523 CB ASP A 87 40.653 33.243 61.378 1.00 42.89 C +ATOM 524 CG ASP A 87 41.826 32.295 61.264 1.00 45.22 C +ATOM 525 OD1 ASP A 87 41.849 31.313 62.037 1.00 48.24 O +ATOM 526 OD2 ASP A 87 42.689 32.518 60.395 1.00 49.52 O +ATOM 527 N SER A 88 38.067 34.666 60.305 1.00 30.35 N +ATOM 528 CA SER A 88 36.990 35.614 60.518 1.00 28.06 C +ATOM 529 C SER A 88 35.624 34.953 60.375 1.00 26.84 C +ATOM 530 O SER A 88 34.664 35.251 61.105 1.00 22.79 O +ATOM 531 CB SER A 88 37.069 36.753 59.460 1.00 33.20 C +ATOM 532 OG SER A 88 38.046 37.684 59.840 1.00 39.02 O +ATOM 533 N VAL A 89 35.487 34.137 59.323 1.00 23.93 N +ATOM 534 CA VAL A 89 34.206 33.444 59.120 1.00 23.79 C +ATOM 535 C VAL A 89 33.882 32.542 60.278 1.00 23.63 C +ATOM 536 O VAL A 89 32.746 32.449 60.778 1.00 23.03 O +ATOM 537 CB VAL A 89 34.240 32.676 57.778 1.00 25.54 C +ATOM 538 CG1 VAL A 89 32.901 31.967 57.581 1.00 23.82 C +ATOM 539 CG2 VAL A 89 34.468 33.648 56.628 1.00 26.79 C +ATOM 540 N LEU A 90 34.857 31.768 60.779 1.00 23.72 N +ATOM 541 CA LEU A 90 34.573 30.896 61.936 1.00 24.56 C +ATOM 542 C LEU A 90 34.129 31.718 63.139 1.00 25.47 C +ATOM 543 O LEU A 90 33.290 31.267 63.927 1.00 25.04 O +ATOM 544 CB LEU A 90 35.834 30.094 62.279 1.00 28.73 C +ATOM 545 CG LEU A 90 36.150 28.932 61.354 1.00 30.96 C +ATOM 546 CD1 LEU A 90 37.494 28.315 61.696 1.00 28.66 C +ATOM 547 CD2 LEU A 90 35.044 27.878 61.448 1.00 28.16 C +ATOM 548 N ALA A 91 34.731 32.913 63.299 1.00 23.87 N +ATOM 549 CA ALA A 91 34.301 33.762 64.444 1.00 24.82 C +ATOM 550 C ALA A 91 32.870 34.192 64.254 1.00 22.37 C +ATOM 551 O ALA A 91 32.046 34.186 65.186 1.00 24.97 O +ATOM 552 CB ALA A 91 35.276 34.936 64.565 1.00 26.75 C +ATOM 553 N GLY A 92 32.482 34.481 63.015 1.00 22.60 N +ATOM 554 CA GLY A 92 31.111 34.837 62.660 1.00 23.98 C +ATOM 555 C GLY A 92 30.192 33.652 62.921 1.00 23.90 C +ATOM 556 O GLY A 92 29.063 33.820 63.405 1.00 23.49 O +ATOM 557 N LEU A 93 30.661 32.414 62.644 1.00 23.81 N +ATOM 558 CA LEU A 93 29.816 31.243 62.928 1.00 22.25 C +ATOM 559 C LEU A 93 29.573 31.082 64.428 1.00 23.12 C +ATOM 560 O LEU A 93 28.499 30.668 64.856 1.00 24.82 O +ATOM 561 CB LEU A 93 30.518 29.967 62.433 1.00 24.64 C +ATOM 562 CG LEU A 93 30.694 29.884 60.919 1.00 22.19 C +ATOM 563 CD1 LEU A 93 31.191 28.462 60.549 1.00 26.97 C +ATOM 564 CD2 LEU A 93 29.419 30.195 60.174 1.00 26.64 C +ATOM 565 N LYS A 94 30.531 31.466 65.243 1.00 21.18 N +ATOM 566 CA LYS A 94 30.365 31.371 66.696 1.00 21.64 C +ATOM 567 C LYS A 94 29.261 32.330 67.147 1.00 23.52 C +ATOM 568 O LYS A 94 28.738 32.162 68.269 1.00 24.26 O +ATOM 569 CB LYS A 94 31.645 31.712 67.440 1.00 27.21 C +ATOM 570 CG LYS A 94 32.624 30.541 67.495 1.00 32.58 C +ATOM 571 CD LYS A 94 33.947 30.998 68.098 1.00 36.17 C +ATOM 572 CE LYS A 94 34.871 29.791 68.290 1.00 42.38 C +ATOM 573 NZ LYS A 94 36.116 30.202 69.009 1.00 40.37 N +ATOM 574 N ALA A 95 28.942 33.329 66.349 1.00 21.86 N +ATOM 575 CA ALA A 95 27.910 34.284 66.694 1.00 23.27 C +ATOM 576 C ALA A 95 26.602 34.006 65.975 1.00 25.03 C +ATOM 577 O ALA A 95 25.644 34.770 66.172 1.00 24.90 O +ATOM 578 CB ALA A 95 28.340 35.712 66.311 1.00 22.29 C +ATOM 579 N ALA A 96 26.520 32.895 65.219 1.00 23.15 N +ATOM 580 CA ALA A 96 25.331 32.627 64.462 1.00 22.47 C +ATOM 581 C ALA A 96 24.134 32.094 65.178 1.00 24.55 C +ATOM 582 O ALA A 96 23.091 31.800 64.538 1.00 24.74 O +ATOM 583 CB ALA A 96 25.647 31.806 63.210 1.00 22.32 C +ATOM 584 N GLY A 97 24.174 31.887 66.498 1.00 24.38 N +ATOM 585 CA GLY A 97 22.944 31.415 67.152 1.00 26.16 C +ATOM 586 C GLY A 97 22.517 30.036 66.684 1.00 25.27 C +ATOM 587 O GLY A 97 23.339 29.142 66.447 1.00 26.01 O +ATOM 588 N ASP A 98 21.212 29.874 66.476 1.00 25.62 N +ATOM 589 CA ASP A 98 20.679 28.569 66.076 1.00 26.75 C +ATOM 590 C ASP A 98 20.509 28.462 64.564 1.00 28.19 C +ATOM 591 O ASP A 98 19.972 27.457 64.102 1.00 27.97 O +ATOM 592 CB AASP A 98 19.355 28.290 66.782 0.65 32.50 C +ATOM 593 CB BASP A 98 19.343 28.286 66.761 0.35 27.94 C +ATOM 594 CG AASP A 98 18.382 29.448 66.723 0.65 37.09 C +ATOM 595 CG BASP A 98 19.467 27.991 68.236 0.35 27.94 C +ATOM 596 OD1AASP A 98 18.528 30.353 65.867 0.65 42.60 O +ATOM 597 OD1BASP A 98 19.090 28.855 69.058 0.35 32.46 O +ATOM 598 OD2AASP A 98 17.440 29.473 67.548 0.65 41.23 O +ATOM 599 OD2BASP A 98 19.965 26.911 68.593 0.35 31.30 O +ATOM 600 N ALA A 99 21.034 29.464 63.842 1.00 24.61 N +ATOM 601 CA ALA A 99 20.951 29.441 62.396 1.00 26.67 C +ATOM 602 C ALA A 99 21.398 28.098 61.829 1.00 25.11 C +ATOM 603 O ALA A 99 22.565 27.712 61.922 1.00 26.53 O +ATOM 604 CB ALA A 99 21.818 30.552 61.792 1.00 26.58 C +ATOM 605 N GLN A 100 20.533 27.514 60.998 1.00 23.03 N +ATOM 606 CA GLN A 100 20.900 26.235 60.389 1.00 22.02 C +ATOM 607 C GLN A 100 21.682 26.435 59.087 1.00 22.91 C +ATOM 608 O GLN A 100 22.358 25.502 58.651 1.00 24.72 O +ATOM 609 CB GLN A 100 19.663 25.384 60.124 1.00 30.15 C +ATOM 610 CG GLN A 100 18.945 25.030 61.444 1.00 36.65 C +ATOM 611 CD GLN A 100 18.636 23.529 61.386 1.00 45.83 C +ATOM 612 OE1 GLN A 100 17.719 23.162 60.668 1.00 48.20 O +ATOM 613 NE2 GLN A 100 19.468 22.750 62.055 1.00 51.03 N +ATOM 614 N TRP A 101 21.489 27.581 58.460 1.00 21.97 N +ATOM 615 CA TRP A 101 22.175 27.897 57.187 1.00 23.51 C +ATOM 616 C TRP A 101 22.838 29.252 57.369 1.00 24.18 C +ATOM 617 O TRP A 101 22.304 30.129 58.073 1.00 23.01 O +ATOM 618 CB TRP A 101 21.158 27.947 56.040 1.00 20.73 C +ATOM 619 CG TRP A 101 20.854 26.583 55.491 1.00 22.81 C +ATOM 620 CD1 TRP A 101 20.007 25.655 56.036 1.00 28.93 C +ATOM 621 CD2 TRP A 101 21.342 26.022 54.276 1.00 23.23 C +ATOM 622 NE1 TRP A 101 19.985 24.518 55.254 1.00 26.48 N +ATOM 623 CE2 TRP A 101 20.790 24.728 54.156 1.00 29.75 C +ATOM 624 CE3 TRP A 101 22.211 26.468 53.274 1.00 25.68 C +ATOM 625 CZ2 TRP A 101 21.072 23.887 53.095 1.00 30.65 C +ATOM 626 CZ3 TRP A 101 22.516 25.609 52.229 1.00 27.13 C +ATOM 627 CH2 TRP A 101 21.928 24.344 52.123 1.00 26.54 C +ATOM 628 N VAL A 102 24.024 29.441 56.774 1.00 20.53 N +ATOM 629 CA VAL A 102 24.729 30.694 56.870 1.00 20.32 C +ATOM 630 C VAL A 102 25.075 31.249 55.471 1.00 21.61 C +ATOM 631 O VAL A 102 25.533 30.474 54.635 1.00 20.93 O +ATOM 632 CB VAL A 102 26.047 30.543 57.647 1.00 20.62 C +ATOM 633 CG1 VAL A 102 26.791 31.878 57.689 1.00 25.61 C +ATOM 634 CG2 VAL A 102 25.697 30.152 59.118 1.00 26.36 C +ATOM 635 N LEU A 103 24.928 32.531 55.328 1.00 21.39 N +ATOM 636 CA LEU A 103 25.267 33.260 54.093 1.00 24.76 C +ATOM 637 C LEU A 103 26.588 34.008 54.296 1.00 23.90 C +ATOM 638 O LEU A 103 26.556 34.991 55.060 1.00 28.06 O +ATOM 639 CB LEU A 103 24.183 34.307 53.877 1.00 26.90 C +ATOM 640 CG LEU A 103 23.128 34.380 52.864 1.00 34.74 C +ATOM 641 CD1 LEU A 103 22.588 35.827 52.721 1.00 29.16 C +ATOM 642 CD2 LEU A 103 23.472 33.849 51.476 1.00 24.33 C +ATOM 643 N VAL A 104 27.646 33.744 53.554 1.00 21.69 N +ATOM 644 CA VAL A 104 28.910 34.533 53.732 1.00 17.53 C +ATOM 645 C VAL A 104 29.063 35.451 52.530 1.00 19.38 C +ATOM 646 O VAL A 104 28.903 34.976 51.363 1.00 20.16 O +ATOM 647 CB VAL A 104 30.101 33.584 53.829 1.00 19.57 C +ATOM 648 CG1 VAL A 104 31.363 34.369 54.192 1.00 22.84 C +ATOM 649 CG2 VAL A 104 29.830 32.484 54.861 1.00 22.39 C +ATOM 650 N HIS A 105 29.254 36.743 52.758 1.00 20.50 N +ATOM 651 CA HIS A 105 29.300 37.697 51.627 1.00 20.91 C +ATOM 652 C HIS A 105 30.391 38.722 51.823 1.00 24.63 C +ATOM 653 O HIS A 105 30.677 39.200 52.918 1.00 24.22 O +ATOM 654 CB HIS A 105 27.902 38.374 51.545 1.00 21.40 C +ATOM 655 CG HIS A 105 27.780 39.398 50.469 1.00 23.75 C +ATOM 656 ND1 HIS A 105 27.881 39.063 49.123 1.00 20.51 N +ATOM 657 CD2 HIS A 105 27.592 40.740 50.520 1.00 21.81 C +ATOM 658 CE1 HIS A 105 27.758 40.150 48.392 1.00 26.10 C +ATOM 659 NE2 HIS A 105 27.559 41.175 49.198 1.00 24.91 N +ATOM 660 N ASP A 106 31.021 39.108 50.707 1.00 21.56 N +ATOM 661 CA ASP A 106 32.082 40.079 50.693 1.00 25.75 C +ATOM 662 C ASP A 106 31.574 41.474 51.123 1.00 23.88 C +ATOM 663 O ASP A 106 30.577 41.975 50.609 1.00 25.66 O +ATOM 664 CB ASP A 106 32.628 40.229 49.249 1.00 27.93 C +ATOM 665 CG ASP A 106 33.420 39.012 48.833 1.00 32.78 C +ATOM 666 OD1 ASP A 106 33.675 38.850 47.611 1.00 33.44 O +ATOM 667 OD2 ASP A 106 33.790 38.210 49.726 1.00 31.10 O +ATOM 668 N ALA A 107 32.397 42.112 51.928 1.00 26.43 N +ATOM 669 CA ALA A 107 32.075 43.469 52.402 1.00 28.12 C +ATOM 670 C ALA A 107 32.184 44.456 51.229 1.00 29.29 C +ATOM 671 O ALA A 107 31.581 45.517 51.281 1.00 26.71 O +ATOM 672 CB ALA A 107 33.088 43.885 53.454 1.00 27.91 C +ATOM 673 N ALA A 108 32.934 44.075 50.192 1.00 27.93 N +ATOM 674 CA ALA A 108 33.150 44.957 49.061 1.00 28.77 C +ATOM 675 C ALA A 108 32.347 44.624 47.833 1.00 29.53 C +ATOM 676 O ALA A 108 32.639 45.063 46.710 1.00 29.43 O +ATOM 677 CB ALA A 108 34.668 45.047 48.790 1.00 30.74 C +ATOM 678 N ARG A 109 31.174 43.999 48.039 1.00 26.43 N +ATOM 679 CA ARG A 109 30.267 43.699 46.910 1.00 24.83 C +ATOM 680 C ARG A 109 28.950 44.405 47.244 1.00 26.57 C +ATOM 681 O ARG A 109 28.085 43.790 47.840 1.00 28.75 O +ATOM 682 CB ARG A 109 30.035 42.201 46.779 1.00 24.52 C +ATOM 683 CG ARG A 109 31.190 41.436 46.104 1.00 27.71 C +ATOM 684 CD ARG A 109 30.771 39.949 45.866 1.00 29.48 C +ATOM 685 NE ARG A 109 31.982 39.269 45.309 1.00 28.24 N +ATOM 686 CZ ARG A 109 32.279 39.227 44.025 1.00 29.66 C +ATOM 687 NH1 ARG A 109 31.508 39.766 43.102 1.00 30.23 N +ATOM 688 NH2 ARG A 109 33.408 38.661 43.606 1.00 25.61 N +ATOM 689 N PRO A 110 28.793 45.660 46.816 1.00 25.98 N +ATOM 690 CA PRO A 110 27.603 46.433 47.085 1.00 27.72 C +ATOM 691 C PRO A 110 26.413 46.209 46.246 1.00 28.45 C +ATOM 692 O PRO A 110 25.293 46.665 46.552 1.00 29.75 O +ATOM 693 CB PRO A 110 28.138 47.899 46.870 1.00 26.65 C +ATOM 694 CG PRO A 110 29.068 47.705 45.689 1.00 26.24 C +ATOM 695 CD PRO A 110 29.799 46.392 46.015 1.00 25.99 C +ATOM 696 N CYS A 111 26.572 45.527 45.091 1.00 27.82 N +ATOM 697 CA CYS A 111 25.533 45.324 44.148 1.00 27.58 C +ATOM 698 C CYS A 111 25.051 43.874 44.139 1.00 31.74 C +ATOM 699 O CYS A 111 25.737 42.984 43.573 1.00 34.08 O +ATOM 700 CB CYS A 111 25.997 45.662 42.694 1.00 29.83 C +ATOM 701 SG ACYS A 111 26.887 47.227 42.551 0.65 32.01 S +ATOM 702 SG BCYS A 111 24.573 45.688 41.579 0.35 23.10 S +ATOM 703 N LEU A 112 23.994 43.614 44.835 1.00 30.59 N +ATOM 704 CA LEU A 112 23.414 42.264 44.909 1.00 29.51 C +ATOM 705 C LEU A 112 21.924 42.467 44.619 1.00 31.97 C +ATOM 706 O LEU A 112 21.368 43.364 45.302 1.00 33.47 O +ATOM 707 CB LEU A 112 23.602 41.731 46.336 1.00 26.53 C +ATOM 708 CG LEU A 112 23.314 40.298 46.652 1.00 31.65 C +ATOM 709 CD1 LEU A 112 23.534 39.968 48.137 1.00 23.57 C +ATOM 710 CD2 LEU A 112 21.923 39.852 46.250 1.00 38.95 C +ATOM 711 N HIS A 113 21.338 41.729 43.720 1.00 30.78 N +ATOM 712 CA HIS A 113 19.895 41.867 43.453 1.00 33.82 C +ATOM 713 C HIS A 113 19.109 40.861 44.291 1.00 33.33 C +ATOM 714 O HIS A 113 19.556 39.727 44.492 1.00 31.84 O +ATOM 715 CB HIS A 113 19.596 41.609 41.994 1.00 35.99 C +ATOM 716 CG HIS A 113 20.083 42.615 41.014 1.00 40.10 C +ATOM 717 ND1 HIS A 113 19.233 43.120 40.030 1.00 43.33 N +ATOM 718 CD2 HIS A 113 21.283 43.181 40.806 1.00 41.86 C +ATOM 719 CE1 HIS A 113 19.915 43.953 39.267 1.00 44.18 C +ATOM 720 NE2 HIS A 113 21.152 44.026 39.722 1.00 44.23 N +ATOM 721 N GLN A 114 17.894 41.231 44.716 1.00 30.19 N +ATOM 722 CA GLN A 114 17.112 40.324 45.529 1.00 32.53 C +ATOM 723 C GLN A 114 16.710 39.060 44.837 1.00 29.96 C +ATOM 724 O GLN A 114 16.685 38.006 45.470 1.00 31.61 O +ATOM 725 CB GLN A 114 15.879 41.041 46.134 1.00 33.68 C +ATOM 726 CG GLN A 114 16.293 42.162 47.078 1.00 38.68 C +ATOM 727 CD GLN A 114 17.195 41.647 48.195 1.00 35.56 C +ATOM 728 OE1 GLN A 114 16.765 40.769 48.941 1.00 39.49 O +ATOM 729 NE2 GLN A 114 18.398 42.208 48.300 1.00 31.94 N +ATOM 730 N ASP A 115 16.413 39.086 43.530 1.00 30.78 N +ATOM 731 CA ASP A 115 16.042 37.867 42.852 1.00 29.91 C +ATOM 732 C ASP A 115 17.220 36.869 42.842 1.00 27.64 C +ATOM 733 O ASP A 115 16.958 35.693 43.047 1.00 28.56 O +ATOM 734 CB ASP A 115 15.473 38.070 41.470 1.00 33.76 C +ATOM 735 CG ASP A 115 16.394 38.817 40.536 1.00 38.18 C +ATOM 736 OD1 ASP A 115 17.495 39.240 40.963 1.00 35.10 O +ATOM 737 OD2 ASP A 115 15.989 38.996 39.358 1.00 43.48 O +ATOM 738 N ASP A 116 18.441 37.341 42.656 1.00 28.88 N +ATOM 739 CA ASP A 116 19.588 36.406 42.689 1.00 30.41 C +ATOM 740 C ASP A 116 19.772 35.919 44.126 1.00 30.06 C +ATOM 741 O ASP A 116 19.991 34.733 44.382 1.00 29.87 O +ATOM 742 CB ASP A 116 20.849 37.074 42.180 1.00 28.03 C +ATOM 743 CG ASP A 116 20.815 37.378 40.683 1.00 29.03 C +ATOM 744 OD1 ASP A 116 20.128 36.674 39.943 1.00 30.96 O +ATOM 745 OD2 ASP A 116 21.502 38.329 40.274 1.00 33.03 O +ATOM 746 N LEU A 117 19.665 36.834 45.106 1.00 28.54 N +ATOM 747 CA LEU A 117 19.789 36.339 46.503 1.00 29.01 C +ATOM 748 C LEU A 117 18.721 35.301 46.799 1.00 29.27 C +ATOM 749 O LEU A 117 18.994 34.238 47.375 1.00 28.99 O +ATOM 750 CB LEU A 117 19.717 37.532 47.472 1.00 28.95 C +ATOM 751 CG LEU A 117 19.721 37.218 48.954 1.00 28.48 C +ATOM 752 CD1 LEU A 117 20.977 36.382 49.328 1.00 29.57 C +ATOM 753 CD2 LEU A 117 19.749 38.500 49.803 1.00 26.56 C +ATOM 754 N ALA A 118 17.452 35.533 46.390 1.00 29.10 N +ATOM 755 CA ALA A 118 16.377 34.602 46.650 1.00 29.20 C +ATOM 756 C ALA A 118 16.654 33.233 46.030 1.00 30.33 C +ATOM 757 O ALA A 118 16.377 32.197 46.649 1.00 28.31 O +ATOM 758 CB ALA A 118 15.028 35.121 46.138 1.00 31.74 C +ATOM 759 N ARG A 119 17.181 33.243 44.801 1.00 28.44 N +ATOM 760 CA ARG A 119 17.499 31.995 44.130 1.00 27.14 C +ATOM 761 C ARG A 119 18.578 31.209 44.856 1.00 26.66 C +ATOM 762 O ARG A 119 18.496 29.989 44.956 1.00 25.38 O +ATOM 763 CB ARG A 119 17.839 32.244 42.645 1.00 28.29 C +ATOM 764 CG ARG A 119 16.634 31.877 41.797 1.00 37.93 C +ATOM 765 CD ARG A 119 16.467 32.597 40.497 1.00 42.52 C +ATOM 766 NE ARG A 119 17.513 33.495 40.130 1.00 40.25 N +ATOM 767 CZ ARG A 119 18.727 33.288 39.704 1.00 39.82 C +ATOM 768 NH1 ARG A 119 19.523 34.338 39.462 1.00 34.87 N +ATOM 769 NH2 ARG A 119 19.170 32.049 39.505 1.00 44.87 N +ATOM 770 N LEU A 120 19.565 31.875 45.408 1.00 24.78 N +ATOM 771 CA LEU A 120 20.610 31.195 46.188 1.00 23.39 C +ATOM 772 C LEU A 120 20.024 30.615 47.458 1.00 24.51 C +ATOM 773 O LEU A 120 20.234 29.443 47.820 1.00 21.71 O +ATOM 774 CB LEU A 120 21.718 32.192 46.504 1.00 23.34 C +ATOM 775 CG LEU A 120 22.864 31.627 47.389 1.00 22.41 C +ATOM 776 CD1 LEU A 120 23.628 30.572 46.581 1.00 24.74 C +ATOM 777 CD2 LEU A 120 23.785 32.726 47.841 1.00 23.09 C +ATOM 778 N LEU A 121 19.198 31.430 48.149 1.00 23.28 N +ATOM 779 CA LEU A 121 18.603 30.977 49.399 1.00 24.52 C +ATOM 780 C LEU A 121 17.707 29.767 49.226 1.00 26.29 C +ATOM 781 O LEU A 121 17.547 28.938 50.132 1.00 24.53 O +ATOM 782 CB LEU A 121 17.846 32.131 50.054 1.00 24.56 C +ATOM 783 CG LEU A 121 18.695 33.277 50.598 1.00 26.78 C +ATOM 784 CD1 LEU A 121 17.762 34.357 51.167 1.00 26.72 C +ATOM 785 CD2 LEU A 121 19.651 32.813 51.685 1.00 28.52 C +ATOM 786 N ALA A 122 17.128 29.608 48.044 1.00 25.12 N +ATOM 787 CA ALA A 122 16.278 28.469 47.727 1.00 27.69 C +ATOM 788 C ALA A 122 17.000 27.138 47.831 1.00 27.63 C +ATOM 789 O ALA A 122 16.393 26.094 48.097 1.00 29.99 O +ATOM 790 CB ALA A 122 15.701 28.651 46.317 1.00 25.47 C +ATOM 791 N LEU A 123 18.352 27.137 47.808 1.00 26.83 N +ATOM 792 CA LEU A 123 19.105 25.921 47.938 1.00 24.45 C +ATOM 793 C LEU A 123 18.837 25.155 49.219 1.00 25.50 C +ATOM 794 O LEU A 123 19.110 23.957 49.249 1.00 23.84 O +ATOM 795 CB LEU A 123 20.632 26.139 47.842 1.00 25.42 C +ATOM 796 CG LEU A 123 21.117 26.554 46.438 1.00 26.30 C +ATOM 797 CD1 LEU A 123 22.646 26.697 46.433 1.00 25.65 C +ATOM 798 CD2 LEU A 123 20.676 25.533 45.397 1.00 33.97 C +ATOM 799 N SER A 124 18.421 25.820 50.294 1.00 25.92 N +ATOM 800 CA SER A 124 18.215 25.160 51.559 1.00 28.40 C +ATOM 801 C SER A 124 17.098 24.132 51.511 1.00 30.18 C +ATOM 802 O SER A 124 17.097 23.202 52.326 1.00 29.68 O +ATOM 803 CB SER A 124 18.054 26.111 52.735 1.00 30.67 C +ATOM 804 OG SER A 124 16.939 26.950 52.644 1.00 31.44 O +ATOM 805 N GLU A 125 16.222 24.274 50.537 1.00 30.94 N +ATOM 806 CA GLU A 125 15.099 23.417 50.295 1.00 33.92 C +ATOM 807 C GLU A 125 15.477 22.147 49.561 1.00 34.04 C +ATOM 808 O GLU A 125 14.806 21.129 49.730 1.00 31.39 O +ATOM 809 CB GLU A 125 14.025 24.138 49.435 1.00 36.96 C +ATOM 810 CG GLU A 125 13.503 25.428 50.045 1.00 45.60 C +ATOM 811 CD GLU A 125 13.258 25.339 51.536 1.00 51.79 C +ATOM 812 OE1 GLU A 125 12.361 24.569 51.946 1.00 56.78 O +ATOM 813 OE2 GLU A 125 13.979 26.005 52.315 1.00 54.15 O +ATOM 814 N THR A 126 16.586 22.174 48.810 1.00 32.50 N +ATOM 815 CA THR A 126 16.970 21.025 48.023 1.00 32.59 C +ATOM 816 C THR A 126 18.394 20.537 48.191 1.00 32.30 C +ATOM 817 O THR A 126 18.711 19.493 47.580 1.00 33.17 O +ATOM 818 CB THR A 126 16.896 21.424 46.492 1.00 35.78 C +ATOM 819 OG1 THR A 126 17.738 22.585 46.329 1.00 35.64 O +ATOM 820 CG2 THR A 126 15.487 21.762 46.073 1.00 39.86 C +ATOM 821 N SER A 127 19.285 21.267 48.827 1.00 29.05 N +ATOM 822 CA SER A 127 20.687 20.844 48.872 1.00 27.94 C +ATOM 823 C SER A 127 21.194 20.480 50.234 1.00 28.29 C +ATOM 824 O SER A 127 20.795 21.057 51.264 1.00 27.46 O +ATOM 825 CB SER A 127 21.549 22.066 48.386 1.00 27.13 C +ATOM 826 OG SER A 127 22.921 21.709 48.398 1.00 28.15 O +ATOM 827 N ARG A 128 22.171 19.556 50.260 1.00 26.49 N +ATOM 828 CA ARG A 128 22.796 19.241 51.545 1.00 28.37 C +ATOM 829 C ARG A 128 24.167 19.930 51.621 1.00 27.58 C +ATOM 830 O ARG A 128 24.846 19.771 52.619 1.00 27.35 O +ATOM 831 CB ARG A 128 23.035 17.746 51.721 1.00 30.68 C +ATOM 832 CG ARG A 128 21.817 16.921 52.048 1.00 33.73 C +ATOM 833 CD ARG A 128 22.299 15.524 52.520 1.00 39.64 C +ATOM 834 NE ARG A 128 21.171 14.689 52.911 1.00 44.15 N +ATOM 835 CZ ARG A 128 20.438 14.841 54.005 1.00 41.01 C +ATOM 836 NH1 ARG A 128 19.434 13.994 54.237 1.00 38.78 N +ATOM 837 NH2 ARG A 128 20.707 15.798 54.875 1.00 41.14 N +ATOM 838 N THR A 129 24.602 20.507 50.482 1.00 25.41 N +ATOM 839 CA THR A 129 25.939 21.117 50.466 1.00 23.74 C +ATOM 840 C THR A 129 25.905 22.626 50.396 1.00 23.59 C +ATOM 841 O THR A 129 26.863 23.282 50.867 1.00 25.67 O +ATOM 842 CB THR A 129 26.692 20.559 49.207 1.00 28.80 C +ATOM 843 OG1 THR A 129 26.695 19.124 49.306 1.00 31.86 O +ATOM 844 CG2 THR A 129 28.142 21.004 49.176 1.00 29.22 C +ATOM 845 N GLY A 130 24.916 23.230 49.785 1.00 21.39 N +ATOM 846 CA GLY A 130 24.887 24.689 49.646 1.00 18.52 C +ATOM 847 C GLY A 130 25.428 25.013 48.228 1.00 21.30 C +ATOM 848 O GLY A 130 25.461 24.148 47.357 1.00 19.71 O +ATOM 849 N GLY A 131 25.791 26.281 48.054 1.00 19.37 N +ATOM 850 CA GLY A 131 26.232 26.748 46.744 1.00 20.41 C +ATOM 851 C GLY A 131 26.584 28.240 46.792 1.00 20.20 C +ATOM 852 O GLY A 131 26.577 28.889 47.847 1.00 19.39 O +ATOM 853 N ILE A 132 27.003 28.742 45.628 1.00 18.89 N +ATOM 854 CA ILE A 132 27.427 30.114 45.465 1.00 18.62 C +ATOM 855 C ILE A 132 26.801 30.764 44.222 1.00 19.94 C +ATOM 856 O ILE A 132 26.436 30.058 43.288 1.00 19.68 O +ATOM 857 CB ILE A 132 28.976 30.207 45.297 1.00 21.01 C +ATOM 858 CG1 ILE A 132 29.414 29.684 43.912 1.00 19.81 C +ATOM 859 CG2 ILE A 132 29.686 29.419 46.404 1.00 19.03 C +ATOM 860 CD1 ILE A 132 30.891 30.049 43.642 1.00 18.82 C +ATOM 861 N LEU A 133 26.666 32.091 44.298 1.00 19.39 N +ATOM 862 CA LEU A 133 26.281 32.855 43.085 1.00 18.50 C +ATOM 863 C LEU A 133 27.534 32.839 42.166 1.00 20.36 C +ATOM 864 O LEU A 133 28.657 32.811 42.634 1.00 18.49 O +ATOM 865 CB LEU A 133 25.941 34.276 43.491 1.00 21.81 C +ATOM 866 CG LEU A 133 24.546 34.795 43.456 1.00 26.85 C +ATOM 867 CD1 LEU A 133 23.428 33.793 43.307 1.00 24.94 C +ATOM 868 CD2 LEU A 133 24.240 35.919 44.398 1.00 25.95 C +ATOM 869 N ALA A 134 27.308 32.722 40.870 1.00 20.33 N +ATOM 870 CA ALA A 134 28.437 32.674 39.913 1.00 21.69 C +ATOM 871 C ALA A 134 27.956 33.180 38.547 1.00 21.97 C +ATOM 872 O ALA A 134 26.761 33.171 38.289 1.00 20.99 O +ATOM 873 CB ALA A 134 28.867 31.212 39.756 1.00 22.49 C +ATOM 874 N ALA A 135 28.916 33.562 37.692 1.00 21.15 N +ATOM 875 CA ALA A 135 28.490 34.026 36.341 1.00 20.64 C +ATOM 876 C ALA A 135 29.364 33.271 35.345 1.00 24.90 C +ATOM 877 O ALA A 135 30.570 33.107 35.550 1.00 22.53 O +ATOM 878 CB ALA A 135 28.760 35.534 36.247 1.00 20.62 C +ATOM 879 N PRO A 136 28.778 32.733 34.297 1.00 27.06 N +ATOM 880 CA PRO A 136 29.539 31.970 33.315 1.00 27.60 C +ATOM 881 C PRO A 136 30.588 32.797 32.600 1.00 26.27 C +ATOM 882 O PRO A 136 30.468 33.986 32.381 1.00 25.21 O +ATOM 883 CB PRO A 136 28.488 31.481 32.309 1.00 30.30 C +ATOM 884 CG PRO A 136 27.184 31.614 33.034 1.00 32.33 C +ATOM 885 CD PRO A 136 27.345 32.863 33.920 1.00 29.88 C +ATOM 886 N VAL A 137 31.683 32.109 32.209 1.00 24.53 N +ATOM 887 CA VAL A 137 32.768 32.720 31.487 1.00 25.24 C +ATOM 888 C VAL A 137 32.412 32.631 29.981 1.00 27.88 C +ATOM 889 O VAL A 137 32.103 31.531 29.528 1.00 27.57 O +ATOM 890 CB VAL A 137 34.125 32.039 31.680 1.00 26.43 C +ATOM 891 CG1 VAL A 137 35.168 32.602 30.705 1.00 22.95 C +ATOM 892 CG2 VAL A 137 34.632 32.258 33.118 1.00 22.49 C +ATOM 893 N ARG A 138 32.425 33.785 29.345 1.00 27.88 N +ATOM 894 CA ARG A 138 32.051 33.797 27.914 1.00 28.77 C +ATOM 895 C ARG A 138 33.188 34.018 26.978 1.00 27.78 C +ATOM 896 O ARG A 138 33.048 33.736 25.763 1.00 28.48 O +ATOM 897 CB ARG A 138 30.893 34.793 27.709 1.00 37.49 C +ATOM 898 CG ARG A 138 29.626 34.181 28.327 1.00 45.57 C +ATOM 899 CD ARG A 138 28.459 35.141 28.412 1.00 54.68 C +ATOM 900 NE ARG A 138 27.393 34.563 29.220 1.00 61.56 N +ATOM 901 CZ ARG A 138 26.218 35.058 29.512 1.00 66.57 C +ATOM 902 NH1 ARG A 138 25.835 36.249 29.054 1.00 70.60 N +ATOM 903 NH2 ARG A 138 25.382 34.372 30.301 1.00 67.47 N +ATOM 904 N ASP A 139 34.281 34.579 27.419 1.00 25.49 N +ATOM 905 CA ASP A 139 35.444 34.759 26.560 1.00 24.82 C +ATOM 906 C ASP A 139 36.198 33.444 26.364 1.00 26.26 C +ATOM 907 O ASP A 139 36.140 32.506 27.156 1.00 23.27 O +ATOM 908 CB ASP A 139 36.425 35.720 27.293 1.00 22.27 C +ATOM 909 CG ASP A 139 35.922 37.163 27.266 1.00 22.20 C +ATOM 910 OD1 ASP A 139 36.346 37.942 28.109 1.00 23.65 O +ATOM 911 OD2 ASP A 139 35.116 37.531 26.373 1.00 23.33 O +ATOM 912 N THR A 140 36.912 33.373 25.226 1.00 21.46 N +ATOM 913 CA THR A 140 37.843 32.236 25.061 1.00 21.10 C +ATOM 914 C THR A 140 39.002 32.580 26.022 1.00 20.66 C +ATOM 915 O THR A 140 39.253 33.785 26.209 1.00 20.34 O +ATOM 916 CB THR A 140 38.368 32.276 23.586 1.00 24.12 C +ATOM 917 OG1 THR A 140 37.242 31.882 22.773 1.00 21.86 O +ATOM 918 CG2 THR A 140 39.544 31.371 23.389 1.00 22.80 C +ATOM 919 N MET A 141 39.495 31.605 26.757 1.00 19.23 N +ATOM 920 CA MET A 141 40.533 31.798 27.752 1.00 22.51 C +ATOM 921 C MET A 141 41.867 31.210 27.332 1.00 20.47 C +ATOM 922 O MET A 141 41.942 30.213 26.620 1.00 21.87 O +ATOM 923 CB MET A 141 40.098 31.151 29.088 1.00 21.40 C +ATOM 924 CG MET A 141 38.781 31.719 29.631 1.00 23.93 C +ATOM 925 SD MET A 141 38.742 33.451 29.981 1.00 21.38 S +ATOM 926 CE MET A 141 39.811 33.581 31.425 1.00 24.50 C +ATOM 927 N LYS A 142 42.949 31.861 27.768 1.00 22.00 N +ATOM 928 CA LYS A 142 44.277 31.399 27.422 1.00 21.45 C +ATOM 929 C LYS A 142 45.167 31.222 28.674 1.00 23.39 C +ATOM 930 O LYS A 142 45.098 32.026 29.598 1.00 21.82 O +ATOM 931 CB LYS A 142 44.990 32.463 26.556 1.00 19.95 C +ATOM 932 CG LYS A 142 44.218 32.810 25.291 1.00 19.42 C +ATOM 933 CD LYS A 142 44.021 31.672 24.312 1.00 20.14 C +ATOM 934 CE LYS A 142 43.264 32.251 23.056 1.00 21.36 C +ATOM 935 NZ LYS A 142 43.156 31.184 21.998 1.00 17.56 N +ATOM 936 N ARG A 143 45.998 30.197 28.623 1.00 22.17 N +ATOM 937 CA ARG A 143 47.017 30.015 29.678 1.00 24.92 C +ATOM 938 C ARG A 143 48.366 30.464 29.082 1.00 23.36 C +ATOM 939 O ARG A 143 48.749 29.997 27.995 1.00 27.00 O +ATOM 940 CB ARG A 143 47.134 28.543 30.067 1.00 25.63 C +ATOM 941 CG ARG A 143 48.245 28.323 31.119 1.00 27.95 C +ATOM 942 CD ARG A 143 47.725 28.707 32.491 1.00 28.05 C +ATOM 943 NE ARG A 143 46.539 27.868 32.873 1.00 26.06 N +ATOM 944 CZ ARG A 143 45.845 28.195 33.969 1.00 23.76 C +ATOM 945 NH1 ARG A 143 44.773 27.477 34.320 1.00 26.65 N +ATOM 946 NH2 ARG A 143 46.188 29.217 34.744 1.00 25.60 N +ATOM 947 N ALA A 144 49.068 31.363 29.742 1.00 26.56 N +ATOM 948 CA ALA A 144 50.337 31.864 29.248 1.00 25.84 C +ATOM 949 C ALA A 144 51.485 30.888 29.494 1.00 30.25 C +ATOM 950 O ALA A 144 51.366 30.016 30.371 1.00 28.19 O +ATOM 951 CB ALA A 144 50.668 33.175 29.981 1.00 30.90 C +ATOM 952 N GLU A 145 52.544 31.054 28.710 1.00 29.48 N +ATOM 953 CA GLU A 145 53.747 30.201 28.989 1.00 33.43 C +ATOM 954 C GLU A 145 54.334 30.788 30.269 1.00 31.27 C +ATOM 955 O GLU A 145 54.262 31.972 30.518 1.00 31.45 O +ATOM 956 CB GLU A 145 54.708 30.339 27.814 1.00 36.65 C +ATOM 957 CG GLU A 145 54.223 29.748 26.504 1.00 39.47 C +ATOM 958 CD GLU A 145 55.145 29.969 25.321 1.00 44.00 C +ATOM 959 OE1 GLU A 145 55.943 30.935 25.293 1.00 44.70 O +ATOM 960 OE2 GLU A 145 55.066 29.191 24.338 1.00 44.41 O +ATOM 961 N PRO A 146 54.865 29.956 31.168 1.00 35.07 N +ATOM 962 CA PRO A 146 55.415 30.430 32.419 1.00 34.62 C +ATOM 963 C PRO A 146 56.447 31.528 32.244 1.00 35.24 C +ATOM 964 O PRO A 146 57.401 31.339 31.470 1.00 38.18 O +ATOM 965 CB PRO A 146 56.068 29.168 33.000 1.00 36.64 C +ATOM 966 CG PRO A 146 55.307 28.034 32.417 1.00 35.31 C +ATOM 967 CD PRO A 146 54.896 28.486 31.027 1.00 34.29 C +ATOM 968 N GLY A 147 56.245 32.683 32.838 1.00 35.97 N +ATOM 969 CA GLY A 147 57.093 33.838 32.799 1.00 37.58 C +ATOM 970 C GLY A 147 57.186 34.568 31.477 1.00 40.32 C +ATOM 971 O GLY A 147 58.050 35.445 31.266 1.00 38.99 O +ATOM 972 N LYS A 148 56.292 34.249 30.528 1.00 38.91 N +ATOM 973 CA LYS A 148 56.347 34.926 29.225 1.00 39.57 C +ATOM 974 C LYS A 148 54.970 35.466 28.856 1.00 38.40 C +ATOM 975 O LYS A 148 53.947 35.040 29.412 1.00 37.50 O +ATOM 976 CB LYS A 148 56.895 33.986 28.165 1.00 40.43 C +ATOM 977 CG LYS A 148 58.176 33.247 28.462 1.00 43.24 C +ATOM 978 N ASN A 149 54.919 36.469 27.977 1.00 38.06 N +ATOM 979 CA ASN A 149 53.579 37.015 27.623 1.00 39.70 C +ATOM 980 C ASN A 149 53.184 36.459 26.254 1.00 38.09 C +ATOM 981 O ASN A 149 52.998 37.188 25.269 1.00 40.18 O +ATOM 982 CB ASN A 149 53.523 38.505 27.714 1.00 44.62 C +ATOM 983 CG ASN A 149 53.498 39.074 29.116 1.00 47.45 C +ATOM 984 OD1 ASN A 149 52.864 38.554 30.041 1.00 47.21 O +ATOM 985 ND2 ASN A 149 54.185 40.200 29.304 1.00 51.25 N +ATOM 986 N ALA A 150 53.163 35.157 26.186 1.00 34.06 N +ATOM 987 CA ALA A 150 52.835 34.363 25.035 1.00 32.19 C +ATOM 988 C ALA A 150 51.912 33.218 25.441 1.00 31.49 C +ATOM 989 O ALA A 150 51.907 32.686 26.557 1.00 28.59 O +ATOM 990 CB ALA A 150 54.060 33.872 24.317 1.00 36.06 C +ATOM 991 N ILE A 151 50.999 32.908 24.504 1.00 25.44 N +ATOM 992 CA ILE A 151 50.041 31.868 24.760 1.00 24.99 C +ATOM 993 C ILE A 151 50.625 30.482 24.730 1.00 26.39 C +ATOM 994 O ILE A 151 51.228 30.057 23.735 1.00 28.00 O +ATOM 995 CB ILE A 151 48.906 31.916 23.687 1.00 20.73 C +ATOM 996 CG1 ILE A 151 48.114 33.229 23.930 1.00 22.49 C +ATOM 997 CG2 ILE A 151 48.017 30.717 23.811 1.00 21.66 C +ATOM 998 CD1 ILE A 151 47.246 33.505 22.661 1.00 24.78 C +ATOM 999 N ALA A 152 50.411 29.741 25.818 1.00 25.33 N +ATOM 1000 CA ALA A 152 50.873 28.355 25.852 1.00 26.26 C +ATOM 1001 C ALA A 152 49.772 27.535 25.190 1.00 26.72 C +ATOM 1002 O ALA A 152 50.013 26.832 24.206 1.00 26.66 O +ATOM 1003 CB ALA A 152 51.154 27.913 27.289 1.00 28.97 C +ATOM 1004 N HIS A 153 48.515 27.742 25.608 1.00 26.66 N +ATOM 1005 CA HIS A 153 47.411 27.007 25.002 1.00 26.99 C +ATOM 1006 C HIS A 153 46.076 27.623 25.443 1.00 24.54 C +ATOM 1007 O HIS A 153 46.050 28.444 26.360 1.00 26.48 O +ATOM 1008 CB HIS A 153 47.385 25.524 25.345 1.00 29.55 C +ATOM 1009 CG HIS A 153 47.349 25.241 26.819 1.00 33.02 C +ATOM 1010 ND1 HIS A 153 46.189 25.292 27.560 1.00 36.74 N +ATOM 1011 CD2 HIS A 153 48.357 24.990 27.691 1.00 33.94 C +ATOM 1012 CE1 HIS A 153 46.482 25.087 28.837 1.00 35.97 C +ATOM 1013 NE2 HIS A 153 47.780 24.900 28.949 1.00 33.64 N +ATOM 1014 N THR A 154 45.009 27.159 24.791 1.00 24.47 N +ATOM 1015 CA THR A 154 43.673 27.666 25.195 1.00 23.21 C +ATOM 1016 C THR A 154 43.123 26.832 26.352 1.00 26.93 C +ATOM 1017 O THR A 154 43.408 25.644 26.472 1.00 28.70 O +ATOM 1018 CB THR A 154 42.721 27.561 23.993 1.00 23.87 C +ATOM 1019 OG1 THR A 154 43.147 28.522 23.033 1.00 24.73 O +ATOM 1020 CG2 THR A 154 41.277 27.831 24.397 1.00 23.45 C +ATOM 1021 N VAL A 155 42.431 27.506 27.267 1.00 27.33 N +ATOM 1022 CA VAL A 155 41.765 26.870 28.402 1.00 27.70 C +ATOM 1023 C VAL A 155 40.281 26.818 28.058 1.00 28.33 C +ATOM 1024 O VAL A 155 39.684 27.874 27.830 1.00 26.11 O +ATOM 1025 CB VAL A 155 41.940 27.672 29.711 1.00 29.07 C +ATOM 1026 CG1 VAL A 155 41.082 27.101 30.854 1.00 27.87 C +ATOM 1027 CG2 VAL A 155 43.401 27.666 30.138 1.00 29.61 C +ATOM 1028 N ASP A 156 39.731 25.610 27.982 1.00 28.86 N +ATOM 1029 CA ASP A 156 38.319 25.468 27.636 1.00 30.37 C +ATOM 1030 C ASP A 156 37.420 26.225 28.594 1.00 28.77 C +ATOM 1031 O ASP A 156 37.438 26.044 29.812 1.00 25.53 O +ATOM 1032 CB ASP A 156 37.950 23.983 27.545 1.00 35.43 C +ATOM 1033 CG ASP A 156 36.567 23.702 27.009 1.00 40.42 C +ATOM 1034 OD1 ASP A 156 36.153 22.510 27.029 1.00 48.04 O +ATOM 1035 OD2 ASP A 156 35.847 24.608 26.544 1.00 38.19 O +ATOM 1036 N ARG A 157 36.544 27.064 28.021 1.00 29.17 N +ATOM 1037 CA ARG A 157 35.631 27.878 28.816 1.00 28.90 C +ATOM 1038 C ARG A 157 34.337 27.190 29.120 1.00 29.68 C +ATOM 1039 O ARG A 157 33.491 27.705 29.859 1.00 26.38 O +ATOM 1040 CB ARG A 157 35.342 29.211 28.099 1.00 32.12 C +ATOM 1041 CG ARG A 157 34.598 29.034 26.772 1.00 34.65 C +ATOM 1042 CD ARG A 157 33.974 30.373 26.343 1.00 38.58 C +ATOM 1043 NE ARG A 157 32.779 30.192 25.576 1.00 51.20 N +ATOM 1044 CZ ARG A 157 32.261 30.900 24.597 1.00 57.79 C +ATOM 1045 NH1 ARG A 157 31.114 30.509 24.027 1.00 60.18 N +ATOM 1046 NH2 ARG A 157 32.847 31.996 24.128 1.00 62.00 N +ATOM 1047 N ASN A 158 34.092 26.037 28.433 1.00 28.84 N +ATOM 1048 CA ASN A 158 32.775 25.413 28.776 1.00 30.79 C +ATOM 1049 C ASN A 158 32.836 24.941 30.211 1.00 27.78 C +ATOM 1050 O ASN A 158 33.787 24.248 30.594 1.00 26.70 O +ATOM 1051 CB ASN A 158 32.518 24.234 27.833 1.00 36.75 C +ATOM 1052 CG ASN A 158 31.066 24.243 27.371 1.00 47.64 C +ATOM 1053 OD1 ASN A 158 30.195 23.650 28.001 1.00 48.01 O +ATOM 1054 ND2 ASN A 158 30.819 24.982 26.283 1.00 50.14 N +ATOM 1055 N GLY A 159 31.804 25.182 31.006 1.00 25.90 N +ATOM 1056 CA GLY A 159 31.839 24.732 32.417 1.00 23.80 C +ATOM 1057 C GLY A 159 32.721 25.652 33.275 1.00 24.73 C +ATOM 1058 O GLY A 159 32.965 25.311 34.455 1.00 24.38 O +ATOM 1059 N LEU A 160 33.199 26.753 32.781 1.00 22.54 N +ATOM 1060 CA LEU A 160 34.056 27.698 33.524 1.00 23.76 C +ATOM 1061 C LEU A 160 33.226 28.872 34.014 1.00 23.50 C +ATOM 1062 O LEU A 160 32.424 29.462 33.283 1.00 21.72 O +ATOM 1063 CB LEU A 160 35.198 28.144 32.600 1.00 27.65 C +ATOM 1064 CG LEU A 160 36.353 28.883 33.270 1.00 27.66 C +ATOM 1065 CD1 LEU A 160 37.087 27.951 34.247 1.00 25.84 C +ATOM 1066 CD2 LEU A 160 37.325 29.450 32.271 1.00 25.98 C +ATOM 1067 N TRP A 161 33.296 29.176 35.319 1.00 23.09 N +ATOM 1068 CA TRP A 161 32.506 30.216 35.920 1.00 22.21 C +ATOM 1069 C TRP A 161 33.283 31.191 36.813 1.00 21.58 C +ATOM 1070 O TRP A 161 34.273 30.833 37.442 1.00 19.90 O +ATOM 1071 CB TRP A 161 31.502 29.517 36.897 1.00 24.01 C +ATOM 1072 CG TRP A 161 30.455 28.675 36.269 1.00 25.26 C +ATOM 1073 CD1 TRP A 161 30.584 27.412 35.743 1.00 20.80 C +ATOM 1074 CD2 TRP A 161 29.068 29.015 36.138 1.00 25.80 C +ATOM 1075 NE1 TRP A 161 29.362 26.948 35.315 1.00 23.28 N +ATOM 1076 CE2 TRP A 161 28.431 27.938 35.507 1.00 28.20 C +ATOM 1077 CE3 TRP A 161 28.319 30.149 36.472 1.00 27.66 C +ATOM 1078 CZ2 TRP A 161 27.055 27.928 35.247 1.00 32.46 C +ATOM 1079 CZ3 TRP A 161 26.957 30.148 36.205 1.00 31.83 C +ATOM 1080 CH2 TRP A 161 26.348 29.047 35.585 1.00 34.24 C +ATOM 1081 N HIS A 162 32.847 32.449 36.804 1.00 21.88 N +ATOM 1082 CA HIS A 162 33.394 33.463 37.715 1.00 20.13 C +ATOM 1083 C HIS A 162 32.696 33.240 39.093 1.00 23.65 C +ATOM 1084 O HIS A 162 31.471 33.246 39.126 1.00 23.10 O +ATOM 1085 CB HIS A 162 32.968 34.851 37.262 1.00 23.33 C +ATOM 1086 CG HIS A 162 33.498 35.293 35.918 1.00 24.75 C +ATOM 1087 ND1 HIS A 162 34.692 35.977 35.799 1.00 23.55 N +ATOM 1088 CD2 HIS A 162 32.941 35.240 34.691 1.00 26.08 C +ATOM 1089 CE1 HIS A 162 34.864 36.287 34.512 1.00 25.74 C +ATOM 1090 NE2 HIS A 162 33.837 35.823 33.810 1.00 26.11 N +ATOM 1091 N ALA A 163 33.462 33.054 40.161 1.00 19.99 N +ATOM 1092 CA ALA A 163 32.832 32.869 41.465 1.00 21.96 C +ATOM 1093 C ALA A 163 32.409 34.221 42.035 1.00 20.96 C +ATOM 1094 O ALA A 163 33.150 35.187 41.891 1.00 23.61 O +ATOM 1095 CB ALA A 163 33.799 32.193 42.445 1.00 19.55 C +ATOM 1096 N LEU A 164 31.215 34.256 42.604 1.00 21.06 N +ATOM 1097 CA LEU A 164 30.753 35.528 43.226 1.00 20.17 C +ATOM 1098 C LEU A 164 30.384 35.183 44.703 1.00 21.65 C +ATOM 1099 O LEU A 164 30.644 34.071 45.169 1.00 19.54 O +ATOM 1100 CB LEU A 164 29.501 36.010 42.503 1.00 20.31 C +ATOM 1101 CG LEU A 164 29.626 36.177 40.959 1.00 20.14 C +ATOM 1102 CD1 LEU A 164 28.250 36.417 40.351 1.00 22.09 C +ATOM 1103 CD2 LEU A 164 30.554 37.350 40.650 1.00 24.08 C +ATOM 1104 N THR A 165 29.847 36.176 45.400 1.00 21.12 N +ATOM 1105 CA THR A 165 29.304 35.887 46.782 1.00 22.35 C +ATOM 1106 C THR A 165 27.923 36.545 46.720 1.00 23.87 C +ATOM 1107 O THR A 165 27.754 37.434 45.856 1.00 23.25 O +ATOM 1108 CB THR A 165 30.140 36.365 47.920 1.00 20.73 C +ATOM 1109 OG1 THR A 165 30.082 37.791 48.126 1.00 20.53 O +ATOM 1110 CG2 THR A 165 31.623 35.982 47.739 1.00 20.32 C +ATOM 1111 N PRO A 166 26.982 36.240 47.584 1.00 21.81 N +ATOM 1112 CA PRO A 166 27.142 35.349 48.689 1.00 19.85 C +ATOM 1113 C PRO A 166 27.422 33.886 48.357 1.00 20.04 C +ATOM 1114 O PRO A 166 27.209 33.402 47.234 1.00 20.89 O +ATOM 1115 CB PRO A 166 25.798 35.434 49.424 1.00 20.37 C +ATOM 1116 CG PRO A 166 25.202 36.751 49.031 1.00 22.05 C +ATOM 1117 CD PRO A 166 25.654 36.936 47.592 1.00 20.94 C +ATOM 1118 N GLN A 167 27.899 33.189 49.382 1.00 19.05 N +ATOM 1119 CA GLN A 167 28.161 31.716 49.333 1.00 18.77 C +ATOM 1120 C GLN A 167 27.291 31.211 50.496 1.00 20.90 C +ATOM 1121 O GLN A 167 27.432 31.785 51.606 1.00 21.32 O +ATOM 1122 CB GLN A 167 29.669 31.485 49.476 1.00 18.30 C +ATOM 1123 CG GLN A 167 30.431 32.194 48.307 1.00 20.53 C +ATOM 1124 CD GLN A 167 31.722 31.557 47.932 1.00 20.24 C +ATOM 1125 OE1 GLN A 167 32.265 30.678 48.641 1.00 19.31 O +ATOM 1126 NE2 GLN A 167 32.304 31.958 46.768 1.00 18.45 N +ATOM 1127 N PHE A 168 26.430 30.257 50.251 1.00 19.08 N +ATOM 1128 CA PHE A 168 25.417 29.800 51.206 1.00 20.11 C +ATOM 1129 C PHE A 168 25.536 28.348 51.557 1.00 20.03 C +ATOM 1130 O PHE A 168 25.499 27.474 50.692 1.00 20.13 O +ATOM 1131 CB PHE A 168 24.078 30.099 50.523 1.00 18.74 C +ATOM 1132 CG PHE A 168 22.860 29.869 51.392 1.00 19.18 C +ATOM 1133 CD1 PHE A 168 22.754 30.483 52.603 1.00 19.07 C +ATOM 1134 CD2 PHE A 168 21.776 29.186 50.831 1.00 22.59 C +ATOM 1135 CE1 PHE A 168 21.597 30.323 53.374 1.00 22.74 C +ATOM 1136 CE2 PHE A 168 20.620 29.006 51.606 1.00 24.07 C +ATOM 1137 CZ PHE A 168 20.549 29.571 52.852 1.00 21.03 C +ATOM 1138 N PHE A 169 25.704 28.047 52.869 1.00 20.19 N +ATOM 1139 CA PHE A 169 25.963 26.658 53.271 1.00 20.83 C +ATOM 1140 C PHE A 169 25.304 26.269 54.593 1.00 21.22 C +ATOM 1141 O PHE A 169 25.110 27.152 55.431 1.00 22.12 O +ATOM 1142 CB PHE A 169 27.489 26.496 53.565 1.00 19.58 C +ATOM 1143 CG PHE A 169 28.375 26.938 52.426 1.00 20.66 C +ATOM 1144 CD1 PHE A 169 28.558 26.108 51.334 1.00 25.13 C +ATOM 1145 CD2 PHE A 169 28.968 28.194 52.438 1.00 22.46 C +ATOM 1146 CE1 PHE A 169 29.348 26.520 50.256 1.00 26.21 C +ATOM 1147 CE2 PHE A 169 29.766 28.578 51.367 1.00 21.95 C +ATOM 1148 CZ PHE A 169 29.950 27.768 50.288 1.00 25.67 C +ATOM 1149 N PRO A 170 25.094 24.982 54.742 1.00 20.59 N +ATOM 1150 CA PRO A 170 24.534 24.487 56.033 1.00 23.75 C +ATOM 1151 C PRO A 170 25.538 24.908 57.098 1.00 23.33 C +ATOM 1152 O PRO A 170 26.764 24.848 56.847 1.00 25.18 O +ATOM 1153 CB PRO A 170 24.557 22.975 55.859 1.00 23.65 C +ATOM 1154 CG PRO A 170 24.513 22.742 54.397 1.00 23.07 C +ATOM 1155 CD PRO A 170 25.257 23.899 53.776 1.00 22.97 C +ATOM 1156 N ARG A 171 25.062 25.331 58.242 1.00 23.16 N +ATOM 1157 CA ARG A 171 25.951 25.828 59.309 1.00 23.53 C +ATOM 1158 C ARG A 171 26.936 24.797 59.797 1.00 22.79 C +ATOM 1159 O ARG A 171 28.152 25.071 59.875 1.00 23.80 O +ATOM 1160 CB ARG A 171 25.032 26.270 60.464 1.00 30.99 C +ATOM 1161 CG ARG A 171 25.574 27.466 61.242 1.00 38.14 C +ATOM 1162 CD ARG A 171 26.690 27.126 62.135 1.00 38.87 C +ATOM 1163 NE ARG A 171 26.753 27.733 63.417 1.00 36.13 N +ATOM 1164 CZ ARG A 171 25.878 28.276 64.223 1.00 40.58 C +ATOM 1165 NH1 ARG A 171 24.598 28.380 63.905 1.00 41.38 N +ATOM 1166 NH2 ARG A 171 26.307 28.732 65.418 1.00 33.75 N +ATOM 1167 N GLU A 172 26.541 23.560 60.029 1.00 21.70 N +ATOM 1168 CA GLU A 172 27.460 22.559 60.552 1.00 24.36 C +ATOM 1169 C GLU A 172 28.522 22.122 59.539 1.00 22.15 C +ATOM 1170 O GLU A 172 29.704 22.003 59.877 1.00 23.47 O +ATOM 1171 CB GLU A 172 26.687 21.355 61.074 1.00 28.91 C +ATOM 1172 CG GLU A 172 27.553 20.171 61.464 1.00 35.55 C +ATOM 1173 N LEU A 173 28.118 21.883 58.325 1.00 24.81 N +ATOM 1174 CA LEU A 173 29.059 21.471 57.255 1.00 21.95 C +ATOM 1175 C LEU A 173 30.121 22.525 57.065 1.00 23.11 C +ATOM 1176 O LEU A 173 31.316 22.254 56.959 1.00 21.04 O +ATOM 1177 CB LEU A 173 28.261 21.220 55.988 1.00 25.81 C +ATOM 1178 CG LEU A 173 29.105 20.729 54.780 1.00 24.28 C +ATOM 1179 CD1 LEU A 173 29.699 19.367 55.157 1.00 31.10 C +ATOM 1180 CD2 LEU A 173 28.241 20.642 53.549 1.00 28.42 C +ATOM 1181 N LEU A 174 29.667 23.814 56.970 1.00 20.49 N +ATOM 1182 CA LEU A 174 30.631 24.882 56.818 1.00 21.29 C +ATOM 1183 C LEU A 174 31.589 24.945 57.987 1.00 20.00 C +ATOM 1184 O LEU A 174 32.801 24.988 57.836 1.00 20.79 O +ATOM 1185 CB LEU A 174 29.955 26.248 56.616 1.00 22.50 C +ATOM 1186 CG LEU A 174 30.916 27.410 56.394 1.00 21.80 C +ATOM 1187 CD1 LEU A 174 31.722 27.230 55.098 1.00 24.98 C +ATOM 1188 CD2 LEU A 174 30.154 28.738 56.349 1.00 22.40 C +ATOM 1189 N HIS A 175 31.046 24.961 59.226 1.00 20.24 N +ATOM 1190 CA HIS A 175 31.925 25.006 60.383 1.00 22.57 C +ATOM 1191 C HIS A 175 32.922 23.844 60.408 1.00 20.53 C +ATOM 1192 O HIS A 175 34.127 24.045 60.610 1.00 21.18 O +ATOM 1193 CB HIS A 175 31.059 24.880 61.677 1.00 22.57 C +ATOM 1194 CG HIS A 175 31.925 24.714 62.894 1.00 26.83 C +ATOM 1195 ND1 HIS A 175 32.405 23.479 63.271 1.00 27.66 N +ATOM 1196 CD2 HIS A 175 32.443 25.623 63.758 1.00 29.25 C +ATOM 1197 CE1 HIS A 175 33.136 23.635 64.385 1.00 29.95 C +ATOM 1198 NE2 HIS A 175 33.187 24.911 64.688 1.00 28.33 N +ATOM 1199 N ASP A 176 32.435 22.653 60.164 1.00 22.38 N +ATOM 1200 CA ASP A 176 33.301 21.469 60.252 1.00 23.08 C +ATOM 1201 C ASP A 176 34.360 21.439 59.177 1.00 24.00 C +ATOM 1202 O ASP A 176 35.544 21.109 59.416 1.00 23.19 O +ATOM 1203 CB ASP A 176 32.454 20.208 60.271 1.00 26.04 C +ATOM 1204 CG ASP A 176 31.632 20.079 61.552 1.00 26.69 C +ATOM 1205 OD1 ASP A 176 30.858 19.108 61.633 1.00 27.42 O +ATOM 1206 OD2 ASP A 176 31.714 20.913 62.460 1.00 23.82 O +ATOM 1207 N CYS A 177 33.932 21.754 57.951 1.00 20.62 N +ATOM 1208 CA CYS A 177 34.918 21.756 56.879 1.00 22.07 C +ATOM 1209 C CYS A 177 35.959 22.843 57.027 1.00 21.71 C +ATOM 1210 O CYS A 177 37.164 22.658 56.750 1.00 24.28 O +ATOM 1211 CB CYS A 177 34.249 21.909 55.542 1.00 23.59 C +ATOM 1212 SG ACYS A 177 35.271 21.768 54.155 0.65 19.45 S +ATOM 1213 SG BCYS A 177 33.285 20.719 54.745 0.35 19.78 S +ATOM 1214 N LEU A 178 35.497 24.111 57.226 1.00 21.58 N +ATOM 1215 CA LEU A 178 36.422 25.205 57.374 1.00 22.45 C +ATOM 1216 C LEU A 178 37.429 24.889 58.492 1.00 21.61 C +ATOM 1217 O LEU A 178 38.612 25.203 58.372 1.00 22.26 O +ATOM 1218 CB LEU A 178 35.703 26.508 57.778 1.00 22.48 C +ATOM 1219 CG LEU A 178 35.757 27.698 56.871 1.00 31.79 C +ATOM 1220 CD1 LEU A 178 35.243 28.944 57.597 1.00 30.62 C +ATOM 1221 CD2 LEU A 178 37.150 27.952 56.298 1.00 34.02 C +ATOM 1222 N THR A 179 36.910 24.401 59.628 1.00 24.00 N +ATOM 1223 CA THR A 179 37.822 24.076 60.733 1.00 21.00 C +ATOM 1224 C THR A 179 38.876 23.072 60.270 1.00 22.60 C +ATOM 1225 O THR A 179 40.067 23.265 60.495 1.00 23.31 O +ATOM 1226 CB THR A 179 37.023 23.450 61.902 1.00 25.66 C +ATOM 1227 OG1 THR A 179 36.085 24.447 62.358 1.00 24.54 O +ATOM 1228 CG2 THR A 179 37.938 23.091 63.066 1.00 25.36 C +ATOM 1229 N ARG A 180 38.416 21.964 59.669 1.00 21.77 N +ATOM 1230 CA ARG A 180 39.394 20.958 59.227 1.00 21.80 C +ATOM 1231 C ARG A 180 40.380 21.476 58.212 1.00 21.51 C +ATOM 1232 O ARG A 180 41.603 21.307 58.361 1.00 23.05 O +ATOM 1233 CB ARG A 180 38.654 19.720 58.664 1.00 22.05 C +ATOM 1234 CG ARG A 180 39.686 18.672 58.157 1.00 20.97 C +ATOM 1235 CD ARG A 180 40.531 18.182 59.351 1.00 19.17 C +ATOM 1236 NE ARG A 180 39.714 17.573 60.380 1.00 22.98 N +ATOM 1237 CZ ARG A 180 39.210 16.347 60.414 1.00 24.23 C +ATOM 1238 NH1 ARG A 180 38.459 16.009 61.482 1.00 19.45 N +ATOM 1239 NH2 ARG A 180 39.444 15.438 59.482 1.00 23.54 N +ATOM 1240 N ALA A 181 39.928 22.223 57.219 1.00 21.33 N +ATOM 1241 CA ALA A 181 40.825 22.767 56.173 1.00 24.12 C +ATOM 1242 C ALA A 181 41.881 23.661 56.779 1.00 27.02 C +ATOM 1243 O ALA A 181 43.067 23.614 56.457 1.00 27.24 O +ATOM 1244 CB ALA A 181 39.998 23.518 55.144 1.00 23.70 C +ATOM 1245 N LEU A 182 41.424 24.563 57.681 1.00 25.03 N +ATOM 1246 CA LEU A 182 42.374 25.463 58.315 1.00 28.78 C +ATOM 1247 C LEU A 182 43.386 24.705 59.166 1.00 28.87 C +ATOM 1248 O LEU A 182 44.574 24.982 59.066 1.00 30.41 O +ATOM 1249 CB LEU A 182 41.636 26.477 59.172 1.00 29.47 C +ATOM 1250 CG LEU A 182 40.924 27.613 58.431 1.00 35.14 C +ATOM 1251 CD1 LEU A 182 40.307 28.526 59.499 1.00 35.04 C +ATOM 1252 CD2 LEU A 182 41.884 28.404 57.560 1.00 37.53 C +ATOM 1253 N ASN A 183 42.938 23.718 59.929 1.00 30.09 N +ATOM 1254 CA ASN A 183 43.848 22.930 60.776 1.00 31.16 C +ATOM 1255 C ASN A 183 44.876 22.192 59.941 1.00 31.44 C +ATOM 1256 O ASN A 183 46.053 22.090 60.301 1.00 34.27 O +ATOM 1257 CB ASN A 183 43.038 21.904 61.591 1.00 29.08 C +ATOM 1258 CG ASN A 183 42.342 22.565 62.772 1.00 32.16 C +ATOM 1259 OD1 ASN A 183 42.601 23.735 63.062 1.00 38.78 O +ATOM 1260 ND2 ASN A 183 41.457 21.850 63.435 1.00 30.82 N +ATOM 1261 N GLU A 184 44.458 21.645 58.804 1.00 30.82 N +ATOM 1262 CA GLU A 184 45.321 20.935 57.901 1.00 28.65 C +ATOM 1263 C GLU A 184 46.131 21.869 57.007 1.00 29.60 C +ATOM 1264 O GLU A 184 46.898 21.414 56.147 1.00 29.44 O +ATOM 1265 CB GLU A 184 44.491 19.976 57.009 1.00 26.60 C +ATOM 1266 CG GLU A 184 43.945 18.792 57.828 1.00 29.52 C +ATOM 1267 CD GLU A 184 45.111 17.899 58.260 1.00 31.11 C +ATOM 1268 OE1 GLU A 184 45.696 17.258 57.348 1.00 28.64 O +ATOM 1269 OE2 GLU A 184 45.390 17.876 59.461 1.00 33.41 O +ATOM 1270 N GLY A 185 45.969 23.168 57.143 1.00 31.28 N +ATOM 1271 CA GLY A 185 46.732 24.141 56.367 1.00 31.37 C +ATOM 1272 C GLY A 185 46.396 24.236 54.933 1.00 32.15 C +ATOM 1273 O GLY A 185 47.219 24.600 54.033 1.00 33.13 O +ATOM 1274 N ALA A 186 45.156 23.929 54.563 1.00 31.34 N +ATOM 1275 CA ALA A 186 44.731 24.033 53.184 1.00 30.51 C +ATOM 1276 C ALA A 186 44.811 25.506 52.732 1.00 32.22 C +ATOM 1277 O ALA A 186 44.764 26.382 53.584 1.00 30.42 O +ATOM 1278 CB ALA A 186 43.273 23.591 53.078 1.00 32.30 C +ATOM 1279 N THR A 187 44.925 25.697 51.435 1.00 31.51 N +ATOM 1280 CA THR A 187 44.974 27.026 50.800 1.00 34.33 C +ATOM 1281 C THR A 187 43.536 27.445 50.492 1.00 32.67 C +ATOM 1282 O THR A 187 42.911 27.005 49.521 1.00 37.21 O +ATOM 1283 CB THR A 187 45.820 26.997 49.519 1.00 38.02 C +ATOM 1284 OG1 THR A 187 47.150 26.527 49.824 1.00 42.99 O +ATOM 1285 CG2 THR A 187 45.932 28.367 48.876 1.00 42.20 C +ATOM 1286 N ILE A 188 42.977 28.279 51.344 1.00 33.53 N +ATOM 1287 CA ILE A 188 41.571 28.679 51.235 1.00 32.58 C +ATOM 1288 C ILE A 188 41.407 30.062 50.616 1.00 34.40 C +ATOM 1289 O ILE A 188 41.997 31.045 51.070 1.00 35.27 O +ATOM 1290 CB ILE A 188 40.929 28.677 52.629 1.00 34.29 C +ATOM 1291 CG1 ILE A 188 41.077 27.294 53.292 1.00 36.32 C +ATOM 1292 CG2 ILE A 188 39.455 29.082 52.610 1.00 33.72 C +ATOM 1293 CD1 ILE A 188 40.532 27.248 54.702 1.00 36.32 C +ATOM 1294 N THR A 189 40.575 30.137 49.596 1.00 29.40 N +ATOM 1295 CA THR A 189 40.271 31.422 48.969 1.00 29.42 C +ATOM 1296 C THR A 189 38.869 31.823 49.436 1.00 27.52 C +ATOM 1297 O THR A 189 38.789 32.539 50.430 1.00 29.08 O +ATOM 1298 CB THR A 189 40.366 31.322 47.454 1.00 30.10 C +ATOM 1299 OG1 THR A 189 39.748 30.103 47.028 1.00 29.98 O +ATOM 1300 CG2 THR A 189 41.849 31.255 47.034 1.00 33.90 C +ATOM 1301 N ASP A 190 37.825 31.226 48.867 1.00 24.69 N +ATOM 1302 CA ASP A 190 36.459 31.500 49.320 1.00 22.26 C +ATOM 1303 C ASP A 190 35.948 30.310 50.141 1.00 21.98 C +ATOM 1304 O ASP A 190 36.665 29.324 50.298 1.00 22.28 O +ATOM 1305 CB ASP A 190 35.503 31.804 48.177 1.00 20.86 C +ATOM 1306 CG ASP A 190 35.448 30.748 47.093 1.00 22.29 C +ATOM 1307 OD1 ASP A 190 34.794 30.995 46.065 1.00 21.88 O +ATOM 1308 OD2 ASP A 190 36.010 29.633 47.250 1.00 23.85 O +ATOM 1309 N GLU A 191 34.714 30.441 50.639 1.00 21.14 N +ATOM 1310 CA GLU A 191 34.163 29.366 51.476 1.00 20.53 C +ATOM 1311 C GLU A 191 34.009 28.134 50.627 1.00 18.76 C +ATOM 1312 O GLU A 191 34.252 27.014 51.105 1.00 18.98 O +ATOM 1313 CB GLU A 191 32.880 29.775 52.168 1.00 21.05 C +ATOM 1314 CG GLU A 191 33.061 30.819 53.270 1.00 24.06 C +ATOM 1315 CD GLU A 191 33.607 32.128 52.705 1.00 28.09 C +ATOM 1316 OE1 GLU A 191 33.145 32.582 51.634 1.00 26.56 O +ATOM 1317 OE2 GLU A 191 34.541 32.672 53.298 1.00 29.87 O +ATOM 1318 N ALA A 192 33.547 28.296 49.372 1.00 18.33 N +ATOM 1319 CA ALA A 192 33.441 27.104 48.508 1.00 17.78 C +ATOM 1320 C ALA A 192 34.732 26.321 48.464 1.00 20.04 C +ATOM 1321 O ALA A 192 34.717 25.062 48.398 1.00 19.96 O +ATOM 1322 CB ALA A 192 33.074 27.538 47.069 1.00 16.12 C +ATOM 1323 N SER A 193 35.878 27.001 48.400 1.00 19.57 N +ATOM 1324 CA SER A 193 37.179 26.274 48.303 1.00 21.38 C +ATOM 1325 C SER A 193 37.420 25.415 49.526 1.00 21.37 C +ATOM 1326 O SER A 193 38.137 24.372 49.419 1.00 20.07 O +ATOM 1327 CB SER A 193 38.312 27.268 48.064 1.00 20.87 C +ATOM 1328 OG SER A 193 38.672 27.972 49.246 1.00 23.37 O +ATOM 1329 N ALA A 194 36.885 25.748 50.693 1.00 21.46 N +ATOM 1330 CA ALA A 194 37.045 24.872 51.859 1.00 21.52 C +ATOM 1331 C ALA A 194 36.203 23.617 51.648 1.00 21.38 C +ATOM 1332 O ALA A 194 36.676 22.506 51.876 1.00 21.24 O +ATOM 1333 CB ALA A 194 36.629 25.553 53.169 1.00 20.74 C +ATOM 1334 N LEU A 195 34.964 23.780 51.140 1.00 18.27 N +ATOM 1335 CA LEU A 195 34.121 22.626 50.878 1.00 20.28 C +ATOM 1336 C LEU A 195 34.796 21.727 49.833 1.00 20.76 C +ATOM 1337 O LEU A 195 34.753 20.490 49.904 1.00 20.21 O +ATOM 1338 CB LEU A 195 32.701 23.038 50.455 1.00 19.52 C +ATOM 1339 CG LEU A 195 31.729 23.148 51.682 1.00 22.64 C +ATOM 1340 CD1 LEU A 195 32.171 24.363 52.490 1.00 26.40 C +ATOM 1341 CD2 LEU A 195 30.302 23.265 51.200 1.00 31.92 C +ATOM 1342 N GLU A 196 35.442 22.340 48.853 1.00 18.83 N +ATOM 1343 CA GLU A 196 36.157 21.596 47.800 1.00 18.38 C +ATOM 1344 C GLU A 196 37.276 20.754 48.394 1.00 20.93 C +ATOM 1345 O GLU A 196 37.519 19.568 48.041 1.00 21.25 O +ATOM 1346 CB GLU A 196 36.753 22.624 46.816 1.00 19.89 C +ATOM 1347 CG GLU A 196 35.635 23.386 46.089 1.00 27.45 C +ATOM 1348 CD GLU A 196 36.205 24.577 45.295 1.00 28.88 C +ATOM 1349 OE1 GLU A 196 35.423 25.539 45.168 1.00 27.02 O +ATOM 1350 OE2 GLU A 196 37.397 24.492 44.911 1.00 31.03 O +ATOM 1351 N TYR A 197 38.020 21.370 49.295 1.00 17.73 N +ATOM 1352 CA TYR A 197 39.129 20.668 49.961 1.00 21.34 C +ATOM 1353 C TYR A 197 38.641 19.435 50.704 1.00 20.98 C +ATOM 1354 O TYR A 197 39.280 18.385 50.669 1.00 19.77 O +ATOM 1355 CB TYR A 197 39.745 21.650 50.991 1.00 24.02 C +ATOM 1356 CG TYR A 197 40.903 20.984 51.712 1.00 27.12 C +ATOM 1357 CD1 TYR A 197 42.111 20.959 51.015 1.00 30.57 C +ATOM 1358 CD2 TYR A 197 40.798 20.354 52.931 1.00 30.09 C +ATOM 1359 CE1 TYR A 197 43.218 20.381 51.565 1.00 31.51 C +ATOM 1360 CE2 TYR A 197 41.933 19.735 53.499 1.00 32.03 C +ATOM 1361 CZ TYR A 197 43.108 19.756 52.791 1.00 32.07 C +ATOM 1362 OH TYR A 197 44.273 19.184 53.273 1.00 36.79 O +ATOM 1363 N CYS A 198 37.449 19.540 51.319 1.00 18.64 N +ATOM 1364 CA CYS A 198 36.871 18.447 52.073 1.00 21.76 C +ATOM 1365 C CYS A 198 36.179 17.413 51.199 1.00 20.82 C +ATOM 1366 O CYS A 198 35.827 16.350 51.738 1.00 23.70 O +ATOM 1367 CB CYS A 198 35.867 18.978 53.123 1.00 22.65 C +ATOM 1368 SG CYS A 198 36.553 20.121 54.336 1.00 21.10 S +ATOM 1369 N GLY A 199 36.050 17.667 49.913 1.00 20.78 N +ATOM 1370 CA GLY A 199 35.478 16.721 48.981 1.00 19.84 C +ATOM 1371 C GLY A 199 34.043 16.941 48.601 1.00 23.77 C +ATOM 1372 O GLY A 199 33.367 16.008 48.121 1.00 24.16 O +ATOM 1373 N PHE A 200 33.488 18.117 48.907 1.00 21.86 N +ATOM 1374 CA PHE A 200 32.140 18.461 48.606 1.00 22.79 C +ATOM 1375 C PHE A 200 32.102 19.361 47.361 1.00 23.97 C +ATOM 1376 O PHE A 200 33.108 19.837 46.854 1.00 23.52 O +ATOM 1377 CB PHE A 200 31.402 19.116 49.780 1.00 20.68 C +ATOM 1378 CG PHE A 200 31.425 18.233 51.015 1.00 25.47 C +ATOM 1379 CD1 PHE A 200 32.394 18.390 51.979 1.00 29.31 C +ATOM 1380 CD2 PHE A 200 30.478 17.244 51.178 1.00 30.34 C +ATOM 1381 CE1 PHE A 200 32.414 17.579 53.114 1.00 27.84 C +ATOM 1382 CE2 PHE A 200 30.491 16.419 52.301 1.00 31.32 C +ATOM 1383 CZ PHE A 200 31.474 16.573 53.242 1.00 27.88 C +ATOM 1384 N HIS A 201 30.906 19.395 46.776 1.00 19.96 N +ATOM 1385 CA HIS A 201 30.679 20.124 45.534 1.00 23.49 C +ATOM 1386 C HIS A 201 29.477 21.049 45.636 1.00 22.39 C +ATOM 1387 O HIS A 201 28.370 20.688 45.256 1.00 22.84 O +ATOM 1388 CB HIS A 201 30.426 19.105 44.397 1.00 25.56 C +ATOM 1389 CG HIS A 201 31.567 18.141 44.307 1.00 29.07 C +ATOM 1390 ND1 HIS A 201 32.713 18.394 43.628 1.00 30.20 N +ATOM 1391 CD2 HIS A 201 31.716 16.908 44.896 1.00 33.92 C +ATOM 1392 CE1 HIS A 201 33.546 17.373 43.774 1.00 31.67 C +ATOM 1393 NE2 HIS A 201 32.952 16.465 44.531 1.00 35.48 N +ATOM 1394 N PRO A 202 29.749 22.283 46.032 1.00 22.81 N +ATOM 1395 CA PRO A 202 28.711 23.295 46.151 1.00 22.90 C +ATOM 1396 C PRO A 202 28.103 23.591 44.774 1.00 22.40 C +ATOM 1397 O PRO A 202 28.743 23.477 43.719 1.00 21.08 O +ATOM 1398 CB PRO A 202 29.435 24.476 46.746 1.00 21.87 C +ATOM 1399 CG PRO A 202 30.729 23.970 47.320 1.00 21.01 C +ATOM 1400 CD PRO A 202 31.088 22.793 46.418 1.00 21.04 C +ATOM 1401 N GLN A 203 26.818 23.915 44.785 1.00 22.00 N +ATOM 1402 CA GLN A 203 26.067 24.201 43.542 1.00 22.26 C +ATOM 1403 C GLN A 203 26.447 25.587 43.031 1.00 23.20 C +ATOM 1404 O GLN A 203 26.746 26.498 43.826 1.00 22.47 O +ATOM 1405 CB GLN A 203 24.570 24.211 43.896 1.00 27.04 C +ATOM 1406 CG GLN A 203 23.937 22.858 44.110 1.00 33.50 C +ATOM 1407 N LEU A 204 26.390 25.734 41.720 1.00 20.94 N +ATOM 1408 CA LEU A 204 26.614 27.025 41.063 1.00 20.76 C +ATOM 1409 C LEU A 204 25.234 27.612 40.681 1.00 24.55 C +ATOM 1410 O LEU A 204 24.471 26.950 39.952 1.00 23.81 O +ATOM 1411 CB LEU A 204 27.453 26.776 39.809 1.00 21.06 C +ATOM 1412 CG LEU A 204 28.937 26.432 40.073 1.00 22.82 C +ATOM 1413 CD1 LEU A 204 29.556 25.700 38.886 1.00 22.16 C +ATOM 1414 CD2 LEU A 204 29.721 27.698 40.377 1.00 26.20 C +ATOM 1415 N VAL A 205 24.836 28.706 41.312 1.00 21.05 N +ATOM 1416 CA VAL A 205 23.543 29.368 40.992 1.00 23.31 C +ATOM 1417 C VAL A 205 23.890 30.605 40.167 1.00 23.36 C +ATOM 1418 O VAL A 205 24.588 31.498 40.634 1.00 23.80 O +ATOM 1419 CB VAL A 205 22.852 29.774 42.319 1.00 23.74 C +ATOM 1420 CG1 VAL A 205 21.587 30.577 42.105 1.00 25.24 C +ATOM 1421 CG2 VAL A 205 22.519 28.512 43.136 1.00 22.87 C +ATOM 1422 N GLU A 206 23.399 30.703 38.909 1.00 25.33 N +ATOM 1423 CA GLU A 206 23.753 31.853 38.107 1.00 25.43 C +ATOM 1424 C GLU A 206 23.173 33.142 38.654 1.00 27.23 C +ATOM 1425 O GLU A 206 21.988 33.194 39.030 1.00 28.70 O +ATOM 1426 CB GLU A 206 23.394 31.666 36.609 1.00 26.10 C +ATOM 1427 CG GLU A 206 23.791 32.914 35.796 1.00 26.05 C +ATOM 1428 CD GLU A 206 23.657 32.701 34.287 1.00 32.15 C +ATOM 1429 OE1 GLU A 206 24.071 33.617 33.543 1.00 27.71 O +ATOM 1430 OE2 GLU A 206 23.226 31.618 33.889 1.00 31.94 O +ATOM 1431 N GLY A 207 24.027 34.139 38.794 1.00 26.48 N +ATOM 1432 CA GLY A 207 23.581 35.463 39.261 1.00 29.18 C +ATOM 1433 C GLY A 207 24.032 36.509 38.253 1.00 30.42 C +ATOM 1434 O GLY A 207 24.907 36.249 37.414 1.00 30.04 O +ATOM 1435 N ARG A 208 23.504 37.732 38.338 1.00 29.69 N +ATOM 1436 CA ARG A 208 23.912 38.770 37.411 1.00 28.95 C +ATOM 1437 C ARG A 208 25.373 39.153 37.563 1.00 30.55 C +ATOM 1438 O ARG A 208 25.941 39.158 38.648 1.00 29.74 O +ATOM 1439 CB ARG A 208 23.034 40.024 37.582 1.00 35.51 C +ATOM 1440 CG ARG A 208 21.613 39.830 37.036 1.00 41.33 C +ATOM 1441 CD ARG A 208 20.889 41.191 36.977 1.00 44.71 C +ATOM 1442 NE ARG A 208 19.456 41.003 36.738 1.00 47.27 N +ATOM 1443 CZ ARG A 208 18.630 40.434 37.610 1.00 49.34 C +ATOM 1444 NH1 ARG A 208 17.336 40.275 37.346 1.00 48.46 N +ATOM 1445 NH2 ARG A 208 19.104 40.027 38.787 1.00 44.15 N +ATOM 1446 N ALA A 209 26.008 39.550 36.448 1.00 31.07 N +ATOM 1447 CA ALA A 209 27.415 39.929 36.441 1.00 30.98 C +ATOM 1448 C ALA A 209 27.685 41.335 36.903 1.00 29.95 C +ATOM 1449 O ALA A 209 28.835 41.776 37.074 1.00 30.58 O +ATOM 1450 CB ALA A 209 27.989 39.700 35.022 1.00 37.89 C +ATOM 1451 N ASP A 210 26.659 42.086 37.291 1.00 29.39 N +ATOM 1452 CA ASP A 210 26.888 43.426 37.849 1.00 29.72 C +ATOM 1453 C ASP A 210 27.194 43.292 39.325 1.00 28.89 C +ATOM 1454 O ASP A 210 27.346 44.284 40.055 1.00 26.90 O +ATOM 1455 CB ASP A 210 25.687 44.327 37.570 1.00 34.53 C +ATOM 1456 CG ASP A 210 24.389 43.888 38.167 1.00 37.97 C +ATOM 1457 OD1 ASP A 210 23.373 44.655 38.136 1.00 39.16 O +ATOM 1458 OD2 ASP A 210 24.294 42.772 38.729 1.00 32.11 O +ATOM 1459 N ASN A 211 27.290 42.046 39.810 1.00 26.26 N +ATOM 1460 CA ASN A 211 27.654 41.806 41.233 1.00 25.23 C +ATOM 1461 C ASN A 211 29.172 41.898 41.285 1.00 26.61 C +ATOM 1462 O ASN A 211 29.909 40.931 41.163 1.00 28.27 O +ATOM 1463 CB ASN A 211 27.195 40.411 41.641 1.00 23.70 C +ATOM 1464 CG ASN A 211 27.550 40.041 43.066 1.00 26.94 C +ATOM 1465 OD1 ASN A 211 28.171 40.803 43.815 1.00 27.83 O +ATOM 1466 ND2 ASN A 211 27.136 38.834 43.502 1.00 20.60 N +ATOM 1467 N ILE A 212 29.698 43.145 41.240 1.00 29.42 N +ATOM 1468 CA ILE A 212 31.122 43.325 41.216 1.00 27.79 C +ATOM 1469 C ILE A 212 31.742 43.512 42.580 1.00 28.11 C +ATOM 1470 O ILE A 212 31.087 43.976 43.513 1.00 30.09 O +ATOM 1471 CB ILE A 212 31.521 44.521 40.319 1.00 35.05 C +ATOM 1472 CG1 ILE A 212 30.719 45.763 40.712 1.00 36.49 C +ATOM 1473 CG2 ILE A 212 31.287 44.215 38.837 1.00 31.02 C +ATOM 1474 CD1 ILE A 212 31.178 46.477 41.930 1.00 44.11 C +ATOM 1475 N LYS A 213 33.045 43.255 42.666 1.00 28.06 N +ATOM 1476 CA LYS A 213 33.803 43.448 43.885 1.00 29.10 C +ATOM 1477 C LYS A 213 34.659 44.716 43.731 1.00 33.09 C +ATOM 1478 O LYS A 213 35.475 44.815 42.807 1.00 31.11 O +ATOM 1479 CB LYS A 213 34.724 42.279 44.216 1.00 33.68 C +ATOM 1480 CG LYS A 213 35.359 42.401 45.617 1.00 33.66 C +ATOM 1481 CD LYS A 213 36.089 41.090 45.944 1.00 37.78 C +ATOM 1482 CE LYS A 213 37.142 41.348 47.022 1.00 40.26 C +ATOM 1483 NZ LYS A 213 37.769 40.076 47.478 1.00 40.26 N +ATOM 1484 N VAL A 214 34.394 45.685 44.591 1.00 31.86 N +ATOM 1485 CA VAL A 214 35.134 46.950 44.511 1.00 33.03 C +ATOM 1486 C VAL A 214 36.574 46.756 44.947 1.00 35.65 C +ATOM 1487 O VAL A 214 36.949 46.561 46.097 1.00 33.81 O +ATOM 1488 CB VAL A 214 34.418 48.078 45.216 1.00 30.84 C +ATOM 1489 CG1 VAL A 214 35.200 49.384 45.146 1.00 32.32 C +ATOM 1490 CG2 VAL A 214 33.013 48.253 44.673 1.00 34.54 C +ATOM 1491 N THR A 215 37.407 46.701 43.910 1.00 38.26 N +ATOM 1492 CA THR A 215 38.814 46.492 43.899 1.00 43.54 C +ATOM 1493 C THR A 215 39.197 45.082 44.356 1.00 47.52 C +ATOM 1494 O THR A 215 38.466 44.118 44.011 1.00 47.34 O +ATOM 1495 CB THR A 215 39.628 47.571 44.614 1.00 47.40 C +ATOM 1496 OG1 THR A 215 39.408 48.831 43.915 1.00 46.09 O +ATOM 1497 CG2 THR A 215 41.127 47.291 44.574 1.00 44.25 C +ATOM 1498 N GLU A 218 38.606 52.623 40.139 1.00 52.31 N +ATOM 1499 CA GLU A 218 37.763 52.665 38.947 1.00 53.13 C +ATOM 1500 C GLU A 218 36.437 51.955 39.155 1.00 53.33 C +ATOM 1501 O GLU A 218 35.401 52.316 38.595 1.00 54.96 O +ATOM 1502 CB GLU A 218 38.513 51.992 37.782 1.00 57.02 C +ATOM 1503 N ASP A 219 36.465 50.942 40.020 1.00 51.65 N +ATOM 1504 CA ASP A 219 35.327 50.121 40.367 1.00 47.12 C +ATOM 1505 C ASP A 219 34.165 50.913 40.946 1.00 43.96 C +ATOM 1506 O ASP A 219 32.993 50.538 40.809 1.00 41.69 O +ATOM 1507 CB ASP A 219 35.770 49.054 41.386 1.00 47.11 C +ATOM 1508 CG ASP A 219 36.572 47.930 40.779 1.00 49.73 C +ATOM 1509 OD1 ASP A 219 36.255 47.509 39.646 1.00 50.86 O +ATOM 1510 OD2 ASP A 219 37.517 47.431 41.433 1.00 49.72 O +ATOM 1511 N LEU A 220 34.503 51.998 41.636 1.00 42.28 N +ATOM 1512 CA LEU A 220 33.523 52.841 42.290 1.00 40.40 C +ATOM 1513 C LEU A 220 32.505 53.372 41.315 1.00 38.35 C +ATOM 1514 O LEU A 220 31.293 53.218 41.479 1.00 36.77 O +ATOM 1515 CB LEU A 220 34.241 53.981 43.045 1.00 42.80 C +ATOM 1516 CG LEU A 220 33.596 54.381 44.373 1.00 46.55 C +ATOM 1517 CD1 LEU A 220 33.476 53.172 45.304 1.00 44.77 C +ATOM 1518 CD2 LEU A 220 34.408 55.485 45.046 1.00 47.81 C +ATOM 1519 N ALA A 221 33.031 54.002 40.246 1.00 36.63 N +ATOM 1520 CA ALA A 221 32.159 54.563 39.231 1.00 37.42 C +ATOM 1521 C ALA A 221 31.257 53.494 38.630 1.00 34.11 C +ATOM 1522 O ALA A 221 30.052 53.734 38.491 1.00 35.97 O +ATOM 1523 CB ALA A 221 32.980 55.289 38.160 1.00 33.74 C +ATOM 1524 N LEU A 222 31.784 52.314 38.335 1.00 35.04 N +ATOM 1525 CA LEU A 222 30.940 51.254 37.759 1.00 35.05 C +ATOM 1526 C LEU A 222 29.901 50.757 38.753 1.00 32.03 C +ATOM 1527 O LEU A 222 28.718 50.580 38.454 1.00 31.31 O +ATOM 1528 CB LEU A 222 31.802 50.104 37.237 1.00 37.29 C +ATOM 1529 CG LEU A 222 31.029 48.879 36.734 1.00 39.10 C +ATOM 1530 CD1 LEU A 222 29.971 49.273 35.718 1.00 38.16 C +ATOM 1531 CD2 LEU A 222 32.014 47.865 36.129 1.00 41.06 C +ATOM 1532 N ALA A 223 30.338 50.547 39.997 1.00 33.56 N +ATOM 1533 CA ALA A 223 29.388 50.133 41.036 1.00 32.69 C +ATOM 1534 C ALA A 223 28.292 51.179 41.184 1.00 32.50 C +ATOM 1535 O ALA A 223 27.121 50.840 41.327 1.00 31.23 O +ATOM 1536 CB ALA A 223 30.128 49.924 42.351 1.00 30.49 C +ATOM 1537 N GLU A 224 28.649 52.478 41.114 1.00 34.07 N +ATOM 1538 CA GLU A 224 27.580 53.485 41.227 1.00 36.33 C +ATOM 1539 C GLU A 224 26.591 53.374 40.086 1.00 37.67 C +ATOM 1540 O GLU A 224 25.383 53.492 40.299 1.00 38.29 O +ATOM 1541 CB GLU A 224 28.152 54.899 41.273 1.00 40.88 C +ATOM 1542 CG GLU A 224 27.090 55.943 41.637 1.00 44.92 C +ATOM 1543 CD GLU A 224 27.718 57.310 41.834 1.00 53.70 C +ATOM 1544 OE1 GLU A 224 28.538 57.681 40.959 1.00 58.18 O +ATOM 1545 OE2 GLU A 224 27.395 57.982 42.830 1.00 55.96 O +ATOM 1546 N PHE A 225 27.103 53.191 38.850 1.00 37.41 N +ATOM 1547 CA PHE A 225 26.191 53.055 37.697 1.00 35.78 C +ATOM 1548 C PHE A 225 25.226 51.913 37.953 1.00 38.10 C +ATOM 1549 O PHE A 225 24.002 52.002 37.857 1.00 36.99 O +ATOM 1550 CB PHE A 225 27.026 52.819 36.424 1.00 37.20 C +ATOM 1551 CG PHE A 225 26.258 52.274 35.251 1.00 37.63 C +ATOM 1552 CD1 PHE A 225 25.377 53.086 34.551 1.00 36.60 C +ATOM 1553 CD2 PHE A 225 26.417 50.965 34.831 1.00 32.47 C +ATOM 1554 CE1 PHE A 225 24.665 52.607 33.469 1.00 35.55 C +ATOM 1555 CE2 PHE A 225 25.707 50.480 33.749 1.00 39.09 C +ATOM 1556 CZ PHE A 225 24.817 51.294 33.067 1.00 37.69 C +ATOM 1557 N TYR A 226 25.781 50.761 38.368 1.00 37.98 N +ATOM 1558 CA TYR A 226 24.952 49.597 38.648 1.00 40.52 C +ATOM 1559 C TYR A 226 23.929 49.856 39.755 1.00 41.15 C +ATOM 1560 O TYR A 226 22.838 49.288 39.686 1.00 44.22 O +ATOM 1561 CB TYR A 226 25.818 48.423 39.077 1.00 38.46 C +ATOM 1562 CG TYR A 226 26.574 47.751 37.963 1.00 36.65 C +ATOM 1563 CD1 TYR A 226 27.810 47.176 38.196 1.00 35.46 C +ATOM 1564 CD2 TYR A 226 26.011 47.671 36.681 1.00 36.41 C +ATOM 1565 CE1 TYR A 226 28.491 46.532 37.174 1.00 34.83 C +ATOM 1566 CE2 TYR A 226 26.694 47.046 35.662 1.00 34.50 C +ATOM 1567 CZ TYR A 226 27.917 46.481 35.917 1.00 33.10 C +ATOM 1568 OH TYR A 226 28.594 45.838 34.917 1.00 38.68 O +ATOM 1569 N LEU A 227 24.322 50.615 40.750 1.00 43.45 N +ATOM 1570 CA LEU A 227 23.432 50.962 41.856 1.00 47.03 C +ATOM 1571 C LEU A 227 22.465 52.082 41.435 1.00 50.11 C +ATOM 1572 O LEU A 227 21.246 51.863 41.473 1.00 52.97 O +ATOM 1573 CB LEU A 227 24.248 51.447 43.057 1.00 43.37 C +ATOM 1574 CG LEU A 227 24.934 50.345 43.867 1.00 41.56 C +ATOM 1575 CD1 LEU A 227 25.877 50.932 44.904 1.00 45.74 C +ATOM 1576 CD2 LEU A 227 23.880 49.452 44.521 1.00 41.44 C +TER 1577 LEU A 227 +ATOM 1578 N LEU B 6 53.266 49.350 5.788 1.00 34.65 N +ATOM 1579 CA LEU B 6 52.740 49.545 7.151 1.00 36.47 C +ATOM 1580 C LEU B 6 51.220 49.391 7.169 1.00 35.22 C +ATOM 1581 O LEU B 6 50.587 49.422 8.237 1.00 31.61 O +ATOM 1582 CB LEU B 6 53.106 50.946 7.609 1.00 43.10 C +ATOM 1583 CG LEU B 6 53.816 51.131 8.932 1.00 46.53 C +ATOM 1584 CD1 LEU B 6 54.917 50.105 9.152 1.00 45.98 C +ATOM 1585 CD2 LEU B 6 54.399 52.540 9.007 1.00 48.39 C +ATOM 1586 N ASP B 7 50.636 49.300 5.985 1.00 32.75 N +ATOM 1587 CA ASP B 7 49.203 49.161 5.840 1.00 33.58 C +ATOM 1588 C ASP B 7 48.706 47.897 6.576 1.00 29.96 C +ATOM 1589 O ASP B 7 49.301 46.850 6.432 1.00 32.90 O +ATOM 1590 CB ASP B 7 48.735 48.989 4.403 1.00 35.47 C +ATOM 1591 CG ASP B 7 48.942 50.180 3.502 1.00 41.16 C +ATOM 1592 OD1 ASP B 7 49.412 51.219 3.983 1.00 39.68 O +ATOM 1593 OD2 ASP B 7 48.613 50.032 2.295 1.00 41.21 O +ATOM 1594 N VAL B 8 47.574 48.070 7.217 1.00 26.70 N +ATOM 1595 CA VAL B 8 46.904 46.964 7.929 1.00 23.54 C +ATOM 1596 C VAL B 8 45.450 46.967 7.442 1.00 21.15 C +ATOM 1597 O VAL B 8 44.889 47.990 7.089 1.00 22.45 O +ATOM 1598 CB VAL B 8 46.928 47.210 9.456 1.00 24.17 C +ATOM 1599 CG1 VAL B 8 45.927 46.326 10.199 1.00 26.06 C +ATOM 1600 CG2 VAL B 8 48.346 46.955 9.992 1.00 29.09 C +ATOM 1601 N CYS B 9 44.919 45.757 7.266 1.00 20.85 N +ATOM 1602 CA CYS B 9 43.519 45.622 6.885 1.00 19.98 C +ATOM 1603 C CYS B 9 42.842 44.895 8.082 1.00 20.20 C +ATOM 1604 O CYS B 9 43.473 43.967 8.580 1.00 20.94 O +ATOM 1605 CB CYS B 9 43.379 44.690 5.677 1.00 21.42 C +ATOM 1606 SG CYS B 9 41.676 44.576 5.078 1.00 23.54 S +ATOM 1607 N ALA B 10 41.674 45.359 8.453 1.00 19.39 N +ATOM 1608 CA ALA B 10 40.958 44.662 9.547 1.00 17.39 C +ATOM 1609 C ALA B 10 39.814 43.854 8.871 1.00 17.39 C +ATOM 1610 O ALA B 10 39.320 44.201 7.820 1.00 18.81 O +ATOM 1611 CB ALA B 10 40.334 45.659 10.494 1.00 18.88 C +ATOM 1612 N VAL B 11 39.458 42.778 9.564 1.00 16.46 N +ATOM 1613 CA VAL B 11 38.380 41.916 9.108 1.00 17.83 C +ATOM 1614 C VAL B 11 37.408 41.788 10.319 1.00 17.32 C +ATOM 1615 O VAL B 11 37.858 41.422 11.408 1.00 19.28 O +ATOM 1616 CB VAL B 11 38.858 40.538 8.731 1.00 16.86 C +ATOM 1617 CG1 VAL B 11 37.720 39.559 8.410 1.00 18.83 C +ATOM 1618 CG2 VAL B 11 39.830 40.589 7.521 1.00 18.79 C +ATOM 1619 N VAL B 12 36.157 42.055 10.048 1.00 16.90 N +ATOM 1620 CA VAL B 12 35.144 41.904 11.117 1.00 18.89 C +ATOM 1621 C VAL B 12 34.155 40.829 10.674 1.00 22.42 C +ATOM 1622 O VAL B 12 33.369 41.088 9.757 1.00 23.34 O +ATOM 1623 CB VAL B 12 34.390 43.230 11.311 1.00 20.44 C +ATOM 1624 CG1 VAL B 12 33.257 43.014 12.350 1.00 21.90 C +ATOM 1625 CG2 VAL B 12 35.359 44.313 11.806 1.00 20.65 C +ATOM 1626 N PRO B 13 34.189 39.638 11.263 1.00 23.03 N +ATOM 1627 CA PRO B 13 33.236 38.579 10.910 1.00 24.23 C +ATOM 1628 C PRO B 13 31.881 39.050 11.464 1.00 27.74 C +ATOM 1629 O PRO B 13 31.787 39.487 12.623 1.00 30.42 O +ATOM 1630 CB PRO B 13 33.753 37.365 11.628 1.00 27.86 C +ATOM 1631 CG PRO B 13 35.093 37.704 12.167 1.00 25.46 C +ATOM 1632 CD PRO B 13 35.127 39.222 12.315 1.00 22.48 C +ATOM 1633 N ALA B 14 30.877 39.159 10.615 1.00 26.38 N +ATOM 1634 CA ALA B 14 29.571 39.682 11.021 1.00 28.36 C +ATOM 1635 C ALA B 14 28.419 38.841 10.490 1.00 30.70 C +ATOM 1636 O ALA B 14 27.418 39.345 9.988 1.00 30.06 O +ATOM 1637 CB ALA B 14 29.459 41.131 10.516 1.00 29.56 C +ATOM 1638 N ALA B 15 28.627 37.526 10.458 1.00 28.78 N +ATOM 1639 CA ALA B 15 27.606 36.602 9.970 1.00 33.45 C +ATOM 1640 C ALA B 15 26.401 36.548 10.895 1.00 33.01 C +ATOM 1641 O ALA B 15 26.450 37.035 12.019 1.00 34.81 O +ATOM 1642 CB ALA B 15 28.195 35.182 9.905 1.00 33.81 C +ATOM 1643 N GLY B 16 25.317 35.896 10.437 1.00 35.85 N +ATOM 1644 CA GLY B 16 24.164 35.742 11.305 1.00 35.80 C +ATOM 1645 C GLY B 16 22.880 36.341 10.863 1.00 39.68 C +ATOM 1646 O GLY B 16 21.799 36.009 11.415 1.00 39.03 O +ATOM 1647 N PHE B 17 22.880 37.268 9.913 1.00 40.20 N +ATOM 1648 CA PHE B 17 21.638 37.910 9.503 1.00 42.13 C +ATOM 1649 C PHE B 17 21.220 37.606 8.092 1.00 42.92 C +ATOM 1650 O PHE B 17 20.513 38.419 7.473 1.00 42.94 O +ATOM 1651 CB PHE B 17 21.737 39.425 9.738 1.00 43.99 C +ATOM 1652 CG PHE B 17 21.490 39.776 11.185 1.00 47.48 C +ATOM 1653 CD1 PHE B 17 22.517 39.665 12.107 1.00 49.75 C +ATOM 1654 CD2 PHE B 17 20.251 40.210 11.603 1.00 49.16 C +ATOM 1655 CE1 PHE B 17 22.306 39.968 13.433 1.00 49.87 C +ATOM 1656 CE2 PHE B 17 20.035 40.544 12.936 1.00 52.04 C +ATOM 1657 CZ PHE B 17 21.061 40.412 13.843 1.00 51.89 C +ATOM 1658 N GLY B 18 21.570 36.440 7.580 1.00 42.78 N +ATOM 1659 CA GLY B 18 21.178 36.067 6.214 1.00 44.54 C +ATOM 1660 C GLY B 18 20.113 34.960 6.283 1.00 45.01 C +ATOM 1661 O GLY B 18 19.445 34.884 7.331 1.00 43.79 O +ATOM 1662 N PRO B 26 23.109 37.243 17.040 1.00 42.66 N +ATOM 1663 CA PRO B 26 24.209 38.196 17.243 1.00 41.94 C +ATOM 1664 C PRO B 26 23.636 39.573 17.518 1.00 40.44 C +ATOM 1665 O PRO B 26 22.576 39.936 17.000 1.00 39.74 O +ATOM 1666 CB PRO B 26 25.023 38.140 15.970 1.00 42.32 C +ATOM 1667 CG PRO B 26 24.646 36.856 15.315 1.00 42.41 C +ATOM 1668 CD PRO B 26 23.182 36.661 15.670 1.00 42.80 C +ATOM 1669 N LYS B 27 24.330 40.323 18.374 1.00 37.83 N +ATOM 1670 CA LYS B 27 23.822 41.635 18.783 1.00 36.03 C +ATOM 1671 C LYS B 27 24.547 42.795 18.156 1.00 34.79 C +ATOM 1672 O LYS B 27 24.419 43.922 18.644 1.00 35.28 O +ATOM 1673 CB LYS B 27 23.993 41.693 20.332 1.00 40.46 C +ATOM 1674 CG LYS B 27 23.415 40.432 21.009 1.00 36.35 C +ATOM 1675 N GLN B 28 25.157 42.600 16.979 1.00 32.30 N +ATOM 1676 CA GLN B 28 25.886 43.674 16.321 1.00 32.03 C +ATOM 1677 C GLN B 28 25.015 44.804 15.837 1.00 31.17 C +ATOM 1678 O GLN B 28 25.487 45.906 15.564 1.00 30.19 O +ATOM 1679 CB GLN B 28 26.712 43.131 15.126 1.00 30.95 C +ATOM 1680 CG GLN B 28 25.837 42.653 13.968 1.00 36.94 C +ATOM 1681 CD GLN B 28 26.438 41.523 13.168 1.00 42.25 C +ATOM 1682 OE1 GLN B 28 27.080 40.623 13.693 1.00 43.75 O +ATOM 1683 NE2 GLN B 28 26.254 41.554 11.838 1.00 44.18 N +ATOM 1684 N TYR B 29 23.714 44.533 15.623 1.00 30.47 N +ATOM 1685 CA TYR B 29 22.833 45.549 15.116 1.00 32.83 C +ATOM 1686 C TYR B 29 22.042 46.282 16.197 1.00 33.41 C +ATOM 1687 O TYR B 29 21.137 47.037 15.790 1.00 34.90 O +ATOM 1688 CB TYR B 29 21.934 45.034 13.994 1.00 32.93 C +ATOM 1689 CG TYR B 29 22.703 44.660 12.743 1.00 31.19 C +ATOM 1690 CD1 TYR B 29 22.659 43.382 12.223 1.00 34.21 C +ATOM 1691 CD2 TYR B 29 23.519 45.600 12.101 1.00 32.52 C +ATOM 1692 CE1 TYR B 29 23.356 43.034 11.062 1.00 32.61 C +ATOM 1693 CE2 TYR B 29 24.221 45.252 10.971 1.00 34.30 C +ATOM 1694 CZ TYR B 29 24.123 43.992 10.444 1.00 34.84 C +ATOM 1695 OH TYR B 29 24.840 43.664 9.308 1.00 37.45 O +ATOM 1696 N LEU B 30 22.316 46.004 17.438 1.00 34.38 N +ATOM 1697 CA LEU B 30 21.753 46.745 18.583 1.00 35.93 C +ATOM 1698 C LEU B 30 22.422 48.134 18.556 1.00 36.79 C +ATOM 1699 O LEU B 30 23.527 48.246 18.007 1.00 33.98 O +ATOM 1700 CB LEU B 30 22.168 46.052 19.887 1.00 38.48 C +ATOM 1701 CG LEU B 30 21.258 44.968 20.440 1.00 40.55 C +ATOM 1702 CD1 LEU B 30 21.922 44.154 21.536 1.00 40.62 C +ATOM 1703 CD2 LEU B 30 19.976 45.609 20.989 1.00 44.78 C +ATOM 1704 N SER B 31 21.775 49.188 19.019 1.00 37.28 N +ATOM 1705 CA SER B 31 22.363 50.516 18.992 1.00 35.72 C +ATOM 1706 C SER B 31 22.797 51.006 20.377 1.00 34.63 C +ATOM 1707 O SER B 31 22.351 50.497 21.413 1.00 35.91 O +ATOM 1708 CB SER B 31 21.391 51.529 18.382 1.00 33.54 C +ATOM 1709 OG SER B 31 21.317 51.459 16.976 1.00 37.48 O +ATOM 1710 N ILE B 32 23.803 51.844 20.409 1.00 32.30 N +ATOM 1711 CA ILE B 32 24.343 52.544 21.547 1.00 30.11 C +ATOM 1712 C ILE B 32 24.440 54.018 21.053 1.00 30.50 C +ATOM 1713 O ILE B 32 25.189 54.320 20.125 1.00 25.21 O +ATOM 1714 CB ILE B 32 25.668 52.129 22.130 1.00 27.87 C +ATOM 1715 CG1 ILE B 32 25.611 50.723 22.762 1.00 32.71 C +ATOM 1716 CG2 ILE B 32 26.163 53.127 23.178 1.00 29.02 C +ATOM 1717 CD1 ILE B 32 27.021 50.157 22.948 1.00 32.54 C +ATOM 1718 N GLY B 33 23.584 54.848 21.625 1.00 29.45 N +ATOM 1719 CA GLY B 33 23.583 56.265 21.166 1.00 31.78 C +ATOM 1720 C GLY B 33 22.931 56.280 19.767 1.00 33.50 C +ATOM 1721 O GLY B 33 21.928 55.585 19.586 1.00 36.28 O +ATOM 1722 N ASN B 34 23.572 56.903 18.826 1.00 32.70 N +ATOM 1723 CA ASN B 34 23.191 57.074 17.461 1.00 36.43 C +ATOM 1724 C ASN B 34 23.789 56.062 16.474 1.00 32.99 C +ATOM 1725 O ASN B 34 23.590 56.248 15.265 1.00 32.77 O +ATOM 1726 CB ASN B 34 23.594 58.492 16.964 1.00 37.42 C +ATOM 1727 CG ASN B 34 25.048 58.717 16.741 1.00 42.78 C +ATOM 1728 OD1 ASN B 34 25.941 57.884 16.925 1.00 47.46 O +ATOM 1729 ND2 ASN B 34 25.434 59.928 16.282 1.00 45.13 N +ATOM 1730 N GLN B 35 24.577 55.121 16.940 1.00 30.70 N +ATOM 1731 CA GLN B 35 25.184 54.117 16.037 1.00 32.90 C +ATOM 1732 C GLN B 35 24.917 52.701 16.476 1.00 28.20 C +ATOM 1733 O GLN B 35 24.781 52.472 17.675 1.00 30.55 O +ATOM 1734 CB GLN B 35 26.748 54.298 16.183 1.00 28.78 C +ATOM 1735 CG GLN B 35 27.241 55.487 15.361 1.00 35.93 C +ATOM 1736 CD GLN B 35 28.755 55.635 15.554 1.00 37.59 C +ATOM 1737 OE1 GLN B 35 29.272 56.737 15.520 1.00 47.01 O +ATOM 1738 NE2 GLN B 35 29.427 54.524 15.786 1.00 36.61 N +ATOM 1739 N THR B 36 25.004 51.726 15.555 1.00 26.33 N +ATOM 1740 CA THR B 36 24.871 50.331 15.961 1.00 26.08 C +ATOM 1741 C THR B 36 26.212 49.903 16.623 1.00 23.49 C +ATOM 1742 O THR B 36 27.222 50.555 16.353 1.00 23.56 O +ATOM 1743 CB THR B 36 24.660 49.374 14.781 1.00 30.73 C +ATOM 1744 OG1 THR B 36 25.800 49.484 13.885 1.00 30.54 O +ATOM 1745 CG2 THR B 36 23.389 49.747 14.018 1.00 29.21 C +ATOM 1746 N ILE B 37 26.193 48.818 17.328 1.00 22.33 N +ATOM 1747 CA ILE B 37 27.408 48.286 17.976 1.00 24.46 C +ATOM 1748 C ILE B 37 28.461 47.987 16.926 1.00 21.85 C +ATOM 1749 O ILE B 37 29.644 48.293 17.094 1.00 21.85 O +ATOM 1750 CB ILE B 37 27.056 46.996 18.752 1.00 27.68 C +ATOM 1751 CG1 ILE B 37 26.370 47.447 20.078 1.00 29.53 C +ATOM 1752 CG2 ILE B 37 28.256 46.144 19.055 1.00 25.35 C +ATOM 1753 CD1 ILE B 37 25.711 46.239 20.756 1.00 33.23 C +ATOM 1754 N LEU B 38 27.987 47.424 15.796 1.00 22.66 N +ATOM 1755 CA LEU B 38 28.972 47.132 14.721 1.00 20.81 C +ATOM 1756 C LEU B 38 29.604 48.420 14.262 1.00 22.58 C +ATOM 1757 O LEU B 38 30.825 48.471 14.020 1.00 21.07 O +ATOM 1758 CB LEU B 38 28.271 46.406 13.575 1.00 23.78 C +ATOM 1759 CG LEU B 38 29.064 46.247 12.275 1.00 26.94 C +ATOM 1760 CD1 LEU B 38 30.208 45.273 12.476 1.00 25.40 C +ATOM 1761 CD2 LEU B 38 28.127 45.726 11.168 1.00 27.31 C +ATOM 1762 N GLU B 39 28.862 49.529 14.131 1.00 20.86 N +ATOM 1763 CA GLU B 39 29.499 50.788 13.718 1.00 21.35 C +ATOM 1764 C GLU B 39 30.470 51.310 14.757 1.00 21.45 C +ATOM 1765 O GLU B 39 31.549 51.813 14.393 1.00 22.51 O +ATOM 1766 CB GLU B 39 28.393 51.837 13.442 1.00 23.81 C +ATOM 1767 CG GLU B 39 27.649 51.373 12.151 1.00 25.25 C +ATOM 1768 CD GLU B 39 26.450 52.324 11.899 1.00 26.70 C +ATOM 1769 OE1 GLU B 39 26.618 53.153 11.020 1.00 31.50 O +ATOM 1770 OE2 GLU B 39 25.445 52.148 12.599 1.00 26.34 O +ATOM 1771 N HIS B 40 30.140 51.172 16.039 1.00 18.33 N +ATOM 1772 CA HIS B 40 31.096 51.619 17.071 1.00 19.74 C +ATOM 1773 C HIS B 40 32.391 50.775 16.960 1.00 21.29 C +ATOM 1774 O HIS B 40 33.502 51.316 17.063 1.00 20.72 O +ATOM 1775 CB HIS B 40 30.509 51.432 18.467 1.00 19.27 C +ATOM 1776 CG HIS B 40 29.468 52.469 18.851 1.00 22.68 C +ATOM 1777 ND1 HIS B 40 29.802 53.728 19.262 1.00 26.80 N +ATOM 1778 CD2 HIS B 40 28.134 52.360 18.958 1.00 22.57 C +ATOM 1779 CE1 HIS B 40 28.690 54.380 19.621 1.00 26.28 C +ATOM 1780 NE2 HIS B 40 27.676 53.568 19.453 1.00 24.27 N +ATOM 1781 N SER B 41 32.235 49.478 16.746 1.00 20.83 N +ATOM 1782 CA SER B 41 33.378 48.573 16.651 1.00 21.25 C +ATOM 1783 C SER B 41 34.229 48.929 15.448 1.00 21.11 C +ATOM 1784 O SER B 41 35.451 49.002 15.565 1.00 21.51 O +ATOM 1785 CB SER B 41 32.976 47.103 16.564 1.00 19.97 C +ATOM 1786 OG SER B 41 32.165 46.744 17.652 1.00 23.99 O +ATOM 1787 N VAL B 42 33.581 49.268 14.316 1.00 19.83 N +ATOM 1788 CA VAL B 42 34.397 49.587 13.128 1.00 21.49 C +ATOM 1789 C VAL B 42 35.083 50.918 13.254 1.00 23.39 C +ATOM 1790 O VAL B 42 36.278 51.068 12.875 1.00 21.62 O +ATOM 1791 CB VAL B 42 33.526 49.504 11.860 1.00 26.36 C +ATOM 1792 CG1 VAL B 42 34.220 50.038 10.624 1.00 25.27 C +ATOM 1793 CG2 VAL B 42 33.099 48.041 11.644 1.00 24.57 C +ATOM 1794 N HIS B 43 34.412 51.926 13.820 1.00 21.55 N +ATOM 1795 CA HIS B 43 35.061 53.232 13.967 1.00 23.98 C +ATOM 1796 C HIS B 43 36.214 53.102 14.970 1.00 20.94 C +ATOM 1797 O HIS B 43 37.186 53.833 14.808 1.00 22.32 O +ATOM 1798 CB HIS B 43 34.119 54.336 14.410 1.00 26.56 C +ATOM 1799 CG HIS B 43 33.215 54.797 13.279 1.00 30.42 C +ATOM 1800 ND1 HIS B 43 33.685 55.384 12.120 1.00 29.69 N +ATOM 1801 CD2 HIS B 43 31.871 54.711 13.168 1.00 31.88 C +ATOM 1802 CE1 HIS B 43 32.643 55.613 11.321 1.00 30.27 C +ATOM 1803 NE2 HIS B 43 31.535 55.236 11.937 1.00 28.58 N +ATOM 1804 N ALA B 44 36.122 52.205 15.934 1.00 21.33 N +ATOM 1805 CA ALA B 44 37.248 52.014 16.883 1.00 19.16 C +ATOM 1806 C ALA B 44 38.486 51.498 16.145 1.00 21.05 C +ATOM 1807 O ALA B 44 39.611 51.942 16.458 1.00 20.29 O +ATOM 1808 CB ALA B 44 36.847 51.027 17.978 1.00 18.65 C +ATOM 1809 N LEU B 45 38.296 50.656 15.121 1.00 18.67 N +ATOM 1810 CA LEU B 45 39.406 50.156 14.321 1.00 18.70 C +ATOM 1811 C LEU B 45 39.988 51.264 13.430 1.00 20.43 C +ATOM 1812 O LEU B 45 41.200 51.272 13.173 1.00 22.88 O +ATOM 1813 CB LEU B 45 38.941 49.001 13.390 1.00 18.84 C +ATOM 1814 CG LEU B 45 38.463 47.740 14.171 1.00 20.67 C +ATOM 1815 CD1 LEU B 45 37.632 46.849 13.246 1.00 21.06 C +ATOM 1816 CD2 LEU B 45 39.630 46.985 14.747 1.00 21.13 C +ATOM 1817 N LEU B 46 39.144 52.132 12.898 1.00 19.84 N +ATOM 1818 CA LEU B 46 39.601 53.214 12.028 1.00 21.39 C +ATOM 1819 C LEU B 46 40.319 54.348 12.766 1.00 18.37 C +ATOM 1820 O LEU B 46 40.899 55.229 12.110 1.00 22.07 O +ATOM 1821 CB LEU B 46 38.390 53.800 11.278 1.00 20.68 C +ATOM 1822 CG LEU B 46 37.793 52.883 10.210 1.00 24.05 C +ATOM 1823 CD1 LEU B 46 36.496 53.443 9.677 1.00 28.76 C +ATOM 1824 CD2 LEU B 46 38.811 52.616 9.119 1.00 24.56 C +ATOM 1825 N ALA B 47 40.377 54.349 14.091 1.00 22.34 N +ATOM 1826 CA ALA B 47 41.103 55.389 14.815 1.00 20.00 C +ATOM 1827 C ALA B 47 42.607 55.376 14.514 1.00 20.88 C +ATOM 1828 O ALA B 47 43.228 56.443 14.691 1.00 23.22 O +ATOM 1829 CB ALA B 47 40.939 55.250 16.316 1.00 20.85 C +ATOM 1830 N HIS B 48 43.204 54.252 14.253 1.00 19.42 N +ATOM 1831 CA HIS B 48 44.628 54.161 13.956 1.00 20.87 C +ATOM 1832 C HIS B 48 44.879 54.363 12.469 1.00 21.95 C +ATOM 1833 O HIS B 48 44.382 53.593 11.628 1.00 22.87 O +ATOM 1834 CB HIS B 48 45.204 52.825 14.394 1.00 23.62 C +ATOM 1835 CG HIS B 48 46.698 52.826 14.554 1.00 22.62 C +ATOM 1836 ND1 HIS B 48 47.597 52.975 13.518 1.00 25.72 N +ATOM 1837 CD2 HIS B 48 47.447 52.733 15.683 1.00 25.64 C +ATOM 1838 CE1 HIS B 48 48.820 52.956 13.978 1.00 23.84 C +ATOM 1839 NE2 HIS B 48 48.764 52.783 15.313 1.00 23.56 N +ATOM 1840 N PRO B 49 45.764 55.298 12.120 1.00 22.01 N +ATOM 1841 CA PRO B 49 46.048 55.574 10.715 1.00 23.77 C +ATOM 1842 C PRO B 49 46.649 54.468 9.929 1.00 24.95 C +ATOM 1843 O PRO B 49 46.473 54.458 8.669 1.00 23.89 O +ATOM 1844 CB PRO B 49 46.928 56.840 10.771 1.00 26.77 C +ATOM 1845 CG PRO B 49 47.528 56.812 12.115 1.00 26.50 C +ATOM 1846 CD PRO B 49 46.476 56.202 13.040 1.00 23.79 C +ATOM 1847 N ARG B 50 47.201 53.405 10.516 1.00 24.13 N +ATOM 1848 CA ARG B 50 47.728 52.282 9.766 1.00 23.23 C +ATOM 1849 C ARG B 50 46.594 51.417 9.204 1.00 23.17 C +ATOM 1850 O ARG B 50 46.859 50.653 8.281 1.00 23.13 O +ATOM 1851 CB ARG B 50 48.638 51.346 10.561 1.00 24.15 C +ATOM 1852 CG ARG B 50 50.044 51.886 10.738 1.00 29.30 C +ATOM 1853 CD ARG B 50 50.913 50.975 11.555 1.00 28.77 C +ATOM 1854 NE ARG B 50 51.073 49.639 10.993 1.00 29.11 N +ATOM 1855 CZ ARG B 50 51.549 48.605 11.661 1.00 27.83 C +ATOM 1856 NH1 ARG B 50 51.931 48.715 12.938 1.00 27.92 N +ATOM 1857 NH2 ARG B 50 51.652 47.428 11.046 1.00 30.32 N +ATOM 1858 N VAL B 51 45.428 51.484 9.848 1.00 23.93 N +ATOM 1859 CA VAL B 51 44.301 50.651 9.351 1.00 20.52 C +ATOM 1860 C VAL B 51 43.746 51.347 8.127 1.00 21.26 C +ATOM 1861 O VAL B 51 43.135 52.419 8.184 1.00 22.63 O +ATOM 1862 CB VAL B 51 43.216 50.539 10.451 1.00 19.37 C +ATOM 1863 CG1 VAL B 51 42.055 49.707 9.903 1.00 21.69 C +ATOM 1864 CG2 VAL B 51 43.833 49.883 11.677 1.00 17.12 C +ATOM 1865 N LYS B 52 43.974 50.727 6.977 1.00 22.49 N +ATOM 1866 CA LYS B 52 43.539 51.385 5.726 1.00 23.73 C +ATOM 1867 C LYS B 52 42.180 50.928 5.265 1.00 24.46 C +ATOM 1868 O LYS B 52 41.606 51.528 4.334 1.00 21.72 O +ATOM 1869 CB LYS B 52 44.563 50.921 4.643 1.00 28.42 C +ATOM 1870 CG LYS B 52 45.979 51.289 4.947 1.00 34.28 C +ATOM 1871 CD LYS B 52 46.212 52.707 5.397 1.00 39.18 C +ATOM 1872 CE LYS B 52 47.732 52.975 5.437 1.00 39.58 C +ATOM 1873 NZ LYS B 52 48.030 54.223 6.193 1.00 45.12 N +ATOM 1874 N ARG B 53 41.779 49.746 5.739 1.00 21.15 N +ATOM 1875 CA ARG B 53 40.493 49.221 5.234 1.00 21.80 C +ATOM 1876 C ARG B 53 39.859 48.288 6.264 1.00 19.79 C +ATOM 1877 O ARG B 53 40.582 47.734 7.091 1.00 21.07 O +ATOM 1878 CB ARG B 53 40.873 48.408 3.967 1.00 25.17 C +ATOM 1879 CG ARG B 53 40.037 47.212 3.659 1.00 35.79 C +ATOM 1880 CD ARG B 53 39.867 47.037 2.136 1.00 41.49 C +ATOM 1881 NE ARG B 53 38.736 47.875 1.764 1.00 45.37 N +ATOM 1882 CZ ARG B 53 38.804 49.124 1.286 1.00 36.97 C +ATOM 1883 NH1 ARG B 53 39.966 49.680 1.109 1.00 42.60 N +ATOM 1884 NH2 ARG B 53 37.640 49.740 1.102 1.00 24.65 N +ATOM 1885 N VAL B 54 38.544 48.272 6.296 1.00 19.50 N +ATOM 1886 CA VAL B 54 37.836 47.315 7.175 1.00 18.26 C +ATOM 1887 C VAL B 54 36.912 46.476 6.271 1.00 18.56 C +ATOM 1888 O VAL B 54 36.034 47.010 5.581 1.00 21.75 O +ATOM 1889 CB VAL B 54 37.068 47.954 8.322 1.00 18.59 C +ATOM 1890 CG1 VAL B 54 36.502 46.847 9.217 1.00 19.91 C +ATOM 1891 CG2 VAL B 54 37.954 48.856 9.174 1.00 19.45 C +ATOM 1892 N VAL B 55 37.158 45.182 6.252 1.00 20.17 N +ATOM 1893 CA VAL B 55 36.389 44.235 5.457 1.00 17.21 C +ATOM 1894 C VAL B 55 35.354 43.606 6.401 1.00 21.05 C +ATOM 1895 O VAL B 55 35.759 42.980 7.389 1.00 20.41 O +ATOM 1896 CB VAL B 55 37.274 43.169 4.845 1.00 18.27 C +ATOM 1897 CG1 VAL B 55 36.393 42.213 3.978 1.00 21.12 C +ATOM 1898 CG2 VAL B 55 38.306 43.763 3.886 1.00 18.88 C +ATOM 1899 N ILE B 56 34.084 43.772 6.102 1.00 19.52 N +ATOM 1900 CA ILE B 56 33.027 43.201 6.935 1.00 19.01 C +ATOM 1901 C ILE B 56 32.447 41.975 6.202 1.00 20.58 C +ATOM 1902 O ILE B 56 32.038 42.109 5.065 1.00 20.38 O +ATOM 1903 CB ILE B 56 31.888 44.238 7.114 1.00 23.17 C +ATOM 1904 CG1 ILE B 56 32.432 45.587 7.577 1.00 28.26 C +ATOM 1905 CG2 ILE B 56 30.849 43.693 8.084 1.00 22.69 C +ATOM 1906 CD1 ILE B 56 32.887 45.670 8.971 1.00 33.18 C +ATOM 1907 N ALA B 57 32.514 40.812 6.842 1.00 19.98 N +ATOM 1908 CA ALA B 57 32.018 39.594 6.173 1.00 20.55 C +ATOM 1909 C ALA B 57 30.625 39.304 6.687 1.00 22.79 C +ATOM 1910 O ALA B 57 30.462 38.992 7.863 1.00 22.87 O +ATOM 1911 CB ALA B 57 33.014 38.464 6.375 1.00 22.34 C +ATOM 1912 N ILE B 58 29.622 39.458 5.812 1.00 22.52 N +ATOM 1913 CA ILE B 58 28.232 39.244 6.257 1.00 24.44 C +ATOM 1914 C ILE B 58 27.689 37.956 5.654 1.00 27.68 C +ATOM 1915 O ILE B 58 28.315 37.369 4.772 1.00 26.36 O +ATOM 1916 CB ILE B 58 27.350 40.431 5.849 1.00 27.52 C +ATOM 1917 CG1 ILE B 58 27.346 40.601 4.322 1.00 30.05 C +ATOM 1918 CG2 ILE B 58 27.814 41.718 6.519 1.00 29.51 C +ATOM 1919 CD1 ILE B 58 26.384 41.656 3.800 1.00 33.80 C +ATOM 1920 N SER B 59 26.577 37.438 6.225 1.00 27.14 N +ATOM 1921 CA SER B 59 26.026 36.210 5.675 1.00 28.80 C +ATOM 1922 C SER B 59 25.216 36.480 4.393 1.00 28.41 C +ATOM 1923 O SER B 59 24.535 37.478 4.307 1.00 29.47 O +ATOM 1924 CB SER B 59 24.992 35.575 6.673 1.00 28.55 C +ATOM 1925 OG SER B 59 25.748 35.116 7.796 1.00 29.80 O +ATOM 1926 N PRO B 60 25.298 35.542 3.476 1.00 31.12 N +ATOM 1927 CA PRO B 60 24.523 35.671 2.225 1.00 34.31 C +ATOM 1928 C PRO B 60 23.075 35.928 2.631 1.00 32.77 C +ATOM 1929 O PRO B 60 22.578 35.257 3.547 1.00 35.62 O +ATOM 1930 CB PRO B 60 24.693 34.318 1.568 1.00 34.78 C +ATOM 1931 CG PRO B 60 25.993 33.792 2.090 1.00 34.27 C +ATOM 1932 CD PRO B 60 26.142 34.349 3.483 1.00 32.87 C +ATOM 1933 N GLY B 61 22.470 36.991 2.149 1.00 35.12 N +ATOM 1934 CA GLY B 61 21.066 37.271 2.505 1.00 36.41 C +ATOM 1935 C GLY B 61 20.917 38.381 3.494 1.00 36.13 C +ATOM 1936 O GLY B 61 19.805 38.782 3.886 1.00 35.82 O +ATOM 1937 N ASP B 62 22.053 38.825 4.077 1.00 34.90 N +ATOM 1938 CA ASP B 62 21.965 39.917 5.058 1.00 34.84 C +ATOM 1939 C ASP B 62 21.699 41.223 4.313 1.00 36.27 C +ATOM 1940 O ASP B 62 22.483 41.610 3.459 1.00 34.97 O +ATOM 1941 CB ASP B 62 23.271 40.007 5.854 1.00 32.56 C +ATOM 1942 CG ASP B 62 23.361 41.137 6.830 1.00 36.12 C +ATOM 1943 OD1 ASP B 62 22.673 42.156 6.608 1.00 38.63 O +ATOM 1944 OD2 ASP B 62 24.128 41.051 7.827 1.00 31.22 O +ATOM 1945 N SER B 63 20.519 41.806 4.548 1.00 35.72 N +ATOM 1946 CA SER B 63 20.218 43.092 3.902 1.00 35.95 C +ATOM 1947 C SER B 63 20.214 44.163 4.989 1.00 36.38 C +ATOM 1948 O SER B 63 19.828 45.305 4.771 1.00 36.97 O +ATOM 1949 CB SER B 63 18.852 43.041 3.203 1.00 38.17 C +ATOM 1950 OG SER B 63 17.886 42.489 4.121 1.00 39.51 O +ATOM 1951 N ARG B 64 20.631 43.777 6.206 1.00 35.68 N +ATOM 1952 CA ARG B 64 20.637 44.738 7.312 1.00 36.18 C +ATOM 1953 C ARG B 64 21.789 45.716 7.192 1.00 35.98 C +ATOM 1954 O ARG B 64 21.634 46.931 7.330 1.00 36.04 O +ATOM 1955 CB ARG B 64 20.699 44.002 8.657 1.00 40.15 C +ATOM 1956 N PHE B 65 22.986 45.184 6.907 1.00 32.78 N +ATOM 1957 CA PHE B 65 24.167 46.000 6.773 1.00 28.88 C +ATOM 1958 C PHE B 65 24.042 47.144 5.794 1.00 29.25 C +ATOM 1959 O PHE B 65 24.480 48.273 6.071 1.00 26.93 O +ATOM 1960 CB PHE B 65 25.394 45.118 6.372 1.00 28.93 C +ATOM 1961 CG PHE B 65 26.645 45.977 6.509 1.00 31.22 C +ATOM 1962 CD1 PHE B 65 27.224 46.150 7.750 1.00 30.85 C +ATOM 1963 CD2 PHE B 65 27.175 46.615 5.405 1.00 32.17 C +ATOM 1964 CE1 PHE B 65 28.332 46.964 7.884 1.00 30.39 C +ATOM 1965 CE2 PHE B 65 28.293 47.426 5.533 1.00 30.92 C +ATOM 1966 CZ PHE B 65 28.876 47.594 6.780 1.00 31.60 C +ATOM 1967 N ALA B 66 23.397 46.937 4.631 1.00 30.58 N +ATOM 1968 CA ALA B 66 23.225 47.940 3.623 1.00 31.33 C +ATOM 1969 C ALA B 66 22.420 49.160 4.065 1.00 32.51 C +ATOM 1970 O ALA B 66 22.515 50.201 3.418 1.00 34.99 O +ATOM 1971 CB ALA B 66 22.589 47.355 2.356 1.00 32.66 C +ATOM 1972 N GLN B 67 21.724 49.058 5.166 1.00 34.13 N +ATOM 1973 CA GLN B 67 20.907 50.087 5.759 1.00 35.53 C +ATOM 1974 C GLN B 67 21.680 51.047 6.632 1.00 35.88 C +ATOM 1975 O GLN B 67 21.222 52.151 6.928 1.00 36.13 O +ATOM 1976 CB GLN B 67 19.765 49.448 6.567 1.00 37.46 C +ATOM 1977 N LEU B 68 22.914 50.686 7.039 1.00 34.80 N +ATOM 1978 CA LEU B 68 23.686 51.566 7.877 1.00 33.90 C +ATOM 1979 C LEU B 68 24.395 52.681 7.137 1.00 32.52 C +ATOM 1980 O LEU B 68 24.927 52.538 6.019 1.00 32.68 O +ATOM 1981 CB LEU B 68 24.784 50.740 8.629 1.00 29.74 C +ATOM 1982 CG LEU B 68 24.302 49.473 9.306 1.00 32.12 C +ATOM 1983 CD1 LEU B 68 25.471 48.734 9.970 1.00 32.77 C +ATOM 1984 CD2 LEU B 68 23.227 49.767 10.341 1.00 33.07 C +ATOM 1985 N PRO B 69 24.630 53.788 7.845 1.00 31.80 N +ATOM 1986 CA PRO B 69 25.386 54.907 7.311 1.00 30.38 C +ATOM 1987 C PRO B 69 26.795 54.419 6.933 1.00 31.87 C +ATOM 1988 O PRO B 69 27.415 54.874 6.007 1.00 31.30 O +ATOM 1989 CB PRO B 69 25.497 55.859 8.503 1.00 33.71 C +ATOM 1990 CG PRO B 69 24.303 55.553 9.346 1.00 34.08 C +ATOM 1991 CD PRO B 69 24.101 54.056 9.198 1.00 32.98 C +ATOM 1992 N LEU B 70 27.303 53.448 7.717 1.00 31.64 N +ATOM 1993 CA LEU B 70 28.625 52.868 7.484 1.00 32.42 C +ATOM 1994 C LEU B 70 28.747 52.197 6.149 1.00 29.88 C +ATOM 1995 O LEU B 70 29.831 52.155 5.538 1.00 32.40 O +ATOM 1996 CB LEU B 70 28.937 51.842 8.608 1.00 29.83 C +ATOM 1997 CG LEU B 70 30.367 51.289 8.594 1.00 29.53 C +ATOM 1998 CD1 LEU B 70 31.364 52.357 9.017 1.00 29.81 C +ATOM 1999 CD2 LEU B 70 30.501 50.050 9.460 1.00 28.91 C +ATOM 2000 N ALA B 71 27.650 51.709 5.541 1.00 31.49 N +ATOM 2001 CA ALA B 71 27.753 51.061 4.232 1.00 31.82 C +ATOM 2002 C ALA B 71 28.280 51.976 3.145 1.00 34.60 C +ATOM 2003 O ALA B 71 28.764 51.499 2.105 1.00 34.87 O +ATOM 2004 CB ALA B 71 26.405 50.461 3.829 1.00 38.69 C +ATOM 2005 N ASN B 72 28.236 53.306 3.330 1.00 33.92 N +ATOM 2006 CA ASN B 72 28.785 54.192 2.295 1.00 34.78 C +ATOM 2007 C ASN B 72 30.160 54.708 2.660 1.00 31.24 C +ATOM 2008 O ASN B 72 30.707 55.589 1.998 1.00 31.21 O +ATOM 2009 CB ASN B 72 27.831 55.351 2.012 1.00 45.41 C +ATOM 2010 CG ASN B 72 26.562 54.905 1.312 1.00 50.80 C +ATOM 2011 OD1 ASN B 72 25.527 55.564 1.435 1.00 58.06 O +ATOM 2012 ND2 ASN B 72 26.623 53.791 0.593 1.00 53.59 N +ATOM 2013 N HIS B 73 30.815 54.145 3.682 1.00 29.41 N +ATOM 2014 CA HIS B 73 32.168 54.652 4.044 1.00 28.99 C +ATOM 2015 C HIS B 73 33.185 54.196 3.035 1.00 29.37 C +ATOM 2016 O HIS B 73 33.203 53.007 2.653 1.00 27.09 O +ATOM 2017 CB HIS B 73 32.469 54.075 5.455 1.00 26.16 C +ATOM 2018 CG HIS B 73 33.598 54.780 6.144 1.00 25.86 C +ATOM 2019 ND1 HIS B 73 34.890 54.735 5.717 1.00 26.84 N +ATOM 2020 CD2 HIS B 73 33.595 55.492 7.300 1.00 28.88 C +ATOM 2021 CE1 HIS B 73 35.671 55.408 6.561 1.00 28.61 C +ATOM 2022 NE2 HIS B 73 34.901 55.880 7.525 1.00 29.57 N +ATOM 2023 N PRO B 74 34.085 55.038 2.554 1.00 29.58 N +ATOM 2024 CA PRO B 74 35.067 54.663 1.561 1.00 31.32 C +ATOM 2025 C PRO B 74 36.086 53.643 1.990 1.00 29.40 C +ATOM 2026 O PRO B 74 36.644 52.937 1.132 1.00 30.86 O +ATOM 2027 CB PRO B 74 35.712 55.984 1.139 1.00 33.43 C +ATOM 2028 CG PRO B 74 35.494 56.875 2.307 1.00 32.93 C +ATOM 2029 CD PRO B 74 34.143 56.494 2.873 1.00 32.01 C +ATOM 2030 N GLN B 75 36.319 53.467 3.305 1.00 25.61 N +ATOM 2031 CA GLN B 75 37.280 52.464 3.756 1.00 24.55 C +ATOM 2032 C GLN B 75 36.635 51.138 4.158 1.00 22.63 C +ATOM 2033 O GLN B 75 37.353 50.264 4.675 1.00 23.88 O +ATOM 2034 CB GLN B 75 38.044 52.997 5.004 1.00 25.29 C +ATOM 2035 CG GLN B 75 38.876 54.237 4.578 1.00 28.93 C +ATOM 2036 CD GLN B 75 39.731 54.689 5.747 1.00 36.73 C +ATOM 2037 OE1 GLN B 75 39.267 55.415 6.626 1.00 37.63 O +ATOM 2038 NE2 GLN B 75 40.976 54.220 5.746 1.00 36.02 N +ATOM 2039 N ILE B 76 35.341 50.987 3.951 1.00 21.53 N +ATOM 2040 CA ILE B 76 34.659 49.722 4.276 1.00 22.20 C +ATOM 2041 C ILE B 76 34.464 48.888 3.034 1.00 22.84 C +ATOM 2042 O ILE B 76 34.159 49.406 1.901 1.00 21.97 O +ATOM 2043 CB ILE B 76 33.300 50.033 4.935 1.00 24.32 C +ATOM 2044 CG1 ILE B 76 33.428 50.227 6.443 1.00 27.23 C +ATOM 2045 CG2 ILE B 76 32.278 48.927 4.685 1.00 25.78 C +ATOM 2046 CD1 ILE B 76 34.598 50.959 6.994 1.00 28.11 C +ATOM 2047 N THR B 77 34.703 47.591 3.156 1.00 21.54 N +ATOM 2048 CA THR B 77 34.493 46.660 2.036 1.00 22.02 C +ATOM 2049 C THR B 77 33.608 45.535 2.575 1.00 24.10 C +ATOM 2050 O THR B 77 33.769 45.178 3.762 1.00 25.25 O +ATOM 2051 CB THR B 77 35.818 46.063 1.546 1.00 22.54 C +ATOM 2052 OG1 THR B 77 36.591 47.113 0.975 1.00 24.28 O +ATOM 2053 CG2 THR B 77 35.546 44.951 0.554 1.00 27.19 C +ATOM 2054 N VAL B 78 32.575 45.170 1.838 1.00 23.30 N +ATOM 2055 CA VAL B 78 31.645 44.129 2.325 1.00 23.23 C +ATOM 2056 C VAL B 78 31.707 42.937 1.407 1.00 23.36 C +ATOM 2057 O VAL B 78 31.634 43.070 0.157 1.00 21.02 O +ATOM 2058 CB VAL B 78 30.192 44.671 2.358 1.00 28.32 C +ATOM 2059 CG1 VAL B 78 29.194 43.617 2.787 1.00 27.30 C +ATOM 2060 CG2 VAL B 78 30.087 45.867 3.314 1.00 29.55 C +ATOM 2061 N VAL B 79 31.921 41.754 1.980 1.00 20.30 N +ATOM 2062 CA VAL B 79 31.985 40.504 1.221 1.00 19.99 C +ATOM 2063 C VAL B 79 31.085 39.498 1.925 1.00 21.55 C +ATOM 2064 O VAL B 79 30.785 39.668 3.095 1.00 22.86 O +ATOM 2065 CB VAL B 79 33.407 39.890 1.157 1.00 18.21 C +ATOM 2066 CG1 VAL B 79 34.421 40.864 0.569 1.00 17.63 C +ATOM 2067 CG2 VAL B 79 33.839 39.475 2.563 1.00 21.64 C +ATOM 2068 N ASP B 80 30.641 38.435 1.209 1.00 22.08 N +ATOM 2069 CA ASP B 80 29.858 37.444 1.927 1.00 23.19 C +ATOM 2070 C ASP B 80 30.875 36.446 2.566 1.00 22.64 C +ATOM 2071 O ASP B 80 31.852 36.127 1.918 1.00 22.75 O +ATOM 2072 CB ASP B 80 28.954 36.627 1.023 1.00 26.44 C +ATOM 2073 CG ASP B 80 27.755 37.428 0.526 1.00 25.20 C +ATOM 2074 OD1 ASP B 80 27.513 38.539 1.008 1.00 29.82 O +ATOM 2075 OD2 ASP B 80 27.057 36.858 -0.359 1.00 29.31 O +ATOM 2076 N GLY B 81 30.554 36.064 3.769 1.00 26.93 N +ATOM 2077 CA GLY B 81 31.402 35.111 4.508 1.00 31.30 C +ATOM 2078 C GLY B 81 30.712 33.752 4.550 1.00 36.91 C +ATOM 2079 O GLY B 81 29.778 33.533 3.781 1.00 37.97 O +ATOM 2080 N GLY B 82 31.240 32.824 5.354 1.00 36.94 N +ATOM 2081 CA GLY B 82 30.649 31.487 5.356 1.00 41.30 C +ATOM 2082 C GLY B 82 29.975 31.060 6.634 1.00 42.89 C +ATOM 2083 O GLY B 82 29.514 31.822 7.467 1.00 43.78 O +ATOM 2084 N ASP B 83 29.875 29.729 6.779 1.00 44.99 N +ATOM 2085 CA ASP B 83 29.245 29.106 7.919 1.00 44.87 C +ATOM 2086 C ASP B 83 29.931 29.444 9.232 1.00 43.12 C +ATOM 2087 O ASP B 83 29.389 30.158 10.080 1.00 44.51 O +ATOM 2088 CB ASP B 83 29.203 27.581 7.703 1.00 45.37 C +ATOM 2089 N GLU B 84 31.198 29.073 9.361 1.00 39.57 N +ATOM 2090 CA GLU B 84 31.889 29.322 10.633 1.00 35.32 C +ATOM 2091 C GLU B 84 32.737 30.564 10.603 1.00 33.31 C +ATOM 2092 O GLU B 84 33.078 31.072 9.529 1.00 32.15 O +ATOM 2093 CB AGLU B 84 32.657 28.083 11.057 0.65 40.57 C +ATOM 2094 CB BGLU B 84 32.721 28.051 10.950 0.35 37.27 C +ATOM 2095 CG AGLU B 84 31.824 26.839 11.265 0.65 45.73 C +ATOM 2096 CG BGLU B 84 31.841 26.838 11.176 0.35 39.64 C +ATOM 2097 CD AGLU B 84 30.459 27.013 11.860 0.65 48.01 C +ATOM 2098 CD BGLU B 84 32.493 25.497 11.278 0.35 40.27 C +ATOM 2099 OE1AGLU B 84 30.158 28.005 12.551 0.65 48.59 O +ATOM 2100 OE1BGLU B 84 33.712 25.329 11.082 0.35 38.21 O +ATOM 2101 OE2AGLU B 84 29.603 26.106 11.633 0.65 50.26 O +ATOM 2102 OE2BGLU B 84 31.752 24.501 11.542 0.35 42.48 O +ATOM 2103 N ARG B 85 33.122 31.065 11.777 1.00 30.14 N +ATOM 2104 CA ARG B 85 33.975 32.265 11.818 1.00 26.42 C +ATOM 2105 C ARG B 85 35.193 32.114 10.951 1.00 26.88 C +ATOM 2106 O ARG B 85 35.631 33.103 10.337 1.00 25.48 O +ATOM 2107 CB ARG B 85 34.370 32.568 13.270 1.00 27.83 C +ATOM 2108 CG ARG B 85 35.202 33.797 13.486 1.00 30.13 C +ATOM 2109 CD ARG B 85 35.530 34.015 14.961 1.00 30.35 C +ATOM 2110 NE ARG B 85 36.386 35.195 15.176 1.00 33.13 N +ATOM 2111 CZ ARG B 85 35.897 36.402 15.446 1.00 33.16 C +ATOM 2112 NH1 ARG B 85 34.576 36.589 15.522 1.00 32.09 N +ATOM 2113 NH2 ARG B 85 36.717 37.425 15.665 1.00 33.00 N +ATOM 2114 N ALA B 86 35.847 30.939 10.934 1.00 26.61 N +ATOM 2115 CA ALA B 86 37.038 30.760 10.124 1.00 25.94 C +ATOM 2116 C ALA B 86 36.756 30.952 8.631 1.00 26.31 C +ATOM 2117 O ALA B 86 37.587 31.597 7.987 1.00 23.73 O +ATOM 2118 CB ALA B 86 37.691 29.404 10.358 1.00 27.80 C +ATOM 2119 N ASP B 87 35.606 30.507 8.125 1.00 25.89 N +ATOM 2120 CA ASP B 87 35.216 30.712 6.735 1.00 26.18 C +ATOM 2121 C ASP B 87 35.011 32.226 6.489 1.00 22.48 C +ATOM 2122 O ASP B 87 35.415 32.704 5.432 1.00 24.68 O +ATOM 2123 CB ASP B 87 33.938 29.975 6.354 1.00 29.45 C +ATOM 2124 CG ASP B 87 34.004 28.460 6.588 1.00 32.55 C +ATOM 2125 OD1 ASP B 87 34.886 27.827 5.992 1.00 33.25 O +ATOM 2126 OD2 ASP B 87 33.159 27.933 7.339 1.00 34.55 O +ATOM 2127 N SER B 88 34.363 32.908 7.419 1.00 21.12 N +ATOM 2128 CA SER B 88 34.185 34.362 7.278 1.00 21.71 C +ATOM 2129 C SER B 88 35.518 35.093 7.221 1.00 23.27 C +ATOM 2130 O SER B 88 35.690 36.031 6.421 1.00 23.47 O +ATOM 2131 CB SER B 88 33.297 34.955 8.346 1.00 28.84 C +ATOM 2132 OG SER B 88 31.969 34.455 8.188 1.00 34.22 O +ATOM 2133 N VAL B 89 36.433 34.794 8.146 1.00 21.05 N +ATOM 2134 CA VAL B 89 37.732 35.464 8.140 1.00 20.93 C +ATOM 2135 C VAL B 89 38.461 35.188 6.860 1.00 20.37 C +ATOM 2136 O VAL B 89 39.009 36.098 6.228 1.00 21.58 O +ATOM 2137 CB VAL B 89 38.599 35.077 9.361 1.00 18.76 C +ATOM 2138 CG1 VAL B 89 39.967 35.720 9.256 1.00 20.78 C +ATOM 2139 CG2 VAL B 89 37.879 35.618 10.633 1.00 19.89 C +ATOM 2140 N LEU B 90 38.431 33.925 6.387 1.00 20.29 N +ATOM 2141 CA LEU B 90 39.106 33.601 5.112 1.00 19.11 C +ATOM 2142 C LEU B 90 38.463 34.375 3.958 1.00 20.14 C +ATOM 2143 O LEU B 90 39.213 34.847 3.055 1.00 21.92 O +ATOM 2144 CB LEU B 90 38.969 32.087 4.849 1.00 23.62 C +ATOM 2145 CG LEU B 90 39.969 31.240 5.687 1.00 26.36 C +ATOM 2146 CD1 LEU B 90 39.694 29.751 5.402 1.00 25.14 C +ATOM 2147 CD2 LEU B 90 41.385 31.519 5.205 1.00 25.83 C +ATOM 2148 N ALA B 91 37.177 34.558 3.986 1.00 20.09 N +ATOM 2149 CA ALA B 91 36.550 35.371 2.881 1.00 20.12 C +ATOM 2150 C ALA B 91 37.050 36.785 2.958 1.00 23.26 C +ATOM 2151 O ALA B 91 37.371 37.455 1.974 1.00 21.35 O +ATOM 2152 CB ALA B 91 35.031 35.335 3.078 1.00 23.44 C +ATOM 2153 N GLY B 92 37.125 37.323 4.202 1.00 21.55 N +ATOM 2154 CA GLY B 92 37.596 38.702 4.360 1.00 20.98 C +ATOM 2155 C GLY B 92 39.001 38.894 3.904 1.00 21.40 C +ATOM 2156 O GLY B 92 39.326 39.943 3.330 1.00 21.32 O +ATOM 2157 N LEU B 93 39.889 37.892 4.115 1.00 20.43 N +ATOM 2158 CA LEU B 93 41.268 38.034 3.699 1.00 21.06 C +ATOM 2159 C LEU B 93 41.454 38.210 2.204 1.00 22.69 C +ATOM 2160 O LEU B 93 42.404 38.850 1.759 1.00 23.05 O +ATOM 2161 CB LEU B 93 42.096 36.772 4.106 1.00 21.37 C +ATOM 2162 CG LEU B 93 42.206 36.559 5.614 1.00 23.25 C +ATOM 2163 CD1 LEU B 93 43.160 35.393 5.900 1.00 24.72 C +ATOM 2164 CD2 LEU B 93 42.741 37.808 6.318 1.00 22.50 C +ATOM 2165 N LYS B 94 40.550 37.655 1.389 1.00 23.78 N +ATOM 2166 CA LYS B 94 40.714 37.823 -0.070 1.00 23.01 C +ATOM 2167 C LYS B 94 40.616 39.280 -0.488 1.00 23.84 C +ATOM 2168 O LYS B 94 41.045 39.631 -1.587 1.00 23.63 O +ATOM 2169 CB LYS B 94 39.589 37.048 -0.770 1.00 20.51 C +ATOM 2170 CG LYS B 94 39.572 35.576 -0.433 1.00 24.14 C +ATOM 2171 CD LYS B 94 38.356 34.885 -1.094 1.00 25.35 C +ATOM 2172 CE LYS B 94 38.442 33.383 -0.776 1.00 27.78 C +ATOM 2173 NZ LYS B 94 37.390 32.634 -1.558 1.00 27.65 N +ATOM 2174 N ALA B 95 40.018 40.124 0.345 1.00 22.12 N +ATOM 2175 CA ALA B 95 39.836 41.532 0.034 1.00 22.47 C +ATOM 2176 C ALA B 95 40.772 42.444 0.781 1.00 25.78 C +ATOM 2177 O ALA B 95 40.593 43.679 0.823 1.00 25.15 O +ATOM 2178 CB ALA B 95 38.369 41.888 0.342 1.00 27.70 C +ATOM 2179 N ALA B 96 41.827 41.883 1.377 1.00 22.98 N +ATOM 2180 CA ALA B 96 42.756 42.713 2.162 1.00 25.63 C +ATOM 2181 C ALA B 96 43.752 43.510 1.363 1.00 29.23 C +ATOM 2182 O ALA B 96 44.603 44.231 1.929 1.00 29.57 O +ATOM 2183 CB ALA B 96 43.448 41.821 3.179 1.00 20.35 C +ATOM 2184 N GLY B 97 43.742 43.361 0.043 1.00 27.81 N +ATOM 2185 CA GLY B 97 44.624 44.181 -0.801 1.00 29.80 C +ATOM 2186 C GLY B 97 46.088 43.873 -0.608 1.00 29.26 C +ATOM 2187 O GLY B 97 46.508 42.727 -0.629 1.00 27.39 O +ATOM 2188 N ASP B 98 46.889 44.918 -0.397 1.00 30.10 N +ATOM 2189 CA ASP B 98 48.326 44.731 -0.223 1.00 30.70 C +ATOM 2190 C ASP B 98 48.755 44.583 1.229 1.00 31.31 C +ATOM 2191 O ASP B 98 49.954 44.464 1.509 1.00 31.40 O +ATOM 2192 CB ASP B 98 49.027 45.997 -0.802 1.00 36.54 C +ATOM 2193 N ALA B 99 47.821 44.567 2.184 1.00 27.17 N +ATOM 2194 CA ALA B 99 48.258 44.449 3.584 1.00 28.81 C +ATOM 2195 C ALA B 99 48.971 43.158 3.888 1.00 28.50 C +ATOM 2196 O ALA B 99 48.534 42.068 3.513 1.00 32.18 O +ATOM 2197 CB ALA B 99 47.039 44.643 4.495 1.00 25.78 C +ATOM 2198 N GLN B 100 50.097 43.223 4.640 1.00 27.56 N +ATOM 2199 CA GLN B 100 50.784 41.979 4.983 1.00 28.01 C +ATOM 2200 C GLN B 100 50.383 41.518 6.403 1.00 25.44 C +ATOM 2201 O GLN B 100 50.646 40.380 6.745 1.00 25.30 O +ATOM 2202 CB GLN B 100 52.291 42.088 4.923 1.00 36.02 C +ATOM 2203 CG GLN B 100 52.824 42.402 3.499 1.00 44.53 C +ATOM 2204 CD GLN B 100 54.330 42.645 3.614 1.00 51.34 C +ATOM 2205 OE1 GLN B 100 55.122 41.713 3.512 1.00 56.53 O +ATOM 2206 NE2 GLN B 100 54.704 43.886 3.891 1.00 53.83 N +ATOM 2207 N TRP B 101 49.764 42.433 7.148 1.00 24.52 N +ATOM 2208 CA TRP B 101 49.283 42.105 8.501 1.00 22.11 C +ATOM 2209 C TRP B 101 47.776 42.361 8.550 1.00 21.20 C +ATOM 2210 O TRP B 101 47.281 43.375 7.992 1.00 21.17 O +ATOM 2211 CB TRP B 101 49.970 42.997 9.548 1.00 24.77 C +ATOM 2212 CG TRP B 101 51.326 42.469 9.942 1.00 27.43 C +ATOM 2213 CD1 TRP B 101 52.478 42.590 9.201 1.00 30.36 C +ATOM 2214 CD2 TRP B 101 51.661 41.735 11.112 1.00 27.18 C +ATOM 2215 NE1 TRP B 101 53.524 41.995 9.873 1.00 32.46 N +ATOM 2216 CE2 TRP B 101 53.049 41.453 11.046 1.00 32.20 C +ATOM 2217 CE3 TRP B 101 50.947 41.295 12.224 1.00 21.70 C +ATOM 2218 CZ2 TRP B 101 53.714 40.743 12.045 1.00 26.32 C +ATOM 2219 CZ3 TRP B 101 51.603 40.593 13.225 1.00 24.95 C +ATOM 2220 CH2 TRP B 101 52.997 40.334 13.126 1.00 27.70 C +ATOM 2221 N VAL B 102 47.039 41.571 9.327 1.00 20.57 N +ATOM 2222 CA VAL B 102 45.582 41.695 9.370 1.00 17.60 C +ATOM 2223 C VAL B 102 45.067 41.662 10.819 1.00 19.39 C +ATOM 2224 O VAL B 102 45.628 40.917 11.618 1.00 19.92 O +ATOM 2225 CB VAL B 102 44.920 40.510 8.616 1.00 25.21 C +ATOM 2226 CG1 VAL B 102 43.402 40.488 8.827 1.00 26.64 C +ATOM 2227 CG2 VAL B 102 45.210 40.651 7.100 1.00 24.08 C +ATOM 2228 N LEU B 103 44.123 42.535 11.116 1.00 18.48 N +ATOM 2229 CA LEU B 103 43.492 42.525 12.464 1.00 19.53 C +ATOM 2230 C LEU B 103 42.129 41.819 12.288 1.00 19.42 C +ATOM 2231 O LEU B 103 41.433 42.137 11.321 1.00 20.49 O +ATOM 2232 CB LEU B 103 43.137 43.956 12.878 1.00 20.77 C +ATOM 2233 CG LEU B 103 44.117 44.986 13.290 1.00 26.36 C +ATOM 2234 CD1 LEU B 103 43.496 46.403 13.269 1.00 24.30 C +ATOM 2235 CD2 LEU B 103 44.666 44.697 14.695 1.00 27.14 C +ATOM 2236 N VAL B 104 41.719 40.988 13.241 1.00 18.00 N +ATOM 2237 CA VAL B 104 40.405 40.338 13.130 1.00 19.37 C +ATOM 2238 C VAL B 104 39.672 40.828 14.397 1.00 19.18 C +ATOM 2239 O VAL B 104 40.253 40.628 15.482 1.00 20.26 O +ATOM 2240 CB VAL B 104 40.468 38.823 13.102 1.00 18.79 C +ATOM 2241 CG1 VAL B 104 39.030 38.273 12.934 1.00 19.19 C +ATOM 2242 CG2 VAL B 104 41.316 38.329 11.919 1.00 16.87 C +ATOM 2243 N HIS B 105 38.563 41.486 14.278 1.00 16.86 N +ATOM 2244 CA HIS B 105 37.942 42.046 15.507 1.00 16.71 C +ATOM 2245 C HIS B 105 36.487 41.621 15.570 1.00 19.03 C +ATOM 2246 O HIS B 105 35.771 41.580 14.583 1.00 19.31 O +ATOM 2247 CB HIS B 105 38.044 43.593 15.445 1.00 17.97 C +ATOM 2248 CG HIS B 105 37.428 44.293 16.627 1.00 19.28 C +ATOM 2249 ND1 HIS B 105 37.883 44.104 17.902 1.00 21.41 N +ATOM 2250 CD2 HIS B 105 36.433 45.211 16.703 1.00 18.95 C +ATOM 2251 CE1 HIS B 105 37.188 44.854 18.760 1.00 21.53 C +ATOM 2252 NE2 HIS B 105 36.290 45.553 18.057 1.00 21.00 N +ATOM 2253 N ASP B 106 36.015 41.399 16.797 1.00 18.42 N +ATOM 2254 CA ASP B 106 34.624 41.017 16.995 1.00 20.95 C +ATOM 2255 C ASP B 106 33.714 42.195 16.673 1.00 20.22 C +ATOM 2256 O ASP B 106 33.822 43.284 17.207 1.00 21.56 O +ATOM 2257 CB ASP B 106 34.376 40.659 18.479 1.00 22.46 C +ATOM 2258 CG ASP B 106 34.861 39.286 18.856 1.00 29.01 C +ATOM 2259 OD1 ASP B 106 35.037 39.035 20.085 1.00 28.50 O +ATOM 2260 OD2 ASP B 106 35.081 38.432 17.975 1.00 25.20 O +ATOM 2261 N ALA B 107 32.673 41.898 15.882 1.00 23.16 N +ATOM 2262 CA ALA B 107 31.687 42.937 15.584 1.00 23.95 C +ATOM 2263 C ALA B 107 31.027 43.421 16.876 1.00 22.82 C +ATOM 2264 O ALA B 107 30.639 44.612 16.907 1.00 24.55 O +ATOM 2265 CB ALA B 107 30.594 42.326 14.677 1.00 22.27 C +ATOM 2266 N ALA B 108 30.915 42.618 17.911 1.00 22.03 N +ATOM 2267 CA ALA B 108 30.250 43.057 19.165 1.00 23.38 C +ATOM 2268 C ALA B 108 31.169 43.482 20.279 1.00 23.72 C +ATOM 2269 O ALA B 108 30.869 43.390 21.486 1.00 22.23 O +ATOM 2270 CB ALA B 108 29.263 41.985 19.614 1.00 22.91 C +ATOM 2271 N ARG B 109 32.337 44.077 19.917 1.00 19.93 N +ATOM 2272 CA ARG B 109 33.281 44.639 20.889 1.00 19.41 C +ATOM 2273 C ARG B 109 33.433 46.110 20.533 1.00 21.97 C +ATOM 2274 O ARG B 109 34.440 46.572 19.971 1.00 21.00 O +ATOM 2275 CB ARG B 109 34.602 43.909 20.983 1.00 18.06 C +ATOM 2276 CG ARG B 109 34.607 42.662 21.862 1.00 21.56 C +ATOM 2277 CD ARG B 109 35.979 41.948 21.875 1.00 19.46 C +ATOM 2278 NE ARG B 109 35.899 40.582 22.374 1.00 21.58 N +ATOM 2279 CZ ARG B 109 35.875 40.173 23.623 1.00 23.52 C +ATOM 2280 NH1 ARG B 109 35.910 41.016 24.668 1.00 21.20 N +ATOM 2281 NH2 ARG B 109 35.793 38.882 23.913 1.00 25.29 N +ATOM 2282 N PRO B 110 32.450 46.935 20.954 1.00 19.53 N +ATOM 2283 CA PRO B 110 32.436 48.331 20.555 1.00 20.36 C +ATOM 2284 C PRO B 110 33.195 49.268 21.431 1.00 19.42 C +ATOM 2285 O PRO B 110 33.280 50.470 21.083 1.00 22.73 O +ATOM 2286 CB PRO B 110 30.898 48.662 20.636 1.00 18.81 C +ATOM 2287 CG PRO B 110 30.548 47.900 21.903 1.00 21.52 C +ATOM 2288 CD PRO B 110 31.218 46.540 21.661 1.00 20.90 C +ATOM 2289 N CYS B 111 33.793 48.810 22.519 1.00 19.38 N +ATOM 2290 CA CYS B 111 34.473 49.632 23.469 1.00 17.41 C +ATOM 2291 C CYS B 111 36.015 49.579 23.329 1.00 21.46 C +ATOM 2292 O CYS B 111 36.671 50.264 24.136 1.00 23.00 O +ATOM 2293 CB CYS B 111 34.119 49.301 24.919 1.00 22.12 C +ATOM 2294 SG CYS B 111 32.351 49.250 25.244 1.00 21.74 S +ATOM 2295 N LEU B 112 36.494 49.062 22.230 1.00 20.58 N +ATOM 2296 CA LEU B 112 37.921 48.970 21.956 1.00 22.32 C +ATOM 2297 C LEU B 112 38.533 50.382 22.011 1.00 24.58 C +ATOM 2298 O LEU B 112 38.052 51.257 21.284 1.00 23.86 O +ATOM 2299 CB LEU B 112 38.167 48.420 20.537 1.00 21.26 C +ATOM 2300 CG LEU B 112 39.613 48.481 20.007 1.00 20.56 C +ATOM 2301 CD1 LEU B 112 40.535 47.699 20.928 1.00 19.95 C +ATOM 2302 CD2 LEU B 112 39.633 47.913 18.588 1.00 22.85 C +ATOM 2303 N HIS B 113 39.573 50.525 22.791 1.00 22.20 N +ATOM 2304 CA HIS B 113 40.254 51.814 22.945 1.00 22.91 C +ATOM 2305 C HIS B 113 41.455 51.899 22.010 1.00 22.32 C +ATOM 2306 O HIS B 113 42.178 50.955 21.804 1.00 21.03 O +ATOM 2307 CB HIS B 113 40.714 51.929 24.423 1.00 24.47 C +ATOM 2308 CG HIS B 113 41.170 53.313 24.757 1.00 30.40 C +ATOM 2309 ND1 HIS B 113 40.408 54.244 25.408 1.00 37.69 N +ATOM 2310 CD2 HIS B 113 42.323 53.936 24.426 1.00 26.82 C +ATOM 2311 CE1 HIS B 113 41.080 55.400 25.517 1.00 29.47 C +ATOM 2312 NE2 HIS B 113 42.265 55.217 24.916 1.00 34.38 N +ATOM 2313 N GLN B 114 41.705 53.131 21.504 1.00 21.91 N +ATOM 2314 CA GLN B 114 42.793 53.382 20.587 1.00 22.59 C +ATOM 2315 C GLN B 114 44.156 53.049 21.163 1.00 24.16 C +ATOM 2316 O GLN B 114 45.028 52.587 20.438 1.00 23.72 O +ATOM 2317 CB GLN B 114 42.704 54.847 20.072 1.00 20.94 C +ATOM 2318 CG GLN B 114 42.873 55.945 21.082 1.00 22.92 C +ATOM 2319 CD GLN B 114 41.602 56.388 21.787 1.00 28.73 C +ATOM 2320 OE1 GLN B 114 40.629 55.628 21.871 1.00 27.21 O +ATOM 2321 NE2 GLN B 114 41.543 57.649 22.269 1.00 27.79 N +ATOM 2322 N ASP B 115 44.337 53.241 22.472 1.00 22.57 N +ATOM 2323 CA ASP B 115 45.579 52.940 23.156 1.00 25.11 C +ATOM 2324 C ASP B 115 45.912 51.450 23.020 1.00 22.18 C +ATOM 2325 O ASP B 115 47.052 51.110 22.772 1.00 24.43 O +ATOM 2326 CB ASP B 115 45.504 53.228 24.657 1.00 28.47 C +ATOM 2327 CG ASP B 115 45.428 54.685 24.977 1.00 32.39 C +ATOM 2328 OD1 ASP B 115 45.241 55.014 26.162 1.00 33.51 O +ATOM 2329 OD2 ASP B 115 45.538 55.510 24.030 1.00 33.05 O +ATOM 2330 N ASP B 116 44.901 50.617 23.277 1.00 21.69 N +ATOM 2331 CA ASP B 116 45.093 49.160 23.164 1.00 20.88 C +ATOM 2332 C ASP B 116 45.389 48.767 21.716 1.00 20.64 C +ATOM 2333 O ASP B 116 46.294 47.991 21.388 1.00 18.58 O +ATOM 2334 CB ASP B 116 43.818 48.469 23.647 1.00 22.97 C +ATOM 2335 CG ASP B 116 43.631 48.542 25.165 1.00 24.27 C +ATOM 2336 OD1 ASP B 116 44.550 48.937 25.893 1.00 24.69 O +ATOM 2337 OD2 ASP B 116 42.567 48.067 25.626 1.00 26.10 O +ATOM 2338 N LEU B 117 44.618 49.323 20.781 1.00 20.74 N +ATOM 2339 CA LEU B 117 44.857 49.029 19.350 1.00 19.69 C +ATOM 2340 C LEU B 117 46.249 49.413 18.929 1.00 21.64 C +ATOM 2341 O LEU B 117 46.951 48.678 18.215 1.00 20.77 O +ATOM 2342 CB LEU B 117 43.794 49.824 18.556 1.00 20.07 C +ATOM 2343 CG LEU B 117 43.882 49.760 17.038 1.00 21.73 C +ATOM 2344 CD1 LEU B 117 43.741 48.312 16.571 1.00 22.57 C +ATOM 2345 CD2 LEU B 117 42.802 50.615 16.402 1.00 22.35 C +ATOM 2346 N ALA B 118 46.742 50.580 19.388 1.00 21.45 N +ATOM 2347 CA ALA B 118 48.090 51.007 19.008 1.00 22.66 C +ATOM 2348 C ALA B 118 49.172 50.094 19.567 1.00 21.60 C +ATOM 2349 O ALA B 118 50.093 49.717 18.836 1.00 22.27 O +ATOM 2350 CB ALA B 118 48.320 52.470 19.436 1.00 22.86 C +ATOM 2351 N ARG B 119 49.021 49.636 20.815 1.00 24.24 N +ATOM 2352 CA ARG B 119 49.940 48.733 21.479 1.00 25.37 C +ATOM 2353 C ARG B 119 49.972 47.394 20.740 1.00 25.27 C +ATOM 2354 O ARG B 119 51.010 46.793 20.486 1.00 24.74 O +ATOM 2355 CB ARG B 119 49.543 48.503 22.952 1.00 26.20 C +ATOM 2356 CG ARG B 119 50.576 47.850 23.834 1.00 31.67 C +ATOM 2357 CD ARG B 119 50.158 47.832 25.326 1.00 39.11 C +ATOM 2358 NE ARG B 119 49.554 49.099 25.715 1.00 38.29 N +ATOM 2359 CZ ARG B 119 48.291 49.259 26.089 1.00 41.08 C +ATOM 2360 NH1 ARG B 119 47.843 50.486 26.376 1.00 38.73 N +ATOM 2361 NH2 ARG B 119 47.461 48.220 26.182 1.00 34.57 N +ATOM 2362 N LEU B 120 48.774 46.919 20.330 1.00 20.77 N +ATOM 2363 CA LEU B 120 48.746 45.670 19.568 1.00 21.93 C +ATOM 2364 C LEU B 120 49.388 45.813 18.193 1.00 21.01 C +ATOM 2365 O LEU B 120 50.198 44.983 17.754 1.00 21.98 O +ATOM 2366 CB LEU B 120 47.283 45.250 19.359 1.00 19.22 C +ATOM 2367 CG LEU B 120 47.099 43.935 18.595 1.00 21.27 C +ATOM 2368 CD1 LEU B 120 47.590 42.749 19.410 1.00 22.90 C +ATOM 2369 CD2 LEU B 120 45.618 43.786 18.224 1.00 19.60 C +ATOM 2370 N LEU B 121 49.124 46.944 17.516 1.00 22.19 N +ATOM 2371 CA LEU B 121 49.690 47.149 16.178 1.00 23.85 C +ATOM 2372 C LEU B 121 51.211 47.244 16.221 1.00 26.68 C +ATOM 2373 O LEU B 121 51.875 46.823 15.271 1.00 24.62 O +ATOM 2374 CB LEU B 121 49.129 48.433 15.529 1.00 24.59 C +ATOM 2375 CG LEU B 121 47.750 48.314 14.917 1.00 29.62 C +ATOM 2376 CD1 LEU B 121 47.389 49.576 14.122 1.00 26.84 C +ATOM 2377 CD2 LEU B 121 47.633 47.091 14.028 1.00 26.45 C +ATOM 2378 N ALA B 122 51.758 47.615 17.373 1.00 29.55 N +ATOM 2379 CA ALA B 122 53.214 47.672 17.546 1.00 32.91 C +ATOM 2380 C ALA B 122 53.847 46.299 17.395 1.00 34.32 C +ATOM 2381 O ALA B 122 55.052 46.205 17.100 1.00 34.18 O +ATOM 2382 CB ALA B 122 53.559 48.268 18.899 1.00 34.83 C +ATOM 2383 N LEU B 123 53.098 45.197 17.541 1.00 32.76 N +ATOM 2384 CA LEU B 123 53.637 43.872 17.343 1.00 34.32 C +ATOM 2385 C LEU B 123 54.200 43.598 15.956 1.00 35.80 C +ATOM 2386 O LEU B 123 55.010 42.644 15.818 1.00 38.23 O +ATOM 2387 CB LEU B 123 52.599 42.785 17.645 1.00 33.93 C +ATOM 2388 CG LEU B 123 52.189 42.511 19.067 1.00 38.07 C +ATOM 2389 CD1 LEU B 123 51.110 41.432 19.149 1.00 36.44 C +ATOM 2390 CD2 LEU B 123 53.382 42.057 19.923 1.00 39.23 C +ATOM 2391 N SER B 124 53.754 44.230 14.896 1.00 36.98 N +ATOM 2392 CA SER B 124 54.245 43.974 13.547 1.00 40.64 C +ATOM 2393 C SER B 124 55.666 44.504 13.339 1.00 44.43 C +ATOM 2394 O SER B 124 56.334 44.142 12.368 1.00 46.79 O +ATOM 2395 CB SER B 124 53.344 44.558 12.488 1.00 39.45 C +ATOM 2396 OG SER B 124 53.319 45.976 12.512 1.00 35.90 O +ATOM 2397 N GLU B 125 56.084 45.426 14.198 1.00 46.75 N +ATOM 2398 CA GLU B 125 57.433 45.986 14.097 1.00 48.82 C +ATOM 2399 C GLU B 125 58.445 44.975 14.654 1.00 49.44 C +ATOM 2400 O GLU B 125 59.541 44.837 14.103 1.00 51.68 O +ATOM 2401 CB GLU B 125 57.530 47.282 14.916 1.00 43.90 C +ATOM 2402 N THR B 126 58.001 44.148 15.580 1.00 49.47 N +ATOM 2403 CA THR B 126 58.806 43.195 16.266 1.00 50.12 C +ATOM 2404 C THR B 126 58.546 41.722 16.170 1.00 49.96 C +ATOM 2405 O THR B 126 59.545 40.967 16.327 1.00 53.44 O +ATOM 2406 CB THR B 126 58.742 43.516 17.816 1.00 52.22 C +ATOM 2407 OG1 THR B 126 58.940 42.283 18.522 1.00 54.42 O +ATOM 2408 CG2 THR B 126 57.382 44.075 18.162 1.00 51.98 C +ATOM 2409 N SER B 127 57.333 41.224 16.063 1.00 47.71 N +ATOM 2410 CA SER B 127 57.050 39.797 16.108 1.00 43.50 C +ATOM 2411 C SER B 127 56.806 39.145 14.767 1.00 41.94 C +ATOM 2412 O SER B 127 56.682 39.847 13.763 1.00 38.83 O +ATOM 2413 CB SER B 127 55.856 39.564 17.051 1.00 47.84 C +ATOM 2414 OG SER B 127 55.239 38.301 16.847 1.00 51.90 O +ATOM 2415 N ARG B 128 56.861 37.800 14.743 1.00 38.70 N +ATOM 2416 CA ARG B 128 56.620 37.082 13.503 1.00 38.09 C +ATOM 2417 C ARG B 128 55.299 36.328 13.537 1.00 37.23 C +ATOM 2418 O ARG B 128 54.844 35.797 12.522 1.00 37.97 O +ATOM 2419 CB ARG B 128 57.720 36.035 13.216 1.00 36.62 C +ATOM 2420 CG ARG B 128 59.116 36.631 13.118 1.00 41.53 C +ATOM 2421 N THR B 129 54.734 36.142 14.743 1.00 34.68 N +ATOM 2422 CA THR B 129 53.519 35.333 14.815 1.00 33.69 C +ATOM 2423 C THR B 129 52.306 36.144 15.255 1.00 32.74 C +ATOM 2424 O THR B 129 51.189 35.609 15.107 1.00 36.90 O +ATOM 2425 CB THR B 129 53.688 34.078 15.660 1.00 39.19 C +ATOM 2426 OG1 THR B 129 54.143 34.420 16.967 1.00 38.58 O +ATOM 2427 CG2 THR B 129 54.692 33.118 15.026 1.00 40.77 C +ATOM 2428 N GLY B 130 52.492 37.358 15.669 1.00 29.78 N +ATOM 2429 CA GLY B 130 51.396 38.243 16.052 1.00 29.69 C +ATOM 2430 C GLY B 130 50.955 37.971 17.499 1.00 30.39 C +ATOM 2431 O GLY B 130 51.664 37.366 18.300 1.00 27.59 O +ATOM 2432 N GLY B 131 49.759 38.437 17.795 1.00 25.90 N +ATOM 2433 CA GLY B 131 49.249 38.323 19.172 1.00 24.28 C +ATOM 2434 C GLY B 131 47.867 38.941 19.243 1.00 24.03 C +ATOM 2435 O GLY B 131 47.272 39.328 18.253 1.00 20.46 O +ATOM 2436 N ILE B 132 47.316 38.875 20.466 1.00 22.37 N +ATOM 2437 CA ILE B 132 45.978 39.353 20.719 1.00 21.03 C +ATOM 2438 C ILE B 132 45.893 40.271 21.934 1.00 22.78 C +ATOM 2439 O ILE B 132 46.779 40.306 22.786 1.00 21.64 O +ATOM 2440 CB ILE B 132 45.072 38.118 20.972 1.00 21.10 C +ATOM 2441 CG1 ILE B 132 45.436 37.485 22.340 1.00 19.83 C +ATOM 2442 CG2 ILE B 132 45.239 37.040 19.894 1.00 18.41 C +ATOM 2443 CD1 ILE B 132 44.370 36.532 22.885 1.00 21.09 C +ATOM 2444 N LEU B 133 44.859 41.141 21.949 1.00 20.58 N +ATOM 2445 CA LEU B 133 44.615 41.879 23.190 1.00 21.19 C +ATOM 2446 C LEU B 133 44.103 40.836 24.215 1.00 20.88 C +ATOM 2447 O LEU B 133 43.310 39.935 23.832 1.00 19.72 O +ATOM 2448 CB LEU B 133 43.510 42.900 23.012 1.00 20.29 C +ATOM 2449 CG LEU B 133 43.883 44.357 22.855 1.00 29.94 C +ATOM 2450 CD1 LEU B 133 45.340 44.682 22.666 1.00 27.49 C +ATOM 2451 CD2 LEU B 133 42.952 45.091 21.954 1.00 18.26 C +ATOM 2452 N ALA B 134 44.408 41.050 25.463 1.00 19.86 N +ATOM 2453 CA ALA B 134 43.948 40.065 26.489 1.00 18.62 C +ATOM 2454 C ALA B 134 43.924 40.731 27.857 1.00 21.21 C +ATOM 2455 O ALA B 134 44.597 41.716 28.064 1.00 20.04 O +ATOM 2456 CB ALA B 134 44.865 38.858 26.473 1.00 21.77 C +ATOM 2457 N ALA B 135 43.109 40.143 28.750 1.00 22.32 N +ATOM 2458 CA ALA B 135 43.019 40.738 30.096 1.00 24.00 C +ATOM 2459 C ALA B 135 43.214 39.607 31.137 1.00 24.57 C +ATOM 2460 O ALA B 135 42.614 38.563 31.019 1.00 23.26 O +ATOM 2461 CB ALA B 135 41.658 41.355 30.305 1.00 25.40 C +ATOM 2462 N PRO B 136 44.150 39.834 32.037 1.00 25.86 N +ATOM 2463 CA PRO B 136 44.444 38.866 33.089 1.00 26.54 C +ATOM 2464 C PRO B 136 43.230 38.621 33.971 1.00 25.62 C +ATOM 2465 O PRO B 136 42.478 39.535 34.280 1.00 25.32 O +ATOM 2466 CB PRO B 136 45.566 39.504 33.901 1.00 27.15 C +ATOM 2467 CG PRO B 136 46.060 40.640 33.089 1.00 32.58 C +ATOM 2468 CD PRO B 136 44.928 41.086 32.191 1.00 27.18 C +ATOM 2469 N VAL B 137 43.080 37.377 34.435 1.00 24.49 N +ATOM 2470 CA VAL B 137 42.001 37.048 35.371 1.00 24.62 C +ATOM 2471 C VAL B 137 42.317 37.667 36.750 1.00 27.58 C +ATOM 2472 O VAL B 137 43.384 37.377 37.288 1.00 29.71 O +ATOM 2473 CB VAL B 137 41.856 35.530 35.500 1.00 24.75 C +ATOM 2474 CG1 VAL B 137 40.884 35.166 36.601 1.00 25.87 C +ATOM 2475 CG2 VAL B 137 41.344 34.994 34.151 1.00 25.57 C +ATOM 2476 N ARG B 138 41.426 38.489 37.245 1.00 28.14 N +ATOM 2477 CA ARG B 138 41.640 39.189 38.520 1.00 29.80 C +ATOM 2478 C ARG B 138 40.710 38.665 39.607 1.00 30.99 C +ATOM 2479 O ARG B 138 40.840 39.088 40.782 1.00 30.33 O +ATOM 2480 CB ARG B 138 41.423 40.690 38.369 1.00 31.90 C +ATOM 2481 CG ARG B 138 42.462 41.438 37.544 1.00 41.27 C +ATOM 2482 CD ARG B 138 43.817 40.807 37.633 1.00 46.03 C +ATOM 2483 NE ARG B 138 44.969 41.662 37.441 1.00 48.42 N +ATOM 2484 CZ ARG B 138 46.215 41.151 37.473 1.00 53.41 C +ATOM 2485 NH1 ARG B 138 46.405 39.852 37.686 1.00 52.60 N +ATOM 2486 NH2 ARG B 138 47.247 41.956 37.274 1.00 54.95 N +ATOM 2487 N ASP B 139 39.779 37.818 39.221 1.00 28.42 N +ATOM 2488 CA ASP B 139 38.824 37.257 40.181 1.00 28.19 C +ATOM 2489 C ASP B 139 39.132 35.784 40.384 1.00 28.48 C +ATOM 2490 O ASP B 139 40.288 35.385 40.229 1.00 30.33 O +ATOM 2491 CB ASP B 139 37.405 37.510 39.736 1.00 29.26 C +ATOM 2492 CG ASP B 139 37.067 36.903 38.373 1.00 32.13 C +ATOM 2493 OD1 ASP B 139 35.861 36.759 38.123 1.00 28.06 O +ATOM 2494 OD2 ASP B 139 37.966 36.571 37.571 1.00 29.65 O +ATOM 2495 N THR B 140 38.158 35.004 40.812 1.00 26.28 N +ATOM 2496 CA THR B 140 38.412 33.582 41.091 1.00 27.79 C +ATOM 2497 C THR B 140 37.457 32.777 40.202 1.00 25.38 C +ATOM 2498 O THR B 140 36.347 33.263 39.908 1.00 28.04 O +ATOM 2499 CB THR B 140 38.097 33.230 42.554 1.00 27.40 C +ATOM 2500 OG1 THR B 140 36.746 33.624 42.792 1.00 34.13 O +ATOM 2501 CG2 THR B 140 39.007 33.999 43.499 1.00 29.73 C +ATOM 2502 N MET B 141 37.981 31.675 39.702 1.00 22.41 N +ATOM 2503 CA MET B 141 37.152 30.900 38.764 1.00 22.52 C +ATOM 2504 C MET B 141 36.969 29.473 39.268 1.00 21.34 C +ATOM 2505 O MET B 141 37.794 28.948 39.976 1.00 24.40 O +ATOM 2506 CB MET B 141 37.844 30.873 37.382 1.00 21.13 C +ATOM 2507 CG MET B 141 37.572 32.261 36.718 1.00 26.28 C +ATOM 2508 SD MET B 141 38.019 32.277 35.010 1.00 27.78 S +ATOM 2509 CE MET B 141 37.650 34.044 34.656 1.00 26.50 C +ATOM 2510 N LYS B 142 35.824 28.899 38.913 1.00 22.05 N +ATOM 2511 CA LYS B 142 35.485 27.546 39.279 1.00 21.78 C +ATOM 2512 C LYS B 142 35.200 26.709 38.035 1.00 23.22 C +ATOM 2513 O LYS B 142 34.617 27.208 37.058 1.00 22.47 O +ATOM 2514 CB LYS B 142 34.198 27.537 40.158 1.00 20.52 C +ATOM 2515 CG LYS B 142 34.300 28.459 41.381 1.00 17.32 C +ATOM 2516 CD LYS B 142 35.386 28.000 42.369 1.00 23.68 C +ATOM 2517 CE LYS B 142 35.283 28.816 43.656 1.00 23.20 C +ATOM 2518 NZ LYS B 142 36.103 28.220 44.796 1.00 20.49 N +ATOM 2519 N ARG B 143 35.590 25.456 38.048 1.00 21.39 N +ATOM 2520 CA ARG B 143 35.280 24.548 36.939 1.00 23.34 C +ATOM 2521 C ARG B 143 34.119 23.647 37.405 1.00 23.22 C +ATOM 2522 O ARG B 143 34.231 23.038 38.470 1.00 23.38 O +ATOM 2523 CB ARG B 143 36.491 23.698 36.589 1.00 23.58 C +ATOM 2524 CG ARG B 143 36.174 22.510 35.691 1.00 28.86 C +ATOM 2525 CD ARG B 143 35.720 22.979 34.335 1.00 32.94 C +ATOM 2526 NE ARG B 143 36.570 23.720 33.523 1.00 38.55 N +ATOM 2527 CZ ARG B 143 37.812 23.975 33.385 1.00 34.57 C +ATOM 2528 NH1 ARG B 143 38.285 24.764 32.391 1.00 26.84 N +ATOM 2529 NH2 ARG B 143 38.648 23.463 34.306 1.00 45.84 N +ATOM 2530 N ALA B 144 33.038 23.602 36.653 1.00 23.35 N +ATOM 2531 CA ALA B 144 31.892 22.792 37.028 1.00 25.29 C +ATOM 2532 C ALA B 144 32.080 21.311 36.706 1.00 28.39 C +ATOM 2533 O ALA B 144 32.859 20.982 35.800 1.00 26.94 O +ATOM 2534 CB ALA B 144 30.667 23.292 36.225 1.00 25.95 C +ATOM 2535 N GLU B 145 31.390 20.447 37.427 1.00 25.53 N +ATOM 2536 CA GLU B 145 31.465 18.998 37.077 1.00 27.98 C +ATOM 2537 C GLU B 145 30.826 18.893 35.697 1.00 29.83 C +ATOM 2538 O GLU B 145 29.859 19.599 35.389 1.00 30.21 O +ATOM 2539 CB GLU B 145 30.642 18.198 38.099 1.00 32.49 C +ATOM 2540 CG GLU B 145 31.179 18.239 39.504 1.00 36.74 C +ATOM 2541 CD GLU B 145 30.302 17.552 40.534 1.00 41.65 C +ATOM 2542 OE1 GLU B 145 30.844 17.096 41.549 1.00 43.78 O +ATOM 2543 OE2 GLU B 145 29.069 17.462 40.322 1.00 45.26 O +ATOM 2544 N PRO B 146 31.267 17.971 34.850 1.00 32.75 N +ATOM 2545 CA PRO B 146 30.721 17.840 33.512 1.00 33.99 C +ATOM 2546 C PRO B 146 29.227 17.646 33.470 1.00 33.55 C +ATOM 2547 O PRO B 146 28.679 16.804 34.195 1.00 36.74 O +ATOM 2548 CB PRO B 146 31.452 16.599 32.955 1.00 35.23 C +ATOM 2549 CG PRO B 146 32.751 16.616 33.685 1.00 36.00 C +ATOM 2550 CD PRO B 146 32.369 17.016 35.119 1.00 33.60 C +ATOM 2551 N GLY B 147 28.514 18.525 32.778 1.00 34.30 N +ATOM 2552 CA GLY B 147 27.083 18.468 32.619 1.00 36.56 C +ATOM 2553 C GLY B 147 26.249 18.680 33.865 1.00 37.52 C +ATOM 2554 O GLY B 147 25.035 18.389 33.853 1.00 37.91 O +ATOM 2555 N LYS B 148 26.814 19.311 34.884 1.00 33.80 N +ATOM 2556 CA LYS B 148 26.112 19.563 36.156 1.00 32.76 C +ATOM 2557 C LYS B 148 26.475 20.971 36.645 1.00 31.37 C +ATOM 2558 O LYS B 148 27.585 21.414 36.330 1.00 32.86 O +ATOM 2559 CB LYS B 148 26.622 18.525 37.160 1.00 34.18 C +ATOM 2560 N ASN B 149 25.604 21.680 37.342 1.00 30.54 N +ATOM 2561 CA ASN B 149 25.973 23.013 37.828 1.00 30.52 C +ATOM 2562 C ASN B 149 26.425 22.920 39.310 1.00 31.02 C +ATOM 2563 O ASN B 149 25.759 23.437 40.202 1.00 28.76 O +ATOM 2564 CB ASN B 149 24.919 24.075 37.704 1.00 36.56 C +ATOM 2565 CG ASN B 149 24.525 24.336 36.253 1.00 38.57 C +ATOM 2566 OD1 ASN B 149 25.397 24.658 35.442 1.00 37.29 O +ATOM 2567 ND2 ASN B 149 23.244 24.164 35.979 1.00 40.85 N +ATOM 2568 N ALA B 150 27.416 22.102 39.511 1.00 28.82 N +ATOM 2569 CA ALA B 150 28.063 21.883 40.793 1.00 28.35 C +ATOM 2570 C ALA B 150 29.570 22.067 40.529 1.00 26.54 C +ATOM 2571 O ALA B 150 30.081 21.786 39.437 1.00 26.67 O +ATOM 2572 CB ALA B 150 27.795 20.565 41.435 1.00 27.37 C +ATOM 2573 N ILE B 151 30.236 22.626 41.505 1.00 23.20 N +ATOM 2574 CA ILE B 151 31.668 22.879 41.381 1.00 23.88 C +ATOM 2575 C ILE B 151 32.503 21.613 41.450 1.00 24.47 C +ATOM 2576 O ILE B 151 32.441 20.868 42.459 1.00 23.98 O +ATOM 2577 CB ILE B 151 32.114 23.823 42.538 1.00 21.18 C +ATOM 2578 CG1 ILE B 151 31.448 25.206 42.275 1.00 22.68 C +ATOM 2579 CG2 ILE B 151 33.622 23.999 42.551 1.00 24.76 C +ATOM 2580 CD1 ILE B 151 31.810 26.216 43.381 1.00 27.05 C +ATOM 2581 N ALA B 152 33.353 21.438 40.449 1.00 22.62 N +ATOM 2582 CA ALA B 152 34.347 20.356 40.469 1.00 25.52 C +ATOM 2583 C ALA B 152 35.562 20.819 41.243 1.00 26.40 C +ATOM 2584 O ALA B 152 35.898 20.268 42.306 1.00 26.92 O +ATOM 2585 CB ALA B 152 34.728 19.927 39.066 1.00 27.39 C +ATOM 2586 N HIS B 153 36.191 21.933 40.828 1.00 24.18 N +ATOM 2587 CA HIS B 153 37.341 22.465 41.509 1.00 24.92 C +ATOM 2588 C HIS B 153 37.599 23.943 41.165 1.00 25.22 C +ATOM 2589 O HIS B 153 37.028 24.438 40.206 1.00 24.65 O +ATOM 2590 CB HIS B 153 38.636 21.709 41.128 1.00 28.82 C +ATOM 2591 CG HIS B 153 38.762 21.484 39.640 1.00 27.86 C +ATOM 2592 ND1 HIS B 153 39.280 22.430 38.805 1.00 33.45 N +ATOM 2593 CD2 HIS B 153 38.496 20.378 38.889 1.00 24.30 C +ATOM 2594 CE1 HIS B 153 39.300 21.960 37.554 1.00 27.60 C +ATOM 2595 NE2 HIS B 153 38.801 20.730 37.569 1.00 28.52 N +ATOM 2596 N THR B 154 38.507 24.529 41.915 1.00 24.16 N +ATOM 2597 CA THR B 154 38.949 25.903 41.650 1.00 26.18 C +ATOM 2598 C THR B 154 39.965 25.856 40.508 1.00 27.33 C +ATOM 2599 O THR B 154 40.768 24.914 40.409 1.00 29.03 O +ATOM 2600 CB THR B 154 39.531 26.566 42.886 1.00 30.22 C +ATOM 2601 OG1 THR B 154 38.471 26.610 43.876 1.00 27.73 O +ATOM 2602 CG2 THR B 154 39.984 28.014 42.656 1.00 27.11 C +ATOM 2603 N VAL B 155 39.869 26.833 39.613 1.00 23.78 N +ATOM 2604 CA VAL B 155 40.854 26.856 38.499 1.00 27.06 C +ATOM 2605 C VAL B 155 41.972 27.815 38.903 1.00 26.51 C +ATOM 2606 O VAL B 155 41.687 28.943 39.270 1.00 31.59 O +ATOM 2607 CB VAL B 155 40.199 27.310 37.194 1.00 25.94 C +ATOM 2608 CG1 VAL B 155 41.289 27.505 36.098 1.00 27.28 C +ATOM 2609 CG2 VAL B 155 39.173 26.292 36.703 1.00 28.31 C +ATOM 2610 N ASP B 156 43.225 27.388 38.755 1.00 28.98 N +ATOM 2611 CA ASP B 156 44.350 28.274 39.093 1.00 28.70 C +ATOM 2612 C ASP B 156 44.281 29.521 38.198 1.00 29.19 C +ATOM 2613 O ASP B 156 44.360 29.335 36.963 1.00 29.80 O +ATOM 2614 CB ASP B 156 45.652 27.523 38.750 1.00 34.59 C +ATOM 2615 CG ASP B 156 46.899 28.303 39.093 1.00 37.07 C +ATOM 2616 OD1 ASP B 156 46.840 29.473 39.512 1.00 33.65 O +ATOM 2617 OD2 ASP B 156 47.998 27.710 38.942 1.00 46.11 O +ATOM 2618 N ARG B 157 44.309 30.710 38.746 1.00 28.75 N +ATOM 2619 CA ARG B 157 44.231 31.912 37.908 1.00 28.83 C +ATOM 2620 C ARG B 157 45.585 32.465 37.519 1.00 30.40 C +ATOM 2621 O ARG B 157 45.670 33.372 36.664 1.00 28.47 O +ATOM 2622 CB ARG B 157 43.366 32.983 38.536 1.00 32.91 C +ATOM 2623 CG ARG B 157 44.060 33.752 39.632 1.00 37.57 C +ATOM 2624 CD ARG B 157 43.086 34.632 40.404 1.00 41.65 C +ATOM 2625 NE ARG B 157 43.753 35.141 41.599 1.00 44.54 N +ATOM 2626 CZ ARG B 157 43.393 36.187 42.309 1.00 46.87 C +ATOM 2627 NH1 ARG B 157 42.336 36.906 41.966 1.00 50.63 N +ATOM 2628 NH2 ARG B 157 44.089 36.522 43.397 1.00 44.20 N +ATOM 2629 N ASN B 158 46.678 31.916 38.061 1.00 30.73 N +ATOM 2630 CA ASN B 158 48.008 32.410 37.662 1.00 31.35 C +ATOM 2631 C ASN B 158 48.283 32.114 36.181 1.00 28.35 C +ATOM 2632 O ASN B 158 48.193 30.985 35.715 1.00 26.63 O +ATOM 2633 CB ASN B 158 49.074 31.773 38.553 1.00 38.59 C +ATOM 2634 CG ASN B 158 49.048 32.325 39.965 1.00 46.40 C +ATOM 2635 OD1 ASN B 158 48.314 33.268 40.289 1.00 47.02 O +ATOM 2636 ND2 ASN B 158 49.839 31.723 40.859 1.00 49.25 N +ATOM 2637 N GLY B 159 48.650 33.149 35.434 1.00 28.38 N +ATOM 2638 CA GLY B 159 48.880 33.068 34.006 1.00 25.95 C +ATOM 2639 C GLY B 159 47.613 32.805 33.197 1.00 23.80 C +ATOM 2640 O GLY B 159 47.727 32.369 32.019 1.00 22.86 O +ATOM 2641 N LEU B 160 46.444 33.028 33.737 1.00 23.79 N +ATOM 2642 CA LEU B 160 45.162 32.803 33.023 1.00 23.89 C +ATOM 2643 C LEU B 160 44.669 34.156 32.523 1.00 22.86 C +ATOM 2644 O LEU B 160 44.637 35.174 33.251 1.00 22.79 O +ATOM 2645 CB LEU B 160 44.091 32.183 33.929 1.00 26.52 C +ATOM 2646 CG LEU B 160 42.796 31.708 33.218 1.00 24.73 C +ATOM 2647 CD1 LEU B 160 43.048 30.613 32.191 1.00 23.34 C +ATOM 2648 CD2 LEU B 160 41.784 31.208 34.275 1.00 24.32 C +ATOM 2649 N TRP B 161 44.348 34.205 31.215 1.00 24.31 N +ATOM 2650 CA TRP B 161 43.922 35.442 30.593 1.00 20.27 C +ATOM 2651 C TRP B 161 42.648 35.336 29.757 1.00 19.76 C +ATOM 2652 O TRP B 161 42.374 34.288 29.164 1.00 21.60 O +ATOM 2653 CB TRP B 161 45.012 35.822 29.530 1.00 24.41 C +ATOM 2654 CG TRP B 161 46.326 36.203 30.141 1.00 24.32 C +ATOM 2655 CD1 TRP B 161 47.254 35.397 30.693 1.00 23.74 C +ATOM 2656 CD2 TRP B 161 46.871 37.528 30.159 1.00 26.29 C +ATOM 2657 NE1 TRP B 161 48.342 36.139 31.124 1.00 24.50 N +ATOM 2658 CE2 TRP B 161 48.137 37.448 30.771 1.00 28.53 C +ATOM 2659 CE3 TRP B 161 46.425 38.766 29.691 1.00 23.52 C +ATOM 2660 CZ2 TRP B 161 48.944 38.566 30.958 1.00 31.61 C +ATOM 2661 CZ3 TRP B 161 47.221 39.876 29.864 1.00 28.91 C +ATOM 2662 CH2 TRP B 161 48.475 39.775 30.521 1.00 32.50 C +ATOM 2663 N HIS B 162 41.886 36.423 29.718 1.00 19.29 N +ATOM 2664 CA HIS B 162 40.723 36.449 28.816 1.00 21.26 C +ATOM 2665 C HIS B 162 41.243 36.821 27.403 1.00 21.40 C +ATOM 2666 O HIS B 162 41.898 37.853 27.307 1.00 21.60 O +ATOM 2667 CB HIS B 162 39.845 37.630 29.219 1.00 22.91 C +ATOM 2668 CG HIS B 162 39.027 37.378 30.457 1.00 23.22 C +ATOM 2669 ND1 HIS B 162 37.686 37.132 30.412 1.00 25.43 N +ATOM 2670 CD2 HIS B 162 39.427 37.306 31.761 1.00 24.74 C +ATOM 2671 CE1 HIS B 162 37.239 36.935 31.657 1.00 26.99 C +ATOM 2672 NE2 HIS B 162 38.286 37.043 32.481 1.00 24.19 N +ATOM 2673 N ALA B 163 40.933 36.044 26.383 1.00 21.20 N +ATOM 2674 CA ALA B 163 41.363 36.523 25.037 1.00 19.59 C +ATOM 2675 C ALA B 163 40.353 37.584 24.589 1.00 18.93 C +ATOM 2676 O ALA B 163 39.158 37.313 24.679 1.00 22.71 O +ATOM 2677 CB ALA B 163 41.217 35.364 24.064 1.00 19.96 C +ATOM 2678 N LEU B 164 40.815 38.741 24.193 1.00 17.96 N +ATOM 2679 CA LEU B 164 39.910 39.789 23.650 1.00 19.21 C +ATOM 2680 C LEU B 164 40.191 39.914 22.157 1.00 18.86 C +ATOM 2681 O LEU B 164 40.804 39.029 21.556 1.00 18.72 O +ATOM 2682 CB LEU B 164 40.233 41.122 24.345 1.00 16.80 C +ATOM 2683 CG LEU B 164 40.292 40.953 25.913 1.00 17.53 C +ATOM 2684 CD1 LEU B 164 40.719 42.292 26.514 1.00 19.92 C +ATOM 2685 CD2 LEU B 164 38.932 40.517 26.388 1.00 20.29 C +ATOM 2686 N THR B 165 39.710 40.978 21.510 1.00 17.64 N +ATOM 2687 CA THR B 165 40.084 41.196 20.097 1.00 17.07 C +ATOM 2688 C THR B 165 40.311 42.711 20.031 1.00 16.73 C +ATOM 2689 O THR B 165 39.789 43.470 20.876 1.00 19.77 O +ATOM 2690 CB THR B 165 39.019 40.744 19.094 1.00 17.54 C +ATOM 2691 OG1 THR B 165 37.896 41.643 19.075 1.00 18.38 O +ATOM 2692 CG2 THR B 165 38.470 39.355 19.398 1.00 19.68 C +ATOM 2693 N PRO B 166 41.013 43.204 19.014 1.00 16.31 N +ATOM 2694 CA PRO B 166 41.497 42.437 17.934 1.00 18.04 C +ATOM 2695 C PRO B 166 42.570 41.413 18.165 1.00 21.32 C +ATOM 2696 O PRO B 166 43.225 41.358 19.206 1.00 20.13 O +ATOM 2697 CB PRO B 166 42.071 43.513 16.944 1.00 18.99 C +ATOM 2698 CG PRO B 166 41.361 44.770 17.314 1.00 18.24 C +ATOM 2699 CD PRO B 166 41.186 44.681 18.844 1.00 17.89 C +ATOM 2700 N GLN B 167 42.726 40.556 17.140 1.00 17.19 N +ATOM 2701 CA GLN B 167 43.745 39.508 17.096 1.00 21.20 C +ATOM 2702 C GLN B 167 44.533 39.855 15.785 1.00 22.22 C +ATOM 2703 O GLN B 167 43.926 40.018 14.729 1.00 21.57 O +ATOM 2704 CB GLN B 167 43.148 38.131 17.115 1.00 19.04 C +ATOM 2705 CG GLN B 167 42.220 37.984 18.370 1.00 18.09 C +ATOM 2706 CD GLN B 167 42.053 36.570 18.831 1.00 18.73 C +ATOM 2707 OE1 GLN B 167 42.406 35.636 18.150 1.00 18.50 O +ATOM 2708 NE2 GLN B 167 41.563 36.404 20.087 1.00 16.73 N +ATOM 2709 N PHE B 168 45.828 40.044 15.981 1.00 19.76 N +ATOM 2710 CA PHE B 168 46.656 40.615 14.888 1.00 19.53 C +ATOM 2711 C PHE B 168 47.748 39.672 14.441 1.00 21.57 C +ATOM 2712 O PHE B 168 48.556 39.242 15.256 1.00 20.81 O +ATOM 2713 CB PHE B 168 47.226 41.902 15.452 1.00 18.29 C +ATOM 2714 CG PHE B 168 48.030 42.752 14.501 1.00 19.63 C +ATOM 2715 CD1 PHE B 168 49.320 43.131 14.877 1.00 24.50 C +ATOM 2716 CD2 PHE B 168 47.504 43.233 13.330 1.00 20.67 C +ATOM 2717 CE1 PHE B 168 50.052 43.974 14.037 1.00 22.18 C +ATOM 2718 CE2 PHE B 168 48.235 44.035 12.472 1.00 22.05 C +ATOM 2719 CZ PHE B 168 49.503 44.420 12.852 1.00 21.47 C +ATOM 2720 N PHE B 169 47.709 39.307 13.144 1.00 20.67 N +ATOM 2721 CA PHE B 169 48.678 38.301 12.671 1.00 20.14 C +ATOM 2722 C PHE B 169 49.112 38.606 11.236 1.00 21.97 C +ATOM 2723 O PHE B 169 48.397 39.243 10.444 1.00 22.29 O +ATOM 2724 CB PHE B 169 47.920 36.946 12.537 1.00 22.45 C +ATOM 2725 CG PHE B 169 47.259 36.484 13.802 1.00 20.89 C +ATOM 2726 CD1 PHE B 169 45.889 36.586 13.972 1.00 24.79 C +ATOM 2727 CD2 PHE B 169 48.043 35.991 14.839 1.00 23.92 C +ATOM 2728 CE1 PHE B 169 45.305 36.194 15.167 1.00 26.16 C +ATOM 2729 CE2 PHE B 169 47.455 35.610 16.023 1.00 29.32 C +ATOM 2730 CZ PHE B 169 46.088 35.716 16.209 1.00 23.35 C +ATOM 2731 N PRO B 170 50.246 38.039 10.862 1.00 23.63 N +ATOM 2732 CA PRO B 170 50.676 38.116 9.459 1.00 24.48 C +ATOM 2733 C PRO B 170 49.581 37.437 8.614 1.00 23.89 C +ATOM 2734 O PRO B 170 49.088 36.366 8.894 1.00 25.11 O +ATOM 2735 CB PRO B 170 51.973 37.329 9.423 1.00 25.00 C +ATOM 2736 CG PRO B 170 52.477 37.405 10.826 1.00 25.74 C +ATOM 2737 CD PRO B 170 51.194 37.240 11.673 1.00 23.15 C +ATOM 2738 N ARG B 171 49.259 38.082 7.488 1.00 24.06 N +ATOM 2739 CA ARG B 171 48.198 37.651 6.603 1.00 23.74 C +ATOM 2740 C ARG B 171 48.310 36.249 6.075 1.00 24.96 C +ATOM 2741 O ARG B 171 47.372 35.439 6.184 1.00 25.17 O +ATOM 2742 CB ARG B 171 48.134 38.651 5.410 1.00 20.90 C +ATOM 2743 CG ARG B 171 46.960 38.282 4.492 1.00 28.00 C +ATOM 2744 CD ARG B 171 46.836 39.370 3.441 1.00 26.64 C +ATOM 2745 NE ARG B 171 45.994 38.930 2.332 1.00 29.31 N +ATOM 2746 CZ ARG B 171 45.792 39.797 1.297 1.00 29.57 C +ATOM 2747 NH1 ARG B 171 45.016 39.417 0.316 1.00 26.31 N +ATOM 2748 NH2 ARG B 171 46.362 40.991 1.358 1.00 31.47 N +ATOM 2749 N GLU B 172 49.468 35.890 5.536 1.00 26.86 N +ATOM 2750 CA GLU B 172 49.653 34.554 4.977 1.00 27.11 C +ATOM 2751 C GLU B 172 49.644 33.496 6.058 1.00 25.57 C +ATOM 2752 O GLU B 172 49.052 32.420 5.884 1.00 27.29 O +ATOM 2753 CB GLU B 172 50.947 34.536 4.135 1.00 36.94 C +ATOM 2754 CG GLU B 172 51.202 33.207 3.466 1.00 45.89 C +ATOM 2755 CD GLU B 172 52.288 33.230 2.408 1.00 49.45 C +ATOM 2756 OE1 GLU B 172 53.412 33.696 2.684 1.00 49.91 O +ATOM 2757 OE2 GLU B 172 51.998 32.753 1.283 1.00 53.08 O +ATOM 2758 N LEU B 173 50.314 33.786 7.178 1.00 25.52 N +ATOM 2759 CA LEU B 173 50.319 32.848 8.300 1.00 25.94 C +ATOM 2760 C LEU B 173 48.888 32.610 8.758 1.00 25.58 C +ATOM 2761 O LEU B 173 48.425 31.466 8.900 1.00 24.19 O +ATOM 2762 CB LEU B 173 51.178 33.385 9.452 1.00 30.65 C +ATOM 2763 CG LEU B 173 51.304 32.521 10.706 1.00 28.09 C +ATOM 2764 CD1 LEU B 173 51.997 31.193 10.360 1.00 34.86 C +ATOM 2765 CD2 LEU B 173 52.044 33.216 11.828 1.00 31.12 C +ATOM 2766 N LEU B 174 48.133 33.713 8.901 1.00 24.25 N +ATOM 2767 CA LEU B 174 46.749 33.504 9.360 1.00 25.71 C +ATOM 2768 C LEU B 174 45.972 32.663 8.358 1.00 22.63 C +ATOM 2769 O LEU B 174 45.189 31.779 8.697 1.00 24.63 O +ATOM 2770 CB LEU B 174 46.046 34.856 9.558 1.00 23.96 C +ATOM 2771 CG LEU B 174 44.575 34.753 9.960 1.00 23.24 C +ATOM 2772 CD1 LEU B 174 44.436 34.077 11.319 1.00 25.01 C +ATOM 2773 CD2 LEU B 174 44.007 36.189 10.070 1.00 23.00 C +ATOM 2774 N HIS B 175 46.068 33.048 7.073 1.00 22.79 N +ATOM 2775 CA HIS B 175 45.376 32.310 6.040 1.00 23.20 C +ATOM 2776 C HIS B 175 45.684 30.813 6.080 1.00 24.12 C +ATOM 2777 O HIS B 175 44.808 29.955 5.999 1.00 23.74 O +ATOM 2778 CB HIS B 175 45.800 32.868 4.669 1.00 23.45 C +ATOM 2779 CG HIS B 175 45.352 32.014 3.516 1.00 28.18 C +ATOM 2780 ND1 HIS B 175 46.044 30.874 3.152 1.00 28.03 N +ATOM 2781 CD2 HIS B 175 44.295 32.108 2.690 1.00 26.43 C +ATOM 2782 CE1 HIS B 175 45.422 30.289 2.146 1.00 30.43 C +ATOM 2783 NE2 HIS B 175 44.354 31.020 1.834 1.00 25.87 N +ATOM 2784 N ASP B 176 46.966 30.503 6.076 1.00 23.41 N +ATOM 2785 CA ASP B 176 47.412 29.110 5.998 1.00 26.12 C +ATOM 2786 C ASP B 176 46.958 28.281 7.181 1.00 27.30 C +ATOM 2787 O ASP B 176 46.493 27.151 7.061 1.00 27.59 O +ATOM 2788 CB ASP B 176 48.915 29.059 5.843 1.00 29.00 C +ATOM 2789 CG ASP B 176 49.407 29.610 4.523 1.00 29.45 C +ATOM 2790 OD1 ASP B 176 48.575 29.905 3.644 1.00 31.51 O +ATOM 2791 OD2 ASP B 176 50.654 29.769 4.404 1.00 32.98 O +ATOM 2792 N CYS B 177 47.072 28.929 8.351 1.00 28.26 N +ATOM 2793 CA CYS B 177 46.673 28.247 9.546 1.00 28.12 C +ATOM 2794 C CYS B 177 45.184 28.025 9.657 1.00 28.73 C +ATOM 2795 O CYS B 177 44.698 26.956 10.061 1.00 29.34 O +ATOM 2796 CB CYS B 177 47.193 29.041 10.753 1.00 30.02 C +ATOM 2797 SG ACYS B 177 48.936 28.945 11.122 0.65 26.98 S +ATOM 2798 SG BCYS B 177 46.439 28.285 12.154 0.35 27.47 S +ATOM 2799 N LEU B 178 44.361 29.045 9.289 1.00 26.02 N +ATOM 2800 CA LEU B 178 42.917 28.818 9.316 1.00 23.12 C +ATOM 2801 C LEU B 178 42.512 27.751 8.302 1.00 23.57 C +ATOM 2802 O LEU B 178 41.647 26.890 8.549 1.00 25.87 O +ATOM 2803 CB LEU B 178 42.155 30.117 8.952 1.00 21.00 C +ATOM 2804 CG LEU B 178 42.135 31.161 10.064 1.00 24.45 C +ATOM 2805 CD1 LEU B 178 41.544 32.449 9.489 1.00 23.01 C +ATOM 2806 CD2 LEU B 178 41.335 30.668 11.256 1.00 26.05 C +ATOM 2807 N THR B 179 43.178 27.729 7.167 1.00 24.80 N +ATOM 2808 CA THR B 179 42.895 26.707 6.143 1.00 23.81 C +ATOM 2809 C THR B 179 43.269 25.312 6.682 1.00 25.04 C +ATOM 2810 O THR B 179 42.498 24.376 6.475 1.00 27.84 O +ATOM 2811 CB THR B 179 43.666 27.016 4.868 1.00 28.28 C +ATOM 2812 OG1 THR B 179 43.278 28.369 4.423 1.00 24.91 O +ATOM 2813 CG2 THR B 179 43.416 26.014 3.766 1.00 30.07 C +ATOM 2814 N ARG B 180 44.444 25.153 7.256 1.00 26.93 N +ATOM 2815 CA ARG B 180 44.823 23.836 7.830 1.00 28.75 C +ATOM 2816 C ARG B 180 43.779 23.407 8.877 1.00 30.52 C +ATOM 2817 O ARG B 180 43.304 22.271 8.899 1.00 31.83 O +ATOM 2818 CB ARG B 180 46.163 23.959 8.551 1.00 34.37 C +ATOM 2819 CG ARG B 180 47.413 23.731 7.751 1.00 40.31 C +ATOM 2820 CD ARG B 180 48.588 23.308 8.629 1.00 43.54 C +ATOM 2821 NE ARG B 180 48.304 22.114 9.417 1.00 45.48 N +ATOM 2822 CZ ARG B 180 48.997 21.748 10.502 1.00 44.55 C +ATOM 2823 NH1 ARG B 180 48.669 20.637 11.158 1.00 41.53 N +ATOM 2824 NH2 ARG B 180 50.005 22.494 10.925 1.00 46.15 N +ATOM 2825 N ALA B 181 43.423 24.340 9.775 1.00 29.25 N +ATOM 2826 CA ALA B 181 42.448 24.055 10.814 1.00 33.19 C +ATOM 2827 C ALA B 181 41.155 23.512 10.254 1.00 34.68 C +ATOM 2828 O ALA B 181 40.608 22.517 10.774 1.00 37.49 O +ATOM 2829 CB ALA B 181 42.230 25.244 11.731 1.00 30.76 C +ATOM 2830 N LEU B 182 40.627 24.144 9.204 1.00 35.12 N +ATOM 2831 CA LEU B 182 39.410 23.683 8.570 1.00 37.24 C +ATOM 2832 C LEU B 182 39.604 22.354 7.847 1.00 37.40 C +ATOM 2833 O LEU B 182 38.807 21.437 8.056 1.00 39.95 O +ATOM 2834 CB LEU B 182 38.877 24.709 7.556 1.00 36.73 C +ATOM 2835 CG LEU B 182 38.248 25.956 8.165 1.00 35.24 C +ATOM 2836 CD1 LEU B 182 38.102 27.045 7.100 1.00 35.26 C +ATOM 2837 CD2 LEU B 182 36.908 25.614 8.820 1.00 36.21 C +ATOM 2838 N ASN B 183 40.657 22.229 7.049 1.00 36.56 N +ATOM 2839 CA ASN B 183 40.927 21.021 6.292 1.00 36.89 C +ATOM 2840 C ASN B 183 41.128 19.792 7.190 1.00 38.90 C +ATOM 2841 O ASN B 183 40.875 18.662 6.752 1.00 40.47 O +ATOM 2842 CB ASN B 183 42.171 21.193 5.412 1.00 40.22 C +ATOM 2843 CG ASN B 183 41.975 22.183 4.285 1.00 43.27 C +ATOM 2844 OD1 ASN B 183 40.838 22.539 3.963 1.00 49.70 O +ATOM 2845 ND2 ASN B 183 43.056 22.623 3.657 1.00 44.86 N +ATOM 2846 N GLU B 184 41.583 19.997 8.411 1.00 37.98 N +ATOM 2847 CA GLU B 184 41.811 18.858 9.304 1.00 41.84 C +ATOM 2848 C GLU B 184 40.719 18.704 10.331 1.00 42.48 C +ATOM 2849 O GLU B 184 40.857 17.910 11.271 1.00 45.16 O +ATOM 2850 CB GLU B 184 43.183 19.016 9.948 1.00 39.60 C +ATOM 2851 CG GLU B 184 44.296 19.009 8.902 1.00 35.82 C +ATOM 2852 CD GLU B 184 45.589 19.544 9.453 1.00 33.71 C +ATOM 2853 OE1 GLU B 184 46.410 20.023 8.649 1.00 37.30 O +ATOM 2854 OE2 GLU B 184 45.821 19.486 10.679 1.00 40.18 O +ATOM 2855 N GLY B 185 39.642 19.458 10.192 1.00 43.86 N +ATOM 2856 CA GLY B 185 38.506 19.427 11.080 1.00 45.07 C +ATOM 2857 C GLY B 185 38.855 19.688 12.526 1.00 45.84 C +ATOM 2858 O GLY B 185 38.374 19.005 13.445 1.00 47.53 O +ATOM 2859 N ALA B 186 39.707 20.666 12.785 1.00 44.53 N +ATOM 2860 CA ALA B 186 40.120 21.039 14.120 1.00 42.23 C +ATOM 2861 C ALA B 186 39.037 21.929 14.750 1.00 43.00 C +ATOM 2862 O ALA B 186 38.358 22.684 14.035 1.00 41.27 O +ATOM 2863 CB ALA B 186 41.427 21.807 14.100 1.00 43.71 C +ATOM 2864 N THR B 187 38.833 21.756 16.038 1.00 40.96 N +ATOM 2865 CA THR B 187 37.806 22.582 16.713 1.00 40.66 C +ATOM 2866 C THR B 187 38.500 23.819 17.251 1.00 39.81 C +ATOM 2867 O THR B 187 39.418 23.720 18.059 1.00 42.96 O +ATOM 2868 CB THR B 187 37.041 21.799 17.762 1.00 47.49 C +ATOM 2869 OG1 THR B 187 36.640 22.643 18.859 1.00 48.61 O +ATOM 2870 CG2 THR B 187 37.852 20.625 18.289 1.00 46.19 C +ATOM 2871 N ILE B 188 38.181 24.972 16.674 1.00 35.63 N +ATOM 2872 CA ILE B 188 38.788 26.238 17.049 1.00 33.57 C +ATOM 2873 C ILE B 188 37.775 27.256 17.551 1.00 27.33 C +ATOM 2874 O ILE B 188 36.571 27.143 17.278 1.00 28.64 O +ATOM 2875 CB ILE B 188 39.511 26.864 15.835 1.00 32.70 C +ATOM 2876 CG1 ILE B 188 38.585 26.832 14.618 1.00 37.94 C +ATOM 2877 CG2 ILE B 188 40.804 26.101 15.551 1.00 36.08 C +ATOM 2878 CD1 ILE B 188 39.140 27.602 13.421 1.00 41.27 C +ATOM 2879 N THR B 189 38.250 28.281 18.207 1.00 27.35 N +ATOM 2880 CA THR B 189 37.346 29.343 18.740 1.00 26.13 C +ATOM 2881 C THR B 189 37.792 30.675 18.154 1.00 26.24 C +ATOM 2882 O THR B 189 37.235 31.151 17.147 1.00 27.50 O +ATOM 2883 CB THR B 189 37.417 29.387 20.273 1.00 27.91 C +ATOM 2884 OG1 THR B 189 38.809 29.311 20.660 1.00 26.23 O +ATOM 2885 CG2 THR B 189 36.675 28.183 20.865 1.00 35.75 C +ATOM 2886 N ASP B 190 38.857 31.262 18.694 1.00 22.91 N +ATOM 2887 CA ASP B 190 39.323 32.529 18.116 1.00 20.68 C +ATOM 2888 C ASP B 190 40.440 32.256 17.113 1.00 21.05 C +ATOM 2889 O ASP B 190 40.798 31.087 16.867 1.00 20.81 O +ATOM 2890 CB ASP B 190 39.767 33.478 19.215 1.00 20.10 C +ATOM 2891 CG ASP B 190 40.908 32.956 20.078 1.00 20.77 C +ATOM 2892 OD1 ASP B 190 41.389 31.841 19.857 1.00 20.30 O +ATOM 2893 OD2 ASP B 190 41.296 33.721 20.976 1.00 21.46 O +ATOM 2894 N GLU B 191 40.923 33.331 16.492 1.00 19.59 N +ATOM 2895 CA GLU B 191 41.998 33.173 15.490 1.00 21.53 C +ATOM 2896 C GLU B 191 43.267 32.697 16.173 1.00 23.12 C +ATOM 2897 O GLU B 191 44.019 31.894 15.620 1.00 23.35 O +ATOM 2898 CB GLU B 191 42.247 34.495 14.748 1.00 19.22 C +ATOM 2899 CG GLU B 191 41.133 34.846 13.758 1.00 19.39 C +ATOM 2900 CD GLU B 191 39.850 35.243 14.469 1.00 21.22 C +ATOM 2901 OE1 GLU B 191 39.912 35.938 15.504 1.00 25.80 O +ATOM 2902 OE2 GLU B 191 38.792 34.807 14.004 1.00 23.14 O +ATOM 2903 N ALA B 192 43.481 33.138 17.440 1.00 21.39 N +ATOM 2904 CA ALA B 192 44.704 32.642 18.110 1.00 21.04 C +ATOM 2905 C ALA B 192 44.668 31.132 18.243 1.00 21.62 C +ATOM 2906 O ALA B 192 45.749 30.494 18.114 1.00 23.97 O +ATOM 2907 CB ALA B 192 44.809 33.305 19.468 1.00 17.59 C +ATOM 2908 N SER B 193 43.506 30.541 18.471 1.00 19.90 N +ATOM 2909 CA SER B 193 43.374 29.083 18.632 1.00 23.09 C +ATOM 2910 C SER B 193 43.780 28.349 17.361 1.00 26.49 C +ATOM 2911 O SER B 193 44.320 27.226 17.411 1.00 22.41 O +ATOM 2912 CB SER B 193 42.010 28.653 19.122 1.00 26.76 C +ATOM 2913 OG SER B 193 41.004 28.757 18.096 1.00 25.70 O +ATOM 2914 N ALA B 194 43.514 28.961 16.212 1.00 24.82 N +ATOM 2915 CA ALA B 194 43.978 28.368 14.960 1.00 27.43 C +ATOM 2916 C ALA B 194 45.508 28.416 14.980 1.00 27.04 C +ATOM 2917 O ALA B 194 46.129 27.406 14.516 1.00 27.31 O +ATOM 2918 CB ALA B 194 43.419 29.172 13.779 1.00 25.45 C +ATOM 2919 N LEU B 195 46.138 29.527 15.299 1.00 24.81 N +ATOM 2920 CA LEU B 195 47.613 29.622 15.300 1.00 26.06 C +ATOM 2921 C LEU B 195 48.196 28.587 16.252 1.00 27.78 C +ATOM 2922 O LEU B 195 49.241 27.937 15.982 1.00 29.41 O +ATOM 2923 CB LEU B 195 48.127 30.993 15.629 1.00 25.57 C +ATOM 2924 CG LEU B 195 48.384 32.036 14.544 1.00 31.79 C +ATOM 2925 CD1 LEU B 195 49.557 31.648 13.679 1.00 34.20 C +ATOM 2926 CD2 LEU B 195 47.138 32.265 13.684 1.00 27.31 C +ATOM 2927 N GLU B 196 47.568 28.475 17.410 1.00 25.78 N +ATOM 2928 CA GLU B 196 47.987 27.501 18.418 1.00 26.39 C +ATOM 2929 C GLU B 196 47.896 26.104 17.839 1.00 27.44 C +ATOM 2930 O GLU B 196 48.876 25.357 17.964 1.00 26.27 O +ATOM 2931 CB GLU B 196 47.068 27.605 19.656 1.00 27.02 C +ATOM 2932 CG GLU B 196 47.221 28.942 20.376 1.00 25.65 C +ATOM 2933 CD GLU B 196 45.975 29.264 21.213 1.00 25.99 C +ATOM 2934 OE1 GLU B 196 45.356 28.326 21.723 1.00 25.91 O +ATOM 2935 OE2 GLU B 196 45.636 30.456 21.297 1.00 25.43 O +ATOM 2936 N TYR B 197 46.797 25.763 17.165 1.00 26.73 N +ATOM 2937 CA TYR B 197 46.628 24.475 16.520 1.00 28.41 C +ATOM 2938 C TYR B 197 47.770 24.171 15.567 1.00 31.32 C +ATOM 2939 O TYR B 197 48.186 22.982 15.457 1.00 30.51 O +ATOM 2940 CB TYR B 197 45.324 24.352 15.725 1.00 28.75 C +ATOM 2941 CG TYR B 197 45.189 23.040 14.973 1.00 30.20 C +ATOM 2942 CD1 TYR B 197 45.380 22.988 13.598 1.00 27.55 C +ATOM 2943 CD2 TYR B 197 44.936 21.849 15.658 1.00 32.93 C +ATOM 2944 CE1 TYR B 197 45.272 21.792 12.908 1.00 28.62 C +ATOM 2945 CE2 TYR B 197 44.842 20.648 14.959 1.00 33.00 C +ATOM 2946 CZ TYR B 197 45.042 20.625 13.610 1.00 32.12 C +ATOM 2947 OH TYR B 197 44.934 19.441 12.897 1.00 33.43 O +ATOM 2948 N CYS B 198 48.273 25.170 14.879 1.00 31.58 N +ATOM 2949 CA CYS B 198 49.377 25.032 13.946 1.00 33.09 C +ATOM 2950 C CYS B 198 50.743 25.030 14.570 1.00 33.85 C +ATOM 2951 O CYS B 198 51.750 24.974 13.851 1.00 31.95 O +ATOM 2952 CB CYS B 198 49.244 26.096 12.833 1.00 38.89 C +ATOM 2953 SG CYS B 198 47.686 25.731 11.943 1.00 37.37 S +ATOM 2954 N GLY B 199 50.817 25.109 15.899 1.00 30.75 N +ATOM 2955 CA GLY B 199 52.078 25.038 16.615 1.00 31.41 C +ATOM 2956 C GLY B 199 52.676 26.314 17.034 1.00 31.51 C +ATOM 2957 O GLY B 199 53.815 26.381 17.538 1.00 35.04 O +ATOM 2958 N PHE B 200 51.926 27.442 16.923 1.00 26.45 N +ATOM 2959 CA PHE B 200 52.482 28.734 17.294 1.00 25.45 C +ATOM 2960 C PHE B 200 52.020 29.249 18.644 1.00 25.08 C +ATOM 2961 O PHE B 200 51.084 28.713 19.239 1.00 24.53 O +ATOM 2962 CB PHE B 200 52.115 29.760 16.177 1.00 28.40 C +ATOM 2963 CG PHE B 200 52.746 29.364 14.854 1.00 31.10 C +ATOM 2964 CD1 PHE B 200 54.088 29.531 14.635 1.00 33.82 C +ATOM 2965 CD2 PHE B 200 51.949 28.831 13.853 1.00 33.66 C +ATOM 2966 CE1 PHE B 200 54.661 29.175 13.412 1.00 32.75 C +ATOM 2967 CE2 PHE B 200 52.501 28.493 12.632 1.00 35.54 C +ATOM 2968 CZ PHE B 200 53.856 28.681 12.431 1.00 32.72 C +ATOM 2969 N HIS B 201 52.665 30.288 19.171 1.00 26.79 N +ATOM 2970 CA HIS B 201 52.348 30.853 20.484 1.00 27.68 C +ATOM 2971 C HIS B 201 52.242 32.338 20.455 1.00 27.61 C +ATOM 2972 O HIS B 201 53.160 33.102 20.808 1.00 27.28 O +ATOM 2973 CB HIS B 201 53.525 30.430 21.464 1.00 27.41 C +ATOM 2974 CG HIS B 201 53.465 28.940 21.674 1.00 29.45 C +ATOM 2975 ND1 HIS B 201 54.279 28.092 20.911 1.00 35.96 N +ATOM 2976 CD2 HIS B 201 52.705 28.137 22.423 1.00 22.89 C +ATOM 2977 CE1 HIS B 201 54.000 26.838 21.239 1.00 29.02 C +ATOM 2978 NE2 HIS B 201 53.071 26.832 22.152 1.00 32.79 N +ATOM 2979 N PRO B 202 51.094 32.876 19.975 1.00 26.48 N +ATOM 2980 CA PRO B 202 50.916 34.301 19.861 1.00 27.43 C +ATOM 2981 C PRO B 202 51.103 35.084 21.131 1.00 27.40 C +ATOM 2982 O PRO B 202 50.789 34.638 22.238 1.00 27.08 O +ATOM 2983 CB PRO B 202 49.504 34.443 19.290 1.00 25.66 C +ATOM 2984 CG PRO B 202 49.179 33.124 18.683 1.00 27.20 C +ATOM 2985 CD PRO B 202 49.936 32.092 19.525 1.00 26.74 C +ATOM 2986 N GLN B 203 51.548 36.327 21.035 1.00 28.06 N +ATOM 2987 CA GLN B 203 51.770 37.181 22.182 1.00 27.20 C +ATOM 2988 C GLN B 203 50.463 37.631 22.831 1.00 29.38 C +ATOM 2989 O GLN B 203 49.417 37.750 22.178 1.00 27.60 O +ATOM 2990 CB GLN B 203 52.509 38.469 21.736 1.00 34.62 C +ATOM 2991 CG GLN B 203 53.954 38.251 21.321 1.00 40.01 C +ATOM 2992 CD GLN B 203 54.773 37.782 22.524 1.00 45.72 C +ATOM 2993 OE1 GLN B 203 54.830 38.507 23.517 1.00 47.15 O +ATOM 2994 NE2 GLN B 203 55.293 36.567 22.432 1.00 49.28 N +ATOM 2995 N LEU B 204 50.539 37.818 24.153 1.00 26.21 N +ATOM 2996 CA LEU B 204 49.424 38.364 24.907 1.00 24.70 C +ATOM 2997 C LEU B 204 49.733 39.845 25.157 1.00 27.12 C +ATOM 2998 O LEU B 204 50.804 40.171 25.715 1.00 27.91 O +ATOM 2999 CB LEU B 204 49.198 37.645 26.220 1.00 24.96 C +ATOM 3000 CG LEU B 204 48.829 36.164 26.099 1.00 27.42 C +ATOM 3001 CD1 LEU B 204 49.160 35.464 27.422 1.00 28.99 C +ATOM 3002 CD2 LEU B 204 47.357 36.001 25.786 1.00 24.90 C +ATOM 3003 N VAL B 205 48.974 40.728 24.543 1.00 22.22 N +ATOM 3004 CA VAL B 205 49.189 42.170 24.751 1.00 23.36 C +ATOM 3005 C VAL B 205 48.091 42.606 25.712 1.00 24.48 C +ATOM 3006 O VAL B 205 46.908 42.504 25.425 1.00 23.20 O +ATOM 3007 CB VAL B 205 49.121 42.989 23.464 1.00 23.02 C +ATOM 3008 CG1 VAL B 205 49.291 44.462 23.724 1.00 25.29 C +ATOM 3009 CG2 VAL B 205 50.185 42.479 22.471 1.00 24.95 C +ATOM 3010 N GLU B 206 48.520 43.040 26.914 1.00 23.25 N +ATOM 3011 CA GLU B 206 47.484 43.404 27.883 1.00 21.95 C +ATOM 3012 C GLU B 206 46.687 44.617 27.461 1.00 24.23 C +ATOM 3013 O GLU B 206 47.216 45.674 27.097 1.00 26.51 O +ATOM 3014 CB GLU B 206 48.075 43.640 29.284 1.00 27.61 C +ATOM 3015 CG GLU B 206 46.942 43.979 30.267 1.00 27.86 C +ATOM 3016 CD GLU B 206 47.446 43.980 31.714 1.00 34.04 C +ATOM 3017 OE1 GLU B 206 46.622 44.291 32.581 1.00 32.66 O +ATOM 3018 OE2 GLU B 206 48.642 43.706 31.931 1.00 32.92 O +ATOM 3019 N GLY B 207 45.353 44.457 27.459 1.00 22.13 N +ATOM 3020 CA GLY B 207 44.448 45.503 27.084 1.00 25.60 C +ATOM 3021 C GLY B 207 43.455 45.784 28.190 1.00 24.49 C +ATOM 3022 O GLY B 207 43.434 45.017 29.188 1.00 27.11 O +ATOM 3023 N ARG B 208 42.684 46.840 28.057 1.00 24.40 N +ATOM 3024 CA ARG B 208 41.700 47.191 29.066 1.00 23.76 C +ATOM 3025 C ARG B 208 40.621 46.111 29.172 1.00 27.02 C +ATOM 3026 O ARG B 208 40.125 45.606 28.201 1.00 24.97 O +ATOM 3027 CB ARG B 208 41.027 48.510 28.753 1.00 27.10 C +ATOM 3028 CG ARG B 208 41.950 49.705 28.628 1.00 25.67 C +ATOM 3029 CD ARG B 208 41.243 50.800 27.832 1.00 33.79 C +ATOM 3030 NE ARG B 208 40.029 51.258 28.535 1.00 33.51 N +ATOM 3031 CZ ARG B 208 40.031 52.460 29.138 1.00 41.99 C +ATOM 3032 NH1 ARG B 208 38.960 52.910 29.766 1.00 42.30 N +ATOM 3033 NH2 ARG B 208 41.147 53.192 29.099 1.00 43.59 N +ATOM 3034 N ALA B 209 40.215 45.812 30.433 1.00 24.03 N +ATOM 3035 CA ALA B 209 39.167 44.828 30.647 1.00 24.53 C +ATOM 3036 C ALA B 209 37.799 45.318 30.253 1.00 23.71 C +ATOM 3037 O ALA B 209 36.844 44.527 30.126 1.00 24.48 O +ATOM 3038 CB ALA B 209 39.191 44.401 32.138 1.00 24.29 C +ATOM 3039 N ASP B 210 37.623 46.645 30.031 1.00 23.37 N +ATOM 3040 CA ASP B 210 36.317 47.157 29.618 1.00 23.57 C +ATOM 3041 C ASP B 210 36.066 47.038 28.125 1.00 22.86 C +ATOM 3042 O ASP B 210 35.062 47.517 27.583 1.00 21.93 O +ATOM 3043 CB ASP B 210 36.071 48.556 30.133 1.00 26.39 C +ATOM 3044 CG ASP B 210 36.946 49.632 29.570 1.00 32.67 C +ATOM 3045 OD1 ASP B 210 36.758 50.815 30.021 1.00 37.24 O +ATOM 3046 OD2 ASP B 210 37.831 49.388 28.731 1.00 30.54 O +ATOM 3047 N ASN B 211 36.965 46.338 27.429 1.00 20.62 N +ATOM 3048 CA ASN B 211 36.760 46.038 25.980 1.00 19.54 C +ATOM 3049 C ASN B 211 35.902 44.770 25.942 1.00 23.51 C +ATOM 3050 O ASN B 211 36.270 43.693 25.472 1.00 24.02 O +ATOM 3051 CB ASN B 211 38.161 45.759 25.390 1.00 20.91 C +ATOM 3052 CG ASN B 211 38.143 45.371 23.926 1.00 22.66 C +ATOM 3053 OD1 ASN B 211 37.162 45.565 23.230 1.00 22.16 O +ATOM 3054 ND2 ASN B 211 39.278 44.819 23.447 1.00 19.21 N +ATOM 3055 N ILE B 212 34.631 44.939 26.409 1.00 22.40 N +ATOM 3056 CA ILE B 212 33.736 43.813 26.503 1.00 23.52 C +ATOM 3057 C ILE B 212 33.010 43.415 25.242 1.00 23.36 C +ATOM 3058 O ILE B 212 32.800 44.212 24.334 1.00 23.20 O +ATOM 3059 CB ILE B 212 32.651 44.080 27.591 1.00 27.53 C +ATOM 3060 CG1 ILE B 212 31.804 45.278 27.191 1.00 29.25 C +ATOM 3061 CG2 ILE B 212 33.369 44.279 28.919 1.00 29.89 C +ATOM 3062 CD1 ILE B 212 30.593 45.580 28.025 1.00 36.08 C +ATOM 3063 N LYS B 213 32.531 42.176 25.248 1.00 22.10 N +ATOM 3064 CA LYS B 213 31.728 41.690 24.123 1.00 24.36 C +ATOM 3065 C LYS B 213 30.234 41.759 24.496 1.00 28.24 C +ATOM 3066 O LYS B 213 29.864 41.182 25.526 1.00 29.96 O +ATOM 3067 CB LYS B 213 32.117 40.257 23.783 1.00 26.38 C +ATOM 3068 CG LYS B 213 31.465 39.730 22.502 1.00 27.58 C +ATOM 3069 CD LYS B 213 32.005 38.309 22.187 1.00 32.50 C +ATOM 3070 CE LYS B 213 31.235 37.787 20.964 1.00 35.80 C +ATOM 3071 NZ LYS B 213 31.567 36.352 20.701 1.00 45.63 N +ATOM 3072 N VAL B 214 29.420 42.342 23.648 1.00 29.26 N +ATOM 3073 CA VAL B 214 27.968 42.435 23.899 1.00 29.19 C +ATOM 3074 C VAL B 214 27.290 41.157 23.390 1.00 31.42 C +ATOM 3075 O VAL B 214 27.219 40.916 22.176 1.00 30.25 O +ATOM 3076 CB VAL B 214 27.386 43.672 23.235 1.00 28.04 C +ATOM 3077 CG1 VAL B 214 25.859 43.767 23.488 1.00 29.05 C +ATOM 3078 CG2 VAL B 214 28.050 44.936 23.763 1.00 23.27 C +ATOM 3079 N THR B 215 26.901 40.280 24.331 1.00 32.33 N +ATOM 3080 CA THR B 215 26.269 39.022 23.938 1.00 35.39 C +ATOM 3081 C THR B 215 24.881 38.827 24.541 1.00 38.57 C +ATOM 3082 O THR B 215 24.099 38.017 23.997 1.00 40.30 O +ATOM 3083 CB THR B 215 27.130 37.800 24.255 1.00 37.50 C +ATOM 3084 OG1 THR B 215 27.429 37.682 25.630 1.00 38.54 O +ATOM 3085 CG2 THR B 215 28.458 37.843 23.493 1.00 41.22 C +ATOM 3086 N ARG B 216 24.560 39.507 25.600 1.00 37.64 N +ATOM 3087 CA ARG B 216 23.263 39.406 26.274 1.00 42.98 C +ATOM 3088 C ARG B 216 22.670 40.798 26.396 1.00 42.38 C +ATOM 3089 O ARG B 216 23.393 41.801 26.349 1.00 41.74 O +ATOM 3090 CB ARG B 216 23.385 38.697 27.617 1.00 41.30 C +ATOM 3091 CG ARG B 216 23.344 37.176 27.519 1.00 47.09 C +ATOM 3092 CD ARG B 216 21.927 36.682 27.224 1.00 49.60 C +ATOM 3093 N PRO B 217 21.367 40.894 26.620 1.00 44.29 N +ATOM 3094 CA PRO B 217 20.684 42.167 26.717 1.00 43.60 C +ATOM 3095 C PRO B 217 21.210 43.110 27.749 1.00 42.40 C +ATOM 3096 O PRO B 217 21.248 44.339 27.522 1.00 43.26 O +ATOM 3097 CB PRO B 217 19.222 41.811 26.891 1.00 44.08 C +ATOM 3098 CG PRO B 217 19.178 40.385 27.281 1.00 46.34 C +ATOM 3099 CD PRO B 217 20.431 39.747 26.737 1.00 45.51 C +ATOM 3100 N GLU B 218 21.745 42.634 28.876 1.00 42.73 N +ATOM 3101 CA GLU B 218 22.266 43.545 29.900 1.00 42.42 C +ATOM 3102 C GLU B 218 23.612 44.150 29.540 1.00 41.62 C +ATOM 3103 O GLU B 218 24.040 45.153 30.111 1.00 39.32 O +ATOM 3104 CB GLU B 218 22.414 42.770 31.221 1.00 49.86 C +ATOM 3105 CG GLU B 218 23.252 41.518 31.087 1.00 51.71 C +ATOM 3106 CD GLU B 218 22.472 40.267 30.764 1.00 54.13 C +ATOM 3107 OE1 GLU B 218 22.971 39.163 31.114 1.00 52.69 O +ATOM 3108 OE2 GLU B 218 21.381 40.349 30.156 1.00 53.22 O +ATOM 3109 N ASP B 219 24.325 43.522 28.598 1.00 40.16 N +ATOM 3110 CA ASP B 219 25.640 43.992 28.181 1.00 37.40 C +ATOM 3111 C ASP B 219 25.575 45.323 27.474 1.00 36.87 C +ATOM 3112 O ASP B 219 26.552 46.082 27.430 1.00 38.94 O +ATOM 3113 CB ASP B 219 26.308 42.945 27.270 1.00 37.04 C +ATOM 3114 CG ASP B 219 26.636 41.644 27.936 1.00 36.99 C +ATOM 3115 OD1 ASP B 219 26.759 41.566 29.172 1.00 41.41 O +ATOM 3116 OD2 ASP B 219 26.775 40.611 27.235 1.00 39.22 O +ATOM 3117 N LEU B 220 24.435 45.646 26.878 1.00 33.85 N +ATOM 3118 CA LEU B 220 24.201 46.856 26.161 1.00 35.44 C +ATOM 3119 C LEU B 220 24.307 48.095 27.030 1.00 36.94 C +ATOM 3120 O LEU B 220 24.935 49.088 26.676 1.00 36.09 O +ATOM 3121 CB LEU B 220 22.825 46.831 25.468 1.00 37.78 C +ATOM 3122 CG LEU B 220 22.649 47.937 24.413 1.00 42.55 C +ATOM 3123 CD1 LEU B 220 23.464 47.607 23.173 1.00 42.92 C +ATOM 3124 CD2 LEU B 220 21.177 48.127 24.061 1.00 45.25 C +ATOM 3125 N ALA B 221 23.678 48.047 28.224 1.00 37.10 N +ATOM 3126 CA ALA B 221 23.785 49.239 29.096 1.00 36.17 C +ATOM 3127 C ALA B 221 25.206 49.409 29.602 1.00 33.64 C +ATOM 3128 O ALA B 221 25.688 50.547 29.717 1.00 33.97 O +ATOM 3129 CB ALA B 221 22.781 49.165 30.222 1.00 36.66 C +ATOM 3130 N LEU B 222 25.888 48.310 29.893 1.00 33.19 N +ATOM 3131 CA LEU B 222 27.268 48.328 30.369 1.00 32.43 C +ATOM 3132 C LEU B 222 28.194 48.923 29.296 1.00 31.78 C +ATOM 3133 O LEU B 222 29.105 49.680 29.577 1.00 30.45 O +ATOM 3134 CB LEU B 222 27.740 46.918 30.657 1.00 37.53 C +ATOM 3135 CG LEU B 222 28.752 46.608 31.718 1.00 41.87 C +ATOM 3136 CD1 LEU B 222 29.547 45.346 31.370 1.00 40.15 C +ATOM 3137 CD2 LEU B 222 29.673 47.743 32.092 1.00 42.42 C +ATOM 3138 N ALA B 223 27.985 48.451 28.055 1.00 30.60 N +ATOM 3139 CA ALA B 223 28.781 49.006 26.939 1.00 29.03 C +ATOM 3140 C ALA B 223 28.538 50.496 26.811 1.00 28.27 C +ATOM 3141 O ALA B 223 29.454 51.311 26.608 1.00 30.46 O +ATOM 3142 CB ALA B 223 28.408 48.256 25.669 1.00 25.90 C +ATOM 3143 N GLU B 224 27.286 50.931 26.949 1.00 31.52 N +ATOM 3144 CA GLU B 224 26.979 52.369 26.862 1.00 31.56 C +ATOM 3145 C GLU B 224 27.717 53.147 27.931 1.00 29.88 C +ATOM 3146 O GLU B 224 28.335 54.197 27.708 1.00 31.87 O +ATOM 3147 CB GLU B 224 25.466 52.565 26.996 1.00 37.59 C +ATOM 3148 CG GLU B 224 25.063 54.034 27.081 1.00 44.16 C +ATOM 3149 CD GLU B 224 23.570 54.227 26.910 1.00 47.33 C +ATOM 3150 OE1 GLU B 224 22.784 53.552 27.611 1.00 50.27 O +ATOM 3151 OE2 GLU B 224 23.177 55.063 26.075 1.00 51.35 O +ATOM 3152 N PHE B 225 27.666 52.638 29.170 1.00 30.09 N +ATOM 3153 CA PHE B 225 28.365 53.271 30.272 1.00 28.56 C +ATOM 3154 C PHE B 225 29.837 53.456 29.946 1.00 30.69 C +ATOM 3155 O PHE B 225 30.411 54.533 30.097 1.00 30.12 O +ATOM 3156 CB PHE B 225 28.229 52.376 31.530 1.00 32.18 C +ATOM 3157 CG PHE B 225 29.101 52.873 32.653 1.00 33.99 C +ATOM 3158 CD1 PHE B 225 30.303 52.269 32.930 1.00 35.20 C +ATOM 3159 CD2 PHE B 225 28.714 53.989 33.393 1.00 34.92 C +ATOM 3160 CE1 PHE B 225 31.123 52.733 33.953 1.00 35.63 C +ATOM 3161 CE2 PHE B 225 29.529 54.453 34.415 1.00 37.07 C +ATOM 3162 CZ PHE B 225 30.729 53.833 34.694 1.00 36.18 C +ATOM 3163 N TYR B 226 30.474 52.384 29.436 1.00 28.96 N +ATOM 3164 CA TYR B 226 31.882 52.455 29.097 1.00 31.03 C +ATOM 3165 C TYR B 226 32.136 53.438 27.968 1.00 31.82 C +ATOM 3166 O TYR B 226 33.145 54.149 27.985 1.00 33.80 O +ATOM 3167 CB TYR B 226 32.419 51.070 28.686 1.00 33.05 C +ATOM 3168 CG TYR B 226 32.639 50.091 29.814 1.00 32.81 C +ATOM 3169 CD1 TYR B 226 32.472 48.728 29.613 1.00 32.54 C +ATOM 3170 CD2 TYR B 226 33.059 50.524 31.071 1.00 35.25 C +ATOM 3171 CE1 TYR B 226 32.671 47.817 30.635 1.00 33.32 C +ATOM 3172 CE2 TYR B 226 33.250 49.620 32.112 1.00 37.05 C +ATOM 3173 CZ TYR B 226 33.068 48.278 31.880 1.00 35.34 C +ATOM 3174 OH TYR B 226 33.280 47.365 32.889 1.00 34.35 O +ATOM 3175 N LEU B 227 31.236 53.491 26.990 1.00 33.27 N +ATOM 3176 CA LEU B 227 31.445 54.366 25.833 1.00 38.92 C +ATOM 3177 C LEU B 227 31.425 55.825 26.225 1.00 42.86 C +ATOM 3178 O LEU B 227 32.315 56.605 25.858 1.00 43.34 O +ATOM 3179 CB LEU B 227 30.466 54.042 24.708 1.00 36.13 C +ATOM 3180 CG LEU B 227 30.936 52.959 23.725 1.00 37.39 C +ATOM 3181 CD1 LEU B 227 30.006 52.878 22.523 1.00 37.56 C +ATOM 3182 CD2 LEU B 227 32.365 53.243 23.254 1.00 37.00 C +ATOM 3183 N THR B 228 30.460 56.175 27.076 1.00 43.63 N +ATOM 3184 CA THR B 228 30.386 57.552 27.601 1.00 49.66 C +ATOM 3185 C THR B 228 31.677 57.823 28.380 1.00 52.25 C +ATOM 3186 O THR B 228 32.184 58.940 28.408 1.00 53.68 O +ATOM 3187 CB THR B 228 29.139 57.696 28.470 1.00 50.53 C +ATOM 3188 OG1 THR B 228 28.001 57.344 27.644 1.00 53.11 O +ATOM 3189 CG2 THR B 228 28.980 59.105 28.997 1.00 50.51 C +ATOM 3190 N ARG B 229 32.266 56.762 28.885 1.00 54.68 N +ATOM 3191 CA ARG B 229 33.492 56.608 29.584 1.00 56.72 C +ATOM 3192 C ARG B 229 33.404 56.995 31.048 1.00 57.71 C +ATOM 3193 O ARG B 229 32.426 56.609 31.727 1.00 60.59 O +ATOM 3194 CB ARG B 229 34.675 57.249 28.868 1.00 53.75 C +ATOM 3195 CG ARG B 229 34.973 56.768 27.472 1.00 56.74 C +ATOM 3196 CD ARG B 229 35.798 55.503 27.403 1.00 55.81 C +TER 3197 ARG B 229 +HETATM 3198 O HOH A 237 33.923 36.238 30.793 1.00 24.25 O +HETATM 3199 O HOH A 238 26.379 30.591 68.091 1.00 24.07 O +HETATM 3200 O HOH A 239 39.282 22.933 44.114 1.00 26.95 O +HETATM 3201 O HOH A 240 28.500 43.599 44.238 1.00 25.77 O +HETATM 3202 O HOH A 241 25.473 41.279 68.942 1.00 22.02 O +HETATM 3203 O HOH A 242 25.033 37.922 41.220 1.00 24.80 O +HETATM 3204 O HOH A 243 36.037 19.689 61.785 1.00 27.56 O +HETATM 3205 O HOH A 244 44.175 16.957 54.884 1.00 29.46 O +HETATM 3206 O HOH A 245 38.173 29.013 25.928 1.00 28.22 O +HETATM 3207 O HOH A 246 24.360 42.064 41.294 1.00 31.37 O +HETATM 3208 O HOH A 247 25.162 36.062 34.676 1.00 32.82 O +HETATM 3209 O HOH A 248 35.590 40.472 27.608 1.00 26.19 O +HETATM 3210 O HOH A 249 28.934 17.489 47.676 1.00 28.13 O +HETATM 3211 O HOH A 250 33.108 28.707 64.587 1.00 26.02 O +HETATM 3212 O HOH A 251 31.048 40.449 38.414 1.00 30.90 O +HETATM 3213 O HOH A 252 41.921 17.873 49.959 1.00 25.73 O +HETATM 3214 O HOH A 253 17.804 28.284 60.805 1.00 28.97 O +HETATM 3215 O HOH A 254 22.617 40.457 65.048 1.00 26.41 O +HETATM 3216 O HOH A 255 38.637 19.144 62.472 1.00 31.87 O +HETATM 3217 O HOH A 256 35.022 31.392 71.077 1.00 33.78 O +HETATM 3218 O HOH A 257 38.439 39.686 56.989 1.00 43.86 O +HETATM 3219 O HOH A 258 40.495 23.777 47.893 1.00 28.21 O +HETATM 3220 O HOH A 259 30.094 43.924 35.578 1.00 40.57 O +HETATM 3221 O HOH A 260 18.991 40.996 65.982 1.00 29.61 O +HETATM 3222 O HOH A 261 29.095 26.845 63.800 1.00 30.45 O +HETATM 3223 O HOH A 262 25.690 20.297 44.674 1.00 33.18 O +HETATM 3224 O HOH A 263 22.873 39.948 42.064 1.00 27.81 O +HETATM 3225 O HOH A 264 22.848 46.107 46.067 1.00 29.20 O +HETATM 3226 O HOH A 265 29.479 36.658 32.801 1.00 36.39 O +HETATM 3227 O HOH A 266 36.737 43.979 66.624 1.00 35.16 O +HETATM 3228 O HOH A 267 16.379 41.286 57.431 1.00 30.78 O +HETATM 3229 O HOH A 268 25.277 20.224 57.651 1.00 28.68 O +HETATM 3230 O HOH A 269 29.731 18.331 58.913 1.00 33.99 O +HETATM 3231 O HOH A 270 35.009 20.860 64.139 1.00 34.49 O +HETATM 3232 O HOH A 271 35.390 33.917 71.278 1.00 30.74 O +HETATM 3233 O HOH A 272 34.953 36.921 46.285 1.00 47.25 O +HETATM 3234 O HOH A 273 24.418 19.102 55.166 1.00 30.98 O +HETATM 3235 O HOH A 274 34.781 40.683 52.850 1.00 30.36 O +HETATM 3236 O HOH A 275 31.958 37.947 37.478 1.00 32.07 O +HETATM 3237 O HOH A 276 30.879 29.218 30.311 1.00 38.68 O +HETATM 3238 O HOH A 277 30.719 27.846 65.801 1.00 33.84 O +HETATM 3239 O HOH A 278 46.031 25.343 31.680 1.00 31.63 O +HETATM 3240 O HOH A 279 28.209 24.644 34.019 1.00 29.37 O +HETATM 3241 O HOH A 280 34.556 41.977 40.395 1.00 36.71 O +HETATM 3242 O HOH A 281 22.588 50.103 48.476 1.00 50.81 O +HETATM 3243 O HOH A 282 13.831 30.976 50.553 1.00 35.10 O +HETATM 3244 O HOH A 283 51.340 30.418 33.182 1.00 35.83 O +HETATM 3245 O HOH A 284 41.087 21.290 47.090 1.00 33.17 O +HETATM 3246 O HOH A 285 19.222 44.390 46.768 1.00 41.43 O +HETATM 3247 O HOH A 286 26.891 37.021 32.642 1.00 33.88 O +HETATM 3248 O HOH A 287 22.547 47.414 48.540 1.00 44.39 O +HETATM 3249 O HOH A 288 36.826 27.271 24.574 1.00 40.41 O +HETATM 3250 O HOH A 289 28.628 24.084 64.191 1.00 40.20 O +HETATM 3251 O HOH A 290 34.968 17.273 62.018 1.00 35.89 O +HETATM 3252 O HOH A 291 17.261 39.909 64.124 1.00 30.02 O +HETATM 3253 O HOH A 292 35.197 42.189 50.247 1.00 37.47 O +HETATM 3254 O HOH A 293 12.822 34.254 48.629 1.00 37.99 O +HETATM 3255 O HOH A 294 36.956 13.763 51.517 1.00 28.05 O +HETATM 3256 O HOH A 295 29.137 56.381 37.863 1.00 36.24 O +HETATM 3257 O HOH A 296 21.745 28.885 37.651 1.00 39.21 O +HETATM 3258 O HOH A 297 14.306 39.814 58.280 1.00 47.47 O +HETATM 3259 O HOH A 298 36.893 34.673 68.015 1.00 34.52 O +HETATM 3260 O HOH A 299 29.982 27.999 32.279 1.00 40.49 O +HETATM 3261 O HOH A 300 37.528 37.817 70.114 1.00 42.54 O +HETATM 3262 O HOH A 301 38.570 54.296 52.519 1.00 39.93 O +HETATM 3263 O HOH A 302 26.070 43.741 33.268 1.00 39.38 O +HETATM 3264 O HOH A 303 22.705 54.935 39.478 1.00 52.96 O +HETATM 3265 O HOH A 304 20.846 52.612 38.442 1.00 63.47 O +HETATM 3266 O HOH A 305 14.491 34.954 42.428 1.00 48.64 O +HETATM 3267 O HOH A 306 44.559 29.859 53.191 1.00 47.40 O +HETATM 3268 O HOH A 307 23.730 48.152 69.433 1.00 44.15 O +HETATM 3269 O HOH A 308 14.163 31.954 48.045 1.00 32.61 O +HETATM 3270 O HOH A 309 41.538 28.088 46.986 1.00 34.42 O +HETATM 3271 O HOH A 310 36.706 25.697 64.769 1.00 36.22 O +HETATM 3272 O HOH A 311 53.166 32.368 34.061 1.00 51.13 O +HETATM 3273 O HOH A 312 23.839 52.491 56.783 1.00 55.43 O +HETATM 3274 O HOH A 313 29.804 30.090 70.057 1.00 32.81 O +HETATM 3275 O HOH A 314 17.114 35.757 39.565 1.00 43.08 O +HETATM 3276 O HOH A 315 31.483 34.449 50.425 1.00 34.86 O +HETATM 3277 O HOH A 316 16.741 37.482 65.137 1.00 38.73 O +HETATM 3278 O HOH A 317 19.853 21.931 44.903 1.00 39.51 O +HETATM 3279 O HOH A 318 26.868 18.413 58.715 1.00 34.88 O +HETATM 3280 O HOH A 319 12.505 36.455 43.611 1.00 46.75 O +HETATM 3281 O HOH A 320 22.153 29.278 34.825 1.00 43.66 O +HETATM 3282 O HOH A 321 35.251 46.261 67.652 1.00 39.02 O +HETATM 3283 O HOH A 322 36.837 38.084 43.567 1.00 43.81 O +HETATM 3284 O HOH A 323 34.046 21.497 45.048 1.00 35.29 O +HETATM 3285 O HOH A 324 40.057 34.314 65.024 1.00 57.18 O +HETATM 3286 O HOH A 325 17.101 43.986 43.812 1.00 39.39 O +HETATM 3287 O HOH A 326 33.322 39.654 40.809 1.00 41.38 O +HETATM 3288 O HOH B 237 34.529 46.233 23.434 1.00 20.41 O +HETATM 3289 O HOH B 238 41.411 45.348 25.449 1.00 22.58 O +HETATM 3290 O HOH B 239 35.315 52.345 21.269 1.00 26.07 O +HETATM 3291 O HOH B 240 41.348 33.493 2.026 1.00 25.61 O +HETATM 3292 O HOH B 241 37.316 35.697 23.652 1.00 24.41 O +HETATM 3293 O HOH B 242 38.171 49.147 26.014 1.00 24.88 O +HETATM 3294 O HOH B 243 35.863 37.011 21.550 1.00 27.27 O +HETATM 3295 O HOH B 244 32.909 40.536 27.660 1.00 28.48 O +HETATM 3296 O HOH B 245 40.609 31.191 40.399 1.00 25.35 O +HETATM 3297 O HOH B 246 33.617 36.082 -0.478 1.00 23.02 O +HETATM 3298 O HOH B 247 26.181 40.453 -0.197 1.00 30.26 O +HETATM 3299 O HOH B 248 45.351 25.806 22.372 1.00 27.59 O +HETATM 3300 O HOH B 249 23.389 44.186 3.300 1.00 30.06 O +HETATM 3301 O HOH B 250 50.837 51.671 16.905 1.00 28.30 O +HETATM 3302 O HOH B 251 32.459 39.023 15.132 1.00 25.06 O +HETATM 3303 O HOH B 252 39.285 39.643 36.077 1.00 27.57 O +HETATM 3304 O HOH B 253 38.111 37.385 35.203 1.00 26.07 O +HETATM 3305 O HOH B 254 33.764 37.152 39.702 1.00 31.51 O +HETATM 3306 O HOH B 255 31.139 39.769 17.796 1.00 29.06 O +HETATM 3307 O HOH B 256 47.116 25.752 4.671 1.00 33.47 O +HETATM 3308 O HOH B 257 52.255 50.792 14.673 1.00 31.96 O +HETATM 3309 O HOH B 258 23.183 53.436 12.561 1.00 28.62 O +HETATM 3310 O HOH B 259 40.330 48.492 24.517 1.00 26.78 O +HETATM 3311 O HOH B 260 45.219 36.068 2.360 1.00 30.00 O +HETATM 3312 O HOH B 261 29.314 43.712 -1.143 1.00 33.03 O +HETATM 3313 O HOH B 262 41.295 46.163 -0.937 1.00 33.35 O +HETATM 3314 O HOH B 263 32.218 54.965 19.225 1.00 32.28 O +HETATM 3315 O HOH B 264 50.721 35.700 32.499 1.00 30.93 O +HETATM 3316 O HOH B 265 45.022 58.013 23.473 1.00 39.30 O +HETATM 3317 O HOH B 266 25.074 38.672 8.442 1.00 31.90 O +HETATM 3318 O HOH B 267 51.699 37.949 5.112 1.00 31.51 O +HETATM 3319 O HOH B 268 34.842 50.648 -0.492 1.00 34.84 O +HETATM 3320 O HOH B 269 41.243 28.704 2.399 1.00 31.49 O +HETATM 3321 O HOH B 270 39.820 52.762 19.102 1.00 31.69 O +HETATM 3322 O HOH B 271 34.141 53.467 18.686 1.00 29.74 O +HETATM 3323 O HOH B 272 45.052 50.895 27.449 1.00 36.57 O +HETATM 3324 O HOH B 273 26.680 39.432 19.884 1.00 35.87 O +HETATM 3325 O HOH B 274 60.604 37.988 16.373 1.00 37.78 O +HETATM 3326 O HOH B 275 35.874 35.882 42.313 1.00 33.58 O +HETATM 3327 O HOH B 276 28.490 22.043 33.744 1.00 36.95 O +HETATM 3328 O HOH B 277 40.378 30.926 1.449 1.00 28.17 O +HETATM 3329 O HOH B 278 41.049 24.095 33.582 1.00 38.12 O +HETATM 3330 O HOH B 279 22.340 44.053 0.823 1.00 47.46 O +HETATM 3331 O HOH B 280 35.403 29.028 13.022 1.00 32.88 O +HETATM 3332 O HOH B 281 26.763 43.416 -0.099 1.00 30.61 O +HETATM 3333 O HOH B 282 38.312 55.113 19.141 1.00 33.66 O +HETATM 3334 O HOH B 283 37.167 41.713 29.705 1.00 41.16 O +HETATM 3335 O HOH B 284 43.358 34.759 0.498 1.00 36.72 O +HETATM 3336 O HOH B 285 43.897 24.433 37.614 1.00 35.27 O +HETATM 3337 O HOH B 286 35.761 55.405 17.705 1.00 39.18 O +HETATM 3338 O HOH B 287 32.607 21.347 33.127 1.00 34.57 O +HETATM 3339 O HOH B 288 43.733 24.814 18.872 1.00 41.29 O +HETATM 3340 O HOH B 289 38.515 32.504 12.726 1.00 39.00 O +HETATM 3341 O HOH B 290 51.526 46.178 8.436 1.00 38.78 O +HETATM 3342 O HOH B 291 44.699 30.667 41.530 1.00 34.81 O +HETATM 3343 O HOH B 292 19.857 49.290 16.276 1.00 37.83 O +HETATM 3344 O HOH B 293 45.718 22.996 4.407 1.00 45.58 O +HETATM 3345 O HOH B 294 52.112 53.734 13.645 1.00 39.80 O +HETATM 3346 O HOH B 295 40.845 25.462 45.793 1.00 33.79 O +HETATM 3347 O HOH B 296 43.185 41.259 -1.617 1.00 31.46 O +HETATM 3348 O HOH B 297 47.114 36.565 34.325 1.00 32.36 O +HETATM 3349 O HOH B 298 32.134 55.825 16.782 1.00 38.65 O +HETATM 3350 O HOH B 299 42.765 27.217 0.438 1.00 43.06 O +HETATM 3351 O HOH B 300 21.942 54.317 23.709 1.00 41.29 O +HETATM 3352 O HOH B 301 36.405 28.625 3.732 1.00 40.75 O +HETATM 3353 O HOH B 302 30.118 38.401 26.309 1.00 44.13 O +HETATM 3354 O HOH B 303 37.556 40.935 37.884 1.00 46.77 O +HETATM 3355 O HOH B 304 32.997 25.391 8.167 1.00 43.70 O +HETATM 3356 O HOH B 305 37.902 40.417 32.020 1.00 38.28 O +HETATM 3357 O HOH B 306 39.219 38.124 16.466 1.00 36.03 O +HETATM 3358 O HOH B 307 44.208 46.768 2.568 1.00 35.33 O +HETATM 3359 O HOH B 308 20.533 32.439 9.428 1.00 44.73 O +HETATM 3360 O HOH B 309 33.708 35.565 22.872 1.00 36.93 O +HETATM 3361 O HOH B 310 31.326 51.455 1.300 1.00 39.43 O +HETATM 3362 O HOH B 311 37.682 30.639 14.261 1.00 37.07 O +HETATM 3363 O HOH B 312 42.090 33.450 44.231 1.00 50.63 O +HETATM 3364 O HOH B 313 42.690 30.709 -0.269 1.00 39.01 O +HETATM 3365 O HOH B 314 35.394 24.914 15.030 1.00 48.40 O +HETATM 3366 O HOH B 315 39.042 48.676 31.938 1.00 41.14 O +HETATM 3367 O HOH B 316 41.637 46.808 32.703 1.00 39.00 O +HETATM 3368 O HOH B 317 49.060 35.618 36.712 1.00 41.70 O +HETATM 3369 O HOH B 318 35.614 31.511 3.062 1.00 44.75 O +HETATM 3370 O HOH B 319 34.914 44.034 32.204 1.00 48.83 O +HETATM 3371 O HOH B 320 47.621 34.822 2.186 1.00 38.03 O +HETATM 3372 O HOH B 321 34.566 33.770 -1.071 1.00 40.64 O +HETATM 3373 O HOH B 322 52.562 52.979 18.766 1.00 35.96 O +HETATM 3374 O HOH B 323 22.575 33.938 17.631 1.00 42.37 O +HETATM 3375 O HOH B 324 44.132 44.679 31.910 1.00 40.02 O +HETATM 3376 O HOH B 325 31.078 35.229 11.140 1.00 52.56 O +HETATM 3377 O HOH B 326 21.889 42.558 16.440 1.00 41.89 O +HETATM 3378 O HOH B 327 41.141 31.228 43.206 1.00 35.57 O +HETATM 3379 O HOH B 328 49.331 31.494 1.630 1.00 47.68 O +HETATM 3380 O HOH B 329 45.814 36.170 36.640 1.00 38.34 O +HETATM 3381 O HOH B 330 45.544 33.228 -0.455 1.00 43.72 O +HETATM 3382 O HOH B 331 38.372 57.960 7.537 1.00 43.22 O +HETATM 3383 O HOH B 332 23.153 32.563 4.779 1.00 43.98 O +HETATM 3384 O HOH B 333 32.333 32.839 0.713 1.00 59.90 O +HETATM 3385 O HOH B 334 35.068 34.320 45.549 1.00 56.79 O +HETATM 3386 O HOH B 335 34.614 26.071 18.842 1.00 49.05 O +HETATM 3387 O HOH B 336 28.636 54.984 10.986 1.00 43.01 O +HETATM 3388 O HOH B 337 33.306 57.966 9.362 1.00 51.74 O +HETATM 3389 O HOH B 338 48.081 35.769 39.183 1.00 51.14 O +HETATM 3390 O HOH B 339 38.602 27.058 3.080 1.00 43.78 O +HETATM 3391 O HOH B 340 52.941 46.039 22.263 1.00 45.31 O +HETATM 3392 O HOH B 341 48.933 53.300 23.037 1.00 42.68 O +HETATM 3393 O HOH B 342 28.207 37.727 13.908 1.00 47.80 O +HETATM 3394 O HOH B 343 35.118 39.882 36.672 1.00 39.24 O +CONECT 1212 1368 +CONECT 1368 1212 +CONECT 2798 2953 +CONECT 2953 2798 +MASTER 322 0 0 18 30 0 0 6 3373 2 4 38 +END diff --git a/tests/integration/tests/SID_ERMS_Rescore/inputs/1VGX.pdb b/tests/integration/tests/SID_ERMS_Rescore/inputs/1VGX.pdb new file mode 100644 index 00000000000..6f14f33148e --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/inputs/1VGX.pdb @@ -0,0 +1,3870 @@ +HEADER TRANSFERASE 03-NOV-03 1VGT +TITLE CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL +TITLE 2 SYNTHASE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE; +COMPND 3 CHAIN: A, B; +COMPND 4 SYNONYM: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE, MEP +COMPND 5 CYTIDYLYLTRANSFERASE, MCT, CDP-ME SYNTHETASE; +COMPND 6 EC: 2.7.7.60; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; +SOURCE 3 ORGANISM_TAXID: 562; +SOURCE 4 GENE: ISPD, B2747; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS STRUCTURAL GENOMICS, TRANSFERASE +EXPDTA X-RAY DIFFRACTION +AUTHOR STRUCTURAL GENOMIX +REVDAT 7 27-DEC-23 1VGT 1 REMARK +REVDAT 6 04-OCT-17 1VGT 1 REMARK +REVDAT 5 13-JUL-11 1VGT 1 VERSN +REVDAT 4 24-FEB-09 1VGT 1 VERSN +REVDAT 3 30-AUG-05 1VGT 1 JRNL +REVDAT 2 30-DEC-03 1VGT 1 JRNL +REVDAT 1 25-NOV-03 1VGT 0 +JRNL AUTH J.BADGER,J.M.SAUDER,J.M.ADAMS,S.ANTONYSAMY,K.BAIN, +JRNL AUTH 2 M.G.BERGSEID,S.G.BUCHANAN,M.D.BUCHANAN,Y.BATIYENKO, +JRNL AUTH 3 J.A.CHRISTOPHER,S.EMTAGE,A.EROSHKINA,I.FEIL,E.B.FURLONG, +JRNL AUTH 4 K.S.GAJIWALA,X.GAO,D.HE,J.HENDLE,A.HUBER,K.HODA,P.KEARINS, +JRNL AUTH 5 C.KISSINGER,B.LAUBERT,H.A.LEWIS,J.LIN,K.LOOMIS,D.LORIMER, +JRNL AUTH 6 G.LOUIE,M.MALETIC,C.D.MARSH,I.MILLER,J.MOLINARI, +JRNL AUTH 7 H.J.MULLER-DIECKMANN,J.M.NEWMAN,B.W.NOLAND,B.PAGARIGAN, +JRNL AUTH 8 F.PARK,T.S.PEAT,K.W.POST,S.RADOJICIC,A.RAMOS,R.ROMERO, +JRNL AUTH 9 M.E.RUTTER,W.E.SANDERSON,K.D.SCHWINN,J.TRESSER,J.WINHOVEN, +JRNL AUTH10 T.A.WRIGHT,L.WU,J.XU,T.J.HARRIS +JRNL TITL STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A +JRNL TITL 2 BACTERIAL GENOMICS PROJECT +JRNL REF PROTEINS V. 60 787 2005 +JRNL REFN ISSN 0887-3585 +JRNL PMID 16021622 +JRNL DOI 10.1002/PROT.20541 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 4.0 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.65 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 40898 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.224 +REMARK 3 FREE R VALUE : 0.253 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2071 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3176 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 197 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.22 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 0.93100 +REMARK 3 B22 (A**2) : 0.38600 +REMARK 3 B33 (A**2) : -1.31600 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): NULL +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.028 ; NULL +REMARK 3 ANGLE DISTANCE (A) : 2.398 ; NULL +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.013 ; NULL +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.174 ; NULL +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : NULL ; NULL +REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL +REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 2.878 ; NULL +REMARK 3 STAGGERED (DEGREES) : NULL ; NULL +REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.151 ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.318 ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.402 ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.985 ; NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1VGT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-03. +REMARK 100 THE DEPOSITION ID IS D_1000001852. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 32-ID +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9795, 0.9641, 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE +REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40899 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 22.650 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 +REMARK 200 DATA REDUNDANCY : 6.600 +REMARK 200 R MERGE (I) : 0.05800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 17.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 +REMARK 200 COMPLETENESS FOR SHELL (%) : 96.8 +REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.45500 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 4.600 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SE-MET MAD PHASING +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 42.64 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.19250 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 69.19250 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.43300 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 39.39150 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA,PQS +REMARK 350 TOTAL BURIED SURFACE AREA: 3240 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 18220 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A -1 +REMARK 465 SER A 0 +REMARK 465 LEU A 1 +REMARK 465 ALA A 2 +REMARK 465 THR A 3 +REMARK 465 THR A 4 +REMARK 465 HIS A 5 +REMARK 465 GLY A 16 +REMARK 465 PHE A 17 +REMARK 465 GLY A 18 +REMARK 465 ARG A 19 +REMARK 465 ARG A 20 +REMARK 465 MET A 21 +REMARK 465 GLN A 22 +REMARK 465 THR A 23 +REMARK 465 GLU A 24 +REMARK 465 CYS A 25 +REMARK 465 PRO A 60 +REMARK 465 GLY A 61 +REMARK 465 ASP A 62 +REMARK 465 ARG A 216 +REMARK 465 PRO A 217 +REMARK 465 THR A 228 +REMARK 465 ARG A 229 +REMARK 465 THR A 230 +REMARK 465 ILE A 231 +REMARK 465 HIS A 232 +REMARK 465 GLN A 233 +REMARK 465 GLU A 234 +REMARK 465 ASN A 235 +REMARK 465 THR A 236 +REMARK 465 MET B -1 +REMARK 465 SER B 0 +REMARK 465 LEU B 1 +REMARK 465 ALA B 2 +REMARK 465 THR B 3 +REMARK 465 THR B 4 +REMARK 465 HIS B 5 +REMARK 465 ARG B 19 +REMARK 465 ARG B 20 +REMARK 465 MET B 21 +REMARK 465 GLN B 22 +REMARK 465 THR B 23 +REMARK 465 GLU B 24 +REMARK 465 CYS B 25 +REMARK 465 THR B 230 +REMARK 465 ILE B 231 +REMARK 465 HIS B 232 +REMARK 465 GLN B 233 +REMARK 465 GLU B 234 +REMARK 465 ASN B 235 +REMARK 465 THR B 236 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ASP A 83 CG OD1 OD2 +REMARK 470 LYS A 148 CD CE NZ +REMARK 470 GLU A 172 CD OE1 OE2 +REMARK 470 GLN A 203 CD OE1 NE2 +REMARK 470 GLU A 218 CG CD OE1 OE2 +REMARK 470 LYS B 27 CD CE NZ +REMARK 470 ARG B 64 CG CD NE CZ NH1 NH2 +REMARK 470 GLN B 67 CG CD OE1 NE2 +REMARK 470 ASP B 83 CG OD1 OD2 +REMARK 470 ASP B 98 CG OD1 OD2 +REMARK 470 GLU B 125 CG CD OE1 OE2 +REMARK 470 ARG B 128 CD NE CZ NH1 NH2 +REMARK 470 LYS B 148 CG CD CE NZ +REMARK 470 ARG B 216 NE CZ NH1 NH2 +REMARK 470 ARG B 229 NE CZ NH1 NH2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 LEU A 103 CA - CB - CG ANGL. DEV. = 14.9 DEGREES +REMARK 500 ARG A 171 CD - NE - CZ ANGL. DEV. = 11.2 DEGREES +REMARK 500 CYS A 177 CA - CB - SG ANGL. DEV. = 11.9 DEGREES +REMARK 500 ARG A 180 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES +REMARK 500 TYR A 197 CB - CG - CD1 ANGL. DEV. = -5.5 DEGREES +REMARK 500 ARG B 53 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 ARG B 143 CD - NE - CZ ANGL. DEV. = 16.4 DEGREES +REMARK 500 ARG B 143 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASN A 149 57.24 -102.42 +REMARK 500 THR A 189 -77.40 -104.67 +REMARK 500 ALA B 108 32.78 -99.83 +REMARK 500 ASP B 139 -156.66 -109.71 +REMARK 500 ASN B 149 57.26 -97.94 +REMARK 500 LEU B 164 -165.96 -109.88 +REMARK 500 THR B 189 -78.44 -122.77 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1VGT A 2 236 UNP Q46893 ISPD_ECOLI 1 235 +DBREF 1VGT B 2 236 UNP Q46893 ISPD_ECOLI 1 235 +SEQADV 1VGT MET A -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER A 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU A 1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT MET B -1 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT SER B 0 UNP Q46893 CLONING ARTIFACT +SEQADV 1VGT LEU B 1 UNP Q46893 CLONING ARTIFACT +SEQRES 1 A 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 A 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 A 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 A 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 A 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 A 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 A 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 A 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 A 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 A 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 A 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 A 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 A 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 A 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 A 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 A 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 A 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 A 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 A 238 GLN GLU ASN THR +SEQRES 1 B 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL +SEQRES 2 B 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU +SEQRES 3 B 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE +SEQRES 4 B 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG +SEQRES 5 B 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER +SEQRES 6 B 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE +SEQRES 7 B 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL +SEQRES 8 B 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL +SEQRES 9 B 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP +SEQRES 10 B 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG +SEQRES 11 B 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET +SEQRES 12 B 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR +SEQRES 13 B 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN +SEQRES 14 B 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG +SEQRES 15 B 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER +SEQRES 16 B 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU +SEQRES 17 B 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP +SEQRES 18 B 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS +SEQRES 19 B 238 GLN GLU ASN THR +FORMUL 3 HOH *197(H2 O) +HELIX 1 1 PRO A 26 TYR A 29 5 4 +HELIX 2 2 ILE A 37 ALA A 47 1 11 +HELIX 3 3 SER A 63 LEU A 68 1 6 +HELIX 4 4 PRO A 69 HIS A 73 5 5 +HELIX 5 5 GLU A 84 ALA A 95 1 12 +HELIX 6 6 HIS A 113 ALA A 122 1 10 +HELIX 7 7 ALA A 122 SER A 127 1 6 +HELIX 8 8 ARG A 171 GLU A 184 1 14 +HELIX 9 9 ASP A 190 GLY A 199 1 10 +HELIX 10 10 GLU A 218 LEU A 227 1 10 +HELIX 11 11 ILE B 37 ALA B 47 1 11 +HELIX 12 12 ARG B 64 HIS B 73 5 10 +HELIX 13 13 GLU B 84 LYS B 94 1 11 +HELIX 14 14 HIS B 113 ALA B 122 1 10 +HELIX 15 15 ALA B 122 SER B 127 1 6 +HELIX 16 16 ARG B 171 GLU B 184 1 14 +HELIX 17 17 ASP B 190 CYS B 198 1 9 +HELIX 18 18 GLU B 218 ARG B 229 1 12 +SHEET 1 A 7 ILE A 76 ASP A 80 0 +SHEET 2 A 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 A 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 A 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 A 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 A 7 GLY A 131 PRO A 136 -1 N ALA A 135 O HIS A 162 +SHEET 7 A 7 GLN A 203 GLU A 206 1 O VAL A 205 N ILE A 132 +SHEET 1 B 7 ILE A 76 ASP A 80 0 +SHEET 2 B 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 +SHEET 3 B 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 +SHEET 4 B 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 +SHEET 5 B 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 +SHEET 6 B 7 MET B 141 ALA B 144 -1 O LYS B 142 N TRP A 161 +SHEET 7 B 7 ILE B 151 VAL B 155 -1 O HIS B 153 N ARG B 143 +SHEET 1 C 2 SER A 31 ILE A 32 0 +SHEET 2 C 2 GLN A 35 THR A 36 -1 O GLN A 35 N ILE A 32 +SHEET 1 D 7 ILE A 151 VAL A 155 0 +SHEET 2 D 7 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 D 7 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 D 7 TRP B 101 VAL B 104 -1 N VAL B 102 O PHE B 169 +SHEET 5 D 7 VAL B 8 ALA B 14 1 N VAL B 11 O LEU B 103 +SHEET 6 D 7 VAL B 51 ILE B 58 1 O VAL B 55 N ALA B 10 +SHEET 7 D 7 ILE B 76 ASP B 80 1 O THR B 77 N ILE B 56 +SHEET 1 E 5 ILE A 151 VAL A 155 0 +SHEET 2 E 5 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 +SHEET 3 E 5 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 +SHEET 4 E 5 GLY B 131 PRO B 136 -1 N ALA B 135 O HIS B 162 +SHEET 5 E 5 GLN B 203 GLU B 206 1 O VAL B 205 N ILE B 132 +SHEET 1 F 2 SER B 31 ILE B 32 0 +SHEET 2 F 2 GLN B 35 THR B 36 -1 O GLN B 35 N ILE B 32 +SSBOND 1 CYS A 177 CYS A 198 1555 1555 2.10 +SSBOND 2 CYS B 177 CYS B 198 1555 1555 2.85 +CISPEP 1 THR A 165 PRO A 166 0 3.49 +CISPEP 2 THR B 165 PRO B 166 0 4.29 +CRYST1 40.866 78.783 138.385 90.00 90.00 90.00 P 21 21 21 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.024470 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.012693 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.007226 0.00000 +ATOM 1 N LEU A 6 14.062 28.153 58.701 1.00 42.92 N +ATOM 2 CA LEU A 6 14.250 29.073 57.602 1.00 40.74 C +ATOM 3 C LEU A 6 15.174 30.233 57.953 1.00 37.63 C +ATOM 4 O LEU A 6 15.776 30.811 57.034 1.00 37.92 O +ATOM 5 CB LEU A 6 12.946 29.615 57.039 1.00 42.62 C +ATOM 6 CG LEU A 6 12.026 28.747 56.211 1.00 48.58 C +ATOM 7 CD1 LEU A 6 10.760 29.545 55.789 1.00 49.08 C +ATOM 8 CD2 LEU A 6 12.730 28.279 54.921 1.00 48.00 C +ATOM 9 N ASP A 7 15.347 30.597 59.211 1.00 35.36 N +ATOM 10 CA ASP A 7 16.219 31.721 59.539 1.00 33.08 C +ATOM 11 C ASP A 7 17.647 31.508 59.038 1.00 30.64 C +ATOM 12 O ASP A 7 18.235 30.450 59.206 1.00 31.48 O +ATOM 13 CB ASP A 7 16.298 31.960 61.046 1.00 39.91 C +ATOM 14 CG ASP A 7 14.963 32.324 61.666 1.00 45.41 C +ATOM 15 OD1 ASP A 7 14.068 32.779 60.942 1.00 42.12 O +ATOM 16 OD2 ASP A 7 14.865 32.111 62.903 1.00 51.03 O +ATOM 17 N VAL A 8 18.219 32.580 58.515 1.00 29.24 N +ATOM 18 CA VAL A 8 19.582 32.577 58.013 1.00 26.32 C +ATOM 19 C VAL A 8 20.378 33.663 58.744 1.00 26.07 C +ATOM 20 O VAL A 8 19.828 34.721 59.056 1.00 23.30 O +ATOM 21 CB VAL A 8 19.553 32.940 56.507 1.00 27.57 C +ATOM 22 CG1 VAL A 8 20.917 33.197 55.937 1.00 25.06 C +ATOM 23 CG2 VAL A 8 18.849 31.818 55.708 1.00 27.58 C +ATOM 24 N CYS A 9 21.647 33.380 59.038 1.00 22.43 N +ATOM 25 CA CYS A 9 22.489 34.415 59.632 1.00 20.76 C +ATOM 26 C CYS A 9 23.617 34.669 58.572 1.00 22.17 C +ATOM 27 O CYS A 9 24.091 33.678 58.035 1.00 22.96 O +ATOM 28 CB CYS A 9 23.172 33.926 60.913 1.00 23.02 C +ATOM 29 SG CYS A 9 24.164 35.158 61.723 1.00 21.81 S +ATOM 30 N ALA A 10 23.795 35.906 58.197 1.00 20.70 N +ATOM 31 CA ALA A 10 24.857 36.210 57.215 1.00 20.32 C +ATOM 32 C ALA A 10 26.130 36.546 57.982 1.00 21.15 C +ATOM 33 O ALA A 10 26.079 36.968 59.149 1.00 21.25 O +ATOM 34 CB ALA A 10 24.412 37.410 56.383 1.00 21.33 C +ATOM 35 N VAL A 11 27.269 36.364 57.353 1.00 19.68 N +ATOM 36 CA VAL A 11 28.560 36.673 57.937 1.00 20.51 C +ATOM 37 C VAL A 11 29.330 37.507 56.877 1.00 23.30 C +ATOM 38 O VAL A 11 29.366 37.053 55.730 1.00 21.76 O +ATOM 39 CB VAL A 11 29.371 35.442 58.295 1.00 21.79 C +ATOM 40 CG1 VAL A 11 30.808 35.768 58.680 1.00 20.65 C +ATOM 41 CG2 VAL A 11 28.700 34.707 59.476 1.00 21.30 C +ATOM 42 N VAL A 12 29.839 38.650 57.318 1.00 21.83 N +ATOM 43 CA VAL A 12 30.615 39.489 56.374 1.00 23.64 C +ATOM 44 C VAL A 12 32.010 39.602 56.958 1.00 28.72 C +ATOM 45 O VAL A 12 32.194 40.293 57.986 1.00 30.27 O +ATOM 46 CB VAL A 12 30.006 40.872 56.176 1.00 26.69 C +ATOM 47 CG1 VAL A 12 30.849 41.745 55.203 1.00 24.66 C +ATOM 48 CG2 VAL A 12 28.598 40.783 55.611 1.00 24.43 C +ATOM 49 N PRO A 13 32.979 38.927 56.387 1.00 27.83 N +ATOM 50 CA PRO A 13 34.358 39.022 56.922 1.00 31.17 C +ATOM 51 C PRO A 13 34.880 40.386 56.541 1.00 33.27 C +ATOM 52 O PRO A 13 34.938 40.764 55.378 1.00 34.75 O +ATOM 53 CB PRO A 13 35.049 37.840 56.313 1.00 31.04 C +ATOM 54 CG PRO A 13 34.195 37.278 55.269 1.00 27.98 C +ATOM 55 CD PRO A 13 32.901 38.061 55.206 1.00 30.65 C +ATOM 56 N ALA A 14 35.172 41.259 57.521 1.00 36.76 N +ATOM 57 CA ALA A 14 35.593 42.618 57.176 1.00 40.08 C +ATOM 58 C ALA A 14 36.796 43.108 57.946 1.00 42.28 C +ATOM 59 O ALA A 14 36.921 44.309 58.225 1.00 43.55 O +ATOM 60 CB ALA A 14 34.401 43.555 57.347 1.00 37.20 C +ATOM 61 N ALA A 15 37.704 42.194 58.311 1.00 43.70 N +ATOM 62 CA ALA A 15 38.889 42.580 59.077 1.00 45.75 C +ATOM 63 C ALA A 15 40.148 42.616 58.211 1.00 48.62 C +ATOM 64 O ALA A 15 40.094 42.371 56.995 1.00 50.27 O +ATOM 65 CB ALA A 15 39.093 41.598 60.227 1.00 46.95 C +ATOM 66 N PRO A 26 40.471 49.533 53.116 1.00 48.01 N +ATOM 67 CA PRO A 26 39.555 50.648 52.914 1.00 46.95 C +ATOM 68 C PRO A 26 38.569 50.451 51.814 1.00 43.12 C +ATOM 69 O PRO A 26 37.569 51.187 51.731 1.00 41.74 O +ATOM 70 CB PRO A 26 40.541 51.775 52.542 1.00 48.84 C +ATOM 71 CG PRO A 26 41.722 51.509 53.392 1.00 49.92 C +ATOM 72 CD PRO A 26 41.686 50.069 53.821 1.00 50.28 C +ATOM 73 N LYS A 27 38.763 49.451 50.926 1.00 39.80 N +ATOM 74 CA LYS A 27 37.774 49.319 49.847 1.00 37.54 C +ATOM 75 C LYS A 27 36.351 49.369 50.315 1.00 33.88 C +ATOM 76 O LYS A 27 35.518 50.143 49.837 1.00 34.01 O +ATOM 77 CB LYS A 27 38.070 48.092 48.974 1.00 41.12 C +ATOM 78 CG LYS A 27 39.320 48.291 48.103 1.00 47.56 C +ATOM 79 CD LYS A 27 39.255 49.619 47.352 1.00 48.51 C +ATOM 80 CE LYS A 27 40.613 50.048 46.835 1.00 53.82 C +ATOM 81 NZ LYS A 27 41.738 49.528 47.669 1.00 55.97 N +ATOM 82 N GLN A 28 35.998 48.623 51.371 1.00 35.18 N +ATOM 83 CA GLN A 28 34.642 48.612 51.870 1.00 35.98 C +ATOM 84 C GLN A 28 34.276 49.915 52.583 1.00 34.55 C +ATOM 85 O GLN A 28 33.102 50.153 52.823 1.00 33.76 O +ATOM 86 CB GLN A 28 34.424 47.418 52.811 1.00 40.38 C +ATOM 87 CG GLN A 28 35.011 47.637 54.195 1.00 45.79 C +ATOM 88 CD GLN A 28 36.424 47.122 54.295 1.00 51.58 C +ATOM 89 OE1 GLN A 28 37.246 47.369 53.402 1.00 58.72 O +ATOM 90 NE2 GLN A 28 36.702 46.379 55.362 1.00 53.77 N +ATOM 91 N TYR A 29 35.263 50.777 52.811 1.00 35.63 N +ATOM 92 CA TYR A 29 34.984 52.065 53.459 1.00 37.51 C +ATOM 93 C TYR A 29 34.909 53.196 52.470 1.00 39.63 C +ATOM 94 O TYR A 29 34.765 54.369 52.817 1.00 40.92 O +ATOM 95 CB TYR A 29 35.959 52.302 54.607 1.00 37.98 C +ATOM 96 CG TYR A 29 35.770 51.337 55.768 1.00 37.37 C +ATOM 97 CD1 TYR A 29 36.864 50.803 56.425 1.00 36.72 C +ATOM 98 CD2 TYR A 29 34.502 50.976 56.184 1.00 36.22 C +ATOM 99 CE1 TYR A 29 36.682 49.896 57.477 1.00 40.68 C +ATOM 100 CE2 TYR A 29 34.312 50.086 57.224 1.00 38.28 C +ATOM 101 CZ TYR A 29 35.407 49.562 57.869 1.00 38.96 C +ATOM 102 OH TYR A 29 35.199 48.694 58.908 1.00 44.10 O +ATOM 103 N LEU A 30 34.967 52.869 51.164 1.00 40.51 N +ATOM 104 CA LEU A 30 34.800 53.887 50.120 1.00 39.07 C +ATOM 105 C LEU A 30 33.295 54.172 50.068 1.00 40.41 C +ATOM 106 O LEU A 30 32.534 53.320 50.529 1.00 39.58 O +ATOM 107 CB LEU A 30 35.317 53.436 48.783 1.00 37.56 C +ATOM 108 CG LEU A 30 36.830 53.203 48.658 1.00 40.11 C +ATOM 109 CD1 LEU A 30 37.145 52.571 47.307 1.00 38.72 C +ATOM 110 CD2 LEU A 30 37.567 54.534 48.822 1.00 43.54 C +ATOM 111 N SER A 31 32.866 55.299 49.527 1.00 40.29 N +ATOM 112 CA SER A 31 31.454 55.620 49.540 1.00 40.19 C +ATOM 113 C SER A 31 30.831 55.869 48.185 1.00 41.90 C +ATOM 114 O SER A 31 31.418 56.398 47.258 1.00 42.47 O +ATOM 115 CB SER A 31 31.213 56.889 50.396 1.00 43.79 C +ATOM 116 OG SER A 31 31.289 56.599 51.775 1.00 47.84 O +ATOM 117 N ILE A 32 29.554 55.529 48.114 1.00 41.34 N +ATOM 118 CA ILE A 32 28.716 55.715 46.969 1.00 43.56 C +ATOM 119 C ILE A 32 27.380 56.275 47.488 1.00 44.17 C +ATOM 120 O ILE A 32 26.647 55.593 48.191 1.00 42.60 O +ATOM 121 CB ILE A 32 28.473 54.448 46.142 1.00 43.22 C +ATOM 122 CG1 ILE A 32 29.761 53.964 45.477 1.00 44.56 C +ATOM 123 CG2 ILE A 32 27.400 54.719 45.092 1.00 45.58 C +ATOM 124 CD1 ILE A 32 29.630 52.661 44.717 1.00 45.28 C +ATOM 125 N GLY A 33 27.175 57.566 47.208 1.00 43.72 N +ATOM 126 CA GLY A 33 25.941 58.207 47.686 1.00 44.40 C +ATOM 127 C GLY A 33 26.098 58.461 49.181 1.00 44.98 C +ATOM 128 O GLY A 33 27.204 58.759 49.644 1.00 44.29 O +ATOM 129 N ASN A 34 25.057 58.211 49.957 1.00 47.11 N +ATOM 130 CA ASN A 34 25.104 58.441 51.394 1.00 51.08 C +ATOM 131 C ASN A 34 25.772 57.354 52.192 1.00 50.03 C +ATOM 132 O ASN A 34 25.687 57.343 53.435 1.00 51.75 O +ATOM 133 CB ASN A 34 23.636 58.592 51.896 1.00 58.30 C +ATOM 134 CG ASN A 34 22.694 57.553 51.343 1.00 64.14 C +ATOM 135 OD1 ASN A 34 23.064 56.646 50.588 1.00 69.65 O +ATOM 136 ND2 ASN A 34 21.413 57.664 51.719 1.00 67.38 N +ATOM 137 N GLN A 35 26.288 56.298 51.532 1.00 48.28 N +ATOM 138 CA GLN A 35 26.793 55.154 52.284 1.00 44.54 C +ATOM 139 C GLN A 35 28.072 54.518 51.805 1.00 42.00 C +ATOM 140 O GLN A 35 28.410 54.557 50.622 1.00 40.63 O +ATOM 141 CB GLN A 35 25.662 54.069 52.223 1.00 48.13 C +ATOM 142 CG GLN A 35 24.290 54.594 52.523 1.00 52.20 C +ATOM 143 CD GLN A 35 23.125 53.676 52.492 1.00 57.02 C +ATOM 144 OE1 GLN A 35 22.079 53.929 53.118 1.00 59.31 O +ATOM 145 NE2 GLN A 35 23.229 52.559 51.774 1.00 58.90 N +ATOM 146 N THR A 36 28.772 53.861 52.734 1.00 37.41 N +ATOM 147 CA THR A 36 29.999 53.162 52.448 1.00 34.94 C +ATOM 148 C THR A 36 29.612 51.853 51.690 1.00 33.89 C +ATOM 149 O THR A 36 28.449 51.485 51.689 1.00 31.24 O +ATOM 150 CB THR A 36 30.875 52.795 53.624 1.00 36.54 C +ATOM 151 OG1 THR A 36 30.254 51.834 54.493 1.00 31.74 O +ATOM 152 CG2 THR A 36 31.236 54.039 54.451 1.00 36.21 C +ATOM 153 N ILE A 37 30.610 51.305 51.033 1.00 32.88 N +ATOM 154 CA ILE A 37 30.347 50.075 50.238 1.00 28.92 C +ATOM 155 C ILE A 37 29.846 48.989 51.200 1.00 30.15 C +ATOM 156 O ILE A 37 28.819 48.376 50.908 1.00 30.44 O +ATOM 157 CB ILE A 37 31.580 49.647 49.475 1.00 29.50 C +ATOM 158 CG1 ILE A 37 31.981 50.727 48.451 1.00 31.17 C +ATOM 159 CG2 ILE A 37 31.308 48.313 48.746 1.00 30.72 C +ATOM 160 CD1 ILE A 37 31.063 50.858 47.264 1.00 32.08 C +ATOM 161 N LEU A 38 30.521 48.834 52.329 1.00 29.72 N +ATOM 162 CA LEU A 38 30.119 47.886 53.363 1.00 27.90 C +ATOM 163 C LEU A 38 28.642 48.050 53.688 1.00 28.20 C +ATOM 164 O LEU A 38 27.896 47.063 53.816 1.00 27.48 O +ATOM 165 CB LEU A 38 30.969 48.049 54.623 1.00 30.95 C +ATOM 166 CG LEU A 38 30.576 47.112 55.800 1.00 30.46 C +ATOM 167 CD1 LEU A 38 30.749 45.663 55.412 1.00 22.99 C +ATOM 168 CD2 LEU A 38 31.378 47.461 57.037 1.00 30.02 C +ATOM 169 N GLU A 39 28.155 49.289 53.874 1.00 28.38 N +ATOM 170 CA GLU A 39 26.725 49.468 54.195 1.00 27.68 C +ATOM 171 C GLU A 39 25.814 49.014 53.098 1.00 27.58 C +ATOM 172 O GLU A 39 24.706 48.516 53.283 1.00 27.83 O +ATOM 173 CB GLU A 39 26.447 50.965 54.525 1.00 32.94 C +ATOM 174 CG GLU A 39 27.153 51.448 55.788 1.00 33.26 C +ATOM 175 CD GLU A 39 27.178 52.979 55.886 1.00 37.51 C +ATOM 176 OE1 GLU A 39 28.137 53.623 55.415 1.00 33.33 O +ATOM 177 OE2 GLU A 39 26.206 53.538 56.443 1.00 41.17 O +ATOM 178 N HIS A 40 26.175 49.287 51.819 1.00 26.22 N +ATOM 179 CA HIS A 40 25.429 48.892 50.679 1.00 28.24 C +ATOM 180 C HIS A 40 25.347 47.326 50.665 1.00 24.65 C +ATOM 181 O HIS A 40 24.295 46.809 50.393 1.00 27.82 O +ATOM 182 CB HIS A 40 26.099 49.344 49.358 1.00 28.55 C +ATOM 183 CG HIS A 40 25.939 50.815 49.080 1.00 29.88 C +ATOM 184 ND1 HIS A 40 24.759 51.372 48.706 1.00 33.53 N +ATOM 185 CD2 HIS A 40 26.835 51.823 49.080 1.00 30.91 C +ATOM 186 CE1 HIS A 40 24.901 52.669 48.503 1.00 34.34 C +ATOM 187 NE2 HIS A 40 26.179 52.967 48.738 1.00 29.90 N +ATOM 188 N SER A 41 26.462 46.720 50.897 1.00 27.07 N +ATOM 189 CA SER A 41 26.566 45.236 50.903 1.00 25.76 C +ATOM 190 C SER A 41 25.724 44.658 52.029 1.00 26.72 C +ATOM 191 O SER A 41 24.880 43.809 51.822 1.00 27.35 O +ATOM 192 CB SER A 41 28.015 44.851 51.077 1.00 26.97 C +ATOM 193 OG SER A 41 28.172 43.464 51.344 1.00 34.42 O +ATOM 194 N VAL A 42 25.847 45.261 53.220 1.00 28.47 N +ATOM 195 CA VAL A 42 25.025 44.742 54.347 1.00 27.51 C +ATOM 196 C VAL A 42 23.546 44.915 54.106 1.00 28.30 C +ATOM 197 O VAL A 42 22.701 44.048 54.371 1.00 25.51 O +ATOM 198 CB VAL A 42 25.459 45.381 55.656 1.00 29.28 C +ATOM 199 CG1 VAL A 42 24.489 45.007 56.787 1.00 33.72 C +ATOM 200 CG2 VAL A 42 26.884 45.061 56.034 1.00 29.96 C +ATOM 201 N HIS A 43 23.126 46.097 53.662 1.00 29.02 N +ATOM 202 CA HIS A 43 21.716 46.362 53.407 1.00 30.86 C +ATOM 203 C HIS A 43 21.124 45.459 52.359 1.00 27.92 C +ATOM 204 O HIS A 43 19.963 45.091 52.418 1.00 27.71 O +ATOM 205 CB HIS A 43 21.531 47.853 53.020 1.00 37.84 C +ATOM 206 CG HIS A 43 21.560 48.722 54.243 1.00 43.72 C +ATOM 207 ND1 HIS A 43 22.410 49.790 54.391 1.00 46.93 N +ATOM 208 CD2 HIS A 43 20.841 48.635 55.399 1.00 42.69 C +ATOM 209 CE1 HIS A 43 22.214 50.334 55.581 1.00 48.92 C +ATOM 210 NE2 HIS A 43 21.269 49.650 56.204 1.00 47.14 N +ATOM 211 N ALA A 44 21.952 45.011 51.393 1.00 27.80 N +ATOM 212 CA ALA A 44 21.406 44.101 50.376 1.00 28.50 C +ATOM 213 C ALA A 44 21.083 42.766 51.016 1.00 25.74 C +ATOM 214 O ALA A 44 20.161 42.049 50.605 1.00 27.86 O +ATOM 215 CB ALA A 44 22.467 43.936 49.271 1.00 27.17 C +ATOM 216 N LEU A 45 21.906 42.365 51.984 1.00 24.10 N +ATOM 217 CA LEU A 45 21.679 41.071 52.654 1.00 22.81 C +ATOM 218 C LEU A 45 20.436 41.173 53.548 1.00 24.68 C +ATOM 219 O LEU A 45 19.571 40.294 53.543 1.00 25.64 O +ATOM 220 CB LEU A 45 22.906 40.744 53.539 1.00 22.89 C +ATOM 221 CG LEU A 45 24.232 40.466 52.829 1.00 25.94 C +ATOM 222 CD1 LEU A 45 25.411 40.363 53.800 1.00 22.96 C +ATOM 223 CD2 LEU A 45 24.154 39.175 52.012 1.00 25.03 C +ATOM 224 N LEU A 46 20.336 42.301 54.254 1.00 25.53 N +ATOM 225 CA LEU A 46 19.218 42.532 55.187 1.00 29.86 C +ATOM 226 C LEU A 46 17.880 42.734 54.494 1.00 32.45 C +ATOM 227 O LEU A 46 16.811 42.530 55.086 1.00 31.86 O +ATOM 228 CB LEU A 46 19.534 43.729 56.085 1.00 28.35 C +ATOM 229 CG LEU A 46 20.565 43.604 57.189 1.00 30.58 C +ATOM 230 CD1 LEU A 46 20.824 44.968 57.852 1.00 31.14 C +ATOM 231 CD2 LEU A 46 20.090 42.608 58.243 1.00 34.76 C +ATOM 232 N ALA A 47 17.899 43.009 53.188 1.00 34.42 N +ATOM 233 CA ALA A 47 16.704 43.175 52.386 1.00 35.14 C +ATOM 234 C ALA A 47 15.874 41.922 52.252 1.00 35.20 C +ATOM 235 O ALA A 47 14.643 41.969 52.052 1.00 37.04 O +ATOM 236 CB ALA A 47 17.041 43.761 51.025 1.00 37.55 C +ATOM 237 N HIS A 48 16.474 40.738 52.372 1.00 34.03 N +ATOM 238 CA HIS A 48 15.681 39.504 52.266 1.00 32.74 C +ATOM 239 C HIS A 48 15.187 39.139 53.667 1.00 35.25 C +ATOM 240 O HIS A 48 15.993 39.120 54.602 1.00 32.95 O +ATOM 241 CB HIS A 48 16.565 38.365 51.745 1.00 31.33 C +ATOM 242 CG HIS A 48 15.763 37.175 51.350 1.00 32.45 C +ATOM 243 ND1 HIS A 48 15.156 36.329 52.236 1.00 30.75 N +ATOM 244 CD2 HIS A 48 15.459 36.704 50.104 1.00 35.76 C +ATOM 245 CE1 HIS A 48 14.528 35.361 51.590 1.00 32.63 C +ATOM 246 NE2 HIS A 48 14.714 35.572 50.288 1.00 35.24 N +ATOM 247 N PRO A 49 13.923 38.784 53.797 1.00 35.51 N +ATOM 248 CA PRO A 49 13.320 38.482 55.074 1.00 34.76 C +ATOM 249 C PRO A 49 13.896 37.306 55.799 1.00 34.41 C +ATOM 250 O PRO A 49 13.807 37.260 57.040 1.00 33.71 O +ATOM 251 CB PRO A 49 11.841 38.291 54.780 1.00 37.16 C +ATOM 252 CG PRO A 49 11.730 38.137 53.321 1.00 36.82 C +ATOM 253 CD PRO A 49 12.930 38.765 52.693 1.00 38.02 C +ATOM 254 N ARG A 50 14.509 36.334 55.106 1.00 30.12 N +ATOM 255 CA ARG A 50 15.078 35.209 55.854 1.00 29.25 C +ATOM 256 C ARG A 50 16.384 35.636 56.516 1.00 25.95 C +ATOM 257 O ARG A 50 16.875 34.937 57.395 1.00 26.82 O +ATOM 258 CB ARG A 50 15.334 33.999 54.955 1.00 26.77 C +ATOM 259 CG ARG A 50 14.120 33.206 54.534 1.00 30.75 C +ATOM 260 CD ARG A 50 14.514 32.031 53.621 1.00 27.88 C +ATOM 261 NE ARG A 50 15.343 31.063 54.359 1.00 30.45 N +ATOM 262 CZ ARG A 50 15.978 30.061 53.735 1.00 29.36 C +ATOM 263 NH1 ARG A 50 16.722 29.218 54.449 1.00 26.33 N +ATOM 264 NH2 ARG A 50 15.845 29.883 52.422 1.00 30.86 N +ATOM 265 N VAL A 51 17.025 36.734 56.053 1.00 25.65 N +ATOM 266 CA VAL A 51 18.308 37.060 56.702 1.00 25.37 C +ATOM 267 C VAL A 51 18.054 37.975 57.882 1.00 25.62 C +ATOM 268 O VAL A 51 18.033 39.190 57.821 1.00 26.92 O +ATOM 269 CB VAL A 51 19.478 37.277 55.835 1.00 32.11 C +ATOM 270 CG1 VAL A 51 19.235 37.031 54.355 1.00 25.93 C +ATOM 271 CG2 VAL A 51 20.404 38.408 56.122 1.00 28.20 C +ATOM 272 N LYS A 52 17.900 37.300 59.036 1.00 25.74 N +ATOM 273 CA LYS A 52 17.513 38.027 60.260 1.00 26.48 C +ATOM 274 C LYS A 52 18.639 38.808 60.883 1.00 26.83 C +ATOM 275 O LYS A 52 18.452 39.831 61.571 1.00 26.09 O +ATOM 276 CB LYS A 52 16.968 36.995 61.237 1.00 28.86 C +ATOM 277 CG LYS A 52 15.868 36.106 60.658 1.00 32.00 C +ATOM 278 CD LYS A 52 14.566 36.856 60.488 1.00 38.78 C +ATOM 279 CE LYS A 52 13.435 35.915 60.043 1.00 37.45 C +ATOM 280 NZ LYS A 52 12.848 35.246 61.268 1.00 43.09 N +ATOM 281 N ARG A 53 19.861 38.289 60.715 1.00 25.14 N +ATOM 282 CA ARG A 53 21.010 38.957 61.341 1.00 21.90 C +ATOM 283 C ARG A 53 22.216 38.928 60.401 1.00 23.95 C +ATOM 284 O ARG A 53 22.337 38.016 59.589 1.00 24.11 O +ATOM 285 CB ARG A 53 21.424 38.092 62.573 1.00 22.11 C +ATOM 286 CG ARG A 53 20.332 37.889 63.593 1.00 22.73 C +ATOM 287 CD ARG A 53 20.801 37.000 64.789 1.00 26.41 C +ATOM 288 NE ARG A 53 22.064 37.620 65.314 1.00 24.05 N +ATOM 289 CZ ARG A 53 23.062 36.835 65.697 1.00 20.81 C +ATOM 290 NH1 ARG A 53 24.204 37.354 66.131 1.00 22.43 N +ATOM 291 NH2 ARG A 53 22.881 35.503 65.675 1.00 22.67 N +ATOM 292 N VAL A 54 23.061 39.925 60.593 1.00 22.84 N +ATOM 293 CA VAL A 54 24.317 39.986 59.850 1.00 23.78 C +ATOM 294 C VAL A 54 25.443 40.136 60.901 1.00 23.00 C +ATOM 295 O VAL A 54 25.371 41.027 61.745 1.00 25.61 O +ATOM 296 CB VAL A 54 24.394 41.156 58.880 1.00 25.85 C +ATOM 297 CG1 VAL A 54 25.804 41.197 58.265 1.00 24.88 C +ATOM 298 CG2 VAL A 54 23.370 41.040 57.759 1.00 25.49 C +ATOM 299 N VAL A 55 26.355 39.192 60.898 1.00 22.02 N +ATOM 300 CA VAL A 55 27.527 39.242 61.785 1.00 21.32 C +ATOM 301 C VAL A 55 28.688 39.845 60.980 1.00 25.02 C +ATOM 302 O VAL A 55 28.987 39.294 59.895 1.00 23.43 O +ATOM 303 CB VAL A 55 27.908 37.854 62.262 1.00 22.47 C +ATOM 304 CG1 VAL A 55 29.187 37.883 63.139 1.00 20.74 C +ATOM 305 CG2 VAL A 55 26.788 37.208 63.094 1.00 20.35 C +ATOM 306 N ILE A 56 29.282 40.922 61.422 1.00 22.60 N +ATOM 307 CA ILE A 56 30.400 41.532 60.691 1.00 25.01 C +ATOM 308 C ILE A 56 31.680 41.309 61.477 1.00 24.79 C +ATOM 309 O ILE A 56 31.716 41.560 62.700 1.00 26.00 O +ATOM 310 CB ILE A 56 30.185 43.034 60.454 1.00 22.45 C +ATOM 311 CG1 ILE A 56 28.843 43.255 59.736 1.00 21.25 C +ATOM 312 CG2 ILE A 56 31.328 43.624 59.641 1.00 23.53 C +ATOM 313 CD1 ILE A 56 28.373 44.664 59.600 1.00 25.02 C +ATOM 314 N ALA A 57 32.670 40.691 60.837 1.00 24.87 N +ATOM 315 CA ALA A 57 33.959 40.485 61.579 1.00 27.69 C +ATOM 316 C ALA A 57 34.796 41.734 61.367 1.00 31.23 C +ATOM 317 O ALA A 57 35.038 42.121 60.194 1.00 29.45 O +ATOM 318 CB ALA A 57 34.650 39.244 61.056 1.00 31.60 C +ATOM 319 N ILE A 58 35.214 42.377 62.447 1.00 29.37 N +ATOM 320 CA ILE A 58 35.972 43.630 62.354 1.00 35.32 C +ATOM 321 C ILE A 58 37.282 43.517 63.118 1.00 36.76 C +ATOM 322 O ILE A 58 37.396 42.776 64.098 1.00 36.78 O +ATOM 323 CB ILE A 58 35.112 44.751 62.980 1.00 33.86 C +ATOM 324 CG1 ILE A 58 33.930 45.103 62.062 1.00 32.10 C +ATOM 325 CG2 ILE A 58 35.902 45.983 63.333 1.00 35.74 C +ATOM 326 CD1 ILE A 58 34.309 45.509 60.657 1.00 32.50 C +ATOM 327 N SER A 59 38.328 44.169 62.613 1.00 41.28 N +ATOM 328 CA SER A 59 39.610 44.096 63.359 1.00 45.65 C +ATOM 329 C SER A 59 39.615 45.172 64.454 1.00 46.42 C +ATOM 330 O SER A 59 39.121 46.279 64.177 1.00 46.09 O +ATOM 331 CB SER A 59 40.768 44.293 62.399 1.00 51.23 C +ATOM 332 OG SER A 59 40.355 45.054 61.271 1.00 57.04 O +ATOM 333 N SER A 63 38.449 53.747 65.178 1.00 57.66 N +ATOM 334 CA SER A 63 38.424 52.916 63.976 1.00 56.69 C +ATOM 335 C SER A 63 37.224 53.263 63.094 1.00 55.37 C +ATOM 336 O SER A 63 36.149 53.586 63.601 1.00 55.52 O +ATOM 337 CB SER A 63 38.421 51.435 64.357 1.00 58.45 C +ATOM 338 OG SER A 63 38.770 50.609 63.272 1.00 59.78 O +ATOM 339 N ARG A 64 37.400 53.100 61.792 1.00 53.57 N +ATOM 340 CA ARG A 64 36.420 53.406 60.767 1.00 50.33 C +ATOM 341 C ARG A 64 35.056 52.793 60.999 1.00 48.56 C +ATOM 342 O ARG A 64 34.034 53.509 60.938 1.00 48.61 O +ATOM 343 CB AARG A 64 36.977 52.977 59.398 0.65 51.50 C +ATOM 344 CB BARG A 64 36.985 52.990 59.394 0.35 47.75 C +ATOM 345 CG AARG A 64 36.380 53.705 58.229 0.65 51.33 C +ATOM 346 CG BARG A 64 36.425 53.747 58.211 0.35 46.22 C +ATOM 347 CD AARG A 64 37.120 55.020 57.931 0.65 51.34 C +ATOM 348 CD BARG A 64 37.047 55.108 58.027 0.35 44.91 C +ATOM 349 NE AARG A 64 36.474 55.658 56.764 0.65 49.41 N +ATOM 350 NE BARG A 64 38.028 55.202 56.966 0.35 43.58 N +ATOM 351 CZ AARG A 64 35.223 56.112 56.824 0.65 50.14 C +ATOM 352 CZ BARG A 64 39.320 54.936 57.062 0.35 42.83 C +ATOM 353 NH1AARG A 64 34.658 56.673 55.764 0.65 52.22 N +ATOM 354 NH1BARG A 64 40.118 55.072 56.008 0.35 43.34 N +ATOM 355 NH2AARG A 64 34.523 56.028 57.948 0.65 49.19 N +ATOM 356 NH2BARG A 64 39.837 54.540 58.218 0.35 42.64 N +ATOM 357 N PHE A 65 34.950 51.509 61.327 1.00 48.22 N +ATOM 358 CA PHE A 65 33.670 50.866 61.546 1.00 44.45 C +ATOM 359 C PHE A 65 32.796 51.514 62.601 1.00 45.08 C +ATOM 360 O PHE A 65 31.562 51.600 62.477 1.00 44.20 O +ATOM 361 CB PHE A 65 33.862 49.375 61.924 1.00 42.26 C +ATOM 362 CG PHE A 65 32.506 48.705 62.020 1.00 41.40 C +ATOM 363 CD1 PHE A 65 31.930 48.463 63.257 1.00 40.92 C +ATOM 364 CD2 PHE A 65 31.803 48.370 60.879 1.00 36.95 C +ATOM 365 CE1 PHE A 65 30.679 47.870 63.330 1.00 40.53 C +ATOM 366 CE2 PHE A 65 30.562 47.789 60.943 1.00 37.79 C +ATOM 367 CZ PHE A 65 29.993 47.529 62.189 1.00 41.21 C +ATOM 368 N ALA A 66 33.402 51.917 63.705 1.00 46.43 N +ATOM 369 CA ALA A 66 32.683 52.542 64.798 1.00 46.39 C +ATOM 370 C ALA A 66 31.947 53.806 64.450 1.00 46.07 C +ATOM 371 O ALA A 66 30.883 54.070 65.044 1.00 47.11 O +ATOM 372 CB ALA A 66 33.625 52.753 65.981 1.00 47.78 C +ATOM 373 N GLN A 67 32.362 54.592 63.457 1.00 45.11 N +ATOM 374 CA GLN A 67 31.661 55.830 63.122 1.00 42.66 C +ATOM 375 C GLN A 67 30.407 55.597 62.313 1.00 41.33 C +ATOM 376 O GLN A 67 29.495 56.425 62.235 1.00 40.86 O +ATOM 377 CB GLN A 67 32.622 56.789 62.415 1.00 49.11 C +ATOM 378 CG GLN A 67 32.612 56.711 60.898 1.00 57.07 C +ATOM 379 CD GLN A 67 31.561 57.578 60.248 1.00 55.36 C +ATOM 380 OE1 GLN A 67 31.281 57.482 59.054 1.00 58.86 O +ATOM 381 NE2 GLN A 67 30.927 58.451 61.032 1.00 59.97 N +ATOM 382 N LEU A 68 30.303 54.418 61.692 1.00 38.03 N +ATOM 383 CA LEU A 68 29.165 54.068 60.866 1.00 34.81 C +ATOM 384 C LEU A 68 27.957 53.716 61.701 1.00 35.44 C +ATOM 385 O LEU A 68 28.119 53.213 62.817 1.00 35.64 O +ATOM 386 CB LEU A 68 29.589 52.763 60.098 1.00 35.45 C +ATOM 387 CG LEU A 68 30.442 52.942 58.863 1.00 39.16 C +ATOM 388 CD1 LEU A 68 31.737 53.678 59.100 1.00 39.58 C +ATOM 389 CD2 LEU A 68 30.738 51.546 58.234 1.00 29.74 C +ATOM 390 N PRO A 69 26.744 53.871 61.175 1.00 36.89 N +ATOM 391 CA PRO A 69 25.556 53.502 61.912 1.00 38.44 C +ATOM 392 C PRO A 69 25.332 51.999 61.991 1.00 39.85 C +ATOM 393 O PRO A 69 24.430 51.547 62.717 1.00 41.77 O +ATOM 394 CB PRO A 69 24.419 54.170 61.179 1.00 38.59 C +ATOM 395 CG PRO A 69 24.938 54.678 59.900 1.00 40.27 C +ATOM 396 CD PRO A 69 26.430 54.533 59.897 1.00 39.15 C +ATOM 397 N LEU A 70 26.123 51.187 61.288 1.00 40.27 N +ATOM 398 CA LEU A 70 25.984 49.738 61.317 1.00 39.77 C +ATOM 399 C LEU A 70 26.169 49.161 62.700 1.00 41.87 C +ATOM 400 O LEU A 70 25.499 48.207 63.112 1.00 41.16 O +ATOM 401 CB LEU A 70 27.029 49.118 60.364 1.00 40.94 C +ATOM 402 CG LEU A 70 26.566 48.593 59.017 1.00 40.79 C +ATOM 403 CD1 LEU A 70 25.239 49.115 58.560 1.00 38.43 C +ATOM 404 CD2 LEU A 70 27.662 48.791 57.974 1.00 41.77 C +ATOM 405 N ALA A 71 27.126 49.686 63.445 1.00 43.85 N +ATOM 406 CA ALA A 71 27.456 49.286 64.782 1.00 46.11 C +ATOM 407 C ALA A 71 26.266 49.216 65.729 1.00 46.25 C +ATOM 408 O ALA A 71 26.140 48.261 66.511 1.00 47.89 O +ATOM 409 CB ALA A 71 28.473 50.315 65.332 1.00 48.60 C +ATOM 410 N ASN A 72 25.347 50.161 65.630 1.00 44.89 N +ATOM 411 CA ASN A 72 24.189 50.199 66.520 1.00 43.59 C +ATOM 412 C ASN A 72 22.927 49.672 65.884 1.00 40.78 C +ATOM 413 O ASN A 72 21.841 49.842 66.450 1.00 42.52 O +ATOM 414 CB ASN A 72 23.990 51.669 66.964 1.00 48.53 C +ATOM 415 CG ASN A 72 23.792 51.817 68.451 1.00 51.18 C +ATOM 416 OD1 ASN A 72 23.366 50.900 69.162 1.00 48.06 O +ATOM 417 ND2 ASN A 72 24.123 53.003 68.980 1.00 54.95 N +ATOM 418 N HIS A 73 23.014 48.958 64.761 1.00 36.78 N +ATOM 419 CA HIS A 73 21.771 48.457 64.113 1.00 32.82 C +ATOM 420 C HIS A 73 21.284 47.263 64.905 1.00 31.94 C +ATOM 421 O HIS A 73 22.098 46.419 65.299 1.00 29.25 O +ATOM 422 CB HIS A 73 22.086 48.146 62.648 1.00 29.36 C +ATOM 423 CG HIS A 73 20.942 47.653 61.823 1.00 26.88 C +ATOM 424 ND1 HIS A 73 20.478 48.296 60.696 1.00 34.67 N +ATOM 425 CD2 HIS A 73 20.135 46.586 61.971 1.00 26.49 C +ATOM 426 CE1 HIS A 73 19.448 47.666 60.189 1.00 30.29 C +ATOM 427 NE2 HIS A 73 19.230 46.577 60.958 1.00 32.45 N +ATOM 428 N PRO A 74 19.983 47.077 65.076 1.00 30.99 N +ATOM 429 CA PRO A 74 19.453 45.970 65.849 1.00 31.29 C +ATOM 430 C PRO A 74 19.694 44.597 65.240 1.00 28.92 C +ATOM 431 O PRO A 74 19.656 43.591 65.952 1.00 26.68 O +ATOM 432 CB PRO A 74 17.966 46.271 65.964 1.00 32.85 C +ATOM 433 CG PRO A 74 17.667 47.256 64.905 1.00 33.77 C +ATOM 434 CD PRO A 74 18.928 48.049 64.685 1.00 33.62 C +ATOM 435 N GLN A 75 20.033 44.541 63.947 1.00 25.56 N +ATOM 436 CA GLN A 75 20.266 43.219 63.329 1.00 27.59 C +ATOM 437 C GLN A 75 21.726 42.933 63.112 1.00 25.36 C +ATOM 438 O GLN A 75 22.088 41.894 62.539 1.00 27.46 O +ATOM 439 CB GLN A 75 19.544 43.198 61.955 1.00 26.43 C +ATOM 440 CG GLN A 75 18.018 43.136 62.135 1.00 26.99 C +ATOM 441 CD GLN A 75 17.290 43.181 60.816 1.00 31.07 C +ATOM 442 OE1 GLN A 75 17.077 44.262 60.261 1.00 32.42 O +ATOM 443 NE2 GLN A 75 16.966 42.009 60.269 1.00 29.18 N +ATOM 444 N ILE A 76 22.594 43.860 63.531 1.00 24.81 N +ATOM 445 CA ILE A 76 24.018 43.662 63.279 1.00 25.04 C +ATOM 446 C ILE A 76 24.835 43.339 64.499 1.00 26.06 C +ATOM 447 O ILE A 76 24.966 44.162 65.420 1.00 26.18 O +ATOM 448 CB ILE A 76 24.582 44.903 62.537 1.00 29.23 C +ATOM 449 CG1 ILE A 76 23.958 44.882 61.114 1.00 33.10 C +ATOM 450 CG2 ILE A 76 26.083 44.880 62.486 1.00 29.01 C +ATOM 451 CD1 ILE A 76 24.283 46.092 60.281 1.00 41.03 C +ATOM 452 N THR A 77 25.551 42.228 64.426 1.00 21.78 N +ATOM 453 CA THR A 77 26.433 41.755 65.464 1.00 21.73 C +ATOM 454 C THR A 77 27.884 41.925 65.008 1.00 25.16 C +ATOM 455 O THR A 77 28.167 41.711 63.808 1.00 23.61 O +ATOM 456 CB THR A 77 26.160 40.260 65.765 1.00 21.67 C +ATOM 457 OG1 THR A 77 24.954 40.100 66.504 1.00 22.50 O +ATOM 458 CG2 THR A 77 27.297 39.604 66.526 1.00 21.10 C +ATOM 459 N VAL A 78 28.761 42.263 65.924 1.00 23.17 N +ATOM 460 CA VAL A 78 30.184 42.383 65.634 1.00 25.78 C +ATOM 461 C VAL A 78 30.966 41.288 66.366 1.00 26.99 C +ATOM 462 O VAL A 78 30.710 40.906 67.525 1.00 26.64 O +ATOM 463 CB VAL A 78 30.729 43.742 66.090 1.00 25.50 C +ATOM 464 CG1 VAL A 78 32.241 43.854 65.820 1.00 31.63 C +ATOM 465 CG2 VAL A 78 29.993 44.878 65.425 1.00 28.75 C +ATOM 466 N VAL A 79 31.952 40.715 65.674 1.00 26.09 N +ATOM 467 CA VAL A 79 32.840 39.726 66.237 1.00 26.49 C +ATOM 468 C VAL A 79 34.267 40.155 65.835 1.00 27.89 C +ATOM 469 O VAL A 79 34.371 41.015 64.970 1.00 25.15 O +ATOM 470 CB VAL A 79 32.625 38.272 65.792 1.00 28.14 C +ATOM 471 CG1 VAL A 79 31.243 37.789 66.197 1.00 24.90 C +ATOM 472 CG2 VAL A 79 32.855 38.157 64.287 1.00 22.79 C +ATOM 473 N ASP A 80 35.279 39.611 66.477 1.00 29.65 N +ATOM 474 CA ASP A 80 36.631 40.067 66.067 1.00 31.97 C +ATOM 475 C ASP A 80 37.047 39.321 64.796 1.00 33.66 C +ATOM 476 O ASP A 80 36.843 38.114 64.732 1.00 32.92 O +ATOM 477 CB ASP A 80 37.632 39.728 67.168 1.00 33.10 C +ATOM 478 CG ASP A 80 37.473 40.566 68.414 1.00 31.43 C +ATOM 479 OD1 ASP A 80 36.713 41.543 68.446 1.00 34.76 O +ATOM 480 OD2 ASP A 80 38.167 40.244 69.406 1.00 32.77 O +ATOM 481 N GLY A 81 37.706 40.020 63.887 1.00 35.85 N +ATOM 482 CA GLY A 81 38.201 39.362 62.663 1.00 39.84 C +ATOM 483 C GLY A 81 39.473 38.599 63.030 1.00 43.62 C +ATOM 484 O GLY A 81 40.054 38.883 64.080 1.00 43.88 O +ATOM 485 N GLY A 82 39.909 37.632 62.217 1.00 44.95 N +ATOM 486 CA GLY A 82 41.131 36.900 62.576 1.00 47.90 C +ATOM 487 C GLY A 82 42.234 37.079 61.534 1.00 49.12 C +ATOM 488 O GLY A 82 42.155 37.902 60.628 1.00 48.21 O +ATOM 489 N ASP A 83 43.282 36.256 61.677 1.00 49.15 N +ATOM 490 CA ASP A 83 44.418 36.309 60.767 1.00 50.02 C +ATOM 491 C ASP A 83 43.985 36.255 59.314 1.00 50.75 C +ATOM 492 O ASP A 83 44.452 37.088 58.522 1.00 51.23 O +ATOM 493 CB ASP A 83 45.438 35.226 61.104 1.00 50.90 C +ATOM 494 N GLU A 84 43.116 35.332 58.908 1.00 48.34 N +ATOM 495 CA GLU A 84 42.714 35.358 57.485 1.00 46.85 C +ATOM 496 C GLU A 84 41.205 35.350 57.358 1.00 45.32 C +ATOM 497 O GLU A 84 40.510 35.231 58.379 1.00 45.31 O +ATOM 498 CB GLU A 84 43.363 34.206 56.747 1.00 52.18 C +ATOM 499 CG GLU A 84 43.023 32.822 57.278 1.00 56.58 C +ATOM 500 CD GLU A 84 43.702 31.724 56.472 1.00 60.94 C +ATOM 501 OE1 GLU A 84 44.823 31.318 56.862 1.00 60.57 O +ATOM 502 OE2 GLU A 84 43.128 31.271 55.454 1.00 61.43 O +ATOM 503 N ARG A 85 40.685 35.486 56.143 1.00 42.50 N +ATOM 504 CA ARG A 85 39.247 35.448 55.913 1.00 39.41 C +ATOM 505 C ARG A 85 38.628 34.254 56.636 1.00 37.36 C +ATOM 506 O ARG A 85 37.637 34.403 57.346 1.00 34.16 O +ATOM 507 CB ARG A 85 38.922 35.366 54.416 1.00 39.80 C +ATOM 508 CG ARG A 85 37.435 35.333 54.109 1.00 40.28 C +ATOM 509 CD ARG A 85 37.087 34.671 52.791 1.00 39.27 C +ATOM 510 NE ARG A 85 35.676 34.781 52.443 1.00 39.66 N +ATOM 511 CZ ARG A 85 35.055 35.856 52.009 1.00 40.73 C +ATOM 512 NH1 ARG A 85 35.720 37.010 51.845 1.00 43.93 N +ATOM 513 NH2 ARG A 85 33.748 35.832 51.738 1.00 42.93 N +ATOM 514 N ALA A 86 39.190 33.054 56.467 1.00 35.82 N +ATOM 515 CA ALA A 86 38.667 31.863 57.099 1.00 36.89 C +ATOM 516 C ALA A 86 38.487 31.994 58.598 1.00 35.67 C +ATOM 517 O ALA A 86 37.436 31.612 59.130 1.00 34.53 O +ATOM 518 CB ALA A 86 39.529 30.632 56.796 1.00 40.12 C +ATOM 519 N ASP A 87 39.495 32.522 59.299 1.00 35.57 N +ATOM 520 CA ASP A 87 39.383 32.674 60.746 1.00 34.30 C +ATOM 521 C ASP A 87 38.214 33.594 61.086 1.00 31.58 C +ATOM 522 O ASP A 87 37.482 33.321 62.035 1.00 31.09 O +ATOM 523 CB ASP A 87 40.653 33.243 61.378 1.00 42.89 C +ATOM 524 CG ASP A 87 41.826 32.295 61.264 1.00 45.22 C +ATOM 525 OD1 ASP A 87 41.849 31.313 62.037 1.00 48.24 O +ATOM 526 OD2 ASP A 87 42.689 32.518 60.395 1.00 49.52 O +ATOM 527 N SER A 88 38.067 34.666 60.305 1.00 30.35 N +ATOM 528 CA SER A 88 36.990 35.614 60.518 1.00 28.06 C +ATOM 529 C SER A 88 35.624 34.953 60.375 1.00 26.84 C +ATOM 530 O SER A 88 34.664 35.251 61.105 1.00 22.79 O +ATOM 531 CB SER A 88 37.069 36.753 59.460 1.00 33.20 C +ATOM 532 OG SER A 88 38.046 37.684 59.840 1.00 39.02 O +ATOM 533 N VAL A 89 35.487 34.137 59.323 1.00 23.93 N +ATOM 534 CA VAL A 89 34.206 33.444 59.120 1.00 23.79 C +ATOM 535 C VAL A 89 33.882 32.542 60.278 1.00 23.63 C +ATOM 536 O VAL A 89 32.746 32.449 60.778 1.00 23.03 O +ATOM 537 CB VAL A 89 34.240 32.676 57.778 1.00 25.54 C +ATOM 538 CG1 VAL A 89 32.901 31.967 57.581 1.00 23.82 C +ATOM 539 CG2 VAL A 89 34.468 33.648 56.628 1.00 26.79 C +ATOM 540 N LEU A 90 34.857 31.768 60.779 1.00 23.72 N +ATOM 541 CA LEU A 90 34.573 30.896 61.936 1.00 24.56 C +ATOM 542 C LEU A 90 34.129 31.718 63.139 1.00 25.47 C +ATOM 543 O LEU A 90 33.290 31.267 63.927 1.00 25.04 O +ATOM 544 CB LEU A 90 35.834 30.094 62.279 1.00 28.73 C +ATOM 545 CG LEU A 90 36.150 28.932 61.354 1.00 30.96 C +ATOM 546 CD1 LEU A 90 37.494 28.315 61.696 1.00 28.66 C +ATOM 547 CD2 LEU A 90 35.044 27.878 61.448 1.00 28.16 C +ATOM 548 N ALA A 91 34.731 32.913 63.299 1.00 23.87 N +ATOM 549 CA ALA A 91 34.301 33.762 64.444 1.00 24.82 C +ATOM 550 C ALA A 91 32.870 34.192 64.254 1.00 22.37 C +ATOM 551 O ALA A 91 32.046 34.186 65.186 1.00 24.97 O +ATOM 552 CB ALA A 91 35.276 34.936 64.565 1.00 26.75 C +ATOM 553 N GLY A 92 32.482 34.481 63.015 1.00 22.60 N +ATOM 554 CA GLY A 92 31.111 34.837 62.660 1.00 23.98 C +ATOM 555 C GLY A 92 30.192 33.652 62.921 1.00 23.90 C +ATOM 556 O GLY A 92 29.063 33.820 63.405 1.00 23.49 O +ATOM 557 N LEU A 93 30.661 32.414 62.644 1.00 23.81 N +ATOM 558 CA LEU A 93 29.816 31.243 62.928 1.00 22.25 C +ATOM 559 C LEU A 93 29.573 31.082 64.428 1.00 23.12 C +ATOM 560 O LEU A 93 28.499 30.668 64.856 1.00 24.82 O +ATOM 561 CB LEU A 93 30.518 29.967 62.433 1.00 24.64 C +ATOM 562 CG LEU A 93 30.694 29.884 60.919 1.00 22.19 C +ATOM 563 CD1 LEU A 93 31.191 28.462 60.549 1.00 26.97 C +ATOM 564 CD2 LEU A 93 29.419 30.195 60.174 1.00 26.64 C +ATOM 565 N LYS A 94 30.531 31.466 65.243 1.00 21.18 N +ATOM 566 CA LYS A 94 30.365 31.371 66.696 1.00 21.64 C +ATOM 567 C LYS A 94 29.261 32.330 67.147 1.00 23.52 C +ATOM 568 O LYS A 94 28.738 32.162 68.269 1.00 24.26 O +ATOM 569 CB LYS A 94 31.645 31.712 67.440 1.00 27.21 C +ATOM 570 CG LYS A 94 32.624 30.541 67.495 1.00 32.58 C +ATOM 571 CD LYS A 94 33.947 30.998 68.098 1.00 36.17 C +ATOM 572 CE LYS A 94 34.871 29.791 68.290 1.00 42.38 C +ATOM 573 NZ LYS A 94 36.116 30.202 69.009 1.00 40.37 N +ATOM 574 N ALA A 95 28.942 33.329 66.349 1.00 21.86 N +ATOM 575 CA ALA A 95 27.910 34.284 66.694 1.00 23.27 C +ATOM 576 C ALA A 95 26.602 34.006 65.975 1.00 25.03 C +ATOM 577 O ALA A 95 25.644 34.770 66.172 1.00 24.90 O +ATOM 578 CB ALA A 95 28.340 35.712 66.311 1.00 22.29 C +ATOM 579 N ALA A 96 26.520 32.895 65.219 1.00 23.15 N +ATOM 580 CA ALA A 96 25.331 32.627 64.462 1.00 22.47 C +ATOM 581 C ALA A 96 24.134 32.094 65.178 1.00 24.55 C +ATOM 582 O ALA A 96 23.091 31.800 64.538 1.00 24.74 O +ATOM 583 CB ALA A 96 25.647 31.806 63.210 1.00 22.32 C +ATOM 584 N GLY A 97 24.174 31.887 66.498 1.00 24.38 N +ATOM 585 CA GLY A 97 22.944 31.415 67.152 1.00 26.16 C +ATOM 586 C GLY A 97 22.517 30.036 66.684 1.00 25.27 C +ATOM 587 O GLY A 97 23.339 29.142 66.447 1.00 26.01 O +ATOM 588 N ASP A 98 21.212 29.874 66.476 1.00 25.62 N +ATOM 589 CA ASP A 98 20.679 28.569 66.076 1.00 26.75 C +ATOM 590 C ASP A 98 20.509 28.462 64.564 1.00 28.19 C +ATOM 591 O ASP A 98 19.972 27.457 64.102 1.00 27.97 O +ATOM 592 CB AASP A 98 19.355 28.290 66.782 0.65 32.50 C +ATOM 593 CB BASP A 98 19.343 28.286 66.761 0.35 27.94 C +ATOM 594 CG AASP A 98 18.382 29.448 66.723 0.65 37.09 C +ATOM 595 CG BASP A 98 19.467 27.991 68.236 0.35 27.94 C +ATOM 596 OD1AASP A 98 18.528 30.353 65.867 0.65 42.60 O +ATOM 597 OD1BASP A 98 19.090 28.855 69.058 0.35 32.46 O +ATOM 598 OD2AASP A 98 17.440 29.473 67.548 0.65 41.23 O +ATOM 599 OD2BASP A 98 19.965 26.911 68.593 0.35 31.30 O +ATOM 600 N ALA A 99 21.034 29.464 63.842 1.00 24.61 N +ATOM 601 CA ALA A 99 20.951 29.441 62.396 1.00 26.67 C +ATOM 602 C ALA A 99 21.398 28.098 61.829 1.00 25.11 C +ATOM 603 O ALA A 99 22.565 27.712 61.922 1.00 26.53 O +ATOM 604 CB ALA A 99 21.818 30.552 61.792 1.00 26.58 C +ATOM 605 N GLN A 100 20.533 27.514 60.998 1.00 23.03 N +ATOM 606 CA GLN A 100 20.900 26.235 60.389 1.00 22.02 C +ATOM 607 C GLN A 100 21.682 26.435 59.087 1.00 22.91 C +ATOM 608 O GLN A 100 22.358 25.502 58.651 1.00 24.72 O +ATOM 609 CB GLN A 100 19.663 25.384 60.124 1.00 30.15 C +ATOM 610 CG GLN A 100 18.945 25.030 61.444 1.00 36.65 C +ATOM 611 CD GLN A 100 18.636 23.529 61.386 1.00 45.83 C +ATOM 612 OE1 GLN A 100 17.719 23.162 60.668 1.00 48.20 O +ATOM 613 NE2 GLN A 100 19.468 22.750 62.055 1.00 51.03 N +ATOM 614 N TRP A 101 21.489 27.581 58.460 1.00 21.97 N +ATOM 615 CA TRP A 101 22.175 27.897 57.187 1.00 23.51 C +ATOM 616 C TRP A 101 22.838 29.252 57.369 1.00 24.18 C +ATOM 617 O TRP A 101 22.304 30.129 58.073 1.00 23.01 O +ATOM 618 CB TRP A 101 21.158 27.947 56.040 1.00 20.73 C +ATOM 619 CG TRP A 101 20.854 26.583 55.491 1.00 22.81 C +ATOM 620 CD1 TRP A 101 20.007 25.655 56.036 1.00 28.93 C +ATOM 621 CD2 TRP A 101 21.342 26.022 54.276 1.00 23.23 C +ATOM 622 NE1 TRP A 101 19.985 24.518 55.254 1.00 26.48 N +ATOM 623 CE2 TRP A 101 20.790 24.728 54.156 1.00 29.75 C +ATOM 624 CE3 TRP A 101 22.211 26.468 53.274 1.00 25.68 C +ATOM 625 CZ2 TRP A 101 21.072 23.887 53.095 1.00 30.65 C +ATOM 626 CZ3 TRP A 101 22.516 25.609 52.229 1.00 27.13 C +ATOM 627 CH2 TRP A 101 21.928 24.344 52.123 1.00 26.54 C +ATOM 628 N VAL A 102 24.024 29.441 56.774 1.00 20.53 N +ATOM 629 CA VAL A 102 24.729 30.694 56.870 1.00 20.32 C +ATOM 630 C VAL A 102 25.075 31.249 55.471 1.00 21.61 C +ATOM 631 O VAL A 102 25.533 30.474 54.635 1.00 20.93 O +ATOM 632 CB VAL A 102 26.047 30.543 57.647 1.00 20.62 C +ATOM 633 CG1 VAL A 102 26.791 31.878 57.689 1.00 25.61 C +ATOM 634 CG2 VAL A 102 25.697 30.152 59.118 1.00 26.36 C +ATOM 635 N LEU A 103 24.928 32.531 55.328 1.00 21.39 N +ATOM 636 CA LEU A 103 25.267 33.260 54.093 1.00 24.76 C +ATOM 637 C LEU A 103 26.588 34.008 54.296 1.00 23.90 C +ATOM 638 O LEU A 103 26.556 34.991 55.060 1.00 28.06 O +ATOM 639 CB LEU A 103 24.183 34.307 53.877 1.00 26.90 C +ATOM 640 CG LEU A 103 23.128 34.380 52.864 1.00 34.74 C +ATOM 641 CD1 LEU A 103 22.588 35.827 52.721 1.00 29.16 C +ATOM 642 CD2 LEU A 103 23.472 33.849 51.476 1.00 24.33 C +ATOM 643 N VAL A 104 27.646 33.744 53.554 1.00 21.69 N +ATOM 644 CA VAL A 104 28.910 34.533 53.732 1.00 17.53 C +ATOM 645 C VAL A 104 29.063 35.451 52.530 1.00 19.38 C +ATOM 646 O VAL A 104 28.903 34.976 51.363 1.00 20.16 O +ATOM 647 CB VAL A 104 30.101 33.584 53.829 1.00 19.57 C +ATOM 648 CG1 VAL A 104 31.363 34.369 54.192 1.00 22.84 C +ATOM 649 CG2 VAL A 104 29.830 32.484 54.861 1.00 22.39 C +ATOM 650 N HIS A 105 29.254 36.743 52.758 1.00 20.50 N +ATOM 651 CA HIS A 105 29.300 37.697 51.627 1.00 20.91 C +ATOM 652 C HIS A 105 30.391 38.722 51.823 1.00 24.63 C +ATOM 653 O HIS A 105 30.677 39.200 52.918 1.00 24.22 O +ATOM 654 CB HIS A 105 27.902 38.374 51.545 1.00 21.40 C +ATOM 655 CG HIS A 105 27.780 39.398 50.469 1.00 23.75 C +ATOM 656 ND1 HIS A 105 27.881 39.063 49.123 1.00 20.51 N +ATOM 657 CD2 HIS A 105 27.592 40.740 50.520 1.00 21.81 C +ATOM 658 CE1 HIS A 105 27.758 40.150 48.392 1.00 26.10 C +ATOM 659 NE2 HIS A 105 27.559 41.175 49.198 1.00 24.91 N +ATOM 660 N ASP A 106 31.021 39.108 50.707 1.00 21.56 N +ATOM 661 CA ASP A 106 32.082 40.079 50.693 1.00 25.75 C +ATOM 662 C ASP A 106 31.574 41.474 51.123 1.00 23.88 C +ATOM 663 O ASP A 106 30.577 41.975 50.609 1.00 25.66 O +ATOM 664 CB ASP A 106 32.628 40.229 49.249 1.00 27.93 C +ATOM 665 CG ASP A 106 33.420 39.012 48.833 1.00 32.78 C +ATOM 666 OD1 ASP A 106 33.675 38.850 47.611 1.00 33.44 O +ATOM 667 OD2 ASP A 106 33.790 38.210 49.726 1.00 31.10 O +ATOM 668 N ALA A 107 32.397 42.112 51.928 1.00 26.43 N +ATOM 669 CA ALA A 107 32.075 43.469 52.402 1.00 28.12 C +ATOM 670 C ALA A 107 32.184 44.456 51.229 1.00 29.29 C +ATOM 671 O ALA A 107 31.581 45.517 51.281 1.00 26.71 O +ATOM 672 CB ALA A 107 33.088 43.885 53.454 1.00 27.91 C +ATOM 673 N ALA A 108 32.934 44.075 50.192 1.00 27.93 N +ATOM 674 CA ALA A 108 33.150 44.957 49.061 1.00 28.77 C +ATOM 675 C ALA A 108 32.347 44.624 47.833 1.00 29.53 C +ATOM 676 O ALA A 108 32.639 45.063 46.710 1.00 29.43 O +ATOM 677 CB ALA A 108 34.668 45.047 48.790 1.00 30.74 C +ATOM 678 N ARG A 109 31.174 43.999 48.039 1.00 26.43 N +ATOM 679 CA ARG A 109 30.267 43.699 46.910 1.00 24.83 C +ATOM 680 C ARG A 109 28.950 44.405 47.244 1.00 26.57 C +ATOM 681 O ARG A 109 28.085 43.790 47.840 1.00 28.75 O +ATOM 682 CB ARG A 109 30.035 42.201 46.779 1.00 24.52 C +ATOM 683 CG ARG A 109 31.190 41.436 46.104 1.00 27.71 C +ATOM 684 CD ARG A 109 30.771 39.949 45.866 1.00 29.48 C +ATOM 685 NE ARG A 109 31.982 39.269 45.309 1.00 28.24 N +ATOM 686 CZ ARG A 109 32.279 39.227 44.025 1.00 29.66 C +ATOM 687 NH1 ARG A 109 31.508 39.766 43.102 1.00 30.23 N +ATOM 688 NH2 ARG A 109 33.408 38.661 43.606 1.00 25.61 N +ATOM 689 N PRO A 110 28.793 45.660 46.816 1.00 25.98 N +ATOM 690 CA PRO A 110 27.603 46.433 47.085 1.00 27.72 C +ATOM 691 C PRO A 110 26.413 46.209 46.246 1.00 28.45 C +ATOM 692 O PRO A 110 25.293 46.665 46.552 1.00 29.75 O +ATOM 693 CB PRO A 110 28.138 47.899 46.870 1.00 26.65 C +ATOM 694 CG PRO A 110 29.068 47.705 45.689 1.00 26.24 C +ATOM 695 CD PRO A 110 29.799 46.392 46.015 1.00 25.99 C +ATOM 696 N CYS A 111 26.572 45.527 45.091 1.00 27.82 N +ATOM 697 CA CYS A 111 25.533 45.324 44.148 1.00 27.58 C +ATOM 698 C CYS A 111 25.051 43.874 44.139 1.00 31.74 C +ATOM 699 O CYS A 111 25.737 42.984 43.573 1.00 34.08 O +ATOM 700 CB CYS A 111 25.997 45.662 42.694 1.00 29.83 C +ATOM 701 SG ACYS A 111 26.887 47.227 42.551 0.65 32.01 S +ATOM 702 SG BCYS A 111 24.573 45.688 41.579 0.35 23.10 S +ATOM 703 N LEU A 112 23.994 43.614 44.835 1.00 30.59 N +ATOM 704 CA LEU A 112 23.414 42.264 44.909 1.00 29.51 C +ATOM 705 C LEU A 112 21.924 42.467 44.619 1.00 31.97 C +ATOM 706 O LEU A 112 21.368 43.364 45.302 1.00 33.47 O +ATOM 707 CB LEU A 112 23.602 41.731 46.336 1.00 26.53 C +ATOM 708 CG LEU A 112 23.314 40.298 46.652 1.00 31.65 C +ATOM 709 CD1 LEU A 112 23.534 39.968 48.137 1.00 23.57 C +ATOM 710 CD2 LEU A 112 21.923 39.852 46.250 1.00 38.95 C +ATOM 711 N HIS A 113 21.338 41.729 43.720 1.00 30.78 N +ATOM 712 CA HIS A 113 19.895 41.867 43.453 1.00 33.82 C +ATOM 713 C HIS A 113 19.109 40.861 44.291 1.00 33.33 C +ATOM 714 O HIS A 113 19.556 39.727 44.492 1.00 31.84 O +ATOM 715 CB HIS A 113 19.596 41.609 41.994 1.00 35.99 C +ATOM 716 CG HIS A 113 20.083 42.615 41.014 1.00 40.10 C +ATOM 717 ND1 HIS A 113 19.233 43.120 40.030 1.00 43.33 N +ATOM 718 CD2 HIS A 113 21.283 43.181 40.806 1.00 41.86 C +ATOM 719 CE1 HIS A 113 19.915 43.953 39.267 1.00 44.18 C +ATOM 720 NE2 HIS A 113 21.152 44.026 39.722 1.00 44.23 N +ATOM 721 N GLN A 114 17.894 41.231 44.716 1.00 30.19 N +ATOM 722 CA GLN A 114 17.112 40.324 45.529 1.00 32.53 C +ATOM 723 C GLN A 114 16.710 39.060 44.837 1.00 29.96 C +ATOM 724 O GLN A 114 16.685 38.006 45.470 1.00 31.61 O +ATOM 725 CB GLN A 114 15.879 41.041 46.134 1.00 33.68 C +ATOM 726 CG GLN A 114 16.293 42.162 47.078 1.00 38.68 C +ATOM 727 CD GLN A 114 17.195 41.647 48.195 1.00 35.56 C +ATOM 728 OE1 GLN A 114 16.765 40.769 48.941 1.00 39.49 O +ATOM 729 NE2 GLN A 114 18.398 42.208 48.300 1.00 31.94 N +ATOM 730 N ASP A 115 16.413 39.086 43.530 1.00 30.78 N +ATOM 731 CA ASP A 115 16.042 37.867 42.852 1.00 29.91 C +ATOM 732 C ASP A 115 17.220 36.869 42.842 1.00 27.64 C +ATOM 733 O ASP A 115 16.958 35.693 43.047 1.00 28.56 O +ATOM 734 CB ASP A 115 15.473 38.070 41.470 1.00 33.76 C +ATOM 735 CG ASP A 115 16.394 38.817 40.536 1.00 38.18 C +ATOM 736 OD1 ASP A 115 17.495 39.240 40.963 1.00 35.10 O +ATOM 737 OD2 ASP A 115 15.989 38.996 39.358 1.00 43.48 O +ATOM 738 N ASP A 116 18.441 37.341 42.656 1.00 28.88 N +ATOM 739 CA ASP A 116 19.588 36.406 42.689 1.00 30.41 C +ATOM 740 C ASP A 116 19.772 35.919 44.126 1.00 30.06 C +ATOM 741 O ASP A 116 19.991 34.733 44.382 1.00 29.87 O +ATOM 742 CB ASP A 116 20.849 37.074 42.180 1.00 28.03 C +ATOM 743 CG ASP A 116 20.815 37.378 40.683 1.00 29.03 C +ATOM 744 OD1 ASP A 116 20.128 36.674 39.943 1.00 30.96 O +ATOM 745 OD2 ASP A 116 21.502 38.329 40.274 1.00 33.03 O +ATOM 746 N LEU A 117 19.665 36.834 45.106 1.00 28.54 N +ATOM 747 CA LEU A 117 19.789 36.339 46.503 1.00 29.01 C +ATOM 748 C LEU A 117 18.721 35.301 46.799 1.00 29.27 C +ATOM 749 O LEU A 117 18.994 34.238 47.375 1.00 28.99 O +ATOM 750 CB LEU A 117 19.717 37.532 47.472 1.00 28.95 C +ATOM 751 CG LEU A 117 19.721 37.218 48.954 1.00 28.48 C +ATOM 752 CD1 LEU A 117 20.977 36.382 49.328 1.00 29.57 C +ATOM 753 CD2 LEU A 117 19.749 38.500 49.803 1.00 26.56 C +ATOM 754 N ALA A 118 17.452 35.533 46.390 1.00 29.10 N +ATOM 755 CA ALA A 118 16.377 34.602 46.650 1.00 29.20 C +ATOM 756 C ALA A 118 16.654 33.233 46.030 1.00 30.33 C +ATOM 757 O ALA A 118 16.377 32.197 46.649 1.00 28.31 O +ATOM 758 CB ALA A 118 15.028 35.121 46.138 1.00 31.74 C +ATOM 759 N ARG A 119 17.181 33.243 44.801 1.00 28.44 N +ATOM 760 CA ARG A 119 17.499 31.995 44.130 1.00 27.14 C +ATOM 761 C ARG A 119 18.578 31.209 44.856 1.00 26.66 C +ATOM 762 O ARG A 119 18.496 29.989 44.956 1.00 25.38 O +ATOM 763 CB ARG A 119 17.839 32.244 42.645 1.00 28.29 C +ATOM 764 CG ARG A 119 16.634 31.877 41.797 1.00 37.93 C +ATOM 765 CD ARG A 119 16.467 32.597 40.497 1.00 42.52 C +ATOM 766 NE ARG A 119 17.513 33.495 40.130 1.00 40.25 N +ATOM 767 CZ ARG A 119 18.727 33.288 39.704 1.00 39.82 C +ATOM 768 NH1 ARG A 119 19.523 34.338 39.462 1.00 34.87 N +ATOM 769 NH2 ARG A 119 19.170 32.049 39.505 1.00 44.87 N +ATOM 770 N LEU A 120 19.565 31.875 45.408 1.00 24.78 N +ATOM 771 CA LEU A 120 20.610 31.195 46.188 1.00 23.39 C +ATOM 772 C LEU A 120 20.024 30.615 47.458 1.00 24.51 C +ATOM 773 O LEU A 120 20.234 29.443 47.820 1.00 21.71 O +ATOM 774 CB LEU A 120 21.718 32.192 46.504 1.00 23.34 C +ATOM 775 CG LEU A 120 22.864 31.627 47.389 1.00 22.41 C +ATOM 776 CD1 LEU A 120 23.628 30.572 46.581 1.00 24.74 C +ATOM 777 CD2 LEU A 120 23.785 32.726 47.841 1.00 23.09 C +ATOM 778 N LEU A 121 19.198 31.430 48.149 1.00 23.28 N +ATOM 779 CA LEU A 121 18.603 30.977 49.399 1.00 24.52 C +ATOM 780 C LEU A 121 17.707 29.767 49.226 1.00 26.29 C +ATOM 781 O LEU A 121 17.547 28.938 50.132 1.00 24.53 O +ATOM 782 CB LEU A 121 17.846 32.131 50.054 1.00 24.56 C +ATOM 783 CG LEU A 121 18.695 33.277 50.598 1.00 26.78 C +ATOM 784 CD1 LEU A 121 17.762 34.357 51.167 1.00 26.72 C +ATOM 785 CD2 LEU A 121 19.651 32.813 51.685 1.00 28.52 C +ATOM 786 N ALA A 122 17.128 29.608 48.044 1.00 25.12 N +ATOM 787 CA ALA A 122 16.278 28.469 47.727 1.00 27.69 C +ATOM 788 C ALA A 122 17.000 27.138 47.831 1.00 27.63 C +ATOM 789 O ALA A 122 16.393 26.094 48.097 1.00 29.99 O +ATOM 790 CB ALA A 122 15.701 28.651 46.317 1.00 25.47 C +ATOM 791 N LEU A 123 18.352 27.137 47.808 1.00 26.83 N +ATOM 792 CA LEU A 123 19.105 25.921 47.938 1.00 24.45 C +ATOM 793 C LEU A 123 18.837 25.155 49.219 1.00 25.50 C +ATOM 794 O LEU A 123 19.110 23.957 49.249 1.00 23.84 O +ATOM 795 CB LEU A 123 20.632 26.139 47.842 1.00 25.42 C +ATOM 796 CG LEU A 123 21.117 26.554 46.438 1.00 26.30 C +ATOM 797 CD1 LEU A 123 22.646 26.697 46.433 1.00 25.65 C +ATOM 798 CD2 LEU A 123 20.676 25.533 45.397 1.00 33.97 C +ATOM 799 N SER A 124 18.421 25.820 50.294 1.00 25.92 N +ATOM 800 CA SER A 124 18.215 25.160 51.559 1.00 28.40 C +ATOM 801 C SER A 124 17.098 24.132 51.511 1.00 30.18 C +ATOM 802 O SER A 124 17.097 23.202 52.326 1.00 29.68 O +ATOM 803 CB SER A 124 18.054 26.111 52.735 1.00 30.67 C +ATOM 804 OG SER A 124 16.939 26.950 52.644 1.00 31.44 O +ATOM 805 N GLU A 125 16.222 24.274 50.537 1.00 30.94 N +ATOM 806 CA GLU A 125 15.099 23.417 50.295 1.00 33.92 C +ATOM 807 C GLU A 125 15.477 22.147 49.561 1.00 34.04 C +ATOM 808 O GLU A 125 14.806 21.129 49.730 1.00 31.39 O +ATOM 809 CB GLU A 125 14.025 24.138 49.435 1.00 36.96 C +ATOM 810 CG GLU A 125 13.503 25.428 50.045 1.00 45.60 C +ATOM 811 CD GLU A 125 13.258 25.339 51.536 1.00 51.79 C +ATOM 812 OE1 GLU A 125 12.361 24.569 51.946 1.00 56.78 O +ATOM 813 OE2 GLU A 125 13.979 26.005 52.315 1.00 54.15 O +ATOM 814 N THR A 126 16.586 22.174 48.810 1.00 32.50 N +ATOM 815 CA THR A 126 16.970 21.025 48.023 1.00 32.59 C +ATOM 816 C THR A 126 18.394 20.537 48.191 1.00 32.30 C +ATOM 817 O THR A 126 18.711 19.493 47.580 1.00 33.17 O +ATOM 818 CB THR A 126 16.896 21.424 46.492 1.00 35.78 C +ATOM 819 OG1 THR A 126 17.738 22.585 46.329 1.00 35.64 O +ATOM 820 CG2 THR A 126 15.487 21.762 46.073 1.00 39.86 C +ATOM 821 N SER A 127 19.285 21.267 48.827 1.00 29.05 N +ATOM 822 CA SER A 127 20.687 20.844 48.872 1.00 27.94 C +ATOM 823 C SER A 127 21.194 20.480 50.234 1.00 28.29 C +ATOM 824 O SER A 127 20.795 21.057 51.264 1.00 27.46 O +ATOM 825 CB SER A 127 21.549 22.066 48.386 1.00 27.13 C +ATOM 826 OG SER A 127 22.921 21.709 48.398 1.00 28.15 O +ATOM 827 N ARG A 128 22.171 19.556 50.260 1.00 26.49 N +ATOM 828 CA ARG A 128 22.796 19.241 51.545 1.00 28.37 C +ATOM 829 C ARG A 128 24.167 19.930 51.621 1.00 27.58 C +ATOM 830 O ARG A 128 24.846 19.771 52.619 1.00 27.35 O +ATOM 831 CB ARG A 128 23.035 17.746 51.721 1.00 30.68 C +ATOM 832 CG ARG A 128 21.817 16.921 52.048 1.00 33.73 C +ATOM 833 CD ARG A 128 22.299 15.524 52.520 1.00 39.64 C +ATOM 834 NE ARG A 128 21.171 14.689 52.911 1.00 44.15 N +ATOM 835 CZ ARG A 128 20.438 14.841 54.005 1.00 41.01 C +ATOM 836 NH1 ARG A 128 19.434 13.994 54.237 1.00 38.78 N +ATOM 837 NH2 ARG A 128 20.707 15.798 54.875 1.00 41.14 N +ATOM 838 N THR A 129 24.602 20.507 50.482 1.00 25.41 N +ATOM 839 CA THR A 129 25.939 21.117 50.466 1.00 23.74 C +ATOM 840 C THR A 129 25.905 22.626 50.396 1.00 23.59 C +ATOM 841 O THR A 129 26.863 23.282 50.867 1.00 25.67 O +ATOM 842 CB THR A 129 26.692 20.559 49.207 1.00 28.80 C +ATOM 843 OG1 THR A 129 26.695 19.124 49.306 1.00 31.86 O +ATOM 844 CG2 THR A 129 28.142 21.004 49.176 1.00 29.22 C +ATOM 845 N GLY A 130 24.916 23.230 49.785 1.00 21.39 N +ATOM 846 CA GLY A 130 24.887 24.689 49.646 1.00 18.52 C +ATOM 847 C GLY A 130 25.428 25.013 48.228 1.00 21.30 C +ATOM 848 O GLY A 130 25.461 24.148 47.357 1.00 19.71 O +ATOM 849 N GLY A 131 25.791 26.281 48.054 1.00 19.37 N +ATOM 850 CA GLY A 131 26.232 26.748 46.744 1.00 20.41 C +ATOM 851 C GLY A 131 26.584 28.240 46.792 1.00 20.20 C +ATOM 852 O GLY A 131 26.577 28.889 47.847 1.00 19.39 O +ATOM 853 N ILE A 132 27.003 28.742 45.628 1.00 18.89 N +ATOM 854 CA ILE A 132 27.427 30.114 45.465 1.00 18.62 C +ATOM 855 C ILE A 132 26.801 30.764 44.222 1.00 19.94 C +ATOM 856 O ILE A 132 26.436 30.058 43.288 1.00 19.68 O +ATOM 857 CB ILE A 132 28.976 30.207 45.297 1.00 21.01 C +ATOM 858 CG1 ILE A 132 29.414 29.684 43.912 1.00 19.81 C +ATOM 859 CG2 ILE A 132 29.686 29.419 46.404 1.00 19.03 C +ATOM 860 CD1 ILE A 132 30.891 30.049 43.642 1.00 18.82 C +ATOM 861 N LEU A 133 26.666 32.091 44.298 1.00 19.39 N +ATOM 862 CA LEU A 133 26.281 32.855 43.085 1.00 18.50 C +ATOM 863 C LEU A 133 27.534 32.839 42.166 1.00 20.36 C +ATOM 864 O LEU A 133 28.657 32.811 42.634 1.00 18.49 O +ATOM 865 CB LEU A 133 25.941 34.276 43.491 1.00 21.81 C +ATOM 866 CG LEU A 133 24.546 34.795 43.456 1.00 26.85 C +ATOM 867 CD1 LEU A 133 23.428 33.793 43.307 1.00 24.94 C +ATOM 868 CD2 LEU A 133 24.240 35.919 44.398 1.00 25.95 C +ATOM 869 N ALA A 134 27.308 32.722 40.870 1.00 20.33 N +ATOM 870 CA ALA A 134 28.437 32.674 39.913 1.00 21.69 C +ATOM 871 C ALA A 134 27.956 33.180 38.547 1.00 21.97 C +ATOM 872 O ALA A 134 26.761 33.171 38.289 1.00 20.99 O +ATOM 873 CB ALA A 134 28.867 31.212 39.756 1.00 22.49 C +ATOM 874 N ALA A 135 28.916 33.562 37.692 1.00 21.15 N +ATOM 875 CA ALA A 135 28.490 34.026 36.341 1.00 20.64 C +ATOM 876 C ALA A 135 29.364 33.271 35.345 1.00 24.90 C +ATOM 877 O ALA A 135 30.570 33.107 35.550 1.00 22.53 O +ATOM 878 CB ALA A 135 28.760 35.534 36.247 1.00 20.62 C +ATOM 879 N PRO A 136 28.778 32.733 34.297 1.00 27.06 N +ATOM 880 CA PRO A 136 29.539 31.970 33.315 1.00 27.60 C +ATOM 881 C PRO A 136 30.588 32.797 32.600 1.00 26.27 C +ATOM 882 O PRO A 136 30.468 33.986 32.381 1.00 25.21 O +ATOM 883 CB PRO A 136 28.488 31.481 32.309 1.00 30.30 C +ATOM 884 CG PRO A 136 27.184 31.614 33.034 1.00 32.33 C +ATOM 885 CD PRO A 136 27.345 32.863 33.920 1.00 29.88 C +ATOM 886 N VAL A 137 31.683 32.109 32.209 1.00 24.53 N +ATOM 887 CA VAL A 137 32.768 32.720 31.487 1.00 25.24 C +ATOM 888 C VAL A 137 32.412 32.631 29.981 1.00 27.88 C +ATOM 889 O VAL A 137 32.103 31.531 29.528 1.00 27.57 O +ATOM 890 CB VAL A 137 34.125 32.039 31.680 1.00 26.43 C +ATOM 891 CG1 VAL A 137 35.168 32.602 30.705 1.00 22.95 C +ATOM 892 CG2 VAL A 137 34.632 32.258 33.118 1.00 22.49 C +ATOM 893 N ARG A 138 32.425 33.785 29.345 1.00 27.88 N +ATOM 894 CA ARG A 138 32.051 33.797 27.914 1.00 28.77 C +ATOM 895 C ARG A 138 33.188 34.018 26.978 1.00 27.78 C +ATOM 896 O ARG A 138 33.048 33.736 25.763 1.00 28.48 O +ATOM 897 CB ARG A 138 30.893 34.793 27.709 1.00 37.49 C +ATOM 898 CG ARG A 138 29.626 34.181 28.327 1.00 45.57 C +ATOM 899 CD ARG A 138 28.459 35.141 28.412 1.00 54.68 C +ATOM 900 NE ARG A 138 27.393 34.563 29.220 1.00 61.56 N +ATOM 901 CZ ARG A 138 26.218 35.058 29.512 1.00 66.57 C +ATOM 902 NH1 ARG A 138 25.835 36.249 29.054 1.00 70.60 N +ATOM 903 NH2 ARG A 138 25.382 34.372 30.301 1.00 67.47 N +ATOM 904 N ASP A 139 34.281 34.579 27.419 1.00 25.49 N +ATOM 905 CA ASP A 139 35.444 34.759 26.560 1.00 24.82 C +ATOM 906 C ASP A 139 36.198 33.444 26.364 1.00 26.26 C +ATOM 907 O ASP A 139 36.140 32.506 27.156 1.00 23.27 O +ATOM 908 CB ASP A 139 36.425 35.720 27.293 1.00 22.27 C +ATOM 909 CG ASP A 139 35.922 37.163 27.266 1.00 22.20 C +ATOM 910 OD1 ASP A 139 36.346 37.942 28.109 1.00 23.65 O +ATOM 911 OD2 ASP A 139 35.116 37.531 26.373 1.00 23.33 O +ATOM 912 N THR A 140 36.912 33.373 25.226 1.00 21.46 N +ATOM 913 CA THR A 140 37.843 32.236 25.061 1.00 21.10 C +ATOM 914 C THR A 140 39.002 32.580 26.022 1.00 20.66 C +ATOM 915 O THR A 140 39.253 33.785 26.209 1.00 20.34 O +ATOM 916 CB THR A 140 38.368 32.276 23.586 1.00 24.12 C +ATOM 917 OG1 THR A 140 37.242 31.882 22.773 1.00 21.86 O +ATOM 918 CG2 THR A 140 39.544 31.371 23.389 1.00 22.80 C +ATOM 919 N MET A 141 39.495 31.605 26.757 1.00 19.23 N +ATOM 920 CA MET A 141 40.533 31.798 27.752 1.00 22.51 C +ATOM 921 C MET A 141 41.867 31.210 27.332 1.00 20.47 C +ATOM 922 O MET A 141 41.942 30.213 26.620 1.00 21.87 O +ATOM 923 CB MET A 141 40.098 31.151 29.088 1.00 21.40 C +ATOM 924 CG MET A 141 38.781 31.719 29.631 1.00 23.93 C +ATOM 925 SD MET A 141 38.742 33.451 29.981 1.00 21.38 S +ATOM 926 CE MET A 141 39.811 33.581 31.425 1.00 24.50 C +ATOM 927 N LYS A 142 42.949 31.861 27.768 1.00 22.00 N +ATOM 928 CA LYS A 142 44.277 31.399 27.422 1.00 21.45 C +ATOM 929 C LYS A 142 45.167 31.222 28.674 1.00 23.39 C +ATOM 930 O LYS A 142 45.098 32.026 29.598 1.00 21.82 O +ATOM 931 CB LYS A 142 44.990 32.463 26.556 1.00 19.95 C +ATOM 932 CG LYS A 142 44.218 32.810 25.291 1.00 19.42 C +ATOM 933 CD LYS A 142 44.021 31.672 24.312 1.00 20.14 C +ATOM 934 CE LYS A 142 43.264 32.251 23.056 1.00 21.36 C +ATOM 935 NZ LYS A 142 43.156 31.184 21.998 1.00 17.56 N +ATOM 936 N ARG A 143 45.998 30.197 28.623 1.00 22.17 N +ATOM 937 CA ARG A 143 47.017 30.015 29.678 1.00 24.92 C +ATOM 938 C ARG A 143 48.366 30.464 29.082 1.00 23.36 C +ATOM 939 O ARG A 143 48.749 29.997 27.995 1.00 27.00 O +ATOM 940 CB ARG A 143 47.134 28.543 30.067 1.00 25.63 C +ATOM 941 CG ARG A 143 48.245 28.323 31.119 1.00 27.95 C +ATOM 942 CD ARG A 143 47.725 28.707 32.491 1.00 28.05 C +ATOM 943 NE ARG A 143 46.539 27.868 32.873 1.00 26.06 N +ATOM 944 CZ ARG A 143 45.845 28.195 33.969 1.00 23.76 C +ATOM 945 NH1 ARG A 143 44.773 27.477 34.320 1.00 26.65 N +ATOM 946 NH2 ARG A 143 46.188 29.217 34.744 1.00 25.60 N +ATOM 947 N ALA A 144 49.068 31.363 29.742 1.00 26.56 N +ATOM 948 CA ALA A 144 50.337 31.864 29.248 1.00 25.84 C +ATOM 949 C ALA A 144 51.485 30.888 29.494 1.00 30.25 C +ATOM 950 O ALA A 144 51.366 30.016 30.371 1.00 28.19 O +ATOM 951 CB ALA A 144 50.668 33.175 29.981 1.00 30.90 C +ATOM 952 N GLU A 145 52.544 31.054 28.710 1.00 29.48 N +ATOM 953 CA GLU A 145 53.747 30.201 28.989 1.00 33.43 C +ATOM 954 C GLU A 145 54.334 30.788 30.269 1.00 31.27 C +ATOM 955 O GLU A 145 54.262 31.972 30.518 1.00 31.45 O +ATOM 956 CB GLU A 145 54.708 30.339 27.814 1.00 36.65 C +ATOM 957 CG GLU A 145 54.223 29.748 26.504 1.00 39.47 C +ATOM 958 CD GLU A 145 55.145 29.969 25.321 1.00 44.00 C +ATOM 959 OE1 GLU A 145 55.943 30.935 25.293 1.00 44.70 O +ATOM 960 OE2 GLU A 145 55.066 29.191 24.338 1.00 44.41 O +ATOM 961 N PRO A 146 54.865 29.956 31.168 1.00 35.07 N +ATOM 962 CA PRO A 146 55.415 30.430 32.419 1.00 34.62 C +ATOM 963 C PRO A 146 56.447 31.528 32.244 1.00 35.24 C +ATOM 964 O PRO A 146 57.401 31.339 31.470 1.00 38.18 O +ATOM 965 CB PRO A 146 56.068 29.168 33.000 1.00 36.64 C +ATOM 966 CG PRO A 146 55.307 28.034 32.417 1.00 35.31 C +ATOM 967 CD PRO A 146 54.896 28.486 31.027 1.00 34.29 C +ATOM 968 N GLY A 147 56.245 32.683 32.838 1.00 35.97 N +ATOM 969 CA GLY A 147 57.093 33.838 32.799 1.00 37.58 C +ATOM 970 C GLY A 147 57.186 34.568 31.477 1.00 40.32 C +ATOM 971 O GLY A 147 58.050 35.445 31.266 1.00 38.99 O +ATOM 972 N LYS A 148 56.292 34.249 30.528 1.00 38.91 N +ATOM 973 CA LYS A 148 56.347 34.926 29.225 1.00 39.57 C +ATOM 974 C LYS A 148 54.970 35.466 28.856 1.00 38.40 C +ATOM 975 O LYS A 148 53.947 35.040 29.412 1.00 37.50 O +ATOM 976 CB LYS A 148 56.895 33.986 28.165 1.00 40.43 C +ATOM 977 CG LYS A 148 58.176 33.247 28.462 1.00 43.24 C +ATOM 978 N ASN A 149 54.919 36.469 27.977 1.00 38.06 N +ATOM 979 CA ASN A 149 53.579 37.015 27.623 1.00 39.70 C +ATOM 980 C ASN A 149 53.184 36.459 26.254 1.00 38.09 C +ATOM 981 O ASN A 149 52.998 37.188 25.269 1.00 40.18 O +ATOM 982 CB ASN A 149 53.523 38.505 27.714 1.00 44.62 C +ATOM 983 CG ASN A 149 53.498 39.074 29.116 1.00 47.45 C +ATOM 984 OD1 ASN A 149 52.864 38.554 30.041 1.00 47.21 O +ATOM 985 ND2 ASN A 149 54.185 40.200 29.304 1.00 51.25 N +ATOM 986 N ALA A 150 53.163 35.157 26.186 1.00 34.06 N +ATOM 987 CA ALA A 150 52.835 34.363 25.035 1.00 32.19 C +ATOM 988 C ALA A 150 51.912 33.218 25.441 1.00 31.49 C +ATOM 989 O ALA A 150 51.907 32.686 26.557 1.00 28.59 O +ATOM 990 CB ALA A 150 54.060 33.872 24.317 1.00 36.06 C +ATOM 991 N ILE A 151 50.999 32.908 24.504 1.00 25.44 N +ATOM 992 CA ILE A 151 50.041 31.868 24.760 1.00 24.99 C +ATOM 993 C ILE A 151 50.625 30.482 24.730 1.00 26.39 C +ATOM 994 O ILE A 151 51.228 30.057 23.735 1.00 28.00 O +ATOM 995 CB ILE A 151 48.906 31.916 23.687 1.00 20.73 C +ATOM 996 CG1 ILE A 151 48.114 33.229 23.930 1.00 22.49 C +ATOM 997 CG2 ILE A 151 48.017 30.717 23.811 1.00 21.66 C +ATOM 998 CD1 ILE A 151 47.246 33.505 22.661 1.00 24.78 C +ATOM 999 N ALA A 152 50.411 29.741 25.818 1.00 25.33 N +ATOM 1000 CA ALA A 152 50.873 28.355 25.852 1.00 26.26 C +ATOM 1001 C ALA A 152 49.772 27.535 25.190 1.00 26.72 C +ATOM 1002 O ALA A 152 50.013 26.832 24.206 1.00 26.66 O +ATOM 1003 CB ALA A 152 51.154 27.913 27.289 1.00 28.97 C +ATOM 1004 N HIS A 153 48.515 27.742 25.608 1.00 26.66 N +ATOM 1005 CA HIS A 153 47.411 27.007 25.002 1.00 26.99 C +ATOM 1006 C HIS A 153 46.076 27.623 25.443 1.00 24.54 C +ATOM 1007 O HIS A 153 46.050 28.444 26.360 1.00 26.48 O +ATOM 1008 CB HIS A 153 47.385 25.524 25.345 1.00 29.55 C +ATOM 1009 CG HIS A 153 47.349 25.241 26.819 1.00 33.02 C +ATOM 1010 ND1 HIS A 153 46.189 25.292 27.560 1.00 36.74 N +ATOM 1011 CD2 HIS A 153 48.357 24.990 27.691 1.00 33.94 C +ATOM 1012 CE1 HIS A 153 46.482 25.087 28.837 1.00 35.97 C +ATOM 1013 NE2 HIS A 153 47.780 24.900 28.949 1.00 33.64 N +ATOM 1014 N THR A 154 45.009 27.159 24.791 1.00 24.47 N +ATOM 1015 CA THR A 154 43.673 27.666 25.195 1.00 23.21 C +ATOM 1016 C THR A 154 43.123 26.832 26.352 1.00 26.93 C +ATOM 1017 O THR A 154 43.408 25.644 26.472 1.00 28.70 O +ATOM 1018 CB THR A 154 42.721 27.561 23.993 1.00 23.87 C +ATOM 1019 OG1 THR A 154 43.147 28.522 23.033 1.00 24.73 O +ATOM 1020 CG2 THR A 154 41.277 27.831 24.397 1.00 23.45 C +ATOM 1021 N VAL A 155 42.431 27.506 27.267 1.00 27.33 N +ATOM 1022 CA VAL A 155 41.765 26.870 28.402 1.00 27.70 C +ATOM 1023 C VAL A 155 40.281 26.818 28.058 1.00 28.33 C +ATOM 1024 O VAL A 155 39.684 27.874 27.830 1.00 26.11 O +ATOM 1025 CB VAL A 155 41.940 27.672 29.711 1.00 29.07 C +ATOM 1026 CG1 VAL A 155 41.082 27.101 30.854 1.00 27.87 C +ATOM 1027 CG2 VAL A 155 43.401 27.666 30.138 1.00 29.61 C +ATOM 1028 N ASP A 156 39.731 25.610 27.982 1.00 28.86 N +ATOM 1029 CA ASP A 156 38.319 25.468 27.636 1.00 30.37 C +ATOM 1030 C ASP A 156 37.420 26.225 28.594 1.00 28.77 C +ATOM 1031 O ASP A 156 37.438 26.044 29.812 1.00 25.53 O +ATOM 1032 CB ASP A 156 37.950 23.983 27.545 1.00 35.43 C +ATOM 1033 CG ASP A 156 36.567 23.702 27.009 1.00 40.42 C +ATOM 1034 OD1 ASP A 156 36.153 22.510 27.029 1.00 48.04 O +ATOM 1035 OD2 ASP A 156 35.847 24.608 26.544 1.00 38.19 O +ATOM 1036 N ARG A 157 36.544 27.064 28.021 1.00 29.17 N +ATOM 1037 CA ARG A 157 35.631 27.878 28.816 1.00 28.90 C +ATOM 1038 C ARG A 157 34.337 27.190 29.120 1.00 29.68 C +ATOM 1039 O ARG A 157 33.491 27.705 29.859 1.00 26.38 O +ATOM 1040 CB ARG A 157 35.342 29.211 28.099 1.00 32.12 C +ATOM 1041 CG ARG A 157 34.598 29.034 26.772 1.00 34.65 C +ATOM 1042 CD ARG A 157 33.974 30.373 26.343 1.00 38.58 C +ATOM 1043 NE ARG A 157 32.779 30.192 25.576 1.00 51.20 N +ATOM 1044 CZ ARG A 157 32.261 30.900 24.597 1.00 57.79 C +ATOM 1045 NH1 ARG A 157 31.114 30.509 24.027 1.00 60.18 N +ATOM 1046 NH2 ARG A 157 32.847 31.996 24.128 1.00 62.00 N +ATOM 1047 N ASN A 158 34.092 26.037 28.433 1.00 28.84 N +ATOM 1048 CA ASN A 158 32.775 25.413 28.776 1.00 30.79 C +ATOM 1049 C ASN A 158 32.836 24.941 30.211 1.00 27.78 C +ATOM 1050 O ASN A 158 33.787 24.248 30.594 1.00 26.70 O +ATOM 1051 CB ASN A 158 32.518 24.234 27.833 1.00 36.75 C +ATOM 1052 CG ASN A 158 31.066 24.243 27.371 1.00 47.64 C +ATOM 1053 OD1 ASN A 158 30.195 23.650 28.001 1.00 48.01 O +ATOM 1054 ND2 ASN A 158 30.819 24.982 26.283 1.00 50.14 N +ATOM 1055 N GLY A 159 31.804 25.182 31.006 1.00 25.90 N +ATOM 1056 CA GLY A 159 31.839 24.732 32.417 1.00 23.80 C +ATOM 1057 C GLY A 159 32.721 25.652 33.275 1.00 24.73 C +ATOM 1058 O GLY A 159 32.965 25.311 34.455 1.00 24.38 O +ATOM 1059 N LEU A 160 33.199 26.753 32.781 1.00 22.54 N +ATOM 1060 CA LEU A 160 34.056 27.698 33.524 1.00 23.76 C +ATOM 1061 C LEU A 160 33.226 28.872 34.014 1.00 23.50 C +ATOM 1062 O LEU A 160 32.424 29.462 33.283 1.00 21.72 O +ATOM 1063 CB LEU A 160 35.198 28.144 32.600 1.00 27.65 C +ATOM 1064 CG LEU A 160 36.353 28.883 33.270 1.00 27.66 C +ATOM 1065 CD1 LEU A 160 37.087 27.951 34.247 1.00 25.84 C +ATOM 1066 CD2 LEU A 160 37.325 29.450 32.271 1.00 25.98 C +ATOM 1067 N TRP A 161 33.296 29.176 35.319 1.00 23.09 N +ATOM 1068 CA TRP A 161 32.506 30.216 35.920 1.00 22.21 C +ATOM 1069 C TRP A 161 33.283 31.191 36.813 1.00 21.58 C +ATOM 1070 O TRP A 161 34.273 30.833 37.442 1.00 19.90 O +ATOM 1071 CB TRP A 161 31.502 29.517 36.897 1.00 24.01 C +ATOM 1072 CG TRP A 161 30.455 28.675 36.269 1.00 25.26 C +ATOM 1073 CD1 TRP A 161 30.584 27.412 35.743 1.00 20.80 C +ATOM 1074 CD2 TRP A 161 29.068 29.015 36.138 1.00 25.80 C +ATOM 1075 NE1 TRP A 161 29.362 26.948 35.315 1.00 23.28 N +ATOM 1076 CE2 TRP A 161 28.431 27.938 35.507 1.00 28.20 C +ATOM 1077 CE3 TRP A 161 28.319 30.149 36.472 1.00 27.66 C +ATOM 1078 CZ2 TRP A 161 27.055 27.928 35.247 1.00 32.46 C +ATOM 1079 CZ3 TRP A 161 26.957 30.148 36.205 1.00 31.83 C +ATOM 1080 CH2 TRP A 161 26.348 29.047 35.585 1.00 34.24 C +ATOM 1081 N HIS A 162 32.847 32.449 36.804 1.00 21.88 N +ATOM 1082 CA HIS A 162 33.394 33.463 37.715 1.00 20.13 C +ATOM 1083 C HIS A 162 32.696 33.240 39.093 1.00 23.65 C +ATOM 1084 O HIS A 162 31.471 33.246 39.126 1.00 23.10 O +ATOM 1085 CB HIS A 162 32.968 34.851 37.262 1.00 23.33 C +ATOM 1086 CG HIS A 162 33.498 35.293 35.918 1.00 24.75 C +ATOM 1087 ND1 HIS A 162 34.692 35.977 35.799 1.00 23.55 N +ATOM 1088 CD2 HIS A 162 32.941 35.240 34.691 1.00 26.08 C +ATOM 1089 CE1 HIS A 162 34.864 36.287 34.512 1.00 25.74 C +ATOM 1090 NE2 HIS A 162 33.837 35.823 33.810 1.00 26.11 N +ATOM 1091 N ALA A 163 33.462 33.054 40.161 1.00 19.99 N +ATOM 1092 CA ALA A 163 32.832 32.869 41.465 1.00 21.96 C +ATOM 1093 C ALA A 163 32.409 34.221 42.035 1.00 20.96 C +ATOM 1094 O ALA A 163 33.150 35.187 41.891 1.00 23.61 O +ATOM 1095 CB ALA A 163 33.799 32.193 42.445 1.00 19.55 C +ATOM 1096 N LEU A 164 31.215 34.256 42.604 1.00 21.06 N +ATOM 1097 CA LEU A 164 30.753 35.528 43.226 1.00 20.17 C +ATOM 1098 C LEU A 164 30.384 35.183 44.703 1.00 21.65 C +ATOM 1099 O LEU A 164 30.644 34.071 45.169 1.00 19.54 O +ATOM 1100 CB LEU A 164 29.501 36.010 42.503 1.00 20.31 C +ATOM 1101 CG LEU A 164 29.626 36.177 40.959 1.00 20.14 C +ATOM 1102 CD1 LEU A 164 28.250 36.417 40.351 1.00 22.09 C +ATOM 1103 CD2 LEU A 164 30.554 37.350 40.650 1.00 24.08 C +ATOM 1104 N THR A 165 29.847 36.176 45.400 1.00 21.12 N +ATOM 1105 CA THR A 165 29.304 35.887 46.782 1.00 22.35 C +ATOM 1106 C THR A 165 27.923 36.545 46.720 1.00 23.87 C +ATOM 1107 O THR A 165 27.754 37.434 45.856 1.00 23.25 O +ATOM 1108 CB THR A 165 30.140 36.365 47.920 1.00 20.73 C +ATOM 1109 OG1 THR A 165 30.082 37.791 48.126 1.00 20.53 O +ATOM 1110 CG2 THR A 165 31.623 35.982 47.739 1.00 20.32 C +ATOM 1111 N PRO A 166 26.982 36.240 47.584 1.00 21.81 N +ATOM 1112 CA PRO A 166 27.142 35.349 48.689 1.00 19.85 C +ATOM 1113 C PRO A 166 27.422 33.886 48.357 1.00 20.04 C +ATOM 1114 O PRO A 166 27.209 33.402 47.234 1.00 20.89 O +ATOM 1115 CB PRO A 166 25.798 35.434 49.424 1.00 20.37 C +ATOM 1116 CG PRO A 166 25.202 36.751 49.031 1.00 22.05 C +ATOM 1117 CD PRO A 166 25.654 36.936 47.592 1.00 20.94 C +ATOM 1118 N GLN A 167 27.899 33.189 49.382 1.00 19.05 N +ATOM 1119 CA GLN A 167 28.161 31.716 49.333 1.00 18.77 C +ATOM 1120 C GLN A 167 27.291 31.211 50.496 1.00 20.90 C +ATOM 1121 O GLN A 167 27.432 31.785 51.606 1.00 21.32 O +ATOM 1122 CB GLN A 167 29.669 31.485 49.476 1.00 18.30 C +ATOM 1123 CG GLN A 167 30.431 32.194 48.307 1.00 20.53 C +ATOM 1124 CD GLN A 167 31.722 31.557 47.932 1.00 20.24 C +ATOM 1125 OE1 GLN A 167 32.265 30.678 48.641 1.00 19.31 O +ATOM 1126 NE2 GLN A 167 32.304 31.958 46.768 1.00 18.45 N +ATOM 1127 N PHE A 168 26.430 30.257 50.251 1.00 19.08 N +ATOM 1128 CA PHE A 168 25.417 29.800 51.206 1.00 20.11 C +ATOM 1129 C PHE A 168 25.536 28.348 51.557 1.00 20.03 C +ATOM 1130 O PHE A 168 25.499 27.474 50.692 1.00 20.13 O +ATOM 1131 CB PHE A 168 24.078 30.099 50.523 1.00 18.74 C +ATOM 1132 CG PHE A 168 22.860 29.869 51.392 1.00 19.18 C +ATOM 1133 CD1 PHE A 168 22.754 30.483 52.603 1.00 19.07 C +ATOM 1134 CD2 PHE A 168 21.776 29.186 50.831 1.00 22.59 C +ATOM 1135 CE1 PHE A 168 21.597 30.323 53.374 1.00 22.74 C +ATOM 1136 CE2 PHE A 168 20.620 29.006 51.606 1.00 24.07 C +ATOM 1137 CZ PHE A 168 20.549 29.571 52.852 1.00 21.03 C +ATOM 1138 N PHE A 169 25.704 28.047 52.869 1.00 20.19 N +ATOM 1139 CA PHE A 169 25.963 26.658 53.271 1.00 20.83 C +ATOM 1140 C PHE A 169 25.304 26.269 54.593 1.00 21.22 C +ATOM 1141 O PHE A 169 25.110 27.152 55.431 1.00 22.12 O +ATOM 1142 CB PHE A 169 27.489 26.496 53.565 1.00 19.58 C +ATOM 1143 CG PHE A 169 28.375 26.938 52.426 1.00 20.66 C +ATOM 1144 CD1 PHE A 169 28.558 26.108 51.334 1.00 25.13 C +ATOM 1145 CD2 PHE A 169 28.968 28.194 52.438 1.00 22.46 C +ATOM 1146 CE1 PHE A 169 29.348 26.520 50.256 1.00 26.21 C +ATOM 1147 CE2 PHE A 169 29.766 28.578 51.367 1.00 21.95 C +ATOM 1148 CZ PHE A 169 29.950 27.768 50.288 1.00 25.67 C +ATOM 1149 N PRO A 170 25.094 24.982 54.742 1.00 20.59 N +ATOM 1150 CA PRO A 170 24.534 24.487 56.033 1.00 23.75 C +ATOM 1151 C PRO A 170 25.538 24.908 57.098 1.00 23.33 C +ATOM 1152 O PRO A 170 26.764 24.848 56.847 1.00 25.18 O +ATOM 1153 CB PRO A 170 24.557 22.975 55.859 1.00 23.65 C +ATOM 1154 CG PRO A 170 24.513 22.742 54.397 1.00 23.07 C +ATOM 1155 CD PRO A 170 25.257 23.899 53.776 1.00 22.97 C +ATOM 1156 N ARG A 171 25.062 25.331 58.242 1.00 23.16 N +ATOM 1157 CA ARG A 171 25.951 25.828 59.309 1.00 23.53 C +ATOM 1158 C ARG A 171 26.936 24.797 59.797 1.00 22.79 C +ATOM 1159 O ARG A 171 28.152 25.071 59.875 1.00 23.80 O +ATOM 1160 CB ARG A 171 25.032 26.270 60.464 1.00 30.99 C +ATOM 1161 CG ARG A 171 25.574 27.466 61.242 1.00 38.14 C +ATOM 1162 CD ARG A 171 26.690 27.126 62.135 1.00 38.87 C +ATOM 1163 NE ARG A 171 26.753 27.733 63.417 1.00 36.13 N +ATOM 1164 CZ ARG A 171 25.878 28.276 64.223 1.00 40.58 C +ATOM 1165 NH1 ARG A 171 24.598 28.380 63.905 1.00 41.38 N +ATOM 1166 NH2 ARG A 171 26.307 28.732 65.418 1.00 33.75 N +ATOM 1167 N GLU A 172 26.541 23.560 60.029 1.00 21.70 N +ATOM 1168 CA GLU A 172 27.460 22.559 60.552 1.00 24.36 C +ATOM 1169 C GLU A 172 28.522 22.122 59.539 1.00 22.15 C +ATOM 1170 O GLU A 172 29.704 22.003 59.877 1.00 23.47 O +ATOM 1171 CB GLU A 172 26.687 21.355 61.074 1.00 28.91 C +ATOM 1172 CG GLU A 172 27.553 20.171 61.464 1.00 35.55 C +ATOM 1173 N LEU A 173 28.118 21.883 58.325 1.00 24.81 N +ATOM 1174 CA LEU A 173 29.059 21.471 57.255 1.00 21.95 C +ATOM 1175 C LEU A 173 30.121 22.525 57.065 1.00 23.11 C +ATOM 1176 O LEU A 173 31.316 22.254 56.959 1.00 21.04 O +ATOM 1177 CB LEU A 173 28.261 21.220 55.988 1.00 25.81 C +ATOM 1178 CG LEU A 173 29.105 20.729 54.780 1.00 24.28 C +ATOM 1179 CD1 LEU A 173 29.699 19.367 55.157 1.00 31.10 C +ATOM 1180 CD2 LEU A 173 28.241 20.642 53.549 1.00 28.42 C +ATOM 1181 N LEU A 174 29.667 23.814 56.970 1.00 20.49 N +ATOM 1182 CA LEU A 174 30.631 24.882 56.818 1.00 21.29 C +ATOM 1183 C LEU A 174 31.589 24.945 57.987 1.00 20.00 C +ATOM 1184 O LEU A 174 32.801 24.988 57.836 1.00 20.79 O +ATOM 1185 CB LEU A 174 29.955 26.248 56.616 1.00 22.50 C +ATOM 1186 CG LEU A 174 30.916 27.410 56.394 1.00 21.80 C +ATOM 1187 CD1 LEU A 174 31.722 27.230 55.098 1.00 24.98 C +ATOM 1188 CD2 LEU A 174 30.154 28.738 56.349 1.00 22.40 C +ATOM 1189 N HIS A 175 31.046 24.961 59.226 1.00 20.24 N +ATOM 1190 CA HIS A 175 31.925 25.006 60.383 1.00 22.57 C +ATOM 1191 C HIS A 175 32.922 23.844 60.408 1.00 20.53 C +ATOM 1192 O HIS A 175 34.127 24.045 60.610 1.00 21.18 O +ATOM 1193 CB HIS A 175 31.059 24.880 61.677 1.00 22.57 C +ATOM 1194 CG HIS A 175 31.925 24.714 62.894 1.00 26.83 C +ATOM 1195 ND1 HIS A 175 32.405 23.479 63.271 1.00 27.66 N +ATOM 1196 CD2 HIS A 175 32.443 25.623 63.758 1.00 29.25 C +ATOM 1197 CE1 HIS A 175 33.136 23.635 64.385 1.00 29.95 C +ATOM 1198 NE2 HIS A 175 33.187 24.911 64.688 1.00 28.33 N +ATOM 1199 N ASP A 176 32.435 22.653 60.164 1.00 22.38 N +ATOM 1200 CA ASP A 176 33.301 21.469 60.252 1.00 23.08 C +ATOM 1201 C ASP A 176 34.360 21.439 59.177 1.00 24.00 C +ATOM 1202 O ASP A 176 35.544 21.109 59.416 1.00 23.19 O +ATOM 1203 CB ASP A 176 32.454 20.208 60.271 1.00 26.04 C +ATOM 1204 CG ASP A 176 31.632 20.079 61.552 1.00 26.69 C +ATOM 1205 OD1 ASP A 176 30.858 19.108 61.633 1.00 27.42 O +ATOM 1206 OD2 ASP A 176 31.714 20.913 62.460 1.00 23.82 O +ATOM 1207 N CYS A 177 33.932 21.754 57.951 1.00 20.62 N +ATOM 1208 CA CYS A 177 34.918 21.756 56.879 1.00 22.07 C +ATOM 1209 C CYS A 177 35.959 22.843 57.027 1.00 21.71 C +ATOM 1210 O CYS A 177 37.164 22.658 56.750 1.00 24.28 O +ATOM 1211 CB CYS A 177 34.249 21.909 55.542 1.00 23.59 C +ATOM 1212 SG ACYS A 177 35.271 21.768 54.155 0.65 19.45 S +ATOM 1213 SG BCYS A 177 33.285 20.719 54.745 0.35 19.78 S +ATOM 1214 N LEU A 178 35.497 24.111 57.226 1.00 21.58 N +ATOM 1215 CA LEU A 178 36.422 25.205 57.374 1.00 22.45 C +ATOM 1216 C LEU A 178 37.429 24.889 58.492 1.00 21.61 C +ATOM 1217 O LEU A 178 38.612 25.203 58.372 1.00 22.26 O +ATOM 1218 CB LEU A 178 35.703 26.508 57.778 1.00 22.48 C +ATOM 1219 CG LEU A 178 35.757 27.698 56.871 1.00 31.79 C +ATOM 1220 CD1 LEU A 178 35.243 28.944 57.597 1.00 30.62 C +ATOM 1221 CD2 LEU A 178 37.150 27.952 56.298 1.00 34.02 C +ATOM 1222 N THR A 179 36.910 24.401 59.628 1.00 24.00 N +ATOM 1223 CA THR A 179 37.822 24.076 60.733 1.00 21.00 C +ATOM 1224 C THR A 179 38.876 23.072 60.270 1.00 22.60 C +ATOM 1225 O THR A 179 40.067 23.265 60.495 1.00 23.31 O +ATOM 1226 CB THR A 179 37.023 23.450 61.902 1.00 25.66 C +ATOM 1227 OG1 THR A 179 36.085 24.447 62.358 1.00 24.54 O +ATOM 1228 CG2 THR A 179 37.938 23.091 63.066 1.00 25.36 C +ATOM 1229 N ARG A 180 38.416 21.964 59.669 1.00 21.77 N +ATOM 1230 CA ARG A 180 39.394 20.958 59.227 1.00 21.80 C +ATOM 1231 C ARG A 180 40.380 21.476 58.212 1.00 21.51 C +ATOM 1232 O ARG A 180 41.603 21.307 58.361 1.00 23.05 O +ATOM 1233 CB ARG A 180 38.654 19.720 58.664 1.00 22.05 C +ATOM 1234 CG ARG A 180 39.686 18.672 58.157 1.00 20.97 C +ATOM 1235 CD ARG A 180 40.531 18.182 59.351 1.00 19.17 C +ATOM 1236 NE ARG A 180 39.714 17.573 60.380 1.00 22.98 N +ATOM 1237 CZ ARG A 180 39.210 16.347 60.414 1.00 24.23 C +ATOM 1238 NH1 ARG A 180 38.459 16.009 61.482 1.00 19.45 N +ATOM 1239 NH2 ARG A 180 39.444 15.438 59.482 1.00 23.54 N +ATOM 1240 N ALA A 181 39.928 22.223 57.219 1.00 21.33 N +ATOM 1241 CA ALA A 181 40.825 22.767 56.173 1.00 24.12 C +ATOM 1242 C ALA A 181 41.881 23.661 56.779 1.00 27.02 C +ATOM 1243 O ALA A 181 43.067 23.614 56.457 1.00 27.24 O +ATOM 1244 CB ALA A 181 39.998 23.518 55.144 1.00 23.70 C +ATOM 1245 N LEU A 182 41.424 24.563 57.681 1.00 25.03 N +ATOM 1246 CA LEU A 182 42.374 25.463 58.315 1.00 28.78 C +ATOM 1247 C LEU A 182 43.386 24.705 59.166 1.00 28.87 C +ATOM 1248 O LEU A 182 44.574 24.982 59.066 1.00 30.41 O +ATOM 1249 CB LEU A 182 41.636 26.477 59.172 1.00 29.47 C +ATOM 1250 CG LEU A 182 40.924 27.613 58.431 1.00 35.14 C +ATOM 1251 CD1 LEU A 182 40.307 28.526 59.499 1.00 35.04 C +ATOM 1252 CD2 LEU A 182 41.884 28.404 57.560 1.00 37.53 C +ATOM 1253 N ASN A 183 42.938 23.718 59.929 1.00 30.09 N +ATOM 1254 CA ASN A 183 43.848 22.930 60.776 1.00 31.16 C +ATOM 1255 C ASN A 183 44.876 22.192 59.941 1.00 31.44 C +ATOM 1256 O ASN A 183 46.053 22.090 60.301 1.00 34.27 O +ATOM 1257 CB ASN A 183 43.038 21.904 61.591 1.00 29.08 C +ATOM 1258 CG ASN A 183 42.342 22.565 62.772 1.00 32.16 C +ATOM 1259 OD1 ASN A 183 42.601 23.735 63.062 1.00 38.78 O +ATOM 1260 ND2 ASN A 183 41.457 21.850 63.435 1.00 30.82 N +ATOM 1261 N GLU A 184 44.458 21.645 58.804 1.00 30.82 N +ATOM 1262 CA GLU A 184 45.321 20.935 57.901 1.00 28.65 C +ATOM 1263 C GLU A 184 46.131 21.869 57.007 1.00 29.60 C +ATOM 1264 O GLU A 184 46.898 21.414 56.147 1.00 29.44 O +ATOM 1265 CB GLU A 184 44.491 19.976 57.009 1.00 26.60 C +ATOM 1266 CG GLU A 184 43.945 18.792 57.828 1.00 29.52 C +ATOM 1267 CD GLU A 184 45.111 17.899 58.260 1.00 31.11 C +ATOM 1268 OE1 GLU A 184 45.696 17.258 57.348 1.00 28.64 O +ATOM 1269 OE2 GLU A 184 45.390 17.876 59.461 1.00 33.41 O +ATOM 1270 N GLY A 185 45.969 23.168 57.143 1.00 31.28 N +ATOM 1271 CA GLY A 185 46.732 24.141 56.367 1.00 31.37 C +ATOM 1272 C GLY A 185 46.396 24.236 54.933 1.00 32.15 C +ATOM 1273 O GLY A 185 47.219 24.600 54.033 1.00 33.13 O +ATOM 1274 N ALA A 186 45.156 23.929 54.563 1.00 31.34 N +ATOM 1275 CA ALA A 186 44.731 24.033 53.184 1.00 30.51 C +ATOM 1276 C ALA A 186 44.811 25.506 52.732 1.00 32.22 C +ATOM 1277 O ALA A 186 44.764 26.382 53.584 1.00 30.42 O +ATOM 1278 CB ALA A 186 43.273 23.591 53.078 1.00 32.30 C +ATOM 1279 N THR A 187 44.925 25.697 51.435 1.00 31.51 N +ATOM 1280 CA THR A 187 44.974 27.026 50.800 1.00 34.33 C +ATOM 1281 C THR A 187 43.536 27.445 50.492 1.00 32.67 C +ATOM 1282 O THR A 187 42.911 27.005 49.521 1.00 37.21 O +ATOM 1283 CB THR A 187 45.820 26.997 49.519 1.00 38.02 C +ATOM 1284 OG1 THR A 187 47.150 26.527 49.824 1.00 42.99 O +ATOM 1285 CG2 THR A 187 45.932 28.367 48.876 1.00 42.20 C +ATOM 1286 N ILE A 188 42.977 28.279 51.344 1.00 33.53 N +ATOM 1287 CA ILE A 188 41.571 28.679 51.235 1.00 32.58 C +ATOM 1288 C ILE A 188 41.407 30.062 50.616 1.00 34.40 C +ATOM 1289 O ILE A 188 41.997 31.045 51.070 1.00 35.27 O +ATOM 1290 CB ILE A 188 40.929 28.677 52.629 1.00 34.29 C +ATOM 1291 CG1 ILE A 188 41.077 27.294 53.292 1.00 36.32 C +ATOM 1292 CG2 ILE A 188 39.455 29.082 52.610 1.00 33.72 C +ATOM 1293 CD1 ILE A 188 40.532 27.248 54.702 1.00 36.32 C +ATOM 1294 N THR A 189 40.575 30.137 49.596 1.00 29.40 N +ATOM 1295 CA THR A 189 40.271 31.422 48.969 1.00 29.42 C +ATOM 1296 C THR A 189 38.869 31.823 49.436 1.00 27.52 C +ATOM 1297 O THR A 189 38.789 32.539 50.430 1.00 29.08 O +ATOM 1298 CB THR A 189 40.366 31.322 47.454 1.00 30.10 C +ATOM 1299 OG1 THR A 189 39.748 30.103 47.028 1.00 29.98 O +ATOM 1300 CG2 THR A 189 41.849 31.255 47.034 1.00 33.90 C +ATOM 1301 N ASP A 190 37.825 31.226 48.867 1.00 24.69 N +ATOM 1302 CA ASP A 190 36.459 31.500 49.320 1.00 22.26 C +ATOM 1303 C ASP A 190 35.948 30.310 50.141 1.00 21.98 C +ATOM 1304 O ASP A 190 36.665 29.324 50.298 1.00 22.28 O +ATOM 1305 CB ASP A 190 35.503 31.804 48.177 1.00 20.86 C +ATOM 1306 CG ASP A 190 35.448 30.748 47.093 1.00 22.29 C +ATOM 1307 OD1 ASP A 190 34.794 30.995 46.065 1.00 21.88 O +ATOM 1308 OD2 ASP A 190 36.010 29.633 47.250 1.00 23.85 O +ATOM 1309 N GLU A 191 34.714 30.441 50.639 1.00 21.14 N +ATOM 1310 CA GLU A 191 34.163 29.366 51.476 1.00 20.53 C +ATOM 1311 C GLU A 191 34.009 28.134 50.627 1.00 18.76 C +ATOM 1312 O GLU A 191 34.252 27.014 51.105 1.00 18.98 O +ATOM 1313 CB GLU A 191 32.880 29.775 52.168 1.00 21.05 C +ATOM 1314 CG GLU A 191 33.061 30.819 53.270 1.00 24.06 C +ATOM 1315 CD GLU A 191 33.607 32.128 52.705 1.00 28.09 C +ATOM 1316 OE1 GLU A 191 33.145 32.582 51.634 1.00 26.56 O +ATOM 1317 OE2 GLU A 191 34.541 32.672 53.298 1.00 29.87 O +ATOM 1318 N ALA A 192 33.547 28.296 49.372 1.00 18.33 N +ATOM 1319 CA ALA A 192 33.441 27.104 48.508 1.00 17.78 C +ATOM 1320 C ALA A 192 34.732 26.321 48.464 1.00 20.04 C +ATOM 1321 O ALA A 192 34.717 25.062 48.398 1.00 19.96 O +ATOM 1322 CB ALA A 192 33.074 27.538 47.069 1.00 16.12 C +ATOM 1323 N SER A 193 35.878 27.001 48.400 1.00 19.57 N +ATOM 1324 CA SER A 193 37.179 26.274 48.303 1.00 21.38 C +ATOM 1325 C SER A 193 37.420 25.415 49.526 1.00 21.37 C +ATOM 1326 O SER A 193 38.137 24.372 49.419 1.00 20.07 O +ATOM 1327 CB SER A 193 38.312 27.268 48.064 1.00 20.87 C +ATOM 1328 OG SER A 193 38.672 27.972 49.246 1.00 23.37 O +ATOM 1329 N ALA A 194 36.885 25.748 50.693 1.00 21.46 N +ATOM 1330 CA ALA A 194 37.045 24.872 51.859 1.00 21.52 C +ATOM 1331 C ALA A 194 36.203 23.617 51.648 1.00 21.38 C +ATOM 1332 O ALA A 194 36.676 22.506 51.876 1.00 21.24 O +ATOM 1333 CB ALA A 194 36.629 25.553 53.169 1.00 20.74 C +ATOM 1334 N LEU A 195 34.964 23.780 51.140 1.00 18.27 N +ATOM 1335 CA LEU A 195 34.121 22.626 50.878 1.00 20.28 C +ATOM 1336 C LEU A 195 34.796 21.727 49.833 1.00 20.76 C +ATOM 1337 O LEU A 195 34.753 20.490 49.904 1.00 20.21 O +ATOM 1338 CB LEU A 195 32.701 23.038 50.455 1.00 19.52 C +ATOM 1339 CG LEU A 195 31.729 23.148 51.682 1.00 22.64 C +ATOM 1340 CD1 LEU A 195 32.171 24.363 52.490 1.00 26.40 C +ATOM 1341 CD2 LEU A 195 30.302 23.265 51.200 1.00 31.92 C +ATOM 1342 N GLU A 196 35.442 22.340 48.853 1.00 18.83 N +ATOM 1343 CA GLU A 196 36.157 21.596 47.800 1.00 18.38 C +ATOM 1344 C GLU A 196 37.276 20.754 48.394 1.00 20.93 C +ATOM 1345 O GLU A 196 37.519 19.568 48.041 1.00 21.25 O +ATOM 1346 CB GLU A 196 36.753 22.624 46.816 1.00 19.89 C +ATOM 1347 CG GLU A 196 35.635 23.386 46.089 1.00 27.45 C +ATOM 1348 CD GLU A 196 36.205 24.577 45.295 1.00 28.88 C +ATOM 1349 OE1 GLU A 196 35.423 25.539 45.168 1.00 27.02 O +ATOM 1350 OE2 GLU A 196 37.397 24.492 44.911 1.00 31.03 O +ATOM 1351 N TYR A 197 38.020 21.370 49.295 1.00 17.73 N +ATOM 1352 CA TYR A 197 39.129 20.668 49.961 1.00 21.34 C +ATOM 1353 C TYR A 197 38.641 19.435 50.704 1.00 20.98 C +ATOM 1354 O TYR A 197 39.280 18.385 50.669 1.00 19.77 O +ATOM 1355 CB TYR A 197 39.745 21.650 50.991 1.00 24.02 C +ATOM 1356 CG TYR A 197 40.903 20.984 51.712 1.00 27.12 C +ATOM 1357 CD1 TYR A 197 42.111 20.959 51.015 1.00 30.57 C +ATOM 1358 CD2 TYR A 197 40.798 20.354 52.931 1.00 30.09 C +ATOM 1359 CE1 TYR A 197 43.218 20.381 51.565 1.00 31.51 C +ATOM 1360 CE2 TYR A 197 41.933 19.735 53.499 1.00 32.03 C +ATOM 1361 CZ TYR A 197 43.108 19.756 52.791 1.00 32.07 C +ATOM 1362 OH TYR A 197 44.273 19.184 53.273 1.00 36.79 O +ATOM 1363 N CYS A 198 37.449 19.540 51.319 1.00 18.64 N +ATOM 1364 CA CYS A 198 36.871 18.447 52.073 1.00 21.76 C +ATOM 1365 C CYS A 198 36.179 17.413 51.199 1.00 20.82 C +ATOM 1366 O CYS A 198 35.827 16.350 51.738 1.00 23.70 O +ATOM 1367 CB CYS A 198 35.867 18.978 53.123 1.00 22.65 C +ATOM 1368 SG CYS A 198 36.553 20.121 54.336 1.00 21.10 S +ATOM 1369 N GLY A 199 36.050 17.667 49.913 1.00 20.78 N +ATOM 1370 CA GLY A 199 35.478 16.721 48.981 1.00 19.84 C +ATOM 1371 C GLY A 199 34.043 16.941 48.601 1.00 23.77 C +ATOM 1372 O GLY A 199 33.367 16.008 48.121 1.00 24.16 O +ATOM 1373 N PHE A 200 33.488 18.117 48.907 1.00 21.86 N +ATOM 1374 CA PHE A 200 32.140 18.461 48.606 1.00 22.79 C +ATOM 1375 C PHE A 200 32.102 19.361 47.361 1.00 23.97 C +ATOM 1376 O PHE A 200 33.108 19.837 46.854 1.00 23.52 O +ATOM 1377 CB PHE A 200 31.402 19.116 49.780 1.00 20.68 C +ATOM 1378 CG PHE A 200 31.425 18.233 51.015 1.00 25.47 C +ATOM 1379 CD1 PHE A 200 32.394 18.390 51.979 1.00 29.31 C +ATOM 1380 CD2 PHE A 200 30.478 17.244 51.178 1.00 30.34 C +ATOM 1381 CE1 PHE A 200 32.414 17.579 53.114 1.00 27.84 C +ATOM 1382 CE2 PHE A 200 30.491 16.419 52.301 1.00 31.32 C +ATOM 1383 CZ PHE A 200 31.474 16.573 53.242 1.00 27.88 C +ATOM 1384 N HIS A 201 30.906 19.395 46.776 1.00 19.96 N +ATOM 1385 CA HIS A 201 30.679 20.124 45.534 1.00 23.49 C +ATOM 1386 C HIS A 201 29.477 21.049 45.636 1.00 22.39 C +ATOM 1387 O HIS A 201 28.370 20.688 45.256 1.00 22.84 O +ATOM 1388 CB HIS A 201 30.426 19.105 44.397 1.00 25.56 C +ATOM 1389 CG HIS A 201 31.567 18.141 44.307 1.00 29.07 C +ATOM 1390 ND1 HIS A 201 32.713 18.394 43.628 1.00 30.20 N +ATOM 1391 CD2 HIS A 201 31.716 16.908 44.896 1.00 33.92 C +ATOM 1392 CE1 HIS A 201 33.546 17.373 43.774 1.00 31.67 C +ATOM 1393 NE2 HIS A 201 32.952 16.465 44.531 1.00 35.48 N +ATOM 1394 N PRO A 202 29.749 22.283 46.032 1.00 22.81 N +ATOM 1395 CA PRO A 202 28.711 23.295 46.151 1.00 22.90 C +ATOM 1396 C PRO A 202 28.103 23.591 44.774 1.00 22.40 C +ATOM 1397 O PRO A 202 28.743 23.477 43.719 1.00 21.08 O +ATOM 1398 CB PRO A 202 29.435 24.476 46.746 1.00 21.87 C +ATOM 1399 CG PRO A 202 30.729 23.970 47.320 1.00 21.01 C +ATOM 1400 CD PRO A 202 31.088 22.793 46.418 1.00 21.04 C +ATOM 1401 N GLN A 203 26.818 23.915 44.785 1.00 22.00 N +ATOM 1402 CA GLN A 203 26.067 24.201 43.542 1.00 22.26 C +ATOM 1403 C GLN A 203 26.447 25.587 43.031 1.00 23.20 C +ATOM 1404 O GLN A 203 26.746 26.498 43.826 1.00 22.47 O +ATOM 1405 CB GLN A 203 24.570 24.211 43.896 1.00 27.04 C +ATOM 1406 CG GLN A 203 23.937 22.858 44.110 1.00 33.50 C +ATOM 1407 N LEU A 204 26.390 25.734 41.720 1.00 20.94 N +ATOM 1408 CA LEU A 204 26.614 27.025 41.063 1.00 20.76 C +ATOM 1409 C LEU A 204 25.234 27.612 40.681 1.00 24.55 C +ATOM 1410 O LEU A 204 24.471 26.950 39.952 1.00 23.81 O +ATOM 1411 CB LEU A 204 27.453 26.776 39.809 1.00 21.06 C +ATOM 1412 CG LEU A 204 28.937 26.432 40.073 1.00 22.82 C +ATOM 1413 CD1 LEU A 204 29.556 25.700 38.886 1.00 22.16 C +ATOM 1414 CD2 LEU A 204 29.721 27.698 40.377 1.00 26.20 C +ATOM 1415 N VAL A 205 24.836 28.706 41.312 1.00 21.05 N +ATOM 1416 CA VAL A 205 23.543 29.368 40.992 1.00 23.31 C +ATOM 1417 C VAL A 205 23.890 30.605 40.167 1.00 23.36 C +ATOM 1418 O VAL A 205 24.588 31.498 40.634 1.00 23.80 O +ATOM 1419 CB VAL A 205 22.852 29.774 42.319 1.00 23.74 C +ATOM 1420 CG1 VAL A 205 21.587 30.577 42.105 1.00 25.24 C +ATOM 1421 CG2 VAL A 205 22.519 28.512 43.136 1.00 22.87 C +ATOM 1422 N GLU A 206 23.399 30.703 38.909 1.00 25.33 N +ATOM 1423 CA GLU A 206 23.753 31.853 38.107 1.00 25.43 C +ATOM 1424 C GLU A 206 23.173 33.142 38.654 1.00 27.23 C +ATOM 1425 O GLU A 206 21.988 33.194 39.030 1.00 28.70 O +ATOM 1426 CB GLU A 206 23.394 31.666 36.609 1.00 26.10 C +ATOM 1427 CG GLU A 206 23.791 32.914 35.796 1.00 26.05 C +ATOM 1428 CD GLU A 206 23.657 32.701 34.287 1.00 32.15 C +ATOM 1429 OE1 GLU A 206 24.071 33.617 33.543 1.00 27.71 O +ATOM 1430 OE2 GLU A 206 23.226 31.618 33.889 1.00 31.94 O +ATOM 1431 N GLY A 207 24.027 34.139 38.794 1.00 26.48 N +ATOM 1432 CA GLY A 207 23.581 35.463 39.261 1.00 29.18 C +ATOM 1433 C GLY A 207 24.032 36.509 38.253 1.00 30.42 C +ATOM 1434 O GLY A 207 24.907 36.249 37.414 1.00 30.04 O +ATOM 1435 N ARG A 208 23.504 37.732 38.338 1.00 29.69 N +ATOM 1436 CA ARG A 208 23.912 38.770 37.411 1.00 28.95 C +ATOM 1437 C ARG A 208 25.373 39.153 37.563 1.00 30.55 C +ATOM 1438 O ARG A 208 25.941 39.158 38.648 1.00 29.74 O +ATOM 1439 CB ARG A 208 23.034 40.024 37.582 1.00 35.51 C +ATOM 1440 CG ARG A 208 21.613 39.830 37.036 1.00 41.33 C +ATOM 1441 CD ARG A 208 20.889 41.191 36.977 1.00 44.71 C +ATOM 1442 NE ARG A 208 19.456 41.003 36.738 1.00 47.27 N +ATOM 1443 CZ ARG A 208 18.630 40.434 37.610 1.00 49.34 C +ATOM 1444 NH1 ARG A 208 17.336 40.275 37.346 1.00 48.46 N +ATOM 1445 NH2 ARG A 208 19.104 40.027 38.787 1.00 44.15 N +ATOM 1446 N ALA A 209 26.008 39.550 36.448 1.00 31.07 N +ATOM 1447 CA ALA A 209 27.415 39.929 36.441 1.00 30.98 C +ATOM 1448 C ALA A 209 27.685 41.335 36.903 1.00 29.95 C +ATOM 1449 O ALA A 209 28.835 41.776 37.074 1.00 30.58 O +ATOM 1450 CB ALA A 209 27.989 39.700 35.022 1.00 37.89 C +ATOM 1451 N ASP A 210 26.659 42.086 37.291 1.00 29.39 N +ATOM 1452 CA ASP A 210 26.888 43.426 37.849 1.00 29.72 C +ATOM 1453 C ASP A 210 27.194 43.292 39.325 1.00 28.89 C +ATOM 1454 O ASP A 210 27.346 44.284 40.055 1.00 26.90 O +ATOM 1455 CB ASP A 210 25.687 44.327 37.570 1.00 34.53 C +ATOM 1456 CG ASP A 210 24.389 43.888 38.167 1.00 37.97 C +ATOM 1457 OD1 ASP A 210 23.373 44.655 38.136 1.00 39.16 O +ATOM 1458 OD2 ASP A 210 24.294 42.772 38.729 1.00 32.11 O +ATOM 1459 N ASN A 211 27.290 42.046 39.810 1.00 26.26 N +ATOM 1460 CA ASN A 211 27.654 41.806 41.233 1.00 25.23 C +ATOM 1461 C ASN A 211 29.172 41.898 41.285 1.00 26.61 C +ATOM 1462 O ASN A 211 29.909 40.931 41.163 1.00 28.27 O +ATOM 1463 CB ASN A 211 27.195 40.411 41.641 1.00 23.70 C +ATOM 1464 CG ASN A 211 27.550 40.041 43.066 1.00 26.94 C +ATOM 1465 OD1 ASN A 211 28.171 40.803 43.815 1.00 27.83 O +ATOM 1466 ND2 ASN A 211 27.136 38.834 43.502 1.00 20.60 N +ATOM 1467 N ILE A 212 29.698 43.145 41.240 1.00 29.42 N +ATOM 1468 CA ILE A 212 31.122 43.325 41.216 1.00 27.79 C +ATOM 1469 C ILE A 212 31.742 43.512 42.580 1.00 28.11 C +ATOM 1470 O ILE A 212 31.087 43.976 43.513 1.00 30.09 O +ATOM 1471 CB ILE A 212 31.521 44.521 40.319 1.00 35.05 C +ATOM 1472 CG1 ILE A 212 30.719 45.763 40.712 1.00 36.49 C +ATOM 1473 CG2 ILE A 212 31.287 44.215 38.837 1.00 31.02 C +ATOM 1474 CD1 ILE A 212 31.178 46.477 41.930 1.00 44.11 C +ATOM 1475 N LYS A 213 33.045 43.255 42.666 1.00 28.06 N +ATOM 1476 CA LYS A 213 33.803 43.448 43.885 1.00 29.10 C +ATOM 1477 C LYS A 213 34.659 44.716 43.731 1.00 33.09 C +ATOM 1478 O LYS A 213 35.475 44.815 42.807 1.00 31.11 O +ATOM 1479 CB LYS A 213 34.724 42.279 44.216 1.00 33.68 C +ATOM 1480 CG LYS A 213 35.359 42.401 45.617 1.00 33.66 C +ATOM 1481 CD LYS A 213 36.089 41.090 45.944 1.00 37.78 C +ATOM 1482 CE LYS A 213 37.142 41.348 47.022 1.00 40.26 C +ATOM 1483 NZ LYS A 213 37.769 40.076 47.478 1.00 40.26 N +ATOM 1484 N VAL A 214 34.394 45.685 44.591 1.00 31.86 N +ATOM 1485 CA VAL A 214 35.134 46.950 44.511 1.00 33.03 C +ATOM 1486 C VAL A 214 36.574 46.756 44.947 1.00 35.65 C +ATOM 1487 O VAL A 214 36.949 46.561 46.097 1.00 33.81 O +ATOM 1488 CB VAL A 214 34.418 48.078 45.216 1.00 30.84 C +ATOM 1489 CG1 VAL A 214 35.200 49.384 45.146 1.00 32.32 C +ATOM 1490 CG2 VAL A 214 33.013 48.253 44.673 1.00 34.54 C +ATOM 1491 N THR A 215 37.407 46.701 43.910 1.00 38.26 N +ATOM 1492 CA THR A 215 38.814 46.492 43.899 1.00 43.54 C +ATOM 1493 C THR A 215 39.197 45.082 44.356 1.00 47.52 C +ATOM 1494 O THR A 215 38.466 44.118 44.011 1.00 47.34 O +ATOM 1495 CB THR A 215 39.628 47.571 44.614 1.00 47.40 C +ATOM 1496 OG1 THR A 215 39.408 48.831 43.915 1.00 46.09 O +ATOM 1497 CG2 THR A 215 41.127 47.291 44.574 1.00 44.25 C +ATOM 1498 N GLU A 218 38.606 52.623 40.139 1.00 52.31 N +ATOM 1499 CA GLU A 218 37.763 52.665 38.947 1.00 53.13 C +ATOM 1500 C GLU A 218 36.437 51.955 39.155 1.00 53.33 C +ATOM 1501 O GLU A 218 35.401 52.316 38.595 1.00 54.96 O +ATOM 1502 CB GLU A 218 38.513 51.992 37.782 1.00 57.02 C +ATOM 1503 N ASP A 219 36.465 50.942 40.020 1.00 51.65 N +ATOM 1504 CA ASP A 219 35.327 50.121 40.367 1.00 47.12 C +ATOM 1505 C ASP A 219 34.165 50.913 40.946 1.00 43.96 C +ATOM 1506 O ASP A 219 32.993 50.538 40.809 1.00 41.69 O +ATOM 1507 CB ASP A 219 35.770 49.054 41.386 1.00 47.11 C +ATOM 1508 CG ASP A 219 36.572 47.930 40.779 1.00 49.73 C +ATOM 1509 OD1 ASP A 219 36.255 47.509 39.646 1.00 50.86 O +ATOM 1510 OD2 ASP A 219 37.517 47.431 41.433 1.00 49.72 O +ATOM 1511 N LEU A 220 34.503 51.998 41.636 1.00 42.28 N +ATOM 1512 CA LEU A 220 33.523 52.841 42.290 1.00 40.40 C +ATOM 1513 C LEU A 220 32.505 53.372 41.315 1.00 38.35 C +ATOM 1514 O LEU A 220 31.293 53.218 41.479 1.00 36.77 O +ATOM 1515 CB LEU A 220 34.241 53.981 43.045 1.00 42.80 C +ATOM 1516 CG LEU A 220 33.596 54.381 44.373 1.00 46.55 C +ATOM 1517 CD1 LEU A 220 33.476 53.172 45.304 1.00 44.77 C +ATOM 1518 CD2 LEU A 220 34.408 55.485 45.046 1.00 47.81 C +ATOM 1519 N ALA A 221 33.031 54.002 40.246 1.00 36.63 N +ATOM 1520 CA ALA A 221 32.159 54.563 39.231 1.00 37.42 C +ATOM 1521 C ALA A 221 31.257 53.494 38.630 1.00 34.11 C +ATOM 1522 O ALA A 221 30.052 53.734 38.491 1.00 35.97 O +ATOM 1523 CB ALA A 221 32.980 55.289 38.160 1.00 33.74 C +ATOM 1524 N LEU A 222 31.784 52.314 38.335 1.00 35.04 N +ATOM 1525 CA LEU A 222 30.940 51.254 37.759 1.00 35.05 C +ATOM 1526 C LEU A 222 29.901 50.757 38.753 1.00 32.03 C +ATOM 1527 O LEU A 222 28.718 50.580 38.454 1.00 31.31 O +ATOM 1528 CB LEU A 222 31.802 50.104 37.237 1.00 37.29 C +ATOM 1529 CG LEU A 222 31.029 48.879 36.734 1.00 39.10 C +ATOM 1530 CD1 LEU A 222 29.971 49.273 35.718 1.00 38.16 C +ATOM 1531 CD2 LEU A 222 32.014 47.865 36.129 1.00 41.06 C +ATOM 1532 N ALA A 223 30.338 50.547 39.997 1.00 33.56 N +ATOM 1533 CA ALA A 223 29.388 50.133 41.036 1.00 32.69 C +ATOM 1534 C ALA A 223 28.292 51.179 41.184 1.00 32.50 C +ATOM 1535 O ALA A 223 27.121 50.840 41.327 1.00 31.23 O +ATOM 1536 CB ALA A 223 30.128 49.924 42.351 1.00 30.49 C +ATOM 1537 N GLU A 224 28.649 52.478 41.114 1.00 34.07 N +ATOM 1538 CA GLU A 224 27.580 53.485 41.227 1.00 36.33 C +ATOM 1539 C GLU A 224 26.591 53.374 40.086 1.00 37.67 C +ATOM 1540 O GLU A 224 25.383 53.492 40.299 1.00 38.29 O +ATOM 1541 CB GLU A 224 28.152 54.899 41.273 1.00 40.88 C +ATOM 1542 CG GLU A 224 27.090 55.943 41.637 1.00 44.92 C +ATOM 1543 CD GLU A 224 27.718 57.310 41.834 1.00 53.70 C +ATOM 1544 OE1 GLU A 224 28.538 57.681 40.959 1.00 58.18 O +ATOM 1545 OE2 GLU A 224 27.395 57.982 42.830 1.00 55.96 O +ATOM 1546 N PHE A 225 27.103 53.191 38.850 1.00 37.41 N +ATOM 1547 CA PHE A 225 26.191 53.055 37.697 1.00 35.78 C +ATOM 1548 C PHE A 225 25.226 51.913 37.953 1.00 38.10 C +ATOM 1549 O PHE A 225 24.002 52.002 37.857 1.00 36.99 O +ATOM 1550 CB PHE A 225 27.026 52.819 36.424 1.00 37.20 C +ATOM 1551 CG PHE A 225 26.258 52.274 35.251 1.00 37.63 C +ATOM 1552 CD1 PHE A 225 25.377 53.086 34.551 1.00 36.60 C +ATOM 1553 CD2 PHE A 225 26.417 50.965 34.831 1.00 32.47 C +ATOM 1554 CE1 PHE A 225 24.665 52.607 33.469 1.00 35.55 C +ATOM 1555 CE2 PHE A 225 25.707 50.480 33.749 1.00 39.09 C +ATOM 1556 CZ PHE A 225 24.817 51.294 33.067 1.00 37.69 C +ATOM 1557 N TYR A 226 25.781 50.761 38.368 1.00 37.98 N +ATOM 1558 CA TYR A 226 24.952 49.597 38.648 1.00 40.52 C +ATOM 1559 C TYR A 226 23.929 49.856 39.755 1.00 41.15 C +ATOM 1560 O TYR A 226 22.838 49.288 39.686 1.00 44.22 O +ATOM 1561 CB TYR A 226 25.818 48.423 39.077 1.00 38.46 C +ATOM 1562 CG TYR A 226 26.574 47.751 37.963 1.00 36.65 C +ATOM 1563 CD1 TYR A 226 27.810 47.176 38.196 1.00 35.46 C +ATOM 1564 CD2 TYR A 226 26.011 47.671 36.681 1.00 36.41 C +ATOM 1565 CE1 TYR A 226 28.491 46.532 37.174 1.00 34.83 C +ATOM 1566 CE2 TYR A 226 26.694 47.046 35.662 1.00 34.50 C +ATOM 1567 CZ TYR A 226 27.917 46.481 35.917 1.00 33.10 C +ATOM 1568 OH TYR A 226 28.594 45.838 34.917 1.00 38.68 O +ATOM 1569 N LEU A 227 24.322 50.615 40.750 1.00 43.45 N +ATOM 1570 CA LEU A 227 23.432 50.962 41.856 1.00 47.03 C +ATOM 1571 C LEU A 227 22.465 52.082 41.435 1.00 50.11 C +ATOM 1572 O LEU A 227 21.246 51.863 41.473 1.00 52.97 O +ATOM 1573 CB LEU A 227 24.248 51.447 43.057 1.00 43.37 C +ATOM 1574 CG LEU A 227 24.934 50.345 43.867 1.00 41.56 C +ATOM 1575 CD1 LEU A 227 25.877 50.932 44.904 1.00 45.74 C +ATOM 1576 CD2 LEU A 227 23.880 49.452 44.521 1.00 41.44 C +TER 1577 LEU A 227 +ATOM 1578 N LEU B 6 53.266 49.350 5.788 1.00 34.65 N +ATOM 1579 CA LEU B 6 52.740 49.545 7.151 1.00 36.47 C +ATOM 1580 C LEU B 6 51.220 49.391 7.169 1.00 35.22 C +ATOM 1581 O LEU B 6 50.587 49.422 8.237 1.00 31.61 O +ATOM 1582 CB LEU B 6 53.106 50.946 7.609 1.00 43.10 C +ATOM 1583 CG LEU B 6 53.816 51.131 8.932 1.00 46.53 C +ATOM 1584 CD1 LEU B 6 54.917 50.105 9.152 1.00 45.98 C +ATOM 1585 CD2 LEU B 6 54.399 52.540 9.007 1.00 48.39 C +ATOM 1586 N ASP B 7 50.636 49.300 5.985 1.00 32.75 N +ATOM 1587 CA ASP B 7 49.203 49.161 5.840 1.00 33.58 C +ATOM 1588 C ASP B 7 48.706 47.897 6.576 1.00 29.96 C +ATOM 1589 O ASP B 7 49.301 46.850 6.432 1.00 32.90 O +ATOM 1590 CB ASP B 7 48.735 48.989 4.403 1.00 35.47 C +ATOM 1591 CG ASP B 7 48.942 50.180 3.502 1.00 41.16 C +ATOM 1592 OD1 ASP B 7 49.412 51.219 3.983 1.00 39.68 O +ATOM 1593 OD2 ASP B 7 48.613 50.032 2.295 1.00 41.21 O +ATOM 1594 N VAL B 8 47.574 48.070 7.217 1.00 26.70 N +ATOM 1595 CA VAL B 8 46.904 46.964 7.929 1.00 23.54 C +ATOM 1596 C VAL B 8 45.450 46.967 7.442 1.00 21.15 C +ATOM 1597 O VAL B 8 44.889 47.990 7.089 1.00 22.45 O +ATOM 1598 CB VAL B 8 46.928 47.210 9.456 1.00 24.17 C +ATOM 1599 CG1 VAL B 8 45.927 46.326 10.199 1.00 26.06 C +ATOM 1600 CG2 VAL B 8 48.346 46.955 9.992 1.00 29.09 C +ATOM 1601 N CYS B 9 44.919 45.757 7.266 1.00 20.85 N +ATOM 1602 CA CYS B 9 43.519 45.622 6.885 1.00 19.98 C +ATOM 1603 C CYS B 9 42.842 44.895 8.082 1.00 20.20 C +ATOM 1604 O CYS B 9 43.473 43.967 8.580 1.00 20.94 O +ATOM 1605 CB CYS B 9 43.379 44.690 5.677 1.00 21.42 C +ATOM 1606 SG CYS B 9 41.676 44.576 5.078 1.00 23.54 S +ATOM 1607 N ALA B 10 41.674 45.359 8.453 1.00 19.39 N +ATOM 1608 CA ALA B 10 40.958 44.662 9.547 1.00 17.39 C +ATOM 1609 C ALA B 10 39.814 43.854 8.871 1.00 17.39 C +ATOM 1610 O ALA B 10 39.320 44.201 7.820 1.00 18.81 O +ATOM 1611 CB ALA B 10 40.334 45.659 10.494 1.00 18.88 C +ATOM 1612 N VAL B 11 39.458 42.778 9.564 1.00 16.46 N +ATOM 1613 CA VAL B 11 38.380 41.916 9.108 1.00 17.83 C +ATOM 1614 C VAL B 11 37.408 41.788 10.319 1.00 17.32 C +ATOM 1615 O VAL B 11 37.858 41.422 11.408 1.00 19.28 O +ATOM 1616 CB VAL B 11 38.858 40.538 8.731 1.00 16.86 C +ATOM 1617 CG1 VAL B 11 37.720 39.559 8.410 1.00 18.83 C +ATOM 1618 CG2 VAL B 11 39.830 40.589 7.521 1.00 18.79 C +ATOM 1619 N VAL B 12 36.157 42.055 10.048 1.00 16.90 N +ATOM 1620 CA VAL B 12 35.144 41.904 11.117 1.00 18.89 C +ATOM 1621 C VAL B 12 34.155 40.829 10.674 1.00 22.42 C +ATOM 1622 O VAL B 12 33.369 41.088 9.757 1.00 23.34 O +ATOM 1623 CB VAL B 12 34.390 43.230 11.311 1.00 20.44 C +ATOM 1624 CG1 VAL B 12 33.257 43.014 12.350 1.00 21.90 C +ATOM 1625 CG2 VAL B 12 35.359 44.313 11.806 1.00 20.65 C +ATOM 1626 N PRO B 13 34.189 39.638 11.263 1.00 23.03 N +ATOM 1627 CA PRO B 13 33.236 38.579 10.910 1.00 24.23 C +ATOM 1628 C PRO B 13 31.881 39.050 11.464 1.00 27.74 C +ATOM 1629 O PRO B 13 31.787 39.487 12.623 1.00 30.42 O +ATOM 1630 CB PRO B 13 33.753 37.365 11.628 1.00 27.86 C +ATOM 1631 CG PRO B 13 35.093 37.704 12.167 1.00 25.46 C +ATOM 1632 CD PRO B 13 35.127 39.222 12.315 1.00 22.48 C +ATOM 1633 N ALA B 14 30.877 39.159 10.615 1.00 26.38 N +ATOM 1634 CA ALA B 14 29.571 39.682 11.021 1.00 28.36 C +ATOM 1635 C ALA B 14 28.419 38.841 10.490 1.00 30.70 C +ATOM 1636 O ALA B 14 27.418 39.345 9.988 1.00 30.06 O +ATOM 1637 CB ALA B 14 29.459 41.131 10.516 1.00 29.56 C +ATOM 1638 N ALA B 15 28.627 37.526 10.458 1.00 28.78 N +ATOM 1639 CA ALA B 15 27.606 36.602 9.970 1.00 33.45 C +ATOM 1640 C ALA B 15 26.401 36.548 10.895 1.00 33.01 C +ATOM 1641 O ALA B 15 26.450 37.035 12.019 1.00 34.81 O +ATOM 1642 CB ALA B 15 28.195 35.182 9.905 1.00 33.81 C +ATOM 1643 N GLY B 16 25.317 35.896 10.437 1.00 35.85 N +ATOM 1644 CA GLY B 16 24.164 35.742 11.305 1.00 35.80 C +ATOM 1645 C GLY B 16 22.880 36.341 10.863 1.00 39.68 C +ATOM 1646 O GLY B 16 21.799 36.009 11.415 1.00 39.03 O +ATOM 1647 N PHE B 17 22.880 37.268 9.913 1.00 40.20 N +ATOM 1648 CA PHE B 17 21.638 37.910 9.503 1.00 42.13 C +ATOM 1649 C PHE B 17 21.220 37.606 8.092 1.00 42.92 C +ATOM 1650 O PHE B 17 20.513 38.419 7.473 1.00 42.94 O +ATOM 1651 CB PHE B 17 21.737 39.425 9.738 1.00 43.99 C +ATOM 1652 CG PHE B 17 21.490 39.776 11.185 1.00 47.48 C +ATOM 1653 CD1 PHE B 17 22.517 39.665 12.107 1.00 49.75 C +ATOM 1654 CD2 PHE B 17 20.251 40.210 11.603 1.00 49.16 C +ATOM 1655 CE1 PHE B 17 22.306 39.968 13.433 1.00 49.87 C +ATOM 1656 CE2 PHE B 17 20.035 40.544 12.936 1.00 52.04 C +ATOM 1657 CZ PHE B 17 21.061 40.412 13.843 1.00 51.89 C +ATOM 1658 N GLY B 18 21.570 36.440 7.580 1.00 42.78 N +ATOM 1659 CA GLY B 18 21.178 36.067 6.214 1.00 44.54 C +ATOM 1660 C GLY B 18 20.113 34.960 6.283 1.00 45.01 C +ATOM 1661 O GLY B 18 19.445 34.884 7.331 1.00 43.79 O +ATOM 1662 N PRO B 26 23.109 37.243 17.040 1.00 42.66 N +ATOM 1663 CA PRO B 26 24.209 38.196 17.243 1.00 41.94 C +ATOM 1664 C PRO B 26 23.636 39.573 17.518 1.00 40.44 C +ATOM 1665 O PRO B 26 22.576 39.936 17.000 1.00 39.74 O +ATOM 1666 CB PRO B 26 25.023 38.140 15.970 1.00 42.32 C +ATOM 1667 CG PRO B 26 24.646 36.856 15.315 1.00 42.41 C +ATOM 1668 CD PRO B 26 23.182 36.661 15.670 1.00 42.80 C +ATOM 1669 N LYS B 27 24.330 40.323 18.374 1.00 37.83 N +ATOM 1670 CA LYS B 27 23.822 41.635 18.783 1.00 36.03 C +ATOM 1671 C LYS B 27 24.547 42.795 18.156 1.00 34.79 C +ATOM 1672 O LYS B 27 24.419 43.922 18.644 1.00 35.28 O +ATOM 1673 CB LYS B 27 23.993 41.693 20.332 1.00 40.46 C +ATOM 1674 CG LYS B 27 23.415 40.432 21.009 1.00 36.35 C +ATOM 1675 N GLN B 28 25.157 42.600 16.979 1.00 32.30 N +ATOM 1676 CA GLN B 28 25.886 43.674 16.321 1.00 32.03 C +ATOM 1677 C GLN B 28 25.015 44.804 15.837 1.00 31.17 C +ATOM 1678 O GLN B 28 25.487 45.906 15.564 1.00 30.19 O +ATOM 1679 CB GLN B 28 26.712 43.131 15.126 1.00 30.95 C +ATOM 1680 CG GLN B 28 25.837 42.653 13.968 1.00 36.94 C +ATOM 1681 CD GLN B 28 26.438 41.523 13.168 1.00 42.25 C +ATOM 1682 OE1 GLN B 28 27.080 40.623 13.693 1.00 43.75 O +ATOM 1683 NE2 GLN B 28 26.254 41.554 11.838 1.00 44.18 N +ATOM 1684 N TYR B 29 23.714 44.533 15.623 1.00 30.47 N +ATOM 1685 CA TYR B 29 22.833 45.549 15.116 1.00 32.83 C +ATOM 1686 C TYR B 29 22.042 46.282 16.197 1.00 33.41 C +ATOM 1687 O TYR B 29 21.137 47.037 15.790 1.00 34.90 O +ATOM 1688 CB TYR B 29 21.934 45.034 13.994 1.00 32.93 C +ATOM 1689 CG TYR B 29 22.703 44.660 12.743 1.00 31.19 C +ATOM 1690 CD1 TYR B 29 22.659 43.382 12.223 1.00 34.21 C +ATOM 1691 CD2 TYR B 29 23.519 45.600 12.101 1.00 32.52 C +ATOM 1692 CE1 TYR B 29 23.356 43.034 11.062 1.00 32.61 C +ATOM 1693 CE2 TYR B 29 24.221 45.252 10.971 1.00 34.30 C +ATOM 1694 CZ TYR B 29 24.123 43.992 10.444 1.00 34.84 C +ATOM 1695 OH TYR B 29 24.840 43.664 9.308 1.00 37.45 O +ATOM 1696 N LEU B 30 22.316 46.004 17.438 1.00 34.38 N +ATOM 1697 CA LEU B 30 21.753 46.745 18.583 1.00 35.93 C +ATOM 1698 C LEU B 30 22.422 48.134 18.556 1.00 36.79 C +ATOM 1699 O LEU B 30 23.527 48.246 18.007 1.00 33.98 O +ATOM 1700 CB LEU B 30 22.168 46.052 19.887 1.00 38.48 C +ATOM 1701 CG LEU B 30 21.258 44.968 20.440 1.00 40.55 C +ATOM 1702 CD1 LEU B 30 21.922 44.154 21.536 1.00 40.62 C +ATOM 1703 CD2 LEU B 30 19.976 45.609 20.989 1.00 44.78 C +ATOM 1704 N SER B 31 21.775 49.188 19.019 1.00 37.28 N +ATOM 1705 CA SER B 31 22.363 50.516 18.992 1.00 35.72 C +ATOM 1706 C SER B 31 22.797 51.006 20.377 1.00 34.63 C +ATOM 1707 O SER B 31 22.351 50.497 21.413 1.00 35.91 O +ATOM 1708 CB SER B 31 21.391 51.529 18.382 1.00 33.54 C +ATOM 1709 OG SER B 31 21.317 51.459 16.976 1.00 37.48 O +ATOM 1710 N ILE B 32 23.803 51.844 20.409 1.00 32.30 N +ATOM 1711 CA ILE B 32 24.343 52.544 21.547 1.00 30.11 C +ATOM 1712 C ILE B 32 24.440 54.018 21.053 1.00 30.50 C +ATOM 1713 O ILE B 32 25.189 54.320 20.125 1.00 25.21 O +ATOM 1714 CB ILE B 32 25.668 52.129 22.130 1.00 27.87 C +ATOM 1715 CG1 ILE B 32 25.611 50.723 22.762 1.00 32.71 C +ATOM 1716 CG2 ILE B 32 26.163 53.127 23.178 1.00 29.02 C +ATOM 1717 CD1 ILE B 32 27.021 50.157 22.948 1.00 32.54 C +ATOM 1718 N GLY B 33 23.584 54.848 21.625 1.00 29.45 N +ATOM 1719 CA GLY B 33 23.583 56.265 21.166 1.00 31.78 C +ATOM 1720 C GLY B 33 22.931 56.280 19.767 1.00 33.50 C +ATOM 1721 O GLY B 33 21.928 55.585 19.586 1.00 36.28 O +ATOM 1722 N ASN B 34 23.572 56.903 18.826 1.00 32.70 N +ATOM 1723 CA ASN B 34 23.191 57.074 17.461 1.00 36.43 C +ATOM 1724 C ASN B 34 23.789 56.062 16.474 1.00 32.99 C +ATOM 1725 O ASN B 34 23.590 56.248 15.265 1.00 32.77 O +ATOM 1726 CB ASN B 34 23.594 58.492 16.964 1.00 37.42 C +ATOM 1727 CG ASN B 34 25.048 58.717 16.741 1.00 42.78 C +ATOM 1728 OD1 ASN B 34 25.941 57.884 16.925 1.00 47.46 O +ATOM 1729 ND2 ASN B 34 25.434 59.928 16.282 1.00 45.13 N +ATOM 1730 N GLN B 35 24.577 55.121 16.940 1.00 30.70 N +ATOM 1731 CA GLN B 35 25.184 54.117 16.037 1.00 32.90 C +ATOM 1732 C GLN B 35 24.917 52.701 16.476 1.00 28.20 C +ATOM 1733 O GLN B 35 24.781 52.472 17.675 1.00 30.55 O +ATOM 1734 CB GLN B 35 26.748 54.298 16.183 1.00 28.78 C +ATOM 1735 CG GLN B 35 27.241 55.487 15.361 1.00 35.93 C +ATOM 1736 CD GLN B 35 28.755 55.635 15.554 1.00 37.59 C +ATOM 1737 OE1 GLN B 35 29.272 56.737 15.520 1.00 47.01 O +ATOM 1738 NE2 GLN B 35 29.427 54.524 15.786 1.00 36.61 N +ATOM 1739 N THR B 36 25.004 51.726 15.555 1.00 26.33 N +ATOM 1740 CA THR B 36 24.871 50.331 15.961 1.00 26.08 C +ATOM 1741 C THR B 36 26.212 49.903 16.623 1.00 23.49 C +ATOM 1742 O THR B 36 27.222 50.555 16.353 1.00 23.56 O +ATOM 1743 CB THR B 36 24.660 49.374 14.781 1.00 30.73 C +ATOM 1744 OG1 THR B 36 25.800 49.484 13.885 1.00 30.54 O +ATOM 1745 CG2 THR B 36 23.389 49.747 14.018 1.00 29.21 C +ATOM 1746 N ILE B 37 26.193 48.818 17.328 1.00 22.33 N +ATOM 1747 CA ILE B 37 27.408 48.286 17.976 1.00 24.46 C +ATOM 1748 C ILE B 37 28.461 47.987 16.926 1.00 21.85 C +ATOM 1749 O ILE B 37 29.644 48.293 17.094 1.00 21.85 O +ATOM 1750 CB ILE B 37 27.056 46.996 18.752 1.00 27.68 C +ATOM 1751 CG1 ILE B 37 26.370 47.447 20.078 1.00 29.53 C +ATOM 1752 CG2 ILE B 37 28.256 46.144 19.055 1.00 25.35 C +ATOM 1753 CD1 ILE B 37 25.711 46.239 20.756 1.00 33.23 C +ATOM 1754 N LEU B 38 27.987 47.424 15.796 1.00 22.66 N +ATOM 1755 CA LEU B 38 28.972 47.132 14.721 1.00 20.81 C +ATOM 1756 C LEU B 38 29.604 48.420 14.262 1.00 22.58 C +ATOM 1757 O LEU B 38 30.825 48.471 14.020 1.00 21.07 O +ATOM 1758 CB LEU B 38 28.271 46.406 13.575 1.00 23.78 C +ATOM 1759 CG LEU B 38 29.064 46.247 12.275 1.00 26.94 C +ATOM 1760 CD1 LEU B 38 30.208 45.273 12.476 1.00 25.40 C +ATOM 1761 CD2 LEU B 38 28.127 45.726 11.168 1.00 27.31 C +ATOM 1762 N GLU B 39 28.862 49.529 14.131 1.00 20.86 N +ATOM 1763 CA GLU B 39 29.499 50.788 13.718 1.00 21.35 C +ATOM 1764 C GLU B 39 30.470 51.310 14.757 1.00 21.45 C +ATOM 1765 O GLU B 39 31.549 51.813 14.393 1.00 22.51 O +ATOM 1766 CB GLU B 39 28.393 51.837 13.442 1.00 23.81 C +ATOM 1767 CG GLU B 39 27.649 51.373 12.151 1.00 25.25 C +ATOM 1768 CD GLU B 39 26.450 52.324 11.899 1.00 26.70 C +ATOM 1769 OE1 GLU B 39 26.618 53.153 11.020 1.00 31.50 O +ATOM 1770 OE2 GLU B 39 25.445 52.148 12.599 1.00 26.34 O +ATOM 1771 N HIS B 40 30.140 51.172 16.039 1.00 18.33 N +ATOM 1772 CA HIS B 40 31.096 51.619 17.071 1.00 19.74 C +ATOM 1773 C HIS B 40 32.391 50.775 16.960 1.00 21.29 C +ATOM 1774 O HIS B 40 33.502 51.316 17.063 1.00 20.72 O +ATOM 1775 CB HIS B 40 30.509 51.432 18.467 1.00 19.27 C +ATOM 1776 CG HIS B 40 29.468 52.469 18.851 1.00 22.68 C +ATOM 1777 ND1 HIS B 40 29.802 53.728 19.262 1.00 26.80 N +ATOM 1778 CD2 HIS B 40 28.134 52.360 18.958 1.00 22.57 C +ATOM 1779 CE1 HIS B 40 28.690 54.380 19.621 1.00 26.28 C +ATOM 1780 NE2 HIS B 40 27.676 53.568 19.453 1.00 24.27 N +ATOM 1781 N SER B 41 32.235 49.478 16.746 1.00 20.83 N +ATOM 1782 CA SER B 41 33.378 48.573 16.651 1.00 21.25 C +ATOM 1783 C SER B 41 34.229 48.929 15.448 1.00 21.11 C +ATOM 1784 O SER B 41 35.451 49.002 15.565 1.00 21.51 O +ATOM 1785 CB SER B 41 32.976 47.103 16.564 1.00 19.97 C +ATOM 1786 OG SER B 41 32.165 46.744 17.652 1.00 23.99 O +ATOM 1787 N VAL B 42 33.581 49.268 14.316 1.00 19.83 N +ATOM 1788 CA VAL B 42 34.397 49.587 13.128 1.00 21.49 C +ATOM 1789 C VAL B 42 35.083 50.918 13.254 1.00 23.39 C +ATOM 1790 O VAL B 42 36.278 51.068 12.875 1.00 21.62 O +ATOM 1791 CB VAL B 42 33.526 49.504 11.860 1.00 26.36 C +ATOM 1792 CG1 VAL B 42 34.220 50.038 10.624 1.00 25.27 C +ATOM 1793 CG2 VAL B 42 33.099 48.041 11.644 1.00 24.57 C +ATOM 1794 N HIS B 43 34.412 51.926 13.820 1.00 21.55 N +ATOM 1795 CA HIS B 43 35.061 53.232 13.967 1.00 23.98 C +ATOM 1796 C HIS B 43 36.214 53.102 14.970 1.00 20.94 C +ATOM 1797 O HIS B 43 37.186 53.833 14.808 1.00 22.32 O +ATOM 1798 CB HIS B 43 34.119 54.336 14.410 1.00 26.56 C +ATOM 1799 CG HIS B 43 33.215 54.797 13.279 1.00 30.42 C +ATOM 1800 ND1 HIS B 43 33.685 55.384 12.120 1.00 29.69 N +ATOM 1801 CD2 HIS B 43 31.871 54.711 13.168 1.00 31.88 C +ATOM 1802 CE1 HIS B 43 32.643 55.613 11.321 1.00 30.27 C +ATOM 1803 NE2 HIS B 43 31.535 55.236 11.937 1.00 28.58 N +ATOM 1804 N ALA B 44 36.122 52.205 15.934 1.00 21.33 N +ATOM 1805 CA ALA B 44 37.248 52.014 16.883 1.00 19.16 C +ATOM 1806 C ALA B 44 38.486 51.498 16.145 1.00 21.05 C +ATOM 1807 O ALA B 44 39.611 51.942 16.458 1.00 20.29 O +ATOM 1808 CB ALA B 44 36.847 51.027 17.978 1.00 18.65 C +ATOM 1809 N LEU B 45 38.296 50.656 15.121 1.00 18.67 N +ATOM 1810 CA LEU B 45 39.406 50.156 14.321 1.00 18.70 C +ATOM 1811 C LEU B 45 39.988 51.264 13.430 1.00 20.43 C +ATOM 1812 O LEU B 45 41.200 51.272 13.173 1.00 22.88 O +ATOM 1813 CB LEU B 45 38.941 49.001 13.390 1.00 18.84 C +ATOM 1814 CG LEU B 45 38.463 47.740 14.171 1.00 20.67 C +ATOM 1815 CD1 LEU B 45 37.632 46.849 13.246 1.00 21.06 C +ATOM 1816 CD2 LEU B 45 39.630 46.985 14.747 1.00 21.13 C +ATOM 1817 N LEU B 46 39.144 52.132 12.898 1.00 19.84 N +ATOM 1818 CA LEU B 46 39.601 53.214 12.028 1.00 21.39 C +ATOM 1819 C LEU B 46 40.319 54.348 12.766 1.00 18.37 C +ATOM 1820 O LEU B 46 40.899 55.229 12.110 1.00 22.07 O +ATOM 1821 CB LEU B 46 38.390 53.800 11.278 1.00 20.68 C +ATOM 1822 CG LEU B 46 37.793 52.883 10.210 1.00 24.05 C +ATOM 1823 CD1 LEU B 46 36.496 53.443 9.677 1.00 28.76 C +ATOM 1824 CD2 LEU B 46 38.811 52.616 9.119 1.00 24.56 C +ATOM 1825 N ALA B 47 40.377 54.349 14.091 1.00 22.34 N +ATOM 1826 CA ALA B 47 41.103 55.389 14.815 1.00 20.00 C +ATOM 1827 C ALA B 47 42.607 55.376 14.514 1.00 20.88 C +ATOM 1828 O ALA B 47 43.228 56.443 14.691 1.00 23.22 O +ATOM 1829 CB ALA B 47 40.939 55.250 16.316 1.00 20.85 C +ATOM 1830 N HIS B 48 43.204 54.252 14.253 1.00 19.42 N +ATOM 1831 CA HIS B 48 44.628 54.161 13.956 1.00 20.87 C +ATOM 1832 C HIS B 48 44.879 54.363 12.469 1.00 21.95 C +ATOM 1833 O HIS B 48 44.382 53.593 11.628 1.00 22.87 O +ATOM 1834 CB HIS B 48 45.204 52.825 14.394 1.00 23.62 C +ATOM 1835 CG HIS B 48 46.698 52.826 14.554 1.00 22.62 C +ATOM 1836 ND1 HIS B 48 47.597 52.975 13.518 1.00 25.72 N +ATOM 1837 CD2 HIS B 48 47.447 52.733 15.683 1.00 25.64 C +ATOM 1838 CE1 HIS B 48 48.820 52.956 13.978 1.00 23.84 C +ATOM 1839 NE2 HIS B 48 48.764 52.783 15.313 1.00 23.56 N +ATOM 1840 N PRO B 49 45.764 55.298 12.120 1.00 22.01 N +ATOM 1841 CA PRO B 49 46.048 55.574 10.715 1.00 23.77 C +ATOM 1842 C PRO B 49 46.649 54.468 9.929 1.00 24.95 C +ATOM 1843 O PRO B 49 46.473 54.458 8.669 1.00 23.89 O +ATOM 1844 CB PRO B 49 46.928 56.840 10.771 1.00 26.77 C +ATOM 1845 CG PRO B 49 47.528 56.812 12.115 1.00 26.50 C +ATOM 1846 CD PRO B 49 46.476 56.202 13.040 1.00 23.79 C +ATOM 1847 N ARG B 50 47.201 53.405 10.516 1.00 24.13 N +ATOM 1848 CA ARG B 50 47.728 52.282 9.766 1.00 23.23 C +ATOM 1849 C ARG B 50 46.594 51.417 9.204 1.00 23.17 C +ATOM 1850 O ARG B 50 46.859 50.653 8.281 1.00 23.13 O +ATOM 1851 CB ARG B 50 48.638 51.346 10.561 1.00 24.15 C +ATOM 1852 CG ARG B 50 50.044 51.886 10.738 1.00 29.30 C +ATOM 1853 CD ARG B 50 50.913 50.975 11.555 1.00 28.77 C +ATOM 1854 NE ARG B 50 51.073 49.639 10.993 1.00 29.11 N +ATOM 1855 CZ ARG B 50 51.549 48.605 11.661 1.00 27.83 C +ATOM 1856 NH1 ARG B 50 51.931 48.715 12.938 1.00 27.92 N +ATOM 1857 NH2 ARG B 50 51.652 47.428 11.046 1.00 30.32 N +ATOM 1858 N VAL B 51 45.428 51.484 9.848 1.00 23.93 N +ATOM 1859 CA VAL B 51 44.301 50.651 9.351 1.00 20.52 C +ATOM 1860 C VAL B 51 43.746 51.347 8.127 1.00 21.26 C +ATOM 1861 O VAL B 51 43.135 52.419 8.184 1.00 22.63 O +ATOM 1862 CB VAL B 51 43.216 50.539 10.451 1.00 19.37 C +ATOM 1863 CG1 VAL B 51 42.055 49.707 9.903 1.00 21.69 C +ATOM 1864 CG2 VAL B 51 43.833 49.883 11.677 1.00 17.12 C +ATOM 1865 N LYS B 52 43.974 50.727 6.977 1.00 22.49 N +ATOM 1866 CA LYS B 52 43.539 51.385 5.726 1.00 23.73 C +ATOM 1867 C LYS B 52 42.180 50.928 5.265 1.00 24.46 C +ATOM 1868 O LYS B 52 41.606 51.528 4.334 1.00 21.72 O +ATOM 1869 CB LYS B 52 44.563 50.921 4.643 1.00 28.42 C +ATOM 1870 CG LYS B 52 45.979 51.289 4.947 1.00 34.28 C +ATOM 1871 CD LYS B 52 46.212 52.707 5.397 1.00 39.18 C +ATOM 1872 CE LYS B 52 47.732 52.975 5.437 1.00 39.58 C +ATOM 1873 NZ LYS B 52 48.030 54.223 6.193 1.00 45.12 N +ATOM 1874 N ARG B 53 41.779 49.746 5.739 1.00 21.15 N +ATOM 1875 CA ARG B 53 40.493 49.221 5.234 1.00 21.80 C +ATOM 1876 C ARG B 53 39.859 48.288 6.264 1.00 19.79 C +ATOM 1877 O ARG B 53 40.582 47.734 7.091 1.00 21.07 O +ATOM 1878 CB ARG B 53 40.873 48.408 3.967 1.00 25.17 C +ATOM 1879 CG ARG B 53 40.037 47.212 3.659 1.00 35.79 C +ATOM 1880 CD ARG B 53 39.867 47.037 2.136 1.00 41.49 C +ATOM 1881 NE ARG B 53 38.736 47.875 1.764 1.00 45.37 N +ATOM 1882 CZ ARG B 53 38.804 49.124 1.286 1.00 36.97 C +ATOM 1883 NH1 ARG B 53 39.966 49.680 1.109 1.00 42.60 N +ATOM 1884 NH2 ARG B 53 37.640 49.740 1.102 1.00 24.65 N +ATOM 1885 N VAL B 54 38.544 48.272 6.296 1.00 19.50 N +ATOM 1886 CA VAL B 54 37.836 47.315 7.175 1.00 18.26 C +ATOM 1887 C VAL B 54 36.912 46.476 6.271 1.00 18.56 C +ATOM 1888 O VAL B 54 36.034 47.010 5.581 1.00 21.75 O +ATOM 1889 CB VAL B 54 37.068 47.954 8.322 1.00 18.59 C +ATOM 1890 CG1 VAL B 54 36.502 46.847 9.217 1.00 19.91 C +ATOM 1891 CG2 VAL B 54 37.954 48.856 9.174 1.00 19.45 C +ATOM 1892 N VAL B 55 37.158 45.182 6.252 1.00 20.17 N +ATOM 1893 CA VAL B 55 36.389 44.235 5.457 1.00 17.21 C +ATOM 1894 C VAL B 55 35.354 43.606 6.401 1.00 21.05 C +ATOM 1895 O VAL B 55 35.759 42.980 7.389 1.00 20.41 O +ATOM 1896 CB VAL B 55 37.274 43.169 4.845 1.00 18.27 C +ATOM 1897 CG1 VAL B 55 36.393 42.213 3.978 1.00 21.12 C +ATOM 1898 CG2 VAL B 55 38.306 43.763 3.886 1.00 18.88 C +ATOM 1899 N ILE B 56 34.084 43.772 6.102 1.00 19.52 N +ATOM 1900 CA ILE B 56 33.027 43.201 6.935 1.00 19.01 C +ATOM 1901 C ILE B 56 32.447 41.975 6.202 1.00 20.58 C +ATOM 1902 O ILE B 56 32.038 42.109 5.065 1.00 20.38 O +ATOM 1903 CB ILE B 56 31.888 44.238 7.114 1.00 23.17 C +ATOM 1904 CG1 ILE B 56 32.432 45.587 7.577 1.00 28.26 C +ATOM 1905 CG2 ILE B 56 30.849 43.693 8.084 1.00 22.69 C +ATOM 1906 CD1 ILE B 56 32.887 45.670 8.971 1.00 33.18 C +ATOM 1907 N ALA B 57 32.514 40.812 6.842 1.00 19.98 N +ATOM 1908 CA ALA B 57 32.018 39.594 6.173 1.00 20.55 C +ATOM 1909 C ALA B 57 30.625 39.304 6.687 1.00 22.79 C +ATOM 1910 O ALA B 57 30.462 38.992 7.863 1.00 22.87 O +ATOM 1911 CB ALA B 57 33.014 38.464 6.375 1.00 22.34 C +ATOM 1912 N ILE B 58 29.622 39.458 5.812 1.00 22.52 N +ATOM 1913 CA ILE B 58 28.232 39.244 6.257 1.00 24.44 C +ATOM 1914 C ILE B 58 27.689 37.956 5.654 1.00 27.68 C +ATOM 1915 O ILE B 58 28.315 37.369 4.772 1.00 26.36 O +ATOM 1916 CB ILE B 58 27.350 40.431 5.849 1.00 27.52 C +ATOM 1917 CG1 ILE B 58 27.346 40.601 4.322 1.00 30.05 C +ATOM 1918 CG2 ILE B 58 27.814 41.718 6.519 1.00 29.51 C +ATOM 1919 CD1 ILE B 58 26.384 41.656 3.800 1.00 33.80 C +ATOM 1920 N SER B 59 26.577 37.438 6.225 1.00 27.14 N +ATOM 1921 CA SER B 59 26.026 36.210 5.675 1.00 28.80 C +ATOM 1922 C SER B 59 25.216 36.480 4.393 1.00 28.41 C +ATOM 1923 O SER B 59 24.535 37.478 4.307 1.00 29.47 O +ATOM 1924 CB SER B 59 24.992 35.575 6.673 1.00 28.55 C +ATOM 1925 OG SER B 59 25.748 35.116 7.796 1.00 29.80 O +ATOM 1926 N PRO B 60 25.298 35.542 3.476 1.00 31.12 N +ATOM 1927 CA PRO B 60 24.523 35.671 2.225 1.00 34.31 C +ATOM 1928 C PRO B 60 23.075 35.928 2.631 1.00 32.77 C +ATOM 1929 O PRO B 60 22.578 35.257 3.547 1.00 35.62 O +ATOM 1930 CB PRO B 60 24.693 34.318 1.568 1.00 34.78 C +ATOM 1931 CG PRO B 60 25.993 33.792 2.090 1.00 34.27 C +ATOM 1932 CD PRO B 60 26.142 34.349 3.483 1.00 32.87 C +ATOM 1933 N GLY B 61 22.470 36.991 2.149 1.00 35.12 N +ATOM 1934 CA GLY B 61 21.066 37.271 2.505 1.00 36.41 C +ATOM 1935 C GLY B 61 20.917 38.381 3.494 1.00 36.13 C +ATOM 1936 O GLY B 61 19.805 38.782 3.886 1.00 35.82 O +ATOM 1937 N ASP B 62 22.053 38.825 4.077 1.00 34.90 N +ATOM 1938 CA ASP B 62 21.965 39.917 5.058 1.00 34.84 C +ATOM 1939 C ASP B 62 21.699 41.223 4.313 1.00 36.27 C +ATOM 1940 O ASP B 62 22.483 41.610 3.459 1.00 34.97 O +ATOM 1941 CB ASP B 62 23.271 40.007 5.854 1.00 32.56 C +ATOM 1942 CG ASP B 62 23.361 41.137 6.830 1.00 36.12 C +ATOM 1943 OD1 ASP B 62 22.673 42.156 6.608 1.00 38.63 O +ATOM 1944 OD2 ASP B 62 24.128 41.051 7.827 1.00 31.22 O +ATOM 1945 N SER B 63 20.519 41.806 4.548 1.00 35.72 N +ATOM 1946 CA SER B 63 20.218 43.092 3.902 1.00 35.95 C +ATOM 1947 C SER B 63 20.214 44.163 4.989 1.00 36.38 C +ATOM 1948 O SER B 63 19.828 45.305 4.771 1.00 36.97 O +ATOM 1949 CB SER B 63 18.852 43.041 3.203 1.00 38.17 C +ATOM 1950 OG SER B 63 17.886 42.489 4.121 1.00 39.51 O +ATOM 1951 N ARG B 64 20.631 43.777 6.206 1.00 35.68 N +ATOM 1952 CA ARG B 64 20.637 44.738 7.312 1.00 36.18 C +ATOM 1953 C ARG B 64 21.789 45.716 7.192 1.00 35.98 C +ATOM 1954 O ARG B 64 21.634 46.931 7.330 1.00 36.04 O +ATOM 1955 CB ARG B 64 20.699 44.002 8.657 1.00 40.15 C +ATOM 1956 N PHE B 65 22.986 45.184 6.907 1.00 32.78 N +ATOM 1957 CA PHE B 65 24.167 46.000 6.773 1.00 28.88 C +ATOM 1958 C PHE B 65 24.042 47.144 5.794 1.00 29.25 C +ATOM 1959 O PHE B 65 24.480 48.273 6.071 1.00 26.93 O +ATOM 1960 CB PHE B 65 25.394 45.118 6.372 1.00 28.93 C +ATOM 1961 CG PHE B 65 26.645 45.977 6.509 1.00 31.22 C +ATOM 1962 CD1 PHE B 65 27.224 46.150 7.750 1.00 30.85 C +ATOM 1963 CD2 PHE B 65 27.175 46.615 5.405 1.00 32.17 C +ATOM 1964 CE1 PHE B 65 28.332 46.964 7.884 1.00 30.39 C +ATOM 1965 CE2 PHE B 65 28.293 47.426 5.533 1.00 30.92 C +ATOM 1966 CZ PHE B 65 28.876 47.594 6.780 1.00 31.60 C +ATOM 1967 N ALA B 66 23.397 46.937 4.631 1.00 30.58 N +ATOM 1968 CA ALA B 66 23.225 47.940 3.623 1.00 31.33 C +ATOM 1969 C ALA B 66 22.420 49.160 4.065 1.00 32.51 C +ATOM 1970 O ALA B 66 22.515 50.201 3.418 1.00 34.99 O +ATOM 1971 CB ALA B 66 22.589 47.355 2.356 1.00 32.66 C +ATOM 1972 N GLN B 67 21.724 49.058 5.166 1.00 34.13 N +ATOM 1973 CA GLN B 67 20.907 50.087 5.759 1.00 35.53 C +ATOM 1974 C GLN B 67 21.680 51.047 6.632 1.00 35.88 C +ATOM 1975 O GLN B 67 21.222 52.151 6.928 1.00 36.13 O +ATOM 1976 CB GLN B 67 19.765 49.448 6.567 1.00 37.46 C +ATOM 1977 N LEU B 68 22.914 50.686 7.039 1.00 34.80 N +ATOM 1978 CA LEU B 68 23.686 51.566 7.877 1.00 33.90 C +ATOM 1979 C LEU B 68 24.395 52.681 7.137 1.00 32.52 C +ATOM 1980 O LEU B 68 24.927 52.538 6.019 1.00 32.68 O +ATOM 1981 CB LEU B 68 24.784 50.740 8.629 1.00 29.74 C +ATOM 1982 CG LEU B 68 24.302 49.473 9.306 1.00 32.12 C +ATOM 1983 CD1 LEU B 68 25.471 48.734 9.970 1.00 32.77 C +ATOM 1984 CD2 LEU B 68 23.227 49.767 10.341 1.00 33.07 C +ATOM 1985 N PRO B 69 24.630 53.788 7.845 1.00 31.80 N +ATOM 1986 CA PRO B 69 25.386 54.907 7.311 1.00 30.38 C +ATOM 1987 C PRO B 69 26.795 54.419 6.933 1.00 31.87 C +ATOM 1988 O PRO B 69 27.415 54.874 6.007 1.00 31.30 O +ATOM 1989 CB PRO B 69 25.497 55.859 8.503 1.00 33.71 C +ATOM 1990 CG PRO B 69 24.303 55.553 9.346 1.00 34.08 C +ATOM 1991 CD PRO B 69 24.101 54.056 9.198 1.00 32.98 C +ATOM 1992 N LEU B 70 27.303 53.448 7.717 1.00 31.64 N +ATOM 1993 CA LEU B 70 28.625 52.868 7.484 1.00 32.42 C +ATOM 1994 C LEU B 70 28.747 52.197 6.149 1.00 29.88 C +ATOM 1995 O LEU B 70 29.831 52.155 5.538 1.00 32.40 O +ATOM 1996 CB LEU B 70 28.937 51.842 8.608 1.00 29.83 C +ATOM 1997 CG LEU B 70 30.367 51.289 8.594 1.00 29.53 C +ATOM 1998 CD1 LEU B 70 31.364 52.357 9.017 1.00 29.81 C +ATOM 1999 CD2 LEU B 70 30.501 50.050 9.460 1.00 28.91 C +ATOM 2000 N ALA B 71 27.650 51.709 5.541 1.00 31.49 N +ATOM 2001 CA ALA B 71 27.753 51.061 4.232 1.00 31.82 C +ATOM 2002 C ALA B 71 28.280 51.976 3.145 1.00 34.60 C +ATOM 2003 O ALA B 71 28.764 51.499 2.105 1.00 34.87 O +ATOM 2004 CB ALA B 71 26.405 50.461 3.829 1.00 38.69 C +ATOM 2005 N ASN B 72 28.236 53.306 3.330 1.00 33.92 N +ATOM 2006 CA ASN B 72 28.785 54.192 2.295 1.00 34.78 C +ATOM 2007 C ASN B 72 30.160 54.708 2.660 1.00 31.24 C +ATOM 2008 O ASN B 72 30.707 55.589 1.998 1.00 31.21 O +ATOM 2009 CB ASN B 72 27.831 55.351 2.012 1.00 45.41 C +ATOM 2010 CG ASN B 72 26.562 54.905 1.312 1.00 50.80 C +ATOM 2011 OD1 ASN B 72 25.527 55.564 1.435 1.00 58.06 O +ATOM 2012 ND2 ASN B 72 26.623 53.791 0.593 1.00 53.59 N +ATOM 2013 N HIS B 73 30.815 54.145 3.682 1.00 29.41 N +ATOM 2014 CA HIS B 73 32.168 54.652 4.044 1.00 28.99 C +ATOM 2015 C HIS B 73 33.185 54.196 3.035 1.00 29.37 C +ATOM 2016 O HIS B 73 33.203 53.007 2.653 1.00 27.09 O +ATOM 2017 CB HIS B 73 32.469 54.075 5.455 1.00 26.16 C +ATOM 2018 CG HIS B 73 33.598 54.780 6.144 1.00 25.86 C +ATOM 2019 ND1 HIS B 73 34.890 54.735 5.717 1.00 26.84 N +ATOM 2020 CD2 HIS B 73 33.595 55.492 7.300 1.00 28.88 C +ATOM 2021 CE1 HIS B 73 35.671 55.408 6.561 1.00 28.61 C +ATOM 2022 NE2 HIS B 73 34.901 55.880 7.525 1.00 29.57 N +ATOM 2023 N PRO B 74 34.085 55.038 2.554 1.00 29.58 N +ATOM 2024 CA PRO B 74 35.067 54.663 1.561 1.00 31.32 C +ATOM 2025 C PRO B 74 36.086 53.643 1.990 1.00 29.40 C +ATOM 2026 O PRO B 74 36.644 52.937 1.132 1.00 30.86 O +ATOM 2027 CB PRO B 74 35.712 55.984 1.139 1.00 33.43 C +ATOM 2028 CG PRO B 74 35.494 56.875 2.307 1.00 32.93 C +ATOM 2029 CD PRO B 74 34.143 56.494 2.873 1.00 32.01 C +ATOM 2030 N GLN B 75 36.319 53.467 3.305 1.00 25.61 N +ATOM 2031 CA GLN B 75 37.280 52.464 3.756 1.00 24.55 C +ATOM 2032 C GLN B 75 36.635 51.138 4.158 1.00 22.63 C +ATOM 2033 O GLN B 75 37.353 50.264 4.675 1.00 23.88 O +ATOM 2034 CB GLN B 75 38.044 52.997 5.004 1.00 25.29 C +ATOM 2035 CG GLN B 75 38.876 54.237 4.578 1.00 28.93 C +ATOM 2036 CD GLN B 75 39.731 54.689 5.747 1.00 36.73 C +ATOM 2037 OE1 GLN B 75 39.267 55.415 6.626 1.00 37.63 O +ATOM 2038 NE2 GLN B 75 40.976 54.220 5.746 1.00 36.02 N +ATOM 2039 N ILE B 76 35.341 50.987 3.951 1.00 21.53 N +ATOM 2040 CA ILE B 76 34.659 49.722 4.276 1.00 22.20 C +ATOM 2041 C ILE B 76 34.464 48.888 3.034 1.00 22.84 C +ATOM 2042 O ILE B 76 34.159 49.406 1.901 1.00 21.97 O +ATOM 2043 CB ILE B 76 33.300 50.033 4.935 1.00 24.32 C +ATOM 2044 CG1 ILE B 76 33.428 50.227 6.443 1.00 27.23 C +ATOM 2045 CG2 ILE B 76 32.278 48.927 4.685 1.00 25.78 C +ATOM 2046 CD1 ILE B 76 34.598 50.959 6.994 1.00 28.11 C +ATOM 2047 N THR B 77 34.703 47.591 3.156 1.00 21.54 N +ATOM 2048 CA THR B 77 34.493 46.660 2.036 1.00 22.02 C +ATOM 2049 C THR B 77 33.608 45.535 2.575 1.00 24.10 C +ATOM 2050 O THR B 77 33.769 45.178 3.762 1.00 25.25 O +ATOM 2051 CB THR B 77 35.818 46.063 1.546 1.00 22.54 C +ATOM 2052 OG1 THR B 77 36.591 47.113 0.975 1.00 24.28 O +ATOM 2053 CG2 THR B 77 35.546 44.951 0.554 1.00 27.19 C +ATOM 2054 N VAL B 78 32.575 45.170 1.838 1.00 23.30 N +ATOM 2055 CA VAL B 78 31.645 44.129 2.325 1.00 23.23 C +ATOM 2056 C VAL B 78 31.707 42.937 1.407 1.00 23.36 C +ATOM 2057 O VAL B 78 31.634 43.070 0.157 1.00 21.02 O +ATOM 2058 CB VAL B 78 30.192 44.671 2.358 1.00 28.32 C +ATOM 2059 CG1 VAL B 78 29.194 43.617 2.787 1.00 27.30 C +ATOM 2060 CG2 VAL B 78 30.087 45.867 3.314 1.00 29.55 C +ATOM 2061 N VAL B 79 31.921 41.754 1.980 1.00 20.30 N +ATOM 2062 CA VAL B 79 31.985 40.504 1.221 1.00 19.99 C +ATOM 2063 C VAL B 79 31.085 39.498 1.925 1.00 21.55 C +ATOM 2064 O VAL B 79 30.785 39.668 3.095 1.00 22.86 O +ATOM 2065 CB VAL B 79 33.407 39.890 1.157 1.00 18.21 C +ATOM 2066 CG1 VAL B 79 34.421 40.864 0.569 1.00 17.63 C +ATOM 2067 CG2 VAL B 79 33.839 39.475 2.563 1.00 21.64 C +ATOM 2068 N ASP B 80 30.641 38.435 1.209 1.00 22.08 N +ATOM 2069 CA ASP B 80 29.858 37.444 1.927 1.00 23.19 C +ATOM 2070 C ASP B 80 30.875 36.446 2.566 1.00 22.64 C +ATOM 2071 O ASP B 80 31.852 36.127 1.918 1.00 22.75 O +ATOM 2072 CB ASP B 80 28.954 36.627 1.023 1.00 26.44 C +ATOM 2073 CG ASP B 80 27.755 37.428 0.526 1.00 25.20 C +ATOM 2074 OD1 ASP B 80 27.513 38.539 1.008 1.00 29.82 O +ATOM 2075 OD2 ASP B 80 27.057 36.858 -0.359 1.00 29.31 O +ATOM 2076 N GLY B 81 30.554 36.064 3.769 1.00 26.93 N +ATOM 2077 CA GLY B 81 31.402 35.111 4.508 1.00 31.30 C +ATOM 2078 C GLY B 81 30.712 33.752 4.550 1.00 36.91 C +ATOM 2079 O GLY B 81 29.778 33.533 3.781 1.00 37.97 O +ATOM 2080 N GLY B 82 31.240 32.824 5.354 1.00 36.94 N +ATOM 2081 CA GLY B 82 30.649 31.487 5.356 1.00 41.30 C +ATOM 2082 C GLY B 82 29.975 31.060 6.634 1.00 42.89 C +ATOM 2083 O GLY B 82 29.514 31.822 7.467 1.00 43.78 O +ATOM 2084 N ASP B 83 29.875 29.729 6.779 1.00 44.99 N +ATOM 2085 CA ASP B 83 29.245 29.106 7.919 1.00 44.87 C +ATOM 2086 C ASP B 83 29.931 29.444 9.232 1.00 43.12 C +ATOM 2087 O ASP B 83 29.389 30.158 10.080 1.00 44.51 O +ATOM 2088 CB ASP B 83 29.203 27.581 7.703 1.00 45.37 C +ATOM 2089 N GLU B 84 31.198 29.073 9.361 1.00 39.57 N +ATOM 2090 CA GLU B 84 31.889 29.322 10.633 1.00 35.32 C +ATOM 2091 C GLU B 84 32.737 30.564 10.603 1.00 33.31 C +ATOM 2092 O GLU B 84 33.078 31.072 9.529 1.00 32.15 O +ATOM 2093 CB AGLU B 84 32.657 28.083 11.057 0.65 40.57 C +ATOM 2094 CB BGLU B 84 32.721 28.051 10.950 0.35 37.27 C +ATOM 2095 CG AGLU B 84 31.824 26.839 11.265 0.65 45.73 C +ATOM 2096 CG BGLU B 84 31.841 26.838 11.176 0.35 39.64 C +ATOM 2097 CD AGLU B 84 30.459 27.013 11.860 0.65 48.01 C +ATOM 2098 CD BGLU B 84 32.493 25.497 11.278 0.35 40.27 C +ATOM 2099 OE1AGLU B 84 30.158 28.005 12.551 0.65 48.59 O +ATOM 2100 OE1BGLU B 84 33.712 25.329 11.082 0.35 38.21 O +ATOM 2101 OE2AGLU B 84 29.603 26.106 11.633 0.65 50.26 O +ATOM 2102 OE2BGLU B 84 31.752 24.501 11.542 0.35 42.48 O +ATOM 2103 N ARG B 85 33.122 31.065 11.777 1.00 30.14 N +ATOM 2104 CA ARG B 85 33.975 32.265 11.818 1.00 26.42 C +ATOM 2105 C ARG B 85 35.193 32.114 10.951 1.00 26.88 C +ATOM 2106 O ARG B 85 35.631 33.103 10.337 1.00 25.48 O +ATOM 2107 CB ARG B 85 34.370 32.568 13.270 1.00 27.83 C +ATOM 2108 CG ARG B 85 35.202 33.797 13.486 1.00 30.13 C +ATOM 2109 CD ARG B 85 35.530 34.015 14.961 1.00 30.35 C +ATOM 2110 NE ARG B 85 36.386 35.195 15.176 1.00 33.13 N +ATOM 2111 CZ ARG B 85 35.897 36.402 15.446 1.00 33.16 C +ATOM 2112 NH1 ARG B 85 34.576 36.589 15.522 1.00 32.09 N +ATOM 2113 NH2 ARG B 85 36.717 37.425 15.665 1.00 33.00 N +ATOM 2114 N ALA B 86 35.847 30.939 10.934 1.00 26.61 N +ATOM 2115 CA ALA B 86 37.038 30.760 10.124 1.00 25.94 C +ATOM 2116 C ALA B 86 36.756 30.952 8.631 1.00 26.31 C +ATOM 2117 O ALA B 86 37.587 31.597 7.987 1.00 23.73 O +ATOM 2118 CB ALA B 86 37.691 29.404 10.358 1.00 27.80 C +ATOM 2119 N ASP B 87 35.606 30.507 8.125 1.00 25.89 N +ATOM 2120 CA ASP B 87 35.216 30.712 6.735 1.00 26.18 C +ATOM 2121 C ASP B 87 35.011 32.226 6.489 1.00 22.48 C +ATOM 2122 O ASP B 87 35.415 32.704 5.432 1.00 24.68 O +ATOM 2123 CB ASP B 87 33.938 29.975 6.354 1.00 29.45 C +ATOM 2124 CG ASP B 87 34.004 28.460 6.588 1.00 32.55 C +ATOM 2125 OD1 ASP B 87 34.886 27.827 5.992 1.00 33.25 O +ATOM 2126 OD2 ASP B 87 33.159 27.933 7.339 1.00 34.55 O +ATOM 2127 N SER B 88 34.363 32.908 7.419 1.00 21.12 N +ATOM 2128 CA SER B 88 34.185 34.362 7.278 1.00 21.71 C +ATOM 2129 C SER B 88 35.518 35.093 7.221 1.00 23.27 C +ATOM 2130 O SER B 88 35.690 36.031 6.421 1.00 23.47 O +ATOM 2131 CB SER B 88 33.297 34.955 8.346 1.00 28.84 C +ATOM 2132 OG SER B 88 31.969 34.455 8.188 1.00 34.22 O +ATOM 2133 N VAL B 89 36.433 34.794 8.146 1.00 21.05 N +ATOM 2134 CA VAL B 89 37.732 35.464 8.140 1.00 20.93 C +ATOM 2135 C VAL B 89 38.461 35.188 6.860 1.00 20.37 C +ATOM 2136 O VAL B 89 39.009 36.098 6.228 1.00 21.58 O +ATOM 2137 CB VAL B 89 38.599 35.077 9.361 1.00 18.76 C +ATOM 2138 CG1 VAL B 89 39.967 35.720 9.256 1.00 20.78 C +ATOM 2139 CG2 VAL B 89 37.879 35.618 10.633 1.00 19.89 C +ATOM 2140 N LEU B 90 38.431 33.925 6.387 1.00 20.29 N +ATOM 2141 CA LEU B 90 39.106 33.601 5.112 1.00 19.11 C +ATOM 2142 C LEU B 90 38.463 34.375 3.958 1.00 20.14 C +ATOM 2143 O LEU B 90 39.213 34.847 3.055 1.00 21.92 O +ATOM 2144 CB LEU B 90 38.969 32.087 4.849 1.00 23.62 C +ATOM 2145 CG LEU B 90 39.969 31.240 5.687 1.00 26.36 C +ATOM 2146 CD1 LEU B 90 39.694 29.751 5.402 1.00 25.14 C +ATOM 2147 CD2 LEU B 90 41.385 31.519 5.205 1.00 25.83 C +ATOM 2148 N ALA B 91 37.177 34.558 3.986 1.00 20.09 N +ATOM 2149 CA ALA B 91 36.550 35.371 2.881 1.00 20.12 C +ATOM 2150 C ALA B 91 37.050 36.785 2.958 1.00 23.26 C +ATOM 2151 O ALA B 91 37.371 37.455 1.974 1.00 21.35 O +ATOM 2152 CB ALA B 91 35.031 35.335 3.078 1.00 23.44 C +ATOM 2153 N GLY B 92 37.125 37.323 4.202 1.00 21.55 N +ATOM 2154 CA GLY B 92 37.596 38.702 4.360 1.00 20.98 C +ATOM 2155 C GLY B 92 39.001 38.894 3.904 1.00 21.40 C +ATOM 2156 O GLY B 92 39.326 39.943 3.330 1.00 21.32 O +ATOM 2157 N LEU B 93 39.889 37.892 4.115 1.00 20.43 N +ATOM 2158 CA LEU B 93 41.268 38.034 3.699 1.00 21.06 C +ATOM 2159 C LEU B 93 41.454 38.210 2.204 1.00 22.69 C +ATOM 2160 O LEU B 93 42.404 38.850 1.759 1.00 23.05 O +ATOM 2161 CB LEU B 93 42.096 36.772 4.106 1.00 21.37 C +ATOM 2162 CG LEU B 93 42.206 36.559 5.614 1.00 23.25 C +ATOM 2163 CD1 LEU B 93 43.160 35.393 5.900 1.00 24.72 C +ATOM 2164 CD2 LEU B 93 42.741 37.808 6.318 1.00 22.50 C +ATOM 2165 N LYS B 94 40.550 37.655 1.389 1.00 23.78 N +ATOM 2166 CA LYS B 94 40.714 37.823 -0.070 1.00 23.01 C +ATOM 2167 C LYS B 94 40.616 39.280 -0.488 1.00 23.84 C +ATOM 2168 O LYS B 94 41.045 39.631 -1.587 1.00 23.63 O +ATOM 2169 CB LYS B 94 39.589 37.048 -0.770 1.00 20.51 C +ATOM 2170 CG LYS B 94 39.572 35.576 -0.433 1.00 24.14 C +ATOM 2171 CD LYS B 94 38.356 34.885 -1.094 1.00 25.35 C +ATOM 2172 CE LYS B 94 38.442 33.383 -0.776 1.00 27.78 C +ATOM 2173 NZ LYS B 94 37.390 32.634 -1.558 1.00 27.65 N +ATOM 2174 N ALA B 95 40.018 40.124 0.345 1.00 22.12 N +ATOM 2175 CA ALA B 95 39.836 41.532 0.034 1.00 22.47 C +ATOM 2176 C ALA B 95 40.772 42.444 0.781 1.00 25.78 C +ATOM 2177 O ALA B 95 40.593 43.679 0.823 1.00 25.15 O +ATOM 2178 CB ALA B 95 38.369 41.888 0.342 1.00 27.70 C +ATOM 2179 N ALA B 96 41.827 41.883 1.377 1.00 22.98 N +ATOM 2180 CA ALA B 96 42.756 42.713 2.162 1.00 25.63 C +ATOM 2181 C ALA B 96 43.752 43.510 1.363 1.00 29.23 C +ATOM 2182 O ALA B 96 44.603 44.231 1.929 1.00 29.57 O +ATOM 2183 CB ALA B 96 43.448 41.821 3.179 1.00 20.35 C +ATOM 2184 N GLY B 97 43.742 43.361 0.043 1.00 27.81 N +ATOM 2185 CA GLY B 97 44.624 44.181 -0.801 1.00 29.80 C +ATOM 2186 C GLY B 97 46.088 43.873 -0.608 1.00 29.26 C +ATOM 2187 O GLY B 97 46.508 42.727 -0.629 1.00 27.39 O +ATOM 2188 N ASP B 98 46.889 44.918 -0.397 1.00 30.10 N +ATOM 2189 CA ASP B 98 48.326 44.731 -0.223 1.00 30.70 C +ATOM 2190 C ASP B 98 48.755 44.583 1.229 1.00 31.31 C +ATOM 2191 O ASP B 98 49.954 44.464 1.509 1.00 31.40 O +ATOM 2192 CB ASP B 98 49.027 45.997 -0.802 1.00 36.54 C +ATOM 2193 N ALA B 99 47.821 44.567 2.184 1.00 27.17 N +ATOM 2194 CA ALA B 99 48.258 44.449 3.584 1.00 28.81 C +ATOM 2195 C ALA B 99 48.971 43.158 3.888 1.00 28.50 C +ATOM 2196 O ALA B 99 48.534 42.068 3.513 1.00 32.18 O +ATOM 2197 CB ALA B 99 47.039 44.643 4.495 1.00 25.78 C +ATOM 2198 N GLN B 100 50.097 43.223 4.640 1.00 27.56 N +ATOM 2199 CA GLN B 100 50.784 41.979 4.983 1.00 28.01 C +ATOM 2200 C GLN B 100 50.383 41.518 6.403 1.00 25.44 C +ATOM 2201 O GLN B 100 50.646 40.380 6.745 1.00 25.30 O +ATOM 2202 CB GLN B 100 52.291 42.088 4.923 1.00 36.02 C +ATOM 2203 CG GLN B 100 52.824 42.402 3.499 1.00 44.53 C +ATOM 2204 CD GLN B 100 54.330 42.645 3.614 1.00 51.34 C +ATOM 2205 OE1 GLN B 100 55.122 41.713 3.512 1.00 56.53 O +ATOM 2206 NE2 GLN B 100 54.704 43.886 3.891 1.00 53.83 N +ATOM 2207 N TRP B 101 49.764 42.433 7.148 1.00 24.52 N +ATOM 2208 CA TRP B 101 49.283 42.105 8.501 1.00 22.11 C +ATOM 2209 C TRP B 101 47.776 42.361 8.550 1.00 21.20 C +ATOM 2210 O TRP B 101 47.281 43.375 7.992 1.00 21.17 O +ATOM 2211 CB TRP B 101 49.970 42.997 9.548 1.00 24.77 C +ATOM 2212 CG TRP B 101 51.326 42.469 9.942 1.00 27.43 C +ATOM 2213 CD1 TRP B 101 52.478 42.590 9.201 1.00 30.36 C +ATOM 2214 CD2 TRP B 101 51.661 41.735 11.112 1.00 27.18 C +ATOM 2215 NE1 TRP B 101 53.524 41.995 9.873 1.00 32.46 N +ATOM 2216 CE2 TRP B 101 53.049 41.453 11.046 1.00 32.20 C +ATOM 2217 CE3 TRP B 101 50.947 41.295 12.224 1.00 21.70 C +ATOM 2218 CZ2 TRP B 101 53.714 40.743 12.045 1.00 26.32 C +ATOM 2219 CZ3 TRP B 101 51.603 40.593 13.225 1.00 24.95 C +ATOM 2220 CH2 TRP B 101 52.997 40.334 13.126 1.00 27.70 C +ATOM 2221 N VAL B 102 47.039 41.571 9.327 1.00 20.57 N +ATOM 2222 CA VAL B 102 45.582 41.695 9.370 1.00 17.60 C +ATOM 2223 C VAL B 102 45.067 41.662 10.819 1.00 19.39 C +ATOM 2224 O VAL B 102 45.628 40.917 11.618 1.00 19.92 O +ATOM 2225 CB VAL B 102 44.920 40.510 8.616 1.00 25.21 C +ATOM 2226 CG1 VAL B 102 43.402 40.488 8.827 1.00 26.64 C +ATOM 2227 CG2 VAL B 102 45.210 40.651 7.100 1.00 24.08 C +ATOM 2228 N LEU B 103 44.123 42.535 11.116 1.00 18.48 N +ATOM 2229 CA LEU B 103 43.492 42.525 12.464 1.00 19.53 C +ATOM 2230 C LEU B 103 42.129 41.819 12.288 1.00 19.42 C +ATOM 2231 O LEU B 103 41.433 42.137 11.321 1.00 20.49 O +ATOM 2232 CB LEU B 103 43.137 43.956 12.878 1.00 20.77 C +ATOM 2233 CG LEU B 103 44.117 44.986 13.290 1.00 26.36 C +ATOM 2234 CD1 LEU B 103 43.496 46.403 13.269 1.00 24.30 C +ATOM 2235 CD2 LEU B 103 44.666 44.697 14.695 1.00 27.14 C +ATOM 2236 N VAL B 104 41.719 40.988 13.241 1.00 18.00 N +ATOM 2237 CA VAL B 104 40.405 40.338 13.130 1.00 19.37 C +ATOM 2238 C VAL B 104 39.672 40.828 14.397 1.00 19.18 C +ATOM 2239 O VAL B 104 40.253 40.628 15.482 1.00 20.26 O +ATOM 2240 CB VAL B 104 40.468 38.823 13.102 1.00 18.79 C +ATOM 2241 CG1 VAL B 104 39.030 38.273 12.934 1.00 19.19 C +ATOM 2242 CG2 VAL B 104 41.316 38.329 11.919 1.00 16.87 C +ATOM 2243 N HIS B 105 38.563 41.486 14.278 1.00 16.86 N +ATOM 2244 CA HIS B 105 37.942 42.046 15.507 1.00 16.71 C +ATOM 2245 C HIS B 105 36.487 41.621 15.570 1.00 19.03 C +ATOM 2246 O HIS B 105 35.771 41.580 14.583 1.00 19.31 O +ATOM 2247 CB HIS B 105 38.044 43.593 15.445 1.00 17.97 C +ATOM 2248 CG HIS B 105 37.428 44.293 16.627 1.00 19.28 C +ATOM 2249 ND1 HIS B 105 37.883 44.104 17.902 1.00 21.41 N +ATOM 2250 CD2 HIS B 105 36.433 45.211 16.703 1.00 18.95 C +ATOM 2251 CE1 HIS B 105 37.188 44.854 18.760 1.00 21.53 C +ATOM 2252 NE2 HIS B 105 36.290 45.553 18.057 1.00 21.00 N +ATOM 2253 N ASP B 106 36.015 41.399 16.797 1.00 18.42 N +ATOM 2254 CA ASP B 106 34.624 41.017 16.995 1.00 20.95 C +ATOM 2255 C ASP B 106 33.714 42.195 16.673 1.00 20.22 C +ATOM 2256 O ASP B 106 33.822 43.284 17.207 1.00 21.56 O +ATOM 2257 CB ASP B 106 34.376 40.659 18.479 1.00 22.46 C +ATOM 2258 CG ASP B 106 34.861 39.286 18.856 1.00 29.01 C +ATOM 2259 OD1 ASP B 106 35.037 39.035 20.085 1.00 28.50 O +ATOM 2260 OD2 ASP B 106 35.081 38.432 17.975 1.00 25.20 O +ATOM 2261 N ALA B 107 32.673 41.898 15.882 1.00 23.16 N +ATOM 2262 CA ALA B 107 31.687 42.937 15.584 1.00 23.95 C +ATOM 2263 C ALA B 107 31.027 43.421 16.876 1.00 22.82 C +ATOM 2264 O ALA B 107 30.639 44.612 16.907 1.00 24.55 O +ATOM 2265 CB ALA B 107 30.594 42.326 14.677 1.00 22.27 C +ATOM 2266 N ALA B 108 30.915 42.618 17.911 1.00 22.03 N +ATOM 2267 CA ALA B 108 30.250 43.057 19.165 1.00 23.38 C +ATOM 2268 C ALA B 108 31.169 43.482 20.279 1.00 23.72 C +ATOM 2269 O ALA B 108 30.869 43.390 21.486 1.00 22.23 O +ATOM 2270 CB ALA B 108 29.263 41.985 19.614 1.00 22.91 C +ATOM 2271 N ARG B 109 32.337 44.077 19.917 1.00 19.93 N +ATOM 2272 CA ARG B 109 33.281 44.639 20.889 1.00 19.41 C +ATOM 2273 C ARG B 109 33.433 46.110 20.533 1.00 21.97 C +ATOM 2274 O ARG B 109 34.440 46.572 19.971 1.00 21.00 O +ATOM 2275 CB ARG B 109 34.602 43.909 20.983 1.00 18.06 C +ATOM 2276 CG ARG B 109 34.607 42.662 21.862 1.00 21.56 C +ATOM 2277 CD ARG B 109 35.979 41.948 21.875 1.00 19.46 C +ATOM 2278 NE ARG B 109 35.899 40.582 22.374 1.00 21.58 N +ATOM 2279 CZ ARG B 109 35.875 40.173 23.623 1.00 23.52 C +ATOM 2280 NH1 ARG B 109 35.910 41.016 24.668 1.00 21.20 N +ATOM 2281 NH2 ARG B 109 35.793 38.882 23.913 1.00 25.29 N +ATOM 2282 N PRO B 110 32.450 46.935 20.954 1.00 19.53 N +ATOM 2283 CA PRO B 110 32.436 48.331 20.555 1.00 20.36 C +ATOM 2284 C PRO B 110 33.195 49.268 21.431 1.00 19.42 C +ATOM 2285 O PRO B 110 33.280 50.470 21.083 1.00 22.73 O +ATOM 2286 CB PRO B 110 30.898 48.662 20.636 1.00 18.81 C +ATOM 2287 CG PRO B 110 30.548 47.900 21.903 1.00 21.52 C +ATOM 2288 CD PRO B 110 31.218 46.540 21.661 1.00 20.90 C +ATOM 2289 N CYS B 111 33.793 48.810 22.519 1.00 19.38 N +ATOM 2290 CA CYS B 111 34.473 49.632 23.469 1.00 17.41 C +ATOM 2291 C CYS B 111 36.015 49.579 23.329 1.00 21.46 C +ATOM 2292 O CYS B 111 36.671 50.264 24.136 1.00 23.00 O +ATOM 2293 CB CYS B 111 34.119 49.301 24.919 1.00 22.12 C +ATOM 2294 SG CYS B 111 32.351 49.250 25.244 1.00 21.74 S +ATOM 2295 N LEU B 112 36.494 49.062 22.230 1.00 20.58 N +ATOM 2296 CA LEU B 112 37.921 48.970 21.956 1.00 22.32 C +ATOM 2297 C LEU B 112 38.533 50.382 22.011 1.00 24.58 C +ATOM 2298 O LEU B 112 38.052 51.257 21.284 1.00 23.86 O +ATOM 2299 CB LEU B 112 38.167 48.420 20.537 1.00 21.26 C +ATOM 2300 CG LEU B 112 39.613 48.481 20.007 1.00 20.56 C +ATOM 2301 CD1 LEU B 112 40.535 47.699 20.928 1.00 19.95 C +ATOM 2302 CD2 LEU B 112 39.633 47.913 18.588 1.00 22.85 C +ATOM 2303 N HIS B 113 39.573 50.525 22.791 1.00 22.20 N +ATOM 2304 CA HIS B 113 40.254 51.814 22.945 1.00 22.91 C +ATOM 2305 C HIS B 113 41.455 51.899 22.010 1.00 22.32 C +ATOM 2306 O HIS B 113 42.178 50.955 21.804 1.00 21.03 O +ATOM 2307 CB HIS B 113 40.714 51.929 24.423 1.00 24.47 C +ATOM 2308 CG HIS B 113 41.170 53.313 24.757 1.00 30.40 C +ATOM 2309 ND1 HIS B 113 40.408 54.244 25.408 1.00 37.69 N +ATOM 2310 CD2 HIS B 113 42.323 53.936 24.426 1.00 26.82 C +ATOM 2311 CE1 HIS B 113 41.080 55.400 25.517 1.00 29.47 C +ATOM 2312 NE2 HIS B 113 42.265 55.217 24.916 1.00 34.38 N +ATOM 2313 N GLN B 114 41.705 53.131 21.504 1.00 21.91 N +ATOM 2314 CA GLN B 114 42.793 53.382 20.587 1.00 22.59 C +ATOM 2315 C GLN B 114 44.156 53.049 21.163 1.00 24.16 C +ATOM 2316 O GLN B 114 45.028 52.587 20.438 1.00 23.72 O +ATOM 2317 CB GLN B 114 42.704 54.847 20.072 1.00 20.94 C +ATOM 2318 CG GLN B 114 42.873 55.945 21.082 1.00 22.92 C +ATOM 2319 CD GLN B 114 41.602 56.388 21.787 1.00 28.73 C +ATOM 2320 OE1 GLN B 114 40.629 55.628 21.871 1.00 27.21 O +ATOM 2321 NE2 GLN B 114 41.543 57.649 22.269 1.00 27.79 N +ATOM 2322 N ASP B 115 44.337 53.241 22.472 1.00 22.57 N +ATOM 2323 CA ASP B 115 45.579 52.940 23.156 1.00 25.11 C +ATOM 2324 C ASP B 115 45.912 51.450 23.020 1.00 22.18 C +ATOM 2325 O ASP B 115 47.052 51.110 22.772 1.00 24.43 O +ATOM 2326 CB ASP B 115 45.504 53.228 24.657 1.00 28.47 C +ATOM 2327 CG ASP B 115 45.428 54.685 24.977 1.00 32.39 C +ATOM 2328 OD1 ASP B 115 45.241 55.014 26.162 1.00 33.51 O +ATOM 2329 OD2 ASP B 115 45.538 55.510 24.030 1.00 33.05 O +ATOM 2330 N ASP B 116 44.901 50.617 23.277 1.00 21.69 N +ATOM 2331 CA ASP B 116 45.093 49.160 23.164 1.00 20.88 C +ATOM 2332 C ASP B 116 45.389 48.767 21.716 1.00 20.64 C +ATOM 2333 O ASP B 116 46.294 47.991 21.388 1.00 18.58 O +ATOM 2334 CB ASP B 116 43.818 48.469 23.647 1.00 22.97 C +ATOM 2335 CG ASP B 116 43.631 48.542 25.165 1.00 24.27 C +ATOM 2336 OD1 ASP B 116 44.550 48.937 25.893 1.00 24.69 O +ATOM 2337 OD2 ASP B 116 42.567 48.067 25.626 1.00 26.10 O +ATOM 2338 N LEU B 117 44.618 49.323 20.781 1.00 20.74 N +ATOM 2339 CA LEU B 117 44.857 49.029 19.350 1.00 19.69 C +ATOM 2340 C LEU B 117 46.249 49.413 18.929 1.00 21.64 C +ATOM 2341 O LEU B 117 46.951 48.678 18.215 1.00 20.77 O +ATOM 2342 CB LEU B 117 43.794 49.824 18.556 1.00 20.07 C +ATOM 2343 CG LEU B 117 43.882 49.760 17.038 1.00 21.73 C +ATOM 2344 CD1 LEU B 117 43.741 48.312 16.571 1.00 22.57 C +ATOM 2345 CD2 LEU B 117 42.802 50.615 16.402 1.00 22.35 C +ATOM 2346 N ALA B 118 46.742 50.580 19.388 1.00 21.45 N +ATOM 2347 CA ALA B 118 48.090 51.007 19.008 1.00 22.66 C +ATOM 2348 C ALA B 118 49.172 50.094 19.567 1.00 21.60 C +ATOM 2349 O ALA B 118 50.093 49.717 18.836 1.00 22.27 O +ATOM 2350 CB ALA B 118 48.320 52.470 19.436 1.00 22.86 C +ATOM 2351 N ARG B 119 49.021 49.636 20.815 1.00 24.24 N +ATOM 2352 CA ARG B 119 49.940 48.733 21.479 1.00 25.37 C +ATOM 2353 C ARG B 119 49.972 47.394 20.740 1.00 25.27 C +ATOM 2354 O ARG B 119 51.010 46.793 20.486 1.00 24.74 O +ATOM 2355 CB ARG B 119 49.543 48.503 22.952 1.00 26.20 C +ATOM 2356 CG ARG B 119 50.576 47.850 23.834 1.00 31.67 C +ATOM 2357 CD ARG B 119 50.158 47.832 25.326 1.00 39.11 C +ATOM 2358 NE ARG B 119 49.554 49.099 25.715 1.00 38.29 N +ATOM 2359 CZ ARG B 119 48.291 49.259 26.089 1.00 41.08 C +ATOM 2360 NH1 ARG B 119 47.843 50.486 26.376 1.00 38.73 N +ATOM 2361 NH2 ARG B 119 47.461 48.220 26.182 1.00 34.57 N +ATOM 2362 N LEU B 120 48.774 46.919 20.330 1.00 20.77 N +ATOM 2363 CA LEU B 120 48.746 45.670 19.568 1.00 21.93 C +ATOM 2364 C LEU B 120 49.388 45.813 18.193 1.00 21.01 C +ATOM 2365 O LEU B 120 50.198 44.983 17.754 1.00 21.98 O +ATOM 2366 CB LEU B 120 47.283 45.250 19.359 1.00 19.22 C +ATOM 2367 CG LEU B 120 47.099 43.935 18.595 1.00 21.27 C +ATOM 2368 CD1 LEU B 120 47.590 42.749 19.410 1.00 22.90 C +ATOM 2369 CD2 LEU B 120 45.618 43.786 18.224 1.00 19.60 C +ATOM 2370 N LEU B 121 49.124 46.944 17.516 1.00 22.19 N +ATOM 2371 CA LEU B 121 49.690 47.149 16.178 1.00 23.85 C +ATOM 2372 C LEU B 121 51.211 47.244 16.221 1.00 26.68 C +ATOM 2373 O LEU B 121 51.875 46.823 15.271 1.00 24.62 O +ATOM 2374 CB LEU B 121 49.129 48.433 15.529 1.00 24.59 C +ATOM 2375 CG LEU B 121 47.750 48.314 14.917 1.00 29.62 C +ATOM 2376 CD1 LEU B 121 47.389 49.576 14.122 1.00 26.84 C +ATOM 2377 CD2 LEU B 121 47.633 47.091 14.028 1.00 26.45 C +ATOM 2378 N ALA B 122 51.758 47.615 17.373 1.00 29.55 N +ATOM 2379 CA ALA B 122 53.214 47.672 17.546 1.00 32.91 C +ATOM 2380 C ALA B 122 53.847 46.299 17.395 1.00 34.32 C +ATOM 2381 O ALA B 122 55.052 46.205 17.100 1.00 34.18 O +ATOM 2382 CB ALA B 122 53.559 48.268 18.899 1.00 34.83 C +ATOM 2383 N LEU B 123 53.098 45.197 17.541 1.00 32.76 N +ATOM 2384 CA LEU B 123 53.637 43.872 17.343 1.00 34.32 C +ATOM 2385 C LEU B 123 54.200 43.598 15.956 1.00 35.80 C +ATOM 2386 O LEU B 123 55.010 42.644 15.818 1.00 38.23 O +ATOM 2387 CB LEU B 123 52.599 42.785 17.645 1.00 33.93 C +ATOM 2388 CG LEU B 123 52.189 42.511 19.067 1.00 38.07 C +ATOM 2389 CD1 LEU B 123 51.110 41.432 19.149 1.00 36.44 C +ATOM 2390 CD2 LEU B 123 53.382 42.057 19.923 1.00 39.23 C +ATOM 2391 N SER B 124 53.754 44.230 14.896 1.00 36.98 N +ATOM 2392 CA SER B 124 54.245 43.974 13.547 1.00 40.64 C +ATOM 2393 C SER B 124 55.666 44.504 13.339 1.00 44.43 C +ATOM 2394 O SER B 124 56.334 44.142 12.368 1.00 46.79 O +ATOM 2395 CB SER B 124 53.344 44.558 12.488 1.00 39.45 C +ATOM 2396 OG SER B 124 53.319 45.976 12.512 1.00 35.90 O +ATOM 2397 N GLU B 125 56.084 45.426 14.198 1.00 46.75 N +ATOM 2398 CA GLU B 125 57.433 45.986 14.097 1.00 48.82 C +ATOM 2399 C GLU B 125 58.445 44.975 14.654 1.00 49.44 C +ATOM 2400 O GLU B 125 59.541 44.837 14.103 1.00 51.68 O +ATOM 2401 CB GLU B 125 57.530 47.282 14.916 1.00 43.90 C +ATOM 2402 N THR B 126 58.001 44.148 15.580 1.00 49.47 N +ATOM 2403 CA THR B 126 58.806 43.195 16.266 1.00 50.12 C +ATOM 2404 C THR B 126 58.546 41.722 16.170 1.00 49.96 C +ATOM 2405 O THR B 126 59.545 40.967 16.327 1.00 53.44 O +ATOM 2406 CB THR B 126 58.742 43.516 17.816 1.00 52.22 C +ATOM 2407 OG1 THR B 126 58.940 42.283 18.522 1.00 54.42 O +ATOM 2408 CG2 THR B 126 57.382 44.075 18.162 1.00 51.98 C +ATOM 2409 N SER B 127 57.333 41.224 16.063 1.00 47.71 N +ATOM 2410 CA SER B 127 57.050 39.797 16.108 1.00 43.50 C +ATOM 2411 C SER B 127 56.806 39.145 14.767 1.00 41.94 C +ATOM 2412 O SER B 127 56.682 39.847 13.763 1.00 38.83 O +ATOM 2413 CB SER B 127 55.856 39.564 17.051 1.00 47.84 C +ATOM 2414 OG SER B 127 55.239 38.301 16.847 1.00 51.90 O +ATOM 2415 N ARG B 128 56.861 37.800 14.743 1.00 38.70 N +ATOM 2416 CA ARG B 128 56.620 37.082 13.503 1.00 38.09 C +ATOM 2417 C ARG B 128 55.299 36.328 13.537 1.00 37.23 C +ATOM 2418 O ARG B 128 54.844 35.797 12.522 1.00 37.97 O +ATOM 2419 CB ARG B 128 57.720 36.035 13.216 1.00 36.62 C +ATOM 2420 CG ARG B 128 59.116 36.631 13.118 1.00 41.53 C +ATOM 2421 N THR B 129 54.734 36.142 14.743 1.00 34.68 N +ATOM 2422 CA THR B 129 53.519 35.333 14.815 1.00 33.69 C +ATOM 2423 C THR B 129 52.306 36.144 15.255 1.00 32.74 C +ATOM 2424 O THR B 129 51.189 35.609 15.107 1.00 36.90 O +ATOM 2425 CB THR B 129 53.688 34.078 15.660 1.00 39.19 C +ATOM 2426 OG1 THR B 129 54.143 34.420 16.967 1.00 38.58 O +ATOM 2427 CG2 THR B 129 54.692 33.118 15.026 1.00 40.77 C +ATOM 2428 N GLY B 130 52.492 37.358 15.669 1.00 29.78 N +ATOM 2429 CA GLY B 130 51.396 38.243 16.052 1.00 29.69 C +ATOM 2430 C GLY B 130 50.955 37.971 17.499 1.00 30.39 C +ATOM 2431 O GLY B 130 51.664 37.366 18.300 1.00 27.59 O +ATOM 2432 N GLY B 131 49.759 38.437 17.795 1.00 25.90 N +ATOM 2433 CA GLY B 131 49.249 38.323 19.172 1.00 24.28 C +ATOM 2434 C GLY B 131 47.867 38.941 19.243 1.00 24.03 C +ATOM 2435 O GLY B 131 47.272 39.328 18.253 1.00 20.46 O +ATOM 2436 N ILE B 132 47.316 38.875 20.466 1.00 22.37 N +ATOM 2437 CA ILE B 132 45.978 39.353 20.719 1.00 21.03 C +ATOM 2438 C ILE B 132 45.893 40.271 21.934 1.00 22.78 C +ATOM 2439 O ILE B 132 46.779 40.306 22.786 1.00 21.64 O +ATOM 2440 CB ILE B 132 45.072 38.118 20.972 1.00 21.10 C +ATOM 2441 CG1 ILE B 132 45.436 37.485 22.340 1.00 19.83 C +ATOM 2442 CG2 ILE B 132 45.239 37.040 19.894 1.00 18.41 C +ATOM 2443 CD1 ILE B 132 44.370 36.532 22.885 1.00 21.09 C +ATOM 2444 N LEU B 133 44.859 41.141 21.949 1.00 20.58 N +ATOM 2445 CA LEU B 133 44.615 41.879 23.190 1.00 21.19 C +ATOM 2446 C LEU B 133 44.103 40.836 24.215 1.00 20.88 C +ATOM 2447 O LEU B 133 43.310 39.935 23.832 1.00 19.72 O +ATOM 2448 CB LEU B 133 43.510 42.900 23.012 1.00 20.29 C +ATOM 2449 CG LEU B 133 43.883 44.357 22.855 1.00 29.94 C +ATOM 2450 CD1 LEU B 133 45.340 44.682 22.666 1.00 27.49 C +ATOM 2451 CD2 LEU B 133 42.952 45.091 21.954 1.00 18.26 C +ATOM 2452 N ALA B 134 44.408 41.050 25.463 1.00 19.86 N +ATOM 2453 CA ALA B 134 43.948 40.065 26.489 1.00 18.62 C +ATOM 2454 C ALA B 134 43.924 40.731 27.857 1.00 21.21 C +ATOM 2455 O ALA B 134 44.597 41.716 28.064 1.00 20.04 O +ATOM 2456 CB ALA B 134 44.865 38.858 26.473 1.00 21.77 C +ATOM 2457 N ALA B 135 43.109 40.143 28.750 1.00 22.32 N +ATOM 2458 CA ALA B 135 43.019 40.738 30.096 1.00 24.00 C +ATOM 2459 C ALA B 135 43.214 39.607 31.137 1.00 24.57 C +ATOM 2460 O ALA B 135 42.614 38.563 31.019 1.00 23.26 O +ATOM 2461 CB ALA B 135 41.658 41.355 30.305 1.00 25.40 C +ATOM 2462 N PRO B 136 44.150 39.834 32.037 1.00 25.86 N +ATOM 2463 CA PRO B 136 44.444 38.866 33.089 1.00 26.54 C +ATOM 2464 C PRO B 136 43.230 38.621 33.971 1.00 25.62 C +ATOM 2465 O PRO B 136 42.478 39.535 34.280 1.00 25.32 O +ATOM 2466 CB PRO B 136 45.566 39.504 33.901 1.00 27.15 C +ATOM 2467 CG PRO B 136 46.060 40.640 33.089 1.00 32.58 C +ATOM 2468 CD PRO B 136 44.928 41.086 32.191 1.00 27.18 C +ATOM 2469 N VAL B 137 43.080 37.377 34.435 1.00 24.49 N +ATOM 2470 CA VAL B 137 42.001 37.048 35.371 1.00 24.62 C +ATOM 2471 C VAL B 137 42.317 37.667 36.750 1.00 27.58 C +ATOM 2472 O VAL B 137 43.384 37.377 37.288 1.00 29.71 O +ATOM 2473 CB VAL B 137 41.856 35.530 35.500 1.00 24.75 C +ATOM 2474 CG1 VAL B 137 40.884 35.166 36.601 1.00 25.87 C +ATOM 2475 CG2 VAL B 137 41.344 34.994 34.151 1.00 25.57 C +ATOM 2476 N ARG B 138 41.426 38.489 37.245 1.00 28.14 N +ATOM 2477 CA ARG B 138 41.640 39.189 38.520 1.00 29.80 C +ATOM 2478 C ARG B 138 40.710 38.665 39.607 1.00 30.99 C +ATOM 2479 O ARG B 138 40.840 39.088 40.782 1.00 30.33 O +ATOM 2480 CB ARG B 138 41.423 40.690 38.369 1.00 31.90 C +ATOM 2481 CG ARG B 138 42.462 41.438 37.544 1.00 41.27 C +ATOM 2482 CD ARG B 138 43.817 40.807 37.633 1.00 46.03 C +ATOM 2483 NE ARG B 138 44.969 41.662 37.441 1.00 48.42 N +ATOM 2484 CZ ARG B 138 46.215 41.151 37.473 1.00 53.41 C +ATOM 2485 NH1 ARG B 138 46.405 39.852 37.686 1.00 52.60 N +ATOM 2486 NH2 ARG B 138 47.247 41.956 37.274 1.00 54.95 N +ATOM 2487 N ASP B 139 39.779 37.818 39.221 1.00 28.42 N +ATOM 2488 CA ASP B 139 38.824 37.257 40.181 1.00 28.19 C +ATOM 2489 C ASP B 139 39.132 35.784 40.384 1.00 28.48 C +ATOM 2490 O ASP B 139 40.288 35.385 40.229 1.00 30.33 O +ATOM 2491 CB ASP B 139 37.405 37.510 39.736 1.00 29.26 C +ATOM 2492 CG ASP B 139 37.067 36.903 38.373 1.00 32.13 C +ATOM 2493 OD1 ASP B 139 35.861 36.759 38.123 1.00 28.06 O +ATOM 2494 OD2 ASP B 139 37.966 36.571 37.571 1.00 29.65 O +ATOM 2495 N THR B 140 38.158 35.004 40.812 1.00 26.28 N +ATOM 2496 CA THR B 140 38.412 33.582 41.091 1.00 27.79 C +ATOM 2497 C THR B 140 37.457 32.777 40.202 1.00 25.38 C +ATOM 2498 O THR B 140 36.347 33.263 39.908 1.00 28.04 O +ATOM 2499 CB THR B 140 38.097 33.230 42.554 1.00 27.40 C +ATOM 2500 OG1 THR B 140 36.746 33.624 42.792 1.00 34.13 O +ATOM 2501 CG2 THR B 140 39.007 33.999 43.499 1.00 29.73 C +ATOM 2502 N MET B 141 37.981 31.675 39.702 1.00 22.41 N +ATOM 2503 CA MET B 141 37.152 30.900 38.764 1.00 22.52 C +ATOM 2504 C MET B 141 36.969 29.473 39.268 1.00 21.34 C +ATOM 2505 O MET B 141 37.794 28.948 39.976 1.00 24.40 O +ATOM 2506 CB MET B 141 37.844 30.873 37.382 1.00 21.13 C +ATOM 2507 CG MET B 141 37.572 32.261 36.718 1.00 26.28 C +ATOM 2508 SD MET B 141 38.019 32.277 35.010 1.00 27.78 S +ATOM 2509 CE MET B 141 37.650 34.044 34.656 1.00 26.50 C +ATOM 2510 N LYS B 142 35.824 28.899 38.913 1.00 22.05 N +ATOM 2511 CA LYS B 142 35.485 27.546 39.279 1.00 21.78 C +ATOM 2512 C LYS B 142 35.200 26.709 38.035 1.00 23.22 C +ATOM 2513 O LYS B 142 34.617 27.208 37.058 1.00 22.47 O +ATOM 2514 CB LYS B 142 34.198 27.537 40.158 1.00 20.52 C +ATOM 2515 CG LYS B 142 34.300 28.459 41.381 1.00 17.32 C +ATOM 2516 CD LYS B 142 35.386 28.000 42.369 1.00 23.68 C +ATOM 2517 CE LYS B 142 35.283 28.816 43.656 1.00 23.20 C +ATOM 2518 NZ LYS B 142 36.103 28.220 44.796 1.00 20.49 N +ATOM 2519 N ARG B 143 35.590 25.456 38.048 1.00 21.39 N +ATOM 2520 CA ARG B 143 35.280 24.548 36.939 1.00 23.34 C +ATOM 2521 C ARG B 143 34.119 23.647 37.405 1.00 23.22 C +ATOM 2522 O ARG B 143 34.231 23.038 38.470 1.00 23.38 O +ATOM 2523 CB ARG B 143 36.491 23.698 36.589 1.00 23.58 C +ATOM 2524 CG ARG B 143 36.174 22.510 35.691 1.00 28.86 C +ATOM 2525 CD ARG B 143 35.720 22.979 34.335 1.00 32.94 C +ATOM 2526 NE ARG B 143 36.570 23.720 33.523 1.00 38.55 N +ATOM 2527 CZ ARG B 143 37.812 23.975 33.385 1.00 34.57 C +ATOM 2528 NH1 ARG B 143 38.285 24.764 32.391 1.00 26.84 N +ATOM 2529 NH2 ARG B 143 38.648 23.463 34.306 1.00 45.84 N +ATOM 2530 N ALA B 144 33.038 23.602 36.653 1.00 23.35 N +ATOM 2531 CA ALA B 144 31.892 22.792 37.028 1.00 25.29 C +ATOM 2532 C ALA B 144 32.080 21.311 36.706 1.00 28.39 C +ATOM 2533 O ALA B 144 32.859 20.982 35.800 1.00 26.94 O +ATOM 2534 CB ALA B 144 30.667 23.292 36.225 1.00 25.95 C +ATOM 2535 N GLU B 145 31.390 20.447 37.427 1.00 25.53 N +ATOM 2536 CA GLU B 145 31.465 18.998 37.077 1.00 27.98 C +ATOM 2537 C GLU B 145 30.826 18.893 35.697 1.00 29.83 C +ATOM 2538 O GLU B 145 29.859 19.599 35.389 1.00 30.21 O +ATOM 2539 CB GLU B 145 30.642 18.198 38.099 1.00 32.49 C +ATOM 2540 CG GLU B 145 31.179 18.239 39.504 1.00 36.74 C +ATOM 2541 CD GLU B 145 30.302 17.552 40.534 1.00 41.65 C +ATOM 2542 OE1 GLU B 145 30.844 17.096 41.549 1.00 43.78 O +ATOM 2543 OE2 GLU B 145 29.069 17.462 40.322 1.00 45.26 O +ATOM 2544 N PRO B 146 31.267 17.971 34.850 1.00 32.75 N +ATOM 2545 CA PRO B 146 30.721 17.840 33.512 1.00 33.99 C +ATOM 2546 C PRO B 146 29.227 17.646 33.470 1.00 33.55 C +ATOM 2547 O PRO B 146 28.679 16.804 34.195 1.00 36.74 O +ATOM 2548 CB PRO B 146 31.452 16.599 32.955 1.00 35.23 C +ATOM 2549 CG PRO B 146 32.751 16.616 33.685 1.00 36.00 C +ATOM 2550 CD PRO B 146 32.369 17.016 35.119 1.00 33.60 C +ATOM 2551 N GLY B 147 28.514 18.525 32.778 1.00 34.30 N +ATOM 2552 CA GLY B 147 27.083 18.468 32.619 1.00 36.56 C +ATOM 2553 C GLY B 147 26.249 18.680 33.865 1.00 37.52 C +ATOM 2554 O GLY B 147 25.035 18.389 33.853 1.00 37.91 O +ATOM 2555 N LYS B 148 26.814 19.311 34.884 1.00 33.80 N +ATOM 2556 CA LYS B 148 26.112 19.563 36.156 1.00 32.76 C +ATOM 2557 C LYS B 148 26.475 20.971 36.645 1.00 31.37 C +ATOM 2558 O LYS B 148 27.585 21.414 36.330 1.00 32.86 O +ATOM 2559 CB LYS B 148 26.622 18.525 37.160 1.00 34.18 C +ATOM 2560 N ASN B 149 25.604 21.680 37.342 1.00 30.54 N +ATOM 2561 CA ASN B 149 25.973 23.013 37.828 1.00 30.52 C +ATOM 2562 C ASN B 149 26.425 22.920 39.310 1.00 31.02 C +ATOM 2563 O ASN B 149 25.759 23.437 40.202 1.00 28.76 O +ATOM 2564 CB ASN B 149 24.919 24.075 37.704 1.00 36.56 C +ATOM 2565 CG ASN B 149 24.525 24.336 36.253 1.00 38.57 C +ATOM 2566 OD1 ASN B 149 25.397 24.658 35.442 1.00 37.29 O +ATOM 2567 ND2 ASN B 149 23.244 24.164 35.979 1.00 40.85 N +ATOM 2568 N ALA B 150 27.416 22.102 39.511 1.00 28.82 N +ATOM 2569 CA ALA B 150 28.063 21.883 40.793 1.00 28.35 C +ATOM 2570 C ALA B 150 29.570 22.067 40.529 1.00 26.54 C +ATOM 2571 O ALA B 150 30.081 21.786 39.437 1.00 26.67 O +ATOM 2572 CB ALA B 150 27.795 20.565 41.435 1.00 27.37 C +ATOM 2573 N ILE B 151 30.236 22.626 41.505 1.00 23.20 N +ATOM 2574 CA ILE B 151 31.668 22.879 41.381 1.00 23.88 C +ATOM 2575 C ILE B 151 32.503 21.613 41.450 1.00 24.47 C +ATOM 2576 O ILE B 151 32.441 20.868 42.459 1.00 23.98 O +ATOM 2577 CB ILE B 151 32.114 23.823 42.538 1.00 21.18 C +ATOM 2578 CG1 ILE B 151 31.448 25.206 42.275 1.00 22.68 C +ATOM 2579 CG2 ILE B 151 33.622 23.999 42.551 1.00 24.76 C +ATOM 2580 CD1 ILE B 151 31.810 26.216 43.381 1.00 27.05 C +ATOM 2581 N ALA B 152 33.353 21.438 40.449 1.00 22.62 N +ATOM 2582 CA ALA B 152 34.347 20.356 40.469 1.00 25.52 C +ATOM 2583 C ALA B 152 35.562 20.819 41.243 1.00 26.40 C +ATOM 2584 O ALA B 152 35.898 20.268 42.306 1.00 26.92 O +ATOM 2585 CB ALA B 152 34.728 19.927 39.066 1.00 27.39 C +ATOM 2586 N HIS B 153 36.191 21.933 40.828 1.00 24.18 N +ATOM 2587 CA HIS B 153 37.341 22.465 41.509 1.00 24.92 C +ATOM 2588 C HIS B 153 37.599 23.943 41.165 1.00 25.22 C +ATOM 2589 O HIS B 153 37.028 24.438 40.206 1.00 24.65 O +ATOM 2590 CB HIS B 153 38.636 21.709 41.128 1.00 28.82 C +ATOM 2591 CG HIS B 153 38.762 21.484 39.640 1.00 27.86 C +ATOM 2592 ND1 HIS B 153 39.280 22.430 38.805 1.00 33.45 N +ATOM 2593 CD2 HIS B 153 38.496 20.378 38.889 1.00 24.30 C +ATOM 2594 CE1 HIS B 153 39.300 21.960 37.554 1.00 27.60 C +ATOM 2595 NE2 HIS B 153 38.801 20.730 37.569 1.00 28.52 N +ATOM 2596 N THR B 154 38.507 24.529 41.915 1.00 24.16 N +ATOM 2597 CA THR B 154 38.949 25.903 41.650 1.00 26.18 C +ATOM 2598 C THR B 154 39.965 25.856 40.508 1.00 27.33 C +ATOM 2599 O THR B 154 40.768 24.914 40.409 1.00 29.03 O +ATOM 2600 CB THR B 154 39.531 26.566 42.886 1.00 30.22 C +ATOM 2601 OG1 THR B 154 38.471 26.610 43.876 1.00 27.73 O +ATOM 2602 CG2 THR B 154 39.984 28.014 42.656 1.00 27.11 C +ATOM 2603 N VAL B 155 39.869 26.833 39.613 1.00 23.78 N +ATOM 2604 CA VAL B 155 40.854 26.856 38.499 1.00 27.06 C +ATOM 2605 C VAL B 155 41.972 27.815 38.903 1.00 26.51 C +ATOM 2606 O VAL B 155 41.687 28.943 39.270 1.00 31.59 O +ATOM 2607 CB VAL B 155 40.199 27.310 37.194 1.00 25.94 C +ATOM 2608 CG1 VAL B 155 41.289 27.505 36.098 1.00 27.28 C +ATOM 2609 CG2 VAL B 155 39.173 26.292 36.703 1.00 28.31 C +ATOM 2610 N ASP B 156 43.225 27.388 38.755 1.00 28.98 N +ATOM 2611 CA ASP B 156 44.350 28.274 39.093 1.00 28.70 C +ATOM 2612 C ASP B 156 44.281 29.521 38.198 1.00 29.19 C +ATOM 2613 O ASP B 156 44.360 29.335 36.963 1.00 29.80 O +ATOM 2614 CB ASP B 156 45.652 27.523 38.750 1.00 34.59 C +ATOM 2615 CG ASP B 156 46.899 28.303 39.093 1.00 37.07 C +ATOM 2616 OD1 ASP B 156 46.840 29.473 39.512 1.00 33.65 O +ATOM 2617 OD2 ASP B 156 47.998 27.710 38.942 1.00 46.11 O +ATOM 2618 N ARG B 157 44.309 30.710 38.746 1.00 28.75 N +ATOM 2619 CA ARG B 157 44.231 31.912 37.908 1.00 28.83 C +ATOM 2620 C ARG B 157 45.585 32.465 37.519 1.00 30.40 C +ATOM 2621 O ARG B 157 45.670 33.372 36.664 1.00 28.47 O +ATOM 2622 CB ARG B 157 43.366 32.983 38.536 1.00 32.91 C +ATOM 2623 CG ARG B 157 44.060 33.752 39.632 1.00 37.57 C +ATOM 2624 CD ARG B 157 43.086 34.632 40.404 1.00 41.65 C +ATOM 2625 NE ARG B 157 43.753 35.141 41.599 1.00 44.54 N +ATOM 2626 CZ ARG B 157 43.393 36.187 42.309 1.00 46.87 C +ATOM 2627 NH1 ARG B 157 42.336 36.906 41.966 1.00 50.63 N +ATOM 2628 NH2 ARG B 157 44.089 36.522 43.397 1.00 44.20 N +ATOM 2629 N ASN B 158 46.678 31.916 38.061 1.00 30.73 N +ATOM 2630 CA ASN B 158 48.008 32.410 37.662 1.00 31.35 C +ATOM 2631 C ASN B 158 48.283 32.114 36.181 1.00 28.35 C +ATOM 2632 O ASN B 158 48.193 30.985 35.715 1.00 26.63 O +ATOM 2633 CB ASN B 158 49.074 31.773 38.553 1.00 38.59 C +ATOM 2634 CG ASN B 158 49.048 32.325 39.965 1.00 46.40 C +ATOM 2635 OD1 ASN B 158 48.314 33.268 40.289 1.00 47.02 O +ATOM 2636 ND2 ASN B 158 49.839 31.723 40.859 1.00 49.25 N +ATOM 2637 N GLY B 159 48.650 33.149 35.434 1.00 28.38 N +ATOM 2638 CA GLY B 159 48.880 33.068 34.006 1.00 25.95 C +ATOM 2639 C GLY B 159 47.613 32.805 33.197 1.00 23.80 C +ATOM 2640 O GLY B 159 47.727 32.369 32.019 1.00 22.86 O +ATOM 2641 N LEU B 160 46.444 33.028 33.737 1.00 23.79 N +ATOM 2642 CA LEU B 160 45.162 32.803 33.023 1.00 23.89 C +ATOM 2643 C LEU B 160 44.669 34.156 32.523 1.00 22.86 C +ATOM 2644 O LEU B 160 44.637 35.174 33.251 1.00 22.79 O +ATOM 2645 CB LEU B 160 44.091 32.183 33.929 1.00 26.52 C +ATOM 2646 CG LEU B 160 42.796 31.708 33.218 1.00 24.73 C +ATOM 2647 CD1 LEU B 160 43.048 30.613 32.191 1.00 23.34 C +ATOM 2648 CD2 LEU B 160 41.784 31.208 34.275 1.00 24.32 C +ATOM 2649 N TRP B 161 44.348 34.205 31.215 1.00 24.31 N +ATOM 2650 CA TRP B 161 43.922 35.442 30.593 1.00 20.27 C +ATOM 2651 C TRP B 161 42.648 35.336 29.757 1.00 19.76 C +ATOM 2652 O TRP B 161 42.374 34.288 29.164 1.00 21.60 O +ATOM 2653 CB TRP B 161 45.012 35.822 29.530 1.00 24.41 C +ATOM 2654 CG TRP B 161 46.326 36.203 30.141 1.00 24.32 C +ATOM 2655 CD1 TRP B 161 47.254 35.397 30.693 1.00 23.74 C +ATOM 2656 CD2 TRP B 161 46.871 37.528 30.159 1.00 26.29 C +ATOM 2657 NE1 TRP B 161 48.342 36.139 31.124 1.00 24.50 N +ATOM 2658 CE2 TRP B 161 48.137 37.448 30.771 1.00 28.53 C +ATOM 2659 CE3 TRP B 161 46.425 38.766 29.691 1.00 23.52 C +ATOM 2660 CZ2 TRP B 161 48.944 38.566 30.958 1.00 31.61 C +ATOM 2661 CZ3 TRP B 161 47.221 39.876 29.864 1.00 28.91 C +ATOM 2662 CH2 TRP B 161 48.475 39.775 30.521 1.00 32.50 C +ATOM 2663 N HIS B 162 41.886 36.423 29.718 1.00 19.29 N +ATOM 2664 CA HIS B 162 40.723 36.449 28.816 1.00 21.26 C +ATOM 2665 C HIS B 162 41.243 36.821 27.403 1.00 21.40 C +ATOM 2666 O HIS B 162 41.898 37.853 27.307 1.00 21.60 O +ATOM 2667 CB HIS B 162 39.845 37.630 29.219 1.00 22.91 C +ATOM 2668 CG HIS B 162 39.027 37.378 30.457 1.00 23.22 C +ATOM 2669 ND1 HIS B 162 37.686 37.132 30.412 1.00 25.43 N +ATOM 2670 CD2 HIS B 162 39.427 37.306 31.761 1.00 24.74 C +ATOM 2671 CE1 HIS B 162 37.239 36.935 31.657 1.00 26.99 C +ATOM 2672 NE2 HIS B 162 38.286 37.043 32.481 1.00 24.19 N +ATOM 2673 N ALA B 163 40.933 36.044 26.383 1.00 21.20 N +ATOM 2674 CA ALA B 163 41.363 36.523 25.037 1.00 19.59 C +ATOM 2675 C ALA B 163 40.353 37.584 24.589 1.00 18.93 C +ATOM 2676 O ALA B 163 39.158 37.313 24.679 1.00 22.71 O +ATOM 2677 CB ALA B 163 41.217 35.364 24.064 1.00 19.96 C +ATOM 2678 N LEU B 164 40.815 38.741 24.193 1.00 17.96 N +ATOM 2679 CA LEU B 164 39.910 39.789 23.650 1.00 19.21 C +ATOM 2680 C LEU B 164 40.191 39.914 22.157 1.00 18.86 C +ATOM 2681 O LEU B 164 40.804 39.029 21.556 1.00 18.72 O +ATOM 2682 CB LEU B 164 40.233 41.122 24.345 1.00 16.80 C +ATOM 2683 CG LEU B 164 40.292 40.953 25.913 1.00 17.53 C +ATOM 2684 CD1 LEU B 164 40.719 42.292 26.514 1.00 19.92 C +ATOM 2685 CD2 LEU B 164 38.932 40.517 26.388 1.00 20.29 C +ATOM 2686 N THR B 165 39.710 40.978 21.510 1.00 17.64 N +ATOM 2687 CA THR B 165 40.084 41.196 20.097 1.00 17.07 C +ATOM 2688 C THR B 165 40.311 42.711 20.031 1.00 16.73 C +ATOM 2689 O THR B 165 39.789 43.470 20.876 1.00 19.77 O +ATOM 2690 CB THR B 165 39.019 40.744 19.094 1.00 17.54 C +ATOM 2691 OG1 THR B 165 37.896 41.643 19.075 1.00 18.38 O +ATOM 2692 CG2 THR B 165 38.470 39.355 19.398 1.00 19.68 C +ATOM 2693 N PRO B 166 41.013 43.204 19.014 1.00 16.31 N +ATOM 2694 CA PRO B 166 41.497 42.437 17.934 1.00 18.04 C +ATOM 2695 C PRO B 166 42.570 41.413 18.165 1.00 21.32 C +ATOM 2696 O PRO B 166 43.225 41.358 19.206 1.00 20.13 O +ATOM 2697 CB PRO B 166 42.071 43.513 16.944 1.00 18.99 C +ATOM 2698 CG PRO B 166 41.361 44.770 17.314 1.00 18.24 C +ATOM 2699 CD PRO B 166 41.186 44.681 18.844 1.00 17.89 C +ATOM 2700 N GLN B 167 42.726 40.556 17.140 1.00 17.19 N +ATOM 2701 CA GLN B 167 43.745 39.508 17.096 1.00 21.20 C +ATOM 2702 C GLN B 167 44.533 39.855 15.785 1.00 22.22 C +ATOM 2703 O GLN B 167 43.926 40.018 14.729 1.00 21.57 O +ATOM 2704 CB GLN B 167 43.148 38.131 17.115 1.00 19.04 C +ATOM 2705 CG GLN B 167 42.220 37.984 18.370 1.00 18.09 C +ATOM 2706 CD GLN B 167 42.053 36.570 18.831 1.00 18.73 C +ATOM 2707 OE1 GLN B 167 42.406 35.636 18.150 1.00 18.50 O +ATOM 2708 NE2 GLN B 167 41.563 36.404 20.087 1.00 16.73 N +ATOM 2709 N PHE B 168 45.828 40.044 15.981 1.00 19.76 N +ATOM 2710 CA PHE B 168 46.656 40.615 14.888 1.00 19.53 C +ATOM 2711 C PHE B 168 47.748 39.672 14.441 1.00 21.57 C +ATOM 2712 O PHE B 168 48.556 39.242 15.256 1.00 20.81 O +ATOM 2713 CB PHE B 168 47.226 41.902 15.452 1.00 18.29 C +ATOM 2714 CG PHE B 168 48.030 42.752 14.501 1.00 19.63 C +ATOM 2715 CD1 PHE B 168 49.320 43.131 14.877 1.00 24.50 C +ATOM 2716 CD2 PHE B 168 47.504 43.233 13.330 1.00 20.67 C +ATOM 2717 CE1 PHE B 168 50.052 43.974 14.037 1.00 22.18 C +ATOM 2718 CE2 PHE B 168 48.235 44.035 12.472 1.00 22.05 C +ATOM 2719 CZ PHE B 168 49.503 44.420 12.852 1.00 21.47 C +ATOM 2720 N PHE B 169 47.709 39.307 13.144 1.00 20.67 N +ATOM 2721 CA PHE B 169 48.678 38.301 12.671 1.00 20.14 C +ATOM 2722 C PHE B 169 49.112 38.606 11.236 1.00 21.97 C +ATOM 2723 O PHE B 169 48.397 39.243 10.444 1.00 22.29 O +ATOM 2724 CB PHE B 169 47.920 36.946 12.537 1.00 22.45 C +ATOM 2725 CG PHE B 169 47.259 36.484 13.802 1.00 20.89 C +ATOM 2726 CD1 PHE B 169 45.889 36.586 13.972 1.00 24.79 C +ATOM 2727 CD2 PHE B 169 48.043 35.991 14.839 1.00 23.92 C +ATOM 2728 CE1 PHE B 169 45.305 36.194 15.167 1.00 26.16 C +ATOM 2729 CE2 PHE B 169 47.455 35.610 16.023 1.00 29.32 C +ATOM 2730 CZ PHE B 169 46.088 35.716 16.209 1.00 23.35 C +ATOM 2731 N PRO B 170 50.246 38.039 10.862 1.00 23.63 N +ATOM 2732 CA PRO B 170 50.676 38.116 9.459 1.00 24.48 C +ATOM 2733 C PRO B 170 49.581 37.437 8.614 1.00 23.89 C +ATOM 2734 O PRO B 170 49.088 36.366 8.894 1.00 25.11 O +ATOM 2735 CB PRO B 170 51.973 37.329 9.423 1.00 25.00 C +ATOM 2736 CG PRO B 170 52.477 37.405 10.826 1.00 25.74 C +ATOM 2737 CD PRO B 170 51.194 37.240 11.673 1.00 23.15 C +ATOM 2738 N ARG B 171 49.259 38.082 7.488 1.00 24.06 N +ATOM 2739 CA ARG B 171 48.198 37.651 6.603 1.00 23.74 C +ATOM 2740 C ARG B 171 48.310 36.249 6.075 1.00 24.96 C +ATOM 2741 O ARG B 171 47.372 35.439 6.184 1.00 25.17 O +ATOM 2742 CB ARG B 171 48.134 38.651 5.410 1.00 20.90 C +ATOM 2743 CG ARG B 171 46.960 38.282 4.492 1.00 28.00 C +ATOM 2744 CD ARG B 171 46.836 39.370 3.441 1.00 26.64 C +ATOM 2745 NE ARG B 171 45.994 38.930 2.332 1.00 29.31 N +ATOM 2746 CZ ARG B 171 45.792 39.797 1.297 1.00 29.57 C +ATOM 2747 NH1 ARG B 171 45.016 39.417 0.316 1.00 26.31 N +ATOM 2748 NH2 ARG B 171 46.362 40.991 1.358 1.00 31.47 N +ATOM 2749 N GLU B 172 49.468 35.890 5.536 1.00 26.86 N +ATOM 2750 CA GLU B 172 49.653 34.554 4.977 1.00 27.11 C +ATOM 2751 C GLU B 172 49.644 33.496 6.058 1.00 25.57 C +ATOM 2752 O GLU B 172 49.052 32.420 5.884 1.00 27.29 O +ATOM 2753 CB GLU B 172 50.947 34.536 4.135 1.00 36.94 C +ATOM 2754 CG GLU B 172 51.202 33.207 3.466 1.00 45.89 C +ATOM 2755 CD GLU B 172 52.288 33.230 2.408 1.00 49.45 C +ATOM 2756 OE1 GLU B 172 53.412 33.696 2.684 1.00 49.91 O +ATOM 2757 OE2 GLU B 172 51.998 32.753 1.283 1.00 53.08 O +ATOM 2758 N LEU B 173 50.314 33.786 7.178 1.00 25.52 N +ATOM 2759 CA LEU B 173 50.319 32.848 8.300 1.00 25.94 C +ATOM 2760 C LEU B 173 48.888 32.610 8.758 1.00 25.58 C +ATOM 2761 O LEU B 173 48.425 31.466 8.900 1.00 24.19 O +ATOM 2762 CB LEU B 173 51.178 33.385 9.452 1.00 30.65 C +ATOM 2763 CG LEU B 173 51.304 32.521 10.706 1.00 28.09 C +ATOM 2764 CD1 LEU B 173 51.997 31.193 10.360 1.00 34.86 C +ATOM 2765 CD2 LEU B 173 52.044 33.216 11.828 1.00 31.12 C +ATOM 2766 N LEU B 174 48.133 33.713 8.901 1.00 24.25 N +ATOM 2767 CA LEU B 174 46.749 33.504 9.360 1.00 25.71 C +ATOM 2768 C LEU B 174 45.972 32.663 8.358 1.00 22.63 C +ATOM 2769 O LEU B 174 45.189 31.779 8.697 1.00 24.63 O +ATOM 2770 CB LEU B 174 46.046 34.856 9.558 1.00 23.96 C +ATOM 2771 CG LEU B 174 44.575 34.753 9.960 1.00 23.24 C +ATOM 2772 CD1 LEU B 174 44.436 34.077 11.319 1.00 25.01 C +ATOM 2773 CD2 LEU B 174 44.007 36.189 10.070 1.00 23.00 C +ATOM 2774 N HIS B 175 46.068 33.048 7.073 1.00 22.79 N +ATOM 2775 CA HIS B 175 45.376 32.310 6.040 1.00 23.20 C +ATOM 2776 C HIS B 175 45.684 30.813 6.080 1.00 24.12 C +ATOM 2777 O HIS B 175 44.808 29.955 5.999 1.00 23.74 O +ATOM 2778 CB HIS B 175 45.800 32.868 4.669 1.00 23.45 C +ATOM 2779 CG HIS B 175 45.352 32.014 3.516 1.00 28.18 C +ATOM 2780 ND1 HIS B 175 46.044 30.874 3.152 1.00 28.03 N +ATOM 2781 CD2 HIS B 175 44.295 32.108 2.690 1.00 26.43 C +ATOM 2782 CE1 HIS B 175 45.422 30.289 2.146 1.00 30.43 C +ATOM 2783 NE2 HIS B 175 44.354 31.020 1.834 1.00 25.87 N +ATOM 2784 N ASP B 176 46.966 30.503 6.076 1.00 23.41 N +ATOM 2785 CA ASP B 176 47.412 29.110 5.998 1.00 26.12 C +ATOM 2786 C ASP B 176 46.958 28.281 7.181 1.00 27.30 C +ATOM 2787 O ASP B 176 46.493 27.151 7.061 1.00 27.59 O +ATOM 2788 CB ASP B 176 48.915 29.059 5.843 1.00 29.00 C +ATOM 2789 CG ASP B 176 49.407 29.610 4.523 1.00 29.45 C +ATOM 2790 OD1 ASP B 176 48.575 29.905 3.644 1.00 31.51 O +ATOM 2791 OD2 ASP B 176 50.654 29.769 4.404 1.00 32.98 O +ATOM 2792 N CYS B 177 47.072 28.929 8.351 1.00 28.26 N +ATOM 2793 CA CYS B 177 46.673 28.247 9.546 1.00 28.12 C +ATOM 2794 C CYS B 177 45.184 28.025 9.657 1.00 28.73 C +ATOM 2795 O CYS B 177 44.698 26.956 10.061 1.00 29.34 O +ATOM 2796 CB CYS B 177 47.193 29.041 10.753 1.00 30.02 C +ATOM 2797 SG ACYS B 177 48.936 28.945 11.122 0.65 26.98 S +ATOM 2798 SG BCYS B 177 46.439 28.285 12.154 0.35 27.47 S +ATOM 2799 N LEU B 178 44.361 29.045 9.289 1.00 26.02 N +ATOM 2800 CA LEU B 178 42.917 28.818 9.316 1.00 23.12 C +ATOM 2801 C LEU B 178 42.512 27.751 8.302 1.00 23.57 C +ATOM 2802 O LEU B 178 41.647 26.890 8.549 1.00 25.87 O +ATOM 2803 CB LEU B 178 42.155 30.117 8.952 1.00 21.00 C +ATOM 2804 CG LEU B 178 42.135 31.161 10.064 1.00 24.45 C +ATOM 2805 CD1 LEU B 178 41.544 32.449 9.489 1.00 23.01 C +ATOM 2806 CD2 LEU B 178 41.335 30.668 11.256 1.00 26.05 C +ATOM 2807 N THR B 179 43.178 27.729 7.167 1.00 24.80 N +ATOM 2808 CA THR B 179 42.895 26.707 6.143 1.00 23.81 C +ATOM 2809 C THR B 179 43.269 25.312 6.682 1.00 25.04 C +ATOM 2810 O THR B 179 42.498 24.376 6.475 1.00 27.84 O +ATOM 2811 CB THR B 179 43.666 27.016 4.868 1.00 28.28 C +ATOM 2812 OG1 THR B 179 43.278 28.369 4.423 1.00 24.91 O +ATOM 2813 CG2 THR B 179 43.416 26.014 3.766 1.00 30.07 C +ATOM 2814 N ARG B 180 44.444 25.153 7.256 1.00 26.93 N +ATOM 2815 CA ARG B 180 44.823 23.836 7.830 1.00 28.75 C +ATOM 2816 C ARG B 180 43.779 23.407 8.877 1.00 30.52 C +ATOM 2817 O ARG B 180 43.304 22.271 8.899 1.00 31.83 O +ATOM 2818 CB ARG B 180 46.163 23.959 8.551 1.00 34.37 C +ATOM 2819 CG ARG B 180 47.413 23.731 7.751 1.00 40.31 C +ATOM 2820 CD ARG B 180 48.588 23.308 8.629 1.00 43.54 C +ATOM 2821 NE ARG B 180 48.304 22.114 9.417 1.00 45.48 N +ATOM 2822 CZ ARG B 180 48.997 21.748 10.502 1.00 44.55 C +ATOM 2823 NH1 ARG B 180 48.669 20.637 11.158 1.00 41.53 N +ATOM 2824 NH2 ARG B 180 50.005 22.494 10.925 1.00 46.15 N +ATOM 2825 N ALA B 181 43.423 24.340 9.775 1.00 29.25 N +ATOM 2826 CA ALA B 181 42.448 24.055 10.814 1.00 33.19 C +ATOM 2827 C ALA B 181 41.155 23.512 10.254 1.00 34.68 C +ATOM 2828 O ALA B 181 40.608 22.517 10.774 1.00 37.49 O +ATOM 2829 CB ALA B 181 42.230 25.244 11.731 1.00 30.76 C +ATOM 2830 N LEU B 182 40.627 24.144 9.204 1.00 35.12 N +ATOM 2831 CA LEU B 182 39.410 23.683 8.570 1.00 37.24 C +ATOM 2832 C LEU B 182 39.604 22.354 7.847 1.00 37.40 C +ATOM 2833 O LEU B 182 38.807 21.437 8.056 1.00 39.95 O +ATOM 2834 CB LEU B 182 38.877 24.709 7.556 1.00 36.73 C +ATOM 2835 CG LEU B 182 38.248 25.956 8.165 1.00 35.24 C +ATOM 2836 CD1 LEU B 182 38.102 27.045 7.100 1.00 35.26 C +ATOM 2837 CD2 LEU B 182 36.908 25.614 8.820 1.00 36.21 C +ATOM 2838 N ASN B 183 40.657 22.229 7.049 1.00 36.56 N +ATOM 2839 CA ASN B 183 40.927 21.021 6.292 1.00 36.89 C +ATOM 2840 C ASN B 183 41.128 19.792 7.190 1.00 38.90 C +ATOM 2841 O ASN B 183 40.875 18.662 6.752 1.00 40.47 O +ATOM 2842 CB ASN B 183 42.171 21.193 5.412 1.00 40.22 C +ATOM 2843 CG ASN B 183 41.975 22.183 4.285 1.00 43.27 C +ATOM 2844 OD1 ASN B 183 40.838 22.539 3.963 1.00 49.70 O +ATOM 2845 ND2 ASN B 183 43.056 22.623 3.657 1.00 44.86 N +ATOM 2846 N GLU B 184 41.583 19.997 8.411 1.00 37.98 N +ATOM 2847 CA GLU B 184 41.811 18.858 9.304 1.00 41.84 C +ATOM 2848 C GLU B 184 40.719 18.704 10.331 1.00 42.48 C +ATOM 2849 O GLU B 184 40.857 17.910 11.271 1.00 45.16 O +ATOM 2850 CB GLU B 184 43.183 19.016 9.948 1.00 39.60 C +ATOM 2851 CG GLU B 184 44.296 19.009 8.902 1.00 35.82 C +ATOM 2852 CD GLU B 184 45.589 19.544 9.453 1.00 33.71 C +ATOM 2853 OE1 GLU B 184 46.410 20.023 8.649 1.00 37.30 O +ATOM 2854 OE2 GLU B 184 45.821 19.486 10.679 1.00 40.18 O +ATOM 2855 N GLY B 185 39.642 19.458 10.192 1.00 43.86 N +ATOM 2856 CA GLY B 185 38.506 19.427 11.080 1.00 45.07 C +ATOM 2857 C GLY B 185 38.855 19.688 12.526 1.00 45.84 C +ATOM 2858 O GLY B 185 38.374 19.005 13.445 1.00 47.53 O +ATOM 2859 N ALA B 186 39.707 20.666 12.785 1.00 44.53 N +ATOM 2860 CA ALA B 186 40.120 21.039 14.120 1.00 42.23 C +ATOM 2861 C ALA B 186 39.037 21.929 14.750 1.00 43.00 C +ATOM 2862 O ALA B 186 38.358 22.684 14.035 1.00 41.27 O +ATOM 2863 CB ALA B 186 41.427 21.807 14.100 1.00 43.71 C +ATOM 2864 N THR B 187 38.833 21.756 16.038 1.00 40.96 N +ATOM 2865 CA THR B 187 37.806 22.582 16.713 1.00 40.66 C +ATOM 2866 C THR B 187 38.500 23.819 17.251 1.00 39.81 C +ATOM 2867 O THR B 187 39.418 23.720 18.059 1.00 42.96 O +ATOM 2868 CB THR B 187 37.041 21.799 17.762 1.00 47.49 C +ATOM 2869 OG1 THR B 187 36.640 22.643 18.859 1.00 48.61 O +ATOM 2870 CG2 THR B 187 37.852 20.625 18.289 1.00 46.19 C +ATOM 2871 N ILE B 188 38.181 24.972 16.674 1.00 35.63 N +ATOM 2872 CA ILE B 188 38.788 26.238 17.049 1.00 33.57 C +ATOM 2873 C ILE B 188 37.775 27.256 17.551 1.00 27.33 C +ATOM 2874 O ILE B 188 36.571 27.143 17.278 1.00 28.64 O +ATOM 2875 CB ILE B 188 39.511 26.864 15.835 1.00 32.70 C +ATOM 2876 CG1 ILE B 188 38.585 26.832 14.618 1.00 37.94 C +ATOM 2877 CG2 ILE B 188 40.804 26.101 15.551 1.00 36.08 C +ATOM 2878 CD1 ILE B 188 39.140 27.602 13.421 1.00 41.27 C +ATOM 2879 N THR B 189 38.250 28.281 18.207 1.00 27.35 N +ATOM 2880 CA THR B 189 37.346 29.343 18.740 1.00 26.13 C +ATOM 2881 C THR B 189 37.792 30.675 18.154 1.00 26.24 C +ATOM 2882 O THR B 189 37.235 31.151 17.147 1.00 27.50 O +ATOM 2883 CB THR B 189 37.417 29.387 20.273 1.00 27.91 C +ATOM 2884 OG1 THR B 189 38.809 29.311 20.660 1.00 26.23 O +ATOM 2885 CG2 THR B 189 36.675 28.183 20.865 1.00 35.75 C +ATOM 2886 N ASP B 190 38.857 31.262 18.694 1.00 22.91 N +ATOM 2887 CA ASP B 190 39.323 32.529 18.116 1.00 20.68 C +ATOM 2888 C ASP B 190 40.440 32.256 17.113 1.00 21.05 C +ATOM 2889 O ASP B 190 40.798 31.087 16.867 1.00 20.81 O +ATOM 2890 CB ASP B 190 39.767 33.478 19.215 1.00 20.10 C +ATOM 2891 CG ASP B 190 40.908 32.956 20.078 1.00 20.77 C +ATOM 2892 OD1 ASP B 190 41.389 31.841 19.857 1.00 20.30 O +ATOM 2893 OD2 ASP B 190 41.296 33.721 20.976 1.00 21.46 O +ATOM 2894 N GLU B 191 40.923 33.331 16.492 1.00 19.59 N +ATOM 2895 CA GLU B 191 41.998 33.173 15.490 1.00 21.53 C +ATOM 2896 C GLU B 191 43.267 32.697 16.173 1.00 23.12 C +ATOM 2897 O GLU B 191 44.019 31.894 15.620 1.00 23.35 O +ATOM 2898 CB GLU B 191 42.247 34.495 14.748 1.00 19.22 C +ATOM 2899 CG GLU B 191 41.133 34.846 13.758 1.00 19.39 C +ATOM 2900 CD GLU B 191 39.850 35.243 14.469 1.00 21.22 C +ATOM 2901 OE1 GLU B 191 39.912 35.938 15.504 1.00 25.80 O +ATOM 2902 OE2 GLU B 191 38.792 34.807 14.004 1.00 23.14 O +ATOM 2903 N ALA B 192 43.481 33.138 17.440 1.00 21.39 N +ATOM 2904 CA ALA B 192 44.704 32.642 18.110 1.00 21.04 C +ATOM 2905 C ALA B 192 44.668 31.132 18.243 1.00 21.62 C +ATOM 2906 O ALA B 192 45.749 30.494 18.114 1.00 23.97 O +ATOM 2907 CB ALA B 192 44.809 33.305 19.468 1.00 17.59 C +ATOM 2908 N SER B 193 43.506 30.541 18.471 1.00 19.90 N +ATOM 2909 CA SER B 193 43.374 29.083 18.632 1.00 23.09 C +ATOM 2910 C SER B 193 43.780 28.349 17.361 1.00 26.49 C +ATOM 2911 O SER B 193 44.320 27.226 17.411 1.00 22.41 O +ATOM 2912 CB SER B 193 42.010 28.653 19.122 1.00 26.76 C +ATOM 2913 OG SER B 193 41.004 28.757 18.096 1.00 25.70 O +ATOM 2914 N ALA B 194 43.514 28.961 16.212 1.00 24.82 N +ATOM 2915 CA ALA B 194 43.978 28.368 14.960 1.00 27.43 C +ATOM 2916 C ALA B 194 45.508 28.416 14.980 1.00 27.04 C +ATOM 2917 O ALA B 194 46.129 27.406 14.516 1.00 27.31 O +ATOM 2918 CB ALA B 194 43.419 29.172 13.779 1.00 25.45 C +ATOM 2919 N LEU B 195 46.138 29.527 15.299 1.00 24.81 N +ATOM 2920 CA LEU B 195 47.613 29.622 15.300 1.00 26.06 C +ATOM 2921 C LEU B 195 48.196 28.587 16.252 1.00 27.78 C +ATOM 2922 O LEU B 195 49.241 27.937 15.982 1.00 29.41 O +ATOM 2923 CB LEU B 195 48.127 30.993 15.629 1.00 25.57 C +ATOM 2924 CG LEU B 195 48.384 32.036 14.544 1.00 31.79 C +ATOM 2925 CD1 LEU B 195 49.557 31.648 13.679 1.00 34.20 C +ATOM 2926 CD2 LEU B 195 47.138 32.265 13.684 1.00 27.31 C +ATOM 2927 N GLU B 196 47.568 28.475 17.410 1.00 25.78 N +ATOM 2928 CA GLU B 196 47.987 27.501 18.418 1.00 26.39 C +ATOM 2929 C GLU B 196 47.896 26.104 17.839 1.00 27.44 C +ATOM 2930 O GLU B 196 48.876 25.357 17.964 1.00 26.27 O +ATOM 2931 CB GLU B 196 47.068 27.605 19.656 1.00 27.02 C +ATOM 2932 CG GLU B 196 47.221 28.942 20.376 1.00 25.65 C +ATOM 2933 CD GLU B 196 45.975 29.264 21.213 1.00 25.99 C +ATOM 2934 OE1 GLU B 196 45.356 28.326 21.723 1.00 25.91 O +ATOM 2935 OE2 GLU B 196 45.636 30.456 21.297 1.00 25.43 O +ATOM 2936 N TYR B 197 46.797 25.763 17.165 1.00 26.73 N +ATOM 2937 CA TYR B 197 46.628 24.475 16.520 1.00 28.41 C +ATOM 2938 C TYR B 197 47.770 24.171 15.567 1.00 31.32 C +ATOM 2939 O TYR B 197 48.186 22.982 15.457 1.00 30.51 O +ATOM 2940 CB TYR B 197 45.324 24.352 15.725 1.00 28.75 C +ATOM 2941 CG TYR B 197 45.189 23.040 14.973 1.00 30.20 C +ATOM 2942 CD1 TYR B 197 45.380 22.988 13.598 1.00 27.55 C +ATOM 2943 CD2 TYR B 197 44.936 21.849 15.658 1.00 32.93 C +ATOM 2944 CE1 TYR B 197 45.272 21.792 12.908 1.00 28.62 C +ATOM 2945 CE2 TYR B 197 44.842 20.648 14.959 1.00 33.00 C +ATOM 2946 CZ TYR B 197 45.042 20.625 13.610 1.00 32.12 C +ATOM 2947 OH TYR B 197 44.934 19.441 12.897 1.00 33.43 O +ATOM 2948 N CYS B 198 48.273 25.170 14.879 1.00 31.58 N +ATOM 2949 CA CYS B 198 49.377 25.032 13.946 1.00 33.09 C +ATOM 2950 C CYS B 198 50.743 25.030 14.570 1.00 33.85 C +ATOM 2951 O CYS B 198 51.750 24.974 13.851 1.00 31.95 O +ATOM 2952 CB CYS B 198 49.244 26.096 12.833 1.00 38.89 C +ATOM 2953 SG CYS B 198 47.686 25.731 11.943 1.00 37.37 S +ATOM 2954 N GLY B 199 50.817 25.109 15.899 1.00 30.75 N +ATOM 2955 CA GLY B 199 52.078 25.038 16.615 1.00 31.41 C +ATOM 2956 C GLY B 199 52.676 26.314 17.034 1.00 31.51 C +ATOM 2957 O GLY B 199 53.815 26.381 17.538 1.00 35.04 O +ATOM 2958 N PHE B 200 51.926 27.442 16.923 1.00 26.45 N +ATOM 2959 CA PHE B 200 52.482 28.734 17.294 1.00 25.45 C +ATOM 2960 C PHE B 200 52.020 29.249 18.644 1.00 25.08 C +ATOM 2961 O PHE B 200 51.084 28.713 19.239 1.00 24.53 O +ATOM 2962 CB PHE B 200 52.115 29.760 16.177 1.00 28.40 C +ATOM 2963 CG PHE B 200 52.746 29.364 14.854 1.00 31.10 C +ATOM 2964 CD1 PHE B 200 54.088 29.531 14.635 1.00 33.82 C +ATOM 2965 CD2 PHE B 200 51.949 28.831 13.853 1.00 33.66 C +ATOM 2966 CE1 PHE B 200 54.661 29.175 13.412 1.00 32.75 C +ATOM 2967 CE2 PHE B 200 52.501 28.493 12.632 1.00 35.54 C +ATOM 2968 CZ PHE B 200 53.856 28.681 12.431 1.00 32.72 C +ATOM 2969 N HIS B 201 52.665 30.288 19.171 1.00 26.79 N +ATOM 2970 CA HIS B 201 52.348 30.853 20.484 1.00 27.68 C +ATOM 2971 C HIS B 201 52.242 32.338 20.455 1.00 27.61 C +ATOM 2972 O HIS B 201 53.160 33.102 20.808 1.00 27.28 O +ATOM 2973 CB HIS B 201 53.525 30.430 21.464 1.00 27.41 C +ATOM 2974 CG HIS B 201 53.465 28.940 21.674 1.00 29.45 C +ATOM 2975 ND1 HIS B 201 54.279 28.092 20.911 1.00 35.96 N +ATOM 2976 CD2 HIS B 201 52.705 28.137 22.423 1.00 22.89 C +ATOM 2977 CE1 HIS B 201 54.000 26.838 21.239 1.00 29.02 C +ATOM 2978 NE2 HIS B 201 53.071 26.832 22.152 1.00 32.79 N +ATOM 2979 N PRO B 202 51.094 32.876 19.975 1.00 26.48 N +ATOM 2980 CA PRO B 202 50.916 34.301 19.861 1.00 27.43 C +ATOM 2981 C PRO B 202 51.103 35.084 21.131 1.00 27.40 C +ATOM 2982 O PRO B 202 50.789 34.638 22.238 1.00 27.08 O +ATOM 2983 CB PRO B 202 49.504 34.443 19.290 1.00 25.66 C +ATOM 2984 CG PRO B 202 49.179 33.124 18.683 1.00 27.20 C +ATOM 2985 CD PRO B 202 49.936 32.092 19.525 1.00 26.74 C +ATOM 2986 N GLN B 203 51.548 36.327 21.035 1.00 28.06 N +ATOM 2987 CA GLN B 203 51.770 37.181 22.182 1.00 27.20 C +ATOM 2988 C GLN B 203 50.463 37.631 22.831 1.00 29.38 C +ATOM 2989 O GLN B 203 49.417 37.750 22.178 1.00 27.60 O +ATOM 2990 CB GLN B 203 52.509 38.469 21.736 1.00 34.62 C +ATOM 2991 CG GLN B 203 53.954 38.251 21.321 1.00 40.01 C +ATOM 2992 CD GLN B 203 54.773 37.782 22.524 1.00 45.72 C +ATOM 2993 OE1 GLN B 203 54.830 38.507 23.517 1.00 47.15 O +ATOM 2994 NE2 GLN B 203 55.293 36.567 22.432 1.00 49.28 N +ATOM 2995 N LEU B 204 50.539 37.818 24.153 1.00 26.21 N +ATOM 2996 CA LEU B 204 49.424 38.364 24.907 1.00 24.70 C +ATOM 2997 C LEU B 204 49.733 39.845 25.157 1.00 27.12 C +ATOM 2998 O LEU B 204 50.804 40.171 25.715 1.00 27.91 O +ATOM 2999 CB LEU B 204 49.198 37.645 26.220 1.00 24.96 C +ATOM 3000 CG LEU B 204 48.829 36.164 26.099 1.00 27.42 C +ATOM 3001 CD1 LEU B 204 49.160 35.464 27.422 1.00 28.99 C +ATOM 3002 CD2 LEU B 204 47.357 36.001 25.786 1.00 24.90 C +ATOM 3003 N VAL B 205 48.974 40.728 24.543 1.00 22.22 N +ATOM 3004 CA VAL B 205 49.189 42.170 24.751 1.00 23.36 C +ATOM 3005 C VAL B 205 48.091 42.606 25.712 1.00 24.48 C +ATOM 3006 O VAL B 205 46.908 42.504 25.425 1.00 23.20 O +ATOM 3007 CB VAL B 205 49.121 42.989 23.464 1.00 23.02 C +ATOM 3008 CG1 VAL B 205 49.291 44.462 23.724 1.00 25.29 C +ATOM 3009 CG2 VAL B 205 50.185 42.479 22.471 1.00 24.95 C +ATOM 3010 N GLU B 206 48.520 43.040 26.914 1.00 23.25 N +ATOM 3011 CA GLU B 206 47.484 43.404 27.883 1.00 21.95 C +ATOM 3012 C GLU B 206 46.687 44.617 27.461 1.00 24.23 C +ATOM 3013 O GLU B 206 47.216 45.674 27.097 1.00 26.51 O +ATOM 3014 CB GLU B 206 48.075 43.640 29.284 1.00 27.61 C +ATOM 3015 CG GLU B 206 46.942 43.979 30.267 1.00 27.86 C +ATOM 3016 CD GLU B 206 47.446 43.980 31.714 1.00 34.04 C +ATOM 3017 OE1 GLU B 206 46.622 44.291 32.581 1.00 32.66 O +ATOM 3018 OE2 GLU B 206 48.642 43.706 31.931 1.00 32.92 O +ATOM 3019 N GLY B 207 45.353 44.457 27.459 1.00 22.13 N +ATOM 3020 CA GLY B 207 44.448 45.503 27.084 1.00 25.60 C +ATOM 3021 C GLY B 207 43.455 45.784 28.190 1.00 24.49 C +ATOM 3022 O GLY B 207 43.434 45.017 29.188 1.00 27.11 O +ATOM 3023 N ARG B 208 42.684 46.840 28.057 1.00 24.40 N +ATOM 3024 CA ARG B 208 41.700 47.191 29.066 1.00 23.76 C +ATOM 3025 C ARG B 208 40.621 46.111 29.172 1.00 27.02 C +ATOM 3026 O ARG B 208 40.125 45.606 28.201 1.00 24.97 O +ATOM 3027 CB ARG B 208 41.027 48.510 28.753 1.00 27.10 C +ATOM 3028 CG ARG B 208 41.950 49.705 28.628 1.00 25.67 C +ATOM 3029 CD ARG B 208 41.243 50.800 27.832 1.00 33.79 C +ATOM 3030 NE ARG B 208 40.029 51.258 28.535 1.00 33.51 N +ATOM 3031 CZ ARG B 208 40.031 52.460 29.138 1.00 41.99 C +ATOM 3032 NH1 ARG B 208 38.960 52.910 29.766 1.00 42.30 N +ATOM 3033 NH2 ARG B 208 41.147 53.192 29.099 1.00 43.59 N +ATOM 3034 N ALA B 209 40.215 45.812 30.433 1.00 24.03 N +ATOM 3035 CA ALA B 209 39.167 44.828 30.647 1.00 24.53 C +ATOM 3036 C ALA B 209 37.799 45.318 30.253 1.00 23.71 C +ATOM 3037 O ALA B 209 36.844 44.527 30.126 1.00 24.48 O +ATOM 3038 CB ALA B 209 39.191 44.401 32.138 1.00 24.29 C +ATOM 3039 N ASP B 210 37.623 46.645 30.031 1.00 23.37 N +ATOM 3040 CA ASP B 210 36.317 47.157 29.618 1.00 23.57 C +ATOM 3041 C ASP B 210 36.066 47.038 28.125 1.00 22.86 C +ATOM 3042 O ASP B 210 35.062 47.517 27.583 1.00 21.93 O +ATOM 3043 CB ASP B 210 36.071 48.556 30.133 1.00 26.39 C +ATOM 3044 CG ASP B 210 36.946 49.632 29.570 1.00 32.67 C +ATOM 3045 OD1 ASP B 210 36.758 50.815 30.021 1.00 37.24 O +ATOM 3046 OD2 ASP B 210 37.831 49.388 28.731 1.00 30.54 O +ATOM 3047 N ASN B 211 36.965 46.338 27.429 1.00 20.62 N +ATOM 3048 CA ASN B 211 36.760 46.038 25.980 1.00 19.54 C +ATOM 3049 C ASN B 211 35.902 44.770 25.942 1.00 23.51 C +ATOM 3050 O ASN B 211 36.270 43.693 25.472 1.00 24.02 O +ATOM 3051 CB ASN B 211 38.161 45.759 25.390 1.00 20.91 C +ATOM 3052 CG ASN B 211 38.143 45.371 23.926 1.00 22.66 C +ATOM 3053 OD1 ASN B 211 37.162 45.565 23.230 1.00 22.16 O +ATOM 3054 ND2 ASN B 211 39.278 44.819 23.447 1.00 19.21 N +ATOM 3055 N ILE B 212 34.631 44.939 26.409 1.00 22.40 N +ATOM 3056 CA ILE B 212 33.736 43.813 26.503 1.00 23.52 C +ATOM 3057 C ILE B 212 33.010 43.415 25.242 1.00 23.36 C +ATOM 3058 O ILE B 212 32.800 44.212 24.334 1.00 23.20 O +ATOM 3059 CB ILE B 212 32.651 44.080 27.591 1.00 27.53 C +ATOM 3060 CG1 ILE B 212 31.804 45.278 27.191 1.00 29.25 C +ATOM 3061 CG2 ILE B 212 33.369 44.279 28.919 1.00 29.89 C +ATOM 3062 CD1 ILE B 212 30.593 45.580 28.025 1.00 36.08 C +ATOM 3063 N LYS B 213 32.531 42.176 25.248 1.00 22.10 N +ATOM 3064 CA LYS B 213 31.728 41.690 24.123 1.00 24.36 C +ATOM 3065 C LYS B 213 30.234 41.759 24.496 1.00 28.24 C +ATOM 3066 O LYS B 213 29.864 41.182 25.526 1.00 29.96 O +ATOM 3067 CB LYS B 213 32.117 40.257 23.783 1.00 26.38 C +ATOM 3068 CG LYS B 213 31.465 39.730 22.502 1.00 27.58 C +ATOM 3069 CD LYS B 213 32.005 38.309 22.187 1.00 32.50 C +ATOM 3070 CE LYS B 213 31.235 37.787 20.964 1.00 35.80 C +ATOM 3071 NZ LYS B 213 31.567 36.352 20.701 1.00 45.63 N +ATOM 3072 N VAL B 214 29.420 42.342 23.648 1.00 29.26 N +ATOM 3073 CA VAL B 214 27.968 42.435 23.899 1.00 29.19 C +ATOM 3074 C VAL B 214 27.290 41.157 23.390 1.00 31.42 C +ATOM 3075 O VAL B 214 27.219 40.916 22.176 1.00 30.25 O +ATOM 3076 CB VAL B 214 27.386 43.672 23.235 1.00 28.04 C +ATOM 3077 CG1 VAL B 214 25.859 43.767 23.488 1.00 29.05 C +ATOM 3078 CG2 VAL B 214 28.050 44.936 23.763 1.00 23.27 C +ATOM 3079 N THR B 215 26.901 40.280 24.331 1.00 32.33 N +ATOM 3080 CA THR B 215 26.269 39.022 23.938 1.00 35.39 C +ATOM 3081 C THR B 215 24.881 38.827 24.541 1.00 38.57 C +ATOM 3082 O THR B 215 24.099 38.017 23.997 1.00 40.30 O +ATOM 3083 CB THR B 215 27.130 37.800 24.255 1.00 37.50 C +ATOM 3084 OG1 THR B 215 27.429 37.682 25.630 1.00 38.54 O +ATOM 3085 CG2 THR B 215 28.458 37.843 23.493 1.00 41.22 C +ATOM 3086 N ARG B 216 24.560 39.507 25.600 1.00 37.64 N +ATOM 3087 CA ARG B 216 23.263 39.406 26.274 1.00 42.98 C +ATOM 3088 C ARG B 216 22.670 40.798 26.396 1.00 42.38 C +ATOM 3089 O ARG B 216 23.393 41.801 26.349 1.00 41.74 O +ATOM 3090 CB ARG B 216 23.385 38.697 27.617 1.00 41.30 C +ATOM 3091 CG ARG B 216 23.344 37.176 27.519 1.00 47.09 C +ATOM 3092 CD ARG B 216 21.927 36.682 27.224 1.00 49.60 C +ATOM 3093 N PRO B 217 21.367 40.894 26.620 1.00 44.29 N +ATOM 3094 CA PRO B 217 20.684 42.167 26.717 1.00 43.60 C +ATOM 3095 C PRO B 217 21.210 43.110 27.749 1.00 42.40 C +ATOM 3096 O PRO B 217 21.248 44.339 27.522 1.00 43.26 O +ATOM 3097 CB PRO B 217 19.222 41.811 26.891 1.00 44.08 C +ATOM 3098 CG PRO B 217 19.178 40.385 27.281 1.00 46.34 C +ATOM 3099 CD PRO B 217 20.431 39.747 26.737 1.00 45.51 C +ATOM 3100 N GLU B 218 21.745 42.634 28.876 1.00 42.73 N +ATOM 3101 CA GLU B 218 22.266 43.545 29.900 1.00 42.42 C +ATOM 3102 C GLU B 218 23.612 44.150 29.540 1.00 41.62 C +ATOM 3103 O GLU B 218 24.040 45.153 30.111 1.00 39.32 O +ATOM 3104 CB GLU B 218 22.414 42.770 31.221 1.00 49.86 C +ATOM 3105 CG GLU B 218 23.252 41.518 31.087 1.00 51.71 C +ATOM 3106 CD GLU B 218 22.472 40.267 30.764 1.00 54.13 C +ATOM 3107 OE1 GLU B 218 22.971 39.163 31.114 1.00 52.69 O +ATOM 3108 OE2 GLU B 218 21.381 40.349 30.156 1.00 53.22 O +ATOM 3109 N ASP B 219 24.325 43.522 28.598 1.00 40.16 N +ATOM 3110 CA ASP B 219 25.640 43.992 28.181 1.00 37.40 C +ATOM 3111 C ASP B 219 25.575 45.323 27.474 1.00 36.87 C +ATOM 3112 O ASP B 219 26.552 46.082 27.430 1.00 38.94 O +ATOM 3113 CB ASP B 219 26.308 42.945 27.270 1.00 37.04 C +ATOM 3114 CG ASP B 219 26.636 41.644 27.936 1.00 36.99 C +ATOM 3115 OD1 ASP B 219 26.759 41.566 29.172 1.00 41.41 O +ATOM 3116 OD2 ASP B 219 26.775 40.611 27.235 1.00 39.22 O +ATOM 3117 N LEU B 220 24.435 45.646 26.878 1.00 33.85 N +ATOM 3118 CA LEU B 220 24.201 46.856 26.161 1.00 35.44 C +ATOM 3119 C LEU B 220 24.307 48.095 27.030 1.00 36.94 C +ATOM 3120 O LEU B 220 24.935 49.088 26.676 1.00 36.09 O +ATOM 3121 CB LEU B 220 22.825 46.831 25.468 1.00 37.78 C +ATOM 3122 CG LEU B 220 22.649 47.937 24.413 1.00 42.55 C +ATOM 3123 CD1 LEU B 220 23.464 47.607 23.173 1.00 42.92 C +ATOM 3124 CD2 LEU B 220 21.177 48.127 24.061 1.00 45.25 C +ATOM 3125 N ALA B 221 23.678 48.047 28.224 1.00 37.10 N +ATOM 3126 CA ALA B 221 23.785 49.239 29.096 1.00 36.17 C +ATOM 3127 C ALA B 221 25.206 49.409 29.602 1.00 33.64 C +ATOM 3128 O ALA B 221 25.688 50.547 29.717 1.00 33.97 O +ATOM 3129 CB ALA B 221 22.781 49.165 30.222 1.00 36.66 C +ATOM 3130 N LEU B 222 25.888 48.310 29.893 1.00 33.19 N +ATOM 3131 CA LEU B 222 27.268 48.328 30.369 1.00 32.43 C +ATOM 3132 C LEU B 222 28.194 48.923 29.296 1.00 31.78 C +ATOM 3133 O LEU B 222 29.105 49.680 29.577 1.00 30.45 O +ATOM 3134 CB LEU B 222 27.740 46.918 30.657 1.00 37.53 C +ATOM 3135 CG LEU B 222 28.752 46.608 31.718 1.00 41.87 C +ATOM 3136 CD1 LEU B 222 29.547 45.346 31.370 1.00 40.15 C +ATOM 3137 CD2 LEU B 222 29.673 47.743 32.092 1.00 42.42 C +ATOM 3138 N ALA B 223 27.985 48.451 28.055 1.00 30.60 N +ATOM 3139 CA ALA B 223 28.781 49.006 26.939 1.00 29.03 C +ATOM 3140 C ALA B 223 28.538 50.496 26.811 1.00 28.27 C +ATOM 3141 O ALA B 223 29.454 51.311 26.608 1.00 30.46 O +ATOM 3142 CB ALA B 223 28.408 48.256 25.669 1.00 25.90 C +ATOM 3143 N GLU B 224 27.286 50.931 26.949 1.00 31.52 N +ATOM 3144 CA GLU B 224 26.979 52.369 26.862 1.00 31.56 C +ATOM 3145 C GLU B 224 27.717 53.147 27.931 1.00 29.88 C +ATOM 3146 O GLU B 224 28.335 54.197 27.708 1.00 31.87 O +ATOM 3147 CB GLU B 224 25.466 52.565 26.996 1.00 37.59 C +ATOM 3148 CG GLU B 224 25.063 54.034 27.081 1.00 44.16 C +ATOM 3149 CD GLU B 224 23.570 54.227 26.910 1.00 47.33 C +ATOM 3150 OE1 GLU B 224 22.784 53.552 27.611 1.00 50.27 O +ATOM 3151 OE2 GLU B 224 23.177 55.063 26.075 1.00 51.35 O +ATOM 3152 N PHE B 225 27.666 52.638 29.170 1.00 30.09 N +ATOM 3153 CA PHE B 225 28.365 53.271 30.272 1.00 28.56 C +ATOM 3154 C PHE B 225 29.837 53.456 29.946 1.00 30.69 C +ATOM 3155 O PHE B 225 30.411 54.533 30.097 1.00 30.12 O +ATOM 3156 CB PHE B 225 28.229 52.376 31.530 1.00 32.18 C +ATOM 3157 CG PHE B 225 29.101 52.873 32.653 1.00 33.99 C +ATOM 3158 CD1 PHE B 225 30.303 52.269 32.930 1.00 35.20 C +ATOM 3159 CD2 PHE B 225 28.714 53.989 33.393 1.00 34.92 C +ATOM 3160 CE1 PHE B 225 31.123 52.733 33.953 1.00 35.63 C +ATOM 3161 CE2 PHE B 225 29.529 54.453 34.415 1.00 37.07 C +ATOM 3162 CZ PHE B 225 30.729 53.833 34.694 1.00 36.18 C +ATOM 3163 N TYR B 226 30.474 52.384 29.436 1.00 28.96 N +ATOM 3164 CA TYR B 226 31.882 52.455 29.097 1.00 31.03 C +ATOM 3165 C TYR B 226 32.136 53.438 27.968 1.00 31.82 C +ATOM 3166 O TYR B 226 33.145 54.149 27.985 1.00 33.80 O +ATOM 3167 CB TYR B 226 32.419 51.070 28.686 1.00 33.05 C +ATOM 3168 CG TYR B 226 32.639 50.091 29.814 1.00 32.81 C +ATOM 3169 CD1 TYR B 226 32.472 48.728 29.613 1.00 32.54 C +ATOM 3170 CD2 TYR B 226 33.059 50.524 31.071 1.00 35.25 C +ATOM 3171 CE1 TYR B 226 32.671 47.817 30.635 1.00 33.32 C +ATOM 3172 CE2 TYR B 226 33.250 49.620 32.112 1.00 37.05 C +ATOM 3173 CZ TYR B 226 33.068 48.278 31.880 1.00 35.34 C +ATOM 3174 OH TYR B 226 33.280 47.365 32.889 1.00 34.35 O +ATOM 3175 N LEU B 227 31.236 53.491 26.990 1.00 33.27 N +ATOM 3176 CA LEU B 227 31.445 54.366 25.833 1.00 38.92 C +ATOM 3177 C LEU B 227 31.425 55.825 26.225 1.00 42.86 C +ATOM 3178 O LEU B 227 32.315 56.605 25.858 1.00 43.34 O +ATOM 3179 CB LEU B 227 30.466 54.042 24.708 1.00 36.13 C +ATOM 3180 CG LEU B 227 30.936 52.959 23.725 1.00 37.39 C +ATOM 3181 CD1 LEU B 227 30.006 52.878 22.523 1.00 37.56 C +ATOM 3182 CD2 LEU B 227 32.365 53.243 23.254 1.00 37.00 C +ATOM 3183 N THR B 228 30.460 56.175 27.076 1.00 43.63 N +ATOM 3184 CA THR B 228 30.386 57.552 27.601 1.00 49.66 C +ATOM 3185 C THR B 228 31.677 57.823 28.380 1.00 52.25 C +ATOM 3186 O THR B 228 32.184 58.940 28.408 1.00 53.68 O +ATOM 3187 CB THR B 228 29.139 57.696 28.470 1.00 50.53 C +ATOM 3188 OG1 THR B 228 28.001 57.344 27.644 1.00 53.11 O +ATOM 3189 CG2 THR B 228 28.980 59.105 28.997 1.00 50.51 C +ATOM 3190 N ARG B 229 32.266 56.762 28.885 1.00 54.68 N +ATOM 3191 CA ARG B 229 33.492 56.608 29.584 1.00 56.72 C +ATOM 3192 C ARG B 229 33.404 56.995 31.048 1.00 57.71 C +ATOM 3193 O ARG B 229 32.426 56.609 31.727 1.00 60.59 O +ATOM 3194 CB ARG B 229 34.675 57.249 28.868 1.00 53.75 C +ATOM 3195 CG ARG B 229 34.973 56.768 27.472 1.00 56.74 C +ATOM 3196 CD ARG B 229 35.798 55.503 27.403 1.00 55.81 C +TER 3197 ARG B 229 +HETATM 3198 O HOH A 237 33.923 36.238 30.793 1.00 24.25 O +HETATM 3199 O HOH A 238 26.379 30.591 68.091 1.00 24.07 O +HETATM 3200 O HOH A 239 39.282 22.933 44.114 1.00 26.95 O +HETATM 3201 O HOH A 240 28.500 43.599 44.238 1.00 25.77 O +HETATM 3202 O HOH A 241 25.473 41.279 68.942 1.00 22.02 O +HETATM 3203 O HOH A 242 25.033 37.922 41.220 1.00 24.80 O +HETATM 3204 O HOH A 243 36.037 19.689 61.785 1.00 27.56 O +HETATM 3205 O HOH A 244 44.175 16.957 54.884 1.00 29.46 O +HETATM 3206 O HOH A 245 38.173 29.013 25.928 1.00 28.22 O +HETATM 3207 O HOH A 246 24.360 42.064 41.294 1.00 31.37 O +HETATM 3208 O HOH A 247 25.162 36.062 34.676 1.00 32.82 O +HETATM 3209 O HOH A 248 35.590 40.472 27.608 1.00 26.19 O +HETATM 3210 O HOH A 249 28.934 17.489 47.676 1.00 28.13 O +HETATM 3211 O HOH A 250 33.108 28.707 64.587 1.00 26.02 O +HETATM 3212 O HOH A 251 31.048 40.449 38.414 1.00 30.90 O +HETATM 3213 O HOH A 252 41.921 17.873 49.959 1.00 25.73 O +HETATM 3214 O HOH A 253 17.804 28.284 60.805 1.00 28.97 O +HETATM 3215 O HOH A 254 22.617 40.457 65.048 1.00 26.41 O +HETATM 3216 O HOH A 255 38.637 19.144 62.472 1.00 31.87 O +HETATM 3217 O HOH A 256 35.022 31.392 71.077 1.00 33.78 O +HETATM 3218 O HOH A 257 38.439 39.686 56.989 1.00 43.86 O +HETATM 3219 O HOH A 258 40.495 23.777 47.893 1.00 28.21 O +HETATM 3220 O HOH A 259 30.094 43.924 35.578 1.00 40.57 O +HETATM 3221 O HOH A 260 18.991 40.996 65.982 1.00 29.61 O +HETATM 3222 O HOH A 261 29.095 26.845 63.800 1.00 30.45 O +HETATM 3223 O HOH A 262 25.690 20.297 44.674 1.00 33.18 O +HETATM 3224 O HOH A 263 22.873 39.948 42.064 1.00 27.81 O +HETATM 3225 O HOH A 264 22.848 46.107 46.067 1.00 29.20 O +HETATM 3226 O HOH A 265 29.479 36.658 32.801 1.00 36.39 O +HETATM 3227 O HOH A 266 36.737 43.979 66.624 1.00 35.16 O +HETATM 3228 O HOH A 267 16.379 41.286 57.431 1.00 30.78 O +HETATM 3229 O HOH A 268 25.277 20.224 57.651 1.00 28.68 O +HETATM 3230 O HOH A 269 29.731 18.331 58.913 1.00 33.99 O +HETATM 3231 O HOH A 270 35.009 20.860 64.139 1.00 34.49 O +HETATM 3232 O HOH A 271 35.390 33.917 71.278 1.00 30.74 O +HETATM 3233 O HOH A 272 34.953 36.921 46.285 1.00 47.25 O +HETATM 3234 O HOH A 273 24.418 19.102 55.166 1.00 30.98 O +HETATM 3235 O HOH A 274 34.781 40.683 52.850 1.00 30.36 O +HETATM 3236 O HOH A 275 31.958 37.947 37.478 1.00 32.07 O +HETATM 3237 O HOH A 276 30.879 29.218 30.311 1.00 38.68 O +HETATM 3238 O HOH A 277 30.719 27.846 65.801 1.00 33.84 O +HETATM 3239 O HOH A 278 46.031 25.343 31.680 1.00 31.63 O +HETATM 3240 O HOH A 279 28.209 24.644 34.019 1.00 29.37 O +HETATM 3241 O HOH A 280 34.556 41.977 40.395 1.00 36.71 O +HETATM 3242 O HOH A 281 22.588 50.103 48.476 1.00 50.81 O +HETATM 3243 O HOH A 282 13.831 30.976 50.553 1.00 35.10 O +HETATM 3244 O HOH A 283 51.340 30.418 33.182 1.00 35.83 O +HETATM 3245 O HOH A 284 41.087 21.290 47.090 1.00 33.17 O +HETATM 3246 O HOH A 285 19.222 44.390 46.768 1.00 41.43 O +HETATM 3247 O HOH A 286 26.891 37.021 32.642 1.00 33.88 O +HETATM 3248 O HOH A 287 22.547 47.414 48.540 1.00 44.39 O +HETATM 3249 O HOH A 288 36.826 27.271 24.574 1.00 40.41 O +HETATM 3250 O HOH A 289 28.628 24.084 64.191 1.00 40.20 O +HETATM 3251 O HOH A 290 34.968 17.273 62.018 1.00 35.89 O +HETATM 3252 O HOH A 291 17.261 39.909 64.124 1.00 30.02 O +HETATM 3253 O HOH A 292 35.197 42.189 50.247 1.00 37.47 O +HETATM 3254 O HOH A 293 12.822 34.254 48.629 1.00 37.99 O +HETATM 3255 O HOH A 294 36.956 13.763 51.517 1.00 28.05 O +HETATM 3256 O HOH A 295 29.137 56.381 37.863 1.00 36.24 O +HETATM 3257 O HOH A 296 21.745 28.885 37.651 1.00 39.21 O +HETATM 3258 O HOH A 297 14.306 39.814 58.280 1.00 47.47 O +HETATM 3259 O HOH A 298 36.893 34.673 68.015 1.00 34.52 O +HETATM 3260 O HOH A 299 29.982 27.999 32.279 1.00 40.49 O +HETATM 3261 O HOH A 300 37.528 37.817 70.114 1.00 42.54 O +HETATM 3262 O HOH A 301 38.570 54.296 52.519 1.00 39.93 O +HETATM 3263 O HOH A 302 26.070 43.741 33.268 1.00 39.38 O +HETATM 3264 O HOH A 303 22.705 54.935 39.478 1.00 52.96 O +HETATM 3265 O HOH A 304 20.846 52.612 38.442 1.00 63.47 O +HETATM 3266 O HOH A 305 14.491 34.954 42.428 1.00 48.64 O +HETATM 3267 O HOH A 306 44.559 29.859 53.191 1.00 47.40 O +HETATM 3268 O HOH A 307 23.730 48.152 69.433 1.00 44.15 O +HETATM 3269 O HOH A 308 14.163 31.954 48.045 1.00 32.61 O +HETATM 3270 O HOH A 309 41.538 28.088 46.986 1.00 34.42 O +HETATM 3271 O HOH A 310 36.706 25.697 64.769 1.00 36.22 O +HETATM 3272 O HOH A 311 53.166 32.368 34.061 1.00 51.13 O +HETATM 3273 O HOH A 312 23.839 52.491 56.783 1.00 55.43 O +HETATM 3274 O HOH A 313 29.804 30.090 70.057 1.00 32.81 O +HETATM 3275 O HOH A 314 17.114 35.757 39.565 1.00 43.08 O +HETATM 3276 O HOH A 315 31.483 34.449 50.425 1.00 34.86 O +HETATM 3277 O HOH A 316 16.741 37.482 65.137 1.00 38.73 O +HETATM 3278 O HOH A 317 19.853 21.931 44.903 1.00 39.51 O +HETATM 3279 O HOH A 318 26.868 18.413 58.715 1.00 34.88 O +HETATM 3280 O HOH A 319 12.505 36.455 43.611 1.00 46.75 O +HETATM 3281 O HOH A 320 22.153 29.278 34.825 1.00 43.66 O +HETATM 3282 O HOH A 321 35.251 46.261 67.652 1.00 39.02 O +HETATM 3283 O HOH A 322 36.837 38.084 43.567 1.00 43.81 O +HETATM 3284 O HOH A 323 34.046 21.497 45.048 1.00 35.29 O +HETATM 3285 O HOH A 324 40.057 34.314 65.024 1.00 57.18 O +HETATM 3286 O HOH A 325 17.101 43.986 43.812 1.00 39.39 O +HETATM 3287 O HOH A 326 33.322 39.654 40.809 1.00 41.38 O +HETATM 3288 O HOH B 237 34.529 46.233 23.434 1.00 20.41 O +HETATM 3289 O HOH B 238 41.411 45.348 25.449 1.00 22.58 O +HETATM 3290 O HOH B 239 35.315 52.345 21.269 1.00 26.07 O +HETATM 3291 O HOH B 240 41.348 33.493 2.026 1.00 25.61 O +HETATM 3292 O HOH B 241 37.316 35.697 23.652 1.00 24.41 O +HETATM 3293 O HOH B 242 38.171 49.147 26.014 1.00 24.88 O +HETATM 3294 O HOH B 243 35.863 37.011 21.550 1.00 27.27 O +HETATM 3295 O HOH B 244 32.909 40.536 27.660 1.00 28.48 O +HETATM 3296 O HOH B 245 40.609 31.191 40.399 1.00 25.35 O +HETATM 3297 O HOH B 246 33.617 36.082 -0.478 1.00 23.02 O +HETATM 3298 O HOH B 247 26.181 40.453 -0.197 1.00 30.26 O +HETATM 3299 O HOH B 248 45.351 25.806 22.372 1.00 27.59 O +HETATM 3300 O HOH B 249 23.389 44.186 3.300 1.00 30.06 O +HETATM 3301 O HOH B 250 50.837 51.671 16.905 1.00 28.30 O +HETATM 3302 O HOH B 251 32.459 39.023 15.132 1.00 25.06 O +HETATM 3303 O HOH B 252 39.285 39.643 36.077 1.00 27.57 O +HETATM 3304 O HOH B 253 38.111 37.385 35.203 1.00 26.07 O +HETATM 3305 O HOH B 254 33.764 37.152 39.702 1.00 31.51 O +HETATM 3306 O HOH B 255 31.139 39.769 17.796 1.00 29.06 O +HETATM 3307 O HOH B 256 47.116 25.752 4.671 1.00 33.47 O +HETATM 3308 O HOH B 257 52.255 50.792 14.673 1.00 31.96 O +HETATM 3309 O HOH B 258 23.183 53.436 12.561 1.00 28.62 O +HETATM 3310 O HOH B 259 40.330 48.492 24.517 1.00 26.78 O +HETATM 3311 O HOH B 260 45.219 36.068 2.360 1.00 30.00 O +HETATM 3312 O HOH B 261 29.314 43.712 -1.143 1.00 33.03 O +HETATM 3313 O HOH B 262 41.295 46.163 -0.937 1.00 33.35 O +HETATM 3314 O HOH B 263 32.218 54.965 19.225 1.00 32.28 O +HETATM 3315 O HOH B 264 50.721 35.700 32.499 1.00 30.93 O +HETATM 3316 O HOH B 265 45.022 58.013 23.473 1.00 39.30 O +HETATM 3317 O HOH B 266 25.074 38.672 8.442 1.00 31.90 O +HETATM 3318 O HOH B 267 51.699 37.949 5.112 1.00 31.51 O +HETATM 3319 O HOH B 268 34.842 50.648 -0.492 1.00 34.84 O +HETATM 3320 O HOH B 269 41.243 28.704 2.399 1.00 31.49 O +HETATM 3321 O HOH B 270 39.820 52.762 19.102 1.00 31.69 O +HETATM 3322 O HOH B 271 34.141 53.467 18.686 1.00 29.74 O +HETATM 3323 O HOH B 272 45.052 50.895 27.449 1.00 36.57 O +HETATM 3324 O HOH B 273 26.680 39.432 19.884 1.00 35.87 O +HETATM 3325 O HOH B 274 60.604 37.988 16.373 1.00 37.78 O +HETATM 3326 O HOH B 275 35.874 35.882 42.313 1.00 33.58 O +HETATM 3327 O HOH B 276 28.490 22.043 33.744 1.00 36.95 O +HETATM 3328 O HOH B 277 40.378 30.926 1.449 1.00 28.17 O +HETATM 3329 O HOH B 278 41.049 24.095 33.582 1.00 38.12 O +HETATM 3330 O HOH B 279 22.340 44.053 0.823 1.00 47.46 O +HETATM 3331 O HOH B 280 35.403 29.028 13.022 1.00 32.88 O +HETATM 3332 O HOH B 281 26.763 43.416 -0.099 1.00 30.61 O +HETATM 3333 O HOH B 282 38.312 55.113 19.141 1.00 33.66 O +HETATM 3334 O HOH B 283 37.167 41.713 29.705 1.00 41.16 O +HETATM 3335 O HOH B 284 43.358 34.759 0.498 1.00 36.72 O +HETATM 3336 O HOH B 285 43.897 24.433 37.614 1.00 35.27 O +HETATM 3337 O HOH B 286 35.761 55.405 17.705 1.00 39.18 O +HETATM 3338 O HOH B 287 32.607 21.347 33.127 1.00 34.57 O +HETATM 3339 O HOH B 288 43.733 24.814 18.872 1.00 41.29 O +HETATM 3340 O HOH B 289 38.515 32.504 12.726 1.00 39.00 O +HETATM 3341 O HOH B 290 51.526 46.178 8.436 1.00 38.78 O +HETATM 3342 O HOH B 291 44.699 30.667 41.530 1.00 34.81 O +HETATM 3343 O HOH B 292 19.857 49.290 16.276 1.00 37.83 O +HETATM 3344 O HOH B 293 45.718 22.996 4.407 1.00 45.58 O +HETATM 3345 O HOH B 294 52.112 53.734 13.645 1.00 39.80 O +HETATM 3346 O HOH B 295 40.845 25.462 45.793 1.00 33.79 O +HETATM 3347 O HOH B 296 43.185 41.259 -1.617 1.00 31.46 O +HETATM 3348 O HOH B 297 47.114 36.565 34.325 1.00 32.36 O +HETATM 3349 O HOH B 298 32.134 55.825 16.782 1.00 38.65 O +HETATM 3350 O HOH B 299 42.765 27.217 0.438 1.00 43.06 O +HETATM 3351 O HOH B 300 21.942 54.317 23.709 1.00 41.29 O +HETATM 3352 O HOH B 301 36.405 28.625 3.732 1.00 40.75 O +HETATM 3353 O HOH B 302 30.118 38.401 26.309 1.00 44.13 O +HETATM 3354 O HOH B 303 37.556 40.935 37.884 1.00 46.77 O +HETATM 3355 O HOH B 304 32.997 25.391 8.167 1.00 43.70 O +HETATM 3356 O HOH B 305 37.902 40.417 32.020 1.00 38.28 O +HETATM 3357 O HOH B 306 39.219 38.124 16.466 1.00 36.03 O +HETATM 3358 O HOH B 307 44.208 46.768 2.568 1.00 35.33 O +HETATM 3359 O HOH B 308 20.533 32.439 9.428 1.00 44.73 O +HETATM 3360 O HOH B 309 33.708 35.565 22.872 1.00 36.93 O +HETATM 3361 O HOH B 310 31.326 51.455 1.300 1.00 39.43 O +HETATM 3362 O HOH B 311 37.682 30.639 14.261 1.00 37.07 O +HETATM 3363 O HOH B 312 42.090 33.450 44.231 1.00 50.63 O +HETATM 3364 O HOH B 313 42.690 30.709 -0.269 1.00 39.01 O +HETATM 3365 O HOH B 314 35.394 24.914 15.030 1.00 48.40 O +HETATM 3366 O HOH B 315 39.042 48.676 31.938 1.00 41.14 O +HETATM 3367 O HOH B 316 41.637 46.808 32.703 1.00 39.00 O +HETATM 3368 O HOH B 317 49.060 35.618 36.712 1.00 41.70 O +HETATM 3369 O HOH B 318 35.614 31.511 3.062 1.00 44.75 O +HETATM 3370 O HOH B 319 34.914 44.034 32.204 1.00 48.83 O +HETATM 3371 O HOH B 320 47.621 34.822 2.186 1.00 38.03 O +HETATM 3372 O HOH B 321 34.566 33.770 -1.071 1.00 40.64 O +HETATM 3373 O HOH B 322 52.562 52.979 18.766 1.00 35.96 O +HETATM 3374 O HOH B 323 22.575 33.938 17.631 1.00 42.37 O +HETATM 3375 O HOH B 324 44.132 44.679 31.910 1.00 40.02 O +HETATM 3376 O HOH B 325 31.078 35.229 11.140 1.00 52.56 O +HETATM 3377 O HOH B 326 21.889 42.558 16.440 1.00 41.89 O +HETATM 3378 O HOH B 327 41.141 31.228 43.206 1.00 35.57 O +HETATM 3379 O HOH B 328 49.331 31.494 1.630 1.00 47.68 O +HETATM 3380 O HOH B 329 45.814 36.170 36.640 1.00 38.34 O +HETATM 3381 O HOH B 330 45.544 33.228 -0.455 1.00 43.72 O +HETATM 3382 O HOH B 331 38.372 57.960 7.537 1.00 43.22 O +HETATM 3383 O HOH B 332 23.153 32.563 4.779 1.00 43.98 O +HETATM 3384 O HOH B 333 32.333 32.839 0.713 1.00 59.90 O +HETATM 3385 O HOH B 334 35.068 34.320 45.549 1.00 56.79 O +HETATM 3386 O HOH B 335 34.614 26.071 18.842 1.00 49.05 O +HETATM 3387 O HOH B 336 28.636 54.984 10.986 1.00 43.01 O +HETATM 3388 O HOH B 337 33.306 57.966 9.362 1.00 51.74 O +HETATM 3389 O HOH B 338 48.081 35.769 39.183 1.00 51.14 O +HETATM 3390 O HOH B 339 38.602 27.058 3.080 1.00 43.78 O +HETATM 3391 O HOH B 340 52.941 46.039 22.263 1.00 45.31 O +HETATM 3392 O HOH B 341 48.933 53.300 23.037 1.00 42.68 O +HETATM 3393 O HOH B 342 28.207 37.727 13.908 1.00 47.80 O +HETATM 3394 O HOH B 343 35.118 39.882 36.672 1.00 39.24 O +CONECT 1212 1368 +CONECT 1368 1212 +CONECT 2798 2953 +CONECT 2953 2798 +MASTER 322 0 0 18 30 0 0 6 3373 2 4 38 +END diff --git a/tests/integration/tests/SID_ERMS_Rescore/inputs/C2.sym b/tests/integration/tests/SID_ERMS_Rescore/inputs/C2.sym new file mode 100644 index 00000000000..35049d95d99 --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/inputs/C2.sym @@ -0,0 +1,2 @@ +A B +A_B diff --git a/tests/integration/tests/SID_ERMS_Rescore/inputs/exp_ERMS.csv b/tests/integration/tests/SID_ERMS_Rescore/inputs/exp_ERMS.csv new file mode 100644 index 00000000000..89c2d94835d --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/inputs/exp_ERMS.csv @@ -0,0 +1,21 @@ +0 1 0 +45 1 0 +90 1 0 +135 0.988414 0.011586 +180 0.957891 0.042109 +225 0.903741 0.096259 +270 0.773155 0.226845 +315 0.607057 0.392943 +360 0.338749 0.661251 +405 0.200907 0.799093 +450 0.123857 0.876143 +495 0.07918 0.92082 +540 0.063465 0.936535 +585 0.045598 0.954402 +630 0.041745 0.958255 +675 0.030882 0.969118 +720 0.027197 0.972803 +765 0.021356 0.978644 +810 0.015356 0.984644 +855 0.011011 0.988989 +900 0.004764 0.995236 diff --git a/tests/integration/tests/SID_ERMS_Rescore/inputs/in_list b/tests/integration/tests/SID_ERMS_Rescore/inputs/in_list new file mode 100644 index 00000000000..47ddc78ce38 --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/inputs/in_list @@ -0,0 +1,2 @@ +./inputs/1VGT.pdb +./inputs/1VGX.pdb diff --git a/tests/integration/tests/SID_ERMS_Rescore/inputs/test_ERMS.csv b/tests/integration/tests/SID_ERMS_Rescore/inputs/test_ERMS.csv new file mode 100644 index 00000000000..a3b7266f818 --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/inputs/test_ERMS.csv @@ -0,0 +1,21 @@ +0 1 0 +45 0.05 0.95 +90 0.041 0.959 +135 0.02 0.98 +180 0.01 0.99 +225 0.011 0.989 +270 0.007 0.993 +315 0.004 0.996 +360 0.003 0.997 +405 0 1 +450 0 1 +495 0 1 +540 0 1 +585 0 1 +630 0 1 +675 0 1 +720 0 1 +765 0 1 +810 0 1 +855 0 1 +900 0 1 diff --git a/tests/integration/tests/SID_ERMS_Rescore/inputs/test_output.out b/tests/integration/tests/SID_ERMS_Rescore/inputs/test_output.out new file mode 100644 index 00000000000..ce797282dd4 --- /dev/null +++ b/tests/integration/tests/SID_ERMS_Rescore/inputs/test_output.out @@ -0,0 +1,3 @@ +Structure RMSE Ref15_Score ERMS Rescore +../inputs/inputs/1VGT.pdb 0.389898 -120.098 744.304 +../inputs/inputs/1VGX.pdb 0.388346 -120.098 733.522 From 6a2f485dcb5a1ea44221be5fccef7da1ec3976d8 Mon Sep 17 00:00:00 2001 From: "bolz.13" Date: Wed, 22 Jan 2025 14:29:48 -0500 Subject: [PATCH 4/7] cleaning up top level directory and pilot app.cc for merging to main --- inputs/1KTN | 7435 ----------------- inputs/1KTN.pdb | 4766 ----------- inputs/C2.sym | 2 - inputs/exp_ERMS.csv | 21 - inputs/inputs/1VGT.pdb | 3870 --------- inputs/inputs/1VGX.pdb | 3870 --------- inputs/inputs/in_list | 2 - inputs/test_ERMS.csv | 21 - inputs/test_output.out | 3 - source/build_sid_erms_app_debug.sh | 1 - .../pilot/robert_bolz/SID_ERMS_Rescore.cc | 673 -- source/test_sid_erms_app_debug.sh | 7 - 12 files changed, 20671 deletions(-) delete mode 100644 inputs/1KTN delete mode 100644 inputs/1KTN.pdb delete mode 100644 inputs/C2.sym delete mode 100644 inputs/exp_ERMS.csv delete mode 100644 inputs/inputs/1VGT.pdb delete mode 100644 inputs/inputs/1VGX.pdb delete mode 100644 inputs/inputs/in_list delete mode 100644 inputs/test_ERMS.csv delete mode 100644 inputs/test_output.out delete mode 100755 source/build_sid_erms_app_debug.sh delete mode 100644 source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc delete mode 100755 source/test_sid_erms_app_debug.sh diff --git a/inputs/1KTN b/inputs/1KTN deleted file mode 100644 index c7cf77a03e2..00000000000 --- a/inputs/1KTN +++ /dev/null @@ -1,7435 +0,0 @@ -data_1KTN -# -_entry.id 1KTN -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 5.386 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -_database_2.pdbx_database_accession -_database_2.pdbx_DOI -PDB 1KTN pdb_00001ktn 10.2210/pdb1ktn/pdb -RCSB RCSB015332 ? ? -WWPDB D_1000015332 ? ? -# -loop_ -_pdbx_audit_revision_history.ordinal -_pdbx_audit_revision_history.data_content_type -_pdbx_audit_revision_history.major_revision -_pdbx_audit_revision_history.minor_revision -_pdbx_audit_revision_history.revision_date -1 'Structure model' 1 0 2002-08-14 -2 'Structure model' 1 1 2008-04-27 -3 'Structure model' 1 2 2011-07-13 -4 'Structure model' 1 3 2017-10-11 -5 'Structure model' 1 4 2024-02-14 -# -_pdbx_audit_revision_details.ordinal 1 -_pdbx_audit_revision_details.revision_ordinal 1 -_pdbx_audit_revision_details.data_content_type 'Structure model' -_pdbx_audit_revision_details.provider repository -_pdbx_audit_revision_details.type 'Initial release' -_pdbx_audit_revision_details.description ? -_pdbx_audit_revision_details.details ? -# -loop_ -_pdbx_audit_revision_group.ordinal -_pdbx_audit_revision_group.revision_ordinal -_pdbx_audit_revision_group.data_content_type -_pdbx_audit_revision_group.group -1 2 'Structure model' 'Version format compliance' -2 3 'Structure model' 'Version format compliance' -3 4 'Structure model' 'Refinement description' -4 5 'Structure model' 'Data collection' -5 5 'Structure model' 'Database references' -# -loop_ -_pdbx_audit_revision_category.ordinal -_pdbx_audit_revision_category.revision_ordinal -_pdbx_audit_revision_category.data_content_type -_pdbx_audit_revision_category.category -1 4 'Structure model' software -2 5 'Structure model' chem_comp_atom -3 5 'Structure model' chem_comp_bond -4 5 'Structure model' database_2 -# -loop_ -_pdbx_audit_revision_item.ordinal -_pdbx_audit_revision_item.revision_ordinal -_pdbx_audit_revision_item.data_content_type -_pdbx_audit_revision_item.item -1 4 'Structure model' '_software.name' -2 5 'Structure model' '_database_2.pdbx_DOI' -3 5 'Structure model' '_database_2.pdbx_database_accession' -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 1KTN -_pdbx_database_status.recvd_initial_deposition_date 2002-01-16 -_pdbx_database_status.deposit_site RCSB -_pdbx_database_status.process_site RCSB -_pdbx_database_status.SG_entry Y -_pdbx_database_status.pdb_format_compatible Y -_pdbx_database_status.status_code_mr ? -_pdbx_database_status.status_code_sf ? -_pdbx_database_status.status_code_cs ? -_pdbx_database_status.methods_development_category ? -_pdbx_database_status.status_code_nmr_data ? -# -_pdbx_database_related.db_name TargetDB -_pdbx_database_related.db_id APC077 -_pdbx_database_related.details . -_pdbx_database_related.content_type unspecified -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Zhang, R.' 1 -'Joachimiak, A.' 2 -'Edwards, A.' 3 -'Skarina, T.' 4 -'Evdokimova, E.' 5 -'Savchenko, A.' 6 -'Midwest Center for Structural Genomics (MCSG)' 7 -# -_citation.id primary -_citation.title -;The 1.5A crystal structure of -2-deoxyribose-5-phosphate aldlase -; -_citation.journal_abbrev 'To be Published' -_citation.journal_volume ? -_citation.page_first ? -_citation.page_last ? -_citation.year ? -_citation.journal_id_ASTM ? -_citation.country ? -_citation.journal_id_ISSN ? -_citation.journal_id_CSD 0353 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed ? -_citation.pdbx_database_id_DOI ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -_citation_author.identifier_ORCID -primary 'Zhang, R.' 1 ? -primary 'Joachimiak, A.' 2 ? -primary 'Edwards, A.' 3 ? -primary 'Skarina, T.' 4 ? -primary 'Evdokimova, E.' 5 ? -primary 'Savchenko, A.' 6 ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.pdbx_ec -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.details -1 polymer man '2-deoxyribose-5-phosphate aldolase' 26914.955 2 4.1.2.4 ? ? ? -2 water nat water 18.015 631 ? ? ? ? -# -_entity_poly.entity_id 1 -_entity_poly.type 'polypeptide(L)' -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code -;MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTLKEQGTPEIRIATVTNFPHGN -DDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIK -AGADFIKTSTGKVAVNATPESARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL -LASLLKALGH -; -_entity_poly.pdbx_seq_one_letter_code_can -;MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTLKEQGTPEIRIATVTNFPHGN -DDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIK -AGADFIKTSTGKVAVNATPESARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL -LASLLKALGH -; -_entity_poly.pdbx_strand_id A,B -_entity_poly.pdbx_target_identifier APC077 -# -_pdbx_entity_nonpoly.entity_id 2 -_pdbx_entity_nonpoly.name water -_pdbx_entity_nonpoly.comp_id HOH -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 THR n -1 3 ASP n -1 4 LEU n -1 5 LYS n -1 6 ALA n -1 7 SER n -1 8 SER n -1 9 LEU n -1 10 ARG n -1 11 ALA n -1 12 LEU n -1 13 LYS n -1 14 LEU n -1 15 MET n -1 16 ASP n -1 17 LEU n -1 18 THR n -1 19 THR n -1 20 LEU n -1 21 ASN n -1 22 ASP n -1 23 ASP n -1 24 ASP n -1 25 THR n -1 26 ASP n -1 27 GLU n -1 28 LYS n -1 29 VAL n -1 30 ILE n -1 31 ALA n -1 32 LEU n -1 33 CYS n -1 34 HIS n -1 35 GLN n -1 36 ALA n -1 37 LYS n -1 38 THR n -1 39 PRO n -1 40 VAL n -1 41 GLY n -1 42 ASN n -1 43 THR n -1 44 ALA n -1 45 ALA n -1 46 ILE n -1 47 CYS n -1 48 ILE n -1 49 TYR n -1 50 PRO n -1 51 ARG n -1 52 PHE n -1 53 ILE n -1 54 PRO n -1 55 ILE n -1 56 ALA n -1 57 ARG n -1 58 LYS n -1 59 THR n -1 60 LEU n -1 61 LYS n -1 62 GLU n -1 63 GLN n -1 64 GLY n -1 65 THR n -1 66 PRO n -1 67 GLU n -1 68 ILE n -1 69 ARG n -1 70 ILE n -1 71 ALA n -1 72 THR n -1 73 VAL n -1 74 THR n -1 75 ASN n -1 76 PHE n -1 77 PRO n -1 78 HIS n -1 79 GLY n -1 80 ASN n -1 81 ASP n -1 82 ASP n -1 83 ILE n -1 84 ASP n -1 85 ILE n -1 86 ALA n -1 87 LEU n -1 88 ALA n -1 89 GLU n -1 90 THR n -1 91 ARG n -1 92 ALA n -1 93 ALA n -1 94 ILE n -1 95 ALA n -1 96 TYR n -1 97 GLY n -1 98 ALA n -1 99 ASP n -1 100 GLU n -1 101 VAL n -1 102 ASP n -1 103 VAL n -1 104 VAL n -1 105 PHE n -1 106 PRO n -1 107 TYR n -1 108 ARG n -1 109 ALA n -1 110 LEU n -1 111 MET n -1 112 ALA n -1 113 GLY n -1 114 ASN n -1 115 GLU n -1 116 GLN n -1 117 VAL n -1 118 GLY n -1 119 PHE n -1 120 ASP n -1 121 LEU n -1 122 VAL n -1 123 LYS n -1 124 ALA n -1 125 CYS n -1 126 LYS n -1 127 GLU n -1 128 ALA n -1 129 CYS n -1 130 ALA n -1 131 ALA n -1 132 ALA n -1 133 ASN n -1 134 VAL n -1 135 LEU n -1 136 LEU n -1 137 LYS n -1 138 VAL n -1 139 ILE n -1 140 ILE n -1 141 GLU n -1 142 THR n -1 143 GLY n -1 144 GLU n -1 145 LEU n -1 146 LYS n -1 147 ASP n -1 148 GLU n -1 149 ALA n -1 150 LEU n -1 151 ILE n -1 152 ARG n -1 153 LYS n -1 154 ALA n -1 155 SER n -1 156 GLU n -1 157 ILE n -1 158 SER n -1 159 ILE n -1 160 LYS n -1 161 ALA n -1 162 GLY n -1 163 ALA n -1 164 ASP n -1 165 PHE n -1 166 ILE n -1 167 LYS n -1 168 THR n -1 169 SER n -1 170 THR n -1 171 GLY n -1 172 LYS n -1 173 VAL n -1 174 ALA n -1 175 VAL n -1 176 ASN n -1 177 ALA n -1 178 THR n -1 179 PRO n -1 180 GLU n -1 181 SER n -1 182 ALA n -1 183 ARG n -1 184 ILE n -1 185 MET n -1 186 MET n -1 187 GLU n -1 188 VAL n -1 189 ILE n -1 190 ARG n -1 191 ASP n -1 192 MET n -1 193 GLY n -1 194 VAL n -1 195 GLU n -1 196 LYS n -1 197 THR n -1 198 VAL n -1 199 GLY n -1 200 PHE n -1 201 LYS n -1 202 PRO n -1 203 ALA n -1 204 GLY n -1 205 GLY n -1 206 VAL n -1 207 ARG n -1 208 THR n -1 209 ALA n -1 210 GLU n -1 211 ASP n -1 212 ALA n -1 213 GLN n -1 214 LYS n -1 215 TYR n -1 216 LEU n -1 217 ALA n -1 218 ILE n -1 219 ALA n -1 220 ASP n -1 221 GLU n -1 222 LEU n -1 223 PHE n -1 224 GLY n -1 225 ALA n -1 226 ASP n -1 227 TRP n -1 228 ALA n -1 229 ASP n -1 230 ALA n -1 231 ARG n -1 232 HIS n -1 233 TYR n -1 234 ARG n -1 235 PHE n -1 236 GLY n -1 237 ALA n -1 238 SER n -1 239 SER n -1 240 LEU n -1 241 LEU n -1 242 ALA n -1 243 SER n -1 244 LEU n -1 245 LEU n -1 246 LYS n -1 247 ALA n -1 248 LEU n -1 249 GLY n -1 250 HIS n -# -_entity_src_gen.entity_id 1 -_entity_src_gen.pdbx_src_id 1 -_entity_src_gen.pdbx_alt_source_flag sample -_entity_src_gen.pdbx_seq_type ? -_entity_src_gen.pdbx_beg_seq_num ? -_entity_src_gen.pdbx_end_seq_num ? -_entity_src_gen.gene_src_common_name ? -_entity_src_gen.gene_src_genus Escherichia -_entity_src_gen.pdbx_gene_src_gene ? -_entity_src_gen.gene_src_species ? -_entity_src_gen.gene_src_strain ? -_entity_src_gen.gene_src_tissue ? -_entity_src_gen.gene_src_tissue_fraction ? -_entity_src_gen.gene_src_details ? -_entity_src_gen.pdbx_gene_src_fragment ? -_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 562 -_entity_src_gen.pdbx_gene_src_variant ? -_entity_src_gen.pdbx_gene_src_cell_line ? -_entity_src_gen.pdbx_gene_src_atcc ? -_entity_src_gen.pdbx_gene_src_organ ? -_entity_src_gen.pdbx_gene_src_organelle ? -_entity_src_gen.pdbx_gene_src_cell ? -_entity_src_gen.pdbx_gene_src_cellular_location ? -_entity_src_gen.host_org_common_name ? -_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 -_entity_src_gen.host_org_genus Escherichia -_entity_src_gen.pdbx_host_org_gene ? -_entity_src_gen.pdbx_host_org_organ ? -_entity_src_gen.host_org_species 'Escherichia coli' -_entity_src_gen.pdbx_host_org_tissue ? -_entity_src_gen.pdbx_host_org_tissue_fraction ? -_entity_src_gen.pdbx_host_org_strain 'BL21(DE3)' -_entity_src_gen.pdbx_host_org_variant ? -_entity_src_gen.pdbx_host_org_cell_line ? -_entity_src_gen.pdbx_host_org_atcc ? -_entity_src_gen.pdbx_host_org_culture_collection ? -_entity_src_gen.pdbx_host_org_cell ? -_entity_src_gen.pdbx_host_org_organelle ? -_entity_src_gen.pdbx_host_org_cellular_location ? -_entity_src_gen.pdbx_host_org_vector_type PLASMID -_entity_src_gen.pdbx_host_org_vector ? -_entity_src_gen.host_org_details ? -_entity_src_gen.expression_system_id ? -_entity_src_gen.plasmid_name ? -_entity_src_gen.plasmid_details 'T7 promoter system in BL21(DE3) E. coli strain' -_entity_src_gen.pdbx_description ? -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 -HOH non-polymer . WATER ? 'H2 O' 18.015 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 -TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 MET 1 1 1 MET MET A . n -A 1 2 THR 2 2 2 THR THR A . n -A 1 3 ASP 3 3 3 ASP ASP A . n -A 1 4 LEU 4 4 4 LEU LEU A . n -A 1 5 LYS 5 5 5 LYS LYS A . n -A 1 6 ALA 6 6 6 ALA ALA A . n -A 1 7 SER 7 7 7 SER SER A . n -A 1 8 SER 8 8 8 SER SER A . n -A 1 9 LEU 9 9 9 LEU LEU A . n -A 1 10 ARG 10 10 10 ARG ARG A . n -A 1 11 ALA 11 11 11 ALA ALA A . n -A 1 12 LEU 12 12 12 LEU LEU A . n -A 1 13 LYS 13 13 13 LYS LYS A . n -A 1 14 LEU 14 14 14 LEU LEU A . n -A 1 15 MET 15 15 15 MET MET A . n -A 1 16 ASP 16 16 16 ASP ASP A . n -A 1 17 LEU 17 17 17 LEU LEU A . n -A 1 18 THR 18 18 18 THR THR A . n -A 1 19 THR 19 19 19 THR THR A . n -A 1 20 LEU 20 20 20 LEU LEU A . n -A 1 21 ASN 21 21 21 ASN ASN A . n -A 1 22 ASP 22 22 22 ASP ASP A . n -A 1 23 ASP 23 23 23 ASP ASP A . n -A 1 24 ASP 24 24 24 ASP ASP A . n -A 1 25 THR 25 25 25 THR THR A . n -A 1 26 ASP 26 26 26 ASP ASP A . n -A 1 27 GLU 27 27 27 GLU GLU A . n -A 1 28 LYS 28 28 28 LYS LYS A . n -A 1 29 VAL 29 29 29 VAL VAL A . n -A 1 30 ILE 30 30 30 ILE ILE A . n -A 1 31 ALA 31 31 31 ALA ALA A . n -A 1 32 LEU 32 32 32 LEU LEU A . n -A 1 33 CYS 33 33 33 CYS CYS A . n -A 1 34 HIS 34 34 34 HIS HIS A . n -A 1 35 GLN 35 35 35 GLN GLN A . n -A 1 36 ALA 36 36 36 ALA ALA A . n -A 1 37 LYS 37 37 37 LYS LYS A . n -A 1 38 THR 38 38 38 THR THR A . n -A 1 39 PRO 39 39 39 PRO PRO A . n -A 1 40 VAL 40 40 40 VAL VAL A . n -A 1 41 GLY 41 41 41 GLY GLY A . n -A 1 42 ASN 42 42 42 ASN ASN A . n -A 1 43 THR 43 43 43 THR THR A . n -A 1 44 ALA 44 44 44 ALA ALA A . n -A 1 45 ALA 45 45 45 ALA ALA A . n -A 1 46 ILE 46 46 46 ILE ILE A . n -A 1 47 CYS 47 47 47 CYS CYS A . n -A 1 48 ILE 48 48 48 ILE ILE A . n -A 1 49 TYR 49 49 49 TYR TYR A . n -A 1 50 PRO 50 50 50 PRO PRO A . n -A 1 51 ARG 51 51 51 ARG ARG A . n -A 1 52 PHE 52 52 52 PHE PHE A . n -A 1 53 ILE 53 53 53 ILE ILE A . n -A 1 54 PRO 54 54 54 PRO PRO A . n -A 1 55 ILE 55 55 55 ILE ILE A . n -A 1 56 ALA 56 56 56 ALA ALA A . n -A 1 57 ARG 57 57 57 ARG ARG A . n -A 1 58 LYS 58 58 58 LYS LYS A . n -A 1 59 THR 59 59 59 THR THR A . n -A 1 60 LEU 60 60 60 LEU LEU A . n -A 1 61 LYS 61 61 61 LYS LYS A . n -A 1 62 GLU 62 62 62 GLU GLU A . n -A 1 63 GLN 63 63 63 GLN GLN A . n -A 1 64 GLY 64 64 64 GLY GLY A . n -A 1 65 THR 65 65 65 THR THR A . n -A 1 66 PRO 66 66 66 PRO PRO A . n -A 1 67 GLU 67 67 67 GLU GLU A . n -A 1 68 ILE 68 68 68 ILE ILE A . n -A 1 69 ARG 69 69 69 ARG ARG A . n -A 1 70 ILE 70 70 70 ILE ILE A . n -A 1 71 ALA 71 71 71 ALA ALA A . n -A 1 72 THR 72 72 72 THR THR A . n -A 1 73 VAL 73 73 73 VAL VAL A . n -A 1 74 THR 74 74 74 THR THR A . n -A 1 75 ASN 75 75 75 ASN ASN A . n -A 1 76 PHE 76 76 76 PHE PHE A . n -A 1 77 PRO 77 77 77 PRO PRO A . n -A 1 78 HIS 78 78 78 HIS HIS A . n -A 1 79 GLY 79 79 79 GLY GLY A . n -A 1 80 ASN 80 80 80 ASN ASN A . n -A 1 81 ASP 81 81 81 ASP ASP A . n -A 1 82 ASP 82 82 82 ASP ASP A . n -A 1 83 ILE 83 83 83 ILE ILE A . n -A 1 84 ASP 84 84 84 ASP ASP A . n -A 1 85 ILE 85 85 85 ILE ILE A . n -A 1 86 ALA 86 86 86 ALA ALA A . n -A 1 87 LEU 87 87 87 LEU LEU A . n -A 1 88 ALA 88 88 88 ALA ALA A . n -A 1 89 GLU 89 89 89 GLU GLU A . n -A 1 90 THR 90 90 90 THR THR A . n -A 1 91 ARG 91 91 91 ARG ARG A . n -A 1 92 ALA 92 92 92 ALA ALA A . n -A 1 93 ALA 93 93 93 ALA ALA A . n -A 1 94 ILE 94 94 94 ILE ILE A . n -A 1 95 ALA 95 95 95 ALA ALA A . n -A 1 96 TYR 96 96 96 TYR TYR A . n -A 1 97 GLY 97 97 97 GLY GLY A . n -A 1 98 ALA 98 98 98 ALA ALA A . n -A 1 99 ASP 99 99 99 ASP ASP A . n -A 1 100 GLU 100 100 100 GLU GLU A . n -A 1 101 VAL 101 101 101 VAL VAL A . n -A 1 102 ASP 102 102 102 ASP ASP A . n -A 1 103 VAL 103 103 103 VAL VAL A . n -A 1 104 VAL 104 104 104 VAL VAL A . n -A 1 105 PHE 105 105 105 PHE PHE A . n -A 1 106 PRO 106 106 106 PRO PRO A . n -A 1 107 TYR 107 107 107 TYR TYR A . n -A 1 108 ARG 108 108 108 ARG ARG A . n -A 1 109 ALA 109 109 109 ALA ALA A . n -A 1 110 LEU 110 110 110 LEU LEU A . n -A 1 111 MET 111 111 111 MET MET A . n -A 1 112 ALA 112 112 112 ALA ALA A . n -A 1 113 GLY 113 113 113 GLY GLY A . n -A 1 114 ASN 114 114 114 ASN ASN A . n -A 1 115 GLU 115 115 115 GLU GLU A . n -A 1 116 GLN 116 116 116 GLN GLN A . n -A 1 117 VAL 117 117 117 VAL VAL A . n -A 1 118 GLY 118 118 118 GLY GLY A . n -A 1 119 PHE 119 119 119 PHE PHE A . n -A 1 120 ASP 120 120 120 ASP ASP A . n -A 1 121 LEU 121 121 121 LEU LEU A . n -A 1 122 VAL 122 122 122 VAL VAL A . n -A 1 123 LYS 123 123 123 LYS LYS A . n -A 1 124 ALA 124 124 124 ALA ALA A . n -A 1 125 CYS 125 125 125 CYS CYS A . n -A 1 126 LYS 126 126 126 LYS LYS A . n -A 1 127 GLU 127 127 127 GLU GLU A . n -A 1 128 ALA 128 128 128 ALA ALA A . n -A 1 129 CYS 129 129 129 CYS CYS A . n -A 1 130 ALA 130 130 130 ALA ALA A . n -A 1 131 ALA 131 131 131 ALA ALA A . n -A 1 132 ALA 132 132 132 ALA ALA A . n -A 1 133 ASN 133 133 133 ASN ASN A . n -A 1 134 VAL 134 134 134 VAL VAL A . n -A 1 135 LEU 135 135 135 LEU LEU A . n -A 1 136 LEU 136 136 136 LEU LEU A . n -A 1 137 LYS 137 137 137 LYS LYS A . n -A 1 138 VAL 138 138 138 VAL VAL A . n -A 1 139 ILE 139 139 139 ILE ILE A . n -A 1 140 ILE 140 140 140 ILE ILE A . n -A 1 141 GLU 141 141 141 GLU GLU A . n -A 1 142 THR 142 142 142 THR THR A . n -A 1 143 GLY 143 143 143 GLY GLY A . n -A 1 144 GLU 144 144 144 GLU GLU A . n -A 1 145 LEU 145 145 145 LEU LEU A . n -A 1 146 LYS 146 146 146 LYS LYS A . n -A 1 147 ASP 147 147 147 ASP ASP A . n -A 1 148 GLU 148 148 148 GLU GLU A . n -A 1 149 ALA 149 149 149 ALA ALA A . n -A 1 150 LEU 150 150 150 LEU LEU A . n -A 1 151 ILE 151 151 151 ILE ILE A . n -A 1 152 ARG 152 152 152 ARG ARG A . n -A 1 153 LYS 153 153 153 LYS LYS A . n -A 1 154 ALA 154 154 154 ALA ALA A . n -A 1 155 SER 155 155 155 SER SER A . n -A 1 156 GLU 156 156 156 GLU GLU A . n -A 1 157 ILE 157 157 157 ILE ILE A . n -A 1 158 SER 158 158 158 SER SER A . n -A 1 159 ILE 159 159 159 ILE ILE A . n -A 1 160 LYS 160 160 160 LYS LYS A . n -A 1 161 ALA 161 161 161 ALA ALA A . n -A 1 162 GLY 162 162 162 GLY GLY A . n -A 1 163 ALA 163 163 163 ALA ALA A . n -A 1 164 ASP 164 164 164 ASP ASP A . n -A 1 165 PHE 165 165 165 PHE PHE A . n -A 1 166 ILE 166 166 166 ILE ILE A . n -A 1 167 LYS 167 167 167 LYS LYS A . n -A 1 168 THR 168 168 168 THR THR A . n -A 1 169 SER 169 169 169 SER SER A . n -A 1 170 THR 170 170 170 THR THR A . n -A 1 171 GLY 171 171 171 GLY GLY A . n -A 1 172 LYS 172 172 172 LYS LYS A . n -A 1 173 VAL 173 173 173 VAL VAL A . n -A 1 174 ALA 174 174 174 ALA ALA A . n -A 1 175 VAL 175 175 175 VAL VAL A . n -A 1 176 ASN 176 176 176 ASN ASN A . n -A 1 177 ALA 177 177 177 ALA ALA A . n -A 1 178 THR 178 178 178 THR THR A . n -A 1 179 PRO 179 179 179 PRO PRO A . n -A 1 180 GLU 180 180 180 GLU GLU A . n -A 1 181 SER 181 181 181 SER SER A . n -A 1 182 ALA 182 182 182 ALA ALA A . n -A 1 183 ARG 183 183 183 ARG ARG A . n -A 1 184 ILE 184 184 184 ILE ILE A . n -A 1 185 MET 185 185 185 MET MET A . n -A 1 186 MET 186 186 186 MET MET A . n -A 1 187 GLU 187 187 187 GLU GLU A . n -A 1 188 VAL 188 188 188 VAL VAL A . n -A 1 189 ILE 189 189 189 ILE ILE A . n -A 1 190 ARG 190 190 190 ARG ARG A . n -A 1 191 ASP 191 191 191 ASP ASP A . n -A 1 192 MET 192 192 192 MET MET A . n -A 1 193 GLY 193 193 193 GLY GLY A . n -A 1 194 VAL 194 194 194 VAL VAL A . n -A 1 195 GLU 195 195 195 GLU GLU A . n -A 1 196 LYS 196 196 196 LYS LYS A . n -A 1 197 THR 197 197 197 THR THR A . n -A 1 198 VAL 198 198 198 VAL VAL A . n -A 1 199 GLY 199 199 199 GLY GLY A . n -A 1 200 PHE 200 200 200 PHE PHE A . n -A 1 201 LYS 201 201 201 LYS LYS A . n -A 1 202 PRO 202 202 202 PRO PRO A . n -A 1 203 ALA 203 203 203 ALA ALA A . n -A 1 204 GLY 204 204 204 GLY GLY A . n -A 1 205 GLY 205 205 205 GLY GLY A . n -A 1 206 VAL 206 206 206 VAL VAL A . n -A 1 207 ARG 207 207 207 ARG ARG A . n -A 1 208 THR 208 208 208 THR THR A . n -A 1 209 ALA 209 209 209 ALA ALA A . n -A 1 210 GLU 210 210 210 GLU GLU A . n -A 1 211 ASP 211 211 211 ASP ASP A . n -A 1 212 ALA 212 212 212 ALA ALA A . n -A 1 213 GLN 213 213 213 GLN GLN A . n -A 1 214 LYS 214 214 214 LYS LYS A . n -A 1 215 TYR 215 215 215 TYR TYR A . n -A 1 216 LEU 216 216 216 LEU LEU A . n -A 1 217 ALA 217 217 217 ALA ALA A . n -A 1 218 ILE 218 218 218 ILE ILE A . n -A 1 219 ALA 219 219 219 ALA ALA A . n -A 1 220 ASP 220 220 220 ASP ASP A . n -A 1 221 GLU 221 221 221 GLU GLU A . n -A 1 222 LEU 222 222 222 LEU LEU A . n -A 1 223 PHE 223 223 223 PHE PHE A . n -A 1 224 GLY 224 224 224 GLY GLY A . n -A 1 225 ALA 225 225 225 ALA ALA A . n -A 1 226 ASP 226 226 226 ASP ASP A . n -A 1 227 TRP 227 227 227 TRP TRP A . n -A 1 228 ALA 228 228 228 ALA ALA A . n -A 1 229 ASP 229 229 229 ASP ASP A . n -A 1 230 ALA 230 230 230 ALA ALA A . n -A 1 231 ARG 231 231 231 ARG ARG A . n -A 1 232 HIS 232 232 232 HIS HIS A . n -A 1 233 TYR 233 233 233 TYR TYR A . n -A 1 234 ARG 234 234 234 ARG ARG A . n -A 1 235 PHE 235 235 235 PHE PHE A . n -A 1 236 GLY 236 236 236 GLY GLY A . n -A 1 237 ALA 237 237 237 ALA ALA A . n -A 1 238 SER 238 238 238 SER SER A . n -A 1 239 SER 239 239 239 SER SER A . n -A 1 240 LEU 240 240 240 LEU LEU A . n -A 1 241 LEU 241 241 241 LEU LEU A . n -A 1 242 ALA 242 242 242 ALA ALA A . n -A 1 243 SER 243 243 243 SER SER A . n -A 1 244 LEU 244 244 244 LEU LEU A . n -A 1 245 LEU 245 245 245 LEU LEU A . n -A 1 246 LYS 246 246 246 LYS LYS A . n -A 1 247 ALA 247 247 247 ALA ALA A . n -A 1 248 LEU 248 248 248 LEU LEU A . n -A 1 249 GLY 249 249 249 GLY GLY A . n -A 1 250 HIS 250 250 250 HIS HIS A . n -B 1 1 MET 1 1 ? ? ? B . n -B 1 2 THR 2 2 2 THR THR B . n -B 1 3 ASP 3 3 3 ASP ASP B . n -B 1 4 LEU 4 4 4 LEU LEU B . n -B 1 5 LYS 5 5 5 LYS LYS B . n -B 1 6 ALA 6 6 6 ALA ALA B . n -B 1 7 SER 7 7 7 SER SER B . n -B 1 8 SER 8 8 8 SER SER B . n -B 1 9 LEU 9 9 9 LEU LEU B . n -B 1 10 ARG 10 10 10 ARG ARG B . n -B 1 11 ALA 11 11 11 ALA ALA B . n -B 1 12 LEU 12 12 12 LEU LEU B . n -B 1 13 LYS 13 13 13 LYS LYS B . n -B 1 14 LEU 14 14 14 LEU LEU B . n -B 1 15 MET 15 15 15 MET MET B . n -B 1 16 ASP 16 16 16 ASP ASP B . n -B 1 17 LEU 17 17 17 LEU LEU B . n -B 1 18 THR 18 18 18 THR THR B . n -B 1 19 THR 19 19 19 THR THR B . n -B 1 20 LEU 20 20 20 LEU LEU B . n -B 1 21 ASN 21 21 21 ASN ASN B . n -B 1 22 ASP 22 22 22 ASP ASP B . n -B 1 23 ASP 23 23 23 ASP ASP B . n -B 1 24 ASP 24 24 24 ASP ASP B . n -B 1 25 THR 25 25 25 THR THR B . n -B 1 26 ASP 26 26 26 ASP ASP B . n -B 1 27 GLU 27 27 27 GLU GLU B . n -B 1 28 LYS 28 28 28 LYS LYS B . n -B 1 29 VAL 29 29 29 VAL VAL B . n -B 1 30 ILE 30 30 30 ILE ILE B . n -B 1 31 ALA 31 31 31 ALA ALA B . n -B 1 32 LEU 32 32 32 LEU LEU B . n -B 1 33 CYS 33 33 33 CYS CYS B . n -B 1 34 HIS 34 34 34 HIS HIS B . n -B 1 35 GLN 35 35 35 GLN GLN B . n -B 1 36 ALA 36 36 36 ALA ALA B . n -B 1 37 LYS 37 37 37 LYS LYS B . n -B 1 38 THR 38 38 38 THR THR B . n -B 1 39 PRO 39 39 39 PRO PRO B . n -B 1 40 VAL 40 40 40 VAL VAL B . n -B 1 41 GLY 41 41 41 GLY GLY B . n -B 1 42 ASN 42 42 42 ASN ASN B . n -B 1 43 THR 43 43 43 THR THR B . n -B 1 44 ALA 44 44 44 ALA ALA B . n -B 1 45 ALA 45 45 45 ALA ALA B . n -B 1 46 ILE 46 46 46 ILE ILE B . n -B 1 47 CYS 47 47 47 CYS CYS B . n -B 1 48 ILE 48 48 48 ILE ILE B . n -B 1 49 TYR 49 49 49 TYR TYR B . n -B 1 50 PRO 50 50 50 PRO PRO B . n -B 1 51 ARG 51 51 51 ARG ARG B . n -B 1 52 PHE 52 52 52 PHE PHE B . n -B 1 53 ILE 53 53 53 ILE ILE B . n -B 1 54 PRO 54 54 54 PRO PRO B . n -B 1 55 ILE 55 55 55 ILE ILE B . n -B 1 56 ALA 56 56 56 ALA ALA B . n -B 1 57 ARG 57 57 57 ARG ARG B . n -B 1 58 LYS 58 58 58 LYS LYS B . n -B 1 59 THR 59 59 59 THR THR B . n -B 1 60 LEU 60 60 60 LEU LEU B . n -B 1 61 LYS 61 61 61 LYS LYS B . n -B 1 62 GLU 62 62 62 GLU GLU B . n -B 1 63 GLN 63 63 63 GLN GLN B . n -B 1 64 GLY 64 64 64 GLY GLY B . n -B 1 65 THR 65 65 65 THR THR B . n -B 1 66 PRO 66 66 66 PRO PRO B . n -B 1 67 GLU 67 67 67 GLU GLU B . n -B 1 68 ILE 68 68 68 ILE ILE B . n -B 1 69 ARG 69 69 69 ARG ARG B . n -B 1 70 ILE 70 70 70 ILE ILE B . n -B 1 71 ALA 71 71 71 ALA ALA B . n -B 1 72 THR 72 72 72 THR THR B . n -B 1 73 VAL 73 73 73 VAL VAL B . n -B 1 74 THR 74 74 74 THR THR B . n -B 1 75 ASN 75 75 75 ASN ASN B . n -B 1 76 PHE 76 76 76 PHE PHE B . n -B 1 77 PRO 77 77 77 PRO PRO B . n -B 1 78 HIS 78 78 78 HIS HIS B . n -B 1 79 GLY 79 79 79 GLY GLY B . n -B 1 80 ASN 80 80 80 ASN ASN B . n -B 1 81 ASP 81 81 81 ASP ASP B . n -B 1 82 ASP 82 82 82 ASP ASP B . n -B 1 83 ILE 83 83 83 ILE ILE B . n -B 1 84 ASP 84 84 84 ASP ASP B . n -B 1 85 ILE 85 85 85 ILE ILE B . n -B 1 86 ALA 86 86 86 ALA ALA B . n -B 1 87 LEU 87 87 87 LEU LEU B . n -B 1 88 ALA 88 88 88 ALA ALA B . n -B 1 89 GLU 89 89 89 GLU GLU B . n -B 1 90 THR 90 90 90 THR THR B . n -B 1 91 ARG 91 91 91 ARG ARG B . n -B 1 92 ALA 92 92 92 ALA ALA B . n -B 1 93 ALA 93 93 93 ALA ALA B . n -B 1 94 ILE 94 94 94 ILE ILE B . n -B 1 95 ALA 95 95 95 ALA ALA B . n -B 1 96 TYR 96 96 96 TYR TYR B . n -B 1 97 GLY 97 97 97 GLY GLY B . n -B 1 98 ALA 98 98 98 ALA ALA B . n -B 1 99 ASP 99 99 99 ASP ASP B . n -B 1 100 GLU 100 100 100 GLU GLU B . n -B 1 101 VAL 101 101 101 VAL VAL B . n -B 1 102 ASP 102 102 102 ASP ASP B . n -B 1 103 VAL 103 103 103 VAL VAL B . n -B 1 104 VAL 104 104 104 VAL VAL B . n -B 1 105 PHE 105 105 105 PHE PHE B . n -B 1 106 PRO 106 106 106 PRO PRO B . n -B 1 107 TYR 107 107 107 TYR TYR B . n -B 1 108 ARG 108 108 108 ARG ARG B . n -B 1 109 ALA 109 109 109 ALA ALA B . n -B 1 110 LEU 110 110 110 LEU LEU B . n -B 1 111 MET 111 111 111 MET MET B . n -B 1 112 ALA 112 112 112 ALA ALA B . n -B 1 113 GLY 113 113 113 GLY GLY B . n -B 1 114 ASN 114 114 114 ASN ASN B . n -B 1 115 GLU 115 115 115 GLU GLU B . n -B 1 116 GLN 116 116 116 GLN GLN B . n -B 1 117 VAL 117 117 117 VAL VAL B . n -B 1 118 GLY 118 118 118 GLY GLY B . n -B 1 119 PHE 119 119 119 PHE PHE B . n -B 1 120 ASP 120 120 120 ASP ASP B . n -B 1 121 LEU 121 121 121 LEU LEU B . n -B 1 122 VAL 122 122 122 VAL VAL B . n -B 1 123 LYS 123 123 123 LYS LYS B . n -B 1 124 ALA 124 124 124 ALA ALA B . n -B 1 125 CYS 125 125 125 CYS CYS B . n -B 1 126 LYS 126 126 126 LYS LYS B . n -B 1 127 GLU 127 127 127 GLU GLU B . n -B 1 128 ALA 128 128 128 ALA ALA B . n -B 1 129 CYS 129 129 129 CYS CYS B . n -B 1 130 ALA 130 130 130 ALA ALA B . n -B 1 131 ALA 131 131 131 ALA ALA B . n -B 1 132 ALA 132 132 132 ALA ALA B . n -B 1 133 ASN 133 133 133 ASN ASN B . n -B 1 134 VAL 134 134 134 VAL VAL B . n -B 1 135 LEU 135 135 135 LEU LEU B . n -B 1 136 LEU 136 136 136 LEU LEU B . n -B 1 137 LYS 137 137 137 LYS LYS B . n -B 1 138 VAL 138 138 138 VAL VAL B . n -B 1 139 ILE 139 139 139 ILE ILE B . n -B 1 140 ILE 140 140 140 ILE ILE B . n -B 1 141 GLU 141 141 141 GLU GLU B . n -B 1 142 THR 142 142 142 THR THR B . n -B 1 143 GLY 143 143 143 GLY GLY B . n -B 1 144 GLU 144 144 144 GLU GLU B . n -B 1 145 LEU 145 145 145 LEU LEU B . n -B 1 146 LYS 146 146 146 LYS LYS B . n -B 1 147 ASP 147 147 147 ASP ASP B . n -B 1 148 GLU 148 148 148 GLU GLU B . n -B 1 149 ALA 149 149 149 ALA ALA B . n -B 1 150 LEU 150 150 150 LEU LEU B . n -B 1 151 ILE 151 151 151 ILE ILE B . n -B 1 152 ARG 152 152 152 ARG ARG B . n -B 1 153 LYS 153 153 153 LYS LYS B . n -B 1 154 ALA 154 154 154 ALA ALA B . n -B 1 155 SER 155 155 155 SER SER B . n -B 1 156 GLU 156 156 156 GLU GLU B . n -B 1 157 ILE 157 157 157 ILE ILE B . n -B 1 158 SER 158 158 158 SER SER B . n -B 1 159 ILE 159 159 159 ILE ILE B . n -B 1 160 LYS 160 160 160 LYS LYS B . n -B 1 161 ALA 161 161 161 ALA ALA B . n -B 1 162 GLY 162 162 162 GLY GLY B . n -B 1 163 ALA 163 163 163 ALA ALA B . n -B 1 164 ASP 164 164 164 ASP ASP B . n -B 1 165 PHE 165 165 165 PHE PHE B . n -B 1 166 ILE 166 166 166 ILE ILE B . n -B 1 167 LYS 167 167 167 LYS LYS B . n -B 1 168 THR 168 168 168 THR THR B . n -B 1 169 SER 169 169 169 SER SER B . n -B 1 170 THR 170 170 170 THR THR B . n -B 1 171 GLY 171 171 171 GLY GLY B . n -B 1 172 LYS 172 172 172 LYS LYS B . n -B 1 173 VAL 173 173 173 VAL VAL B . n -B 1 174 ALA 174 174 174 ALA ALA B . n -B 1 175 VAL 175 175 175 VAL VAL B . n -B 1 176 ASN 176 176 176 ASN ASN B . n -B 1 177 ALA 177 177 177 ALA ALA B . n -B 1 178 THR 178 178 178 THR THR B . n -B 1 179 PRO 179 179 179 PRO PRO B . n -B 1 180 GLU 180 180 180 GLU GLU B . n -B 1 181 SER 181 181 181 SER SER B . n -B 1 182 ALA 182 182 182 ALA ALA B . n -B 1 183 ARG 183 183 183 ARG ARG B . n -B 1 184 ILE 184 184 184 ILE ILE B . n -B 1 185 MET 185 185 185 MET MET B . n -B 1 186 MET 186 186 186 MET MET B . n -B 1 187 GLU 187 187 187 GLU GLU B . n -B 1 188 VAL 188 188 188 VAL VAL B . n -B 1 189 ILE 189 189 189 ILE ILE B . n -B 1 190 ARG 190 190 190 ARG ARG B . n -B 1 191 ASP 191 191 191 ASP ASP B . n -B 1 192 MET 192 192 192 MET MET B . n -B 1 193 GLY 193 193 193 GLY GLY B . n -B 1 194 VAL 194 194 194 VAL VAL B . n -B 1 195 GLU 195 195 195 GLU GLU B . n -B 1 196 LYS 196 196 196 LYS LYS B . n -B 1 197 THR 197 197 197 THR THR B . n -B 1 198 VAL 198 198 198 VAL VAL B . n -B 1 199 GLY 199 199 199 GLY GLY B . n -B 1 200 PHE 200 200 200 PHE PHE B . n -B 1 201 LYS 201 201 201 LYS LYS B . n -B 1 202 PRO 202 202 202 PRO PRO B . n -B 1 203 ALA 203 203 203 ALA ALA B . n -B 1 204 GLY 204 204 204 GLY GLY B . n -B 1 205 GLY 205 205 205 GLY GLY B . n -B 1 206 VAL 206 206 206 VAL VAL B . n -B 1 207 ARG 207 207 207 ARG ARG B . n -B 1 208 THR 208 208 208 THR THR B . n -B 1 209 ALA 209 209 209 ALA ALA B . n -B 1 210 GLU 210 210 210 GLU GLU B . n -B 1 211 ASP 211 211 211 ASP ASP B . n -B 1 212 ALA 212 212 212 ALA ALA B . n -B 1 213 GLN 213 213 213 GLN GLN B . n -B 1 214 LYS 214 214 214 LYS LYS B . n -B 1 215 TYR 215 215 215 TYR TYR B . n -B 1 216 LEU 216 216 216 LEU LEU B . n -B 1 217 ALA 217 217 217 ALA ALA B . n -B 1 218 ILE 218 218 218 ILE ILE B . n -B 1 219 ALA 219 219 219 ALA ALA B . n -B 1 220 ASP 220 220 220 ASP ASP B . n -B 1 221 GLU 221 221 221 GLU GLU B . n -B 1 222 LEU 222 222 222 LEU LEU B . n -B 1 223 PHE 223 223 223 PHE PHE B . n -B 1 224 GLY 224 224 224 GLY GLY B . n -B 1 225 ALA 225 225 225 ALA ALA B . n -B 1 226 ASP 226 226 226 ASP ASP B . n -B 1 227 TRP 227 227 227 TRP TRP B . n -B 1 228 ALA 228 228 228 ALA ALA B . n -B 1 229 ASP 229 229 229 ASP ASP B . n -B 1 230 ALA 230 230 230 ALA ALA B . n -B 1 231 ARG 231 231 231 ARG ARG B . n -B 1 232 HIS 232 232 232 HIS HIS B . n -B 1 233 TYR 233 233 233 TYR TYR B . n -B 1 234 ARG 234 234 234 ARG ARG B . n -B 1 235 PHE 235 235 235 PHE PHE B . n -B 1 236 GLY 236 236 236 GLY GLY B . n -B 1 237 ALA 237 237 237 ALA ALA B . n -B 1 238 SER 238 238 238 SER SER B . n -B 1 239 SER 239 239 239 SER SER B . n -B 1 240 LEU 240 240 240 LEU LEU B . n -B 1 241 LEU 241 241 241 LEU LEU B . n -B 1 242 ALA 242 242 242 ALA ALA B . n -B 1 243 SER 243 243 243 SER SER B . n -B 1 244 LEU 244 244 244 LEU LEU B . n -B 1 245 LEU 245 245 245 LEU LEU B . n -B 1 246 LYS 246 246 246 LYS LYS B . n -B 1 247 ALA 247 247 247 ALA ALA B . n -B 1 248 LEU 248 248 248 LEU LEU B . n -B 1 249 GLY 249 249 249 GLY GLY B . n -B 1 250 HIS 250 250 250 HIS HIS B . n -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -C 2 HOH 1 401 401 HOH TIP A . -C 2 HOH 2 402 402 HOH TIP A . -C 2 HOH 3 407 407 HOH TIP A . -C 2 HOH 4 409 409 HOH TIP A . -C 2 HOH 5 410 410 HOH TIP A . -C 2 HOH 6 415 415 HOH TIP A . -C 2 HOH 7 419 419 HOH TIP A . -C 2 HOH 8 420 420 HOH TIP A . -C 2 HOH 9 421 421 HOH TIP A . -C 2 HOH 10 422 422 HOH TIP A . -C 2 HOH 11 424 424 HOH TIP A . -C 2 HOH 12 426 426 HOH TIP A . -C 2 HOH 13 427 427 HOH TIP A . -C 2 HOH 14 429 429 HOH TIP A . -C 2 HOH 15 430 430 HOH TIP A . -C 2 HOH 16 431 431 HOH TIP A . -C 2 HOH 17 434 434 HOH TIP A . -C 2 HOH 18 435 435 HOH TIP A . -C 2 HOH 19 439 439 HOH TIP A . -C 2 HOH 20 440 440 HOH TIP A . -C 2 HOH 21 443 443 HOH TIP A . -C 2 HOH 22 444 444 HOH TIP A . -C 2 HOH 23 448 448 HOH TIP A . -C 2 HOH 24 449 449 HOH TIP A . -C 2 HOH 25 450 450 HOH TIP A . -C 2 HOH 26 451 451 HOH TIP A . -C 2 HOH 27 452 452 HOH TIP A . -C 2 HOH 28 453 453 HOH TIP A . -C 2 HOH 29 455 455 HOH TIP A . -C 2 HOH 30 459 459 HOH TIP A . -C 2 HOH 31 461 461 HOH TIP A . -C 2 HOH 32 462 462 HOH TIP A . -C 2 HOH 33 463 463 HOH TIP A . -C 2 HOH 34 466 466 HOH TIP A . -C 2 HOH 35 467 467 HOH TIP A . -C 2 HOH 36 472 472 HOH TIP A . -C 2 HOH 37 474 474 HOH TIP A . -C 2 HOH 38 479 479 HOH TIP A . -C 2 HOH 39 480 480 HOH TIP A . -C 2 HOH 40 481 481 HOH TIP A . -C 2 HOH 41 482 482 HOH TIP A . -C 2 HOH 42 484 484 HOH TIP A . -C 2 HOH 43 486 486 HOH TIP A . -C 2 HOH 44 487 487 HOH TIP A . -C 2 HOH 45 488 488 HOH TIP A . -C 2 HOH 46 489 489 HOH TIP A . -C 2 HOH 47 493 493 HOH TIP A . -C 2 HOH 48 494 494 HOH TIP A . -C 2 HOH 49 495 495 HOH TIP A . -C 2 HOH 50 497 497 HOH TIP A . -C 2 HOH 51 500 500 HOH TIP A . -C 2 HOH 52 501 501 HOH TIP A . -C 2 HOH 53 502 502 HOH TIP A . -C 2 HOH 54 503 503 HOH TIP A . -C 2 HOH 55 507 507 HOH TIP A . -C 2 HOH 56 509 509 HOH TIP A . -C 2 HOH 57 510 510 HOH TIP A . -C 2 HOH 58 511 511 HOH TIP A . -C 2 HOH 59 512 512 HOH TIP A . -C 2 HOH 60 515 515 HOH TIP A . -C 2 HOH 61 517 517 HOH TIP A . -C 2 HOH 62 520 520 HOH TIP A . -C 2 HOH 63 523 523 HOH TIP A . -C 2 HOH 64 525 525 HOH TIP A . -C 2 HOH 65 526 526 HOH TIP A . -C 2 HOH 66 530 530 HOH TIP A . -C 2 HOH 67 531 531 HOH TIP A . -C 2 HOH 68 533 533 HOH TIP A . -C 2 HOH 69 535 535 HOH TIP A . -C 2 HOH 70 536 536 HOH TIP A . -C 2 HOH 71 537 537 HOH TIP A . -C 2 HOH 72 538 538 HOH TIP A . -C 2 HOH 73 539 539 HOH TIP A . -C 2 HOH 74 540 540 HOH TIP A . -C 2 HOH 75 542 542 HOH TIP A . -C 2 HOH 76 544 544 HOH TIP A . -C 2 HOH 77 545 545 HOH TIP A . -C 2 HOH 78 546 546 HOH TIP A . -C 2 HOH 79 548 548 HOH TIP A . -C 2 HOH 80 549 549 HOH TIP A . -C 2 HOH 81 552 552 HOH TIP A . -C 2 HOH 82 553 553 HOH TIP A . -C 2 HOH 83 554 554 HOH TIP A . -C 2 HOH 84 555 555 HOH TIP A . -C 2 HOH 85 556 556 HOH TIP A . -C 2 HOH 86 557 557 HOH TIP A . -C 2 HOH 87 559 559 HOH TIP A . -C 2 HOH 88 560 560 HOH TIP A . -C 2 HOH 89 563 563 HOH TIP A . -C 2 HOH 90 564 564 HOH TIP A . -C 2 HOH 91 565 565 HOH TIP A . -C 2 HOH 92 566 566 HOH TIP A . -C 2 HOH 93 567 567 HOH TIP A . -C 2 HOH 94 568 568 HOH TIP A . -C 2 HOH 95 569 569 HOH TIP A . -C 2 HOH 96 574 574 HOH TIP A . -C 2 HOH 97 576 576 HOH TIP A . -C 2 HOH 98 578 578 HOH TIP A . -C 2 HOH 99 582 582 HOH TIP A . -C 2 HOH 100 584 584 HOH TIP A . -C 2 HOH 101 585 585 HOH TIP A . -C 2 HOH 102 586 586 HOH TIP A . -C 2 HOH 103 587 587 HOH TIP A . -C 2 HOH 104 588 588 HOH TIP A . -C 2 HOH 105 590 590 HOH TIP A . -C 2 HOH 106 593 593 HOH TIP A . -C 2 HOH 107 594 594 HOH TIP A . -C 2 HOH 108 596 596 HOH TIP A . -C 2 HOH 109 598 598 HOH TIP A . -C 2 HOH 110 599 599 HOH TIP A . -C 2 HOH 111 600 600 HOH TIP A . -C 2 HOH 112 603 603 HOH TIP A . -C 2 HOH 113 606 606 HOH TIP A . -C 2 HOH 114 609 609 HOH TIP A . -C 2 HOH 115 610 610 HOH TIP A . -C 2 HOH 116 612 612 HOH TIP A . -C 2 HOH 117 614 614 HOH TIP A . -C 2 HOH 118 621 621 HOH TIP A . -C 2 HOH 119 622 622 HOH TIP A . -C 2 HOH 120 623 623 HOH TIP A . -C 2 HOH 121 626 626 HOH TIP A . -C 2 HOH 122 631 631 HOH TIP A . -C 2 HOH 123 636 636 HOH TIP A . -C 2 HOH 124 638 638 HOH TIP A . -C 2 HOH 125 639 639 HOH TIP A . -C 2 HOH 126 644 644 HOH TIP A . -C 2 HOH 127 646 646 HOH TIP A . -C 2 HOH 128 650 650 HOH TIP A . -C 2 HOH 129 651 651 HOH TIP A . -C 2 HOH 130 653 653 HOH TIP A . -C 2 HOH 131 654 654 HOH TIP A . -C 2 HOH 132 655 655 HOH TIP A . -C 2 HOH 133 657 657 HOH TIP A . -C 2 HOH 134 658 658 HOH TIP A . -C 2 HOH 135 662 662 HOH TIP A . -C 2 HOH 136 663 663 HOH TIP A . -C 2 HOH 137 664 664 HOH TIP A . -C 2 HOH 138 666 666 HOH TIP A . -C 2 HOH 139 668 668 HOH TIP A . -C 2 HOH 140 670 670 HOH TIP A . -C 2 HOH 141 671 671 HOH TIP A . -C 2 HOH 142 672 672 HOH TIP A . -C 2 HOH 143 673 673 HOH TIP A . -C 2 HOH 144 674 674 HOH TIP A . -C 2 HOH 145 676 676 HOH TIP A . -C 2 HOH 146 678 678 HOH TIP A . -C 2 HOH 147 682 682 HOH TIP A . -C 2 HOH 148 685 685 HOH TIP A . -C 2 HOH 149 689 689 HOH TIP A . -C 2 HOH 150 692 692 HOH TIP A . -C 2 HOH 151 696 696 HOH TIP A . -C 2 HOH 152 698 698 HOH TIP A . -C 2 HOH 153 702 702 HOH TIP A . -C 2 HOH 154 703 703 HOH TIP A . -C 2 HOH 155 705 705 HOH TIP A . -C 2 HOH 156 706 706 HOH TIP A . -C 2 HOH 157 708 708 HOH TIP A . -C 2 HOH 158 709 709 HOH TIP A . -C 2 HOH 159 712 712 HOH TIP A . -C 2 HOH 160 713 713 HOH TIP A . -C 2 HOH 161 718 718 HOH TIP A . -C 2 HOH 162 719 719 HOH TIP A . -C 2 HOH 163 721 721 HOH TIP A . -C 2 HOH 164 722 722 HOH TIP A . -C 2 HOH 165 724 724 HOH TIP A . -C 2 HOH 166 725 725 HOH TIP A . -C 2 HOH 167 727 727 HOH TIP A . -C 2 HOH 168 728 728 HOH TIP A . -C 2 HOH 169 734 734 HOH TIP A . -C 2 HOH 170 736 736 HOH TIP A . -C 2 HOH 171 738 738 HOH TIP A . -C 2 HOH 172 741 741 HOH TIP A . -C 2 HOH 173 742 742 HOH TIP A . -C 2 HOH 174 744 744 HOH TIP A . -C 2 HOH 175 746 746 HOH TIP A . -C 2 HOH 176 747 747 HOH TIP A . -C 2 HOH 177 748 748 HOH TIP A . -C 2 HOH 178 750 750 HOH TIP A . -C 2 HOH 179 751 751 HOH TIP A . -C 2 HOH 180 754 754 HOH TIP A . -C 2 HOH 181 755 755 HOH TIP A . -C 2 HOH 182 760 760 HOH TIP A . -C 2 HOH 183 762 762 HOH TIP A . -C 2 HOH 184 767 767 HOH TIP A . -C 2 HOH 185 768 768 HOH TIP A . -C 2 HOH 186 769 769 HOH TIP A . -C 2 HOH 187 771 771 HOH TIP A . -C 2 HOH 188 773 773 HOH TIP A . -C 2 HOH 189 774 774 HOH TIP A . -C 2 HOH 190 776 776 HOH TIP A . -C 2 HOH 191 781 781 HOH TIP A . -C 2 HOH 192 782 782 HOH TIP A . -C 2 HOH 193 783 783 HOH TIP A . -C 2 HOH 194 784 784 HOH TIP A . -C 2 HOH 195 788 788 HOH TIP A . -C 2 HOH 196 791 791 HOH TIP A . -C 2 HOH 197 792 792 HOH TIP A . -C 2 HOH 198 793 793 HOH TIP A . -C 2 HOH 199 797 797 HOH TIP A . -C 2 HOH 200 798 798 HOH TIP A . -C 2 HOH 201 801 801 HOH TIP A . -C 2 HOH 202 803 803 HOH TIP A . -C 2 HOH 203 804 804 HOH TIP A . -C 2 HOH 204 810 810 HOH TIP A . -C 2 HOH 205 811 811 HOH TIP A . -C 2 HOH 206 812 812 HOH TIP A . -C 2 HOH 207 813 813 HOH TIP A . -C 2 HOH 208 817 817 HOH TIP A . -C 2 HOH 209 818 818 HOH TIP A . -C 2 HOH 210 819 819 HOH TIP A . -C 2 HOH 211 820 820 HOH TIP A . -C 2 HOH 212 821 821 HOH TIP A . -C 2 HOH 213 822 822 HOH TIP A . -C 2 HOH 214 826 826 HOH TIP A . -C 2 HOH 215 827 827 HOH TIP A . -C 2 HOH 216 830 830 HOH TIP A . -C 2 HOH 217 831 831 HOH TIP A . -C 2 HOH 218 832 832 HOH TIP A . -C 2 HOH 219 833 833 HOH TIP A . -C 2 HOH 220 834 834 HOH TIP A . -C 2 HOH 221 835 835 HOH TIP A . -C 2 HOH 222 837 837 HOH TIP A . -C 2 HOH 223 838 838 HOH TIP A . -C 2 HOH 224 839 839 HOH TIP A . -C 2 HOH 225 840 840 HOH TIP A . -C 2 HOH 226 841 841 HOH TIP A . -C 2 HOH 227 846 846 HOH TIP A . -C 2 HOH 228 847 847 HOH TIP A . -C 2 HOH 229 848 848 HOH TIP A . -C 2 HOH 230 849 849 HOH TIP A . -C 2 HOH 231 850 850 HOH TIP A . -C 2 HOH 232 851 851 HOH TIP A . -C 2 HOH 233 852 852 HOH TIP A . -C 2 HOH 234 854 854 HOH TIP A . -C 2 HOH 235 858 858 HOH TIP A . -C 2 HOH 236 859 859 HOH TIP A . -C 2 HOH 237 860 860 HOH TIP A . -C 2 HOH 238 863 863 HOH TIP A . -C 2 HOH 239 864 864 HOH TIP A . -C 2 HOH 240 866 866 HOH TIP A . -C 2 HOH 241 867 867 HOH TIP A . -C 2 HOH 242 868 868 HOH TIP A . -C 2 HOH 243 869 869 HOH TIP A . -C 2 HOH 244 870 870 HOH TIP A . -C 2 HOH 245 873 873 HOH TIP A . -C 2 HOH 246 877 877 HOH TIP A . -C 2 HOH 247 879 879 HOH TIP A . -C 2 HOH 248 885 885 HOH TIP A . -C 2 HOH 249 888 888 HOH TIP A . -C 2 HOH 250 889 889 HOH TIP A . -C 2 HOH 251 890 890 HOH TIP A . -C 2 HOH 252 891 891 HOH TIP A . -C 2 HOH 253 892 892 HOH TIP A . -C 2 HOH 254 894 894 HOH TIP A . -C 2 HOH 255 896 896 HOH TIP A . -C 2 HOH 256 898 898 HOH TIP A . -C 2 HOH 257 904 904 HOH TIP A . -C 2 HOH 258 907 907 HOH TIP A . -C 2 HOH 259 908 908 HOH TIP A . -C 2 HOH 260 910 910 HOH TIP A . -C 2 HOH 261 911 911 HOH TIP A . -C 2 HOH 262 913 913 HOH TIP A . -C 2 HOH 263 914 914 HOH TIP A . -C 2 HOH 264 915 915 HOH TIP A . -C 2 HOH 265 916 916 HOH TIP A . -C 2 HOH 266 917 917 HOH TIP A . -C 2 HOH 267 920 920 HOH TIP A . -C 2 HOH 268 924 924 HOH TIP A . -C 2 HOH 269 926 926 HOH TIP A . -C 2 HOH 270 927 927 HOH TIP A . -C 2 HOH 271 928 928 HOH TIP A . -C 2 HOH 272 929 929 HOH TIP A . -C 2 HOH 273 930 930 HOH TIP A . -C 2 HOH 274 934 934 HOH TIP A . -C 2 HOH 275 937 937 HOH TIP A . -C 2 HOH 276 941 941 HOH TIP A . -C 2 HOH 277 942 942 HOH TIP A . -C 2 HOH 278 946 946 HOH TIP A . -C 2 HOH 279 947 947 HOH TIP A . -C 2 HOH 280 950 950 HOH TIP A . -C 2 HOH 281 954 954 HOH TIP A . -C 2 HOH 282 955 955 HOH TIP A . -C 2 HOH 283 956 956 HOH TIP A . -C 2 HOH 284 957 957 HOH TIP A . -C 2 HOH 285 958 958 HOH TIP A . -C 2 HOH 286 959 959 HOH TIP A . -C 2 HOH 287 960 960 HOH TIP A . -C 2 HOH 288 963 963 HOH TIP A . -C 2 HOH 289 966 966 HOH TIP A . -C 2 HOH 290 968 968 HOH TIP A . -C 2 HOH 291 969 969 HOH TIP A . -C 2 HOH 292 973 973 HOH TIP A . -C 2 HOH 293 975 975 HOH TIP A . -C 2 HOH 294 976 976 HOH TIP A . -C 2 HOH 295 977 977 HOH TIP A . -C 2 HOH 296 978 978 HOH TIP A . -C 2 HOH 297 979 979 HOH TIP A . -C 2 HOH 298 981 981 HOH TIP A . -C 2 HOH 299 982 982 HOH TIP A . -C 2 HOH 300 984 984 HOH TIP A . -C 2 HOH 301 987 987 HOH TIP A . -C 2 HOH 302 988 988 HOH TIP A . -C 2 HOH 303 990 990 HOH TIP A . -C 2 HOH 304 996 996 HOH TIP A . -C 2 HOH 305 997 997 HOH TIP A . -C 2 HOH 306 999 999 HOH TIP A . -C 2 HOH 307 1003 1003 HOH TIP A . -C 2 HOH 308 1004 1004 HOH TIP A . -C 2 HOH 309 1005 1005 HOH TIP A . -C 2 HOH 310 1006 1006 HOH TIP A . -C 2 HOH 311 1008 1008 HOH TIP A . -C 2 HOH 312 1009 1009 HOH TIP A . -C 2 HOH 313 1012 1012 HOH TIP A . -C 2 HOH 314 1013 1013 HOH TIP A . -C 2 HOH 315 1014 1014 HOH TIP A . -C 2 HOH 316 1019 1019 HOH TIP A . -C 2 HOH 317 1020 1020 HOH TIP A . -C 2 HOH 318 1021 1021 HOH TIP A . -C 2 HOH 319 1025 1025 HOH TIP A . -C 2 HOH 320 1026 1026 HOH TIP A . -C 2 HOH 321 1027 1027 HOH TIP A . -C 2 HOH 322 1029 1029 HOH TIP A . -D 2 HOH 1 400 400 HOH TIP B . -D 2 HOH 2 403 403 HOH TIP B . -D 2 HOH 3 404 404 HOH TIP B . -D 2 HOH 4 405 405 HOH TIP B . -D 2 HOH 5 406 406 HOH TIP B . -D 2 HOH 6 408 408 HOH TIP B . -D 2 HOH 7 411 411 HOH TIP B . -D 2 HOH 8 412 412 HOH TIP B . -D 2 HOH 9 413 413 HOH TIP B . -D 2 HOH 10 414 414 HOH TIP B . -D 2 HOH 11 416 416 HOH TIP B . -D 2 HOH 12 417 417 HOH TIP B . -D 2 HOH 13 418 418 HOH TIP B . -D 2 HOH 14 423 423 HOH TIP B . -D 2 HOH 15 425 425 HOH TIP B . -D 2 HOH 16 428 428 HOH TIP B . -D 2 HOH 17 432 432 HOH TIP B . -D 2 HOH 18 433 433 HOH TIP B . -D 2 HOH 19 436 436 HOH TIP B . -D 2 HOH 20 437 437 HOH TIP B . -D 2 HOH 21 438 438 HOH TIP B . -D 2 HOH 22 441 441 HOH TIP B . -D 2 HOH 23 442 442 HOH TIP B . -D 2 HOH 24 445 445 HOH TIP B . -D 2 HOH 25 446 446 HOH TIP B . -D 2 HOH 26 447 447 HOH TIP B . -D 2 HOH 27 454 454 HOH TIP B . -D 2 HOH 28 456 456 HOH TIP B . -D 2 HOH 29 457 457 HOH TIP B . -D 2 HOH 30 458 458 HOH TIP B . -D 2 HOH 31 460 460 HOH TIP B . -D 2 HOH 32 464 464 HOH TIP B . -D 2 HOH 33 465 465 HOH TIP B . -D 2 HOH 34 468 468 HOH TIP B . -D 2 HOH 35 469 469 HOH TIP B . -D 2 HOH 36 470 470 HOH TIP B . -D 2 HOH 37 471 471 HOH TIP B . -D 2 HOH 38 473 473 HOH TIP B . -D 2 HOH 39 475 475 HOH TIP B . -D 2 HOH 40 476 476 HOH TIP B . -D 2 HOH 41 477 477 HOH TIP B . -D 2 HOH 42 478 478 HOH TIP B . -D 2 HOH 43 483 483 HOH TIP B . -D 2 HOH 44 485 485 HOH TIP B . -D 2 HOH 45 490 490 HOH TIP B . -D 2 HOH 46 491 491 HOH TIP B . -D 2 HOH 47 492 492 HOH TIP B . -D 2 HOH 48 496 496 HOH TIP B . -D 2 HOH 49 498 498 HOH TIP B . -D 2 HOH 50 499 499 HOH TIP B . -D 2 HOH 51 504 504 HOH TIP B . -D 2 HOH 52 505 505 HOH TIP B . -D 2 HOH 53 506 506 HOH TIP B . -D 2 HOH 54 508 508 HOH TIP B . -D 2 HOH 55 513 513 HOH TIP B . -D 2 HOH 56 514 514 HOH TIP B . -D 2 HOH 57 516 516 HOH TIP B . -D 2 HOH 58 518 518 HOH TIP B . -D 2 HOH 59 519 519 HOH TIP B . -D 2 HOH 60 521 521 HOH TIP B . -D 2 HOH 61 522 522 HOH TIP B . -D 2 HOH 62 524 524 HOH TIP B . -D 2 HOH 63 527 527 HOH TIP B . -D 2 HOH 64 528 528 HOH TIP B . -D 2 HOH 65 529 529 HOH TIP B . -D 2 HOH 66 532 532 HOH TIP B . -D 2 HOH 67 534 534 HOH TIP B . -D 2 HOH 68 541 541 HOH TIP B . -D 2 HOH 69 543 543 HOH TIP B . -D 2 HOH 70 547 547 HOH TIP B . -D 2 HOH 71 550 550 HOH TIP B . -D 2 HOH 72 551 551 HOH TIP B . -D 2 HOH 73 558 558 HOH TIP B . -D 2 HOH 74 561 561 HOH TIP B . -D 2 HOH 75 562 562 HOH TIP B . -D 2 HOH 76 570 570 HOH TIP B . -D 2 HOH 77 571 571 HOH TIP B . -D 2 HOH 78 572 572 HOH TIP B . -D 2 HOH 79 573 573 HOH TIP B . -D 2 HOH 80 575 575 HOH TIP B . -D 2 HOH 81 577 577 HOH TIP B . -D 2 HOH 82 579 579 HOH TIP B . -D 2 HOH 83 580 580 HOH TIP B . -D 2 HOH 84 581 581 HOH TIP B . -D 2 HOH 85 583 583 HOH TIP B . -D 2 HOH 86 589 589 HOH TIP B . -D 2 HOH 87 591 591 HOH TIP B . -D 2 HOH 88 592 592 HOH TIP B . -D 2 HOH 89 595 595 HOH TIP B . -D 2 HOH 90 597 597 HOH TIP B . -D 2 HOH 91 601 601 HOH TIP B . -D 2 HOH 92 602 602 HOH TIP B . -D 2 HOH 93 604 604 HOH TIP B . -D 2 HOH 94 605 605 HOH TIP B . -D 2 HOH 95 607 607 HOH TIP B . -D 2 HOH 96 608 608 HOH TIP B . -D 2 HOH 97 611 611 HOH TIP B . -D 2 HOH 98 613 613 HOH TIP B . -D 2 HOH 99 615 615 HOH TIP B . -D 2 HOH 100 616 616 HOH TIP B . -D 2 HOH 101 617 617 HOH TIP B . -D 2 HOH 102 618 618 HOH TIP B . -D 2 HOH 103 619 619 HOH TIP B . -D 2 HOH 104 620 620 HOH TIP B . -D 2 HOH 105 624 624 HOH TIP B . -D 2 HOH 106 625 625 HOH TIP B . -D 2 HOH 107 627 627 HOH TIP B . -D 2 HOH 108 628 628 HOH TIP B . -D 2 HOH 109 629 629 HOH TIP B . -D 2 HOH 110 630 630 HOH TIP B . -D 2 HOH 111 632 632 HOH TIP B . -D 2 HOH 112 633 633 HOH TIP B . -D 2 HOH 113 634 634 HOH TIP B . -D 2 HOH 114 635 635 HOH TIP B . -D 2 HOH 115 637 637 HOH TIP B . -D 2 HOH 116 640 640 HOH TIP B . -D 2 HOH 117 641 641 HOH TIP B . -D 2 HOH 118 642 642 HOH TIP B . -D 2 HOH 119 643 643 HOH TIP B . -D 2 HOH 120 645 645 HOH TIP B . -D 2 HOH 121 647 647 HOH TIP B . -D 2 HOH 122 648 648 HOH TIP B . -D 2 HOH 123 649 649 HOH TIP B . -D 2 HOH 124 652 652 HOH TIP B . -D 2 HOH 125 656 656 HOH TIP B . -D 2 HOH 126 659 659 HOH TIP B . -D 2 HOH 127 660 660 HOH TIP B . -D 2 HOH 128 661 661 HOH TIP B . -D 2 HOH 129 665 665 HOH TIP B . -D 2 HOH 130 667 667 HOH TIP B . -D 2 HOH 131 669 669 HOH TIP B . -D 2 HOH 132 675 675 HOH TIP B . -D 2 HOH 133 677 677 HOH TIP B . -D 2 HOH 134 679 679 HOH TIP B . -D 2 HOH 135 680 680 HOH TIP B . -D 2 HOH 136 681 681 HOH TIP B . -D 2 HOH 137 683 683 HOH TIP B . -D 2 HOH 138 684 684 HOH TIP B . -D 2 HOH 139 686 686 HOH TIP B . -D 2 HOH 140 687 687 HOH TIP B . -D 2 HOH 141 688 688 HOH TIP B . -D 2 HOH 142 690 690 HOH TIP B . -D 2 HOH 143 691 691 HOH TIP B . -D 2 HOH 144 693 693 HOH TIP B . -D 2 HOH 145 694 694 HOH TIP B . -D 2 HOH 146 695 695 HOH TIP B . -D 2 HOH 147 697 697 HOH TIP B . -D 2 HOH 148 699 699 HOH TIP B . -D 2 HOH 149 700 700 HOH TIP B . -D 2 HOH 150 701 701 HOH TIP B . -D 2 HOH 151 704 704 HOH TIP B . -D 2 HOH 152 707 707 HOH TIP B . -D 2 HOH 153 710 710 HOH TIP B . -D 2 HOH 154 711 711 HOH TIP B . -D 2 HOH 155 714 714 HOH TIP B . -D 2 HOH 156 715 715 HOH TIP B . -D 2 HOH 157 716 716 HOH TIP B . -D 2 HOH 158 717 717 HOH TIP B . -D 2 HOH 159 720 720 HOH TIP B . -D 2 HOH 160 723 723 HOH TIP B . -D 2 HOH 161 726 726 HOH TIP B . -D 2 HOH 162 729 729 HOH TIP B . -D 2 HOH 163 730 730 HOH TIP B . -D 2 HOH 164 731 731 HOH TIP B . -D 2 HOH 165 732 732 HOH TIP B . -D 2 HOH 166 733 733 HOH TIP B . -D 2 HOH 167 735 735 HOH TIP B . -D 2 HOH 168 737 737 HOH TIP B . -D 2 HOH 169 739 739 HOH TIP B . -D 2 HOH 170 740 740 HOH TIP B . -D 2 HOH 171 743 743 HOH TIP B . -D 2 HOH 172 745 745 HOH TIP B . -D 2 HOH 173 749 749 HOH TIP B . -D 2 HOH 174 752 752 HOH TIP B . -D 2 HOH 175 753 753 HOH TIP B . -D 2 HOH 176 756 756 HOH TIP B . -D 2 HOH 177 757 757 HOH TIP B . -D 2 HOH 178 758 758 HOH TIP B . -D 2 HOH 179 759 759 HOH TIP B . -D 2 HOH 180 761 761 HOH TIP B . -D 2 HOH 181 763 763 HOH TIP B . -D 2 HOH 182 764 764 HOH TIP B . -D 2 HOH 183 765 765 HOH TIP B . -D 2 HOH 184 766 766 HOH TIP B . -D 2 HOH 185 770 770 HOH TIP B . -D 2 HOH 186 772 772 HOH TIP B . -D 2 HOH 187 775 775 HOH TIP B . -D 2 HOH 188 777 777 HOH TIP B . -D 2 HOH 189 778 778 HOH TIP B . -D 2 HOH 190 779 779 HOH TIP B . -D 2 HOH 191 780 780 HOH TIP B . -D 2 HOH 192 785 785 HOH TIP B . -D 2 HOH 193 786 786 HOH TIP B . -D 2 HOH 194 787 787 HOH TIP B . -D 2 HOH 195 789 789 HOH TIP B . -D 2 HOH 196 790 790 HOH TIP B . -D 2 HOH 197 794 794 HOH TIP B . -D 2 HOH 198 795 795 HOH TIP B . -D 2 HOH 199 796 796 HOH TIP B . -D 2 HOH 200 799 799 HOH TIP B . -D 2 HOH 201 800 800 HOH TIP B . -D 2 HOH 202 802 802 HOH TIP B . -D 2 HOH 203 805 805 HOH TIP B . -D 2 HOH 204 806 806 HOH TIP B . -D 2 HOH 205 807 807 HOH TIP B . -D 2 HOH 206 808 808 HOH TIP B . -D 2 HOH 207 809 809 HOH TIP B . -D 2 HOH 208 814 814 HOH TIP B . -D 2 HOH 209 815 815 HOH TIP B . -D 2 HOH 210 816 816 HOH TIP B . -D 2 HOH 211 823 823 HOH TIP B . -D 2 HOH 212 824 824 HOH TIP B . -D 2 HOH 213 825 825 HOH TIP B . -D 2 HOH 214 828 828 HOH TIP B . -D 2 HOH 215 829 829 HOH TIP B . -D 2 HOH 216 836 836 HOH TIP B . -D 2 HOH 217 842 842 HOH TIP B . -D 2 HOH 218 843 843 HOH TIP B . -D 2 HOH 219 844 844 HOH TIP B . -D 2 HOH 220 845 845 HOH TIP B . -D 2 HOH 221 853 853 HOH TIP B . -D 2 HOH 222 855 855 HOH TIP B . -D 2 HOH 223 856 856 HOH TIP B . -D 2 HOH 224 857 857 HOH TIP B . -D 2 HOH 225 861 861 HOH TIP B . -D 2 HOH 226 862 862 HOH TIP B . -D 2 HOH 227 865 865 HOH TIP B . -D 2 HOH 228 871 871 HOH TIP B . -D 2 HOH 229 872 872 HOH TIP B . -D 2 HOH 230 874 874 HOH TIP B . -D 2 HOH 231 875 875 HOH TIP B . -D 2 HOH 232 876 876 HOH TIP B . -D 2 HOH 233 878 878 HOH TIP B . -D 2 HOH 234 880 880 HOH TIP B . -D 2 HOH 235 881 881 HOH TIP B . -D 2 HOH 236 882 882 HOH TIP B . -D 2 HOH 237 883 883 HOH TIP B . -D 2 HOH 238 884 884 HOH TIP B . -D 2 HOH 239 886 886 HOH TIP B . -D 2 HOH 240 887 887 HOH TIP B . -D 2 HOH 241 893 893 HOH TIP B . -D 2 HOH 242 895 895 HOH TIP B . -D 2 HOH 243 897 897 HOH TIP B . -D 2 HOH 244 899 899 HOH TIP B . -D 2 HOH 245 900 900 HOH TIP B . -D 2 HOH 246 901 901 HOH TIP B . -D 2 HOH 247 902 902 HOH TIP B . -D 2 HOH 248 903 903 HOH TIP B . -D 2 HOH 249 905 905 HOH TIP B . -D 2 HOH 250 906 906 HOH TIP B . -D 2 HOH 251 909 909 HOH TIP B . -D 2 HOH 252 912 912 HOH TIP B . -D 2 HOH 253 918 918 HOH TIP B . -D 2 HOH 254 919 919 HOH TIP B . -D 2 HOH 255 921 921 HOH TIP B . -D 2 HOH 256 922 922 HOH TIP B . -D 2 HOH 257 923 923 HOH TIP B . -D 2 HOH 258 925 925 HOH TIP B . -D 2 HOH 259 931 931 HOH TIP B . -D 2 HOH 260 932 932 HOH TIP B . -D 2 HOH 261 933 933 HOH TIP B . -D 2 HOH 262 935 935 HOH TIP B . -D 2 HOH 263 936 936 HOH TIP B . -D 2 HOH 264 938 938 HOH TIP B . -D 2 HOH 265 939 939 HOH TIP B . -D 2 HOH 266 940 940 HOH TIP B . -D 2 HOH 267 943 943 HOH TIP B . -D 2 HOH 268 944 944 HOH TIP B . -D 2 HOH 269 945 945 HOH TIP B . -D 2 HOH 270 948 948 HOH TIP B . -D 2 HOH 271 949 949 HOH TIP B . -D 2 HOH 272 951 951 HOH TIP B . -D 2 HOH 273 952 952 HOH TIP B . -D 2 HOH 274 953 953 HOH TIP B . -D 2 HOH 275 961 961 HOH TIP B . -D 2 HOH 276 962 962 HOH TIP B . -D 2 HOH 277 964 964 HOH TIP B . -D 2 HOH 278 965 965 HOH TIP B . -D 2 HOH 279 967 967 HOH TIP B . -D 2 HOH 280 970 970 HOH TIP B . -D 2 HOH 281 971 971 HOH TIP B . -D 2 HOH 282 972 972 HOH TIP B . -D 2 HOH 283 974 974 HOH TIP B . -D 2 HOH 284 980 980 HOH TIP B . -D 2 HOH 285 983 983 HOH TIP B . -D 2 HOH 286 985 985 HOH TIP B . -D 2 HOH 287 986 986 HOH TIP B . -D 2 HOH 288 989 989 HOH TIP B . -D 2 HOH 289 991 991 HOH TIP B . -D 2 HOH 290 992 992 HOH TIP B . -D 2 HOH 291 993 993 HOH TIP B . -D 2 HOH 292 994 994 HOH TIP B . -D 2 HOH 293 995 995 HOH TIP B . -D 2 HOH 294 998 998 HOH TIP B . -D 2 HOH 295 1000 1000 HOH TIP B . -D 2 HOH 296 1001 1001 HOH TIP B . -D 2 HOH 297 1002 1002 HOH TIP B . -D 2 HOH 298 1007 1007 HOH TIP B . -D 2 HOH 299 1010 1010 HOH TIP B . -D 2 HOH 300 1011 1011 HOH TIP B . -D 2 HOH 301 1015 1015 HOH TIP B . -D 2 HOH 302 1016 1016 HOH TIP B . -D 2 HOH 303 1017 1017 HOH TIP B . -D 2 HOH 304 1018 1018 HOH TIP B . -D 2 HOH 305 1022 1022 HOH TIP B . -D 2 HOH 306 1023 1023 HOH TIP B . -D 2 HOH 307 1024 1024 HOH TIP B . -D 2 HOH 308 1028 1028 HOH TIP B . -D 2 HOH 309 1030 1030 HOH TIP B . -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -CNS refinement . ? 1 -d*TREK 'data reduction' . ? 2 -HKL-2000 'data scaling' . ? 3 -CNS phasing . ? 4 -# -_cell.entry_id 1KTN -_cell.length_a 62.566 -_cell.length_b 53.558 -_cell.length_c 81.365 -_cell.angle_alpha 90.00 -_cell.angle_beta 109.97 -_cell.angle_gamma 90.00 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 1KTN -_symmetry.space_group_name_H-M 'P 1 21 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 4 -# -_exptl.entry_id 1KTN -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_percent_sol 48.31 -_exptl_crystal.density_Matthews 2.38 -_exptl_crystal.description ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' -_exptl_crystal_grow.temp 298 -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 8.4 -_exptl_crystal_grow.pdbx_details '20% PEG4K, 0.2M MgCl2, 0.1M Tris_HCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K' -_exptl_crystal_grow.pdbx_pH_range . -# -_diffrn.id 1 -_diffrn.ambient_temp 100 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector CCD -_diffrn_detector.type SBC-1 -_diffrn_detector.pdbx_collection_date 2001-01-01 -_diffrn_detector.details mirrors -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator 'Si 111 CHANNEL' -_diffrn_radiation.pdbx_diffrn_protocol MAD -_diffrn_radiation.pdbx_scattering_type x-ray -# -loop_ -_diffrn_radiation_wavelength.id -_diffrn_radiation_wavelength.wavelength -_diffrn_radiation_wavelength.wt -1 0.9795 1.0 -2 0.9798 1.0 -3 0.9650 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source SYNCHROTRON -_diffrn_source.type 'APS BEAMLINE 19-BM' -_diffrn_source.pdbx_synchrotron_site APS -_diffrn_source.pdbx_synchrotron_beamline 19-BM -_diffrn_source.pdbx_wavelength ? -_diffrn_source.pdbx_wavelength_list '0.9795, 0.9798, 0.9650' -# -_reflns.entry_id 1KTN -_reflns.observed_criterion_sigma_I 2.0 -_reflns.observed_criterion_sigma_F 2.0 -_reflns.d_resolution_low 50 -_reflns.d_resolution_high 1.4 -_reflns.number_obs 98786 -_reflns.number_all 99282 -_reflns.percent_possible_obs 99.5 -_reflns.pdbx_Rmerge_I_obs 0.0780000 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI 20 -_reflns.B_iso_Wilson_estimate 9.1 -_reflns.pdbx_redundancy 6.0 -_reflns.R_free_details ? -_reflns.limit_h_max ? -_reflns.limit_h_min ? -_reflns.limit_k_max ? -_reflns.limit_k_min ? -_reflns.limit_l_max ? -_reflns.limit_l_min ? -_reflns.observed_criterion_F_max ? -_reflns.observed_criterion_F_min ? -_reflns.pdbx_diffrn_id 1 -_reflns.pdbx_ordinal 1 -# -_reflns_shell.d_res_high 1.40 -_reflns_shell.d_res_low 1.45 -_reflns_shell.percent_possible_all 98.2 -_reflns_shell.Rmerge_I_obs 0.3090000 -_reflns_shell.pdbx_Rsym_value ? -_reflns_shell.meanI_over_sigI_obs 2.44 -_reflns_shell.pdbx_redundancy 4.46 -_reflns_shell.percent_possible_obs ? -_reflns_shell.number_unique_all 9695 -_reflns_shell.pdbx_diffrn_id ? -_reflns_shell.pdbx_ordinal 1 -# -_refine.entry_id 1KTN -_refine.ls_number_reflns_obs 88731 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 1.0 -_refine.pdbx_data_cutoff_high_absF 354397.40 -_refine.pdbx_data_cutoff_low_absF 0.000000 -_refine.ls_d_res_low 38.65 -_refine.ls_d_res_high 1.40 -_refine.ls_percent_reflns_obs 88.9 -_refine.ls_R_factor_obs 0.1860000 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.1860000 -_refine.ls_R_factor_R_free 0.2050000 -_refine.ls_R_factor_R_free_error 0.003 -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free 5.0 -_refine.ls_number_reflns_R_free 4458 -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.B_iso_mean 10.3 -_refine.aniso_B[1][1] 0.70 -_refine.aniso_B[2][2] -0.14 -_refine.aniso_B[3][3] -0.56 -_refine.aniso_B[1][2] 0.00 -_refine.aniso_B[1][3] 0.68 -_refine.aniso_B[2][3] 0.00 -_refine.solvent_model_details 'FLAT MODEL' -_refine.solvent_model_param_ksol 0.373051 -_refine.solvent_model_param_bsol 44.6844 -_refine.pdbx_ls_cross_valid_method THROUGHOUT -_refine.details ? -_refine.pdbx_starting_model ? -_refine.pdbx_method_to_determine_struct MAD -_refine.pdbx_isotropic_thermal_model RESTRAINED -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details RANDOM -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_B ? -_refine.ls_redundancy_reflns_obs ? -_refine.B_iso_min ? -_refine.B_iso_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.overall_SU_R_free ? -_refine.overall_SU_ML ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_data_cutoff_high_rms_absF 354397.40 -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.pdbx_solvent_vdw_probe_radii ? -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.pdbx_diffrn_id 1 -_refine.pdbx_TLS_residual_ADP_flag ? -_refine.pdbx_overall_phase_error ? -_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_Blow_DPI ? -_refine.pdbx_overall_SU_R_free_Blow_DPI ? -# -_refine_analyze.entry_id 1KTN -_refine_analyze.Luzzati_coordinate_error_obs 0.14 -_refine_analyze.Luzzati_sigma_a_obs 0.03 -_refine_analyze.Luzzati_d_res_low_obs 5.00 -_refine_analyze.Luzzati_coordinate_error_free 0.16 -_refine_analyze.Luzzati_sigma_a_free 0.04 -_refine_analyze.Luzzati_d_res_low_free ? -_refine_analyze.number_disordered_residues ? -_refine_analyze.occupancy_sum_hydrogen ? -_refine_analyze.occupancy_sum_non_hydrogen ? -_refine_analyze.pdbx_Luzzati_d_res_high_obs ? -_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 3762 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 0 -_refine_hist.number_atoms_solvent 631 -_refine_hist.number_atoms_total 4393 -_refine_hist.d_res_high 1.40 -_refine_hist.d_res_low 38.65 -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -_refine_ls_restr.pdbx_restraint_function -c_bond_d 0.004 ? ? ? 'X-RAY DIFFRACTION' ? -c_angle_deg 1.3 ? ? ? 'X-RAY DIFFRACTION' ? -c_dihedral_angle_d 20.9 ? ? ? 'X-RAY DIFFRACTION' ? -c_improper_angle_d 0.88 ? ? ? 'X-RAY DIFFRACTION' ? -# -_refine_ls_shell.pdbx_total_number_of_bins_used 6 -_refine_ls_shell.d_res_high 1.40 -_refine_ls_shell.d_res_low 1.49 -_refine_ls_shell.number_reflns_R_work 10460 -_refine_ls_shell.R_factor_R_work 0.1870000 -_refine_ls_shell.percent_reflns_obs 66.6 -_refine_ls_shell.R_factor_R_free 0.1990000 -_refine_ls_shell.R_factor_R_free_error 0.008 -_refine_ls_shell.percent_reflns_R_free 5.0 -_refine_ls_shell.number_reflns_R_free 553 -_refine_ls_shell.number_reflns_obs ? -_refine_ls_shell.redundancy_reflns_obs ? -_refine_ls_shell.number_reflns_all ? -_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_ls_shell.R_factor_all ? -# -loop_ -_pdbx_xplor_file.serial_no -_pdbx_xplor_file.param_file -_pdbx_xplor_file.topol_file -_pdbx_xplor_file.pdbx_refine_id -1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' -2 WATER_REP.PARAM ATP.TOP 'X-RAY DIFFRACTION' -# -_database_PDB_matrix.entry_id 1KTN -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_struct.entry_id 1KTN -_struct.title 'Structural Genomics, Protein EC1535' -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 1KTN -_struct_keywords.pdbx_keywords 'STRUCTURAL GENOMICS, LYASE' -_struct_keywords.text -'BETA BARREL, STRUCTURAL GENOMICS, PSI, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, LYASE' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 1 ? -C N N 2 ? -D N N 2 ? -# -_struct_ref.id 1 -_struct_ref.db_name UNP -_struct_ref.db_code DEOC_ECOLI -_struct_ref.entity_id 1 -_struct_ref.pdbx_seq_one_letter_code -;MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTLKEQGTPEIRIATVTNFPHGN -DDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIK -AGADFIKTSTGKVAVNATPESARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL -LASLLKALGH -; -_struct_ref.pdbx_align_begin 1 -_struct_ref.pdbx_db_accession P0A6L0 -_struct_ref.pdbx_db_isoform ? -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 1KTN A 1 ? 250 ? P0A6L0 1 ? 250 ? 1 250 -2 1 1KTN B 1 ? 250 ? P0A6L0 1 ? 250 ? 1 250 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details dimeric -_pdbx_struct_assembly.oligomeric_count 2 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -_struct_biol.id 1 -_struct_biol.details -;EC1535 existed as monomer. Chain A -and Chain B represent two molecules -in asymmetric unit. -; -_struct_biol.pdbx_parent_biol_id ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 MET A 1 ? LYS A 13 ? MET A 1 LYS A 13 1 ? 13 -HELX_P HELX_P2 2 THR A 25 ? ALA A 36 ? THR A 25 ALA A 36 1 ? 12 -HELX_P HELX_P3 3 TYR A 49 ? ARG A 51 ? TYR A 49 ARG A 51 5 ? 3 -HELX_P HELX_P4 4 PHE A 52 ? GLN A 63 ? PHE A 52 GLN A 63 1 ? 12 -HELX_P HELX_P5 5 ASP A 82 ? GLY A 97 ? ASP A 82 GLY A 97 1 ? 16 -HELX_P HELX_P6 6 PRO A 106 ? ALA A 112 ? PRO A 106 ALA A 112 1 ? 7 -HELX_P HELX_P7 7 GLU A 115 ? ALA A 132 ? GLU A 115 ALA A 132 1 ? 18 -HELX_P HELX_P8 8 GLU A 141 ? LYS A 146 ? GLU A 141 LYS A 146 1 ? 6 -HELX_P HELX_P9 9 ASP A 147 ? ALA A 161 ? ASP A 147 ALA A 161 1 ? 15 -HELX_P HELX_P10 10 THR A 178 ? GLY A 193 ? THR A 178 GLY A 193 1 ? 16 -HELX_P HELX_P11 11 THR A 208 ? GLY A 224 ? THR A 208 GLY A 224 1 ? 17 -HELX_P HELX_P12 12 SER A 239 ? LEU A 248 ? SER A 239 LEU A 248 1 ? 10 -HELX_P HELX_P13 13 THR B 2 ? LYS B 13 ? THR B 2 LYS B 13 1 ? 12 -HELX_P HELX_P14 14 THR B 25 ? ALA B 36 ? THR B 25 ALA B 36 1 ? 12 -HELX_P HELX_P15 15 TYR B 49 ? ARG B 51 ? TYR B 49 ARG B 51 5 ? 3 -HELX_P HELX_P16 16 PHE B 52 ? GLN B 63 ? PHE B 52 GLN B 63 1 ? 12 -HELX_P HELX_P17 17 ASP B 82 ? GLY B 97 ? ASP B 82 GLY B 97 1 ? 16 -HELX_P HELX_P18 18 PRO B 106 ? ALA B 112 ? PRO B 106 ALA B 112 1 ? 7 -HELX_P HELX_P19 19 GLU B 115 ? ALA B 132 ? GLU B 115 ALA B 132 1 ? 18 -HELX_P HELX_P20 20 GLU B 141 ? LYS B 146 ? GLU B 141 LYS B 146 1 ? 6 -HELX_P HELX_P21 21 ASP B 147 ? ALA B 161 ? ASP B 147 ALA B 161 1 ? 15 -HELX_P HELX_P22 22 THR B 178 ? GLY B 193 ? THR B 178 GLY B 193 1 ? 16 -HELX_P HELX_P23 23 THR B 208 ? GLY B 224 ? THR B 208 GLY B 224 1 ? 17 -HELX_P HELX_P24 24 SER B 239 ? LEU B 248 ? SER B 239 LEU B 248 1 ? 10 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_mon_prot_cis.pdbx_id -_struct_mon_prot_cis.label_comp_id -_struct_mon_prot_cis.label_seq_id -_struct_mon_prot_cis.label_asym_id -_struct_mon_prot_cis.label_alt_id -_struct_mon_prot_cis.pdbx_PDB_ins_code -_struct_mon_prot_cis.auth_comp_id -_struct_mon_prot_cis.auth_seq_id -_struct_mon_prot_cis.auth_asym_id -_struct_mon_prot_cis.pdbx_label_comp_id_2 -_struct_mon_prot_cis.pdbx_label_seq_id_2 -_struct_mon_prot_cis.pdbx_label_asym_id_2 -_struct_mon_prot_cis.pdbx_PDB_ins_code_2 -_struct_mon_prot_cis.pdbx_auth_comp_id_2 -_struct_mon_prot_cis.pdbx_auth_seq_id_2 -_struct_mon_prot_cis.pdbx_auth_asym_id_2 -_struct_mon_prot_cis.pdbx_PDB_model_num -_struct_mon_prot_cis.pdbx_omega_angle -1 PHE 76 A . ? PHE 76 A PRO 77 A ? PRO 77 A 1 -0.11 -2 PHE 76 B . ? PHE 76 B PRO 77 B ? PRO 77 B 1 -0.15 -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -A ? 8 ? -B ? 2 ? -C ? 8 ? -D ? 2 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? parallel -A 2 3 ? parallel -A 3 4 ? parallel -A 4 5 ? parallel -A 5 6 ? parallel -A 6 7 ? parallel -A 7 8 ? parallel -B 1 2 ? anti-parallel -C 1 2 ? parallel -C 2 3 ? parallel -C 3 4 ? parallel -C 4 5 ? parallel -C 5 6 ? parallel -C 6 7 ? parallel -C 7 8 ? parallel -D 1 2 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 GLY A 199 ? LYS A 201 ? GLY A 199 LYS A 201 -A 2 PHE A 165 ? LYS A 167 ? PHE A 165 LYS A 167 -A 3 LEU A 135 ? ILE A 139 ? LEU A 135 ILE A 139 -A 4 GLU A 100 ? VAL A 104 ? GLU A 100 VAL A 104 -A 5 ARG A 69 ? THR A 74 ? ARG A 69 THR A 74 -A 6 ALA A 45 ? ILE A 48 ? ALA A 45 ILE A 48 -A 7 MET A 15 ? THR A 18 ? MET A 15 THR A 18 -A 8 PHE A 235 ? ALA A 237 ? PHE A 235 ALA A 237 -B 1 LYS A 37 ? THR A 38 ? LYS A 37 THR A 38 -B 2 GLY A 41 ? ASN A 42 ? GLY A 41 ASN A 42 -C 1 GLY B 199 ? LYS B 201 ? GLY B 199 LYS B 201 -C 2 PHE B 165 ? LYS B 167 ? PHE B 165 LYS B 167 -C 3 LEU B 135 ? ILE B 139 ? LEU B 135 ILE B 139 -C 4 GLU B 100 ? VAL B 104 ? GLU B 100 VAL B 104 -C 5 ARG B 69 ? THR B 74 ? ARG B 69 THR B 74 -C 6 ALA B 45 ? ILE B 48 ? ALA B 45 ILE B 48 -C 7 MET B 15 ? THR B 18 ? MET B 15 THR B 18 -C 8 PHE B 235 ? ALA B 237 ? PHE B 235 ALA B 237 -D 1 LYS B 37 ? THR B 38 ? LYS B 37 THR B 38 -D 2 GLY B 41 ? ASN B 42 ? GLY B 41 ASN B 42 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 O GLY A 199 ? O GLY A 199 N ILE A 166 ? N ILE A 166 -A 2 3 O LYS A 167 ? O LYS A 167 N VAL A 138 ? N VAL A 138 -A 3 4 O ILE A 139 ? O ILE A 139 N VAL A 103 ? N VAL A 103 -A 4 5 O ASP A 102 ? O ASP A 102 N THR A 72 ? N THR A 72 -A 5 6 O ALA A 71 ? O ALA A 71 N ILE A 46 ? N ILE A 46 -A 6 7 O ALA A 45 ? O ALA A 45 N LEU A 17 ? N LEU A 17 -A 7 8 N ASP A 16 ? N ASP A 16 O PHE A 235 ? O PHE A 235 -B 1 2 N THR A 38 ? N THR A 38 O GLY A 41 ? O GLY A 41 -C 1 2 O GLY B 199 ? O GLY B 199 N ILE B 166 ? N ILE B 166 -C 2 3 O LYS B 167 ? O LYS B 167 N VAL B 138 ? N VAL B 138 -C 3 4 O ILE B 139 ? O ILE B 139 N VAL B 103 ? N VAL B 103 -C 4 5 O ASP B 102 ? O ASP B 102 N THR B 72 ? N THR B 72 -C 5 6 O ALA B 71 ? O ALA B 71 N ILE B 46 ? N ILE B 46 -C 6 7 O ALA B 45 ? O ALA B 45 N LEU B 17 ? N LEU B 17 -C 7 8 N ASP B 16 ? N ASP B 16 O PHE B 235 ? O PHE B 235 -D 1 2 N THR B 38 ? N THR B 38 O GLY B 41 ? O GLY B 41 -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.label_alt_id -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 LYS A 146 ? ? 66.81 -57.44 -2 1 ASN A 176 ? ? -118.44 -129.30 -3 1 SER A 238 ? ? -135.52 -77.68 -4 1 GLU B 141 ? ? 61.64 65.47 -5 1 LYS B 146 ? ? 66.07 -58.26 -6 1 ASN B 176 ? ? -120.11 -131.63 -7 1 ALA B 228 ? ? -69.98 63.37 -8 1 SER B 238 ? ? -133.08 -77.89 -# -_pdbx_SG_project.id 1 -_pdbx_SG_project.project_name 'PSI, Protein Structure Initiative' -_pdbx_SG_project.full_name_of_center 'Midwest Center for Structural Genomics' -_pdbx_SG_project.initial_of_center MCSG -# -_pdbx_unobs_or_zero_occ_residues.id 1 -_pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 -_pdbx_unobs_or_zero_occ_residues.polymer_flag Y -_pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 -_pdbx_unobs_or_zero_occ_residues.auth_asym_id B -_pdbx_unobs_or_zero_occ_residues.auth_comp_id MET -_pdbx_unobs_or_zero_occ_residues.auth_seq_id 1 -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? -_pdbx_unobs_or_zero_occ_residues.label_asym_id B -_pdbx_unobs_or_zero_occ_residues.label_comp_id MET -_pdbx_unobs_or_zero_occ_residues.label_seq_id 1 -# -loop_ -_chem_comp_atom.comp_id -_chem_comp_atom.atom_id -_chem_comp_atom.type_symbol -_chem_comp_atom.pdbx_aromatic_flag -_chem_comp_atom.pdbx_stereo_config -_chem_comp_atom.pdbx_ordinal -ALA N N N N 1 -ALA CA C N S 2 -ALA C C N N 3 -ALA O O N N 4 -ALA CB C N N 5 -ALA OXT O N N 6 -ALA H H N N 7 -ALA H2 H N N 8 -ALA HA H N N 9 -ALA HB1 H N N 10 -ALA HB2 H N N 11 -ALA HB3 H N N 12 -ALA HXT H N N 13 -ARG N N N N 14 -ARG CA C N S 15 -ARG C C N N 16 -ARG O O N N 17 -ARG CB C N N 18 -ARG CG C N N 19 -ARG CD C N N 20 -ARG NE N N N 21 -ARG CZ C N N 22 -ARG NH1 N N N 23 -ARG NH2 N N N 24 -ARG OXT O N N 25 -ARG H H N N 26 -ARG H2 H N N 27 -ARG HA H N N 28 -ARG HB2 H N N 29 -ARG HB3 H N N 30 -ARG HG2 H N N 31 -ARG HG3 H N N 32 -ARG HD2 H N N 33 -ARG HD3 H N N 34 -ARG HE H N N 35 -ARG HH11 H N N 36 -ARG HH12 H N N 37 -ARG HH21 H N N 38 -ARG HH22 H N N 39 -ARG HXT H N N 40 -ASN N N N N 41 -ASN CA C N S 42 -ASN C C N N 43 -ASN O O N N 44 -ASN CB C N N 45 -ASN CG C N N 46 -ASN OD1 O N N 47 -ASN ND2 N N N 48 -ASN OXT O N N 49 -ASN H H N N 50 -ASN H2 H N N 51 -ASN HA H N N 52 -ASN HB2 H N N 53 -ASN HB3 H N N 54 -ASN HD21 H N N 55 -ASN HD22 H N N 56 -ASN HXT H N N 57 -ASP N N N N 58 -ASP CA C N S 59 -ASP C C N N 60 -ASP O O N N 61 -ASP CB C N N 62 -ASP CG C N N 63 -ASP OD1 O N N 64 -ASP OD2 O N N 65 -ASP OXT O N N 66 -ASP H H N N 67 -ASP H2 H N N 68 -ASP HA H N N 69 -ASP HB2 H N N 70 -ASP HB3 H N N 71 -ASP HD2 H N N 72 -ASP HXT H N N 73 -CYS N N N N 74 -CYS CA C N R 75 -CYS C C N N 76 -CYS O O N N 77 -CYS CB C N N 78 -CYS SG S N N 79 -CYS OXT O N N 80 -CYS H H N N 81 -CYS H2 H N N 82 -CYS HA H N N 83 -CYS HB2 H N N 84 -CYS HB3 H N N 85 -CYS HG H N N 86 -CYS HXT H N N 87 -GLN N N N N 88 -GLN CA C N S 89 -GLN C C N N 90 -GLN O O N N 91 -GLN CB C N N 92 -GLN CG C N N 93 -GLN CD C N N 94 -GLN OE1 O N N 95 -GLN NE2 N N N 96 -GLN OXT O N N 97 -GLN H H N N 98 -GLN H2 H N N 99 -GLN HA H N N 100 -GLN HB2 H N N 101 -GLN HB3 H N N 102 -GLN HG2 H N N 103 -GLN HG3 H N N 104 -GLN HE21 H N N 105 -GLN HE22 H N N 106 -GLN HXT H N N 107 -GLU N N N N 108 -GLU CA C N S 109 -GLU C C N N 110 -GLU O O N N 111 -GLU CB C N N 112 -GLU CG C N N 113 -GLU CD C N N 114 -GLU OE1 O N N 115 -GLU OE2 O N N 116 -GLU OXT O N N 117 -GLU H H N N 118 -GLU H2 H N N 119 -GLU HA H N N 120 -GLU HB2 H N N 121 -GLU HB3 H N N 122 -GLU HG2 H N N 123 -GLU HG3 H N N 124 -GLU HE2 H N N 125 -GLU HXT H N N 126 -GLY N N N N 127 -GLY CA C N N 128 -GLY C C N N 129 -GLY O O N N 130 -GLY OXT O N N 131 -GLY H H N N 132 -GLY H2 H N N 133 -GLY HA2 H N N 134 -GLY HA3 H N N 135 -GLY HXT H N N 136 -HIS N N N N 137 -HIS CA C N S 138 -HIS C C N N 139 -HIS O O N N 140 -HIS CB C N N 141 -HIS CG C Y N 142 -HIS ND1 N Y N 143 -HIS CD2 C Y N 144 -HIS CE1 C Y N 145 -HIS NE2 N Y N 146 -HIS OXT O N N 147 -HIS H H N N 148 -HIS H2 H N N 149 -HIS HA H N N 150 -HIS HB2 H N N 151 -HIS HB3 H N N 152 -HIS HD1 H N N 153 -HIS HD2 H N N 154 -HIS HE1 H N N 155 -HIS HE2 H N N 156 -HIS HXT H N N 157 -HOH O O N N 158 -HOH H1 H N N 159 -HOH H2 H N N 160 -ILE N N N N 161 -ILE CA C N S 162 -ILE C C N N 163 -ILE O O N N 164 -ILE CB C N S 165 -ILE CG1 C N N 166 -ILE CG2 C N N 167 -ILE CD1 C N N 168 -ILE OXT O N N 169 -ILE H H N N 170 -ILE H2 H N N 171 -ILE HA H N N 172 -ILE HB H N N 173 -ILE HG12 H N N 174 -ILE HG13 H N N 175 -ILE HG21 H N N 176 -ILE HG22 H N N 177 -ILE HG23 H N N 178 -ILE HD11 H N N 179 -ILE HD12 H N N 180 -ILE HD13 H N N 181 -ILE HXT H N N 182 -LEU N N N N 183 -LEU CA C N S 184 -LEU C C N N 185 -LEU O O N N 186 -LEU CB C N N 187 -LEU CG C N N 188 -LEU CD1 C N N 189 -LEU CD2 C N N 190 -LEU OXT O N N 191 -LEU H H N N 192 -LEU H2 H N N 193 -LEU HA H N N 194 -LEU HB2 H N N 195 -LEU HB3 H N N 196 -LEU HG H N N 197 -LEU HD11 H N N 198 -LEU HD12 H N N 199 -LEU HD13 H N N 200 -LEU HD21 H N N 201 -LEU HD22 H N N 202 -LEU HD23 H N N 203 -LEU HXT H N N 204 -LYS N N N N 205 -LYS CA C N S 206 -LYS C C N N 207 -LYS O O N N 208 -LYS CB C N N 209 -LYS CG C N N 210 -LYS CD C N N 211 -LYS CE C N N 212 -LYS NZ N N N 213 -LYS OXT O N N 214 -LYS H H N N 215 -LYS H2 H N N 216 -LYS HA H N N 217 -LYS HB2 H N N 218 -LYS HB3 H N N 219 -LYS HG2 H N N 220 -LYS HG3 H N N 221 -LYS HD2 H N N 222 -LYS HD3 H N N 223 -LYS HE2 H N N 224 -LYS HE3 H N N 225 -LYS HZ1 H N N 226 -LYS HZ2 H N N 227 -LYS HZ3 H N N 228 -LYS HXT H N N 229 -MET N N N N 230 -MET CA C N S 231 -MET C C N N 232 -MET O O N N 233 -MET CB C N N 234 -MET CG C N N 235 -MET SD S N N 236 -MET CE C N N 237 -MET OXT O N N 238 -MET H H N N 239 -MET H2 H N N 240 -MET HA H N N 241 -MET HB2 H N N 242 -MET HB3 H N N 243 -MET HG2 H N N 244 -MET HG3 H N N 245 -MET HE1 H N N 246 -MET HE2 H N N 247 -MET HE3 H N N 248 -MET HXT H N N 249 -PHE N N N N 250 -PHE CA C N S 251 -PHE C C N N 252 -PHE O O N N 253 -PHE CB C N N 254 -PHE CG C Y N 255 -PHE CD1 C Y N 256 -PHE CD2 C Y N 257 -PHE CE1 C Y N 258 -PHE CE2 C Y N 259 -PHE CZ C Y N 260 -PHE OXT O N N 261 -PHE H H N N 262 -PHE H2 H N N 263 -PHE HA H N N 264 -PHE HB2 H N N 265 -PHE HB3 H N N 266 -PHE HD1 H N N 267 -PHE HD2 H N N 268 -PHE HE1 H N N 269 -PHE HE2 H N N 270 -PHE HZ H N N 271 -PHE HXT H N N 272 -PRO N N N N 273 -PRO CA C N S 274 -PRO C C N N 275 -PRO O O N N 276 -PRO CB C N N 277 -PRO CG C N N 278 -PRO CD C N N 279 -PRO OXT O N N 280 -PRO H H N N 281 -PRO HA H N N 282 -PRO HB2 H N N 283 -PRO HB3 H N N 284 -PRO HG2 H N N 285 -PRO HG3 H N N 286 -PRO HD2 H N N 287 -PRO HD3 H N N 288 -PRO HXT H N N 289 -SER N N N N 290 -SER CA C N S 291 -SER C C N N 292 -SER O O N N 293 -SER CB C N N 294 -SER OG O N N 295 -SER OXT O N N 296 -SER H H N N 297 -SER H2 H N N 298 -SER HA H N N 299 -SER HB2 H N N 300 -SER HB3 H N N 301 -SER HG H N N 302 -SER HXT H N N 303 -THR N N N N 304 -THR CA C N S 305 -THR C C N N 306 -THR O O N N 307 -THR CB C N R 308 -THR OG1 O N N 309 -THR CG2 C N N 310 -THR OXT O N N 311 -THR H H N N 312 -THR H2 H N N 313 -THR HA H N N 314 -THR HB H N N 315 -THR HG1 H N N 316 -THR HG21 H N N 317 -THR HG22 H N N 318 -THR HG23 H N N 319 -THR HXT H N N 320 -TRP N N N N 321 -TRP CA C N S 322 -TRP C C N N 323 -TRP O O N N 324 -TRP CB C N N 325 -TRP CG C Y N 326 -TRP CD1 C Y N 327 -TRP CD2 C Y N 328 -TRP NE1 N Y N 329 -TRP CE2 C Y N 330 -TRP CE3 C Y N 331 -TRP CZ2 C Y N 332 -TRP CZ3 C Y N 333 -TRP CH2 C Y N 334 -TRP OXT O N N 335 -TRP H H N N 336 -TRP H2 H N N 337 -TRP HA H N N 338 -TRP HB2 H N N 339 -TRP HB3 H N N 340 -TRP HD1 H N N 341 -TRP HE1 H N N 342 -TRP HE3 H N N 343 -TRP HZ2 H N N 344 -TRP HZ3 H N N 345 -TRP HH2 H N N 346 -TRP HXT H N N 347 -TYR N N N N 348 -TYR CA C N S 349 -TYR C C N N 350 -TYR O O N N 351 -TYR CB C N N 352 -TYR CG C Y N 353 -TYR CD1 C Y N 354 -TYR CD2 C Y N 355 -TYR CE1 C Y N 356 -TYR CE2 C Y N 357 -TYR CZ C Y N 358 -TYR OH O N N 359 -TYR OXT O N N 360 -TYR H H N N 361 -TYR H2 H N N 362 -TYR HA H N N 363 -TYR HB2 H N N 364 -TYR HB3 H N N 365 -TYR HD1 H N N 366 -TYR HD2 H N N 367 -TYR HE1 H N N 368 -TYR HE2 H N N 369 -TYR HH H N N 370 -TYR HXT H N N 371 -VAL N N N N 372 -VAL CA C N S 373 -VAL C C N N 374 -VAL O O N N 375 -VAL CB C N N 376 -VAL CG1 C N N 377 -VAL CG2 C N N 378 -VAL OXT O N N 379 -VAL H H N N 380 -VAL H2 H N N 381 -VAL HA H N N 382 -VAL HB H N N 383 -VAL HG11 H N N 384 -VAL HG12 H N N 385 -VAL HG13 H N N 386 -VAL HG21 H N N 387 -VAL HG22 H N N 388 -VAL HG23 H N N 389 -VAL HXT H N N 390 -# -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -ALA N CA sing N N 1 -ALA N H sing N N 2 -ALA N H2 sing N N 3 -ALA CA C sing N N 4 -ALA CA CB sing N N 5 -ALA CA HA sing N N 6 -ALA C O doub N N 7 -ALA C OXT sing N N 8 -ALA CB HB1 sing N N 9 -ALA CB HB2 sing N N 10 -ALA CB HB3 sing N N 11 -ALA OXT HXT sing N N 12 -ARG N CA sing N N 13 -ARG N H sing N N 14 -ARG N H2 sing N N 15 -ARG CA C sing N N 16 -ARG CA CB sing N N 17 -ARG CA HA sing N N 18 -ARG C O doub N N 19 -ARG C OXT sing N N 20 -ARG CB CG sing N N 21 -ARG CB HB2 sing N N 22 -ARG CB HB3 sing N N 23 -ARG CG CD sing N N 24 -ARG CG HG2 sing N N 25 -ARG CG HG3 sing N N 26 -ARG CD NE sing N N 27 -ARG CD HD2 sing N N 28 -ARG CD HD3 sing N N 29 -ARG NE CZ sing N N 30 -ARG NE HE sing N N 31 -ARG CZ NH1 sing N N 32 -ARG CZ NH2 doub N N 33 -ARG NH1 HH11 sing N N 34 -ARG NH1 HH12 sing N N 35 -ARG NH2 HH21 sing N N 36 -ARG NH2 HH22 sing N N 37 -ARG OXT HXT sing N N 38 -ASN N CA sing N N 39 -ASN N H sing N N 40 -ASN N H2 sing N N 41 -ASN CA C sing N N 42 -ASN CA CB sing N N 43 -ASN CA HA sing N N 44 -ASN C O doub N N 45 -ASN C OXT sing N N 46 -ASN CB CG sing N N 47 -ASN CB HB2 sing N N 48 -ASN CB HB3 sing N N 49 -ASN CG OD1 doub N N 50 -ASN CG ND2 sing N N 51 -ASN ND2 HD21 sing N N 52 -ASN ND2 HD22 sing N N 53 -ASN OXT HXT sing N N 54 -ASP N CA sing N N 55 -ASP N H sing N N 56 -ASP N H2 sing N N 57 -ASP CA C sing N N 58 -ASP CA CB sing N N 59 -ASP CA HA sing N N 60 -ASP C O doub N N 61 -ASP C OXT sing N N 62 -ASP CB CG sing N N 63 -ASP CB HB2 sing N N 64 -ASP CB HB3 sing N N 65 -ASP CG OD1 doub N N 66 -ASP CG OD2 sing N N 67 -ASP OD2 HD2 sing N N 68 -ASP OXT HXT sing N N 69 -CYS N CA sing N N 70 -CYS N H sing N N 71 -CYS N H2 sing N N 72 -CYS CA C sing N N 73 -CYS CA CB sing N N 74 -CYS CA HA sing N N 75 -CYS C O doub N N 76 -CYS C OXT sing N N 77 -CYS CB SG sing N N 78 -CYS CB HB2 sing N N 79 -CYS CB HB3 sing N N 80 -CYS SG HG sing N N 81 -CYS OXT HXT sing N N 82 -GLN N CA sing N N 83 -GLN N H sing N N 84 -GLN N H2 sing N N 85 -GLN CA C sing N N 86 -GLN CA CB sing N N 87 -GLN CA HA sing N N 88 -GLN C O doub N N 89 -GLN C OXT sing N N 90 -GLN CB CG sing N N 91 -GLN CB HB2 sing N N 92 -GLN CB HB3 sing N N 93 -GLN CG CD sing N N 94 -GLN CG HG2 sing N N 95 -GLN CG HG3 sing N N 96 -GLN CD OE1 doub N N 97 -GLN CD NE2 sing N N 98 -GLN NE2 HE21 sing N N 99 -GLN NE2 HE22 sing N N 100 -GLN OXT HXT sing N N 101 -GLU N CA sing N N 102 -GLU N H sing N N 103 -GLU N H2 sing N N 104 -GLU CA C sing N N 105 -GLU CA CB sing N N 106 -GLU CA HA sing N N 107 -GLU C O doub N N 108 -GLU C OXT sing N N 109 -GLU CB CG sing N N 110 -GLU CB HB2 sing N N 111 -GLU CB HB3 sing N N 112 -GLU CG CD sing N N 113 -GLU CG HG2 sing N N 114 -GLU CG HG3 sing N N 115 -GLU CD OE1 doub N N 116 -GLU CD OE2 sing N N 117 -GLU OE2 HE2 sing N N 118 -GLU OXT HXT sing N N 119 -GLY N CA sing N N 120 -GLY N H sing N N 121 -GLY N H2 sing N N 122 -GLY CA C sing N N 123 -GLY CA HA2 sing N N 124 -GLY CA HA3 sing N N 125 -GLY C O doub N N 126 -GLY C OXT sing N N 127 -GLY OXT HXT sing N N 128 -HIS N CA sing N N 129 -HIS N H sing N N 130 -HIS N H2 sing N N 131 -HIS CA C sing N N 132 -HIS CA CB sing N N 133 -HIS CA HA sing N N 134 -HIS C O doub N N 135 -HIS C OXT sing N N 136 -HIS CB CG sing N N 137 -HIS CB HB2 sing N N 138 -HIS CB HB3 sing N N 139 -HIS CG ND1 sing Y N 140 -HIS CG CD2 doub Y N 141 -HIS ND1 CE1 doub Y N 142 -HIS ND1 HD1 sing N N 143 -HIS CD2 NE2 sing Y N 144 -HIS CD2 HD2 sing N N 145 -HIS CE1 NE2 sing Y N 146 -HIS CE1 HE1 sing N N 147 -HIS NE2 HE2 sing N N 148 -HIS OXT HXT sing N N 149 -HOH O H1 sing N N 150 -HOH O H2 sing N N 151 -ILE N CA sing N N 152 -ILE N H sing N N 153 -ILE N H2 sing N N 154 -ILE CA C sing N N 155 -ILE CA CB sing N N 156 -ILE CA HA sing N N 157 -ILE C O doub N N 158 -ILE C OXT sing N N 159 -ILE CB CG1 sing N N 160 -ILE CB CG2 sing N N 161 -ILE CB HB sing N N 162 -ILE CG1 CD1 sing N N 163 -ILE CG1 HG12 sing N N 164 -ILE CG1 HG13 sing N N 165 -ILE CG2 HG21 sing N N 166 -ILE CG2 HG22 sing N N 167 -ILE CG2 HG23 sing N N 168 -ILE CD1 HD11 sing N N 169 -ILE CD1 HD12 sing N N 170 -ILE CD1 HD13 sing N N 171 -ILE OXT HXT sing N N 172 -LEU N CA sing N N 173 -LEU N H sing N N 174 -LEU N H2 sing N N 175 -LEU CA C sing N N 176 -LEU CA CB sing N N 177 -LEU CA HA sing N N 178 -LEU C O doub N N 179 -LEU C OXT sing N N 180 -LEU CB CG sing N N 181 -LEU CB HB2 sing N N 182 -LEU CB HB3 sing N N 183 -LEU CG CD1 sing N N 184 -LEU CG CD2 sing N N 185 -LEU CG HG sing N N 186 -LEU CD1 HD11 sing N N 187 -LEU CD1 HD12 sing N N 188 -LEU CD1 HD13 sing N N 189 -LEU CD2 HD21 sing N N 190 -LEU CD2 HD22 sing N N 191 -LEU CD2 HD23 sing N N 192 -LEU OXT HXT sing N N 193 -LYS N CA sing N N 194 -LYS N H sing N N 195 -LYS N H2 sing N N 196 -LYS CA C sing N N 197 -LYS CA CB sing N N 198 -LYS CA HA sing N N 199 -LYS C O doub N N 200 -LYS C OXT sing N N 201 -LYS CB CG sing N N 202 -LYS CB HB2 sing N N 203 -LYS CB HB3 sing N N 204 -LYS CG CD sing N N 205 -LYS CG HG2 sing N N 206 -LYS CG HG3 sing N N 207 -LYS CD CE sing N N 208 -LYS CD HD2 sing N N 209 -LYS CD HD3 sing N N 210 -LYS CE NZ sing N N 211 -LYS CE HE2 sing N N 212 -LYS CE HE3 sing N N 213 -LYS NZ HZ1 sing N N 214 -LYS NZ HZ2 sing N N 215 -LYS NZ HZ3 sing N N 216 -LYS OXT HXT sing N N 217 -MET N CA sing N N 218 -MET N H sing N N 219 -MET N H2 sing N N 220 -MET CA C sing N N 221 -MET CA CB sing N N 222 -MET CA HA sing N N 223 -MET C O doub N N 224 -MET C OXT sing N N 225 -MET CB CG sing N N 226 -MET CB HB2 sing N N 227 -MET CB HB3 sing N N 228 -MET CG SD sing N N 229 -MET CG HG2 sing N N 230 -MET CG HG3 sing N N 231 -MET SD CE sing N N 232 -MET CE HE1 sing N N 233 -MET CE HE2 sing N N 234 -MET CE HE3 sing N N 235 -MET OXT HXT sing N N 236 -PHE N CA sing N N 237 -PHE N H sing N N 238 -PHE N H2 sing N N 239 -PHE CA C sing N N 240 -PHE CA CB sing N N 241 -PHE CA HA sing N N 242 -PHE C O doub N N 243 -PHE C OXT sing N N 244 -PHE CB CG sing N N 245 -PHE CB HB2 sing N N 246 -PHE CB HB3 sing N N 247 -PHE CG CD1 doub Y N 248 -PHE CG CD2 sing Y N 249 -PHE CD1 CE1 sing Y N 250 -PHE CD1 HD1 sing N N 251 -PHE CD2 CE2 doub Y N 252 -PHE CD2 HD2 sing N N 253 -PHE CE1 CZ doub Y N 254 -PHE CE1 HE1 sing N N 255 -PHE CE2 CZ sing Y N 256 -PHE CE2 HE2 sing N N 257 -PHE CZ HZ sing N N 258 -PHE OXT HXT sing N N 259 -PRO N CA sing N N 260 -PRO N CD sing N N 261 -PRO N H sing N N 262 -PRO CA C sing N N 263 -PRO CA CB sing N N 264 -PRO CA HA sing N N 265 -PRO C O doub N N 266 -PRO C OXT sing N N 267 -PRO CB CG sing N N 268 -PRO CB HB2 sing N N 269 -PRO CB HB3 sing N N 270 -PRO CG CD sing N N 271 -PRO CG HG2 sing N N 272 -PRO CG HG3 sing N N 273 -PRO CD HD2 sing N N 274 -PRO CD HD3 sing N N 275 -PRO OXT HXT sing N N 276 -SER N CA sing N N 277 -SER N H sing N N 278 -SER N H2 sing N N 279 -SER CA C sing N N 280 -SER CA CB sing N N 281 -SER CA HA sing N N 282 -SER C O doub N N 283 -SER C OXT sing N N 284 -SER CB OG sing N N 285 -SER CB HB2 sing N N 286 -SER CB HB3 sing N N 287 -SER OG HG sing N N 288 -SER OXT HXT sing N N 289 -THR N CA sing N N 290 -THR N H sing N N 291 -THR N H2 sing N N 292 -THR CA C sing N N 293 -THR CA CB sing N N 294 -THR CA HA sing N N 295 -THR C O doub N N 296 -THR C OXT sing N N 297 -THR CB OG1 sing N N 298 -THR CB CG2 sing N N 299 -THR CB HB sing N N 300 -THR OG1 HG1 sing N N 301 -THR CG2 HG21 sing N N 302 -THR CG2 HG22 sing N N 303 -THR CG2 HG23 sing N N 304 -THR OXT HXT sing N N 305 -TRP N CA sing N N 306 -TRP N H sing N N 307 -TRP N H2 sing N N 308 -TRP CA C sing N N 309 -TRP CA CB sing N N 310 -TRP CA HA sing N N 311 -TRP C O doub N N 312 -TRP C OXT sing N N 313 -TRP CB CG sing N N 314 -TRP CB HB2 sing N N 315 -TRP CB HB3 sing N N 316 -TRP CG CD1 doub Y N 317 -TRP CG CD2 sing Y N 318 -TRP CD1 NE1 sing Y N 319 -TRP CD1 HD1 sing N N 320 -TRP CD2 CE2 doub Y N 321 -TRP CD2 CE3 sing Y N 322 -TRP NE1 CE2 sing Y N 323 -TRP NE1 HE1 sing N N 324 -TRP CE2 CZ2 sing Y N 325 -TRP CE3 CZ3 doub Y N 326 -TRP CE3 HE3 sing N N 327 -TRP CZ2 CH2 doub Y N 328 -TRP CZ2 HZ2 sing N N 329 -TRP CZ3 CH2 sing Y N 330 -TRP CZ3 HZ3 sing N N 331 -TRP CH2 HH2 sing N N 332 -TRP OXT HXT sing N N 333 -TYR N CA sing N N 334 -TYR N H sing N N 335 -TYR N H2 sing N N 336 -TYR CA C sing N N 337 -TYR CA CB sing N N 338 -TYR CA HA sing N N 339 -TYR C O doub N N 340 -TYR C OXT sing N N 341 -TYR CB CG sing N N 342 -TYR CB HB2 sing N N 343 -TYR CB HB3 sing N N 344 -TYR CG CD1 doub Y N 345 -TYR CG CD2 sing Y N 346 -TYR CD1 CE1 sing Y N 347 -TYR CD1 HD1 sing N N 348 -TYR CD2 CE2 doub Y N 349 -TYR CD2 HD2 sing N N 350 -TYR CE1 CZ doub Y N 351 -TYR CE1 HE1 sing N N 352 -TYR CE2 CZ sing Y N 353 -TYR CE2 HE2 sing N N 354 -TYR CZ OH sing N N 355 -TYR OH HH sing N N 356 -TYR OXT HXT sing N N 357 -VAL N CA sing N N 358 -VAL N H sing N N 359 -VAL N H2 sing N N 360 -VAL CA C sing N N 361 -VAL CA CB sing N N 362 -VAL CA HA sing N N 363 -VAL C O doub N N 364 -VAL C OXT sing N N 365 -VAL CB CG1 sing N N 366 -VAL CB CG2 sing N N 367 -VAL CB HB sing N N 368 -VAL CG1 HG11 sing N N 369 -VAL CG1 HG12 sing N N 370 -VAL CG1 HG13 sing N N 371 -VAL CG2 HG21 sing N N 372 -VAL CG2 HG22 sing N N 373 -VAL CG2 HG23 sing N N 374 -VAL OXT HXT sing N N 375 -# -_atom_sites.entry_id 1KTN -_atom_sites.fract_transf_matrix[1][1] 0.015983 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.005808 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.018671 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.013077 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -C -N -O -S -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A 1 1 ? 18.268 21.675 -4.704 1.00 24.35 ? 1 MET A N 1 -ATOM 2 C CA . MET A 1 1 ? 17.473 20.620 -5.398 1.00 24.18 ? 1 MET A CA 1 -ATOM 3 C C . MET A 1 1 ? 18.135 19.255 -5.230 1.00 23.74 ? 1 MET A C 1 -ATOM 4 O O . MET A 1 1 ? 18.921 19.044 -4.309 1.00 23.70 ? 1 MET A O 1 -ATOM 5 C CB . MET A 1 1 ? 17.352 20.941 -6.890 1.00 24.80 ? 1 MET A CB 1 -ATOM 6 C CG . MET A 1 1 ? 18.682 20.945 -7.635 1.00 25.50 ? 1 MET A CG 1 -ATOM 7 S SD . MET A 1 1 ? 18.473 20.979 -9.426 1.00 26.82 ? 1 MET A SD 1 -ATOM 8 C CE . MET A 1 1 ? 18.396 22.741 -9.733 1.00 26.45 ? 1 MET A CE 1 -ATOM 9 N N . THR A 1 2 ? 17.813 18.334 -6.132 1.00 23.16 ? 2 THR A N 1 -ATOM 10 C CA . THR A 1 2 ? 18.379 16.992 -6.089 1.00 22.44 ? 2 THR A CA 1 -ATOM 11 C C . THR A 1 2 ? 19.884 17.048 -6.328 1.00 21.79 ? 2 THR A C 1 -ATOM 12 O O . THR A 1 2 ? 20.665 16.531 -5.529 1.00 21.79 ? 2 THR A O 1 -ATOM 13 C CB . THR A 1 2 ? 17.744 16.089 -7.160 1.00 22.58 ? 2 THR A CB 1 -ATOM 14 O OG1 . THR A 1 2 ? 16.317 16.140 -7.042 1.00 22.80 ? 2 THR A OG1 1 -ATOM 15 C CG2 . THR A 1 2 ? 18.211 14.651 -6.987 1.00 22.60 ? 2 THR A CG2 1 -ATOM 16 N N . ASP A 1 3 ? 20.288 17.675 -7.430 1.00 20.98 ? 3 ASP A N 1 -ATOM 17 C CA . ASP A 1 3 ? 21.705 17.790 -7.755 1.00 20.03 ? 3 ASP A CA 1 -ATOM 18 C C . ASP A 1 3 ? 22.448 18.509 -6.635 1.00 19.09 ? 3 ASP A C 1 -ATOM 19 O O . ASP A 1 3 ? 23.529 18.087 -6.226 1.00 18.92 ? 3 ASP A O 1 -ATOM 20 C CB . ASP A 1 3 ? 21.905 18.554 -9.067 1.00 20.57 ? 3 ASP A CB 1 -ATOM 21 C CG . ASP A 1 3 ? 21.375 17.798 -10.274 1.00 20.94 ? 3 ASP A CG 1 -ATOM 22 O OD1 . ASP A 1 3 ? 21.707 16.603 -10.427 1.00 21.21 ? 3 ASP A OD1 1 -ATOM 23 O OD2 . ASP A 1 3 ? 20.636 18.405 -11.080 1.00 21.46 ? 3 ASP A OD2 1 -ATOM 24 N N . LEU A 1 4 ? 21.860 19.595 -6.142 1.00 18.00 ? 4 LEU A N 1 -ATOM 25 C CA . LEU A 1 4 ? 22.475 20.373 -5.072 1.00 16.80 ? 4 LEU A CA 1 -ATOM 26 C C . LEU A 1 4 ? 22.657 19.542 -3.808 1.00 16.10 ? 4 LEU A C 1 -ATOM 27 O O . LEU A 1 4 ? 23.699 19.622 -3.156 1.00 15.76 ? 4 LEU A O 1 -ATOM 28 C CB . LEU A 1 4 ? 21.632 21.614 -4.760 1.00 16.72 ? 4 LEU A CB 1 -ATOM 29 C CG . LEU A 1 4 ? 22.188 22.554 -3.687 1.00 16.58 ? 4 LEU A CG 1 -ATOM 30 C CD1 . LEU A 1 4 ? 23.618 22.958 -4.032 1.00 16.41 ? 4 LEU A CD1 1 -ATOM 31 C CD2 . LEU A 1 4 ? 21.296 23.781 -3.581 1.00 16.72 ? 4 LEU A CD2 1 -ATOM 32 N N . LYS A 1 5 ? 21.646 18.753 -3.452 1.00 15.26 ? 5 LYS A N 1 -ATOM 33 C CA . LYS A 1 5 ? 21.738 17.911 -2.264 1.00 14.53 ? 5 LYS A CA 1 -ATOM 34 C C . LYS A 1 5 ? 22.850 16.884 -2.432 1.00 13.75 ? 5 LYS A C 1 -ATOM 35 O O . LYS A 1 5 ? 23.616 16.636 -1.506 1.00 13.41 ? 5 LYS A O 1 -ATOM 36 C CB . LYS A 1 5 ? 20.416 17.185 -1.999 1.00 15.00 ? 5 LYS A CB 1 -ATOM 37 C CG . LYS A 1 5 ? 19.336 18.052 -1.373 1.00 15.64 ? 5 LYS A CG 1 -ATOM 38 C CD . LYS A 1 5 ? 18.171 17.196 -0.893 1.00 16.20 ? 5 LYS A CD 1 -ATOM 39 C CE . LYS A 1 5 ? 17.178 18.011 -0.084 1.00 16.53 ? 5 LYS A CE 1 -ATOM 40 N NZ . LYS A 1 5 ? 16.090 17.164 0.479 1.00 17.09 ? 5 LYS A NZ 1 -ATOM 41 N N . ALA A 1 6 ? 22.931 16.290 -3.618 1.00 13.02 ? 6 ALA A N 1 -ATOM 42 C CA . ALA A 1 6 ? 23.954 15.290 -3.899 1.00 12.52 ? 6 ALA A CA 1 -ATOM 43 C C . ALA A 1 6 ? 25.356 15.883 -3.796 1.00 12.04 ? 6 ALA A C 1 -ATOM 44 O O . ALA A 1 6 ? 26.250 15.277 -3.204 1.00 11.96 ? 6 ALA A O 1 -ATOM 45 C CB . ALA A 1 6 ? 23.738 14.698 -5.286 1.00 12.58 ? 6 ALA A CB 1 -ATOM 46 N N . SER A 1 7 ? 25.555 17.066 -4.372 1.00 11.47 ? 7 SER A N 1 -ATOM 47 C CA . SER A 1 7 ? 26.863 17.711 -4.324 1.00 10.97 ? 7 SER A CA 1 -ATOM 48 C C . SER A 1 7 ? 27.209 18.125 -2.899 1.00 10.46 ? 7 SER A C 1 -ATOM 49 O O . SER A 1 7 ? 28.374 18.105 -2.508 1.00 10.09 ? 7 SER A O 1 -ATOM 50 C CB . SER A 1 7 ? 26.903 18.938 -5.246 1.00 11.25 ? 7 SER A CB 1 -ATOM 51 O OG . SER A 1 7 ? 26.014 19.954 -4.817 1.00 12.06 ? 7 SER A OG 1 -ATOM 52 N N . SER A 1 8 ? 26.196 18.486 -2.119 1.00 9.84 ? 8 SER A N 1 -ATOM 53 C CA . SER A 1 8 ? 26.418 18.904 -0.740 1.00 9.42 ? 8 SER A CA 1 -ATOM 54 C C . SER A 1 8 ? 26.921 17.763 0.137 1.00 9.14 ? 8 SER A C 1 -ATOM 55 O O . SER A 1 8 ? 27.819 17.957 0.954 1.00 8.86 ? 8 SER A O 1 -ATOM 56 C CB . SER A 1 8 ? 25.134 19.490 -0.151 1.00 9.51 ? 8 SER A CB 1 -ATOM 57 O OG . SER A 1 8 ? 24.778 20.678 -0.840 1.00 9.67 ? 8 SER A OG 1 -ATOM 58 N N . LEU A 1 9 ? 26.350 16.573 -0.018 1.00 8.83 ? 9 LEU A N 1 -ATOM 59 C CA . LEU A 1 9 ? 26.808 15.447 0.786 1.00 8.59 ? 9 LEU A CA 1 -ATOM 60 C C . LEU A 1 9 ? 28.223 15.080 0.351 1.00 8.47 ? 9 LEU A C 1 -ATOM 61 O O . LEU A 1 9 ? 29.078 14.748 1.174 1.00 8.31 ? 9 LEU A O 1 -ATOM 62 C CB . LEU A 1 9 ? 25.885 14.237 0.612 1.00 8.66 ? 9 LEU A CB 1 -ATOM 63 C CG . LEU A 1 9 ? 26.264 13.005 1.444 1.00 8.48 ? 9 LEU A CG 1 -ATOM 64 C CD1 . LEU A 1 9 ? 26.225 13.334 2.935 1.00 8.56 ? 9 LEU A CD1 1 -ATOM 65 C CD2 . LEU A 1 9 ? 25.301 11.867 1.128 1.00 8.78 ? 9 LEU A CD2 1 -ATOM 66 N N . ARG A 1 10 ? 28.467 15.151 -0.951 1.00 8.28 ? 10 ARG A N 1 -ATOM 67 C CA . ARG A 1 10 ? 29.777 14.830 -1.495 1.00 8.22 ? 10 ARG A CA 1 -ATOM 68 C C . ARG A 1 10 ? 30.827 15.796 -0.950 1.00 7.80 ? 10 ARG A C 1 -ATOM 69 O O . ARG A 1 10 ? 31.911 15.382 -0.534 1.00 7.64 ? 10 ARG A O 1 -ATOM 70 C CB . ARG A 1 10 ? 29.737 14.913 -3.020 1.00 8.99 ? 10 ARG A CB 1 -ATOM 71 C CG . ARG A 1 10 ? 30.988 14.396 -3.695 1.00 9.92 ? 10 ARG A CG 1 -ATOM 72 C CD . ARG A 1 10 ? 30.940 14.625 -5.192 1.00 11.09 ? 10 ARG A CD 1 -ATOM 73 N NE . ARG A 1 10 ? 32.096 14.032 -5.851 1.00 12.26 ? 10 ARG A NE 1 -ATOM 74 C CZ . ARG A 1 10 ? 32.449 14.281 -7.107 1.00 12.83 ? 10 ARG A CZ 1 -ATOM 75 N NH1 . ARG A 1 10 ? 31.733 15.117 -7.844 1.00 13.25 ? 10 ARG A NH1 1 -ATOM 76 N NH2 . ARG A 1 10 ? 33.518 13.690 -7.623 1.00 13.48 ? 10 ARG A NH2 1 -ATOM 77 N N . ALA A 1 11 ? 30.496 17.084 -0.950 1.00 7.39 ? 11 ALA A N 1 -ATOM 78 C CA . ALA A 1 11 ? 31.402 18.113 -0.452 1.00 7.07 ? 11 ALA A CA 1 -ATOM 79 C C . ALA A 1 11 ? 31.665 17.944 1.043 1.00 6.84 ? 11 ALA A C 1 -ATOM 80 O O . ALA A 1 11 ? 32.788 18.145 1.510 1.00 6.86 ? 11 ALA A O 1 -ATOM 81 C CB . ALA A 1 11 ? 30.823 19.497 -0.728 1.00 7.06 ? 11 ALA A CB 1 -ATOM 82 N N . LEU A 1 12 ? 30.628 17.577 1.791 1.00 6.69 ? 12 LEU A N 1 -ATOM 83 C CA . LEU A 1 12 ? 30.751 17.375 3.230 1.00 6.47 ? 12 LEU A CA 1 -ATOM 84 C C . LEU A 1 12 ? 31.800 16.303 3.515 1.00 6.37 ? 12 LEU A C 1 -ATOM 85 O O . LEU A 1 12 ? 32.662 16.470 4.379 1.00 6.18 ? 12 LEU A O 1 -ATOM 86 C CB . LEU A 1 12 ? 29.390 16.962 3.815 1.00 6.61 ? 12 LEU A CB 1 -ATOM 87 C CG . LEU A 1 12 ? 29.277 16.690 5.322 1.00 6.67 ? 12 LEU A CG 1 -ATOM 88 C CD1 . LEU A 1 12 ? 27.830 16.857 5.765 1.00 6.78 ? 12 LEU A CD1 1 -ATOM 89 C CD2 . LEU A 1 12 ? 29.778 15.289 5.648 1.00 6.67 ? 12 LEU A CD2 1 -ATOM 90 N N . LYS A 1 13 ? 31.730 15.208 2.768 1.00 6.41 ? 13 LYS A N 1 -ATOM 91 C CA . LYS A 1 13 ? 32.658 14.102 2.949 1.00 6.68 ? 13 LYS A CA 1 -ATOM 92 C C . LYS A 1 13 ? 34.074 14.385 2.443 1.00 6.51 ? 13 LYS A C 1 -ATOM 93 O O . LYS A 1 13 ? 34.990 13.594 2.674 1.00 6.72 ? 13 LYS A O 1 -ATOM 94 C CB . LYS A 1 13 ? 32.088 12.844 2.289 1.00 7.27 ? 13 LYS A CB 1 -ATOM 95 C CG . LYS A 1 13 ? 30.814 12.354 2.974 1.00 7.91 ? 13 LYS A CG 1 -ATOM 96 C CD . LYS A 1 13 ? 30.278 11.076 2.356 1.00 8.87 ? 13 LYS A CD 1 -ATOM 97 C CE . LYS A 1 13 ? 29.075 10.570 3.139 1.00 9.25 ? 13 LYS A CE 1 -ATOM 98 N NZ . LYS A 1 13 ? 28.581 9.275 2.599 1.00 10.01 ? 13 LYS A NZ 1 -ATOM 99 N N . LEU A 1 14 ? 34.250 15.518 1.768 1.00 6.44 ? 14 LEU A N 1 -ATOM 100 C CA . LEU A 1 14 ? 35.555 15.921 1.247 1.00 6.14 ? 14 LEU A CA 1 -ATOM 101 C C . LEU A 1 14 ? 36.091 17.123 2.022 1.00 6.26 ? 14 LEU A C 1 -ATOM 102 O O . LEU A 1 14 ? 37.135 17.674 1.682 1.00 5.91 ? 14 LEU A O 1 -ATOM 103 C CB . LEU A 1 14 ? 35.448 16.296 -0.235 1.00 6.29 ? 14 LEU A CB 1 -ATOM 104 C CG . LEU A 1 14 ? 35.114 15.189 -1.234 1.00 6.46 ? 14 LEU A CG 1 -ATOM 105 C CD1 . LEU A 1 14 ? 34.897 15.801 -2.611 1.00 6.78 ? 14 LEU A CD1 1 -ATOM 106 C CD2 . LEU A 1 14 ? 36.236 14.163 -1.261 1.00 6.53 ? 14 LEU A CD2 1 -ATOM 107 N N . MET A 1 15 ? 35.383 17.528 3.067 1.00 6.13 ? 15 MET A N 1 -ATOM 108 C CA . MET A 1 15 ? 35.803 18.686 3.843 1.00 6.53 ? 15 MET A CA 1 -ATOM 109 C C . MET A 1 15 ? 36.959 18.486 4.812 1.00 6.29 ? 15 MET A C 1 -ATOM 110 O O . MET A 1 15 ? 37.052 17.465 5.494 1.00 6.15 ? 15 MET A O 1 -ATOM 111 C CB . MET A 1 15 ? 34.628 19.247 4.659 1.00 7.57 ? 15 MET A CB 1 -ATOM 112 C CG . MET A 1 15 ? 33.729 20.241 3.937 1.00 8.83 ? 15 MET A CG 1 -ATOM 113 S SD . MET A 1 15 ? 32.572 21.057 5.073 1.00 10.70 ? 15 MET A SD 1 -ATOM 114 C CE . MET A 1 15 ? 33.699 21.833 6.165 1.00 9.41 ? 15 MET A CE 1 -ATOM 115 N N . ASP A 1 16 ? 37.852 19.470 4.833 1.00 5.94 ? 16 ASP A N 1 -ATOM 116 C CA . ASP A 1 16 ? 38.936 19.516 5.806 1.00 5.71 ? 16 ASP A CA 1 -ATOM 117 C C . ASP A 1 16 ? 38.303 20.576 6.715 1.00 5.53 ? 16 ASP A C 1 -ATOM 118 O O . ASP A 1 16 ? 38.476 21.774 6.484 1.00 5.78 ? 16 ASP A O 1 -ATOM 119 C CB . ASP A 1 16 ? 40.233 20.065 5.195 1.00 5.94 ? 16 ASP A CB 1 -ATOM 120 C CG . ASP A 1 16 ? 41.118 18.979 4.596 1.00 5.88 ? 16 ASP A CG 1 -ATOM 121 O OD1 . ASP A 1 16 ? 40.659 17.825 4.469 1.00 6.14 ? 16 ASP A OD1 1 -ATOM 122 O OD2 . ASP A 1 16 ? 42.282 19.286 4.247 1.00 5.94 ? 16 ASP A OD2 1 -ATOM 123 N N . LEU A 1 17 ? 37.525 20.137 7.705 1.00 5.47 ? 17 LEU A N 1 -ATOM 124 C CA . LEU A 1 17 ? 36.846 21.059 8.620 1.00 5.63 ? 17 LEU A CA 1 -ATOM 125 C C . LEU A 1 17 ? 37.911 21.826 9.387 1.00 5.66 ? 17 LEU A C 1 -ATOM 126 O O . LEU A 1 17 ? 38.674 21.256 10.167 1.00 5.52 ? 17 LEU A O 1 -ATOM 127 C CB . LEU A 1 17 ? 35.924 20.289 9.565 1.00 6.04 ? 17 LEU A CB 1 -ATOM 128 C CG . LEU A 1 17 ? 35.071 21.154 10.498 1.00 6.51 ? 17 LEU A CG 1 -ATOM 129 C CD1 . LEU A 1 17 ? 34.223 22.132 9.697 1.00 7.02 ? 17 LEU A CD1 1 -ATOM 130 C CD2 . LEU A 1 17 ? 34.182 20.257 11.337 1.00 6.67 ? 17 LEU A CD2 1 -ATOM 131 N N . THR A 1 18 ? 37.911 23.137 9.193 1.00 5.90 ? 18 THR A N 1 -ATOM 132 C CA . THR A 1 18 ? 38.947 23.998 9.734 1.00 6.42 ? 18 THR A CA 1 -ATOM 133 C C . THR A 1 18 ? 38.674 25.029 10.820 1.00 6.79 ? 18 THR A C 1 -ATOM 134 O O . THR A 1 18 ? 37.605 25.628 10.886 1.00 7.10 ? 18 THR A O 1 -ATOM 135 C CB . THR A 1 18 ? 39.578 24.773 8.555 1.00 6.29 ? 18 THR A CB 1 -ATOM 136 O OG1 . THR A 1 18 ? 39.928 23.853 7.517 1.00 6.48 ? 18 THR A OG1 1 -ATOM 137 C CG2 . THR A 1 18 ? 40.812 25.544 8.991 1.00 6.67 ? 18 THR A CG2 1 -ATOM 138 N N . THR A 1 19 ? 39.683 25.220 11.664 1.00 7.28 ? 19 THR A N 1 -ATOM 139 C CA . THR A 1 19 ? 39.678 26.262 12.678 1.00 7.75 ? 19 THR A CA 1 -ATOM 140 C C . THR A 1 19 ? 41.148 26.630 12.840 1.00 7.81 ? 19 THR A C 1 -ATOM 141 O O . THR A 1 19 ? 41.978 25.805 13.232 1.00 7.62 ? 19 THR A O 1 -ATOM 142 C CB . THR A 1 19 ? 39.049 25.841 14.039 1.00 7.86 ? 19 THR A CB 1 -ATOM 143 O OG1 . THR A 1 19 ? 38.889 27.019 14.847 1.00 9.24 ? 19 THR A OG1 1 -ATOM 144 C CG2 . THR A 1 19 ? 39.917 24.835 14.786 1.00 8.70 ? 19 THR A CG2 1 -ATOM 145 N N . LEU A 1 20 ? 41.467 27.862 12.458 1.00 8.46 ? 20 LEU A N 1 -ATOM 146 C CA . LEU A 1 20 ? 42.824 28.388 12.535 1.00 9.21 ? 20 LEU A CA 1 -ATOM 147 C C . LEU A 1 20 ? 42.715 29.835 12.991 1.00 10.33 ? 20 LEU A C 1 -ATOM 148 O O . LEU A 1 20 ? 43.042 30.759 12.250 1.00 10.89 ? 20 LEU A O 1 -ATOM 149 C CB . LEU A 1 20 ? 43.496 28.318 11.158 1.00 8.87 ? 20 LEU A CB 1 -ATOM 150 C CG . LEU A 1 20 ? 43.723 26.917 10.577 1.00 8.44 ? 20 LEU A CG 1 -ATOM 151 C CD1 . LEU A 1 20 ? 44.128 27.018 9.114 1.00 8.43 ? 20 LEU A CD1 1 -ATOM 152 C CD2 . LEU A 1 20 ? 44.797 26.197 11.381 1.00 8.35 ? 20 LEU A CD2 1 -ATOM 153 N N . ASN A 1 21 ? 42.257 30.020 14.222 1.00 11.31 ? 21 ASN A N 1 -ATOM 154 C CA . ASN A 1 21 ? 42.068 31.351 14.775 1.00 12.50 ? 21 ASN A CA 1 -ATOM 155 C C . ASN A 1 21 ? 43.061 31.638 15.886 1.00 13.11 ? 21 ASN A C 1 -ATOM 156 O O . ASN A 1 21 ? 43.581 30.723 16.525 1.00 13.04 ? 21 ASN A O 1 -ATOM 157 C CB . ASN A 1 21 ? 40.646 31.478 15.316 1.00 12.99 ? 21 ASN A CB 1 -ATOM 158 C CG . ASN A 1 21 ? 39.602 31.082 14.296 1.00 13.46 ? 21 ASN A CG 1 -ATOM 159 O OD1 . ASN A 1 21 ? 38.670 30.338 14.601 1.00 14.25 ? 21 ASN A OD1 1 -ATOM 160 N ND2 . ASN A 1 21 ? 39.750 31.579 13.075 1.00 13.74 ? 21 ASN A ND2 1 -ATOM 161 N N . ASP A 1 22 ? 43.309 32.920 16.122 1.00 13.99 ? 22 ASP A N 1 -ATOM 162 C CA . ASP A 1 22 ? 44.244 33.327 17.156 1.00 14.89 ? 22 ASP A CA 1 -ATOM 163 C C . ASP A 1 22 ? 43.703 33.013 18.546 1.00 14.97 ? 22 ASP A C 1 -ATOM 164 O O . ASP A 1 22 ? 44.467 32.929 19.506 1.00 15.38 ? 22 ASP A O 1 -ATOM 165 C CB . ASP A 1 22 ? 44.539 34.823 17.042 1.00 15.80 ? 22 ASP A CB 1 -ATOM 166 C CG . ASP A 1 22 ? 45.106 35.201 15.691 1.00 16.67 ? 22 ASP A CG 1 -ATOM 167 O OD1 . ASP A 1 22 ? 46.038 34.511 15.225 1.00 17.35 ? 22 ASP A OD1 1 -ATOM 168 O OD2 . ASP A 1 22 ? 44.625 36.188 15.097 1.00 17.60 ? 22 ASP A OD2 1 -ATOM 169 N N . ASP A 1 23 ? 42.390 32.830 18.649 1.00 14.96 ? 23 ASP A N 1 -ATOM 170 C CA . ASP A 1 23 ? 41.770 32.538 19.937 1.00 14.92 ? 23 ASP A CA 1 -ATOM 171 C C . ASP A 1 23 ? 41.379 31.071 20.091 1.00 14.53 ? 23 ASP A C 1 -ATOM 172 O O . ASP A 1 23 ? 40.539 30.727 20.920 1.00 14.36 ? 23 ASP A O 1 -ATOM 173 C CB . ASP A 1 23 ? 40.546 33.442 20.147 1.00 15.81 ? 23 ASP A CB 1 -ATOM 174 C CG . ASP A 1 23 ? 39.391 33.094 19.229 1.00 16.44 ? 23 ASP A CG 1 -ATOM 175 O OD1 . ASP A 1 23 ? 39.642 32.628 18.098 1.00 17.10 ? 23 ASP A OD1 1 -ATOM 176 O OD2 . ASP A 1 23 ? 38.226 33.301 19.634 1.00 17.35 ? 23 ASP A OD2 1 -ATOM 177 N N . ASP A 1 24 ? 41.999 30.203 19.297 1.00 13.84 ? 24 ASP A N 1 -ATOM 178 C CA . ASP A 1 24 ? 41.707 28.778 19.382 1.00 13.52 ? 24 ASP A CA 1 -ATOM 179 C C . ASP A 1 24 ? 42.186 28.186 20.705 1.00 12.93 ? 24 ASP A C 1 -ATOM 180 O O . ASP A 1 24 ? 43.186 28.625 21.277 1.00 12.71 ? 24 ASP A O 1 -ATOM 181 C CB . ASP A 1 24 ? 42.355 28.031 18.214 1.00 13.95 ? 24 ASP A CB 1 -ATOM 182 C CG . ASP A 1 24 ? 41.339 27.563 17.194 1.00 14.69 ? 24 ASP A CG 1 -ATOM 183 O OD1 . ASP A 1 24 ? 40.576 28.409 16.684 1.00 14.75 ? 24 ASP A OD1 1 -ATOM 184 O OD2 . ASP A 1 24 ? 41.303 26.344 16.905 1.00 15.69 ? 24 ASP A OD2 1 -ATOM 185 N N . THR A 1 25 ? 41.461 27.180 21.182 1.00 12.40 ? 25 THR A N 1 -ATOM 186 C CA . THR A 1 25 ? 41.780 26.508 22.438 1.00 12.17 ? 25 THR A CA 1 -ATOM 187 C C . THR A 1 25 ? 41.482 25.026 22.286 1.00 12.00 ? 25 THR A C 1 -ATOM 188 O O . THR A 1 25 ? 40.868 24.614 21.304 1.00 11.61 ? 25 THR A O 1 -ATOM 189 C CB . THR A 1 25 ? 40.910 27.028 23.590 1.00 12.24 ? 25 THR A CB 1 -ATOM 190 O OG1 . THR A 1 25 ? 39.531 26.783 23.283 1.00 12.44 ? 25 THR A OG1 1 -ATOM 191 C CG2 . THR A 1 25 ? 41.131 28.518 23.803 1.00 12.54 ? 25 THR A CG2 1 -ATOM 192 N N . ASP A 1 26 ? 41.905 24.227 23.262 1.00 11.99 ? 26 ASP A N 1 -ATOM 193 C CA . ASP A 1 26 ? 41.649 22.793 23.213 1.00 12.16 ? 26 ASP A CA 1 -ATOM 194 C C . ASP A 1 26 ? 40.141 22.570 23.161 1.00 12.32 ? 26 ASP A C 1 -ATOM 195 O O . ASP A 1 26 ? 39.654 21.709 22.430 1.00 12.05 ? 26 ASP A O 1 -ATOM 196 C CB . ASP A 1 26 ? 42.224 22.086 24.449 1.00 12.39 ? 26 ASP A CB 1 -ATOM 197 C CG . ASP A 1 26 ? 43.742 22.107 24.490 1.00 12.82 ? 26 ASP A CG 1 -ATOM 198 O OD1 . ASP A 1 26 ? 44.376 22.309 23.434 1.00 13.04 ? 26 ASP A OD1 1 -ATOM 199 O OD2 . ASP A 1 26 ? 44.309 21.904 25.586 1.00 13.17 ? 26 ASP A OD2 1 -ATOM 200 N N . GLU A 1 27 ? 39.405 23.361 23.939 1.00 12.39 ? 27 GLU A N 1 -ATOM 201 C CA . GLU A 1 27 ? 37.951 23.256 23.986 1.00 12.67 ? 27 GLU A CA 1 -ATOM 202 C C . GLU A 1 27 ? 37.314 23.492 22.619 1.00 12.11 ? 27 GLU A C 1 -ATOM 203 O O . GLU A 1 27 ? 36.417 22.755 22.205 1.00 11.95 ? 27 GLU A O 1 -ATOM 204 C CB . GLU A 1 27 ? 37.383 24.260 24.996 1.00 13.74 ? 27 GLU A CB 1 -ATOM 205 C CG . GLU A 1 27 ? 35.865 24.371 24.975 1.00 15.61 ? 27 GLU A CG 1 -ATOM 206 C CD . GLU A 1 27 ? 35.331 25.371 25.987 1.00 16.55 ? 27 GLU A CD 1 -ATOM 207 O OE1 . GLU A 1 27 ? 35.743 26.551 25.940 1.00 17.47 ? 27 GLU A OE1 1 -ATOM 208 O OE2 . GLU A 1 27 ? 34.495 24.975 26.828 1.00 17.63 ? 27 GLU A OE2 1 -ATOM 209 N N . LYS A 1 28 ? 37.774 24.524 21.920 1.00 11.64 ? 28 LYS A N 1 -ATOM 210 C CA . LYS A 1 28 ? 37.228 24.839 20.606 1.00 11.35 ? 28 LYS A CA 1 -ATOM 211 C C . LYS A 1 28 ? 37.568 23.761 19.587 1.00 10.66 ? 28 LYS A C 1 -ATOM 212 O O . LYS A 1 28 ? 36.783 23.488 18.681 1.00 10.64 ? 28 LYS A O 1 -ATOM 213 C CB . LYS A 1 28 ? 37.737 26.199 20.132 1.00 11.98 ? 28 LYS A CB 1 -ATOM 214 C CG . LYS A 1 28 ? 37.184 27.350 20.956 1.00 12.99 ? 28 LYS A CG 1 -ATOM 215 C CD . LYS A 1 28 ? 37.761 28.689 20.538 1.00 13.69 ? 28 LYS A CD 1 -ATOM 216 C CE . LYS A 1 28 ? 37.241 29.789 21.447 1.00 14.39 ? 28 LYS A CE 1 -ATOM 217 N NZ . LYS A 1 28 ? 37.818 31.117 21.121 1.00 15.20 ? 28 LYS A NZ 1 -ATOM 218 N N . VAL A 1 29 ? 38.735 23.145 19.733 1.00 10.07 ? 29 VAL A N 1 -ATOM 219 C CA . VAL A 1 29 ? 39.128 22.090 18.812 1.00 9.57 ? 29 VAL A CA 1 -ATOM 220 C C . VAL A 1 29 ? 38.304 20.836 19.093 1.00 9.50 ? 29 VAL A C 1 -ATOM 221 O O . VAL A 1 29 ? 37.926 20.118 18.172 1.00 9.18 ? 29 VAL A O 1 -ATOM 222 C CB . VAL A 1 29 ? 40.636 21.785 18.927 1.00 9.45 ? 29 VAL A CB 1 -ATOM 223 C CG1 . VAL A 1 29 ? 40.978 20.523 18.152 1.00 9.45 ? 29 VAL A CG1 1 -ATOM 224 C CG2 . VAL A 1 29 ? 41.434 22.964 18.387 1.00 9.49 ? 29 VAL A CG2 1 -ATOM 225 N N . ILE A 1 30 ? 38.019 20.580 20.368 1.00 9.40 ? 30 ILE A N 1 -ATOM 226 C CA . ILE A 1 30 ? 37.215 19.421 20.738 1.00 9.44 ? 30 ILE A CA 1 -ATOM 227 C C . ILE A 1 30 ? 35.822 19.590 20.132 1.00 9.38 ? 30 ILE A C 1 -ATOM 228 O O . ILE A 1 30 ? 35.227 18.634 19.631 1.00 9.38 ? 30 ILE A O 1 -ATOM 229 C CB . ILE A 1 30 ? 37.124 19.288 22.276 1.00 9.59 ? 30 ILE A CB 1 -ATOM 230 C CG1 . ILE A 1 30 ? 38.500 18.905 22.826 1.00 9.92 ? 30 ILE A CG1 1 -ATOM 231 C CG2 . ILE A 1 30 ? 36.069 18.256 22.663 1.00 9.99 ? 30 ILE A CG2 1 -ATOM 232 C CD1 . ILE A 1 30 ? 38.601 18.932 24.337 1.00 10.03 ? 30 ILE A CD1 1 -ATOM 233 N N . ALA A 1 31 ? 35.315 20.818 20.168 1.00 9.33 ? 31 ALA A N 1 -ATOM 234 C CA . ALA A 1 31 ? 34.005 21.118 19.601 1.00 9.24 ? 31 ALA A CA 1 -ATOM 235 C C . ALA A 1 31 ? 34.043 20.895 18.091 1.00 9.24 ? 31 ALA A C 1 -ATOM 236 O O . ALA A 1 31 ? 33.080 20.409 17.503 1.00 9.41 ? 31 ALA A O 1 -ATOM 237 C CB . ALA A 1 31 ? 33.615 22.558 19.906 1.00 9.31 ? 31 ALA A CB 1 -ATOM 238 N N . LEU A 1 32 ? 35.163 21.248 17.466 1.00 9.01 ? 32 LEU A N 1 -ATOM 239 C CA . LEU A 1 32 ? 35.309 21.074 16.026 1.00 9.04 ? 32 LEU A CA 1 -ATOM 240 C C . LEU A 1 32 ? 35.243 19.588 15.679 1.00 9.03 ? 32 LEU A C 1 -ATOM 241 O O . LEU A 1 32 ? 34.602 19.195 14.702 1.00 8.83 ? 32 LEU A O 1 -ATOM 242 C CB . LEU A 1 32 ? 36.644 21.653 15.552 1.00 9.36 ? 32 LEU A CB 1 -ATOM 243 C CG . LEU A 1 32 ? 36.791 21.751 14.031 1.00 9.68 ? 32 LEU A CG 1 -ATOM 244 C CD1 . LEU A 1 32 ? 35.905 22.876 13.512 1.00 10.32 ? 32 LEU A CD1 1 -ATOM 245 C CD2 . LEU A 1 32 ? 38.242 22.010 13.661 1.00 9.85 ? 32 LEU A CD2 1 -ATOM 246 N N . CYS A 1 33 ? 35.913 18.768 16.482 1.00 8.89 ? 33 CYS A N 1 -ATOM 247 C CA . CYS A 1 33 ? 35.915 17.328 16.259 1.00 9.05 ? 33 CYS A CA 1 -ATOM 248 C C . CYS A 1 33 ? 34.495 16.782 16.331 1.00 9.16 ? 33 CYS A C 1 -ATOM 249 O O . CYS A 1 33 ? 34.122 15.902 15.556 1.00 8.82 ? 33 CYS A O 1 -ATOM 250 C CB . CYS A 1 33 ? 36.794 16.623 17.297 1.00 9.15 ? 33 CYS A CB 1 -ATOM 251 S SG . CYS A 1 33 ? 38.565 16.936 17.109 1.00 9.69 ? 33 CYS A SG 1 -ATOM 252 N N . HIS A 1 34 ? 33.706 17.300 17.268 1.00 9.64 ? 34 HIS A N 1 -ATOM 253 C CA . HIS A 1 34 ? 32.326 16.853 17.417 1.00 10.27 ? 34 HIS A CA 1 -ATOM 254 C C . HIS A 1 34 ? 31.509 17.261 16.193 1.00 10.31 ? 34 HIS A C 1 -ATOM 255 O O . HIS A 1 34 ? 30.656 16.509 15.727 1.00 10.23 ? 34 HIS A O 1 -ATOM 256 C CB . HIS A 1 34 ? 31.711 17.454 18.685 1.00 11.02 ? 34 HIS A CB 1 -ATOM 257 C CG . HIS A 1 34 ? 32.350 16.974 19.952 1.00 12.13 ? 34 HIS A CG 1 -ATOM 258 N ND1 . HIS A 1 34 ? 32.121 17.570 21.173 1.00 12.79 ? 34 HIS A ND1 1 -ATOM 259 C CD2 . HIS A 1 34 ? 33.210 15.954 20.187 1.00 12.38 ? 34 HIS A CD2 1 -ATOM 260 C CE1 . HIS A 1 34 ? 32.811 16.939 22.106 1.00 12.76 ? 34 HIS A CE1 1 -ATOM 261 N NE2 . HIS A 1 34 ? 33.480 15.954 21.535 1.00 12.89 ? 34 HIS A NE2 1 -ATOM 262 N N . GLN A 1 35 ? 31.787 18.452 15.673 1.00 10.40 ? 35 GLN A N 1 -ATOM 263 C CA . GLN A 1 35 ? 31.086 18.962 14.501 1.00 10.60 ? 35 GLN A CA 1 -ATOM 264 C C . GLN A 1 35 ? 31.401 18.142 13.245 1.00 10.10 ? 35 GLN A C 1 -ATOM 265 O O . GLN A 1 35 ? 30.554 17.999 12.361 1.00 9.87 ? 35 GLN A O 1 -ATOM 266 C CB . GLN A 1 35 ? 31.453 20.435 14.274 1.00 11.70 ? 35 GLN A CB 1 -ATOM 267 C CG . GLN A 1 35 ? 30.858 21.044 13.014 1.00 13.49 ? 35 GLN A CG 1 -ATOM 268 C CD . GLN A 1 35 ? 31.169 22.526 12.861 1.00 14.27 ? 35 GLN A CD 1 -ATOM 269 O OE1 . GLN A 1 35 ? 32.246 22.992 13.241 1.00 15.40 ? 35 GLN A OE1 1 -ATOM 270 N NE2 . GLN A 1 35 ? 30.231 23.270 12.283 1.00 15.03 ? 35 GLN A NE2 1 -ATOM 271 N N . ALA A 1 36 ? 32.613 17.597 13.175 1.00 9.63 ? 36 ALA A N 1 -ATOM 272 C CA . ALA A 1 36 ? 33.042 16.802 12.027 1.00 9.52 ? 36 ALA A CA 1 -ATOM 273 C C . ALA A 1 36 ? 32.267 15.491 11.883 1.00 9.57 ? 36 ALA A C 1 -ATOM 274 O O . ALA A 1 36 ? 32.256 14.877 10.816 1.00 9.11 ? 36 ALA A O 1 -ATOM 275 C CB . ALA A 1 36 ? 34.534 16.517 12.129 1.00 9.26 ? 36 ALA A CB 1 -ATOM 276 N N . LYS A 1 37 ? 31.634 15.065 12.971 1.00 9.87 ? 37 LYS A N 1 -ATOM 277 C CA . LYS A 1 37 ? 30.837 13.839 12.996 1.00 10.33 ? 37 LYS A CA 1 -ATOM 278 C C . LYS A 1 37 ? 29.381 14.274 12.843 1.00 10.52 ? 37 LYS A C 1 -ATOM 279 O O . LYS A 1 37 ? 28.704 14.557 13.832 1.00 10.50 ? 37 LYS A O 1 -ATOM 280 C CB . LYS A 1 37 ? 31.041 13.124 14.339 1.00 10.67 ? 37 LYS A CB 1 -ATOM 281 C CG . LYS A 1 37 ? 30.360 11.768 14.465 1.00 11.20 ? 37 LYS A CG 1 -ATOM 282 C CD . LYS A 1 37 ? 30.507 11.217 15.879 1.00 12.02 ? 37 LYS A CD 1 -ATOM 283 C CE . LYS A 1 37 ? 29.833 9.858 16.023 1.00 12.59 ? 37 LYS A CE 1 -ATOM 284 N NZ . LYS A 1 37 ? 29.864 9.361 17.429 1.00 13.24 ? 37 LYS A NZ 1 -ATOM 285 N N . THR A 1 38 ? 28.902 14.331 11.603 1.00 10.82 ? 38 THR A N 1 -ATOM 286 C CA . THR A 1 38 ? 27.536 14.774 11.338 1.00 11.33 ? 38 THR A CA 1 -ATOM 287 C C . THR A 1 38 ? 26.544 13.622 11.202 1.00 11.65 ? 38 THR A C 1 -ATOM 288 O O . THR A 1 38 ? 26.933 12.470 11.035 1.00 11.60 ? 38 THR A O 1 -ATOM 289 C CB . THR A 1 38 ? 27.466 15.646 10.056 1.00 11.29 ? 38 THR A CB 1 -ATOM 290 O OG1 . THR A 1 38 ? 27.224 14.816 8.913 1.00 10.85 ? 38 THR A OG1 1 -ATOM 291 C CG2 . THR A 1 38 ? 28.773 16.391 9.852 1.00 11.38 ? 38 THR A CG2 1 -ATOM 292 N N . PRO A 1 39 ? 25.238 13.927 11.269 1.00 12.09 ? 39 PRO A N 1 -ATOM 293 C CA . PRO A 1 39 ? 24.218 12.884 11.149 1.00 12.11 ? 39 PRO A CA 1 -ATOM 294 C C . PRO A 1 39 ? 24.154 12.187 9.788 1.00 11.87 ? 39 PRO A C 1 -ATOM 295 O O . PRO A 1 39 ? 23.562 11.113 9.670 1.00 12.37 ? 39 PRO A O 1 -ATOM 296 C CB . PRO A 1 39 ? 22.925 13.628 11.490 1.00 12.48 ? 39 PRO A CB 1 -ATOM 297 C CG . PRO A 1 39 ? 23.205 15.016 11.016 1.00 12.75 ? 39 PRO A CG 1 -ATOM 298 C CD . PRO A 1 39 ? 24.613 15.239 11.515 1.00 12.50 ? 39 PRO A CD 1 -ATOM 299 N N . VAL A 1 40 ? 24.766 12.781 8.766 1.00 11.28 ? 40 VAL A N 1 -ATOM 300 C CA . VAL A 1 40 ? 24.742 12.182 7.431 1.00 10.69 ? 40 VAL A CA 1 -ATOM 301 C C . VAL A 1 40 ? 26.109 11.702 6.952 1.00 10.22 ? 40 VAL A C 1 -ATOM 302 O O . VAL A 1 40 ? 26.245 11.235 5.821 1.00 10.17 ? 40 VAL A O 1 -ATOM 303 C CB . VAL A 1 40 ? 24.174 13.163 6.379 1.00 10.68 ? 40 VAL A CB 1 -ATOM 304 C CG1 . VAL A 1 40 ? 22.760 13.575 6.763 1.00 10.72 ? 40 VAL A CG1 1 -ATOM 305 C CG2 . VAL A 1 40 ? 25.078 14.375 6.248 1.00 10.78 ? 40 VAL A CG2 1 -ATOM 306 N N . GLY A 1 41 ? 27.117 11.816 7.811 1.00 9.59 ? 41 GLY A N 1 -ATOM 307 C CA . GLY A 1 41 ? 28.451 11.381 7.441 1.00 9.04 ? 41 GLY A CA 1 -ATOM 308 C C . GLY A 1 41 ? 29.535 12.164 8.153 1.00 8.48 ? 41 GLY A C 1 -ATOM 309 O O . GLY A 1 41 ? 29.249 13.126 8.863 1.00 8.67 ? 41 GLY A O 1 -ATOM 310 N N . ASN A 1 42 ? 30.782 11.745 7.966 1.00 8.28 ? 42 ASN A N 1 -ATOM 311 C CA . ASN A 1 42 ? 31.915 12.417 8.594 1.00 7.99 ? 42 ASN A CA 1 -ATOM 312 C C . ASN A 1 42 ? 32.724 13.170 7.555 1.00 7.68 ? 42 ASN A C 1 -ATOM 313 O O . ASN A 1 42 ? 32.816 12.745 6.403 1.00 7.73 ? 42 ASN A O 1 -ATOM 314 C CB . ASN A 1 42 ? 32.830 11.399 9.283 1.00 8.74 ? 42 ASN A CB 1 -ATOM 315 C CG . ASN A 1 42 ? 32.117 10.598 10.349 1.00 8.98 ? 42 ASN A CG 1 -ATOM 316 O OD1 . ASN A 1 42 ? 31.362 11.148 11.148 1.00 9.58 ? 42 ASN A OD1 1 -ATOM 317 N ND2 . ASN A 1 42 ? 32.364 9.294 10.376 1.00 10.30 ? 42 ASN A ND2 1 -ATOM 318 N N . THR A 1 43 ? 33.312 14.291 7.959 1.00 7.17 ? 43 THR A N 1 -ATOM 319 C CA . THR A 1 43 ? 34.145 15.053 7.040 1.00 6.86 ? 43 THR A CA 1 -ATOM 320 C C . THR A 1 43 ? 35.399 14.212 6.784 1.00 6.78 ? 43 THR A C 1 -ATOM 321 O O . THR A 1 43 ? 35.671 13.254 7.513 1.00 7.00 ? 43 THR A O 1 -ATOM 322 C CB . THR A 1 43 ? 34.542 16.431 7.629 1.00 6.71 ? 43 THR A CB 1 -ATOM 323 O OG1 . THR A 1 43 ? 35.263 16.252 8.856 1.00 6.54 ? 43 THR A OG1 1 -ATOM 324 C CG2 . THR A 1 43 ? 33.300 17.270 7.898 1.00 6.76 ? 43 THR A CG2 1 -ATOM 325 N N . ALA A 1 44 ? 36.150 14.550 5.743 1.00 6.62 ? 44 ALA A N 1 -ATOM 326 C CA . ALA A 1 44 ? 37.358 13.803 5.410 1.00 6.36 ? 44 ALA A CA 1 -ATOM 327 C C . ALA A 1 44 ? 38.432 14.007 6.468 1.00 6.17 ? 44 ALA A C 1 -ATOM 328 O O . ALA A 1 44 ? 39.190 13.089 6.794 1.00 5.96 ? 44 ALA A O 1 -ATOM 329 C CB . ALA A 1 44 ? 37.882 14.241 4.050 1.00 6.32 ? 44 ALA A CB 1 -ATOM 330 N N . ALA A 1 45 ? 38.484 15.214 7.014 1.00 6.05 ? 45 ALA A N 1 -ATOM 331 C CA . ALA A 1 45 ? 39.486 15.541 8.012 1.00 6.06 ? 45 ALA A CA 1 -ATOM 332 C C . ALA A 1 45 ? 39.134 16.833 8.715 1.00 6.09 ? 45 ALA A C 1 -ATOM 333 O O . ALA A 1 45 ? 38.091 17.436 8.467 1.00 6.15 ? 45 ALA A O 1 -ATOM 334 C CB . ALA A 1 45 ? 40.847 15.700 7.326 1.00 6.66 ? 45 ALA A CB 1 -ATOM 335 N N . ILE A 1 46 ? 40.015 17.226 9.627 1.00 6.00 ? 46 ILE A N 1 -ATOM 336 C CA . ILE A 1 46 ? 39.902 18.498 10.312 1.00 5.98 ? 46 ILE A CA 1 -ATOM 337 C C . ILE A 1 46 ? 41.258 19.131 10.016 1.00 5.78 ? 46 ILE A C 1 -ATOM 338 O O . ILE A 1 46 ? 42.213 18.422 9.693 1.00 5.94 ? 46 ILE A O 1 -ATOM 339 C CB . ILE A 1 46 ? 39.709 18.367 11.850 1.00 6.40 ? 46 ILE A CB 1 -ATOM 340 C CG1 . ILE A 1 46 ? 40.833 17.538 12.476 1.00 6.92 ? 46 ILE A CG1 1 -ATOM 341 C CG2 . ILE A 1 46 ? 38.341 17.785 12.148 1.00 6.51 ? 46 ILE A CG2 1 -ATOM 342 C CD1 . ILE A 1 46 ? 40.816 17.552 13.999 1.00 7.69 ? 46 ILE A CD1 1 -ATOM 343 N N . CYS A 1 47 ? 41.330 20.456 10.074 1.00 5.49 ? 47 CYS A N 1 -ATOM 344 C CA . CYS A 1 47 ? 42.582 21.164 9.843 1.00 5.51 ? 47 CYS A CA 1 -ATOM 345 C C . CYS A 1 47 ? 42.705 22.139 10.996 1.00 5.21 ? 47 CYS A C 1 -ATOM 346 O O . CYS A 1 47 ? 41.852 23.009 11.182 1.00 5.41 ? 47 CYS A O 1 -ATOM 347 C CB . CYS A 1 47 ? 42.558 21.907 8.507 1.00 5.53 ? 47 CYS A CB 1 -ATOM 348 S SG . CYS A 1 47 ? 44.132 22.689 8.090 1.00 7.04 ? 47 CYS A SG 1 -ATOM 349 N N . ILE A 1 48 ? 43.775 21.982 11.764 1.00 5.06 ? 48 ILE A N 1 -ATOM 350 C CA . ILE A 1 48 ? 43.999 22.791 12.954 1.00 4.93 ? 48 ILE A CA 1 -ATOM 351 C C . ILE A 1 48 ? 45.478 23.119 13.114 1.00 4.85 ? 48 ILE A C 1 -ATOM 352 O O . ILE A 1 48 ? 46.319 22.570 12.407 1.00 4.71 ? 48 ILE A O 1 -ATOM 353 C CB . ILE A 1 48 ? 43.543 22.004 14.200 1.00 5.27 ? 48 ILE A CB 1 -ATOM 354 C CG1 . ILE A 1 48 ? 44.278 20.657 14.249 1.00 5.65 ? 48 ILE A CG1 1 -ATOM 355 C CG2 . ILE A 1 48 ? 42.036 21.782 14.155 1.00 5.59 ? 48 ILE A CG2 1 -ATOM 356 C CD1 . ILE A 1 48 ? 43.898 19.769 15.417 1.00 5.99 ? 48 ILE A CD1 1 -ATOM 357 N N . TYR A 1 49 ? 45.798 24.011 14.046 1.00 4.86 ? 49 TYR A N 1 -ATOM 358 C CA . TYR A 1 49 ? 47.198 24.336 14.286 1.00 4.97 ? 49 TYR A CA 1 -ATOM 359 C C . TYR A 1 49 ? 47.872 23.110 14.910 1.00 5.20 ? 49 TYR A C 1 -ATOM 360 O O . TYR A 1 49 ? 47.241 22.345 15.642 1.00 4.87 ? 49 TYR A O 1 -ATOM 361 C CB . TYR A 1 49 ? 47.324 25.563 15.195 1.00 5.16 ? 49 TYR A CB 1 -ATOM 362 C CG . TYR A 1 49 ? 47.080 26.869 14.465 1.00 5.10 ? 49 TYR A CG 1 -ATOM 363 C CD1 . TYR A 1 49 ? 47.833 27.208 13.340 1.00 5.49 ? 49 TYR A CD1 1 -ATOM 364 C CD2 . TYR A 1 49 ? 46.109 27.771 14.900 1.00 5.44 ? 49 TYR A CD2 1 -ATOM 365 C CE1 . TYR A 1 49 ? 47.629 28.407 12.669 1.00 5.32 ? 49 TYR A CE1 1 -ATOM 366 C CE2 . TYR A 1 49 ? 45.897 28.977 14.232 1.00 5.51 ? 49 TYR A CE2 1 -ATOM 367 C CZ . TYR A 1 49 ? 46.661 29.285 13.119 1.00 5.60 ? 49 TYR A CZ 1 -ATOM 368 O OH . TYR A 1 49 ? 46.463 30.473 12.450 1.00 6.47 ? 49 TYR A OH 1 -ATOM 369 N N . PRO A 1 50 ? 49.168 22.913 14.634 1.00 5.35 ? 50 PRO A N 1 -ATOM 370 C CA . PRO A 1 50 ? 49.938 21.774 15.145 1.00 5.45 ? 50 PRO A CA 1 -ATOM 371 C C . PRO A 1 50 ? 49.783 21.398 16.617 1.00 5.28 ? 50 PRO A C 1 -ATOM 372 O O . PRO A 1 50 ? 49.614 20.221 16.947 1.00 4.82 ? 50 PRO A O 1 -ATOM 373 C CB . PRO A 1 50 ? 51.376 22.151 14.802 1.00 5.75 ? 50 PRO A CB 1 -ATOM 374 C CG . PRO A 1 50 ? 51.229 22.954 13.554 1.00 5.83 ? 50 PRO A CG 1 -ATOM 375 C CD . PRO A 1 50 ? 50.036 23.827 13.867 1.00 5.48 ? 50 PRO A CD 1 -ATOM 376 N N . ARG A 1 51 ? 49.834 22.389 17.499 1.00 5.10 ? 51 ARG A N 1 -ATOM 377 C CA . ARG A 1 51 ? 49.742 22.123 18.928 1.00 5.18 ? 51 ARG A CA 1 -ATOM 378 C C . ARG A 1 51 ? 48.458 21.437 19.387 1.00 5.26 ? 51 ARG A C 1 -ATOM 379 O O . ARG A 1 51 ? 48.423 20.847 20.467 1.00 5.53 ? 51 ARG A O 1 -ATOM 380 C CB . ARG A 1 51 ? 49.944 23.420 19.718 1.00 5.38 ? 51 ARG A CB 1 -ATOM 381 C CG . ARG A 1 51 ? 48.859 24.473 19.531 1.00 5.89 ? 51 ARG A CG 1 -ATOM 382 C CD . ARG A 1 51 ? 49.248 25.736 20.285 1.00 6.57 ? 51 ARG A CD 1 -ATOM 383 N NE . ARG A 1 51 ? 48.268 26.814 20.179 1.00 7.09 ? 51 ARG A NE 1 -ATOM 384 C CZ . ARG A 1 51 ? 48.082 27.572 19.102 1.00 7.36 ? 51 ARG A CZ 1 -ATOM 385 N NH1 . ARG A 1 51 ? 48.806 27.379 18.006 1.00 7.63 ? 51 ARG A NH1 1 -ATOM 386 N NH2 . ARG A 1 51 ? 47.178 28.545 19.131 1.00 8.08 ? 51 ARG A NH2 1 -ATOM 387 N N . PHE A 1 52 ? 47.413 21.492 18.571 1.00 5.23 ? 52 PHE A N 1 -ATOM 388 C CA . PHE A 1 52 ? 46.142 20.876 18.946 1.00 5.38 ? 52 PHE A CA 1 -ATOM 389 C C . PHE A 1 52 ? 45.963 19.450 18.437 1.00 5.40 ? 52 PHE A C 1 -ATOM 390 O O . PHE A 1 52 ? 44.954 18.810 18.728 1.00 5.49 ? 52 PHE A O 1 -ATOM 391 C CB . PHE A 1 52 ? 44.981 21.739 18.445 1.00 5.61 ? 52 PHE A CB 1 -ATOM 392 C CG . PHE A 1 52 ? 44.969 23.128 19.018 1.00 5.71 ? 52 PHE A CG 1 -ATOM 393 C CD1 . PHE A 1 52 ? 44.781 23.331 20.383 1.00 6.12 ? 52 PHE A CD1 1 -ATOM 394 C CD2 . PHE A 1 52 ? 45.166 24.236 18.198 1.00 5.86 ? 52 PHE A CD2 1 -ATOM 395 C CE1 . PHE A 1 52 ? 44.790 24.616 20.925 1.00 5.85 ? 52 PHE A CE1 1 -ATOM 396 C CE2 . PHE A 1 52 ? 45.178 25.523 18.729 1.00 5.91 ? 52 PHE A CE2 1 -ATOM 397 C CZ . PHE A 1 52 ? 44.989 25.713 20.095 1.00 5.99 ? 52 PHE A CZ 1 -ATOM 398 N N . ILE A 1 53 ? 46.943 18.940 17.700 1.00 5.40 ? 53 ILE A N 1 -ATOM 399 C CA . ILE A 1 53 ? 46.835 17.596 17.148 1.00 5.70 ? 53 ILE A CA 1 -ATOM 400 C C . ILE A 1 53 ? 46.662 16.466 18.170 1.00 5.86 ? 53 ILE A C 1 -ATOM 401 O O . ILE A 1 53 ? 45.772 15.637 18.020 1.00 5.98 ? 53 ILE A O 1 -ATOM 402 C CB . ILE A 1 53 ? 48.035 17.285 16.220 1.00 5.46 ? 53 ILE A CB 1 -ATOM 403 C CG1 . ILE A 1 53 ? 47.993 18.208 14.995 1.00 5.61 ? 53 ILE A CG1 1 -ATOM 404 C CG2 . ILE A 1 53 ? 47.987 15.830 15.766 1.00 5.65 ? 53 ILE A CG2 1 -ATOM 405 C CD1 . ILE A 1 53 ? 49.220 18.093 14.102 1.00 5.60 ? 53 ILE A CD1 1 -ATOM 406 N N . PRO A 1 54 ? 47.489 16.420 19.230 1.00 6.09 ? 54 PRO A N 1 -ATOM 407 C CA . PRO A 1 54 ? 47.330 15.336 20.209 1.00 6.54 ? 54 PRO A CA 1 -ATOM 408 C C . PRO A 1 54 ? 45.935 15.219 20.820 1.00 6.79 ? 54 PRO A C 1 -ATOM 409 O O . PRO A 1 54 ? 45.355 14.132 20.848 1.00 7.00 ? 54 PRO A O 1 -ATOM 410 C CB . PRO A 1 54 ? 48.397 15.656 21.251 1.00 6.47 ? 54 PRO A CB 1 -ATOM 411 C CG . PRO A 1 54 ? 49.472 16.310 20.433 1.00 6.31 ? 54 PRO A CG 1 -ATOM 412 C CD . PRO A 1 54 ? 48.668 17.242 19.555 1.00 6.25 ? 54 PRO A CD 1 -ATOM 413 N N . ILE A 1 55 ? 45.388 16.328 21.304 1.00 7.10 ? 55 ILE A N 1 -ATOM 414 C CA . ILE A 1 55 ? 44.062 16.285 21.908 1.00 7.42 ? 55 ILE A CA 1 -ATOM 415 C C . ILE A 1 55 ? 42.983 16.003 20.861 1.00 7.20 ? 55 ILE A C 1 -ATOM 416 O O . ILE A 1 55 ? 41.976 15.359 21.159 1.00 7.32 ? 55 ILE A O 1 -ATOM 417 C CB . ILE A 1 55 ? 43.738 17.599 22.670 1.00 7.84 ? 55 ILE A CB 1 -ATOM 418 C CG1 . ILE A 1 55 ? 42.431 17.433 23.450 1.00 8.38 ? 55 ILE A CG1 1 -ATOM 419 C CG2 . ILE A 1 55 ? 43.653 18.771 21.704 1.00 8.37 ? 55 ILE A CG2 1 -ATOM 420 C CD1 . ILE A 1 55 ? 42.483 16.342 24.501 1.00 9.15 ? 55 ILE A CD1 1 -ATOM 421 N N . ALA A 1 56 ? 43.191 16.477 19.637 1.00 6.97 ? 56 ALA A N 1 -ATOM 422 C CA . ALA A 1 56 ? 42.224 16.232 18.570 1.00 6.84 ? 56 ALA A CA 1 -ATOM 423 C C . ALA A 1 56 ? 42.180 14.736 18.255 1.00 6.89 ? 56 ALA A C 1 -ATOM 424 O O . ALA A 1 56 ? 41.105 14.161 18.073 1.00 6.79 ? 56 ALA A O 1 -ATOM 425 C CB . ALA A 1 56 ? 42.601 17.025 17.312 1.00 6.80 ? 56 ALA A CB 1 -ATOM 426 N N . ARG A 1 57 ? 43.350 14.108 18.192 1.00 6.96 ? 57 ARG A N 1 -ATOM 427 C CA . ARG A 1 57 ? 43.421 12.685 17.900 1.00 7.37 ? 57 ARG A CA 1 -ATOM 428 C C . ARG A 1 57 ? 42.643 11.902 18.951 1.00 7.61 ? 57 ARG A C 1 -ATOM 429 O O . ARG A 1 57 ? 41.864 11.006 18.622 1.00 7.56 ? 57 ARG A O 1 -ATOM 430 C CB . ARG A 1 57 ? 44.875 12.207 17.884 1.00 7.15 ? 57 ARG A CB 1 -ATOM 431 C CG . ARG A 1 57 ? 45.016 10.742 17.491 1.00 7.22 ? 57 ARG A CG 1 -ATOM 432 C CD . ARG A 1 57 ? 44.721 10.533 16.010 1.00 7.11 ? 57 ARG A CD 1 -ATOM 433 N NE . ARG A 1 57 ? 45.853 10.938 15.179 1.00 7.37 ? 57 ARG A NE 1 -ATOM 434 C CZ . ARG A 1 57 ? 45.815 11.054 13.855 1.00 7.33 ? 57 ARG A CZ 1 -ATOM 435 N NH1 . ARG A 1 57 ? 44.693 10.807 13.184 1.00 7.46 ? 57 ARG A NH1 1 -ATOM 436 N NH2 . ARG A 1 57 ? 46.911 11.399 13.196 1.00 7.91 ? 57 ARG A NH2 1 -ATOM 437 N N . LYS A 1 58 ? 42.852 12.250 20.216 1.00 8.27 ? 58 LYS A N 1 -ATOM 438 C CA . LYS A 1 58 ? 42.173 11.582 21.320 1.00 8.90 ? 58 LYS A CA 1 -ATOM 439 C C . LYS A 1 58 ? 40.663 11.774 21.232 1.00 8.79 ? 58 LYS A C 1 -ATOM 440 O O . LYS A 1 58 ? 39.896 10.836 21.444 1.00 8.80 ? 58 LYS A O 1 -ATOM 441 C CB . LYS A 1 58 ? 42.689 12.129 22.653 1.00 9.55 ? 58 LYS A CB 1 -ATOM 442 C CG . LYS A 1 58 ? 42.034 11.519 23.889 1.00 10.94 ? 58 LYS A CG 1 -ATOM 443 C CD . LYS A 1 58 ? 42.559 12.173 25.165 1.00 12.08 ? 58 LYS A CD 1 -ATOM 444 C CE . LYS A 1 58 ? 41.818 11.666 26.393 1.00 13.25 ? 58 LYS A CE 1 -ATOM 445 N NZ . LYS A 1 58 ? 42.294 12.325 27.644 1.00 14.18 ? 58 LYS A NZ 1 -ATOM 446 N N . THR A 1 59 ? 40.241 12.992 20.915 1.00 8.69 ? 59 THR A N 1 -ATOM 447 C CA . THR A 1 59 ? 38.823 13.309 20.810 1.00 8.82 ? 59 THR A CA 1 -ATOM 448 C C . THR A 1 59 ? 38.149 12.540 19.677 1.00 8.87 ? 59 THR A C 1 -ATOM 449 O O . THR A 1 59 ? 37.046 12.018 19.844 1.00 8.94 ? 59 THR A O 1 -ATOM 450 C CB . THR A 1 59 ? 38.623 14.818 20.595 1.00 8.78 ? 59 THR A CB 1 -ATOM 451 O OG1 . THR A 1 59 ? 39.270 15.533 21.654 1.00 8.97 ? 59 THR A OG1 1 -ATOM 452 C CG2 . THR A 1 59 ? 37.144 15.169 20.587 1.00 8.94 ? 59 THR A CG2 1 -ATOM 453 N N . LEU A 1 60 ? 38.808 12.475 18.525 1.00 9.10 ? 60 LEU A N 1 -ATOM 454 C CA . LEU A 1 60 ? 38.258 11.755 17.384 1.00 9.30 ? 60 LEU A CA 1 -ATOM 455 C C . LEU A 1 60 ? 38.153 10.270 17.702 1.00 9.83 ? 60 LEU A C 1 -ATOM 456 O O . LEU A 1 60 ? 37.176 9.612 17.338 1.00 9.83 ? 60 LEU A O 1 -ATOM 457 C CB . LEU A 1 60 ? 39.138 11.970 16.150 1.00 8.73 ? 60 LEU A CB 1 -ATOM 458 C CG . LEU A 1 60 ? 39.127 13.400 15.605 1.00 8.26 ? 60 LEU A CG 1 -ATOM 459 C CD1 . LEU A 1 60 ? 40.174 13.535 14.510 1.00 8.26 ? 60 LEU A CD1 1 -ATOM 460 C CD2 . LEU A 1 60 ? 37.738 13.745 15.079 1.00 8.19 ? 60 LEU A CD2 1 -ATOM 461 N N . LYS A 1 61 ? 39.157 9.744 18.393 1.00 10.42 ? 61 LYS A N 1 -ATOM 462 C CA . LYS A 1 61 ? 39.158 8.334 18.756 1.00 11.21 ? 61 LYS A CA 1 -ATOM 463 C C . LYS A 1 61 ? 38.037 7.984 19.727 1.00 11.54 ? 61 LYS A C 1 -ATOM 464 O O . LYS A 1 61 ? 37.335 6.989 19.537 1.00 11.45 ? 61 LYS A O 1 -ATOM 465 C CB . LYS A 1 61 ? 40.498 7.943 19.380 1.00 11.59 ? 61 LYS A CB 1 -ATOM 466 C CG . LYS A 1 61 ? 40.505 6.524 19.931 1.00 12.40 ? 61 LYS A CG 1 -ATOM 467 C CD . LYS A 1 61 ? 41.836 6.162 20.554 1.00 13.36 ? 61 LYS A CD 1 -ATOM 468 C CE . LYS A 1 61 ? 41.793 4.742 21.094 1.00 14.03 ? 61 LYS A CE 1 -ATOM 469 N NZ . LYS A 1 61 ? 43.101 4.326 21.666 1.00 14.77 ? 61 LYS A NZ 1 -ATOM 470 N N . GLU A 1 62 ? 37.865 8.796 20.765 1.00 11.96 ? 62 GLU A N 1 -ATOM 471 C CA . GLU A 1 62 ? 36.838 8.520 21.762 1.00 12.58 ? 62 GLU A CA 1 -ATOM 472 C C . GLU A 1 62 ? 35.413 8.631 21.237 1.00 12.60 ? 62 GLU A C 1 -ATOM 473 O O . GLU A 1 62 ? 34.509 7.989 21.772 1.00 13.04 ? 62 GLU A O 1 -ATOM 474 C CB . GLU A 1 62 ? 37.021 9.424 22.989 1.00 13.12 ? 62 GLU A CB 1 -ATOM 475 C CG . GLU A 1 62 ? 38.355 9.220 23.699 1.00 14.24 ? 62 GLU A CG 1 -ATOM 476 C CD . GLU A 1 62 ? 38.443 9.948 25.032 1.00 14.68 ? 62 GLU A CD 1 -ATOM 477 O OE1 . GLU A 1 62 ? 37.936 11.085 25.137 1.00 15.56 ? 62 GLU A OE1 1 -ATOM 478 O OE2 . GLU A 1 62 ? 39.036 9.386 25.975 1.00 15.87 ? 62 GLU A OE2 1 -ATOM 479 N N . GLN A 1 63 ? 35.204 9.427 20.190 1.00 12.18 ? 63 GLN A N 1 -ATOM 480 C CA . GLN A 1 63 ? 33.863 9.577 19.635 1.00 11.93 ? 63 GLN A CA 1 -ATOM 481 C C . GLN A 1 63 ? 33.602 8.555 18.529 1.00 11.87 ? 63 GLN A C 1 -ATOM 482 O O . GLN A 1 63 ? 32.572 8.600 17.852 1.00 11.93 ? 63 GLN A O 1 -ATOM 483 C CB . GLN A 1 63 ? 33.646 11.002 19.106 1.00 11.71 ? 63 GLN A CB 1 -ATOM 484 C CG . GLN A 1 63 ? 34.369 11.333 17.810 1.00 11.36 ? 63 GLN A CG 1 -ATOM 485 C CD . GLN A 1 63 ? 34.049 12.734 17.312 1.00 11.28 ? 63 GLN A CD 1 -ATOM 486 O OE1 . GLN A 1 63 ? 34.376 13.097 16.180 1.00 11.01 ? 63 GLN A OE1 1 -ATOM 487 N NE2 . GLN A 1 63 ? 33.410 13.529 18.159 1.00 10.77 ? 63 GLN A NE2 1 -ATOM 488 N N . GLY A 1 64 ? 34.546 7.637 18.346 1.00 11.74 ? 64 GLY A N 1 -ATOM 489 C CA . GLY A 1 64 ? 34.391 6.598 17.344 1.00 11.73 ? 64 GLY A CA 1 -ATOM 490 C C . GLY A 1 64 ? 34.589 6.989 15.891 1.00 11.61 ? 64 GLY A C 1 -ATOM 491 O O . GLY A 1 64 ? 34.014 6.363 14.998 1.00 12.05 ? 64 GLY A O 1 -ATOM 492 N N . THR A 1 65 ? 35.395 8.016 15.641 1.00 11.20 ? 65 THR A N 1 -ATOM 493 C CA . THR A 1 65 ? 35.661 8.442 14.270 1.00 10.81 ? 65 THR A CA 1 -ATOM 494 C C . THR A 1 65 ? 37.162 8.600 14.040 1.00 10.88 ? 65 THR A C 1 -ATOM 495 O O . THR A 1 65 ? 37.633 9.672 13.652 1.00 10.57 ? 65 THR A O 1 -ATOM 496 C CB . THR A 1 65 ? 34.964 9.782 13.940 1.00 10.69 ? 65 THR A CB 1 -ATOM 497 O OG1 . THR A 1 65 ? 35.460 10.810 14.806 1.00 10.12 ? 65 THR A OG1 1 -ATOM 498 C CG2 . THR A 1 65 ? 33.458 9.658 14.108 1.00 10.74 ? 65 THR A CG2 1 -ATOM 499 N N . PRO A 1 66 ? 37.937 7.530 14.278 1.00 10.90 ? 66 PRO A N 1 -ATOM 500 C CA . PRO A 1 66 ? 39.387 7.593 14.083 1.00 11.08 ? 66 PRO A CA 1 -ATOM 501 C C . PRO A 1 66 ? 39.784 7.739 12.618 1.00 11.02 ? 66 PRO A C 1 -ATOM 502 O O . PRO A 1 66 ? 40.936 8.058 12.310 1.00 11.19 ? 66 PRO A O 1 -ATOM 503 C CB . PRO A 1 66 ? 39.870 6.280 14.691 1.00 11.23 ? 66 PRO A CB 1 -ATOM 504 C CG . PRO A 1 66 ? 38.732 5.352 14.405 1.00 11.32 ? 66 PRO A CG 1 -ATOM 505 C CD . PRO A 1 66 ? 37.531 6.195 14.754 1.00 11.13 ? 66 PRO A CD 1 -ATOM 506 N N . GLU A 1 67 ? 38.831 7.515 11.717 1.00 11.03 ? 67 GLU A N 1 -ATOM 507 C CA . GLU A 1 67 ? 39.104 7.620 10.288 1.00 11.00 ? 67 GLU A CA 1 -ATOM 508 C C . GLU A 1 67 ? 39.113 9.065 9.798 1.00 10.43 ? 67 GLU A C 1 -ATOM 509 O O . GLU A 1 67 ? 39.454 9.332 8.644 1.00 10.53 ? 67 GLU A O 1 -ATOM 510 C CB . GLU A 1 67 ? 38.084 6.813 9.473 1.00 11.82 ? 67 GLU A CB 1 -ATOM 511 C CG . GLU A 1 67 ? 36.666 7.354 9.535 1.00 13.14 ? 67 GLU A CG 1 -ATOM 512 C CD . GLU A 1 67 ? 35.831 6.696 10.614 1.00 13.89 ? 67 GLU A CD 1 -ATOM 513 O OE1 . GLU A 1 67 ? 36.342 6.504 11.736 1.00 14.47 ? 67 GLU A OE1 1 -ATOM 514 O OE2 . GLU A 1 67 ? 34.655 6.375 10.340 1.00 14.83 ? 67 GLU A OE2 1 -ATOM 515 N N . ILE A 1 68 ? 38.714 9.998 10.657 1.00 9.65 ? 68 ILE A N 1 -ATOM 516 C CA . ILE A 1 68 ? 38.739 11.405 10.271 1.00 9.01 ? 68 ILE A CA 1 -ATOM 517 C C . ILE A 1 68 ? 40.200 11.834 10.398 1.00 8.67 ? 68 ILE A C 1 -ATOM 518 O O . ILE A 1 68 ? 40.777 11.776 11.485 1.00 8.74 ? 68 ILE A O 1 -ATOM 519 C CB . ILE A 1 68 ? 37.841 12.267 11.189 1.00 8.78 ? 68 ILE A CB 1 -ATOM 520 C CG1 . ILE A 1 68 ? 36.370 11.866 10.995 1.00 8.68 ? 68 ILE A CG1 1 -ATOM 521 C CG2 . ILE A 1 68 ? 38.041 13.752 10.873 1.00 8.50 ? 68 ILE A CG2 1 -ATOM 522 C CD1 . ILE A 1 68 ? 35.381 12.676 11.811 1.00 8.67 ? 68 ILE A CD1 1 -ATOM 523 N N . ARG A 1 69 ? 40.800 12.240 9.282 1.00 8.03 ? 69 ARG A N 1 -ATOM 524 C CA . ARG A 1 69 ? 42.206 12.643 9.275 1.00 7.76 ? 69 ARG A CA 1 -ATOM 525 C C . ARG A 1 69 ? 42.486 13.975 9.951 1.00 6.97 ? 69 ARG A C 1 -ATOM 526 O O . ARG A 1 69 ? 41.598 14.810 10.118 1.00 6.65 ? 69 ARG A O 1 -ATOM 527 C CB . ARG A 1 69 ? 42.745 12.728 7.844 1.00 8.60 ? 69 ARG A CB 1 -ATOM 528 C CG . ARG A 1 69 ? 42.758 11.426 7.068 1.00 10.35 ? 69 ARG A CG 1 -ATOM 529 C CD . ARG A 1 69 ? 41.408 11.140 6.486 1.00 11.85 ? 69 ARG A CD 1 -ATOM 530 N NE . ARG A 1 69 ? 41.499 10.375 5.248 1.00 13.03 ? 69 ARG A NE 1 -ATOM 531 C CZ . ARG A 1 69 ? 40.490 10.241 4.397 1.00 12.72 ? 69 ARG A CZ 1 -ATOM 532 N NH1 . ARG A 1 69 ? 39.331 10.824 4.664 1.00 12.83 ? 69 ARG A NH1 1 -ATOM 533 N NH2 . ARG A 1 69 ? 40.635 9.526 3.289 1.00 13.01 ? 69 ARG A NH2 1 -ATOM 534 N N . ILE A 1 70 ? 43.742 14.171 10.330 1.00 6.34 ? 70 ILE A N 1 -ATOM 535 C CA . ILE A 1 70 ? 44.135 15.420 10.953 1.00 5.82 ? 70 ILE A CA 1 -ATOM 536 C C . ILE A 1 70 ? 45.182 16.113 10.103 1.00 5.49 ? 70 ILE A C 1 -ATOM 537 O O . ILE A 1 70 ? 46.305 15.627 9.949 1.00 5.55 ? 70 ILE A O 1 -ATOM 538 C CB . ILE A 1 70 ? 44.705 15.205 12.365 1.00 5.87 ? 70 ILE A CB 1 -ATOM 539 C CG1 . ILE A 1 70 ? 43.656 14.513 13.236 1.00 6.17 ? 70 ILE A CG1 1 -ATOM 540 C CG2 . ILE A 1 70 ? 45.086 16.553 12.981 1.00 6.13 ? 70 ILE A CG2 1 -ATOM 541 C CD1 . ILE A 1 70 ? 44.113 14.231 14.654 1.00 6.51 ? 70 ILE A CD1 1 -ATOM 542 N N . ALA A 1 71 ? 44.786 17.240 9.528 1.00 5.06 ? 71 ALA A N 1 -ATOM 543 C CA . ALA A 1 71 ? 45.674 18.045 8.711 1.00 4.85 ? 71 ALA A CA 1 -ATOM 544 C C . ALA A 1 71 ? 46.065 19.261 9.537 1.00 4.81 ? 71 ALA A C 1 -ATOM 545 O O . ALA A 1 71 ? 45.365 19.645 10.481 1.00 4.74 ? 71 ALA A O 1 -ATOM 546 C CB . ALA A 1 71 ? 44.963 18.486 7.430 1.00 5.13 ? 71 ALA A CB 1 -ATOM 547 N N . THR A 1 72 ? 47.188 19.864 9.181 1.00 4.77 ? 72 THR A N 1 -ATOM 548 C CA . THR A 1 72 ? 47.656 21.039 9.882 1.00 4.72 ? 72 THR A CA 1 -ATOM 549 C C . THR A 1 72 ? 48.376 21.950 8.891 1.00 4.75 ? 72 THR A C 1 -ATOM 550 O O . THR A 1 72 ? 48.458 21.638 7.700 1.00 5.15 ? 72 THR A O 1 -ATOM 551 C CB . THR A 1 72 ? 48.576 20.640 11.062 1.00 4.97 ? 72 THR A CB 1 -ATOM 552 O OG1 . THR A 1 72 ? 48.830 21.791 11.873 1.00 4.68 ? 72 THR A OG1 1 -ATOM 553 C CG2 . THR A 1 72 ? 49.896 20.058 10.560 1.00 4.82 ? 72 THR A CG2 1 -ATOM 554 N N . VAL A 1 73 ? 48.883 23.078 9.374 1.00 4.91 ? 73 VAL A N 1 -ATOM 555 C CA . VAL A 1 73 ? 49.565 24.032 8.506 1.00 4.84 ? 73 VAL A CA 1 -ATOM 556 C C . VAL A 1 73 ? 50.950 24.417 9.020 1.00 4.65 ? 73 VAL A C 1 -ATOM 557 O O . VAL A 1 73 ? 51.166 24.482 10.228 1.00 4.81 ? 73 VAL A O 1 -ATOM 558 C CB . VAL A 1 73 ? 48.725 25.324 8.346 1.00 5.10 ? 73 VAL A CB 1 -ATOM 559 C CG1 . VAL A 1 73 ? 47.410 25.007 7.654 1.00 5.42 ? 73 VAL A CG1 1 -ATOM 560 C CG2 . VAL A 1 73 ? 48.455 25.945 9.710 1.00 5.26 ? 73 VAL A CG2 1 -ATOM 561 N N . THR A 1 74 ? 51.884 24.649 8.096 1.00 4.39 ? 74 THR A N 1 -ATOM 562 C CA . THR A 1 74 ? 53.242 25.074 8.452 1.00 4.28 ? 74 THR A CA 1 -ATOM 563 C C . THR A 1 74 ? 53.725 26.177 7.502 1.00 4.41 ? 74 THR A C 1 -ATOM 564 O O . THR A 1 74 ? 53.176 26.343 6.405 1.00 4.45 ? 74 THR A O 1 -ATOM 565 C CB . THR A 1 74 ? 54.251 23.900 8.452 1.00 4.18 ? 74 THR A CB 1 -ATOM 566 O OG1 . THR A 1 74 ? 54.299 23.290 7.159 1.00 4.17 ? 74 THR A OG1 1 -ATOM 567 C CG2 . THR A 1 74 ? 53.862 22.868 9.505 1.00 4.34 ? 74 THR A CG2 1 -ATOM 568 N N . ASN A 1 75 ? 54.751 26.915 7.932 1.00 4.78 ? 75 ASN A N 1 -ATOM 569 C CA . ASN A 1 75 ? 55.303 28.063 7.192 1.00 4.54 ? 75 ASN A CA 1 -ATOM 570 C C . ASN A 1 75 ? 54.100 28.957 6.912 1.00 4.72 ? 75 ASN A C 1 -ATOM 571 O O . ASN A 1 75 ? 54.029 29.648 5.902 1.00 4.61 ? 75 ASN A O 1 -ATOM 572 C CB . ASN A 1 75 ? 55.964 27.625 5.876 1.00 4.73 ? 75 ASN A CB 1 -ATOM 573 C CG . ASN A 1 75 ? 56.961 28.651 5.371 1.00 4.59 ? 75 ASN A CG 1 -ATOM 574 O OD1 . ASN A 1 75 ? 57.689 29.243 6.167 1.00 4.96 ? 75 ASN A OD1 1 -ATOM 575 N ND2 . ASN A 1 75 ? 57.010 28.859 4.057 1.00 4.42 ? 75 ASN A ND2 1 -ATOM 576 N N . PHE A 1 76 ? 53.187 28.956 7.874 1.00 4.92 ? 76 PHE A N 1 -ATOM 577 C CA . PHE A 1 76 ? 51.896 29.622 7.785 1.00 5.11 ? 76 PHE A CA 1 -ATOM 578 C C . PHE A 1 76 ? 51.707 30.864 8.656 1.00 5.38 ? 76 PHE A C 1 -ATOM 579 O O . PHE A 1 76 ? 52.168 30.913 9.790 1.00 5.77 ? 76 PHE A O 1 -ATOM 580 C CB . PHE A 1 76 ? 50.865 28.541 8.131 1.00 5.07 ? 76 PHE A CB 1 -ATOM 581 C CG . PHE A 1 76 ? 49.432 28.957 7.992 1.00 4.89 ? 76 PHE A CG 1 -ATOM 582 C CD1 . PHE A 1 76 ? 48.784 29.641 9.014 1.00 4.98 ? 76 PHE A CD1 1 -ATOM 583 C CD2 . PHE A 1 76 ? 48.706 28.581 6.867 1.00 4.69 ? 76 PHE A CD2 1 -ATOM 584 C CE1 . PHE A 1 76 ? 47.430 29.938 8.924 1.00 5.21 ? 76 PHE A CE1 1 -ATOM 585 C CE2 . PHE A 1 76 ? 47.352 28.872 6.766 1.00 5.06 ? 76 PHE A CE2 1 -ATOM 586 C CZ . PHE A 1 76 ? 46.711 29.550 7.796 1.00 5.06 ? 76 PHE A CZ 1 -ATOM 587 N N . PRO A 1 77 ? 51.021 31.894 8.130 1.00 5.68 ? 77 PRO A N 1 -ATOM 588 C CA . PRO A 1 77 ? 50.419 31.980 6.795 1.00 5.73 ? 77 PRO A CA 1 -ATOM 589 C C . PRO A 1 77 ? 51.340 32.745 5.851 1.00 5.81 ? 77 PRO A C 1 -ATOM 590 O O . PRO A 1 77 ? 51.054 32.885 4.662 1.00 5.75 ? 77 PRO A O 1 -ATOM 591 C CB . PRO A 1 77 ? 49.136 32.751 7.063 1.00 6.05 ? 77 PRO A CB 1 -ATOM 592 C CG . PRO A 1 77 ? 49.603 33.765 8.066 1.00 6.01 ? 77 PRO A CG 1 -ATOM 593 C CD . PRO A 1 77 ? 50.463 32.934 9.016 1.00 5.99 ? 77 PRO A CD 1 -ATOM 594 N N . HIS A 1 78 ? 52.452 33.211 6.404 1.00 5.66 ? 78 HIS A N 1 -ATOM 595 C CA . HIS A 1 78 ? 53.430 34.027 5.694 1.00 5.85 ? 78 HIS A CA 1 -ATOM 596 C C . HIS A 1 78 ? 54.072 33.502 4.416 1.00 5.79 ? 78 HIS A C 1 -ATOM 597 O O . HIS A 1 78 ? 54.300 34.273 3.486 1.00 6.05 ? 78 HIS A O 1 -ATOM 598 C CB . HIS A 1 78 ? 54.538 34.442 6.667 1.00 6.16 ? 78 HIS A CB 1 -ATOM 599 C CG . HIS A 1 78 ? 55.177 33.289 7.381 1.00 6.38 ? 78 HIS A CG 1 -ATOM 600 N ND1 . HIS A 1 78 ? 54.902 32.980 8.697 1.00 7.18 ? 78 HIS A ND1 1 -ATOM 601 C CD2 . HIS A 1 78 ? 56.060 32.356 6.953 1.00 6.28 ? 78 HIS A CD2 1 -ATOM 602 C CE1 . HIS A 1 78 ? 55.590 31.908 9.047 1.00 6.76 ? 78 HIS A CE1 1 -ATOM 603 N NE2 . HIS A 1 78 ? 56.300 31.509 8.007 1.00 7.53 ? 78 HIS A NE2 1 -ATOM 604 N N . GLY A 1 79 ? 54.380 32.212 4.358 1.00 5.76 ? 79 GLY A N 1 -ATOM 605 C CA . GLY A 1 79 ? 55.029 31.691 3.169 1.00 5.68 ? 79 GLY A CA 1 -ATOM 606 C C . GLY A 1 79 ? 56.424 32.282 3.021 1.00 5.76 ? 79 GLY A C 1 -ATOM 607 O O . GLY A 1 79 ? 56.850 32.620 1.912 1.00 5.50 ? 79 GLY A O 1 -ATOM 608 N N . ASN A 1 80 ? 57.136 32.429 4.137 1.00 5.89 ? 80 ASN A N 1 -ATOM 609 C CA . ASN A 1 80 ? 58.490 32.974 4.094 1.00 6.04 ? 80 ASN A CA 1 -ATOM 610 C C . ASN A 1 80 ? 59.401 32.017 3.325 1.00 6.23 ? 80 ASN A C 1 -ATOM 611 O O . ASN A 1 80 ? 59.068 30.842 3.129 1.00 6.09 ? 80 ASN A O 1 -ATOM 612 C CB . ASN A 1 80 ? 59.031 33.217 5.512 1.00 6.36 ? 80 ASN A CB 1 -ATOM 613 C CG . ASN A 1 80 ? 58.342 34.380 6.212 1.00 6.62 ? 80 ASN A CG 1 -ATOM 614 O OD1 . ASN A 1 80 ? 57.723 35.232 5.569 1.00 7.05 ? 80 ASN A OD1 1 -ATOM 615 N ND2 . ASN A 1 80 ? 58.461 34.429 7.535 1.00 6.95 ? 80 ASN A ND2 1 -ATOM 616 N N . ASP A 1 81 ? 60.556 32.518 2.898 1.00 6.75 ? 81 ASP A N 1 -ATOM 617 C CA . ASP A 1 81 ? 61.487 31.716 2.114 1.00 7.28 ? 81 ASP A CA 1 -ATOM 618 C C . ASP A 1 81 ? 62.602 31.028 2.889 1.00 7.20 ? 81 ASP A C 1 -ATOM 619 O O . ASP A 1 81 ? 63.618 30.655 2.301 1.00 7.42 ? 81 ASP A O 1 -ATOM 620 C CB . ASP A 1 81 ? 62.113 32.569 1.005 1.00 8.29 ? 81 ASP A CB 1 -ATOM 621 C CG . ASP A 1 81 ? 62.840 33.781 1.543 1.00 9.47 ? 81 ASP A CG 1 -ATOM 622 O OD1 . ASP A 1 81 ? 63.332 33.728 2.691 1.00 10.37 ? 81 ASP A OD1 1 -ATOM 623 O OD2 . ASP A 1 81 ? 62.935 34.787 0.805 1.00 11.10 ? 81 ASP A OD2 1 -ATOM 624 N N . ASP A 1 82 ? 62.429 30.863 4.197 1.00 6.94 ? 82 ASP A N 1 -ATOM 625 C CA . ASP A 1 82 ? 63.449 30.195 4.998 1.00 6.75 ? 82 ASP A CA 1 -ATOM 626 C C . ASP A 1 82 ? 63.115 28.702 5.048 1.00 6.43 ? 82 ASP A C 1 -ATOM 627 O O . ASP A 1 82 ? 62.201 28.276 5.753 1.00 6.23 ? 82 ASP A O 1 -ATOM 628 C CB . ASP A 1 82 ? 63.490 30.779 6.411 1.00 7.13 ? 82 ASP A CB 1 -ATOM 629 C CG . ASP A 1 82 ? 64.669 30.269 7.214 1.00 7.43 ? 82 ASP A CG 1 -ATOM 630 O OD1 . ASP A 1 82 ? 64.862 29.038 7.275 1.00 7.60 ? 82 ASP A OD1 1 -ATOM 631 O OD2 . ASP A 1 82 ? 65.407 31.098 7.787 1.00 8.52 ? 82 ASP A OD2 1 -ATOM 632 N N . ILE A 1 83 ? 63.859 27.912 4.285 1.00 6.32 ? 83 ILE A N 1 -ATOM 633 C CA . ILE A 1 83 ? 63.622 26.477 4.217 1.00 6.46 ? 83 ILE A CA 1 -ATOM 634 C C . ILE A 1 83 ? 63.844 25.765 5.548 1.00 6.56 ? 83 ILE A C 1 -ATOM 635 O O . ILE A 1 83 ? 63.071 24.884 5.914 1.00 6.13 ? 83 ILE A O 1 -ATOM 636 C CB . ILE A 1 83 ? 64.509 25.832 3.132 1.00 6.67 ? 83 ILE A CB 1 -ATOM 637 C CG1 . ILE A 1 83 ? 64.186 26.455 1.771 1.00 6.71 ? 83 ILE A CG1 1 -ATOM 638 C CG2 . ILE A 1 83 ? 64.268 24.327 3.083 1.00 6.54 ? 83 ILE A CG2 1 -ATOM 639 C CD1 . ILE A 1 83 ? 65.116 26.013 0.665 1.00 7.44 ? 83 ILE A CD1 1 -ATOM 640 N N . ASP A 1 84 ? 64.887 26.144 6.280 1.00 6.92 ? 84 ASP A N 1 -ATOM 641 C CA . ASP A 1 84 ? 65.156 25.500 7.561 1.00 7.20 ? 84 ASP A CA 1 -ATOM 642 C C . ASP A 1 84 ? 63.976 25.634 8.514 1.00 6.67 ? 84 ASP A C 1 -ATOM 643 O O . ASP A 1 84 ? 63.613 24.679 9.202 1.00 6.78 ? 84 ASP A O 1 -ATOM 644 C CB . ASP A 1 84 ? 66.411 26.083 8.216 1.00 8.36 ? 84 ASP A CB 1 -ATOM 645 C CG . ASP A 1 84 ? 67.666 25.819 7.408 1.00 9.56 ? 84 ASP A CG 1 -ATOM 646 O OD1 . ASP A 1 84 ? 67.726 24.776 6.723 1.00 10.87 ? 84 ASP A OD1 1 -ATOM 647 O OD2 . ASP A 1 84 ? 68.600 26.647 7.467 1.00 11.47 ? 84 ASP A OD2 1 -ATOM 648 N N . ILE A 1 85 ? 63.373 26.815 8.555 1.00 6.20 ? 85 ILE A N 1 -ATOM 649 C CA . ILE A 1 85 ? 62.234 27.034 9.431 1.00 5.75 ? 85 ILE A CA 1 -ATOM 650 C C . ILE A 1 85 ? 61.020 26.233 8.965 1.00 5.53 ? 85 ILE A C 1 -ATOM 651 O O . ILE A 1 85 ? 60.356 25.583 9.775 1.00 5.34 ? 85 ILE A O 1 -ATOM 652 C CB . ILE A 1 85 ? 61.881 28.544 9.525 1.00 5.78 ? 85 ILE A CB 1 -ATOM 653 C CG1 . ILE A 1 85 ? 62.940 29.256 10.377 1.00 6.07 ? 85 ILE A CG1 1 -ATOM 654 C CG2 . ILE A 1 85 ? 60.488 28.731 10.133 1.00 5.99 ? 85 ILE A CG2 1 -ATOM 655 C CD1 . ILE A 1 85 ? 62.731 30.752 10.531 1.00 6.14 ? 85 ILE A CD1 1 -ATOM 656 N N . ALA A 1 86 ? 60.737 26.263 7.666 1.00 5.28 ? 86 ALA A N 1 -ATOM 657 C CA . ALA A 1 86 ? 59.593 25.528 7.136 1.00 5.19 ? 86 ALA A CA 1 -ATOM 658 C C . ALA A 1 86 ? 59.752 24.040 7.422 1.00 5.14 ? 86 ALA A C 1 -ATOM 659 O O . ALA A 1 86 ? 58.793 23.367 7.791 1.00 5.06 ? 86 ALA A O 1 -ATOM 660 C CB . ALA A 1 86 ? 59.457 25.765 5.629 1.00 5.30 ? 86 ALA A CB 1 -ATOM 661 N N . LEU A 1 87 ? 60.970 23.532 7.258 1.00 5.05 ? 87 LEU A N 1 -ATOM 662 C CA . LEU A 1 87 ? 61.244 22.123 7.503 1.00 5.06 ? 87 LEU A CA 1 -ATOM 663 C C . LEU A 1 87 ? 61.106 21.761 8.979 1.00 5.03 ? 87 LEU A C 1 -ATOM 664 O O . LEU A 1 87 ? 60.541 20.721 9.313 1.00 5.08 ? 87 LEU A O 1 -ATOM 665 C CB . LEU A 1 87 ? 62.647 21.757 7.012 1.00 5.33 ? 87 LEU A CB 1 -ATOM 666 C CG . LEU A 1 87 ? 63.065 20.300 7.231 1.00 5.49 ? 87 LEU A CG 1 -ATOM 667 C CD1 . LEU A 1 87 ? 62.067 19.368 6.559 1.00 5.69 ? 87 LEU A CD1 1 -ATOM 668 C CD2 . LEU A 1 87 ? 64.461 20.077 6.672 1.00 5.83 ? 87 LEU A CD2 1 -ATOM 669 N N . ALA A 1 88 ? 61.630 22.612 9.857 1.00 4.70 ? 88 ALA A N 1 -ATOM 670 C CA . ALA A 1 88 ? 61.546 22.372 11.293 1.00 4.47 ? 88 ALA A CA 1 -ATOM 671 C C . ALA A 1 88 ? 60.087 22.334 11.746 1.00 4.35 ? 88 ALA A C 1 -ATOM 672 O O . ALA A 1 88 ? 59.706 21.468 12.530 1.00 4.25 ? 88 ALA A O 1 -ATOM 673 C CB . ALA A 1 88 ? 62.315 23.451 12.051 1.00 4.82 ? 88 ALA A CB 1 -ATOM 674 N N . GLU A 1 89 ? 59.270 23.264 11.252 1.00 4.30 ? 89 GLU A N 1 -ATOM 675 C CA . GLU A 1 89 ? 57.854 23.293 11.619 1.00 4.32 ? 89 GLU A CA 1 -ATOM 676 C C . GLU A 1 89 ? 57.151 22.041 11.104 1.00 4.41 ? 89 GLU A C 1 -ATOM 677 O O . GLU A 1 89 ? 56.300 21.474 11.785 1.00 4.50 ? 89 GLU A O 1 -ATOM 678 C CB . GLU A 1 89 ? 57.171 24.545 11.059 1.00 4.73 ? 89 GLU A CB 1 -ATOM 679 C CG . GLU A 1 89 ? 57.755 25.842 11.602 1.00 5.28 ? 89 GLU A CG 1 -ATOM 680 C CD . GLU A 1 89 ? 56.968 27.064 11.184 1.00 5.98 ? 89 GLU A CD 1 -ATOM 681 O OE1 . GLU A 1 89 ? 56.168 26.968 10.235 1.00 6.84 ? 89 GLU A OE1 1 -ATOM 682 O OE2 . GLU A 1 89 ? 57.158 28.131 11.799 1.00 6.80 ? 89 GLU A OE2 1 -ATOM 683 N N . THR A 1 90 ? 57.521 21.607 9.905 1.00 4.36 ? 90 THR A N 1 -ATOM 684 C CA . THR A 1 90 ? 56.934 20.417 9.308 1.00 4.60 ? 90 THR A CA 1 -ATOM 685 C C . THR A 1 90 ? 57.308 19.165 10.102 1.00 4.84 ? 90 THR A C 1 -ATOM 686 O O . THR A 1 90 ? 56.468 18.294 10.333 1.00 4.74 ? 90 THR A O 1 -ATOM 687 C CB . THR A 1 90 ? 57.365 20.292 7.827 1.00 4.50 ? 90 THR A CB 1 -ATOM 688 O OG1 . THR A 1 90 ? 56.833 21.409 7.093 1.00 4.84 ? 90 THR A OG1 1 -ATOM 689 C CG2 . THR A 1 90 ? 56.840 18.998 7.211 1.00 4.54 ? 90 THR A CG2 1 -ATOM 690 N N . ARG A 1 91 ? 58.559 19.079 10.543 1.00 4.87 ? 91 ARG A N 1 -ATOM 691 C CA . ARG A 1 91 ? 58.982 17.928 11.333 1.00 5.12 ? 91 ARG A CA 1 -ATOM 692 C C . ARG A 1 91 ? 58.256 17.940 12.680 1.00 4.82 ? 91 ARG A C 1 -ATOM 693 O O . ARG A 1 91 ? 57.915 16.887 13.219 1.00 4.48 ? 91 ARG A O 1 -ATOM 694 C CB . ARG A 1 91 ? 60.501 17.944 11.542 1.00 6.31 ? 91 ARG A CB 1 -ATOM 695 C CG . ARG A 1 91 ? 61.300 17.586 10.289 1.00 8.05 ? 91 ARG A CG 1 -ATOM 696 C CD . ARG A 1 91 ? 62.802 17.655 10.547 1.00 10.06 ? 91 ARG A CD 1 -ATOM 697 N NE . ARG A 1 91 ? 63.598 17.358 9.357 1.00 11.94 ? 91 ARG A NE 1 -ATOM 698 C CZ . ARG A 1 91 ? 64.918 17.513 9.279 1.00 12.88 ? 91 ARG A CZ 1 -ATOM 699 N NH1 . ARG A 1 91 ? 65.603 17.966 10.323 1.00 13.84 ? 91 ARG A NH1 1 -ATOM 700 N NH2 . ARG A 1 91 ? 65.559 17.210 8.159 1.00 13.62 ? 91 ARG A NH2 1 -ATOM 701 N N . ALA A 1 92 ? 58.005 19.131 13.218 1.00 4.44 ? 92 ALA A N 1 -ATOM 702 C CA . ALA A 1 92 ? 57.296 19.239 14.488 1.00 4.72 ? 92 ALA A CA 1 -ATOM 703 C C . ALA A 1 92 ? 55.851 18.779 14.304 1.00 4.50 ? 92 ALA A C 1 -ATOM 704 O O . ALA A 1 92 ? 55.308 18.054 15.143 1.00 4.57 ? 92 ALA A O 1 -ATOM 705 C CB . ALA A 1 92 ? 57.334 20.677 14.999 1.00 4.57 ? 92 ALA A CB 1 -ATOM 706 N N . ALA A 1 93 ? 55.232 19.192 13.200 1.00 4.74 ? 93 ALA A N 1 -ATOM 707 C CA . ALA A 1 93 ? 53.856 18.806 12.902 1.00 4.62 ? 93 ALA A CA 1 -ATOM 708 C C . ALA A 1 93 ? 53.760 17.282 12.817 1.00 4.65 ? 93 ALA A C 1 -ATOM 709 O O . ALA A 1 93 ? 52.806 16.677 13.320 1.00 4.71 ? 93 ALA A O 1 -ATOM 710 C CB . ALA A 1 93 ? 53.413 19.438 11.587 1.00 4.72 ? 93 ALA A CB 1 -ATOM 711 N N . ILE A 1 94 ? 54.745 16.668 12.169 1.00 4.84 ? 94 ILE A N 1 -ATOM 712 C CA . ILE A 1 94 ? 54.785 15.217 12.039 1.00 5.25 ? 94 ILE A CA 1 -ATOM 713 C C . ILE A 1 94 ? 54.900 14.580 13.428 1.00 5.32 ? 94 ILE A C 1 -ATOM 714 O O . ILE A 1 94 ? 54.190 13.621 13.741 1.00 5.54 ? 94 ILE A O 1 -ATOM 715 C CB . ILE A 1 94 ? 55.976 14.791 11.148 1.00 5.65 ? 94 ILE A CB 1 -ATOM 716 C CG1 . ILE A 1 94 ? 55.709 15.232 9.706 1.00 5.93 ? 94 ILE A CG1 1 -ATOM 717 C CG2 . ILE A 1 94 ? 56.188 13.283 11.220 1.00 5.96 ? 94 ILE A CG2 1 -ATOM 718 C CD1 . ILE A 1 94 ? 56.908 15.128 8.786 1.00 6.54 ? 94 ILE A CD1 1 -ATOM 719 N N . ALA A 1 95 ? 55.783 15.127 14.262 1.00 5.13 ? 95 ALA A N 1 -ATOM 720 C CA . ALA A 1 95 ? 55.984 14.625 15.620 1.00 5.26 ? 95 ALA A CA 1 -ATOM 721 C C . ALA A 1 95 ? 54.722 14.738 16.476 1.00 5.27 ? 95 ALA A C 1 -ATOM 722 O O . ALA A 1 95 ? 54.469 13.883 17.327 1.00 5.83 ? 95 ALA A O 1 -ATOM 723 C CB . ALA A 1 95 ? 57.140 15.366 16.285 1.00 5.12 ? 95 ALA A CB 1 -ATOM 724 N N . TYR A 1 96 ? 53.935 15.793 16.270 1.00 5.12 ? 96 TYR A N 1 -ATOM 725 C CA . TYR A 1 96 ? 52.690 15.970 17.019 1.00 5.04 ? 96 TYR A CA 1 -ATOM 726 C C . TYR A 1 96 ? 51.706 14.867 16.639 1.00 5.21 ? 96 TYR A C 1 -ATOM 727 O O . TYR A 1 96 ? 50.817 14.527 17.419 1.00 5.76 ? 96 TYR A O 1 -ATOM 728 C CB . TYR A 1 96 ? 52.038 17.316 16.701 1.00 4.91 ? 96 TYR A CB 1 -ATOM 729 C CG . TYR A 1 96 ? 52.515 18.497 17.513 1.00 4.34 ? 96 TYR A CG 1 -ATOM 730 C CD1 . TYR A 1 96 ? 52.375 18.523 18.901 1.00 4.36 ? 96 TYR A CD1 1 -ATOM 731 C CD2 . TYR A 1 96 ? 53.027 19.627 16.883 1.00 4.25 ? 96 TYR A CD2 1 -ATOM 732 C CE1 . TYR A 1 96 ? 52.726 19.655 19.638 1.00 4.58 ? 96 TYR A CE1 1 -ATOM 733 C CE2 . TYR A 1 96 ? 53.380 20.762 17.608 1.00 4.33 ? 96 TYR A CE2 1 -ATOM 734 C CZ . TYR A 1 96 ? 53.226 20.771 18.983 1.00 4.31 ? 96 TYR A CZ 1 -ATOM 735 O OH . TYR A 1 96 ? 53.563 21.901 19.698 1.00 4.96 ? 96 TYR A OH 1 -ATOM 736 N N . GLY A 1 97 ? 51.853 14.343 15.424 1.00 5.13 ? 97 GLY A N 1 -ATOM 737 C CA . GLY A 1 97 ? 50.979 13.280 14.953 1.00 5.35 ? 97 GLY A CA 1 -ATOM 738 C C . GLY A 1 97 ? 50.125 13.601 13.736 1.00 5.42 ? 97 GLY A C 1 -ATOM 739 O O . GLY A 1 97 ? 49.149 12.903 13.467 1.00 5.91 ? 97 GLY A O 1 -ATOM 740 N N . ALA A 1 98 ? 50.481 14.636 12.983 1.00 5.08 ? 98 ALA A N 1 -ATOM 741 C CA . ALA A 1 98 ? 49.698 15.005 11.809 1.00 5.02 ? 98 ALA A CA 1 -ATOM 742 C C . ALA A 1 98 ? 49.631 13.910 10.750 1.00 5.08 ? 98 ALA A C 1 -ATOM 743 O O . ALA A 1 98 ? 50.586 13.167 10.547 1.00 5.15 ? 98 ALA A O 1 -ATOM 744 C CB . ALA A 1 98 ? 50.269 16.272 11.183 1.00 4.83 ? 98 ALA A CB 1 -ATOM 745 N N . ASP A 1 99 ? 48.485 13.808 10.085 1.00 4.91 ? 99 ASP A N 1 -ATOM 746 C CA . ASP A 1 99 ? 48.327 12.848 8.998 1.00 4.96 ? 99 ASP A CA 1 -ATOM 747 C C . ASP A 1 99 ? 48.707 13.565 7.709 1.00 4.77 ? 99 ASP A C 1 -ATOM 748 O O . ASP A 1 99 ? 49.161 12.947 6.750 1.00 5.03 ? 99 ASP A O 1 -ATOM 749 C CB . ASP A 1 99 ? 46.875 12.375 8.864 1.00 5.20 ? 99 ASP A CB 1 -ATOM 750 C CG . ASP A 1 99 ? 46.429 11.513 10.017 1.00 5.74 ? 99 ASP A CG 1 -ATOM 751 O OD1 . ASP A 1 99 ? 47.188 10.597 10.396 1.00 6.55 ? 99 ASP A OD1 1 -ATOM 752 O OD2 . ASP A 1 99 ? 45.315 11.749 10.534 1.00 6.03 ? 99 ASP A OD2 1 -ATOM 753 N N . GLU A 1 100 ? 48.507 14.881 7.697 1.00 4.81 ? 100 GLU A N 1 -ATOM 754 C CA . GLU A 1 100 ? 48.788 15.697 6.521 1.00 4.71 ? 100 GLU A CA 1 -ATOM 755 C C . GLU A 1 100 ? 49.282 17.079 6.934 1.00 4.39 ? 100 GLU A C 1 -ATOM 756 O O . GLU A 1 100 ? 48.860 17.619 7.957 1.00 4.37 ? 100 GLU A O 1 -ATOM 757 C CB . GLU A 1 100 ? 47.516 15.846 5.679 1.00 5.24 ? 100 GLU A CB 1 -ATOM 758 C CG . GLU A 1 100 ? 46.726 14.550 5.535 1.00 5.97 ? 100 GLU A CG 1 -ATOM 759 C CD . GLU A 1 100 ? 45.490 14.691 4.668 1.00 6.14 ? 100 GLU A CD 1 -ATOM 760 O OE1 . GLU A 1 100 ? 44.970 15.819 4.539 1.00 6.27 ? 100 GLU A OE1 1 -ATOM 761 O OE2 . GLU A 1 100 ? 45.030 13.664 4.129 1.00 6.72 ? 100 GLU A OE2 1 -ATOM 762 N N . VAL A 1 101 ? 50.180 17.644 6.136 1.00 4.26 ? 101 VAL A N 1 -ATOM 763 C CA . VAL A 1 101 ? 50.724 18.970 6.397 1.00 4.57 ? 101 VAL A CA 1 -ATOM 764 C C . VAL A 1 101 ? 50.476 19.852 5.181 1.00 4.50 ? 101 VAL A C 1 -ATOM 765 O O . VAL A 1 101 ? 50.837 19.486 4.064 1.00 4.71 ? 101 VAL A O 1 -ATOM 766 C CB . VAL A 1 101 ? 52.250 18.920 6.666 1.00 4.87 ? 101 VAL A CB 1 -ATOM 767 C CG1 . VAL A 1 101 ? 52.803 20.341 6.808 1.00 5.25 ? 101 VAL A CG1 1 -ATOM 768 C CG2 . VAL A 1 101 ? 52.526 18.125 7.938 1.00 5.20 ? 101 VAL A CG2 1 -ATOM 769 N N . ASP A 1 102 ? 49.837 20.995 5.407 1.00 4.59 ? 102 ASP A N 1 -ATOM 770 C CA . ASP A 1 102 ? 49.554 21.961 4.349 1.00 4.59 ? 102 ASP A CA 1 -ATOM 771 C C . ASP A 1 102 ? 50.585 23.079 4.548 1.00 4.30 ? 102 ASP A C 1 -ATOM 772 O O . ASP A 1 102 ? 50.431 23.920 5.438 1.00 4.46 ? 102 ASP A O 1 -ATOM 773 C CB . ASP A 1 102 ? 48.141 22.538 4.511 1.00 4.99 ? 102 ASP A CB 1 -ATOM 774 C CG . ASP A 1 102 ? 47.028 21.513 4.260 1.00 5.52 ? 102 ASP A CG 1 -ATOM 775 O OD1 . ASP A 1 102 ? 47.260 20.288 4.363 1.00 5.57 ? 102 ASP A OD1 1 -ATOM 776 O OD2 . ASP A 1 102 ? 45.888 21.952 3.979 1.00 6.05 ? 102 ASP A OD2 1 -ATOM 777 N N . VAL A 1 103 ? 51.634 23.089 3.730 1.00 4.09 ? 103 VAL A N 1 -ATOM 778 C CA . VAL A 1 103 ? 52.696 24.087 3.856 1.00 4.11 ? 103 VAL A CA 1 -ATOM 779 C C . VAL A 1 103 ? 52.505 25.248 2.887 1.00 3.86 ? 103 VAL A C 1 -ATOM 780 O O . VAL A 1 103 ? 52.022 25.055 1.771 1.00 4.01 ? 103 VAL A O 1 -ATOM 781 C CB . VAL A 1 103 ? 54.085 23.436 3.599 1.00 4.07 ? 103 VAL A CB 1 -ATOM 782 C CG1 . VAL A 1 103 ? 54.215 23.029 2.136 1.00 4.19 ? 103 VAL A CG1 1 -ATOM 783 C CG2 . VAL A 1 103 ? 55.203 24.391 3.991 1.00 4.29 ? 103 VAL A CG2 1 -ATOM 784 N N . VAL A 1 104 ? 52.873 26.456 3.311 1.00 3.73 ? 104 VAL A N 1 -ATOM 785 C CA . VAL A 1 104 ? 52.737 27.616 2.433 1.00 3.88 ? 104 VAL A CA 1 -ATOM 786 C C . VAL A 1 104 ? 53.981 27.793 1.569 1.00 4.01 ? 104 VAL A C 1 -ATOM 787 O O . VAL A 1 104 ? 55.106 27.878 2.068 1.00 4.18 ? 104 VAL A O 1 -ATOM 788 C CB . VAL A 1 104 ? 52.487 28.942 3.217 1.00 3.78 ? 104 VAL A CB 1 -ATOM 789 C CG1 . VAL A 1 104 ? 52.201 30.082 2.232 1.00 4.33 ? 104 VAL A CG1 1 -ATOM 790 C CG2 . VAL A 1 104 ? 51.308 28.785 4.172 1.00 3.83 ? 104 VAL A CG2 1 -ATOM 791 N N . PHE A 1 105 ? 53.754 27.818 0.263 1.00 3.97 ? 105 PHE A N 1 -ATOM 792 C CA . PHE A 1 105 ? 54.797 28.002 -0.741 1.00 4.09 ? 105 PHE A CA 1 -ATOM 793 C C . PHE A 1 105 ? 55.392 29.411 -0.588 1.00 4.50 ? 105 PHE A C 1 -ATOM 794 O O . PHE A 1 105 ? 54.687 30.344 -0.208 1.00 4.37 ? 105 PHE A O 1 -ATOM 795 C CB . PHE A 1 105 ? 54.142 27.833 -2.120 1.00 4.37 ? 105 PHE A CB 1 -ATOM 796 C CG . PHE A 1 105 ? 55.084 27.953 -3.287 1.00 4.21 ? 105 PHE A CG 1 -ATOM 797 C CD1 . PHE A 1 105 ? 55.399 29.195 -3.831 1.00 4.70 ? 105 PHE A CD1 1 -ATOM 798 C CD2 . PHE A 1 105 ? 55.609 26.810 -3.879 1.00 4.61 ? 105 PHE A CD2 1 -ATOM 799 C CE1 . PHE A 1 105 ? 56.219 29.294 -4.955 1.00 4.34 ? 105 PHE A CE1 1 -ATOM 800 C CE2 . PHE A 1 105 ? 56.430 26.897 -5.002 1.00 4.71 ? 105 PHE A CE2 1 -ATOM 801 C CZ . PHE A 1 105 ? 56.735 28.142 -5.543 1.00 4.67 ? 105 PHE A CZ 1 -ATOM 802 N N . PRO A 1 106 ? 56.703 29.578 -0.849 1.00 4.50 ? 106 PRO A N 1 -ATOM 803 C CA . PRO A 1 106 ? 57.315 30.910 -0.727 1.00 4.82 ? 106 PRO A CA 1 -ATOM 804 C C . PRO A 1 106 ? 56.920 31.736 -1.953 1.00 4.81 ? 106 PRO A C 1 -ATOM 805 O O . PRO A 1 106 ? 57.724 31.973 -2.866 1.00 5.10 ? 106 PRO A O 1 -ATOM 806 C CB . PRO A 1 106 ? 58.810 30.600 -0.664 1.00 4.72 ? 106 PRO A CB 1 -ATOM 807 C CG . PRO A 1 106 ? 58.935 29.378 -1.506 1.00 4.88 ? 106 PRO A CG 1 -ATOM 808 C CD . PRO A 1 106 ? 57.722 28.550 -1.128 1.00 4.49 ? 106 PRO A CD 1 -ATOM 809 N N . TYR A 1 107 ? 55.668 32.184 -1.956 1.00 4.83 ? 107 TYR A N 1 -ATOM 810 C CA . TYR A 1 107 ? 55.127 32.926 -3.083 1.00 4.99 ? 107 TYR A CA 1 -ATOM 811 C C . TYR A 1 107 ? 55.701 34.313 -3.327 1.00 5.29 ? 107 TYR A C 1 -ATOM 812 O O . TYR A 1 107 ? 55.814 34.731 -4.477 1.00 5.21 ? 107 TYR A O 1 -ATOM 813 C CB . TYR A 1 107 ? 53.594 32.968 -2.987 1.00 4.91 ? 107 TYR A CB 1 -ATOM 814 C CG . TYR A 1 107 ? 53.030 33.752 -1.831 1.00 4.89 ? 107 TYR A CG 1 -ATOM 815 C CD1 . TYR A 1 107 ? 52.849 35.131 -1.930 1.00 5.28 ? 107 TYR A CD1 1 -ATOM 816 C CD2 . TYR A 1 107 ? 52.646 33.115 -0.648 1.00 4.85 ? 107 TYR A CD2 1 -ATOM 817 C CE1 . TYR A 1 107 ? 52.297 35.858 -0.888 1.00 5.47 ? 107 TYR A CE1 1 -ATOM 818 C CE2 . TYR A 1 107 ? 52.092 33.837 0.409 1.00 5.45 ? 107 TYR A CE2 1 -ATOM 819 C CZ . TYR A 1 107 ? 51.918 35.210 0.278 1.00 5.62 ? 107 TYR A CZ 1 -ATOM 820 O OH . TYR A 1 107 ? 51.360 35.947 1.299 1.00 6.34 ? 107 TYR A OH 1 -ATOM 821 N N . ARG A 1 108 ? 56.072 35.033 -2.273 1.00 5.41 ? 108 ARG A N 1 -ATOM 822 C CA . ARG A 1 108 ? 56.655 36.353 -2.486 1.00 5.97 ? 108 ARG A CA 1 -ATOM 823 C C . ARG A 1 108 ? 58.017 36.195 -3.162 1.00 5.87 ? 108 ARG A C 1 -ATOM 824 O O . ARG A 1 108 ? 58.396 37.001 -4.014 1.00 5.90 ? 108 ARG A O 1 -ATOM 825 C CB . ARG A 1 108 ? 56.798 37.113 -1.164 1.00 6.84 ? 108 ARG A CB 1 -ATOM 826 C CG . ARG A 1 108 ? 55.481 37.641 -0.605 1.00 8.48 ? 108 ARG A CG 1 -ATOM 827 C CD . ARG A 1 108 ? 55.738 38.523 0.604 1.00 10.28 ? 108 ARG A CD 1 -ATOM 828 N NE . ARG A 1 108 ? 56.520 37.809 1.607 1.00 11.85 ? 108 ARG A NE 1 -ATOM 829 C CZ . ARG A 1 108 ? 56.017 36.916 2.450 1.00 12.61 ? 108 ARG A CZ 1 -ATOM 830 N NH1 . ARG A 1 108 ? 54.721 36.633 2.424 1.00 13.59 ? 108 ARG A NH1 1 -ATOM 831 N NH2 . ARG A 1 108 ? 56.814 36.281 3.297 1.00 12.72 ? 108 ARG A NH2 1 -ATOM 832 N N . ALA A 1 109 ? 58.749 35.149 -2.791 1.00 5.79 ? 109 ALA A N 1 -ATOM 833 C CA . ALA A 1 109 ? 60.051 34.899 -3.395 1.00 5.58 ? 109 ALA A CA 1 -ATOM 834 C C . ALA A 1 109 ? 59.868 34.619 -4.886 1.00 5.61 ? 109 ALA A C 1 -ATOM 835 O O . ALA A 1 109 ? 60.637 35.100 -5.717 1.00 5.50 ? 109 ALA A O 1 -ATOM 836 C CB . ALA A 1 109 ? 60.734 33.718 -2.710 1.00 6.04 ? 109 ALA A CB 1 -ATOM 837 N N . LEU A 1 110 ? 58.848 33.840 -5.226 1.00 5.74 ? 110 LEU A N 1 -ATOM 838 C CA . LEU A 1 110 ? 58.593 33.536 -6.626 1.00 5.93 ? 110 LEU A CA 1 -ATOM 839 C C . LEU A 1 110 ? 58.277 34.825 -7.376 1.00 6.07 ? 110 LEU A C 1 -ATOM 840 O O . LEU A 1 110 ? 58.788 35.060 -8.472 1.00 6.02 ? 110 LEU A O 1 -ATOM 841 C CB . LEU A 1 110 ? 57.420 32.562 -6.767 1.00 6.12 ? 110 LEU A CB 1 -ATOM 842 C CG . LEU A 1 110 ? 56.987 32.306 -8.218 1.00 6.08 ? 110 LEU A CG 1 -ATOM 843 C CD1 . LEU A 1 110 ? 58.121 31.637 -8.996 1.00 6.42 ? 110 LEU A CD1 1 -ATOM 844 C CD2 . LEU A 1 110 ? 55.739 31.434 -8.227 1.00 6.45 ? 110 LEU A CD2 1 -ATOM 845 N N . MET A 1 111 ? 57.429 35.658 -6.782 1.00 6.04 ? 111 MET A N 1 -ATOM 846 C CA . MET A 1 111 ? 57.049 36.921 -7.400 1.00 6.65 ? 111 MET A CA 1 -ATOM 847 C C . MET A 1 111 ? 58.269 37.812 -7.619 1.00 6.46 ? 111 MET A C 1 -ATOM 848 O O . MET A 1 111 ? 58.312 38.587 -8.574 1.00 6.56 ? 111 MET A O 1 -ATOM 849 C CB . MET A 1 111 ? 56.012 37.630 -6.529 1.00 7.26 ? 111 MET A CB 1 -ATOM 850 C CG . MET A 1 111 ? 54.677 36.895 -6.461 1.00 8.21 ? 111 MET A CG 1 -ATOM 851 S SD . MET A 1 111 ? 53.582 37.473 -5.140 1.00 9.35 ? 111 MET A SD 1 -ATOM 852 C CE . MET A 1 111 ? 52.927 38.975 -5.873 1.00 9.67 ? 111 MET A CE 1 -ATOM 853 N N . ALA A 1 112 ? 59.262 37.689 -6.741 1.00 6.38 ? 112 ALA A N 1 -ATOM 854 C CA . ALA A 1 112 ? 60.485 38.482 -6.849 1.00 6.25 ? 112 ALA A CA 1 -ATOM 855 C C . ALA A 1 112 ? 61.467 37.881 -7.856 1.00 6.47 ? 112 ALA A C 1 -ATOM 856 O O . ALA A 1 112 ? 62.512 38.474 -8.137 1.00 6.54 ? 112 ALA A O 1 -ATOM 857 C CB . ALA A 1 112 ? 61.149 38.612 -5.483 1.00 6.29 ? 112 ALA A CB 1 -ATOM 858 N N . GLY A 1 113 ? 61.130 36.706 -8.387 1.00 6.56 ? 113 GLY A N 1 -ATOM 859 C CA . GLY A 1 113 ? 61.979 36.063 -9.378 1.00 7.00 ? 113 GLY A CA 1 -ATOM 860 C C . GLY A 1 113 ? 62.695 34.785 -8.977 1.00 7.16 ? 113 GLY A C 1 -ATOM 861 O O . GLY A 1 113 ? 63.451 34.227 -9.772 1.00 7.73 ? 113 GLY A O 1 -ATOM 862 N N . ASN A 1 114 ? 62.455 34.303 -7.763 1.00 6.92 ? 114 ASN A N 1 -ATOM 863 C CA . ASN A 1 114 ? 63.125 33.093 -7.294 1.00 7.08 ? 114 ASN A CA 1 -ATOM 864 C C . ASN A 1 114 ? 62.249 31.852 -7.435 1.00 7.34 ? 114 ASN A C 1 -ATOM 865 O O . ASN A 1 114 ? 61.385 31.597 -6.594 1.00 7.46 ? 114 ASN A O 1 -ATOM 866 C CB . ASN A 1 114 ? 63.529 33.259 -5.828 1.00 6.86 ? 114 ASN A CB 1 -ATOM 867 C CG . ASN A 1 114 ? 64.513 32.203 -5.370 1.00 6.97 ? 114 ASN A CG 1 -ATOM 868 O OD1 . ASN A 1 114 ? 64.603 31.127 -5.959 1.00 7.03 ? 114 ASN A OD1 1 -ATOM 869 N ND2 . ASN A 1 114 ? 65.247 32.502 -4.303 1.00 6.97 ? 114 ASN A ND2 1 -ATOM 870 N N . GLU A 1 115 ? 62.470 31.083 -8.495 1.00 7.69 ? 115 GLU A N 1 -ATOM 871 C CA . GLU A 1 115 ? 61.694 29.866 -8.715 1.00 8.25 ? 115 GLU A CA 1 -ATOM 872 C C . GLU A 1 115 ? 62.316 28.682 -7.981 1.00 8.02 ? 115 GLU A C 1 -ATOM 873 O O . GLU A 1 115 ? 61.630 27.716 -7.646 1.00 8.25 ? 115 GLU A O 1 -ATOM 874 C CB . GLU A 1 115 ? 61.623 29.530 -10.206 1.00 8.96 ? 115 GLU A CB 1 -ATOM 875 C CG . GLU A 1 115 ? 61.070 30.641 -11.082 1.00 10.62 ? 115 GLU A CG 1 -ATOM 876 C CD . GLU A 1 115 ? 60.777 30.173 -12.496 1.00 11.45 ? 115 GLU A CD 1 -ATOM 877 O OE1 . GLU A 1 115 ? 61.269 29.091 -12.880 1.00 12.44 ? 115 GLU A OE1 1 -ATOM 878 O OE2 . GLU A 1 115 ? 60.061 30.893 -13.226 1.00 12.56 ? 115 GLU A OE2 1 -ATOM 879 N N . GLN A 1 116 ? 63.615 28.768 -7.719 1.00 7.72 ? 116 GLN A N 1 -ATOM 880 C CA . GLN A 1 116 ? 64.331 27.682 -7.065 1.00 7.48 ? 116 GLN A CA 1 -ATOM 881 C C . GLN A 1 116 ? 63.988 27.440 -5.603 1.00 7.11 ? 116 GLN A C 1 -ATOM 882 O O . GLN A 1 116 ? 63.856 26.290 -5.186 1.00 6.97 ? 116 GLN A O 1 -ATOM 883 C CB . GLN A 1 116 ? 65.841 27.901 -7.198 1.00 8.05 ? 116 GLN A CB 1 -ATOM 884 C CG . GLN A 1 116 ? 66.681 26.686 -6.823 1.00 9.20 ? 116 GLN A CG 1 -ATOM 885 C CD . GLN A 1 116 ? 66.382 25.486 -7.705 1.00 10.00 ? 116 GLN A CD 1 -ATOM 886 O OE1 . GLN A 1 116 ? 66.328 25.603 -8.929 1.00 10.90 ? 116 GLN A OE1 1 -ATOM 887 N NE2 . GLN A 1 116 ? 66.194 24.326 -7.088 1.00 10.60 ? 116 GLN A NE2 1 -ATOM 888 N N . VAL A 1 117 ? 63.843 28.504 -4.820 1.00 6.59 ? 117 VAL A N 1 -ATOM 889 C CA . VAL A 1 117 ? 63.548 28.332 -3.403 1.00 6.66 ? 117 VAL A CA 1 -ATOM 890 C C . VAL A 1 117 ? 62.227 27.599 -3.173 1.00 6.35 ? 117 VAL A C 1 -ATOM 891 O O . VAL A 1 117 ? 62.122 26.784 -2.258 1.00 6.28 ? 117 VAL A O 1 -ATOM 892 C CB . VAL A 1 117 ? 63.563 29.697 -2.643 1.00 6.68 ? 117 VAL A CB 1 -ATOM 893 C CG1 . VAL A 1 117 ? 62.383 30.570 -3.059 1.00 7.13 ? 117 VAL A CG1 1 -ATOM 894 C CG2 . VAL A 1 117 ? 63.556 29.449 -1.139 1.00 7.08 ? 117 VAL A CG2 1 -ATOM 895 N N . GLY A 1 118 ? 61.229 27.872 -4.009 1.00 6.08 ? 118 GLY A N 1 -ATOM 896 C CA . GLY A 1 118 ? 59.947 27.200 -3.869 1.00 5.76 ? 118 GLY A CA 1 -ATOM 897 C C . GLY A 1 118 ? 60.096 25.709 -4.111 1.00 5.31 ? 118 GLY A C 1 -ATOM 898 O O . GLY A 1 118 ? 59.502 24.883 -3.412 1.00 5.76 ? 118 GLY A O 1 -ATOM 899 N N . PHE A 1 119 ? 60.892 25.356 -5.114 1.00 5.29 ? 119 PHE A N 1 -ATOM 900 C CA . PHE A 1 119 ? 61.121 23.956 -5.423 1.00 5.12 ? 119 PHE A CA 1 -ATOM 901 C C . PHE A 1 119 ? 61.849 23.295 -4.256 1.00 5.29 ? 119 PHE A C 1 -ATOM 902 O O . PHE A 1 119 ? 61.442 22.237 -3.779 1.00 4.99 ? 119 PHE A O 1 -ATOM 903 C CB . PHE A 1 119 ? 61.946 23.825 -6.708 1.00 5.15 ? 119 PHE A CB 1 -ATOM 904 C CG . PHE A 1 119 ? 62.264 22.404 -7.080 1.00 5.27 ? 119 PHE A CG 1 -ATOM 905 C CD1 . PHE A 1 119 ? 63.366 21.755 -6.531 1.00 5.75 ? 119 PHE A CD1 1 -ATOM 906 C CD2 . PHE A 1 119 ? 61.448 21.708 -7.963 1.00 5.43 ? 119 PHE A CD2 1 -ATOM 907 C CE1 . PHE A 1 119 ? 63.650 20.432 -6.857 1.00 5.91 ? 119 PHE A CE1 1 -ATOM 908 C CE2 . PHE A 1 119 ? 61.721 20.384 -8.297 1.00 5.56 ? 119 PHE A CE2 1 -ATOM 909 C CZ . PHE A 1 119 ? 62.825 19.744 -7.743 1.00 5.82 ? 119 PHE A CZ 1 -ATOM 910 N N . ASP A 1 120 ? 62.910 23.938 -3.778 1.00 5.53 ? 120 ASP A N 1 -ATOM 911 C CA . ASP A 1 120 ? 63.687 23.388 -2.672 1.00 5.89 ? 120 ASP A CA 1 -ATOM 912 C C . ASP A 1 120 ? 62.896 23.264 -1.370 1.00 5.72 ? 120 ASP A C 1 -ATOM 913 O O . ASP A 1 120 ? 63.047 22.287 -0.638 1.00 5.71 ? 120 ASP A O 1 -ATOM 914 C CB . ASP A 1 120 ? 64.933 24.236 -2.409 1.00 6.64 ? 120 ASP A CB 1 -ATOM 915 C CG . ASP A 1 120 ? 65.920 24.216 -3.560 1.00 7.58 ? 120 ASP A CG 1 -ATOM 916 O OD1 . ASP A 1 120 ? 65.853 23.305 -4.412 1.00 8.27 ? 120 ASP A OD1 1 -ATOM 917 O OD2 . ASP A 1 120 ? 66.783 25.118 -3.595 1.00 8.70 ? 120 ASP A OD2 1 -ATOM 918 N N . LEU A 1 121 ? 62.057 24.251 -1.076 1.00 5.49 ? 121 LEU A N 1 -ATOM 919 C CA . LEU A 1 121 ? 61.274 24.227 0.155 1.00 5.42 ? 121 LEU A CA 1 -ATOM 920 C C . LEU A 1 121 ? 60.251 23.100 0.129 1.00 5.39 ? 121 LEU A C 1 -ATOM 921 O O . LEU A 1 121 ? 60.147 22.326 1.080 1.00 5.37 ? 121 LEU A O 1 -ATOM 922 C CB . LEU A 1 121 ? 60.581 25.579 0.363 1.00 5.44 ? 121 LEU A CB 1 -ATOM 923 C CG . LEU A 1 121 ? 59.962 25.844 1.739 1.00 5.40 ? 121 LEU A CG 1 -ATOM 924 C CD1 . LEU A 1 121 ? 59.977 27.339 2.029 1.00 5.70 ? 121 LEU A CD1 1 -ATOM 925 C CD2 . LEU A 1 121 ? 58.547 25.292 1.794 1.00 5.63 ? 121 LEU A CD2 1 -ATOM 926 N N . VAL A 1 122 ? 59.497 22.999 -0.960 1.00 5.42 ? 122 VAL A N 1 -ATOM 927 C CA . VAL A 1 122 ? 58.503 21.944 -1.073 1.00 5.34 ? 122 VAL A CA 1 -ATOM 928 C C . VAL A 1 122 ? 59.178 20.576 -1.059 1.00 5.46 ? 122 VAL A C 1 -ATOM 929 O O . VAL A 1 122 ? 58.708 19.656 -0.396 1.00 5.13 ? 122 VAL A O 1 -ATOM 930 C CB . VAL A 1 122 ? 57.671 22.095 -2.367 1.00 5.26 ? 122 VAL A CB 1 -ATOM 931 C CG1 . VAL A 1 122 ? 56.777 20.877 -2.562 1.00 5.44 ? 122 VAL A CG1 1 -ATOM 932 C CG2 . VAL A 1 122 ? 56.826 23.350 -2.288 1.00 5.61 ? 122 VAL A CG2 1 -ATOM 933 N N . LYS A 1 123 ? 60.286 20.440 -1.780 1.00 5.72 ? 123 LYS A N 1 -ATOM 934 C CA . LYS A 1 123 ? 60.987 19.161 -1.821 1.00 6.12 ? 123 LYS A CA 1 -ATOM 935 C C . LYS A 1 123 ? 61.456 18.728 -0.434 1.00 5.93 ? 123 LYS A C 1 -ATOM 936 O O . LYS A 1 123 ? 61.302 17.566 -0.057 1.00 5.63 ? 123 LYS A O 1 -ATOM 937 C CB . LYS A 1 123 ? 62.176 19.238 -2.781 1.00 7.07 ? 123 LYS A CB 1 -ATOM 938 C CG . LYS A 1 123 ? 62.902 17.910 -2.960 1.00 8.58 ? 123 LYS A CG 1 -ATOM 939 C CD . LYS A 1 123 ? 64.002 18.007 -4.009 1.00 10.12 ? 123 LYS A CD 1 -ATOM 940 C CE . LYS A 1 123 ? 64.704 16.668 -4.199 1.00 11.24 ? 123 LYS A CE 1 -ATOM 941 N NZ . LYS A 1 123 ? 65.772 16.741 -5.238 1.00 12.57 ? 123 LYS A NZ 1 -ATOM 942 N N . ALA A 1 124 ? 62.019 19.658 0.333 1.00 5.90 ? 124 ALA A N 1 -ATOM 943 C CA . ALA A 1 124 ? 62.492 19.332 1.677 1.00 5.74 ? 124 ALA A CA 1 -ATOM 944 C C . ALA A 1 124 ? 61.349 18.874 2.582 1.00 5.93 ? 124 ALA A C 1 -ATOM 945 O O . ALA A 1 124 ? 61.478 17.890 3.308 1.00 5.72 ? 124 ALA A O 1 -ATOM 946 C CB . ALA A 1 124 ? 63.194 20.535 2.288 1.00 5.88 ? 124 ALA A CB 1 -ATOM 947 N N . CYS A 1 125 ? 60.227 19.584 2.534 1.00 6.08 ? 125 CYS A N 1 -ATOM 948 C CA . CYS A 1 125 ? 59.083 19.235 3.366 1.00 7.05 ? 125 CYS A CA 1 -ATOM 949 C C . CYS A 1 125 ? 58.470 17.918 2.915 1.00 6.17 ? 125 CYS A C 1 -ATOM 950 O O . CYS A 1 125 ? 58.048 17.111 3.746 1.00 5.62 ? 125 CYS A O 1 -ATOM 951 C CB . CYS A 1 125 ? 58.019 20.322 3.297 1.00 8.46 ? 125 CYS A CB 1 -ATOM 952 S SG . CYS A 1 125 ? 57.063 20.236 1.800 1.00 15.85 ? 125 CYS A SG 1 -ATOM 953 N N . LYS A 1 126 ? 58.404 17.707 1.602 1.00 5.77 ? 126 LYS A N 1 -ATOM 954 C CA . LYS A 1 126 ? 57.849 16.466 1.073 1.00 5.84 ? 126 LYS A CA 1 -ATOM 955 C C . LYS A 1 126 ? 58.697 15.288 1.540 1.00 6.12 ? 126 LYS A C 1 -ATOM 956 O O . LYS A 1 126 ? 58.165 14.248 1.908 1.00 6.05 ? 126 LYS A O 1 -ATOM 957 C CB . LYS A 1 126 ? 57.800 16.506 -0.459 1.00 5.79 ? 126 LYS A CB 1 -ATOM 958 C CG . LYS A 1 126 ? 57.422 15.176 -1.120 1.00 5.83 ? 126 LYS A CG 1 -ATOM 959 C CD . LYS A 1 126 ? 56.039 14.679 -0.705 1.00 6.02 ? 126 LYS A CD 1 -ATOM 960 C CE . LYS A 1 126 ? 55.714 13.318 -1.339 1.00 6.25 ? 126 LYS A CE 1 -ATOM 961 N NZ . LYS A 1 126 ? 55.611 13.393 -2.826 1.00 7.02 ? 126 LYS A NZ 1 -ATOM 962 N N . GLU A 1 127 ? 60.017 15.453 1.533 1.00 6.22 ? 127 GLU A N 1 -ATOM 963 C CA . GLU A 1 127 ? 60.895 14.374 1.967 1.00 6.55 ? 127 GLU A CA 1 -ATOM 964 C C . GLU A 1 127 ? 60.577 13.956 3.401 1.00 6.14 ? 127 GLU A C 1 -ATOM 965 O O . GLU A 1 127 ? 60.490 12.770 3.707 1.00 5.93 ? 127 GLU A O 1 -ATOM 966 C CB . GLU A 1 127 ? 62.365 14.793 1.868 1.00 7.46 ? 127 GLU A CB 1 -ATOM 967 C CG . GLU A 1 127 ? 63.325 13.725 2.382 1.00 8.64 ? 127 GLU A CG 1 -ATOM 968 C CD . GLU A 1 127 ? 64.788 14.116 2.260 1.00 9.51 ? 127 GLU A CD 1 -ATOM 969 O OE1 . GLU A 1 127 ? 65.138 15.247 2.657 1.00 10.26 ? 127 GLU A OE1 1 -ATOM 970 O OE2 . GLU A 1 127 ? 65.589 13.283 1.776 1.00 9.95 ? 127 GLU A OE2 1 -ATOM 971 N N . ALA A 1 128 ? 60.392 14.935 4.279 1.00 5.75 ? 128 ALA A N 1 -ATOM 972 C CA . ALA A 1 128 ? 60.086 14.649 5.674 1.00 5.48 ? 128 ALA A CA 1 -ATOM 973 C C . ALA A 1 128 ? 58.722 13.985 5.813 1.00 5.44 ? 128 ALA A C 1 -ATOM 974 O O . ALA A 1 128 ? 58.566 13.007 6.541 1.00 5.24 ? 128 ALA A O 1 -ATOM 975 C CB . ALA A 1 128 ? 60.129 15.933 6.493 1.00 5.55 ? 128 ALA A CB 1 -ATOM 976 N N . CYS A 1 129 ? 57.728 14.515 5.111 1.00 5.46 ? 129 CYS A N 1 -ATOM 977 C CA . CYS A 1 129 ? 56.389 13.948 5.191 1.00 5.41 ? 129 CYS A CA 1 -ATOM 978 C C . CYS A 1 129 ? 56.325 12.528 4.645 1.00 5.43 ? 129 CYS A C 1 -ATOM 979 O O . CYS A 1 129 ? 55.777 11.636 5.291 1.00 5.23 ? 129 CYS A O 1 -ATOM 980 C CB . CYS A 1 129 ? 55.394 14.841 4.448 1.00 5.31 ? 129 CYS A CB 1 -ATOM 981 S SG . CYS A 1 129 ? 55.070 16.421 5.280 1.00 5.90 ? 129 CYS A SG 1 -ATOM 982 N N . ALA A 1 130 ? 56.885 12.315 3.460 1.00 5.44 ? 130 ALA A N 1 -ATOM 983 C CA . ALA A 1 130 ? 56.877 10.991 2.852 1.00 5.63 ? 130 ALA A CA 1 -ATOM 984 C C . ALA A 1 130 ? 57.535 9.966 3.771 1.00 6.02 ? 130 ALA A C 1 -ATOM 985 O O . ALA A 1 130 ? 57.069 8.834 3.876 1.00 6.03 ? 130 ALA A O 1 -ATOM 986 C CB . ALA A 1 130 ? 57.597 11.029 1.512 1.00 5.94 ? 130 ALA A CB 1 -ATOM 987 N N . ALA A 1 131 ? 58.613 10.364 4.437 1.00 6.03 ? 131 ALA A N 1 -ATOM 988 C CA . ALA A 1 131 ? 59.324 9.460 5.338 1.00 6.28 ? 131 ALA A CA 1 -ATOM 989 C C . ALA A 1 131 ? 58.474 9.047 6.537 1.00 6.47 ? 131 ALA A C 1 -ATOM 990 O O . ALA A 1 131 ? 58.782 8.067 7.211 1.00 6.77 ? 131 ALA A O 1 -ATOM 991 C CB . ALA A 1 131 ? 60.615 10.110 5.810 1.00 6.54 ? 131 ALA A CB 1 -ATOM 992 N N . ALA A 1 132 ? 57.405 9.795 6.800 1.00 6.29 ? 132 ALA A N 1 -ATOM 993 C CA . ALA A 1 132 ? 56.518 9.501 7.923 1.00 6.47 ? 132 ALA A CA 1 -ATOM 994 C C . ALA A 1 132 ? 55.118 9.106 7.450 1.00 6.50 ? 132 ALA A C 1 -ATOM 995 O O . ALA A 1 132 ? 54.190 9.023 8.252 1.00 6.41 ? 132 ALA A O 1 -ATOM 996 C CB . ALA A 1 132 ? 56.428 10.718 8.845 1.00 6.32 ? 132 ALA A CB 1 -ATOM 997 N N . ASN A 1 133 ? 54.974 8.860 6.149 1.00 6.83 ? 133 ASN A N 1 -ATOM 998 C CA . ASN A 1 133 ? 53.685 8.489 5.564 1.00 7.18 ? 133 ASN A CA 1 -ATOM 999 C C . ASN A 1 133 ? 52.631 9.558 5.826 1.00 6.92 ? 133 ASN A C 1 -ATOM 1000 O O . ASN A 1 133 ? 51.481 9.267 6.159 1.00 7.33 ? 133 ASN A O 1 -ATOM 1001 C CB . ASN A 1 133 ? 53.225 7.136 6.106 1.00 8.13 ? 133 ASN A CB 1 -ATOM 1002 C CG . ASN A 1 133 ? 54.168 6.019 5.721 1.00 9.22 ? 133 ASN A CG 1 -ATOM 1003 O OD1 . ASN A 1 133 ? 54.456 5.816 4.541 1.00 10.52 ? 133 ASN A OD1 1 -ATOM 1004 N ND2 . ASN A 1 133 ? 54.660 5.290 6.713 1.00 10.27 ? 133 ASN A ND2 1 -ATOM 1005 N N . VAL A 1 134 ? 53.051 10.805 5.647 1.00 6.21 ? 134 VAL A N 1 -ATOM 1006 C CA . VAL A 1 134 ? 52.216 11.984 5.835 1.00 5.83 ? 134 VAL A CA 1 -ATOM 1007 C C . VAL A 1 134 ? 52.102 12.656 4.468 1.00 5.58 ? 134 VAL A C 1 -ATOM 1008 O O . VAL A 1 134 ? 53.094 12.773 3.758 1.00 5.42 ? 134 VAL A O 1 -ATOM 1009 C CB . VAL A 1 134 ? 52.888 12.943 6.855 1.00 5.55 ? 134 VAL A CB 1 -ATOM 1010 C CG1 . VAL A 1 134 ? 52.200 14.297 6.858 1.00 5.38 ? 134 VAL A CG1 1 -ATOM 1011 C CG2 . VAL A 1 134 ? 52.838 12.322 8.245 1.00 5.41 ? 134 VAL A CG2 1 -ATOM 1012 N N . LEU A 1 135 ? 50.894 13.062 4.082 1.00 5.64 ? 135 LEU A N 1 -ATOM 1013 C CA . LEU A 1 135 ? 50.705 13.727 2.795 1.00 5.60 ? 135 LEU A CA 1 -ATOM 1014 C C . LEU A 1 135 ? 51.035 15.205 2.926 1.00 5.14 ? 135 LEU A C 1 -ATOM 1015 O O . LEU A 1 135 ? 50.834 15.805 3.983 1.00 5.26 ? 135 LEU A O 1 -ATOM 1016 C CB . LEU A 1 135 ? 49.261 13.579 2.307 1.00 6.27 ? 135 LEU A CB 1 -ATOM 1017 C CG . LEU A 1 135 ? 48.754 12.180 1.954 1.00 6.97 ? 135 LEU A CG 1 -ATOM 1018 C CD1 . LEU A 1 135 ? 47.306 12.278 1.497 1.00 7.47 ? 135 LEU A CD1 1 -ATOM 1019 C CD2 . LEU A 1 135 ? 49.622 11.566 0.866 1.00 7.57 ? 135 LEU A CD2 1 -ATOM 1020 N N . LEU A 1 136 ? 51.542 15.791 1.848 1.00 4.87 ? 136 LEU A N 1 -ATOM 1021 C CA . LEU A 1 136 ? 51.895 17.199 1.846 1.00 4.50 ? 136 LEU A CA 1 -ATOM 1022 C C . LEU A 1 136 ? 51.070 17.998 0.849 1.00 4.37 ? 136 LEU A C 1 -ATOM 1023 O O . LEU A 1 136 ? 51.066 17.695 -0.345 1.00 4.45 ? 136 LEU A O 1 -ATOM 1024 C CB . LEU A 1 136 ? 53.372 17.377 1.497 1.00 4.75 ? 136 LEU A CB 1 -ATOM 1025 C CG . LEU A 1 136 ? 53.798 18.843 1.424 1.00 4.77 ? 136 LEU A CG 1 -ATOM 1026 C CD1 . LEU A 1 136 ? 54.168 19.352 2.817 1.00 5.22 ? 136 LEU A CD1 1 -ATOM 1027 C CD2 . LEU A 1 136 ? 54.964 18.964 0.463 1.00 5.49 ? 136 LEU A CD2 1 -ATOM 1028 N N . LYS A 1 137 ? 50.356 19.005 1.343 1.00 4.05 ? 137 LYS A N 1 -ATOM 1029 C CA . LYS A 1 137 ? 49.588 19.882 0.470 1.00 3.94 ? 137 LYS A CA 1 -ATOM 1030 C C . LYS A 1 137 ? 50.405 21.167 0.416 1.00 3.69 ? 137 LYS A C 1 -ATOM 1031 O O . LYS A 1 137 ? 51.074 21.528 1.391 1.00 3.71 ? 137 LYS A O 1 -ATOM 1032 C CB . LYS A 1 137 ? 48.199 20.196 1.045 1.00 3.77 ? 137 LYS A CB 1 -ATOM 1033 C CG . LYS A 1 137 ? 47.357 18.980 1.418 1.00 3.83 ? 137 LYS A CG 1 -ATOM 1034 C CD . LYS A 1 137 ? 45.879 19.359 1.483 1.00 4.41 ? 137 LYS A CD 1 -ATOM 1035 C CE . LYS A 1 137 ? 45.060 18.338 2.259 1.00 4.33 ? 137 LYS A CE 1 -ATOM 1036 N NZ . LYS A 1 137 ? 45.162 18.530 3.740 1.00 5.02 ? 137 LYS A NZ 1 -ATOM 1037 N N . VAL A 1 138 ? 50.369 21.853 -0.719 1.00 3.71 ? 138 VAL A N 1 -ATOM 1038 C CA . VAL A 1 138 ? 51.116 23.097 -0.857 1.00 4.02 ? 138 VAL A CA 1 -ATOM 1039 C C . VAL A 1 138 ? 50.191 24.266 -1.181 1.00 4.08 ? 138 VAL A C 1 -ATOM 1040 O O . VAL A 1 138 ? 49.494 24.260 -2.196 1.00 4.42 ? 138 VAL A O 1 -ATOM 1041 C CB . VAL A 1 138 ? 52.201 22.980 -1.951 1.00 3.93 ? 138 VAL A CB 1 -ATOM 1042 C CG1 . VAL A 1 138 ? 52.934 24.313 -2.108 1.00 4.02 ? 138 VAL A CG1 1 -ATOM 1043 C CG2 . VAL A 1 138 ? 53.187 21.877 -1.579 1.00 4.48 ? 138 VAL A CG2 1 -ATOM 1044 N N . ILE A 1 139 ? 50.189 25.264 -0.302 1.00 4.24 ? 139 ILE A N 1 -ATOM 1045 C CA . ILE A 1 139 ? 49.366 26.459 -0.463 1.00 4.34 ? 139 ILE A CA 1 -ATOM 1046 C C . ILE A 1 139 ? 50.155 27.486 -1.270 1.00 4.42 ? 139 ILE A C 1 -ATOM 1047 O O . ILE A 1 139 ? 51.215 27.938 -0.834 1.00 4.74 ? 139 ILE A O 1 -ATOM 1048 C CB . ILE A 1 139 ? 49.035 27.082 0.913 1.00 4.50 ? 139 ILE A CB 1 -ATOM 1049 C CG1 . ILE A 1 139 ? 48.360 26.046 1.816 1.00 4.66 ? 139 ILE A CG1 1 -ATOM 1050 C CG2 . ILE A 1 139 ? 48.147 28.306 0.732 1.00 4.76 ? 139 ILE A CG2 1 -ATOM 1051 C CD1 . ILE A 1 139 ? 48.403 26.412 3.298 1.00 5.04 ? 139 ILE A CD1 1 -ATOM 1052 N N . ILE A 1 140 ? 49.650 27.871 -2.439 1.00 4.49 ? 140 ILE A N 1 -ATOM 1053 C CA . ILE A 1 140 ? 50.378 28.841 -3.249 1.00 4.63 ? 140 ILE A CA 1 -ATOM 1054 C C . ILE A 1 140 ? 49.916 30.294 -3.090 1.00 4.75 ? 140 ILE A C 1 -ATOM 1055 O O . ILE A 1 140 ? 50.588 31.210 -3.557 1.00 4.86 ? 140 ILE A O 1 -ATOM 1056 C CB . ILE A 1 140 ? 50.372 28.449 -4.754 1.00 4.57 ? 140 ILE A CB 1 -ATOM 1057 C CG1 . ILE A 1 140 ? 48.949 28.419 -5.309 1.00 4.50 ? 140 ILE A CG1 1 -ATOM 1058 C CG2 . ILE A 1 140 ? 51.025 27.083 -4.932 1.00 4.75 ? 140 ILE A CG2 1 -ATOM 1059 C CD1 . ILE A 1 140 ? 48.911 28.288 -6.827 1.00 5.03 ? 140 ILE A CD1 1 -ATOM 1060 N N . GLU A 1 141 ? 48.789 30.492 -2.406 1.00 4.55 ? 141 GLU A N 1 -ATOM 1061 C CA . GLU A 1 141 ? 48.207 31.818 -2.155 1.00 4.60 ? 141 GLU A CA 1 -ATOM 1062 C C . GLU A 1 141 ? 47.871 32.560 -3.448 1.00 4.70 ? 141 GLU A C 1 -ATOM 1063 O O . GLU A 1 141 ? 48.443 33.611 -3.756 1.00 4.67 ? 141 GLU A O 1 -ATOM 1064 C CB . GLU A 1 141 ? 49.143 32.669 -1.285 1.00 4.53 ? 141 GLU A CB 1 -ATOM 1065 C CG . GLU A 1 141 ? 48.433 33.792 -0.515 1.00 4.51 ? 141 GLU A CG 1 -ATOM 1066 C CD . GLU A 1 141 ? 47.554 33.277 0.620 1.00 4.45 ? 141 GLU A CD 1 -ATOM 1067 O OE1 . GLU A 1 141 ? 46.530 32.607 0.349 1.00 4.94 ? 141 GLU A OE1 1 -ATOM 1068 O OE2 . GLU A 1 141 ? 47.889 33.549 1.794 1.00 4.63 ? 141 GLU A OE2 1 -ATOM 1069 N N . THR A 1 142 ? 46.922 31.997 -4.192 1.00 5.04 ? 142 THR A N 1 -ATOM 1070 C CA . THR A 1 142 ? 46.474 32.552 -5.463 1.00 5.44 ? 142 THR A CA 1 -ATOM 1071 C C . THR A 1 142 ? 46.042 34.016 -5.383 1.00 5.65 ? 142 THR A C 1 -ATOM 1072 O O . THR A 1 142 ? 46.237 34.774 -6.334 1.00 5.79 ? 142 THR A O 1 -ATOM 1073 C CB . THR A 1 142 ? 45.299 31.727 -6.024 1.00 5.54 ? 142 THR A CB 1 -ATOM 1074 O OG1 . THR A 1 142 ? 44.269 31.629 -5.034 1.00 5.88 ? 142 THR A OG1 1 -ATOM 1075 C CG2 . THR A 1 142 ? 45.764 30.330 -6.402 1.00 5.62 ? 142 THR A CG2 1 -ATOM 1076 N N . GLY A 1 143 ? 45.460 34.404 -4.250 1.00 6.02 ? 143 GLY A N 1 -ATOM 1077 C CA . GLY A 1 143 ? 44.998 35.770 -4.067 1.00 6.87 ? 143 GLY A CA 1 -ATOM 1078 C C . GLY A 1 143 ? 46.103 36.802 -4.116 1.00 7.36 ? 143 GLY A C 1 -ATOM 1079 O O . GLY A 1 143 ? 45.872 37.947 -4.508 1.00 8.18 ? 143 GLY A O 1 -ATOM 1080 N N . GLU A 1 144 ? 47.306 36.408 -3.711 1.00 7.66 ? 144 GLU A N 1 -ATOM 1081 C CA . GLU A 1 144 ? 48.446 37.314 -3.725 1.00 8.02 ? 144 GLU A CA 1 -ATOM 1082 C C . GLU A 1 144 ? 49.239 37.190 -5.023 1.00 7.96 ? 144 GLU A C 1 -ATOM 1083 O O . GLU A 1 144 ? 49.779 38.184 -5.517 1.00 7.80 ? 144 GLU A O 1 -ATOM 1084 C CB . GLU A 1 144 ? 49.347 37.048 -2.517 1.00 8.51 ? 144 GLU A CB 1 -ATOM 1085 C CG . GLU A 1 144 ? 48.704 37.425 -1.190 1.00 9.30 ? 144 GLU A CG 1 -ATOM 1086 C CD . GLU A 1 144 ? 48.280 38.882 -1.137 1.00 9.98 ? 144 GLU A CD 1 -ATOM 1087 O OE1 . GLU A 1 144 ? 49.148 39.762 -1.313 1.00 10.87 ? 144 GLU A OE1 1 -ATOM 1088 O OE2 . GLU A 1 144 ? 47.080 39.151 -0.919 1.00 10.71 ? 144 GLU A OE2 1 -ATOM 1089 N N . LEU A 1 145 ? 49.314 35.981 -5.576 1.00 7.92 ? 145 LEU A N 1 -ATOM 1090 C CA . LEU A 1 145 ? 50.025 35.779 -6.838 1.00 8.15 ? 145 LEU A CA 1 -ATOM 1091 C C . LEU A 1 145 ? 49.295 36.596 -7.898 1.00 8.57 ? 145 LEU A C 1 -ATOM 1092 O O . LEU A 1 145 ? 49.919 37.216 -8.757 1.00 8.43 ? 145 LEU A O 1 -ATOM 1093 C CB . LEU A 1 145 ? 50.041 34.297 -7.224 1.00 7.93 ? 145 LEU A CB 1 -ATOM 1094 C CG . LEU A 1 145 ? 50.947 33.405 -6.369 1.00 7.52 ? 145 LEU A CG 1 -ATOM 1095 C CD1 . LEU A 1 145 ? 50.779 31.950 -6.793 1.00 7.71 ? 145 LEU A CD1 1 -ATOM 1096 C CD2 . LEU A 1 145 ? 52.399 33.846 -6.516 1.00 7.86 ? 145 LEU A CD2 1 -ATOM 1097 N N . LYS A 1 146 ? 47.966 36.564 -7.831 1.00 9.05 ? 146 LYS A N 1 -ATOM 1098 C CA . LYS A 1 146 ? 47.102 37.333 -8.723 1.00 9.98 ? 146 LYS A CA 1 -ATOM 1099 C C . LYS A 1 146 ? 47.087 36.963 -10.205 1.00 9.98 ? 146 LYS A C 1 -ATOM 1100 O O . LYS A 1 146 ? 46.028 36.665 -10.763 1.00 10.01 ? 146 LYS A O 1 -ATOM 1101 C CB . LYS A 1 146 ? 47.449 38.817 -8.585 1.00 10.80 ? 146 LYS A CB 1 -ATOM 1102 C CG . LYS A 1 146 ? 46.396 39.774 -9.111 1.00 12.28 ? 146 LYS A CG 1 -ATOM 1103 C CD . LYS A 1 146 ? 46.848 41.222 -8.957 1.00 13.41 ? 146 LYS A CD 1 -ATOM 1104 C CE . LYS A 1 146 ? 47.424 41.501 -7.569 1.00 14.13 ? 146 LYS A CE 1 -ATOM 1105 N NZ . LYS A 1 146 ? 46.483 41.166 -6.462 1.00 14.90 ? 146 LYS A NZ 1 -ATOM 1106 N N . ASP A 1 147 ? 48.252 36.998 -10.843 1.00 10.21 ? 147 ASP A N 1 -ATOM 1107 C CA . ASP A 1 147 ? 48.345 36.702 -12.269 1.00 10.46 ? 147 ASP A CA 1 -ATOM 1108 C C . ASP A 1 147 ? 48.282 35.219 -12.602 1.00 10.08 ? 147 ASP A C 1 -ATOM 1109 O O . ASP A 1 147 ? 48.887 34.390 -11.921 1.00 9.87 ? 147 ASP A O 1 -ATOM 1110 C CB . ASP A 1 147 ? 49.629 37.299 -12.845 1.00 11.86 ? 147 ASP A CB 1 -ATOM 1111 C CG . ASP A 1 147 ? 49.767 38.778 -12.545 1.00 13.15 ? 147 ASP A CG 1 -ATOM 1112 O OD1 . ASP A 1 147 ? 48.786 39.525 -12.749 1.00 14.33 ? 147 ASP A OD1 1 -ATOM 1113 O OD2 . ASP A 1 147 ? 50.860 39.194 -12.106 1.00 14.65 ? 147 ASP A OD2 1 -ATOM 1114 N N . GLU A 1 148 ? 47.554 34.897 -13.666 1.00 9.68 ? 148 GLU A N 1 -ATOM 1115 C CA . GLU A 1 148 ? 47.395 33.518 -14.111 1.00 9.56 ? 148 GLU A CA 1 -ATOM 1116 C C . GLU A 1 148 ? 48.733 32.820 -14.327 1.00 9.01 ? 148 GLU A C 1 -ATOM 1117 O O . GLU A 1 148 ? 48.905 31.667 -13.935 1.00 8.83 ? 148 GLU A O 1 -ATOM 1118 C CB . GLU A 1 148 ? 46.585 33.469 -15.409 1.00 10.28 ? 148 GLU A CB 1 -ATOM 1119 C CG . GLU A 1 148 ? 46.252 32.055 -15.866 1.00 11.64 ? 148 GLU A CG 1 -ATOM 1120 C CD . GLU A 1 148 ? 45.444 32.024 -17.149 1.00 12.58 ? 148 GLU A CD 1 -ATOM 1121 O OE1 . GLU A 1 148 ? 44.593 32.919 -17.335 1.00 13.61 ? 148 GLU A OE1 1 -ATOM 1122 O OE2 . GLU A 1 148 ? 45.651 31.097 -17.962 1.00 13.64 ? 148 GLU A OE2 1 -ATOM 1123 N N . ALA A 1 149 ? 49.678 33.517 -14.950 1.00 8.45 ? 149 ALA A N 1 -ATOM 1124 C CA . ALA A 1 149 ? 50.992 32.938 -15.216 1.00 7.89 ? 149 ALA A CA 1 -ATOM 1125 C C . ALA A 1 149 ? 51.714 32.539 -13.931 1.00 7.53 ? 149 ALA A C 1 -ATOM 1126 O O . ALA A 1 149 ? 52.351 31.487 -13.874 1.00 7.32 ? 149 ALA A O 1 -ATOM 1127 C CB . ALA A 1 149 ? 51.845 33.922 -16.013 1.00 8.37 ? 149 ALA A CB 1 -ATOM 1128 N N . LEU A 1 150 ? 51.619 33.378 -12.905 1.00 7.18 ? 150 LEU A N 1 -ATOM 1129 C CA . LEU A 1 150 ? 52.268 33.090 -11.631 1.00 7.09 ? 150 LEU A CA 1 -ATOM 1130 C C . LEU A 1 150 ? 51.575 31.938 -10.910 1.00 6.83 ? 150 LEU A C 1 -ATOM 1131 O O . LEU A 1 150 ? 52.225 31.122 -10.258 1.00 6.78 ? 150 LEU A O 1 -ATOM 1132 C CB . LEU A 1 150 ? 52.281 34.341 -10.744 1.00 7.61 ? 150 LEU A CB 1 -ATOM 1133 C CG . LEU A 1 150 ? 53.345 35.400 -11.059 1.00 8.09 ? 150 LEU A CG 1 -ATOM 1134 C CD1 . LEU A 1 150 ? 53.058 36.670 -10.275 1.00 8.33 ? 150 LEU A CD1 1 -ATOM 1135 C CD2 . LEU A 1 150 ? 54.730 34.861 -10.711 1.00 8.75 ? 150 LEU A CD2 1 -ATOM 1136 N N . ILE A 1 151 ? 50.253 31.874 -11.019 1.00 6.57 ? 151 ILE A N 1 -ATOM 1137 C CA . ILE A 1 151 ? 49.507 30.798 -10.388 1.00 6.35 ? 151 ILE A CA 1 -ATOM 1138 C C . ILE A 1 151 ? 49.898 29.476 -11.046 1.00 6.45 ? 151 ILE A C 1 -ATOM 1139 O O . ILE A 1 151 ? 50.105 28.473 -10.365 1.00 5.93 ? 151 ILE A O 1 -ATOM 1140 C CB . ILE A 1 151 ? 47.985 31.038 -10.506 1.00 6.32 ? 151 ILE A CB 1 -ATOM 1141 C CG1 . ILE A 1 151 ? 47.588 32.226 -9.622 1.00 6.27 ? 151 ILE A CG1 1 -ATOM 1142 C CG2 . ILE A 1 151 ? 47.219 29.781 -10.102 1.00 6.17 ? 151 ILE A CG2 1 -ATOM 1143 C CD1 . ILE A 1 151 ? 46.148 32.668 -9.769 1.00 6.89 ? 151 ILE A CD1 1 -ATOM 1144 N N . ARG A 1 152 ? 50.017 29.470 -12.371 1.00 6.49 ? 152 ARG A N 1 -ATOM 1145 C CA . ARG A 1 152 ? 50.418 28.247 -13.054 1.00 6.90 ? 152 ARG A CA 1 -ATOM 1146 C C . ARG A 1 152 ? 51.843 27.873 -12.665 1.00 6.69 ? 152 ARG A C 1 -ATOM 1147 O O . ARG A 1 152 ? 52.128 26.708 -12.402 1.00 6.74 ? 152 ARG A O 1 -ATOM 1148 C CB . ARG A 1 152 ? 50.336 28.405 -14.574 1.00 7.50 ? 152 ARG A CB 1 -ATOM 1149 C CG . ARG A 1 152 ? 48.919 28.441 -15.125 1.00 8.53 ? 152 ARG A CG 1 -ATOM 1150 C CD . ARG A 1 152 ? 48.921 28.404 -16.647 1.00 9.59 ? 152 ARG A CD 1 -ATOM 1151 N NE . ARG A 1 152 ? 47.607 28.718 -17.207 1.00 10.56 ? 152 ARG A NE 1 -ATOM 1152 C CZ . ARG A 1 152 ? 46.554 27.907 -17.170 1.00 11.15 ? 152 ARG A CZ 1 -ATOM 1153 N NH1 . ARG A 1 152 ? 46.647 26.712 -16.603 1.00 11.50 ? 152 ARG A NH1 1 -ATOM 1154 N NH2 . ARG A 1 152 ? 45.399 28.301 -17.687 1.00 12.03 ? 152 ARG A NH2 1 -ATOM 1155 N N . LYS A 1 153 ? 52.736 28.860 -12.620 1.00 6.44 ? 153 LYS A N 1 -ATOM 1156 C CA . LYS A 1 153 ? 54.129 28.590 -12.275 1.00 6.44 ? 153 LYS A CA 1 -ATOM 1157 C C . LYS A 1 153 ? 54.289 28.012 -10.871 1.00 6.04 ? 153 LYS A C 1 -ATOM 1158 O O . LYS A 1 153 ? 55.019 27.040 -10.681 1.00 5.79 ? 153 LYS A O 1 -ATOM 1159 C CB . LYS A 1 153 ? 54.975 29.861 -12.421 1.00 6.84 ? 153 LYS A CB 1 -ATOM 1160 C CG . LYS A 1 153 ? 56.474 29.649 -12.208 1.00 7.78 ? 153 LYS A CG 1 -ATOM 1161 C CD . LYS A 1 153 ? 57.047 28.548 -13.104 1.00 8.85 ? 153 LYS A CD 1 -ATOM 1162 C CE . LYS A 1 153 ? 56.963 28.896 -14.585 1.00 9.46 ? 153 LYS A CE 1 -ATOM 1163 N NZ . LYS A 1 153 ? 57.525 27.804 -15.436 1.00 10.60 ? 153 LYS A NZ 1 -ATOM 1164 N N . ALA A 1 154 ? 53.608 28.598 -9.889 1.00 5.47 ? 154 ALA A N 1 -ATOM 1165 C CA . ALA A 1 154 ? 53.701 28.102 -8.520 1.00 5.35 ? 154 ALA A CA 1 -ATOM 1166 C C . ALA A 1 154 ? 53.147 26.682 -8.442 1.00 5.35 ? 154 ALA A C 1 -ATOM 1167 O O . ALA A 1 154 ? 53.677 25.834 -7.720 1.00 5.25 ? 154 ALA A O 1 -ATOM 1168 C CB . ALA A 1 154 ? 52.935 29.023 -7.571 1.00 5.08 ? 154 ALA A CB 1 -ATOM 1169 N N . SER A 1 155 ? 52.078 26.420 -9.188 1.00 5.25 ? 155 SER A N 1 -ATOM 1170 C CA . SER A 1 155 ? 51.474 25.091 -9.197 1.00 5.38 ? 155 SER A CA 1 -ATOM 1171 C C . SER A 1 155 ? 52.435 24.076 -9.810 1.00 5.48 ? 155 SER A C 1 -ATOM 1172 O O . SER A 1 155 ? 52.625 22.982 -9.280 1.00 5.25 ? 155 SER A O 1 -ATOM 1173 C CB . SER A 1 155 ? 50.172 25.101 -10.004 1.00 5.42 ? 155 SER A CB 1 -ATOM 1174 O OG . SER A 1 155 ? 49.201 25.952 -9.417 1.00 5.45 ? 155 SER A OG 1 -ATOM 1175 N N . GLU A 1 156 ? 53.039 24.452 -10.932 1.00 5.88 ? 156 GLU A N 1 -ATOM 1176 C CA . GLU A 1 156 ? 53.974 23.580 -11.631 1.00 6.32 ? 156 GLU A CA 1 -ATOM 1177 C C . GLU A 1 156 ? 55.191 23.259 -10.770 1.00 5.88 ? 156 GLU A C 1 -ATOM 1178 O O . GLU A 1 156 ? 55.597 22.104 -10.669 1.00 5.69 ? 156 GLU A O 1 -ATOM 1179 C CB . GLU A 1 156 ? 54.408 24.234 -12.943 1.00 7.52 ? 156 GLU A CB 1 -ATOM 1180 C CG . GLU A 1 156 ? 53.244 24.531 -13.885 1.00 10.19 ? 156 GLU A CG 1 -ATOM 1181 C CD . GLU A 1 156 ? 53.668 25.276 -15.133 1.00 11.27 ? 156 GLU A CD 1 -ATOM 1182 O OE1 . GLU A 1 156 ? 54.669 26.021 -15.070 1.00 12.40 ? 156 GLU A OE1 1 -ATOM 1183 O OE2 . GLU A 1 156 ? 52.986 25.130 -16.172 1.00 12.73 ? 156 GLU A OE2 1 -ATOM 1184 N N . ILE A 1 157 ? 55.773 24.281 -10.150 1.00 5.27 ? 157 ILE A N 1 -ATOM 1185 C CA . ILE A 1 157 ? 56.940 24.078 -9.295 1.00 5.18 ? 157 ILE A CA 1 -ATOM 1186 C C . ILE A 1 157 ? 56.596 23.163 -8.123 1.00 5.05 ? 157 ILE A C 1 -ATOM 1187 O O . ILE A 1 157 ? 57.350 22.243 -7.799 1.00 5.13 ? 157 ILE A O 1 -ATOM 1188 C CB . ILE A 1 157 ? 57.462 25.421 -8.745 1.00 4.98 ? 157 ILE A CB 1 -ATOM 1189 C CG1 . ILE A 1 157 ? 57.957 26.297 -9.897 1.00 5.14 ? 157 ILE A CG1 1 -ATOM 1190 C CG2 . ILE A 1 157 ? 58.592 25.179 -7.759 1.00 5.36 ? 157 ILE A CG2 1 -ATOM 1191 C CD1 . ILE A 1 157 ? 58.258 27.728 -9.486 1.00 5.27 ? 157 ILE A CD1 1 -ATOM 1192 N N . SER A 1 158 ? 55.451 23.417 -7.494 1.00 4.96 ? 158 SER A N 1 -ATOM 1193 C CA . SER A 1 158 ? 55.004 22.616 -6.359 1.00 4.85 ? 158 SER A CA 1 -ATOM 1194 C C . SER A 1 158 ? 54.833 21.157 -6.760 1.00 4.82 ? 158 SER A C 1 -ATOM 1195 O O . SER A 1 158 ? 55.246 20.249 -6.039 1.00 5.09 ? 158 SER A O 1 -ATOM 1196 C CB . SER A 1 158 ? 53.684 23.167 -5.812 1.00 5.09 ? 158 SER A CB 1 -ATOM 1197 O OG . SER A 1 158 ? 53.855 24.482 -5.308 1.00 4.96 ? 158 SER A OG 1 -ATOM 1198 N N . ILE A 1 159 ? 54.223 20.930 -7.918 1.00 4.91 ? 159 ILE A N 1 -ATOM 1199 C CA . ILE A 1 159 ? 54.012 19.575 -8.403 1.00 4.97 ? 159 ILE A CA 1 -ATOM 1200 C C . ILE A 1 159 ? 55.340 18.877 -8.689 1.00 5.15 ? 159 ILE A C 1 -ATOM 1201 O O . ILE A 1 159 ? 55.549 17.737 -8.277 1.00 4.88 ? 159 ILE A O 1 -ATOM 1202 C CB . ILE A 1 159 ? 53.117 19.591 -9.664 1.00 4.98 ? 159 ILE A CB 1 -ATOM 1203 C CG1 . ILE A 1 159 ? 51.687 19.962 -9.257 1.00 5.43 ? 159 ILE A CG1 1 -ATOM 1204 C CG2 . ILE A 1 159 ? 53.152 18.230 -10.369 1.00 5.12 ? 159 ILE A CG2 1 -ATOM 1205 C CD1 . ILE A 1 159 ? 50.763 20.270 -10.422 1.00 5.26 ? 159 ILE A CD1 1 -ATOM 1206 N N . LYS A 1 160 ? 56.246 19.565 -9.373 1.00 5.47 ? 160 LYS A N 1 -ATOM 1207 C CA . LYS A 1 160 ? 57.546 18.981 -9.691 1.00 5.63 ? 160 LYS A CA 1 -ATOM 1208 C C . LYS A 1 160 ? 58.341 18.649 -8.429 1.00 5.68 ? 160 LYS A C 1 -ATOM 1209 O O . LYS A 1 160 ? 59.088 17.667 -8.394 1.00 6.04 ? 160 LYS A O 1 -ATOM 1210 C CB . LYS A 1 160 ? 58.349 19.939 -10.578 1.00 6.20 ? 160 LYS A CB 1 -ATOM 1211 C CG . LYS A 1 160 ? 57.788 20.087 -11.986 1.00 7.28 ? 160 LYS A CG 1 -ATOM 1212 C CD . LYS A 1 160 ? 58.568 21.108 -12.798 1.00 8.31 ? 160 LYS A CD 1 -ATOM 1213 C CE . LYS A 1 160 ? 58.027 21.212 -14.217 1.00 9.11 ? 160 LYS A CE 1 -ATOM 1214 N NZ . LYS A 1 160 ? 58.781 22.201 -15.034 1.00 10.14 ? 160 LYS A NZ 1 -ATOM 1215 N N . ALA A 1 161 ? 58.164 19.466 -7.396 1.00 5.46 ? 161 ALA A N 1 -ATOM 1216 C CA . ALA A 1 161 ? 58.863 19.275 -6.131 1.00 5.50 ? 161 ALA A CA 1 -ATOM 1217 C C . ALA A 1 161 ? 58.277 18.152 -5.273 1.00 5.52 ? 161 ALA A C 1 -ATOM 1218 O O . ALA A 1 161 ? 58.851 17.792 -4.249 1.00 5.86 ? 161 ALA A O 1 -ATOM 1219 C CB . ALA A 1 161 ? 58.879 20.585 -5.347 1.00 5.76 ? 161 ALA A CB 1 -ATOM 1220 N N . GLY A 1 162 ? 57.131 17.613 -5.678 1.00 5.07 ? 162 GLY A N 1 -ATOM 1221 C CA . GLY A 1 162 ? 56.537 16.515 -4.933 1.00 4.96 ? 162 GLY A CA 1 -ATOM 1222 C C . GLY A 1 162 ? 55.237 16.743 -4.183 1.00 4.82 ? 162 GLY A C 1 -ATOM 1223 O O . GLY A 1 162 ? 54.850 15.902 -3.376 1.00 5.19 ? 162 GLY A O 1 -ATOM 1224 N N . ALA A 1 163 ? 54.549 17.851 -4.435 1.00 4.89 ? 163 ALA A N 1 -ATOM 1225 C CA . ALA A 1 163 ? 53.287 18.113 -3.745 1.00 4.69 ? 163 ALA A CA 1 -ATOM 1226 C C . ALA A 1 163 ? 52.268 16.998 -3.969 1.00 4.62 ? 163 ALA A C 1 -ATOM 1227 O O . ALA A 1 163 ? 52.105 16.516 -5.093 1.00 4.67 ? 163 ALA A O 1 -ATOM 1228 C CB . ALA A 1 163 ? 52.700 19.430 -4.222 1.00 4.68 ? 163 ALA A CB 1 -ATOM 1229 N N . ASP A 1 164 ? 51.575 16.595 -2.904 1.00 4.69 ? 164 ASP A N 1 -ATOM 1230 C CA . ASP A 1 164 ? 50.547 15.559 -3.020 1.00 4.64 ? 164 ASP A CA 1 -ATOM 1231 C C . ASP A 1 164 ? 49.204 16.228 -3.312 1.00 4.66 ? 164 ASP A C 1 -ATOM 1232 O O . ASP A 1 164 ? 48.271 15.588 -3.798 1.00 4.70 ? 164 ASP A O 1 -ATOM 1233 C CB . ASP A 1 164 ? 50.450 14.737 -1.733 1.00 4.88 ? 164 ASP A CB 1 -ATOM 1234 C CG . ASP A 1 164 ? 51.737 13.993 -1.419 1.00 5.18 ? 164 ASP A CG 1 -ATOM 1235 O OD1 . ASP A 1 164 ? 52.271 13.309 -2.318 1.00 5.96 ? 164 ASP A OD1 1 -ATOM 1236 O OD2 . ASP A 1 164 ? 52.217 14.078 -0.270 1.00 5.41 ? 164 ASP A OD2 1 -ATOM 1237 N N . PHE A 1 165 ? 49.130 17.521 -2.999 1.00 4.55 ? 165 PHE A N 1 -ATOM 1238 C CA . PHE A 1 165 ? 47.947 18.356 -3.221 1.00 4.82 ? 165 PHE A CA 1 -ATOM 1239 C C . PHE A 1 165 ? 48.438 19.778 -3.456 1.00 4.76 ? 165 PHE A C 1 -ATOM 1240 O O . PHE A 1 165 ? 49.468 20.177 -2.913 1.00 4.64 ? 165 PHE A O 1 -ATOM 1241 C CB . PHE A 1 165 ? 47.077 18.475 -1.960 1.00 5.48 ? 165 PHE A CB 1 -ATOM 1242 C CG . PHE A 1 165 ? 46.007 17.438 -1.809 1.00 6.11 ? 165 PHE A CG 1 -ATOM 1243 C CD1 . PHE A 1 165 ? 46.289 16.202 -1.243 1.00 6.56 ? 165 PHE A CD1 1 -ATOM 1244 C CD2 . PHE A 1 165 ? 44.689 17.739 -2.140 1.00 6.28 ? 165 PHE A CD2 1 -ATOM 1245 C CE1 . PHE A 1 165 ? 45.273 15.284 -1.000 1.00 7.21 ? 165 PHE A CE1 1 -ATOM 1246 C CE2 . PHE A 1 165 ? 43.668 16.830 -1.901 1.00 6.96 ? 165 PHE A CE2 1 -ATOM 1247 C CZ . PHE A 1 165 ? 43.960 15.600 -1.328 1.00 7.16 ? 165 PHE A CZ 1 -ATOM 1248 N N . ILE A 1 166 ? 47.709 20.539 -4.261 1.00 4.82 ? 166 ILE A N 1 -ATOM 1249 C CA . ILE A 1 166 ? 48.027 21.954 -4.401 1.00 4.60 ? 166 ILE A CA 1 -ATOM 1250 C C . ILE A 1 166 ? 46.758 22.633 -3.886 1.00 4.66 ? 166 ILE A C 1 -ATOM 1251 O O . ILE A 1 166 ? 45.638 22.259 -4.246 1.00 4.87 ? 166 ILE A O 1 -ATOM 1252 C CB . ILE A 1 166 ? 48.410 22.398 -5.849 1.00 5.00 ? 166 ILE A CB 1 -ATOM 1253 C CG1 . ILE A 1 166 ? 47.383 21.939 -6.882 1.00 5.07 ? 166 ILE A CG1 1 -ATOM 1254 C CG2 . ILE A 1 166 ? 49.806 21.875 -6.172 1.00 5.05 ? 166 ILE A CG2 1 -ATOM 1255 C CD1 . ILE A 1 166 ? 47.686 22.473 -8.284 1.00 5.57 ? 166 ILE A CD1 1 -ATOM 1256 N N . LYS A 1 167 ? 46.960 23.608 -3.008 1.00 4.75 ? 167 LYS A N 1 -ATOM 1257 C CA . LYS A 1 167 ? 45.885 24.323 -2.333 1.00 4.74 ? 167 LYS A CA 1 -ATOM 1258 C C . LYS A 1 167 ? 45.907 25.806 -2.695 1.00 4.67 ? 167 LYS A C 1 -ATOM 1259 O O . LYS A 1 167 ? 46.968 26.415 -2.777 1.00 4.72 ? 167 LYS A O 1 -ATOM 1260 C CB . LYS A 1 167 ? 46.071 24.101 -0.826 1.00 4.83 ? 167 LYS A CB 1 -ATOM 1261 C CG . LYS A 1 167 ? 45.136 24.826 0.116 1.00 5.23 ? 167 LYS A CG 1 -ATOM 1262 C CD . LYS A 1 167 ? 45.395 24.339 1.540 1.00 5.55 ? 167 LYS A CD 1 -ATOM 1263 C CE . LYS A 1 167 ? 44.720 25.233 2.563 1.00 5.94 ? 167 LYS A CE 1 -ATOM 1264 N NZ . LYS A 1 167 ? 45.062 24.861 3.969 1.00 6.49 ? 167 LYS A NZ 1 -ATOM 1265 N N . THR A 1 168 ? 44.733 26.391 -2.899 1.00 4.85 ? 168 THR A N 1 -ATOM 1266 C CA . THR A 1 168 ? 44.670 27.789 -3.307 1.00 4.93 ? 168 THR A CA 1 -ATOM 1267 C C . THR A 1 168 ? 45.141 28.850 -2.333 1.00 5.05 ? 168 THR A C 1 -ATOM 1268 O O . THR A 1 168 ? 45.942 29.712 -2.701 1.00 4.90 ? 168 THR A O 1 -ATOM 1269 C CB . THR A 1 168 ? 43.232 28.217 -3.714 1.00 4.95 ? 168 THR A CB 1 -ATOM 1270 O OG1 . THR A 1 168 ? 42.380 28.218 -2.560 1.00 4.71 ? 168 THR A OG1 1 -ATOM 1271 C CG2 . THR A 1 168 ? 42.660 27.286 -4.764 1.00 5.13 ? 168 THR A CG2 1 -ATOM 1272 N N . SER A 1 169 ? 44.679 28.776 -1.086 1.00 5.32 ? 169 SER A N 1 -ATOM 1273 C CA . SER A 1 169 ? 44.970 29.855 -0.154 1.00 5.32 ? 169 SER A CA 1 -ATOM 1274 C C . SER A 1 169 ? 45.081 29.508 1.324 1.00 5.45 ? 169 SER A C 1 -ATOM 1275 O O . SER A 1 169 ? 44.762 28.399 1.746 1.00 5.27 ? 169 SER A O 1 -ATOM 1276 C CB . SER A 1 169 ? 43.870 30.908 -0.318 1.00 5.60 ? 169 SER A CB 1 -ATOM 1277 O OG . SER A 1 169 ? 43.319 30.880 -1.632 1.00 5.36 ? 169 SER A OG 1 -ATOM 1278 N N . THR A 1 170 ? 45.516 30.497 2.105 1.00 5.46 ? 170 THR A N 1 -ATOM 1279 C CA . THR A 1 170 ? 45.657 30.357 3.555 1.00 5.57 ? 170 THR A CA 1 -ATOM 1280 C C . THR A 1 170 ? 44.385 30.781 4.276 1.00 5.95 ? 170 THR A C 1 -ATOM 1281 O O . THR A 1 170 ? 44.149 30.378 5.417 1.00 6.24 ? 170 THR A O 1 -ATOM 1282 C CB . THR A 1 170 ? 46.765 31.263 4.128 1.00 5.20 ? 170 THR A CB 1 -ATOM 1283 O OG1 . THR A 1 170 ? 46.452 32.632 3.835 1.00 5.28 ? 170 THR A OG1 1 -ATOM 1284 C CG2 . THR A 1 170 ? 48.124 30.907 3.556 1.00 5.34 ? 170 THR A CG2 1 -ATOM 1285 N N . GLY A 1 171 ? 43.583 31.609 3.611 1.00 6.35 ? 171 GLY A N 1 -ATOM 1286 C CA . GLY A 1 171 ? 42.369 32.118 4.218 1.00 6.83 ? 171 GLY A CA 1 -ATOM 1287 C C . GLY A 1 171 ? 42.713 33.313 5.092 1.00 7.24 ? 171 GLY A C 1 -ATOM 1288 O O . GLY A 1 171 ? 41.840 33.885 5.747 1.00 7.49 ? 171 GLY A O 1 -ATOM 1289 N N . LYS A 1 172 ? 43.988 33.696 5.096 1.00 7.35 ? 172 LYS A N 1 -ATOM 1290 C CA . LYS A 1 172 ? 44.459 34.813 5.911 1.00 7.56 ? 172 LYS A CA 1 -ATOM 1291 C C . LYS A 1 172 ? 44.701 36.099 5.136 1.00 7.74 ? 172 LYS A C 1 -ATOM 1292 O O . LYS A 1 172 ? 45.152 37.097 5.699 1.00 7.87 ? 172 LYS A O 1 -ATOM 1293 C CB . LYS A 1 172 ? 45.723 34.408 6.668 1.00 8.12 ? 172 LYS A CB 1 -ATOM 1294 C CG . LYS A 1 172 ? 45.503 33.230 7.605 1.00 8.60 ? 172 LYS A CG 1 -ATOM 1295 C CD . LYS A 1 172 ? 44.408 33.527 8.615 1.00 9.89 ? 172 LYS A CD 1 -ATOM 1296 C CE . LYS A 1 172 ? 44.207 32.355 9.561 1.00 10.56 ? 172 LYS A CE 1 -ATOM 1297 N NZ . LYS A 1 172 ? 43.108 32.629 10.522 1.00 11.76 ? 172 LYS A NZ 1 -ATOM 1298 N N . VAL A 1 173 ? 44.421 36.071 3.838 1.00 7.59 ? 173 VAL A N 1 -ATOM 1299 C CA . VAL A 1 173 ? 44.552 37.262 3.014 1.00 7.94 ? 173 VAL A CA 1 -ATOM 1300 C C . VAL A 1 173 ? 43.150 37.572 2.497 1.00 8.12 ? 173 VAL A C 1 -ATOM 1301 O O . VAL A 1 173 ? 42.237 36.758 2.642 1.00 8.27 ? 173 VAL A O 1 -ATOM 1302 C CB . VAL A 1 173 ? 45.543 37.057 1.843 1.00 7.87 ? 173 VAL A CB 1 -ATOM 1303 C CG1 . VAL A 1 173 ? 46.958 36.923 2.392 1.00 7.99 ? 173 VAL A CG1 1 -ATOM 1304 C CG2 . VAL A 1 173 ? 45.164 35.829 1.032 1.00 7.95 ? 173 VAL A CG2 1 -ATOM 1305 N N . ALA A 1 174 ? 42.977 38.748 1.907 1.00 8.55 ? 174 ALA A N 1 -ATOM 1306 C CA . ALA A 1 174 ? 41.673 39.171 1.411 1.00 8.61 ? 174 ALA A CA 1 -ATOM 1307 C C . ALA A 1 174 ? 41.030 38.244 0.386 1.00 8.50 ? 174 ALA A C 1 -ATOM 1308 O O . ALA A 1 174 ? 39.883 37.825 0.551 1.00 8.84 ? 174 ALA A O 1 -ATOM 1309 C CB . ALA A 1 174 ? 41.770 40.587 0.842 1.00 9.06 ? 174 ALA A CB 1 -ATOM 1310 N N . VAL A 1 175 ? 41.762 37.931 -0.678 1.00 8.15 ? 175 VAL A N 1 -ATOM 1311 C CA . VAL A 1 175 ? 41.231 37.070 -1.723 1.00 7.77 ? 175 VAL A CA 1 -ATOM 1312 C C . VAL A 1 175 ? 41.789 35.666 -1.593 1.00 7.29 ? 175 VAL A C 1 -ATOM 1313 O O . VAL A 1 175 ? 43.004 35.464 -1.560 1.00 7.01 ? 175 VAL A O 1 -ATOM 1314 C CB . VAL A 1 175 ? 41.565 37.621 -3.126 1.00 8.04 ? 175 VAL A CB 1 -ATOM 1315 C CG1 . VAL A 1 175 ? 41.016 36.692 -4.200 1.00 8.31 ? 175 VAL A CG1 1 -ATOM 1316 C CG2 . VAL A 1 175 ? 40.969 39.012 -3.289 1.00 8.10 ? 175 VAL A CG2 1 -ATOM 1317 N N . ASN A 1 176 ? 40.886 34.700 -1.514 1.00 7.08 ? 176 ASN A N 1 -ATOM 1318 C CA . ASN A 1 176 ? 41.273 33.311 -1.386 1.00 6.84 ? 176 ASN A CA 1 -ATOM 1319 C C . ASN A 1 176 ? 40.771 32.502 -2.580 1.00 6.82 ? 176 ASN A C 1 -ATOM 1320 O O . ASN A 1 176 ? 40.993 32.899 -3.720 1.00 6.77 ? 176 ASN A O 1 -ATOM 1321 C CB . ASN A 1 176 ? 40.760 32.781 -0.046 1.00 6.97 ? 176 ASN A CB 1 -ATOM 1322 C CG . ASN A 1 176 ? 41.400 33.504 1.128 1.00 7.05 ? 176 ASN A CG 1 -ATOM 1323 O OD1 . ASN A 1 176 ? 42.574 33.290 1.436 1.00 6.48 ? 176 ASN A OD1 1 -ATOM 1324 N ND2 . ASN A 1 176 ? 40.642 34.391 1.767 1.00 7.38 ? 176 ASN A ND2 1 -ATOM 1325 N N . ALA A 1 177 ? 40.098 31.385 -2.344 1.00 6.86 ? 177 ALA A N 1 -ATOM 1326 C CA . ALA A 1 177 ? 39.628 30.582 -3.468 1.00 6.80 ? 177 ALA A CA 1 -ATOM 1327 C C . ALA A 1 177 ? 38.625 31.305 -4.363 1.00 6.89 ? 177 ALA A C 1 -ATOM 1328 O O . ALA A 1 177 ? 37.766 32.043 -3.883 1.00 6.85 ? 177 ALA A O 1 -ATOM 1329 C CB . ALA A 1 177 ? 39.003 29.287 -2.963 1.00 6.85 ? 177 ALA A CB 1 -ATOM 1330 N N . THR A 1 178 ? 38.761 31.101 -5.669 1.00 6.87 ? 178 THR A N 1 -ATOM 1331 C CA . THR A 1 178 ? 37.821 31.649 -6.645 1.00 7.04 ? 178 THR A CA 1 -ATOM 1332 C C . THR A 1 178 ? 37.684 30.567 -7.704 1.00 7.12 ? 178 THR A C 1 -ATOM 1333 O O . THR A 1 178 ? 38.591 29.752 -7.889 1.00 6.74 ? 178 THR A O 1 -ATOM 1334 C CB . THR A 1 178 ? 38.315 32.937 -7.360 1.00 7.24 ? 178 THR A CB 1 -ATOM 1335 O OG1 . THR A 1 178 ? 39.399 32.617 -8.241 1.00 7.86 ? 178 THR A OG1 1 -ATOM 1336 C CG2 . THR A 1 178 ? 38.741 33.988 -6.358 1.00 7.58 ? 178 THR A CG2 1 -ATOM 1337 N N . PRO A 1 179 ? 36.539 30.524 -8.399 1.00 7.25 ? 179 PRO A N 1 -ATOM 1338 C CA . PRO A 1 179 ? 36.368 29.503 -9.434 1.00 7.47 ? 179 PRO A CA 1 -ATOM 1339 C C . PRO A 1 179 ? 37.443 29.608 -10.516 1.00 7.61 ? 179 PRO A C 1 -ATOM 1340 O O . PRO A 1 179 ? 37.875 28.595 -11.060 1.00 7.48 ? 179 PRO A O 1 -ATOM 1341 C CB . PRO A 1 179 ? 34.965 29.788 -9.963 1.00 7.53 ? 179 PRO A CB 1 -ATOM 1342 C CG . PRO A 1 179 ? 34.252 30.248 -8.726 1.00 7.63 ? 179 PRO A CG 1 -ATOM 1343 C CD . PRO A 1 179 ? 35.260 31.199 -8.113 1.00 7.41 ? 179 PRO A CD 1 -ATOM 1344 N N . GLU A 1 180 ? 37.872 30.830 -10.827 1.00 7.87 ? 180 GLU A N 1 -ATOM 1345 C CA . GLU A 1 180 ? 38.905 31.037 -11.841 1.00 8.23 ? 180 GLU A CA 1 -ATOM 1346 C C . GLU A 1 180 ? 40.246 30.458 -11.391 1.00 7.99 ? 180 GLU A C 1 -ATOM 1347 O O . GLU A 1 180 ? 40.923 29.773 -12.155 1.00 7.59 ? 180 GLU A O 1 -ATOM 1348 C CB . GLU A 1 180 ? 39.064 32.531 -12.149 1.00 9.39 ? 180 GLU A CB 1 -ATOM 1349 C CG . GLU A 1 180 ? 40.256 32.865 -13.050 1.00 11.43 ? 180 GLU A CG 1 -ATOM 1350 C CD . GLU A 1 180 ? 40.117 32.333 -14.467 1.00 12.71 ? 180 GLU A CD 1 -ATOM 1351 O OE1 . GLU A 1 180 ? 39.201 31.520 -14.723 1.00 13.78 ? 180 GLU A OE1 1 -ATOM 1352 O OE2 . GLU A 1 180 ? 40.935 32.725 -15.330 1.00 13.95 ? 180 GLU A OE2 1 -ATOM 1353 N N . SER A 1 181 ? 40.632 30.729 -10.148 1.00 7.74 ? 181 SER A N 1 -ATOM 1354 C CA . SER A 1 181 ? 41.893 30.208 -9.630 1.00 7.92 ? 181 SER A CA 1 -ATOM 1355 C C . SER A 1 181 ? 41.867 28.686 -9.566 1.00 7.44 ? 181 SER A C 1 -ATOM 1356 O O . SER A 1 181 ? 42.861 28.029 -9.875 1.00 7.20 ? 181 SER A O 1 -ATOM 1357 C CB . SER A 1 181 ? 42.176 30.775 -8.239 1.00 8.64 ? 181 SER A CB 1 -ATOM 1358 O OG . SER A 1 181 ? 42.492 32.149 -8.315 1.00 10.40 ? 181 SER A OG 1 -ATOM 1359 N N . ALA A 1 182 ? 40.729 28.126 -9.166 1.00 7.19 ? 182 ALA A N 1 -ATOM 1360 C CA . ALA A 1 182 ? 40.583 26.680 -9.073 1.00 7.18 ? 182 ALA A CA 1 -ATOM 1361 C C . ALA A 1 182 ? 40.733 26.044 -10.451 1.00 7.19 ? 182 ALA A C 1 -ATOM 1362 O O . ALA A 1 182 ? 41.373 25.005 -10.597 1.00 7.47 ? 182 ALA A O 1 -ATOM 1363 C CB . ALA A 1 182 ? 39.223 26.323 -8.474 1.00 7.26 ? 182 ALA A CB 1 -ATOM 1364 N N . ARG A 1 183 ? 40.146 26.672 -11.464 1.00 7.24 ? 183 ARG A N 1 -ATOM 1365 C CA . ARG A 1 183 ? 40.232 26.146 -12.819 1.00 7.15 ? 183 ARG A CA 1 -ATOM 1366 C C . ARG A 1 183 ? 41.671 26.192 -13.327 1.00 6.84 ? 183 ARG A C 1 -ATOM 1367 O O . ARG A 1 183 ? 42.143 25.236 -13.936 1.00 6.70 ? 183 ARG A O 1 -ATOM 1368 C CB . ARG A 1 183 ? 39.316 26.934 -13.759 1.00 7.77 ? 183 ARG A CB 1 -ATOM 1369 C CG . ARG A 1 183 ? 39.317 26.421 -15.194 1.00 8.93 ? 183 ARG A CG 1 -ATOM 1370 C CD . ARG A 1 183 ? 38.223 27.095 -16.012 1.00 9.94 ? 183 ARG A CD 1 -ATOM 1371 N NE . ARG A 1 183 ? 36.885 26.639 -15.634 1.00 10.95 ? 183 ARG A NE 1 -ATOM 1372 C CZ . ARG A 1 183 ? 36.333 25.501 -16.049 1.00 11.25 ? 183 ARG A CZ 1 -ATOM 1373 N NH1 . ARG A 1 183 ? 36.999 24.692 -16.863 1.00 11.76 ? 183 ARG A NH1 1 -ATOM 1374 N NH2 . ARG A 1 183 ? 35.110 25.170 -15.650 1.00 11.93 ? 183 ARG A NH2 1 -ATOM 1375 N N . ILE A 1 184 ? 42.370 27.296 -13.076 1.00 6.23 ? 184 ILE A N 1 -ATOM 1376 C CA . ILE A 1 184 ? 43.757 27.418 -13.520 1.00 6.07 ? 184 ILE A CA 1 -ATOM 1377 C C . ILE A 1 184 ? 44.622 26.331 -12.885 1.00 5.96 ? 184 ILE A C 1 -ATOM 1378 O O . ILE A 1 184 ? 45.390 25.655 -13.565 1.00 5.89 ? 184 ILE A O 1 -ATOM 1379 C CB . ILE A 1 184 ? 44.344 28.801 -13.160 1.00 6.17 ? 184 ILE A CB 1 -ATOM 1380 C CG1 . ILE A 1 184 ? 43.609 29.899 -13.934 1.00 6.61 ? 184 ILE A CG1 1 -ATOM 1381 C CG2 . ILE A 1 184 ? 45.829 28.837 -13.486 1.00 6.32 ? 184 ILE A CG2 1 -ATOM 1382 C CD1 . ILE A 1 184 ? 43.924 31.305 -13.453 1.00 7.12 ? 184 ILE A CD1 1 -ATOM 1383 N N . MET A 1 185 ? 44.492 26.164 -11.575 1.00 5.70 ? 185 MET A N 1 -ATOM 1384 C CA . MET A 1 185 ? 45.273 25.160 -10.872 1.00 5.63 ? 185 MET A CA 1 -ATOM 1385 C C . MET A 1 185 ? 44.938 23.738 -11.311 1.00 5.72 ? 185 MET A C 1 -ATOM 1386 O O . MET A 1 185 ? 45.835 22.910 -11.458 1.00 5.49 ? 185 MET A O 1 -ATOM 1387 C CB . MET A 1 185 ? 45.088 25.319 -9.360 1.00 5.48 ? 185 MET A CB 1 -ATOM 1388 C CG . MET A 1 185 ? 45.737 26.589 -8.822 1.00 5.38 ? 185 MET A CG 1 -ATOM 1389 S SD . MET A 1 185 ? 45.521 26.816 -7.050 1.00 5.25 ? 185 MET A SD 1 -ATOM 1390 C CE . MET A 1 185 ? 46.641 25.550 -6.417 1.00 5.67 ? 185 MET A CE 1 -ATOM 1391 N N . MET A 1 186 ? 43.659 23.445 -11.530 1.00 5.98 ? 186 MET A N 1 -ATOM 1392 C CA . MET A 1 186 ? 43.293 22.104 -11.964 1.00 6.31 ? 186 MET A CA 1 -ATOM 1393 C C . MET A 1 186 ? 43.738 21.878 -13.406 1.00 6.34 ? 186 MET A C 1 -ATOM 1394 O O . MET A 1 186 ? 44.039 20.748 -13.795 1.00 6.11 ? 186 MET A O 1 -ATOM 1395 C CB . MET A 1 186 ? 41.785 21.860 -11.809 1.00 6.69 ? 186 MET A CB 1 -ATOM 1396 C CG . MET A 1 186 ? 41.332 21.795 -10.347 1.00 7.86 ? 186 MET A CG 1 -ATOM 1397 S SD . MET A 1 186 ? 39.685 21.073 -10.111 1.00 8.94 ? 186 MET A SD 1 -ATOM 1398 C CE . MET A 1 186 ? 40.116 19.408 -9.801 1.00 9.84 ? 186 MET A CE 1 -ATOM 1399 N N . GLU A 1 187 ? 43.794 22.946 -14.198 1.00 6.56 ? 187 GLU A N 1 -ATOM 1400 C CA . GLU A 1 187 ? 44.250 22.818 -15.579 1.00 7.16 ? 187 GLU A CA 1 -ATOM 1401 C C . GLU A 1 187 ? 45.729 22.441 -15.574 1.00 6.76 ? 187 GLU A C 1 -ATOM 1402 O O . GLU A 1 187 ? 46.190 21.723 -16.456 1.00 6.87 ? 187 GLU A O 1 -ATOM 1403 C CB . GLU A 1 187 ? 44.058 24.123 -16.358 1.00 8.05 ? 187 GLU A CB 1 -ATOM 1404 C CG . GLU A 1 187 ? 42.614 24.478 -16.674 1.00 9.94 ? 187 GLU A CG 1 -ATOM 1405 C CD . GLU A 1 187 ? 42.495 25.802 -17.404 1.00 11.14 ? 187 GLU A CD 1 -ATOM 1406 O OE1 . GLU A 1 187 ? 43.310 26.707 -17.129 1.00 12.74 ? 187 GLU A OE1 1 -ATOM 1407 O OE2 . GLU A 1 187 ? 41.579 25.950 -18.237 1.00 12.04 ? 187 GLU A OE2 1 -ATOM 1408 N N . VAL A 1 188 ? 46.479 22.925 -14.585 1.00 6.49 ? 188 VAL A N 1 -ATOM 1409 C CA . VAL A 1 188 ? 47.896 22.582 -14.499 1.00 6.43 ? 188 VAL A CA 1 -ATOM 1410 C C . VAL A 1 188 ? 48.014 21.088 -14.193 1.00 6.32 ? 188 VAL A C 1 -ATOM 1411 O O . VAL A 1 188 ? 48.818 20.383 -14.803 1.00 6.21 ? 188 VAL A O 1 -ATOM 1412 C CB . VAL A 1 188 ? 48.619 23.407 -13.403 1.00 6.33 ? 188 VAL A CB 1 -ATOM 1413 C CG1 . VAL A 1 188 ? 50.044 22.892 -13.211 1.00 6.63 ? 188 VAL A CG1 1 -ATOM 1414 C CG2 . VAL A 1 188 ? 48.655 24.877 -13.806 1.00 6.77 ? 188 VAL A CG2 1 -ATOM 1415 N N . ILE A 1 189 ? 47.206 20.604 -13.255 1.00 6.14 ? 189 ILE A N 1 -ATOM 1416 C CA . ILE A 1 189 ? 47.216 19.185 -12.911 1.00 6.03 ? 189 ILE A CA 1 -ATOM 1417 C C . ILE A 1 189 ? 46.912 18.379 -14.178 1.00 6.23 ? 189 ILE A C 1 -ATOM 1418 O O . ILE A 1 189 ? 47.580 17.387 -14.480 1.00 5.96 ? 189 ILE A O 1 -ATOM 1419 C CB . ILE A 1 189 ? 46.156 18.867 -11.832 1.00 5.91 ? 189 ILE A CB 1 -ATOM 1420 C CG1 . ILE A 1 189 ? 46.555 19.525 -10.507 1.00 5.82 ? 189 ILE A CG1 1 -ATOM 1421 C CG2 . ILE A 1 189 ? 45.990 17.352 -11.674 1.00 5.87 ? 189 ILE A CG2 1 -ATOM 1422 C CD1 . ILE A 1 189 ? 45.514 19.377 -9.421 1.00 5.65 ? 189 ILE A CD1 1 -ATOM 1423 N N . ARG A 1 190 ? 45.903 18.816 -14.926 1.00 6.51 ? 190 ARG A N 1 -ATOM 1424 C CA . ARG A 1 190 ? 45.529 18.131 -16.154 1.00 7.31 ? 190 ARG A CA 1 -ATOM 1425 C C . ARG A 1 190 ? 46.629 18.192 -17.205 1.00 7.21 ? 190 ARG A C 1 -ATOM 1426 O O . ARG A 1 190 ? 47.013 17.169 -17.771 1.00 7.32 ? 190 ARG A O 1 -ATOM 1427 C CB . ARG A 1 190 ? 44.264 18.744 -16.742 1.00 7.90 ? 190 ARG A CB 1 -ATOM 1428 C CG . ARG A 1 190 ? 43.808 18.041 -18.013 1.00 9.19 ? 190 ARG A CG 1 -ATOM 1429 C CD . ARG A 1 190 ? 42.871 18.909 -18.813 1.00 10.61 ? 190 ARG A CD 1 -ATOM 1430 N NE . ARG A 1 190 ? 43.497 20.175 -19.177 1.00 11.63 ? 190 ARG A NE 1 -ATOM 1431 C CZ . ARG A 1 190 ? 42.834 21.199 -19.700 1.00 12.07 ? 190 ARG A CZ 1 -ATOM 1432 N NH1 . ARG A 1 190 ? 41.531 21.092 -19.915 1.00 12.92 ? 190 ARG A NH1 1 -ATOM 1433 N NH2 . ARG A 1 190 ? 43.465 22.327 -19.996 1.00 12.28 ? 190 ARG A NH2 1 -ATOM 1434 N N . ASP A 1 191 ? 47.130 19.394 -17.466 1.00 7.26 ? 191 ASP A N 1 -ATOM 1435 C CA . ASP A 1 191 ? 48.165 19.580 -18.476 1.00 7.45 ? 191 ASP A CA 1 -ATOM 1436 C C . ASP A 1 191 ? 49.451 18.821 -18.175 1.00 7.45 ? 191 ASP A C 1 -ATOM 1437 O O . ASP A 1 191 ? 50.108 18.316 -19.088 1.00 7.78 ? 191 ASP A O 1 -ATOM 1438 C CB . ASP A 1 191 ? 48.468 21.071 -18.659 1.00 7.78 ? 191 ASP A CB 1 -ATOM 1439 C CG . ASP A 1 191 ? 47.286 21.845 -19.224 1.00 8.54 ? 191 ASP A CG 1 -ATOM 1440 O OD1 . ASP A 1 191 ? 46.402 21.222 -19.847 1.00 8.86 ? 191 ASP A OD1 1 -ATOM 1441 O OD2 . ASP A 1 191 ? 47.250 23.080 -19.055 1.00 9.44 ? 191 ASP A OD2 1 -ATOM 1442 N N . MET A 1 192 ? 49.814 18.740 -16.901 1.00 7.09 ? 192 MET A N 1 -ATOM 1443 C CA . MET A 1 192 ? 51.023 18.022 -16.516 1.00 6.82 ? 192 MET A CA 1 -ATOM 1444 C C . MET A 1 192 ? 50.760 16.519 -16.465 1.00 6.60 ? 192 MET A C 1 -ATOM 1445 O O . MET A 1 192 ? 51.698 15.722 -16.438 1.00 6.80 ? 192 MET A O 1 -ATOM 1446 C CB . MET A 1 192 ? 51.534 18.525 -15.160 1.00 6.98 ? 192 MET A CB 1 -ATOM 1447 C CG . MET A 1 192 ? 52.061 19.953 -15.209 1.00 7.17 ? 192 MET A CG 1 -ATOM 1448 S SD . MET A 1 192 ? 52.786 20.510 -13.652 1.00 7.75 ? 192 MET A SD 1 -ATOM 1449 C CE . MET A 1 192 ? 54.385 19.713 -13.696 1.00 7.93 ? 192 MET A CE 1 -ATOM 1450 N N . GLY A 1 193 ? 49.482 16.144 -16.472 1.00 6.23 ? 193 GLY A N 1 -ATOM 1451 C CA . GLY A 1 193 ? 49.098 14.741 -16.435 1.00 6.20 ? 193 GLY A CA 1 -ATOM 1452 C C . GLY A 1 193 ? 49.321 14.059 -15.098 1.00 6.18 ? 193 GLY A C 1 -ATOM 1453 O O . GLY A 1 193 ? 49.527 12.847 -15.038 1.00 6.35 ? 193 GLY A O 1 -ATOM 1454 N N . VAL A 1 194 ? 49.247 14.828 -14.018 1.00 6.16 ? 194 VAL A N 1 -ATOM 1455 C CA . VAL A 1 194 ? 49.480 14.291 -12.681 1.00 6.26 ? 194 VAL A CA 1 -ATOM 1456 C C . VAL A 1 194 ? 48.225 14.117 -11.827 1.00 6.50 ? 194 VAL A C 1 -ATOM 1457 O O . VAL A 1 194 ? 48.320 14.039 -10.603 1.00 6.24 ? 194 VAL A O 1 -ATOM 1458 C CB . VAL A 1 194 ? 50.478 15.192 -11.904 1.00 6.01 ? 194 VAL A CB 1 -ATOM 1459 C CG1 . VAL A 1 194 ? 51.794 15.287 -12.670 1.00 5.95 ? 194 VAL A CG1 1 -ATOM 1460 C CG2 . VAL A 1 194 ? 49.878 16.583 -11.686 1.00 6.01 ? 194 VAL A CG2 1 -ATOM 1461 N N . GLU A 1 195 ? 47.055 14.033 -12.454 1.00 7.08 ? 195 GLU A N 1 -ATOM 1462 C CA . GLU A 1 195 ? 45.824 13.898 -11.679 1.00 7.82 ? 195 GLU A CA 1 -ATOM 1463 C C . GLU A 1 195 ? 45.770 12.670 -10.776 1.00 7.87 ? 195 GLU A C 1 -ATOM 1464 O O . GLU A 1 195 ? 45.052 12.668 -9.782 1.00 7.84 ? 195 GLU A O 1 -ATOM 1465 C CB . GLU A 1 195 ? 44.590 13.905 -12.590 1.00 8.59 ? 195 GLU A CB 1 -ATOM 1466 C CG . GLU A 1 195 ? 44.467 12.687 -13.475 1.00 10.09 ? 195 GLU A CG 1 -ATOM 1467 C CD . GLU A 1 195 ? 45.064 12.900 -14.850 1.00 10.94 ? 195 GLU A CD 1 -ATOM 1468 O OE1 . GLU A 1 195 ? 45.962 13.758 -14.997 1.00 11.32 ? 195 GLU A OE1 1 -ATOM 1469 O OE2 . GLU A 1 195 ? 44.634 12.199 -15.790 1.00 12.19 ? 195 GLU A OE2 1 -ATOM 1470 N N . LYS A 1 196 ? 46.521 11.625 -11.102 1.00 7.71 ? 196 LYS A N 1 -ATOM 1471 C CA . LYS A 1 196 ? 46.500 10.433 -10.263 1.00 8.02 ? 196 LYS A CA 1 -ATOM 1472 C C . LYS A 1 196 ? 47.285 10.608 -8.963 1.00 7.59 ? 196 LYS A C 1 -ATOM 1473 O O . LYS A 1 196 ? 46.961 9.987 -7.951 1.00 7.73 ? 196 LYS A O 1 -ATOM 1474 C CB . LYS A 1 196 ? 47.049 9.228 -11.032 1.00 8.99 ? 196 LYS A CB 1 -ATOM 1475 C CG . LYS A 1 196 ? 46.149 8.753 -12.163 1.00 10.31 ? 196 LYS A CG 1 -ATOM 1476 C CD . LYS A 1 196 ? 46.763 7.562 -12.880 1.00 11.56 ? 196 LYS A CD 1 -ATOM 1477 C CE . LYS A 1 196 ? 45.842 7.031 -13.964 1.00 12.48 ? 196 LYS A CE 1 -ATOM 1478 N NZ . LYS A 1 196 ? 44.567 6.525 -13.390 1.00 13.53 ? 196 LYS A NZ 1 -ATOM 1479 N N . THR A 1 197 ? 48.296 11.471 -8.980 1.00 7.06 ? 197 THR A N 1 -ATOM 1480 C CA . THR A 1 197 ? 49.140 11.674 -7.807 1.00 6.97 ? 197 THR A CA 1 -ATOM 1481 C C . THR A 1 197 ? 49.007 13.027 -7.115 1.00 6.48 ? 197 THR A C 1 -ATOM 1482 O O . THR A 1 197 ? 49.574 13.233 -6.040 1.00 6.70 ? 197 THR A O 1 -ATOM 1483 C CB . THR A 1 197 ? 50.624 11.478 -8.177 1.00 6.75 ? 197 THR A CB 1 -ATOM 1484 O OG1 . THR A 1 197 ? 50.952 12.322 -9.290 1.00 7.28 ? 197 THR A OG1 1 -ATOM 1485 C CG2 . THR A 1 197 ? 50.898 10.022 -8.544 1.00 7.16 ? 197 THR A CG2 1 -ATOM 1486 N N . VAL A 1 198 ? 48.262 13.947 -7.714 1.00 6.21 ? 198 VAL A N 1 -ATOM 1487 C CA . VAL A 1 198 ? 48.108 15.273 -7.124 1.00 6.06 ? 198 VAL A CA 1 -ATOM 1488 C C . VAL A 1 198 ? 46.645 15.685 -6.992 1.00 5.85 ? 198 VAL A C 1 -ATOM 1489 O O . VAL A 1 198 ? 45.900 15.696 -7.975 1.00 6.19 ? 198 VAL A O 1 -ATOM 1490 C CB . VAL A 1 198 ? 48.856 16.345 -7.964 1.00 5.94 ? 198 VAL A CB 1 -ATOM 1491 C CG1 . VAL A 1 198 ? 48.736 17.712 -7.300 1.00 6.16 ? 198 VAL A CG1 1 -ATOM 1492 C CG2 . VAL A 1 198 ? 50.324 15.958 -8.124 1.00 6.08 ? 198 VAL A CG2 1 -ATOM 1493 N N . GLY A 1 199 ? 46.240 16.021 -5.770 1.00 5.47 ? 199 GLY A N 1 -ATOM 1494 C CA . GLY A 1 199 ? 44.874 16.446 -5.533 1.00 5.29 ? 199 GLY A CA 1 -ATOM 1495 C C . GLY A 1 199 ? 44.746 17.957 -5.526 1.00 4.83 ? 199 GLY A C 1 -ATOM 1496 O O . GLY A 1 199 ? 45.747 18.677 -5.605 1.00 4.75 ? 199 GLY A O 1 -ATOM 1497 N N . PHE A 1 200 ? 43.511 18.442 -5.431 1.00 4.67 ? 200 PHE A N 1 -ATOM 1498 C CA . PHE A 1 200 ? 43.257 19.877 -5.400 1.00 4.54 ? 200 PHE A CA 1 -ATOM 1499 C C . PHE A 1 200 ? 42.429 20.257 -4.180 1.00 4.51 ? 200 PHE A C 1 -ATOM 1500 O O . PHE A 1 200 ? 41.516 19.530 -3.779 1.00 4.82 ? 200 PHE A O 1 -ATOM 1501 C CB . PHE A 1 200 ? 42.526 20.328 -6.667 1.00 4.37 ? 200 PHE A CB 1 -ATOM 1502 C CG . PHE A 1 200 ? 42.161 21.782 -6.658 1.00 4.24 ? 200 PHE A CG 1 -ATOM 1503 C CD1 . PHE A 1 200 ? 43.150 22.759 -6.626 1.00 4.34 ? 200 PHE A CD1 1 -ATOM 1504 C CD2 . PHE A 1 200 ? 40.828 22.175 -6.622 1.00 4.29 ? 200 PHE A CD2 1 -ATOM 1505 C CE1 . PHE A 1 200 ? 42.817 24.108 -6.553 1.00 4.69 ? 200 PHE A CE1 1 -ATOM 1506 C CE2 . PHE A 1 200 ? 40.484 23.517 -6.550 1.00 4.83 ? 200 PHE A CE2 1 -ATOM 1507 C CZ . PHE A 1 200 ? 41.480 24.487 -6.513 1.00 4.61 ? 200 PHE A CZ 1 -ATOM 1508 N N . LYS A 1 201 ? 42.749 21.406 -3.595 1.00 4.56 ? 201 LYS A N 1 -ATOM 1509 C CA . LYS A 1 201 ? 42.027 21.870 -2.429 1.00 4.55 ? 201 LYS A CA 1 -ATOM 1510 C C . LYS A 1 201 ? 41.726 23.364 -2.441 1.00 4.76 ? 201 LYS A C 1 -ATOM 1511 O O . LYS A 1 201 ? 42.607 24.187 -2.188 1.00 4.64 ? 201 LYS A O 1 -ATOM 1512 C CB . LYS A 1 201 ? 42.801 21.512 -1.147 1.00 4.59 ? 201 LYS A CB 1 -ATOM 1513 C CG . LYS A 1 201 ? 42.158 22.030 0.141 1.00 4.82 ? 201 LYS A CG 1 -ATOM 1514 C CD . LYS A 1 201 ? 42.927 21.595 1.383 1.00 4.78 ? 201 LYS A CD 1 -ATOM 1515 C CE . LYS A 1 201 ? 42.328 22.215 2.646 1.00 4.94 ? 201 LYS A CE 1 -ATOM 1516 N NZ . LYS A 1 201 ? 43.094 21.867 3.885 1.00 5.11 ? 201 LYS A NZ 1 -ATOM 1517 N N . PRO A 1 202 ? 40.487 23.740 -2.798 1.00 4.96 ? 202 PRO A N 1 -ATOM 1518 C CA . PRO A 1 202 ? 40.169 25.170 -2.787 1.00 5.09 ? 202 PRO A CA 1 -ATOM 1519 C C . PRO A 1 202 ? 39.990 25.504 -1.306 1.00 5.37 ? 202 PRO A C 1 -ATOM 1520 O O . PRO A 1 202 ? 39.377 24.732 -0.564 1.00 5.32 ? 202 PRO A O 1 -ATOM 1521 C CB . PRO A 1 202 ? 38.862 25.245 -3.573 1.00 5.25 ? 202 PRO A CB 1 -ATOM 1522 C CG . PRO A 1 202 ? 38.225 23.919 -3.301 1.00 5.22 ? 202 PRO A CG 1 -ATOM 1523 C CD . PRO A 1 202 ? 39.381 22.952 -3.369 1.00 5.17 ? 202 PRO A CD 1 -ATOM 1524 N N . ALA A 1 203 ? 40.535 26.630 -0.864 1.00 5.57 ? 203 ALA A N 1 -ATOM 1525 C CA . ALA A 1 203 ? 40.425 26.987 0.540 1.00 6.10 ? 203 ALA A CA 1 -ATOM 1526 C C . ALA A 1 203 ? 40.235 28.474 0.763 1.00 6.49 ? 203 ALA A C 1 -ATOM 1527 O O . ALA A 1 203 ? 40.734 29.299 -0.003 1.00 6.28 ? 203 ALA A O 1 -ATOM 1528 C CB . ALA A 1 203 ? 41.666 26.504 1.294 1.00 6.05 ? 203 ALA A CB 1 -ATOM 1529 N N . GLY A 1 204 ? 39.499 28.799 1.822 1.00 7.12 ? 204 GLY A N 1 -ATOM 1530 C CA . GLY A 1 204 ? 39.251 30.183 2.174 1.00 8.32 ? 204 GLY A CA 1 -ATOM 1531 C C . GLY A 1 204 ? 38.066 30.822 1.482 1.00 8.85 ? 204 GLY A C 1 -ATOM 1532 O O . GLY A 1 204 ? 37.999 30.866 0.254 1.00 8.98 ? 204 GLY A O 1 -ATOM 1533 N N . GLY A 1 205 ? 37.124 31.314 2.282 1.00 9.54 ? 205 GLY A N 1 -ATOM 1534 C CA . GLY A 1 205 ? 35.952 31.974 1.736 1.00 10.35 ? 205 GLY A CA 1 -ATOM 1535 C C . GLY A 1 205 ? 34.881 31.097 1.113 1.00 10.78 ? 205 GLY A C 1 -ATOM 1536 O O . GLY A 1 205 ? 33.879 31.619 0.631 1.00 11.23 ? 205 GLY A O 1 -ATOM 1537 N N . VAL A 1 206 ? 35.077 29.781 1.103 1.00 11.05 ? 206 VAL A N 1 -ATOM 1538 C CA . VAL A 1 206 ? 34.077 28.878 0.532 1.00 11.47 ? 206 VAL A CA 1 -ATOM 1539 C C . VAL A 1 206 ? 33.012 28.709 1.611 1.00 11.75 ? 206 VAL A C 1 -ATOM 1540 O O . VAL A 1 206 ? 33.163 27.903 2.532 1.00 11.93 ? 206 VAL A O 1 -ATOM 1541 C CB . VAL A 1 206 ? 34.700 27.509 0.173 1.00 11.32 ? 206 VAL A CB 1 -ATOM 1542 C CG1 . VAL A 1 206 ? 33.675 26.637 -0.539 1.00 11.60 ? 206 VAL A CG1 1 -ATOM 1543 C CG2 . VAL A 1 206 ? 35.931 27.717 -0.704 1.00 11.45 ? 206 VAL A CG2 1 -ATOM 1544 N N . ARG A 1 207 ? 31.926 29.466 1.484 1.00 12.11 ? 207 ARG A N 1 -ATOM 1545 C CA . ARG A 1 207 ? 30.876 29.467 2.495 1.00 12.39 ? 207 ARG A CA 1 -ATOM 1546 C C . ARG A 1 207 ? 29.547 28.778 2.206 1.00 11.89 ? 207 ARG A C 1 -ATOM 1547 O O . ARG A 1 207 ? 28.864 28.370 3.143 1.00 11.88 ? 207 ARG A O 1 -ATOM 1548 C CB . ARG A 1 207 ? 30.576 30.917 2.901 1.00 13.46 ? 207 ARG A CB 1 -ATOM 1549 C CG . ARG A 1 207 ? 31.809 31.768 3.185 1.00 14.82 ? 207 ARG A CG 1 -ATOM 1550 C CD . ARG A 1 207 ? 31.426 33.193 3.572 1.00 16.06 ? 207 ARG A CD 1 -ATOM 1551 N NE . ARG A 1 207 ? 32.593 34.061 3.736 1.00 17.22 ? 207 ARG A NE 1 -ATOM 1552 C CZ . ARG A 1 207 ? 33.389 34.456 2.744 1.00 17.71 ? 207 ARG A CZ 1 -ATOM 1553 N NH1 . ARG A 1 207 ? 33.155 34.066 1.496 1.00 17.85 ? 207 ARG A NH1 1 -ATOM 1554 N NH2 . ARG A 1 207 ? 34.424 35.247 3.001 1.00 18.22 ? 207 ARG A NH2 1 -ATOM 1555 N N . THR A 1 208 ? 29.168 28.641 0.940 1.00 11.47 ? 208 THR A N 1 -ATOM 1556 C CA . THR A 1 208 ? 27.869 28.046 0.633 1.00 11.20 ? 208 THR A CA 1 -ATOM 1557 C C . THR A 1 208 ? 27.860 26.746 -0.154 1.00 10.96 ? 208 THR A C 1 -ATOM 1558 O O . THR A 1 208 ? 28.816 26.409 -0.854 1.00 10.56 ? 208 THR A O 1 -ATOM 1559 C CB . THR A 1 208 ? 26.986 29.034 -0.145 1.00 11.24 ? 208 THR A CB 1 -ATOM 1560 O OG1 . THR A 1 208 ? 27.459 29.130 -1.493 1.00 11.40 ? 208 THR A OG1 1 -ATOM 1561 C CG2 . THR A 1 208 ? 27.027 30.412 0.501 1.00 11.34 ? 208 THR A CG2 1 -ATOM 1562 N N . ALA A 1 209 ? 26.746 26.028 -0.039 1.00 10.69 ? 209 ALA A N 1 -ATOM 1563 C CA . ALA A 1 209 ? 26.557 24.772 -0.745 1.00 10.66 ? 209 ALA A CA 1 -ATOM 1564 C C . ALA A 1 209 ? 26.647 25.050 -2.240 1.00 10.71 ? 209 ALA A C 1 -ATOM 1565 O O . ALA A 1 209 ? 27.169 24.241 -3.006 1.00 10.30 ? 209 ALA A O 1 -ATOM 1566 C CB . ALA A 1 209 ? 25.196 24.181 -0.401 1.00 10.70 ? 209 ALA A CB 1 -ATOM 1567 N N . GLU A 1 210 ? 26.128 26.202 -2.655 1.00 10.97 ? 210 GLU A N 1 -ATOM 1568 C CA . GLU A 1 210 ? 26.168 26.581 -4.059 1.00 11.38 ? 210 GLU A CA 1 -ATOM 1569 C C . GLU A 1 210 ? 27.616 26.718 -4.524 1.00 11.20 ? 210 GLU A C 1 -ATOM 1570 O O . GLU A 1 210 ? 27.965 26.284 -5.627 1.00 11.22 ? 210 GLU A O 1 -ATOM 1571 C CB . GLU A 1 210 ? 25.422 27.899 -4.281 1.00 12.09 ? 210 GLU A CB 1 -ATOM 1572 C CG . GLU A 1 210 ? 23.903 27.821 -4.149 1.00 13.40 ? 210 GLU A CG 1 -ATOM 1573 C CD . GLU A 1 210 ? 23.425 27.580 -2.728 1.00 13.90 ? 210 GLU A CD 1 -ATOM 1574 O OE1 . GLU A 1 210 ? 24.142 27.957 -1.778 1.00 14.43 ? 210 GLU A OE1 1 -ATOM 1575 O OE2 . GLU A 1 210 ? 22.313 27.033 -2.559 1.00 14.92 ? 210 GLU A OE2 1 -ATOM 1576 N N . ASP A 1 211 ? 28.458 27.320 -3.684 1.00 11.11 ? 211 ASP A N 1 -ATOM 1577 C CA . ASP A 1 211 ? 29.871 27.487 -4.020 1.00 11.00 ? 211 ASP A CA 1 -ATOM 1578 C C . ASP A 1 211 ? 30.526 26.125 -4.206 1.00 10.51 ? 211 ASP A C 1 -ATOM 1579 O O . ASP A 1 211 ? 31.195 25.878 -5.205 1.00 10.04 ? 211 ASP A O 1 -ATOM 1580 C CB . ASP A 1 211 ? 30.635 28.223 -2.913 1.00 12.04 ? 211 ASP A CB 1 -ATOM 1581 C CG . ASP A 1 211 ? 30.176 29.649 -2.720 1.00 13.00 ? 211 ASP A CG 1 -ATOM 1582 O OD1 . ASP A 1 211 ? 29.843 30.315 -3.722 1.00 13.92 ? 211 ASP A OD1 1 -ATOM 1583 O OD2 . ASP A 1 211 ? 30.174 30.111 -1.557 1.00 13.90 ? 211 ASP A OD2 1 -ATOM 1584 N N . ALA A 1 212 ? 30.337 25.250 -3.223 1.00 9.95 ? 212 ALA A N 1 -ATOM 1585 C CA . ALA A 1 212 ? 30.917 23.912 -3.263 1.00 9.72 ? 212 ALA A CA 1 -ATOM 1586 C C . ALA A 1 212 ? 30.530 23.179 -4.537 1.00 9.54 ? 212 ALA A C 1 -ATOM 1587 O O . ALA A 1 212 ? 31.353 22.499 -5.149 1.00 9.19 ? 212 ALA A O 1 -ATOM 1588 C CB . ALA A 1 212 ? 30.470 23.111 -2.042 1.00 9.71 ? 212 ALA A CB 1 -ATOM 1589 N N . GLN A 1 213 ? 29.271 23.318 -4.936 1.00 9.54 ? 213 GLN A N 1 -ATOM 1590 C CA . GLN A 1 213 ? 28.783 22.665 -6.140 1.00 9.71 ? 213 GLN A CA 1 -ATOM 1591 C C . GLN A 1 213 ? 29.575 23.114 -7.365 1.00 9.72 ? 213 GLN A C 1 -ATOM 1592 O O . GLN A 1 213 ? 29.931 22.298 -8.217 1.00 9.65 ? 213 GLN A O 1 -ATOM 1593 C CB . GLN A 1 213 ? 27.298 22.972 -6.331 1.00 9.98 ? 213 GLN A CB 1 -ATOM 1594 C CG . GLN A 1 213 ? 26.685 22.340 -7.561 1.00 10.92 ? 213 GLN A CG 1 -ATOM 1595 C CD . GLN A 1 213 ? 25.197 22.597 -7.653 1.00 11.53 ? 213 GLN A CD 1 -ATOM 1596 O OE1 . GLN A 1 213 ? 24.746 23.735 -7.541 1.00 12.16 ? 213 GLN A OE1 1 -ATOM 1597 N NE2 . GLN A 1 213 ? 24.425 21.536 -7.857 1.00 12.06 ? 213 GLN A NE2 1 -ATOM 1598 N N . LYS A 1 214 ? 29.848 24.412 -7.450 1.00 9.82 ? 214 LYS A N 1 -ATOM 1599 C CA . LYS A 1 214 ? 30.603 24.969 -8.569 1.00 10.08 ? 214 LYS A CA 1 -ATOM 1600 C C . LYS A 1 214 ? 32.027 24.419 -8.611 1.00 9.46 ? 214 LYS A C 1 -ATOM 1601 O O . LYS A 1 214 ? 32.521 24.040 -9.671 1.00 9.64 ? 214 LYS A O 1 -ATOM 1602 C CB . LYS A 1 214 ? 30.651 26.498 -8.472 1.00 11.17 ? 214 LYS A CB 1 -ATOM 1603 C CG . LYS A 1 214 ? 29.298 27.176 -8.584 1.00 12.82 ? 214 LYS A CG 1 -ATOM 1604 C CD . LYS A 1 214 ? 29.441 28.691 -8.539 1.00 14.02 ? 214 LYS A CD 1 -ATOM 1605 C CE . LYS A 1 214 ? 28.093 29.384 -8.686 1.00 14.89 ? 214 LYS A CE 1 -ATOM 1606 N NZ . LYS A 1 214 ? 27.154 29.014 -7.587 1.00 15.78 ? 214 LYS A NZ 1 -ATOM 1607 N N . TYR A 1 215 ? 32.687 24.378 -7.457 1.00 8.79 ? 215 TYR A N 1 -ATOM 1608 C CA . TYR A 1 215 ? 34.050 23.870 -7.398 1.00 8.28 ? 215 TYR A CA 1 -ATOM 1609 C C . TYR A 1 215 ? 34.131 22.403 -7.811 1.00 8.09 ? 215 TYR A C 1 -ATOM 1610 O O . TYR A 1 215 ? 35.042 22.006 -8.536 1.00 7.97 ? 215 TYR A O 1 -ATOM 1611 C CB . TYR A 1 215 ? 34.621 24.071 -5.989 1.00 7.93 ? 215 TYR A CB 1 -ATOM 1612 C CG . TYR A 1 215 ? 35.044 25.499 -5.721 1.00 7.47 ? 215 TYR A CG 1 -ATOM 1613 C CD1 . TYR A 1 215 ? 36.144 26.049 -6.374 1.00 7.30 ? 215 TYR A CD1 1 -ATOM 1614 C CD2 . TYR A 1 215 ? 34.321 26.313 -4.851 1.00 7.46 ? 215 TYR A CD2 1 -ATOM 1615 C CE1 . TYR A 1 215 ? 36.516 27.377 -6.174 1.00 7.42 ? 215 TYR A CE1 1 -ATOM 1616 C CE2 . TYR A 1 215 ? 34.683 27.646 -4.643 1.00 7.48 ? 215 TYR A CE2 1 -ATOM 1617 C CZ . TYR A 1 215 ? 35.781 28.169 -5.311 1.00 7.41 ? 215 TYR A CZ 1 -ATOM 1618 O OH . TYR A 1 215 ? 36.134 29.487 -5.138 1.00 7.73 ? 215 TYR A OH 1 -ATOM 1619 N N . LEU A 1 216 ? 33.176 21.599 -7.362 1.00 7.94 ? 216 LEU A N 1 -ATOM 1620 C CA . LEU A 1 216 ? 33.177 20.188 -7.727 1.00 7.97 ? 216 LEU A CA 1 -ATOM 1621 C C . LEU A 1 216 ? 32.859 20.009 -9.204 1.00 8.02 ? 216 LEU A C 1 -ATOM 1622 O O . LEU A 1 216 ? 33.350 19.080 -9.840 1.00 7.97 ? 216 LEU A O 1 -ATOM 1623 C CB . LEU A 1 216 ? 32.168 19.410 -6.881 1.00 7.99 ? 216 LEU A CB 1 -ATOM 1624 C CG . LEU A 1 216 ? 32.631 19.099 -5.456 1.00 8.22 ? 216 LEU A CG 1 -ATOM 1625 C CD1 . LEU A 1 216 ? 31.492 18.500 -4.659 1.00 8.51 ? 216 LEU A CD1 1 -ATOM 1626 C CD2 . LEU A 1 216 ? 33.816 18.143 -5.507 1.00 8.24 ? 216 LEU A CD2 1 -ATOM 1627 N N . ALA A 1 217 ? 32.045 20.903 -9.756 1.00 8.16 ? 217 ALA A N 1 -ATOM 1628 C CA . ALA A 1 217 ? 31.687 20.818 -11.167 1.00 8.32 ? 217 ALA A CA 1 -ATOM 1629 C C . ALA A 1 217 ? 32.921 20.955 -12.061 1.00 8.36 ? 217 ALA A C 1 -ATOM 1630 O O . ALA A 1 217 ? 33.012 20.312 -13.109 1.00 8.59 ? 217 ALA A O 1 -ATOM 1631 C CB . ALA A 1 217 ? 30.659 21.890 -11.516 1.00 8.61 ? 217 ALA A CB 1 -ATOM 1632 N N . ILE A 1 218 ? 33.870 21.792 -11.650 1.00 8.33 ? 218 ILE A N 1 -ATOM 1633 C CA . ILE A 1 218 ? 35.096 21.986 -12.422 1.00 8.48 ? 218 ILE A CA 1 -ATOM 1634 C C . ILE A 1 218 ? 35.898 20.685 -12.450 1.00 8.36 ? 218 ILE A C 1 -ATOM 1635 O O . ILE A 1 218 ? 36.428 20.289 -13.490 1.00 8.40 ? 218 ILE A O 1 -ATOM 1636 C CB . ILE A 1 218 ? 35.984 23.097 -11.810 1.00 8.64 ? 218 ILE A CB 1 -ATOM 1637 C CG1 . ILE A 1 218 ? 35.223 24.426 -11.789 1.00 8.80 ? 218 ILE A CG1 1 -ATOM 1638 C CG2 . ILE A 1 218 ? 37.273 23.240 -12.615 1.00 8.68 ? 218 ILE A CG2 1 -ATOM 1639 C CD1 . ILE A 1 218 ? 35.959 25.537 -11.066 1.00 9.19 ? 218 ILE A CD1 1 -ATOM 1640 N N . ALA A 1 219 ? 35.989 20.030 -11.298 1.00 8.34 ? 219 ALA A N 1 -ATOM 1641 C CA . ALA A 1 219 ? 36.719 18.776 -11.187 1.00 8.37 ? 219 ALA A CA 1 -ATOM 1642 C C . ALA A 1 219 ? 36.086 17.700 -12.061 1.00 8.56 ? 219 ALA A C 1 -ATOM 1643 O O . ALA A 1 219 ? 36.784 16.977 -12.774 1.00 8.34 ? 219 ALA A O 1 -ATOM 1644 C CB . ALA A 1 219 ? 36.748 18.318 -9.736 1.00 8.25 ? 219 ALA A CB 1 -ATOM 1645 N N . ASP A 1 220 ? 34.762 17.595 -12.002 1.00 8.81 ? 220 ASP A N 1 -ATOM 1646 C CA . ASP A 1 220 ? 34.052 16.598 -12.796 1.00 9.46 ? 220 ASP A CA 1 -ATOM 1647 C C . ASP A 1 220 ? 34.263 16.844 -14.286 1.00 9.76 ? 220 ASP A C 1 -ATOM 1648 O O . ASP A 1 220 ? 34.439 15.904 -15.055 1.00 9.68 ? 220 ASP A O 1 -ATOM 1649 C CB . ASP A 1 220 ? 32.551 16.628 -12.488 1.00 9.66 ? 220 ASP A CB 1 -ATOM 1650 C CG . ASP A 1 220 ? 32.229 16.185 -11.068 1.00 10.02 ? 220 ASP A CG 1 -ATOM 1651 O OD1 . ASP A 1 220 ? 33.125 15.655 -10.379 1.00 10.40 ? 220 ASP A OD1 1 -ATOM 1652 O OD2 . ASP A 1 220 ? 31.067 16.362 -10.640 1.00 10.25 ? 220 ASP A OD2 1 -ATOM 1653 N N . GLU A 1 221 ? 34.247 18.111 -14.684 1.00 10.13 ? 221 GLU A N 1 -ATOM 1654 C CA . GLU A 1 221 ? 34.426 18.485 -16.083 1.00 10.80 ? 221 GLU A CA 1 -ATOM 1655 C C . GLU A 1 221 ? 35.803 18.109 -16.608 1.00 10.80 ? 221 GLU A C 1 -ATOM 1656 O O . GLU A 1 221 ? 35.932 17.537 -17.689 1.00 10.81 ? 221 GLU A O 1 -ATOM 1657 C CB . GLU A 1 221 ? 34.225 19.993 -16.246 1.00 11.43 ? 221 GLU A CB 1 -ATOM 1658 C CG . GLU A 1 221 ? 34.411 20.514 -17.664 1.00 12.87 ? 221 GLU A CG 1 -ATOM 1659 C CD . GLU A 1 221 ? 34.477 22.030 -17.719 1.00 13.53 ? 221 GLU A CD 1 -ATOM 1660 O OE1 . GLU A 1 221 ? 33.589 22.689 -17.140 1.00 14.81 ? 221 GLU A OE1 1 -ATOM 1661 O OE2 . GLU A 1 221 ? 35.417 22.566 -18.343 1.00 14.47 ? 221 GLU A OE2 1 -ATOM 1662 N N . LEU A 1 222 ? 36.833 18.430 -15.833 1.00 10.73 ? 222 LEU A N 1 -ATOM 1663 C CA . LEU A 1 222 ? 38.204 18.158 -16.239 1.00 10.85 ? 222 LEU A CA 1 -ATOM 1664 C C . LEU A 1 222 ? 38.691 16.726 -16.075 1.00 10.83 ? 222 LEU A C 1 -ATOM 1665 O O . LEU A 1 222 ? 39.459 16.240 -16.903 1.00 11.08 ? 222 LEU A O 1 -ATOM 1666 C CB . LEU A 1 222 ? 39.163 19.083 -15.484 1.00 11.15 ? 222 LEU A CB 1 -ATOM 1667 C CG . LEU A 1 222 ? 39.055 20.587 -15.743 1.00 11.69 ? 222 LEU A CG 1 -ATOM 1668 C CD1 . LEU A 1 222 ? 40.051 21.320 -14.858 1.00 11.91 ? 222 LEU A CD1 1 -ATOM 1669 C CD2 . LEU A 1 222 ? 39.327 20.881 -17.207 1.00 12.22 ? 222 LEU A CD2 1 -ATOM 1670 N N . PHE A 1 223 ? 38.246 16.043 -15.027 1.00 10.69 ? 223 PHE A N 1 -ATOM 1671 C CA . PHE A 1 223 ? 38.727 14.691 -14.770 1.00 10.72 ? 223 PHE A CA 1 -ATOM 1672 C C . PHE A 1 223 ? 37.706 13.560 -14.725 1.00 10.88 ? 223 PHE A C 1 -ATOM 1673 O O . PHE A 1 223 ? 38.080 12.399 -14.568 1.00 11.05 ? 223 PHE A O 1 -ATOM 1674 C CB . PHE A 1 223 ? 39.517 14.699 -13.461 1.00 10.34 ? 223 PHE A CB 1 -ATOM 1675 C CG . PHE A 1 223 ? 40.629 15.711 -13.434 1.00 10.03 ? 223 PHE A CG 1 -ATOM 1676 C CD1 . PHE A 1 223 ? 41.705 15.606 -14.309 1.00 10.03 ? 223 PHE A CD1 1 -ATOM 1677 C CD2 . PHE A 1 223 ? 40.598 16.774 -12.538 1.00 10.17 ? 223 PHE A CD2 1 -ATOM 1678 C CE1 . PHE A 1 223 ? 42.733 16.542 -14.291 1.00 10.13 ? 223 PHE A CE1 1 -ATOM 1679 C CE2 . PHE A 1 223 ? 41.623 17.716 -12.515 1.00 10.17 ? 223 PHE A CE2 1 -ATOM 1680 C CZ . PHE A 1 223 ? 42.690 17.598 -13.392 1.00 10.11 ? 223 PHE A CZ 1 -ATOM 1681 N N . GLY A 1 224 ? 36.427 13.884 -14.863 1.00 11.25 ? 224 GLY A N 1 -ATOM 1682 C CA . GLY A 1 224 ? 35.411 12.849 -14.802 1.00 11.66 ? 224 GLY A CA 1 -ATOM 1683 C C . GLY A 1 224 ? 34.783 12.840 -13.422 1.00 12.06 ? 224 GLY A C 1 -ATOM 1684 O O . GLY A 1 224 ? 35.436 13.177 -12.435 1.00 11.91 ? 224 GLY A O 1 -ATOM 1685 N N . ALA A 1 225 ? 33.521 12.438 -13.347 1.00 12.46 ? 225 ALA A N 1 -ATOM 1686 C CA . ALA A 1 225 ? 32.787 12.419 -12.087 1.00 12.85 ? 225 ALA A CA 1 -ATOM 1687 C C . ALA A 1 225 ? 33.359 11.558 -10.958 1.00 13.04 ? 225 ALA A C 1 -ATOM 1688 O O . ALA A 1 225 ? 33.047 11.792 -9.791 1.00 13.29 ? 225 ALA A O 1 -ATOM 1689 C CB . ALA A 1 225 ? 31.332 12.018 -12.353 1.00 13.07 ? 225 ALA A CB 1 -ATOM 1690 N N . ASP A 1 226 ? 34.196 10.578 -11.281 1.00 13.18 ? 226 ASP A N 1 -ATOM 1691 C CA . ASP A 1 226 ? 34.744 9.704 -10.244 1.00 13.36 ? 226 ASP A CA 1 -ATOM 1692 C C . ASP A 1 226 ? 36.109 10.094 -9.685 1.00 12.73 ? 226 ASP A C 1 -ATOM 1693 O O . ASP A 1 226 ? 36.600 9.462 -8.749 1.00 13.08 ? 226 ASP A O 1 -ATOM 1694 C CB . ASP A 1 226 ? 34.829 8.266 -10.759 1.00 14.61 ? 226 ASP A CB 1 -ATOM 1695 C CG . ASP A 1 226 ? 33.492 7.732 -11.223 1.00 15.56 ? 226 ASP A CG 1 -ATOM 1696 O OD1 . ASP A 1 226 ? 32.510 7.826 -10.455 1.00 16.57 ? 226 ASP A OD1 1 -ATOM 1697 O OD2 . ASP A 1 226 ? 33.427 7.210 -12.356 1.00 16.67 ? 226 ASP A OD2 1 -ATOM 1698 N N . TRP A 1 227 ? 36.716 11.134 -10.241 1.00 11.76 ? 227 TRP A N 1 -ATOM 1699 C CA . TRP A 1 227 ? 38.039 11.560 -9.800 1.00 10.94 ? 227 TRP A CA 1 -ATOM 1700 C C . TRP A 1 227 ? 38.139 12.179 -8.406 1.00 10.49 ? 227 TRP A C 1 -ATOM 1701 O O . TRP A 1 227 ? 39.052 11.861 -7.649 1.00 10.41 ? 227 TRP A O 1 -ATOM 1702 C CB . TRP A 1 227 ? 38.624 12.549 -10.808 1.00 10.58 ? 227 TRP A CB 1 -ATOM 1703 C CG . TRP A 1 227 ? 40.011 12.992 -10.457 1.00 10.16 ? 227 TRP A CG 1 -ATOM 1704 C CD1 . TRP A 1 227 ? 41.164 12.279 -10.615 1.00 10.18 ? 227 TRP A CD1 1 -ATOM 1705 C CD2 . TRP A 1 227 ? 40.389 14.235 -9.851 1.00 9.88 ? 227 TRP A CD2 1 -ATOM 1706 N NE1 . TRP A 1 227 ? 42.236 12.999 -10.146 1.00 10.06 ? 227 TRP A NE1 1 -ATOM 1707 C CE2 . TRP A 1 227 ? 41.790 14.203 -9.671 1.00 9.98 ? 227 TRP A CE2 1 -ATOM 1708 C CE3 . TRP A 1 227 ? 39.680 15.370 -9.440 1.00 9.95 ? 227 TRP A CE3 1 -ATOM 1709 C CZ2 . TRP A 1 227 ? 42.498 15.266 -9.101 1.00 9.80 ? 227 TRP A CZ2 1 -ATOM 1710 C CZ3 . TRP A 1 227 ? 40.384 16.426 -8.871 1.00 9.75 ? 227 TRP A CZ3 1 -ATOM 1711 C CH2 . TRP A 1 227 ? 41.780 16.366 -8.708 1.00 9.86 ? 227 TRP A CH2 1 -ATOM 1712 N N . ALA A 1 228 ? 37.198 13.053 -8.064 1.00 10.02 ? 228 ALA A N 1 -ATOM 1713 C CA . ALA A 1 228 ? 37.239 13.762 -6.789 1.00 9.63 ? 228 ALA A CA 1 -ATOM 1714 C C . ALA A 1 228 ? 36.955 13.018 -5.486 1.00 9.44 ? 228 ALA A C 1 -ATOM 1715 O O . ALA A 1 228 ? 35.979 13.323 -4.800 1.00 9.53 ? 228 ALA A O 1 -ATOM 1716 C CB . ALA A 1 228 ? 36.345 14.995 -6.875 1.00 9.70 ? 228 ALA A CB 1 -ATOM 1717 N N . ASP A 1 229 ? 37.808 12.060 -5.133 1.00 9.04 ? 229 ASP A N 1 -ATOM 1718 C CA . ASP A 1 229 ? 37.647 11.335 -3.875 1.00 8.48 ? 229 ASP A CA 1 -ATOM 1719 C C . ASP A 1 229 ? 38.520 12.034 -2.822 1.00 8.05 ? 229 ASP A C 1 -ATOM 1720 O O . ASP A 1 229 ? 39.164 13.042 -3.122 1.00 7.80 ? 229 ASP A O 1 -ATOM 1721 C CB . ASP A 1 229 ? 38.039 9.855 -4.023 1.00 8.81 ? 229 ASP A CB 1 -ATOM 1722 C CG . ASP A 1 229 ? 39.429 9.659 -4.593 1.00 9.29 ? 229 ASP A CG 1 -ATOM 1723 O OD1 . ASP A 1 229 ? 40.301 10.521 -4.376 1.00 9.27 ? 229 ASP A OD1 1 -ATOM 1724 O OD2 . ASP A 1 229 ? 39.656 8.619 -5.250 1.00 9.97 ? 229 ASP A OD2 1 -ATOM 1725 N N . ALA A 1 230 ? 38.544 11.508 -1.600 1.00 7.53 ? 230 ALA A N 1 -ATOM 1726 C CA . ALA A 1 230 ? 39.313 12.127 -0.519 1.00 7.26 ? 230 ALA A CA 1 -ATOM 1727 C C . ALA A 1 230 ? 40.803 12.300 -0.796 1.00 6.87 ? 230 ALA A C 1 -ATOM 1728 O O . ALA A 1 230 ? 41.423 13.236 -0.289 1.00 6.97 ? 230 ALA A O 1 -ATOM 1729 C CB . ALA A 1 230 ? 39.113 11.345 0.772 1.00 7.47 ? 230 ALA A CB 1 -ATOM 1730 N N . ARG A 1 231 ? 41.392 11.410 -1.587 1.00 6.48 ? 231 ARG A N 1 -ATOM 1731 C CA . ARG A 1 231 ? 42.812 11.526 -1.892 1.00 6.24 ? 231 ARG A CA 1 -ATOM 1732 C C . ARG A 1 231 ? 43.077 12.595 -2.945 1.00 6.11 ? 231 ARG A C 1 -ATOM 1733 O O . ARG A 1 231 ? 44.204 13.073 -3.079 1.00 6.13 ? 231 ARG A O 1 -ATOM 1734 C CB . ARG A 1 231 ? 43.370 10.180 -2.380 1.00 6.34 ? 231 ARG A CB 1 -ATOM 1735 C CG . ARG A 1 231 ? 44.809 10.235 -2.937 1.00 6.20 ? 231 ARG A CG 1 -ATOM 1736 C CD . ARG A 1 231 ? 45.825 10.661 -1.877 1.00 6.84 ? 231 ARG A CD 1 -ATOM 1737 N NE . ARG A 1 231 ? 47.192 10.746 -2.396 1.00 6.72 ? 231 ARG A NE 1 -ATOM 1738 C CZ . ARG A 1 231 ? 47.698 11.792 -3.046 1.00 6.50 ? 231 ARG A CZ 1 -ATOM 1739 N NH1 . ARG A 1 231 ? 46.958 12.869 -3.267 1.00 6.63 ? 231 ARG A NH1 1 -ATOM 1740 N NH2 . ARG A 1 231 ? 48.952 11.762 -3.476 1.00 6.60 ? 231 ARG A NH2 1 -ATOM 1741 N N . HIS A 1 232 ? 42.043 12.996 -3.678 1.00 5.98 ? 232 HIS A N 1 -ATOM 1742 C CA . HIS A 1 232 ? 42.240 13.979 -4.734 1.00 5.98 ? 232 HIS A CA 1 -ATOM 1743 C C . HIS A 1 232 ? 41.507 15.303 -4.624 1.00 5.60 ? 232 HIS A C 1 -ATOM 1744 O O . HIS A 1 232 ? 41.735 16.197 -5.442 1.00 5.43 ? 232 HIS A O 1 -ATOM 1745 C CB . HIS A 1 232 ? 41.919 13.342 -6.088 1.00 6.53 ? 232 HIS A CB 1 -ATOM 1746 C CG . HIS A 1 232 ? 42.775 12.156 -6.404 1.00 7.04 ? 232 HIS A CG 1 -ATOM 1747 N ND1 . HIS A 1 232 ? 42.513 10.894 -5.913 1.00 7.10 ? 232 HIS A ND1 1 -ATOM 1748 C CD2 . HIS A 1 232 ? 43.927 12.053 -7.106 1.00 7.19 ? 232 HIS A CD2 1 -ATOM 1749 C CE1 . HIS A 1 232 ? 43.467 10.067 -6.298 1.00 7.28 ? 232 HIS A CE1 1 -ATOM 1750 N NE2 . HIS A 1 232 ? 44.339 10.745 -7.022 1.00 7.27 ? 232 HIS A NE2 1 -ATOM 1751 N N . TYR A 1 233 ? 40.645 15.448 -3.623 1.00 5.29 ? 233 TYR A N 1 -ATOM 1752 C CA . TYR A 1 233 ? 39.907 16.691 -3.482 1.00 5.16 ? 233 TYR A CA 1 -ATOM 1753 C C . TYR A 1 233 ? 39.512 16.945 -2.038 1.00 4.89 ? 233 TYR A C 1 -ATOM 1754 O O . TYR A 1 233 ? 39.110 16.027 -1.332 1.00 4.98 ? 233 TYR A O 1 -ATOM 1755 C CB . TYR A 1 233 ? 38.649 16.642 -4.358 1.00 5.59 ? 233 TYR A CB 1 -ATOM 1756 C CG . TYR A 1 233 ? 38.141 18.003 -4.762 1.00 5.66 ? 233 TYR A CG 1 -ATOM 1757 C CD1 . TYR A 1 233 ? 37.449 18.813 -3.860 1.00 6.02 ? 233 TYR A CD1 1 -ATOM 1758 C CD2 . TYR A 1 233 ? 38.400 18.505 -6.037 1.00 5.97 ? 233 TYR A CD2 1 -ATOM 1759 C CE1 . TYR A 1 233 ? 37.034 20.092 -4.219 1.00 6.29 ? 233 TYR A CE1 1 -ATOM 1760 C CE2 . TYR A 1 233 ? 37.991 19.780 -6.406 1.00 6.20 ? 233 TYR A CE2 1 -ATOM 1761 C CZ . TYR A 1 233 ? 37.311 20.569 -5.493 1.00 6.32 ? 233 TYR A CZ 1 -ATOM 1762 O OH . TYR A 1 233 ? 36.920 21.840 -5.845 1.00 7.53 ? 233 TYR A OH 1 -ATOM 1763 N N . ARG A 1 234 ? 39.656 18.193 -1.600 1.00 4.92 ? 234 ARG A N 1 -ATOM 1764 C CA . ARG A 1 234 ? 39.268 18.590 -0.248 1.00 4.92 ? 234 ARG A CA 1 -ATOM 1765 C C . ARG A 1 234 ? 38.800 20.031 -0.253 1.00 5.02 ? 234 ARG A C 1 -ATOM 1766 O O . ARG A 1 234 ? 39.276 20.848 -1.044 1.00 5.05 ? 234 ARG A O 1 -ATOM 1767 C CB . ARG A 1 234 ? 40.434 18.519 0.742 1.00 5.06 ? 234 ARG A CB 1 -ATOM 1768 C CG . ARG A 1 234 ? 41.071 17.171 0.921 1.00 4.85 ? 234 ARG A CG 1 -ATOM 1769 C CD . ARG A 1 234 ? 40.203 16.157 1.644 1.00 5.13 ? 234 ARG A CD 1 -ATOM 1770 N NE . ARG A 1 234 ? 40.986 14.935 1.740 1.00 5.20 ? 234 ARG A NE 1 -ATOM 1771 C CZ . ARG A 1 234 ? 41.974 14.751 2.606 1.00 5.53 ? 234 ARG A CZ 1 -ATOM 1772 N NH1 . ARG A 1 234 ? 42.284 15.696 3.487 1.00 5.51 ? 234 ARG A NH1 1 -ATOM 1773 N NH2 . ARG A 1 234 ? 42.720 13.662 2.525 1.00 5.72 ? 234 ARG A NH2 1 -ATOM 1774 N N . PHE A 1 235 ? 37.875 20.339 0.645 1.00 5.10 ? 235 PHE A N 1 -ATOM 1775 C CA . PHE A 1 235 ? 37.388 21.701 0.798 1.00 5.53 ? 235 PHE A CA 1 -ATOM 1776 C C . PHE A 1 235 ? 37.972 22.255 2.095 1.00 5.72 ? 235 PHE A C 1 -ATOM 1777 O O . PHE A 1 235 ? 37.716 21.719 3.172 1.00 6.09 ? 235 PHE A O 1 -ATOM 1778 C CB . PHE A 1 235 ? 35.859 21.724 0.886 1.00 5.73 ? 235 PHE A CB 1 -ATOM 1779 C CG . PHE A 1 235 ? 35.173 21.736 -0.451 1.00 5.96 ? 235 PHE A CG 1 -ATOM 1780 C CD1 . PHE A 1 235 ? 35.170 22.886 -1.234 1.00 6.03 ? 235 PHE A CD1 1 -ATOM 1781 C CD2 . PHE A 1 235 ? 34.553 20.593 -0.937 1.00 6.25 ? 235 PHE A CD2 1 -ATOM 1782 C CE1 . PHE A 1 235 ? 34.559 22.895 -2.484 1.00 5.93 ? 235 PHE A CE1 1 -ATOM 1783 C CE2 . PHE A 1 235 ? 33.939 20.593 -2.187 1.00 6.16 ? 235 PHE A CE2 1 -ATOM 1784 C CZ . PHE A 1 235 ? 33.943 21.742 -2.959 1.00 5.77 ? 235 PHE A CZ 1 -ATOM 1785 N N . GLY A 1 236 ? 38.779 23.305 1.989 1.00 5.85 ? 236 GLY A N 1 -ATOM 1786 C CA . GLY A 1 236 ? 39.325 23.926 3.183 1.00 6.48 ? 236 GLY A CA 1 -ATOM 1787 C C . GLY A 1 236 ? 38.265 24.929 3.593 1.00 6.85 ? 236 GLY A C 1 -ATOM 1788 O O . GLY A 1 236 ? 38.181 26.011 3.011 1.00 6.98 ? 236 GLY A O 1 -ATOM 1789 N N . ALA A 1 237 ? 37.446 24.579 4.581 1.00 7.54 ? 237 ALA A N 1 -ATOM 1790 C CA . ALA A 1 237 ? 36.367 25.464 4.996 1.00 8.16 ? 237 ALA A CA 1 -ATOM 1791 C C . ALA A 1 237 ? 35.893 25.233 6.421 1.00 8.84 ? 237 ALA A C 1 -ATOM 1792 O O . ALA A 1 237 ? 36.319 24.300 7.095 1.00 8.77 ? 237 ALA A O 1 -ATOM 1793 C CB . ALA A 1 237 ? 35.190 25.313 4.033 1.00 8.32 ? 237 ALA A CB 1 -ATOM 1794 N N . SER A 1 238 ? 34.979 26.092 6.861 1.00 9.77 ? 238 SER A N 1 -ATOM 1795 C CA . SER A 1 238 ? 34.433 26.014 8.205 1.00 10.56 ? 238 SER A CA 1 -ATOM 1796 C C . SER A 1 238 ? 32.916 26.190 8.202 1.00 10.89 ? 238 SER A C 1 -ATOM 1797 O O . SER A 1 238 ? 32.173 25.214 8.309 1.00 11.17 ? 238 SER A O 1 -ATOM 1798 C CB . SER A 1 238 ? 35.088 27.081 9.083 1.00 10.82 ? 238 SER A CB 1 -ATOM 1799 O OG . SER A 1 238 ? 35.050 28.352 8.456 1.00 11.57 ? 238 SER A OG 1 -ATOM 1800 N N . SER A 1 239 ? 32.460 27.433 8.069 1.00 11.35 ? 239 SER A N 1 -ATOM 1801 C CA . SER A 1 239 ? 31.029 27.722 8.059 1.00 11.61 ? 239 SER A CA 1 -ATOM 1802 C C . SER A 1 239 ? 30.316 26.973 6.938 1.00 11.29 ? 239 SER A C 1 -ATOM 1803 O O . SER A 1 239 ? 29.093 26.812 6.966 1.00 11.80 ? 239 SER A O 1 -ATOM 1804 C CB . SER A 1 239 ? 30.792 29.230 7.911 1.00 12.19 ? 239 SER A CB 1 -ATOM 1805 O OG . SER A 1 239 ? 31.324 29.718 6.693 1.00 13.88 ? 239 SER A OG 1 -ATOM 1806 N N . LEU A 1 240 ? 31.081 26.512 5.956 1.00 10.58 ? 240 LEU A N 1 -ATOM 1807 C CA . LEU A 1 240 ? 30.507 25.780 4.837 1.00 9.77 ? 240 LEU A CA 1 -ATOM 1808 C C . LEU A 1 240 ? 29.695 24.582 5.313 1.00 9.49 ? 240 LEU A C 1 -ATOM 1809 O O . LEU A 1 240 ? 28.629 24.294 4.769 1.00 9.23 ? 240 LEU A O 1 -ATOM 1810 C CB . LEU A 1 240 ? 31.609 25.287 3.893 1.00 9.52 ? 240 LEU A CB 1 -ATOM 1811 C CG . LEU A 1 240 ? 31.138 24.362 2.762 1.00 9.33 ? 240 LEU A CG 1 -ATOM 1812 C CD1 . LEU A 1 240 ? 30.204 25.127 1.836 1.00 9.49 ? 240 LEU A CD1 1 -ATOM 1813 C CD2 . LEU A 1 240 ? 32.331 23.829 1.986 1.00 9.43 ? 240 LEU A CD2 1 -ATOM 1814 N N . LEU A 1 241 ? 30.192 23.890 6.332 1.00 9.51 ? 241 LEU A N 1 -ATOM 1815 C CA . LEU A 1 241 ? 29.509 22.702 6.832 1.00 9.56 ? 241 LEU A CA 1 -ATOM 1816 C C . LEU A 1 241 ? 28.044 22.934 7.187 1.00 9.82 ? 241 LEU A C 1 -ATOM 1817 O O . LEU A 1 241 ? 27.184 22.128 6.825 1.00 9.65 ? 241 LEU A O 1 -ATOM 1818 C CB . LEU A 1 241 ? 30.256 22.131 8.038 1.00 9.74 ? 241 LEU A CB 1 -ATOM 1819 C CG . LEU A 1 241 ? 29.705 20.809 8.578 1.00 10.10 ? 241 LEU A CG 1 -ATOM 1820 C CD1 . LEU A 1 241 ? 29.568 19.794 7.448 1.00 10.25 ? 241 LEU A CD1 1 -ATOM 1821 C CD2 . LEU A 1 241 ? 30.635 20.290 9.662 1.00 10.55 ? 241 LEU A CD2 1 -ATOM 1822 N N . ALA A 1 242 ? 27.762 24.031 7.884 1.00 9.85 ? 242 ALA A N 1 -ATOM 1823 C CA . ALA A 1 242 ? 26.391 24.354 8.271 1.00 10.20 ? 242 ALA A CA 1 -ATOM 1824 C C . ALA A 1 242 ? 25.508 24.539 7.038 1.00 10.36 ? 242 ALA A C 1 -ATOM 1825 O O . ALA A 1 242 ? 24.337 24.147 7.035 1.00 10.47 ? 242 ALA A O 1 -ATOM 1826 C CB . ALA A 1 242 ? 26.368 25.622 9.130 1.00 10.50 ? 242 ALA A CB 1 -ATOM 1827 N N . SER A 1 243 ? 26.070 25.133 5.989 1.00 10.32 ? 243 SER A N 1 -ATOM 1828 C CA . SER A 1 243 ? 25.326 25.360 4.756 1.00 10.27 ? 243 SER A CA 1 -ATOM 1829 C C . SER A 1 243 ? 25.014 24.043 4.052 1.00 10.11 ? 243 SER A C 1 -ATOM 1830 O O . SER A 1 243 ? 23.914 23.850 3.532 1.00 9.89 ? 243 SER A O 1 -ATOM 1831 C CB . SER A 1 243 ? 26.121 26.267 3.813 1.00 10.46 ? 243 SER A CB 1 -ATOM 1832 O OG . SER A 1 243 ? 25.405 26.494 2.610 1.00 11.03 ? 243 SER A OG 1 -ATOM 1833 N N . LEU A 1 244 ? 25.989 23.142 4.030 1.00 10.00 ? 244 LEU A N 1 -ATOM 1834 C CA . LEU A 1 244 ? 25.803 21.845 3.393 1.00 10.12 ? 244 LEU A CA 1 -ATOM 1835 C C . LEU A 1 244 ? 24.729 21.045 4.123 1.00 10.48 ? 244 LEU A C 1 -ATOM 1836 O O . LEU A 1 244 ? 23.876 20.421 3.493 1.00 10.39 ? 244 LEU A O 1 -ATOM 1837 C CB . LEU A 1 244 ? 27.120 21.062 3.380 1.00 9.75 ? 244 LEU A CB 1 -ATOM 1838 C CG . LEU A 1 244 ? 28.262 21.705 2.586 1.00 9.30 ? 244 LEU A CG 1 -ATOM 1839 C CD1 . LEU A 1 244 ? 29.519 20.866 2.727 1.00 9.25 ? 244 LEU A CD1 1 -ATOM 1840 C CD2 . LEU A 1 244 ? 27.872 21.829 1.118 1.00 9.45 ? 244 LEU A CD2 1 -ATOM 1841 N N . LEU A 1 245 ? 24.770 21.061 5.451 1.00 10.87 ? 245 LEU A N 1 -ATOM 1842 C CA . LEU A 1 245 ? 23.780 20.330 6.231 1.00 11.47 ? 245 LEU A CA 1 -ATOM 1843 C C . LEU A 1 245 ? 22.386 20.911 6.026 1.00 11.99 ? 245 LEU A C 1 -ATOM 1844 O O . LEU A 1 245 ? 21.402 20.174 5.957 1.00 12.07 ? 245 LEU A O 1 -ATOM 1845 C CB . LEU A 1 245 ? 24.156 20.345 7.714 1.00 11.35 ? 245 LEU A CB 1 -ATOM 1846 C CG . LEU A 1 245 ? 25.356 19.458 8.073 1.00 11.31 ? 245 LEU A CG 1 -ATOM 1847 C CD1 . LEU A 1 245 ? 25.809 19.747 9.495 1.00 11.42 ? 245 LEU A CD1 1 -ATOM 1848 C CD2 . LEU A 1 245 ? 24.980 17.986 7.909 1.00 11.30 ? 245 LEU A CD2 1 -ATOM 1849 N N . LYS A 1 246 ? 22.299 22.233 5.919 1.00 12.53 ? 246 LYS A N 1 -ATOM 1850 C CA . LYS A 1 246 ? 21.009 22.877 5.710 1.00 13.11 ? 246 LYS A CA 1 -ATOM 1851 C C . LYS A 1 246 ? 20.439 22.440 4.359 1.00 13.23 ? 246 LYS A C 1 -ATOM 1852 O O . LYS A 1 246 ? 19.249 22.141 4.240 1.00 13.21 ? 246 LYS A O 1 -ATOM 1853 C CB . LYS A 1 246 ? 21.165 24.399 5.759 1.00 13.63 ? 246 LYS A CB 1 -ATOM 1854 C CG . LYS A 1 246 ? 19.861 25.170 5.631 1.00 14.71 ? 246 LYS A CG 1 -ATOM 1855 C CD . LYS A 1 246 ? 20.066 26.637 5.971 1.00 15.55 ? 246 LYS A CD 1 -ATOM 1856 C CE . LYS A 1 246 ? 18.773 27.426 5.862 1.00 16.26 ? 246 LYS A CE 1 -ATOM 1857 N NZ . LYS A 1 246 ? 18.258 27.457 4.470 1.00 16.82 ? 246 LYS A NZ 1 -ATOM 1858 N N . ALA A 1 247 ? 21.296 22.387 3.345 1.00 13.37 ? 247 ALA A N 1 -ATOM 1859 C CA . ALA A 1 247 ? 20.873 21.974 2.011 1.00 13.74 ? 247 ALA A CA 1 -ATOM 1860 C C . ALA A 1 247 ? 20.355 20.536 2.033 1.00 14.07 ? 247 ALA A C 1 -ATOM 1861 O O . ALA A 1 247 ? 19.488 20.163 1.238 1.00 14.31 ? 247 ALA A O 1 -ATOM 1862 C CB . ALA A 1 247 ? 22.039 22.091 1.034 1.00 13.60 ? 247 ALA A CB 1 -ATOM 1863 N N . LEU A 1 248 ? 20.888 19.737 2.951 1.00 14.42 ? 248 LEU A N 1 -ATOM 1864 C CA . LEU A 1 248 ? 20.502 18.337 3.084 1.00 14.82 ? 248 LEU A CA 1 -ATOM 1865 C C . LEU A 1 248 ? 19.306 18.127 4.011 1.00 15.24 ? 248 LEU A C 1 -ATOM 1866 O O . LEU A 1 248 ? 18.891 16.993 4.249 1.00 15.41 ? 248 LEU A O 1 -ATOM 1867 C CB . LEU A 1 248 ? 21.697 17.518 3.583 1.00 14.60 ? 248 LEU A CB 1 -ATOM 1868 C CG . LEU A 1 248 ? 22.826 17.319 2.566 1.00 14.44 ? 248 LEU A CG 1 -ATOM 1869 C CD1 . LEU A 1 248 ? 24.085 16.815 3.262 1.00 14.37 ? 248 LEU A CD1 1 -ATOM 1870 C CD2 . LEU A 1 248 ? 22.366 16.342 1.493 1.00 14.60 ? 248 LEU A CD2 1 -ATOM 1871 N N . GLY A 1 249 ? 18.757 19.220 4.533 1.00 15.76 ? 249 GLY A N 1 -ATOM 1872 C CA . GLY A 1 249 ? 17.609 19.121 5.420 1.00 16.47 ? 249 GLY A CA 1 -ATOM 1873 C C . GLY A 1 249 ? 17.987 18.806 6.853 1.00 16.91 ? 249 GLY A C 1 -ATOM 1874 O O . GLY A 1 249 ? 17.144 18.407 7.657 1.00 17.26 ? 249 GLY A O 1 -ATOM 1875 N N . HIS A 1 250 ? 19.263 18.988 7.173 1.00 17.16 ? 250 HIS A N 1 -ATOM 1876 C CA . HIS A 1 250 ? 19.779 18.725 8.510 1.00 17.56 ? 250 HIS A CA 1 -ATOM 1877 C C . HIS A 1 250 ? 20.337 19.995 9.139 1.00 17.92 ? 250 HIS A C 1 -ATOM 1878 O O . HIS A 1 250 ? 20.112 21.081 8.567 1.00 18.54 ? 250 HIS A O 1 -ATOM 1879 C CB . HIS A 1 250 ? 20.872 17.658 8.446 1.00 17.23 ? 250 HIS A CB 1 -ATOM 1880 C CG . HIS A 1 250 ? 20.351 16.273 8.226 1.00 16.96 ? 250 HIS A CG 1 -ATOM 1881 N ND1 . HIS A 1 250 ? 20.080 15.409 9.264 1.00 16.89 ? 250 HIS A ND1 1 -ATOM 1882 C CD2 . HIS A 1 250 ? 20.028 15.610 7.090 1.00 16.80 ? 250 HIS A CD2 1 -ATOM 1883 C CE1 . HIS A 1 250 ? 19.615 14.272 8.778 1.00 16.71 ? 250 HIS A CE1 1 -ATOM 1884 N NE2 . HIS A 1 250 ? 19.573 14.368 7.461 1.00 16.75 ? 250 HIS A NE2 1 -ATOM 1885 O OXT . HIS A 1 250 ? 20.992 19.887 10.196 1.00 18.39 ? 250 HIS A OXT 1 -ATOM 1886 N N . THR B 1 2 ? 75.868 47.435 47.317 1.00 20.33 ? 2 THR B N 1 -ATOM 1887 C CA . THR B 1 2 ? 76.550 46.644 46.255 1.00 20.11 ? 2 THR B CA 1 -ATOM 1888 C C . THR B 1 2 ? 76.010 45.217 46.225 1.00 19.98 ? 2 THR B C 1 -ATOM 1889 O O . THR B 1 2 ? 76.060 44.548 45.194 1.00 20.04 ? 2 THR B O 1 -ATOM 1890 C CB . THR B 1 2 ? 78.078 46.603 46.483 1.00 20.43 ? 2 THR B CB 1 -ATOM 1891 O OG1 . THR B 1 2 ? 78.615 47.927 46.364 1.00 20.52 ? 2 THR B OG1 1 -ATOM 1892 C CG2 . THR B 1 2 ? 78.749 45.699 45.461 1.00 20.47 ? 2 THR B CG2 1 -ATOM 1893 N N . ASP B 1 3 ? 75.491 44.760 47.360 1.00 19.72 ? 3 ASP B N 1 -ATOM 1894 C CA . ASP B 1 3 ? 74.940 43.413 47.464 1.00 19.54 ? 3 ASP B CA 1 -ATOM 1895 C C . ASP B 1 3 ? 73.783 43.196 46.495 1.00 19.01 ? 3 ASP B C 1 -ATOM 1896 O O . ASP B 1 3 ? 73.740 42.189 45.789 1.00 18.89 ? 3 ASP B O 1 -ATOM 1897 C CB . ASP B 1 3 ? 74.469 43.149 48.895 1.00 20.20 ? 3 ASP B CB 1 -ATOM 1898 C CG . ASP B 1 3 ? 75.621 42.925 49.854 1.00 20.80 ? 3 ASP B CG 1 -ATOM 1899 O OD1 . ASP B 1 3 ? 76.620 43.668 49.769 1.00 21.56 ? 3 ASP B OD1 1 -ATOM 1900 O OD2 . ASP B 1 3 ? 75.522 42.012 50.700 1.00 21.44 ? 3 ASP B OD2 1 -ATOM 1901 N N . LEU B 1 4 ? 72.847 44.139 46.462 1.00 18.34 ? 4 LEU B N 1 -ATOM 1902 C CA . LEU B 1 4 ? 71.698 44.024 45.571 1.00 17.59 ? 4 LEU B CA 1 -ATOM 1903 C C . LEU B 1 4 ? 72.116 44.105 44.108 1.00 17.12 ? 4 LEU B C 1 -ATOM 1904 O O . LEU B 1 4 ? 71.542 43.427 43.258 1.00 16.82 ? 4 LEU B O 1 -ATOM 1905 C CB . LEU B 1 4 ? 70.662 45.110 45.881 1.00 17.52 ? 4 LEU B CB 1 -ATOM 1906 C CG . LEU B 1 4 ? 69.368 45.070 45.059 1.00 17.66 ? 4 LEU B CG 1 -ATOM 1907 C CD1 . LEU B 1 4 ? 68.741 43.683 45.139 1.00 17.59 ? 4 LEU B CD1 1 -ATOM 1908 C CD2 . LEU B 1 4 ? 68.407 46.130 45.573 1.00 17.70 ? 4 LEU B CD2 1 -ATOM 1909 N N . LYS B 1 5 ? 73.109 44.937 43.805 1.00 16.55 ? 5 LYS B N 1 -ATOM 1910 C CA . LYS B 1 5 ? 73.581 45.055 42.431 1.00 16.04 ? 5 LYS B CA 1 -ATOM 1911 C C . LYS B 1 5 ? 74.236 43.746 42.010 1.00 15.45 ? 5 LYS B C 1 -ATOM 1912 O O . LYS B 1 5 ? 74.026 43.266 40.899 1.00 15.38 ? 5 LYS B O 1 -ATOM 1913 C CB . LYS B 1 5 ? 74.598 46.190 42.297 1.00 16.47 ? 5 LYS B CB 1 -ATOM 1914 C CG . LYS B 1 5 ? 74.006 47.586 42.345 1.00 17.01 ? 5 LYS B CG 1 -ATOM 1915 C CD . LYS B 1 5 ? 75.100 48.627 42.155 1.00 17.59 ? 5 LYS B CD 1 -ATOM 1916 C CE . LYS B 1 5 ? 74.538 50.036 42.140 1.00 17.99 ? 5 LYS B CE 1 -ATOM 1917 N NZ . LYS B 1 5 ? 75.620 51.050 41.983 1.00 18.60 ? 5 LYS B NZ 1 -ATOM 1918 N N . ALA B 1 6 ? 75.031 43.174 42.908 1.00 14.60 ? 6 ALA B N 1 -ATOM 1919 C CA . ALA B 1 6 ? 75.721 41.922 42.630 1.00 13.90 ? 6 ALA B CA 1 -ATOM 1920 C C . ALA B 1 6 ? 74.728 40.801 42.343 1.00 13.37 ? 6 ALA B C 1 -ATOM 1921 O O . ALA B 1 6 ? 74.860 40.084 41.351 1.00 13.22 ? 6 ALA B O 1 -ATOM 1922 C CB . ALA B 1 6 ? 76.618 41.542 43.807 1.00 14.02 ? 6 ALA B CB 1 -ATOM 1923 N N . SER B 1 7 ? 73.727 40.656 43.205 1.00 12.78 ? 7 SER B N 1 -ATOM 1924 C CA . SER B 1 7 ? 72.732 39.607 43.020 1.00 12.27 ? 7 SER B CA 1 -ATOM 1925 C C . SER B 1 7 ? 71.876 39.842 41.778 1.00 11.78 ? 7 SER B C 1 -ATOM 1926 O O . SER B 1 7 ? 71.471 38.888 41.113 1.00 11.36 ? 7 SER B O 1 -ATOM 1927 C CB . SER B 1 7 ? 71.832 39.498 44.256 1.00 12.49 ? 7 SER B CB 1 -ATOM 1928 O OG . SER B 1 7 ? 71.091 40.686 44.465 1.00 13.21 ? 7 SER B OG 1 -ATOM 1929 N N . SER B 1 8 ? 71.609 41.105 41.460 1.00 11.27 ? 8 SER B N 1 -ATOM 1930 C CA . SER B 1 8 ? 70.790 41.434 40.299 1.00 10.91 ? 8 SER B CA 1 -ATOM 1931 C C . SER B 1 8 ? 71.471 41.079 38.983 1.00 10.77 ? 8 SER B C 1 -ATOM 1932 O O . SER B 1 8 ? 70.827 40.564 38.070 1.00 10.58 ? 8 SER B O 1 -ATOM 1933 C CB . SER B 1 8 ? 70.426 42.918 40.313 1.00 10.94 ? 8 SER B CB 1 -ATOM 1934 O OG . SER B 1 8 ? 69.624 43.228 41.437 1.00 10.99 ? 8 SER B OG 1 -ATOM 1935 N N . LEU B 1 9 ? 72.767 41.358 38.875 1.00 10.48 ? 9 LEU B N 1 -ATOM 1936 C CA . LEU B 1 9 ? 73.492 41.027 37.656 1.00 10.37 ? 9 LEU B CA 1 -ATOM 1937 C C . LEU B 1 9 ? 73.548 39.509 37.528 1.00 10.12 ? 9 LEU B C 1 -ATOM 1938 O O . LEU B 1 9 ? 73.399 38.961 36.436 1.00 10.14 ? 9 LEU B O 1 -ATOM 1939 C CB . LEU B 1 9 ? 74.917 41.591 37.695 1.00 10.78 ? 9 LEU B CB 1 -ATOM 1940 C CG . LEU B 1 9 ? 75.768 41.313 36.448 1.00 10.95 ? 9 LEU B CG 1 -ATOM 1941 C CD1 . LEU B 1 9 ? 75.135 41.981 35.233 1.00 11.23 ? 9 LEU B CD1 1 -ATOM 1942 C CD2 . LEU B 1 9 ? 77.185 41.832 36.662 1.00 11.36 ? 9 LEU B CD2 1 -ATOM 1943 N N . ARG B 1 10 ? 73.761 38.831 38.651 1.00 9.86 ? 10 ARG B N 1 -ATOM 1944 C CA . ARG B 1 10 ? 73.830 37.377 38.647 1.00 9.70 ? 10 ARG B CA 1 -ATOM 1945 C C . ARG B 1 10 ? 72.486 36.797 38.209 1.00 9.24 ? 10 ARG B C 1 -ATOM 1946 O O . ARG B 1 10 ? 72.434 35.882 37.387 1.00 9.10 ? 10 ARG B O 1 -ATOM 1947 C CB . ARG B 1 10 ? 74.190 36.852 40.040 1.00 10.50 ? 10 ARG B CB 1 -ATOM 1948 C CG . ARG B 1 10 ? 74.524 35.373 40.064 1.00 11.32 ? 10 ARG B CG 1 -ATOM 1949 C CD . ARG B 1 10 ? 74.702 34.849 41.481 1.00 12.32 ? 10 ARG B CD 1 -ATOM 1950 N NE . ARG B 1 10 ? 75.266 33.503 41.479 1.00 13.30 ? 10 ARG B NE 1 -ATOM 1951 C CZ . ARG B 1 10 ? 75.332 32.714 42.547 1.00 13.53 ? 10 ARG B CZ 1 -ATOM 1952 N NH1 . ARG B 1 10 ? 74.862 33.129 43.714 1.00 13.67 ? 10 ARG B NH1 1 -ATOM 1953 N NH2 . ARG B 1 10 ? 75.879 31.509 42.445 1.00 14.03 ? 10 ARG B NH2 1 -ATOM 1954 N N . ALA B 1 11 ? 71.404 37.340 38.759 1.00 8.75 ? 11 ALA B N 1 -ATOM 1955 C CA . ALA B 1 11 ? 70.059 36.878 38.431 1.00 8.36 ? 11 ALA B CA 1 -ATOM 1956 C C . ALA B 1 11 ? 69.738 37.101 36.957 1.00 8.20 ? 11 ALA B C 1 -ATOM 1957 O O . ALA B 1 11 ? 69.137 36.243 36.310 1.00 8.08 ? 11 ALA B O 1 -ATOM 1958 C CB . ALA B 1 11 ? 69.037 37.594 39.304 1.00 8.27 ? 11 ALA B CB 1 -ATOM 1959 N N . LEU B 1 12 ? 70.134 38.253 36.428 1.00 7.99 ? 12 LEU B N 1 -ATOM 1960 C CA . LEU B 1 12 ? 69.884 38.569 35.028 1.00 7.97 ? 12 LEU B CA 1 -ATOM 1961 C C . LEU B 1 12 ? 70.488 37.491 34.133 1.00 7.97 ? 12 LEU B C 1 -ATOM 1962 O O . LEU B 1 12 ? 69.844 37.003 33.200 1.00 7.84 ? 12 LEU B O 1 -ATOM 1963 C CB . LEU B 1 12 ? 70.488 39.937 34.686 1.00 8.02 ? 12 LEU B CB 1 -ATOM 1964 C CG . LEU B 1 12 ? 70.267 40.505 33.277 1.00 8.05 ? 12 LEU B CG 1 -ATOM 1965 C CD1 . LEU B 1 12 ? 70.353 42.019 33.334 1.00 8.46 ? 12 LEU B CD1 1 -ATOM 1966 C CD2 . LEU B 1 12 ? 71.290 39.945 32.301 1.00 8.29 ? 12 LEU B CD2 1 -ATOM 1967 N N . LYS B 1 13 ? 71.725 37.110 34.434 1.00 8.08 ? 13 LYS B N 1 -ATOM 1968 C CA . LYS B 1 13 ? 72.428 36.108 33.648 1.00 8.08 ? 13 LYS B CA 1 -ATOM 1969 C C . LYS B 1 13 ? 71.904 34.684 33.844 1.00 7.69 ? 13 LYS B C 1 -ATOM 1970 O O . LYS B 1 13 ? 72.347 33.755 33.165 1.00 7.71 ? 13 LYS B O 1 -ATOM 1971 C CB . LYS B 1 13 ? 73.927 36.176 33.953 1.00 8.92 ? 13 LYS B CB 1 -ATOM 1972 C CG . LYS B 1 13 ? 74.558 37.504 33.555 1.00 10.18 ? 13 LYS B CG 1 -ATOM 1973 C CD . LYS B 1 13 ? 76.039 37.540 33.898 1.00 11.53 ? 13 LYS B CD 1 -ATOM 1974 C CE . LYS B 1 13 ? 76.696 38.803 33.376 1.00 12.45 ? 13 LYS B CE 1 -ATOM 1975 N NZ . LYS B 1 13 ? 78.153 38.839 33.690 1.00 13.65 ? 13 LYS B NZ 1 -ATOM 1976 N N . LEU B 1 14 ? 70.962 34.513 34.767 1.00 7.25 ? 14 LEU B N 1 -ATOM 1977 C CA . LEU B 1 14 ? 70.370 33.202 35.029 1.00 7.01 ? 14 LEU B CA 1 -ATOM 1978 C C . LEU B 1 14 ? 68.908 33.187 34.602 1.00 6.74 ? 14 LEU B C 1 -ATOM 1979 O O . LEU B 1 14 ? 68.187 32.223 34.848 1.00 6.52 ? 14 LEU B O 1 -ATOM 1980 C CB . LEU B 1 14 ? 70.458 32.865 36.519 1.00 6.95 ? 14 LEU B CB 1 -ATOM 1981 C CG . LEU B 1 14 ? 71.857 32.696 37.108 1.00 7.01 ? 14 LEU B CG 1 -ATOM 1982 C CD1 . LEU B 1 14 ? 71.758 32.575 38.622 1.00 7.11 ? 14 LEU B CD1 1 -ATOM 1983 C CD2 . LEU B 1 14 ? 72.519 31.468 36.508 1.00 7.06 ? 14 LEU B CD2 1 -ATOM 1984 N N . MET B 1 15 ? 68.467 34.253 33.950 1.00 6.85 ? 15 MET B N 1 -ATOM 1985 C CA . MET B 1 15 ? 67.077 34.333 33.534 1.00 7.05 ? 15 MET B CA 1 -ATOM 1986 C C . MET B 1 15 ? 66.685 33.533 32.303 1.00 6.75 ? 15 MET B C 1 -ATOM 1987 O O . MET B 1 15 ? 67.430 33.448 31.326 1.00 6.63 ? 15 MET B O 1 -ATOM 1988 C CB . MET B 1 15 ? 66.673 35.790 33.276 1.00 7.82 ? 15 MET B CB 1 -ATOM 1989 C CG . MET B 1 15 ? 66.179 36.562 34.492 1.00 8.60 ? 15 MET B CG 1 -ATOM 1990 S SD . MET B 1 15 ? 65.457 38.165 34.034 1.00 10.06 ? 15 MET B SD 1 -ATOM 1991 C CE . MET B 1 15 ? 63.871 37.642 33.376 1.00 9.39 ? 15 MET B CE 1 -ATOM 1992 N N . ASP B 1 16 ? 65.506 32.925 32.393 1.00 6.65 ? 16 ASP B N 1 -ATOM 1993 C CA . ASP B 1 16 ? 64.884 32.233 31.274 1.00 6.36 ? 16 ASP B CA 1 -ATOM 1994 C C . ASP B 1 16 ? 63.842 33.325 30.989 1.00 6.40 ? 16 ASP B C 1 -ATOM 1995 O O . ASP B 1 16 ? 62.757 33.330 31.584 1.00 6.33 ? 16 ASP B O 1 -ATOM 1996 C CB . ASP B 1 16 ? 64.179 30.940 31.719 1.00 6.23 ? 16 ASP B CB 1 -ATOM 1997 C CG . ASP B 1 16 ? 65.083 29.715 31.667 1.00 6.26 ? 16 ASP B CG 1 -ATOM 1998 O OD1 . ASP B 1 16 ? 66.318 29.865 31.560 1.00 6.56 ? 16 ASP B OD1 1 -ATOM 1999 O OD2 . ASP B 1 16 ? 64.545 28.586 31.747 1.00 6.31 ? 16 ASP B OD2 1 -ATOM 2000 N N . LEU B 1 17 ? 64.195 34.284 30.130 1.00 6.49 ? 17 LEU B N 1 -ATOM 2001 C CA . LEU B 1 17 ? 63.289 35.390 29.801 1.00 6.75 ? 17 LEU B CA 1 -ATOM 2002 C C . LEU B 1 17 ? 62.064 34.796 29.131 1.00 6.70 ? 17 LEU B C 1 -ATOM 2003 O O . LEU B 1 17 ? 62.146 34.241 28.037 1.00 6.28 ? 17 LEU B O 1 -ATOM 2004 C CB . LEU B 1 17 ? 63.980 36.396 28.881 1.00 7.17 ? 17 LEU B CB 1 -ATOM 2005 C CG . LEU B 1 17 ? 63.164 37.661 28.590 1.00 7.43 ? 17 LEU B CG 1 -ATOM 2006 C CD1 . LEU B 1 17 ? 62.817 38.386 29.887 1.00 8.29 ? 17 LEU B CD1 1 -ATOM 2007 C CD2 . LEU B 1 17 ? 63.965 38.571 27.672 1.00 7.81 ? 17 LEU B CD2 1 -ATOM 2008 N N . THR B 1 18 ? 60.921 34.959 29.781 1.00 6.82 ? 18 THR B N 1 -ATOM 2009 C CA . THR B 1 18 ? 59.689 34.332 29.333 1.00 7.08 ? 18 THR B CA 1 -ATOM 2010 C C . THR B 1 18 ? 58.506 35.135 28.809 1.00 7.39 ? 18 THR B C 1 -ATOM 2011 O O . THR B 1 18 ? 58.264 36.267 29.210 1.00 7.61 ? 18 THR B O 1 -ATOM 2012 C CB . THR B 1 18 ? 59.148 33.468 30.501 1.00 7.06 ? 18 THR B CB 1 -ATOM 2013 O OG1 . THR B 1 18 ? 60.194 32.613 30.972 1.00 7.17 ? 18 THR B OG1 1 -ATOM 2014 C CG2 . THR B 1 18 ? 57.944 32.630 30.075 1.00 7.29 ? 18 THR B CG2 1 -ATOM 2015 N N . THR B 1 19 ? 57.779 34.503 27.894 1.00 7.94 ? 19 THR B N 1 -ATOM 2016 C CA . THR B 1 19 ? 56.524 35.024 27.381 1.00 8.22 ? 19 THR B CA 1 -ATOM 2017 C C . THR B 1 19 ? 55.726 33.785 26.978 1.00 8.40 ? 19 THR B C 1 -ATOM 2018 O O . THR B 1 19 ? 56.134 33.009 26.112 1.00 8.09 ? 19 THR B O 1 -ATOM 2019 C CB . THR B 1 19 ? 56.666 36.017 26.195 1.00 8.35 ? 19 THR B CB 1 -ATOM 2020 O OG1 . THR B 1 19 ? 55.388 36.634 25.978 1.00 9.08 ? 19 THR B OG1 1 -ATOM 2021 C CG2 . THR B 1 19 ? 57.115 35.324 24.912 1.00 8.98 ? 19 THR B CG2 1 -ATOM 2022 N N . LEU B 1 20 ? 54.618 33.572 27.678 1.00 9.02 ? 20 LEU B N 1 -ATOM 2023 C CA . LEU B 1 20 ? 53.735 32.436 27.434 1.00 10.01 ? 20 LEU B CA 1 -ATOM 2024 C C . LEU B 1 20 ? 52.315 32.962 27.581 1.00 11.30 ? 20 LEU B C 1 -ATOM 2025 O O . LEU B 1 20 ? 51.581 32.571 28.486 1.00 11.90 ? 20 LEU B O 1 -ATOM 2026 C CB . LEU B 1 20 ? 53.996 31.324 28.459 1.00 9.12 ? 20 LEU B CB 1 -ATOM 2027 C CG . LEU B 1 20 ? 55.384 30.669 28.429 1.00 8.40 ? 20 LEU B CG 1 -ATOM 2028 C CD1 . LEU B 1 20 ? 55.569 29.801 29.672 1.00 8.37 ? 20 LEU B CD1 1 -ATOM 2029 C CD2 . LEU B 1 20 ? 55.552 29.840 27.157 1.00 8.38 ? 20 LEU B CD2 1 -ATOM 2030 N N . ASN B 1 21 ? 51.941 33.865 26.685 1.00 12.64 ? 21 ASN B N 1 -ATOM 2031 C CA . ASN B 1 21 ? 50.619 34.469 26.718 1.00 14.08 ? 21 ASN B CA 1 -ATOM 2032 C C . ASN B 1 21 ? 49.778 34.007 25.538 1.00 14.71 ? 21 ASN B C 1 -ATOM 2033 O O . ASN B 1 21 ? 50.306 33.657 24.480 1.00 14.73 ? 21 ASN B O 1 -ATOM 2034 C CB . ASN B 1 21 ? 50.742 35.995 26.701 1.00 14.87 ? 21 ASN B CB 1 -ATOM 2035 C CG . ASN B 1 21 ? 51.432 36.546 27.940 1.00 15.62 ? 21 ASN B CG 1 -ATOM 2036 O OD1 . ASN B 1 21 ? 51.687 37.747 28.033 1.00 16.85 ? 21 ASN B OD1 1 -ATOM 2037 N ND2 . ASN B 1 21 ? 51.733 35.675 28.898 1.00 16.15 ? 21 ASN B ND2 1 -ATOM 2038 N N . ASP B 1 22 ? 48.464 34.006 25.722 1.00 15.50 ? 22 ASP B N 1 -ATOM 2039 C CA . ASP B 1 22 ? 47.562 33.587 24.661 1.00 16.27 ? 22 ASP B CA 1 -ATOM 2040 C C . ASP B 1 22 ? 47.623 34.525 23.458 1.00 16.24 ? 22 ASP B C 1 -ATOM 2041 O O . ASP B 1 22 ? 47.219 34.153 22.360 1.00 16.58 ? 22 ASP B O 1 -ATOM 2042 C CB . ASP B 1 22 ? 46.123 33.510 25.183 1.00 17.16 ? 22 ASP B CB 1 -ATOM 2043 C CG . ASP B 1 22 ? 45.901 32.332 26.113 1.00 17.84 ? 22 ASP B CG 1 -ATOM 2044 O OD1 . ASP B 1 22 ? 46.354 31.217 25.776 1.00 18.72 ? 22 ASP B OD1 1 -ATOM 2045 O OD2 . ASP B 1 22 ? 45.262 32.515 27.172 1.00 18.81 ? 22 ASP B OD2 1 -ATOM 2046 N N . ASP B 1 23 ? 48.145 35.730 23.664 1.00 16.06 ? 23 ASP B N 1 -ATOM 2047 C CA . ASP B 1 23 ? 48.238 36.710 22.588 1.00 15.82 ? 23 ASP B CA 1 -ATOM 2048 C C . ASP B 1 23 ? 49.634 36.818 21.976 1.00 15.03 ? 23 ASP B C 1 -ATOM 2049 O O . ASP B 1 23 ? 49.928 37.772 21.255 1.00 15.17 ? 23 ASP B O 1 -ATOM 2050 C CB . ASP B 1 23 ? 47.785 38.082 23.100 1.00 16.81 ? 23 ASP B CB 1 -ATOM 2051 C CG . ASP B 1 23 ? 48.784 38.714 24.053 1.00 17.66 ? 23 ASP B CG 1 -ATOM 2052 O OD1 . ASP B 1 23 ? 49.379 37.986 24.876 1.00 18.38 ? 23 ASP B OD1 1 -ATOM 2053 O OD2 . ASP B 1 23 ? 48.965 39.949 23.986 1.00 18.43 ? 23 ASP B OD2 1 -ATOM 2054 N N . ASP B 1 24 ? 50.494 35.842 22.255 1.00 13.95 ? 24 ASP B N 1 -ATOM 2055 C CA . ASP B 1 24 ? 51.845 35.867 21.706 1.00 12.67 ? 24 ASP B CA 1 -ATOM 2056 C C . ASP B 1 24 ? 51.839 35.805 20.185 1.00 11.85 ? 24 ASP B C 1 -ATOM 2057 O O . ASP B 1 24 ? 50.973 35.172 19.576 1.00 11.65 ? 24 ASP B O 1 -ATOM 2058 C CB . ASP B 1 24 ? 52.684 34.703 22.243 1.00 12.83 ? 24 ASP B CB 1 -ATOM 2059 C CG . ASP B 1 24 ? 53.147 34.920 23.670 1.00 13.02 ? 24 ASP B CG 1 -ATOM 2060 O OD1 . ASP B 1 24 ? 53.180 36.083 24.123 1.00 13.40 ? 24 ASP B OD1 1 -ATOM 2061 O OD2 . ASP B 1 24 ? 53.494 33.920 24.330 1.00 13.19 ? 24 ASP B OD2 1 -ATOM 2062 N N . THR B 1 25 ? 52.821 36.465 19.582 1.00 11.02 ? 25 THR B N 1 -ATOM 2063 C CA . THR B 1 25 ? 52.973 36.496 18.132 1.00 10.26 ? 25 THR B CA 1 -ATOM 2064 C C . THR B 1 25 ? 54.459 36.415 17.813 1.00 10.00 ? 25 THR B C 1 -ATOM 2065 O O . THR B 1 25 ? 55.296 36.573 18.705 1.00 9.62 ? 25 THR B O 1 -ATOM 2066 C CB . THR B 1 25 ? 52.437 37.808 17.539 1.00 10.09 ? 25 THR B CB 1 -ATOM 2067 O OG1 . THR B 1 25 ? 53.223 38.905 18.021 1.00 10.21 ? 25 THR B OG1 1 -ATOM 2068 C CG2 . THR B 1 25 ? 50.989 38.015 17.937 1.00 10.45 ? 25 THR B CG2 1 -ATOM 2069 N N . ASP B 1 26 ? 54.785 36.162 16.549 1.00 9.95 ? 26 ASP B N 1 -ATOM 2070 C CA . ASP B 1 26 ? 56.180 36.090 16.131 1.00 10.00 ? 26 ASP B CA 1 -ATOM 2071 C C . ASP B 1 26 ? 56.853 37.419 16.457 1.00 10.05 ? 26 ASP B C 1 -ATOM 2072 O O . ASP B 1 26 ? 57.985 37.454 16.928 1.00 9.72 ? 26 ASP B O 1 -ATOM 2073 C CB . ASP B 1 26 ? 56.293 35.836 14.620 1.00 10.33 ? 26 ASP B CB 1 -ATOM 2074 C CG . ASP B 1 26 ? 55.790 34.464 14.208 1.00 10.85 ? 26 ASP B CG 1 -ATOM 2075 O OD1 . ASP B 1 26 ? 55.725 33.558 15.065 1.00 11.08 ? 26 ASP B OD1 1 -ATOM 2076 O OD2 . ASP B 1 26 ? 55.476 34.288 13.010 1.00 11.15 ? 26 ASP B OD2 1 -ATOM 2077 N N . GLU B 1 27 ? 56.140 38.513 16.206 1.00 10.23 ? 27 GLU B N 1 -ATOM 2078 C CA . GLU B 1 27 ? 56.667 39.848 16.455 1.00 10.72 ? 27 GLU B CA 1 -ATOM 2079 C C . GLU B 1 27 ? 57.025 40.049 17.926 1.00 10.23 ? 27 GLU B C 1 -ATOM 2080 O O . GLU B 1 27 ? 58.069 40.613 18.247 1.00 10.12 ? 27 GLU B O 1 -ATOM 2081 C CB . GLU B 1 27 ? 55.645 40.900 16.012 1.00 11.91 ? 27 GLU B CB 1 -ATOM 2082 C CG . GLU B 1 27 ? 55.297 40.849 14.527 1.00 14.16 ? 27 GLU B CG 1 -ATOM 2083 C CD . GLU B 1 27 ? 54.665 39.527 14.107 1.00 15.08 ? 27 GLU B CD 1 -ATOM 2084 O OE1 . GLU B 1 27 ? 53.579 39.190 14.623 1.00 15.63 ? 27 GLU B OE1 1 -ATOM 2085 O OE2 . GLU B 1 27 ? 55.254 38.822 13.258 1.00 16.46 ? 27 GLU B OE2 1 -ATOM 2086 N N . LYS B 1 28 ? 56.159 39.583 18.817 1.00 9.79 ? 28 LYS B N 1 -ATOM 2087 C CA . LYS B 1 28 ? 56.406 39.717 20.246 1.00 9.73 ? 28 LYS B CA 1 -ATOM 2088 C C . LYS B 1 28 ? 57.589 38.863 20.698 1.00 9.06 ? 28 LYS B C 1 -ATOM 2089 O O . LYS B 1 28 ? 58.358 39.262 21.575 1.00 8.91 ? 28 LYS B O 1 -ATOM 2090 C CB . LYS B 1 28 ? 55.146 39.347 21.028 1.00 10.53 ? 28 LYS B CB 1 -ATOM 2091 C CG . LYS B 1 28 ? 54.021 40.347 20.829 1.00 12.03 ? 28 LYS B CG 1 -ATOM 2092 C CD . LYS B 1 28 ? 52.748 39.949 21.550 1.00 13.15 ? 28 LYS B CD 1 -ATOM 2093 C CE . LYS B 1 28 ? 51.679 41.011 21.351 1.00 13.75 ? 28 LYS B CE 1 -ATOM 2094 N NZ . LYS B 1 28 ? 50.382 40.627 21.963 1.00 14.72 ? 28 LYS B NZ 1 -ATOM 2095 N N . VAL B 1 29 ? 57.743 37.688 20.098 1.00 8.46 ? 29 VAL B N 1 -ATOM 2096 C CA . VAL B 1 29 ? 58.856 36.822 20.457 1.00 8.05 ? 29 VAL B CA 1 -ATOM 2097 C C . VAL B 1 29 ? 60.147 37.432 19.920 1.00 7.90 ? 29 VAL B C 1 -ATOM 2098 O O . VAL B 1 29 ? 61.183 37.395 20.583 1.00 7.44 ? 29 VAL B O 1 -ATOM 2099 C CB . VAL B 1 29 ? 58.641 35.393 19.911 1.00 7.89 ? 29 VAL B CB 1 -ATOM 2100 C CG1 . VAL B 1 29 ? 59.924 34.583 20.029 1.00 7.90 ? 29 VAL B CG1 1 -ATOM 2101 C CG2 . VAL B 1 29 ? 57.528 34.712 20.703 1.00 7.86 ? 29 VAL B CG2 1 -ATOM 2102 N N . ILE B 1 30 ? 60.087 38.006 18.723 1.00 7.89 ? 30 ILE B N 1 -ATOM 2103 C CA . ILE B 1 30 ? 61.265 38.644 18.154 1.00 7.93 ? 30 ILE B CA 1 -ATOM 2104 C C . ILE B 1 30 ? 61.716 39.752 19.106 1.00 7.89 ? 30 ILE B C 1 -ATOM 2105 O O . ILE B 1 30 ? 62.907 39.900 19.374 1.00 7.66 ? 30 ILE B O 1 -ATOM 2106 C CB . ILE B 1 30 ? 60.961 39.224 16.751 1.00 7.90 ? 30 ILE B CB 1 -ATOM 2107 C CG1 . ILE B 1 30 ? 60.899 38.076 15.734 1.00 8.14 ? 30 ILE B CG1 1 -ATOM 2108 C CG2 . ILE B 1 30 ? 62.025 40.248 16.353 1.00 8.14 ? 30 ILE B CG2 1 -ATOM 2109 C CD1 . ILE B 1 30 ? 60.394 38.471 14.356 1.00 8.44 ? 30 ILE B CD1 1 -ATOM 2110 N N . ALA B 1 31 ? 60.758 40.509 19.634 1.00 7.93 ? 31 ALA B N 1 -ATOM 2111 C CA . ALA B 1 31 ? 61.062 41.586 20.571 1.00 8.03 ? 31 ALA B CA 1 -ATOM 2112 C C . ALA B 1 31 ? 61.661 41.021 21.861 1.00 8.00 ? 31 ALA B C 1 -ATOM 2113 O O . ALA B 1 31 ? 62.538 41.638 22.470 1.00 8.21 ? 31 ALA B O 1 -ATOM 2114 C CB . ALA B 1 31 ? 59.801 42.387 20.881 1.00 8.24 ? 31 ALA B CB 1 -ATOM 2115 N N . LEU B 1 32 ? 61.187 39.848 22.275 1.00 7.89 ? 32 LEU B N 1 -ATOM 2116 C CA . LEU B 1 32 ? 61.695 39.210 23.488 1.00 7.87 ? 32 LEU B CA 1 -ATOM 2117 C C . LEU B 1 32 ? 63.166 38.844 23.303 1.00 7.67 ? 32 LEU B C 1 -ATOM 2118 O O . LEU B 1 32 ? 63.974 38.996 24.216 1.00 7.62 ? 32 LEU B O 1 -ATOM 2119 C CB . LEU B 1 32 ? 60.896 37.941 23.807 1.00 8.12 ? 32 LEU B CB 1 -ATOM 2120 C CG . LEU B 1 32 ? 61.182 37.294 25.166 1.00 8.62 ? 32 LEU B CG 1 -ATOM 2121 C CD1 . LEU B 1 32 ? 60.424 38.054 26.246 1.00 9.28 ? 32 LEU B CD1 1 -ATOM 2122 C CD2 . LEU B 1 32 ? 60.749 35.832 25.155 1.00 9.13 ? 32 LEU B CD2 1 -ATOM 2123 N N . CYS B 1 33 ? 63.508 38.355 22.114 1.00 7.52 ? 33 CYS B N 1 -ATOM 2124 C CA . CYS B 1 33 ? 64.886 37.980 21.814 1.00 7.61 ? 33 CYS B CA 1 -ATOM 2125 C C . CYS B 1 33 ? 65.802 39.195 21.907 1.00 7.82 ? 33 CYS B C 1 -ATOM 2126 O O . CYS B 1 33 ? 66.931 39.105 22.392 1.00 7.51 ? 33 CYS B O 1 -ATOM 2127 C CB . CYS B 1 33 ? 64.976 37.360 20.416 1.00 7.64 ? 33 CYS B CB 1 -ATOM 2128 S SG . CYS B 1 33 ? 64.191 35.734 20.253 1.00 7.67 ? 33 CYS B SG 1 -ATOM 2129 N N . HIS B 1 34 ? 65.315 40.337 21.437 1.00 8.07 ? 34 HIS B N 1 -ATOM 2130 C CA . HIS B 1 34 ? 66.098 41.568 21.492 1.00 8.67 ? 34 HIS B CA 1 -ATOM 2131 C C . HIS B 1 34 ? 66.303 41.985 22.944 1.00 8.96 ? 34 HIS B C 1 -ATOM 2132 O O . HIS B 1 34 ? 67.362 42.486 23.317 1.00 8.96 ? 34 HIS B O 1 -ATOM 2133 C CB . HIS B 1 34 ? 65.376 42.680 20.733 1.00 9.17 ? 34 HIS B CB 1 -ATOM 2134 C CG . HIS B 1 34 ? 65.259 42.428 19.262 1.00 9.76 ? 34 HIS B CG 1 -ATOM 2135 N ND1 . HIS B 1 34 ? 64.342 43.080 18.467 1.00 10.34 ? 34 HIS B ND1 1 -ATOM 2136 C CD2 . HIS B 1 34 ? 65.955 41.607 18.441 1.00 9.88 ? 34 HIS B CD2 1 -ATOM 2137 C CE1 . HIS B 1 34 ? 64.477 42.670 17.218 1.00 10.27 ? 34 HIS B CE1 1 -ATOM 2138 N NE2 . HIS B 1 34 ? 65.449 41.777 17.174 1.00 10.48 ? 34 HIS B NE2 1 -ATOM 2139 N N . GLN B 1 35 ? 65.277 41.772 23.759 1.00 9.15 ? 35 GLN B N 1 -ATOM 2140 C CA . GLN B 1 35 ? 65.325 42.114 25.176 1.00 9.59 ? 35 GLN B CA 1 -ATOM 2141 C C . GLN B 1 35 ? 66.331 41.249 25.929 1.00 9.14 ? 35 GLN B C 1 -ATOM 2142 O O . GLN B 1 35 ? 66.968 41.708 26.879 1.00 8.97 ? 35 GLN B O 1 -ATOM 2143 C CB . GLN B 1 35 ? 63.938 41.937 25.797 1.00 10.80 ? 35 GLN B CB 1 -ATOM 2144 C CG . GLN B 1 35 ? 62.899 42.926 25.304 1.00 13.22 ? 35 GLN B CG 1 -ATOM 2145 C CD . GLN B 1 35 ? 61.484 42.519 25.680 1.00 14.29 ? 35 GLN B CD 1 -ATOM 2146 O OE1 . GLN B 1 35 ? 61.210 42.167 26.828 1.00 15.62 ? 35 GLN B OE1 1 -ATOM 2147 N NE2 . GLN B 1 35 ? 60.576 42.569 24.709 1.00 15.47 ? 35 GLN B NE2 1 -ATOM 2148 N N . ALA B 1 36 ? 66.470 39.997 25.503 1.00 8.47 ? 36 ALA B N 1 -ATOM 2149 C CA . ALA B 1 36 ? 67.388 39.063 26.145 1.00 8.31 ? 36 ALA B CA 1 -ATOM 2150 C C . ALA B 1 36 ? 68.841 39.512 26.028 1.00 8.41 ? 36 ALA B C 1 -ATOM 2151 O O . ALA B 1 36 ? 69.690 39.118 26.826 1.00 8.16 ? 36 ALA B O 1 -ATOM 2152 C CB . ALA B 1 36 ? 67.214 37.675 25.545 1.00 8.01 ? 36 ALA B CB 1 -ATOM 2153 N N . LYS B 1 37 ? 69.122 40.330 25.020 1.00 8.42 ? 37 LYS B N 1 -ATOM 2154 C CA . LYS B 1 37 ? 70.462 40.860 24.801 1.00 8.72 ? 37 LYS B CA 1 -ATOM 2155 C C . LYS B 1 37 ? 70.463 42.227 25.488 1.00 9.19 ? 37 LYS B C 1 -ATOM 2156 O O . LYS B 1 37 ? 70.171 43.244 24.862 1.00 9.22 ? 37 LYS B O 1 -ATOM 2157 C CB . LYS B 1 37 ? 70.712 41.003 23.296 1.00 8.44 ? 37 LYS B CB 1 -ATOM 2158 C CG . LYS B 1 37 ? 72.098 41.493 22.918 1.00 8.42 ? 37 LYS B CG 1 -ATOM 2159 C CD . LYS B 1 37 ? 72.243 41.560 21.407 1.00 8.39 ? 37 LYS B CD 1 -ATOM 2160 C CE . LYS B 1 37 ? 73.643 41.998 21.011 1.00 8.46 ? 37 LYS B CE 1 -ATOM 2161 N NZ . LYS B 1 37 ? 73.759 42.181 19.541 1.00 8.33 ? 37 LYS B NZ 1 -ATOM 2162 N N . THR B 1 38 ? 70.777 42.240 26.782 1.00 9.91 ? 38 THR B N 1 -ATOM 2163 C CA . THR B 1 38 ? 70.762 43.479 27.563 1.00 10.64 ? 38 THR B CA 1 -ATOM 2164 C C . THR B 1 38 ? 72.078 44.252 27.554 1.00 11.13 ? 38 THR B C 1 -ATOM 2165 O O . THR B 1 38 ? 73.119 43.729 27.156 1.00 10.99 ? 38 THR B O 1 -ATOM 2166 C CB . THR B 1 38 ? 70.372 43.208 29.040 1.00 10.81 ? 38 THR B CB 1 -ATOM 2167 O OG1 . THR B 1 38 ? 71.553 42.980 29.821 1.00 10.68 ? 38 THR B OG1 1 -ATOM 2168 C CG2 . THR B 1 38 ? 69.464 41.988 29.136 1.00 10.97 ? 38 THR B CG2 1 -ATOM 2169 N N . PRO B 1 39 ? 72.044 45.519 28.001 1.00 11.80 ? 39 PRO B N 1 -ATOM 2170 C CA . PRO B 1 39 ? 73.244 46.360 28.039 1.00 12.15 ? 39 PRO B CA 1 -ATOM 2171 C C . PRO B 1 39 ? 74.334 45.877 28.995 1.00 12.25 ? 39 PRO B C 1 -ATOM 2172 O O . PRO B 1 39 ? 75.472 46.337 28.917 1.00 12.69 ? 39 PRO B O 1 -ATOM 2173 C CB . PRO B 1 39 ? 72.699 47.727 28.452 1.00 12.34 ? 39 PRO B CB 1 -ATOM 2174 C CG . PRO B 1 39 ? 71.296 47.709 27.933 1.00 12.44 ? 39 PRO B CG 1 -ATOM 2175 C CD . PRO B 1 39 ? 70.842 46.317 28.295 1.00 12.07 ? 39 PRO B CD 1 -ATOM 2176 N N . VAL B 1 40 ? 73.989 44.959 29.896 1.00 12.11 ? 40 VAL B N 1 -ATOM 2177 C CA . VAL B 1 40 ? 74.959 44.447 30.863 1.00 11.82 ? 40 VAL B CA 1 -ATOM 2178 C C . VAL B 1 40 ? 75.243 42.958 30.702 1.00 11.44 ? 40 VAL B C 1 -ATOM 2179 O O . VAL B 1 40 ? 75.942 42.361 31.522 1.00 11.45 ? 40 VAL B O 1 -ATOM 2180 C CB . VAL B 1 40 ? 74.485 44.684 32.314 1.00 12.06 ? 40 VAL B CB 1 -ATOM 2181 C CG1 . VAL B 1 40 ? 74.197 46.158 32.530 1.00 12.50 ? 40 VAL B CG1 1 -ATOM 2182 C CG2 . VAL B 1 40 ? 73.246 43.842 32.602 1.00 12.09 ? 40 VAL B CG2 1 -ATOM 2183 N N . GLY B 1 41 ? 74.699 42.360 29.648 1.00 10.86 ? 41 GLY B N 1 -ATOM 2184 C CA . GLY B 1 41 ? 74.918 40.945 29.418 1.00 10.32 ? 41 GLY B CA 1 -ATOM 2185 C C . GLY B 1 41 ? 73.673 40.262 28.894 1.00 9.90 ? 41 GLY B C 1 -ATOM 2186 O O . GLY B 1 41 ? 72.610 40.875 28.804 1.00 10.07 ? 41 GLY B O 1 -ATOM 2187 N N . ASN B 1 42 ? 73.803 38.985 28.555 1.00 9.61 ? 42 ASN B N 1 -ATOM 2188 C CA . ASN B 1 42 ? 72.679 38.225 28.029 1.00 9.13 ? 42 ASN B CA 1 -ATOM 2189 C C . ASN B 1 42 ? 72.036 37.348 29.089 1.00 8.72 ? 42 ASN B C 1 -ATOM 2190 O O . ASN B 1 42 ? 72.692 36.912 30.034 1.00 8.70 ? 42 ASN B O 1 -ATOM 2191 C CB . ASN B 1 42 ? 73.133 37.336 26.870 1.00 9.66 ? 42 ASN B CB 1 -ATOM 2192 C CG . ASN B 1 42 ? 73.776 38.122 25.747 1.00 10.05 ? 42 ASN B CG 1 -ATOM 2193 O OD1 . ASN B 1 42 ? 73.323 39.211 25.396 1.00 10.80 ? 42 ASN B OD1 1 -ATOM 2194 N ND2 . ASN B 1 42 ? 74.828 37.561 25.163 1.00 10.74 ? 42 ASN B ND2 1 -ATOM 2195 N N . THR B 1 43 ? 70.741 37.104 28.939 1.00 8.07 ? 43 THR B N 1 -ATOM 2196 C CA . THR B 1 43 ? 70.050 36.228 29.870 1.00 7.62 ? 43 THR B CA 1 -ATOM 2197 C C . THR B 1 43 ? 70.526 34.824 29.506 1.00 7.23 ? 43 THR B C 1 -ATOM 2198 O O . THR B 1 43 ? 71.135 34.623 28.450 1.00 7.47 ? 43 THR B O 1 -ATOM 2199 C CB . THR B 1 43 ? 68.514 36.309 29.707 1.00 7.43 ? 43 THR B CB 1 -ATOM 2200 O OG1 . THR B 1 43 ? 68.150 35.962 28.365 1.00 7.52 ? 43 THR B OG1 1 -ATOM 2201 C CG2 . THR B 1 43 ? 68.015 37.713 30.007 1.00 7.47 ? 43 THR B CG2 1 -ATOM 2202 N N . ALA B 1 44 ? 70.264 33.858 30.378 1.00 6.75 ? 44 ALA B N 1 -ATOM 2203 C CA . ALA B 1 44 ? 70.680 32.484 30.120 1.00 6.35 ? 44 ALA B CA 1 -ATOM 2204 C C . ALA B 1 44 ? 69.896 31.898 28.959 1.00 6.12 ? 44 ALA B C 1 -ATOM 2205 O O . ALA B 1 44 ? 70.426 31.123 28.166 1.00 6.17 ? 44 ALA B O 1 -ATOM 2206 C CB . ALA B 1 44 ? 70.466 31.629 31.363 1.00 6.39 ? 44 ALA B CB 1 -ATOM 2207 N N . ALA B 1 45 ? 68.630 32.283 28.860 1.00 5.94 ? 45 ALA B N 1 -ATOM 2208 C CA . ALA B 1 45 ? 67.782 31.746 27.813 1.00 6.10 ? 45 ALA B CA 1 -ATOM 2209 C C . ALA B 1 45 ? 66.490 32.535 27.693 1.00 6.01 ? 45 ALA B C 1 -ATOM 2210 O O . ALA B 1 45 ? 66.298 33.561 28.344 1.00 5.88 ? 45 ALA B O 1 -ATOM 2211 C CB . ALA B 1 45 ? 67.456 30.287 28.143 1.00 6.85 ? 45 ALA B CB 1 -ATOM 2212 N N . ILE B 1 46 ? 65.625 32.057 26.807 1.00 5.96 ? 46 ILE B N 1 -ATOM 2213 C CA . ILE B 1 46 ? 64.291 32.610 26.644 1.00 6.02 ? 46 ILE B CA 1 -ATOM 2214 C C . ILE B 1 46 ? 63.398 31.382 26.807 1.00 5.84 ? 46 ILE B C 1 -ATOM 2215 O O . ILE B 1 46 ? 63.859 30.248 26.634 1.00 6.09 ? 46 ILE B O 1 -ATOM 2216 C CB . ILE B 1 46 ? 64.039 33.248 25.243 1.00 6.09 ? 46 ILE B CB 1 -ATOM 2217 C CG1 . ILE B 1 46 ? 64.251 32.224 24.128 1.00 6.48 ? 46 ILE B CG1 1 -ATOM 2218 C CG2 . ILE B 1 46 ? 64.917 34.476 25.070 1.00 6.39 ? 46 ILE B CG2 1 -ATOM 2219 C CD1 . ILE B 1 46 ? 63.847 32.742 22.751 1.00 6.88 ? 46 ILE B CD1 1 -ATOM 2220 N N . CYS B 1 47 ? 62.143 31.597 27.183 1.00 5.68 ? 47 CYS B N 1 -ATOM 2221 C CA . CYS B 1 47 ? 61.199 30.497 27.339 1.00 5.58 ? 47 CYS B CA 1 -ATOM 2222 C C . CYS B 1 47 ? 59.939 30.938 26.619 1.00 5.43 ? 47 CYS B C 1 -ATOM 2223 O O . CYS B 1 47 ? 59.315 31.931 26.992 1.00 5.36 ? 47 CYS B O 1 -ATOM 2224 C CB . CYS B 1 47 ? 60.899 30.221 28.814 1.00 5.77 ? 47 CYS B CB 1 -ATOM 2225 S SG . CYS B 1 47 ? 59.874 28.744 29.060 1.00 6.89 ? 47 CYS B SG 1 -ATOM 2226 N N . ILE B 1 48 ? 59.579 30.189 25.583 1.00 5.17 ? 48 ILE B N 1 -ATOM 2227 C CA . ILE B 1 48 ? 58.433 30.514 24.741 1.00 5.08 ? 48 ILE B CA 1 -ATOM 2228 C C . ILE B 1 48 ? 57.665 29.259 24.342 1.00 4.86 ? 48 ILE B C 1 -ATOM 2229 O O . ILE B 1 48 ? 58.122 28.144 24.579 1.00 4.91 ? 48 ILE B O 1 -ATOM 2230 C CB . ILE B 1 48 ? 58.927 31.201 23.451 1.00 5.54 ? 48 ILE B CB 1 -ATOM 2231 C CG1 . ILE B 1 48 ? 59.984 30.312 22.783 1.00 5.82 ? 48 ILE B CG1 1 -ATOM 2232 C CG2 . ILE B 1 48 ? 59.525 32.567 23.775 1.00 5.83 ? 48 ILE B CG2 1 -ATOM 2233 C CD1 . ILE B 1 48 ? 60.544 30.858 21.484 1.00 6.31 ? 48 ILE B CD1 1 -ATOM 2234 N N . TYR B 1 49 ? 56.498 29.440 23.731 1.00 4.81 ? 49 TYR B N 1 -ATOM 2235 C CA . TYR B 1 49 ? 55.724 28.292 23.276 1.00 4.86 ? 49 TYR B CA 1 -ATOM 2236 C C . TYR B 1 49 ? 56.480 27.666 22.100 1.00 4.94 ? 49 TYR B C 1 -ATOM 2237 O O . TYR B 1 49 ? 57.158 28.360 21.339 1.00 4.54 ? 49 TYR B O 1 -ATOM 2238 C CB . TYR B 1 49 ? 54.309 28.713 22.862 1.00 5.18 ? 49 TYR B CB 1 -ATOM 2239 C CG . TYR B 1 49 ? 53.361 28.897 24.032 1.00 5.36 ? 49 TYR B CG 1 -ATOM 2240 C CD1 . TYR B 1 49 ? 53.123 27.856 24.932 1.00 5.91 ? 49 TYR B CD1 1 -ATOM 2241 C CD2 . TYR B 1 49 ? 52.692 30.104 24.233 1.00 6.01 ? 49 TYR B CD2 1 -ATOM 2242 C CE1 . TYR B 1 49 ? 52.242 28.012 25.998 1.00 6.09 ? 49 TYR B CE1 1 -ATOM 2243 C CE2 . TYR B 1 49 ? 51.808 30.268 25.298 1.00 6.12 ? 49 TYR B CE2 1 -ATOM 2244 C CZ . TYR B 1 49 ? 51.588 29.218 26.174 1.00 6.53 ? 49 TYR B CZ 1 -ATOM 2245 O OH . TYR B 1 49 ? 50.711 29.371 27.225 1.00 7.94 ? 49 TYR B OH 1 -ATOM 2246 N N . PRO B 1 50 ? 56.367 26.341 21.935 1.00 4.83 ? 50 PRO B N 1 -ATOM 2247 C CA . PRO B 1 50 ? 57.053 25.618 20.861 1.00 4.98 ? 50 PRO B CA 1 -ATOM 2248 C C . PRO B 1 50 ? 57.013 26.211 19.454 1.00 4.88 ? 50 PRO B C 1 -ATOM 2249 O O . PRO B 1 50 ? 58.036 26.237 18.767 1.00 4.78 ? 50 PRO B O 1 -ATOM 2250 C CB . PRO B 1 50 ? 56.408 24.236 20.909 1.00 5.14 ? 50 PRO B CB 1 -ATOM 2251 C CG . PRO B 1 50 ? 56.064 24.070 22.353 1.00 5.38 ? 50 PRO B CG 1 -ATOM 2252 C CD . PRO B 1 50 ? 55.519 25.429 22.726 1.00 4.84 ? 50 PRO B CD 1 -ATOM 2253 N N . ARG B 1 51 ? 55.849 26.688 19.026 1.00 4.99 ? 51 ARG B N 1 -ATOM 2254 C CA . ARG B 1 51 ? 55.713 27.219 17.671 1.00 5.13 ? 51 ARG B CA 1 -ATOM 2255 C C . ARG B 1 51 ? 56.581 28.424 17.340 1.00 5.15 ? 51 ARG B C 1 -ATOM 2256 O O . ARG B 1 51 ? 56.794 28.729 16.166 1.00 5.52 ? 51 ARG B O 1 -ATOM 2257 C CB . ARG B 1 51 ? 54.250 27.554 17.380 1.00 5.20 ? 51 ARG B CB 1 -ATOM 2258 C CG . ARG B 1 51 ? 53.655 28.667 18.226 1.00 6.00 ? 51 ARG B CG 1 -ATOM 2259 C CD . ARG B 1 51 ? 52.161 28.750 17.939 1.00 6.37 ? 51 ARG B CD 1 -ATOM 2260 N NE . ARG B 1 51 ? 51.465 29.812 18.664 1.00 7.06 ? 51 ARG B NE 1 -ATOM 2261 C CZ . ARG B 1 51 ? 51.108 29.755 19.944 1.00 7.11 ? 51 ARG B CZ 1 -ATOM 2262 N NH1 . ARG B 1 51 ? 51.380 28.682 20.680 1.00 7.43 ? 51 ARG B NH1 1 -ATOM 2263 N NH2 . ARG B 1 51 ? 50.444 30.771 20.482 1.00 8.07 ? 51 ARG B NH2 1 -ATOM 2264 N N . PHE B 1 52 ? 57.091 29.101 18.361 1.00 4.94 ? 52 PHE B N 1 -ATOM 2265 C CA . PHE B 1 52 ? 57.923 30.278 18.144 1.00 5.23 ? 52 PHE B CA 1 -ATOM 2266 C C . PHE B 1 52 ? 59.415 29.970 18.156 1.00 5.27 ? 52 PHE B C 1 -ATOM 2267 O O . PHE B 1 52 ? 60.237 30.856 17.932 1.00 5.62 ? 52 PHE B O 1 -ATOM 2268 C CB . PHE B 1 52 ? 57.609 31.330 19.206 1.00 5.13 ? 52 PHE B CB 1 -ATOM 2269 C CG . PHE B 1 52 ? 56.179 31.785 19.199 1.00 4.92 ? 52 PHE B CG 1 -ATOM 2270 C CD1 . PHE B 1 52 ? 55.652 32.450 18.094 1.00 5.41 ? 52 PHE B CD1 1 -ATOM 2271 C CD2 . PHE B 1 52 ? 55.358 31.553 20.296 1.00 5.09 ? 52 PHE B CD2 1 -ATOM 2272 C CE1 . PHE B 1 52 ? 54.325 32.878 18.084 1.00 5.42 ? 52 PHE B CE1 1 -ATOM 2273 C CE2 . PHE B 1 52 ? 54.030 31.978 20.297 1.00 5.38 ? 52 PHE B CE2 1 -ATOM 2274 C CZ . PHE B 1 52 ? 53.514 32.643 19.186 1.00 5.37 ? 52 PHE B CZ 1 -ATOM 2275 N N . ILE B 1 53 ? 59.771 28.712 18.387 1.00 5.35 ? 53 ILE B N 1 -ATOM 2276 C CA . ILE B 1 53 ? 61.181 28.343 18.451 1.00 5.28 ? 53 ILE B CA 1 -ATOM 2277 C C . ILE B 1 53 ? 62.016 28.620 17.188 1.00 5.38 ? 53 ILE B C 1 -ATOM 2278 O O . ILE B 1 53 ? 63.084 29.223 17.276 1.00 5.48 ? 53 ILE B O 1 -ATOM 2279 C CB . ILE B 1 53 ? 61.341 26.856 18.862 1.00 5.34 ? 53 ILE B CB 1 -ATOM 2280 C CG1 . ILE B 1 53 ? 60.848 26.671 20.301 1.00 5.23 ? 53 ILE B CG1 1 -ATOM 2281 C CG2 . ILE B 1 53 ? 62.802 26.422 18.735 1.00 5.57 ? 53 ILE B CG2 1 -ATOM 2282 C CD1 . ILE B 1 53 ? 60.809 25.229 20.757 1.00 5.32 ? 53 ILE B CD1 1 -ATOM 2283 N N . PRO B 1 54 ? 61.545 28.198 15.999 1.00 5.42 ? 54 PRO B N 1 -ATOM 2284 C CA . PRO B 1 54 ? 62.336 28.449 14.787 1.00 5.57 ? 54 PRO B CA 1 -ATOM 2285 C C . PRO B 1 54 ? 62.682 29.915 14.527 1.00 5.63 ? 54 PRO B C 1 -ATOM 2286 O O . PRO B 1 54 ? 63.840 30.246 14.252 1.00 5.52 ? 54 PRO B O 1 -ATOM 2287 C CB . PRO B 1 54 ? 61.468 27.858 13.677 1.00 5.55 ? 54 PRO B CB 1 -ATOM 2288 C CG . PRO B 1 54 ? 60.718 26.761 14.386 1.00 5.78 ? 54 PRO B CG 1 -ATOM 2289 C CD . PRO B 1 54 ? 60.332 27.427 15.679 1.00 5.63 ? 54 PRO B CD 1 -ATOM 2290 N N . ILE B 1 55 ? 61.688 30.794 14.604 1.00 5.64 ? 55 ILE B N 1 -ATOM 2291 C CA . ILE B 1 55 ? 61.942 32.209 14.369 1.00 6.05 ? 55 ILE B CA 1 -ATOM 2292 C C . ILE B 1 55 ? 62.796 32.812 15.487 1.00 5.86 ? 55 ILE B C 1 -ATOM 2293 O O . ILE B 1 55 ? 63.615 33.702 15.244 1.00 5.82 ? 55 ILE B O 1 -ATOM 2294 C CB . ILE B 1 55 ? 60.614 33.007 14.204 1.00 6.56 ? 55 ILE B CB 1 -ATOM 2295 C CG1 . ILE B 1 55 ? 60.925 34.459 13.818 1.00 6.91 ? 55 ILE B CG1 1 -ATOM 2296 C CG2 . ILE B 1 55 ? 59.782 32.934 15.473 1.00 7.22 ? 55 ILE B CG2 1 -ATOM 2297 C CD1 . ILE B 1 55 ? 61.671 34.590 12.510 1.00 7.52 ? 55 ILE B CD1 1 -ATOM 2298 N N . ALA B 1 56 ? 62.628 32.315 16.709 1.00 5.64 ? 56 ALA B N 1 -ATOM 2299 C CA . ALA B 1 56 ? 63.416 32.813 17.831 1.00 5.73 ? 56 ALA B CA 1 -ATOM 2300 C C . ALA B 1 56 ? 64.885 32.433 17.630 1.00 5.81 ? 56 ALA B C 1 -ATOM 2301 O O . ALA B 1 56 ? 65.781 33.248 17.856 1.00 6.01 ? 56 ALA B O 1 -ATOM 2302 C CB . ALA B 1 56 ? 62.893 32.235 19.147 1.00 5.81 ? 56 ALA B CB 1 -ATOM 2303 N N . ARG B 1 57 ? 65.130 31.198 17.197 1.00 5.80 ? 57 ARG B N 1 -ATOM 2304 C CA . ARG B 1 57 ? 66.495 30.737 16.967 1.00 6.02 ? 57 ARG B CA 1 -ATOM 2305 C C . ARG B 1 57 ? 67.179 31.616 15.929 1.00 6.09 ? 57 ARG B C 1 -ATOM 2306 O O . ARG B 1 57 ? 68.333 32.005 16.096 1.00 6.11 ? 57 ARG B O 1 -ATOM 2307 C CB . ARG B 1 57 ? 66.504 29.287 16.476 1.00 6.34 ? 57 ARG B CB 1 -ATOM 2308 C CG . ARG B 1 57 ? 67.908 28.728 16.272 1.00 6.97 ? 57 ARG B CG 1 -ATOM 2309 C CD . ARG B 1 57 ? 68.588 28.447 17.605 1.00 7.69 ? 57 ARG B CD 1 -ATOM 2310 N NE . ARG B 1 57 ? 68.146 27.177 18.175 1.00 8.20 ? 57 ARG B NE 1 -ATOM 2311 C CZ . ARG B 1 57 ? 68.467 26.746 19.390 1.00 8.31 ? 57 ARG B CZ 1 -ATOM 2312 N NH1 . ARG B 1 57 ? 69.230 27.486 20.185 1.00 8.30 ? 57 ARG B NH1 1 -ATOM 2313 N NH2 . ARG B 1 57 ? 68.050 25.559 19.799 1.00 8.59 ? 57 ARG B NH2 1 -ATOM 2314 N N . LYS B 1 58 ? 66.459 31.922 14.852 1.00 6.33 ? 58 LYS B N 1 -ATOM 2315 C CA . LYS B 1 58 ? 66.996 32.757 13.784 1.00 6.62 ? 58 LYS B CA 1 -ATOM 2316 C C . LYS B 1 58 ? 67.298 34.159 14.301 1.00 6.52 ? 58 LYS B C 1 -ATOM 2317 O O . LYS B 1 58 ? 68.347 34.727 14.000 1.00 6.47 ? 58 LYS B O 1 -ATOM 2318 C CB . LYS B 1 58 ? 65.996 32.829 12.626 1.00 7.07 ? 58 LYS B CB 1 -ATOM 2319 C CG . LYS B 1 58 ? 66.444 33.671 11.440 1.00 8.23 ? 58 LYS B CG 1 -ATOM 2320 C CD . LYS B 1 58 ? 65.486 33.490 10.267 1.00 8.51 ? 58 LYS B CD 1 -ATOM 2321 C CE . LYS B 1 58 ? 65.929 34.274 9.043 1.00 9.29 ? 58 LYS B CE 1 -ATOM 2322 N NZ . LYS B 1 58 ? 65.090 33.926 7.864 1.00 9.74 ? 58 LYS B NZ 1 -ATOM 2323 N N . THR B 1 59 ? 66.381 34.707 15.090 1.00 6.13 ? 59 THR B N 1 -ATOM 2324 C CA . THR B 1 59 ? 66.547 36.049 15.640 1.00 6.14 ? 59 THR B CA 1 -ATOM 2325 C C . THR B 1 59 ? 67.761 36.131 16.567 1.00 6.20 ? 59 THR B C 1 -ATOM 2326 O O . THR B 1 59 ? 68.562 37.064 16.478 1.00 6.19 ? 59 THR B O 1 -ATOM 2327 C CB . THR B 1 59 ? 65.278 36.485 16.401 1.00 6.11 ? 59 THR B CB 1 -ATOM 2328 O OG1 . THR B 1 59 ? 64.143 36.405 15.523 1.00 6.45 ? 59 THR B OG1 1 -ATOM 2329 C CG2 . THR B 1 59 ? 65.422 37.911 16.900 1.00 5.92 ? 59 THR B CG2 1 -ATOM 2330 N N . LEU B 1 60 ? 67.901 35.153 17.458 1.00 6.02 ? 60 LEU B N 1 -ATOM 2331 C CA . LEU B 1 60 ? 69.029 35.128 18.385 1.00 6.25 ? 60 LEU B CA 1 -ATOM 2332 C C . LEU B 1 60 ? 70.355 34.973 17.634 1.00 6.59 ? 60 LEU B C 1 -ATOM 2333 O O . LEU B 1 60 ? 71.358 35.592 17.991 1.00 6.70 ? 60 LEU B O 1 -ATOM 2334 C CB . LEU B 1 60 ? 68.852 33.986 19.398 1.00 6.12 ? 60 LEU B CB 1 -ATOM 2335 C CG . LEU B 1 60 ? 67.680 34.123 20.380 1.00 6.14 ? 60 LEU B CG 1 -ATOM 2336 C CD1 . LEU B 1 60 ? 67.499 32.823 21.153 1.00 6.36 ? 60 LEU B CD1 1 -ATOM 2337 C CD2 . LEU B 1 60 ? 67.934 35.284 21.333 1.00 6.05 ? 60 LEU B CD2 1 -ATOM 2338 N N . LYS B 1 61 ? 70.355 34.158 16.584 1.00 6.99 ? 61 LYS B N 1 -ATOM 2339 C CA . LYS B 1 61 ? 71.564 33.937 15.794 1.00 7.59 ? 61 LYS B CA 1 -ATOM 2340 C C . LYS B 1 61 ? 71.978 35.193 15.035 1.00 7.59 ? 61 LYS B C 1 -ATOM 2341 O O . LYS B 1 61 ? 73.150 35.575 15.038 1.00 7.64 ? 61 LYS B O 1 -ATOM 2342 C CB . LYS B 1 61 ? 71.345 32.790 14.797 1.00 8.28 ? 61 LYS B CB 1 -ATOM 2343 C CG . LYS B 1 61 ? 72.547 32.488 13.905 1.00 9.37 ? 61 LYS B CG 1 -ATOM 2344 C CD . LYS B 1 61 ? 72.213 31.428 12.860 1.00 10.44 ? 61 LYS B CD 1 -ATOM 2345 C CE . LYS B 1 61 ? 73.412 31.125 11.974 1.00 11.30 ? 61 LYS B CE 1 -ATOM 2346 N NZ . LYS B 1 61 ? 73.101 30.091 10.945 1.00 12.07 ? 61 LYS B NZ 1 -ATOM 2347 N N . GLU B 1 62 ? 71.011 35.849 14.404 1.00 7.89 ? 62 GLU B N 1 -ATOM 2348 C CA . GLU B 1 62 ? 71.312 37.032 13.616 1.00 8.47 ? 62 GLU B CA 1 -ATOM 2349 C C . GLU B 1 62 ? 71.766 38.240 14.425 1.00 8.17 ? 62 GLU B C 1 -ATOM 2350 O O . GLU B 1 62 ? 72.396 39.142 13.873 1.00 8.13 ? 62 GLU B O 1 -ATOM 2351 C CB . GLU B 1 62 ? 70.117 37.392 12.727 1.00 9.41 ? 62 GLU B CB 1 -ATOM 2352 C CG . GLU B 1 62 ? 69.682 36.240 11.824 1.00 11.85 ? 62 GLU B CG 1 -ATOM 2353 C CD . GLU B 1 62 ? 68.861 36.684 10.625 1.00 12.41 ? 62 GLU B CD 1 -ATOM 2354 O OE1 . GLU B 1 62 ? 68.039 37.613 10.763 1.00 13.87 ? 62 GLU B OE1 1 -ATOM 2355 O OE2 . GLU B 1 62 ? 69.030 36.085 9.542 1.00 13.84 ? 62 GLU B OE2 1 -ATOM 2356 N N . GLN B 1 63 ? 71.463 38.266 15.723 1.00 7.80 ? 63 GLN B N 1 -ATOM 2357 C CA . GLN B 1 63 ? 71.906 39.382 16.559 1.00 7.72 ? 63 GLN B CA 1 -ATOM 2358 C C . GLN B 1 63 ? 73.184 39.005 17.306 1.00 7.68 ? 63 GLN B C 1 -ATOM 2359 O O . GLN B 1 63 ? 73.607 39.702 18.229 1.00 7.88 ? 63 GLN B O 1 -ATOM 2360 C CB . GLN B 1 63 ? 70.823 39.816 17.558 1.00 7.53 ? 63 GLN B CB 1 -ATOM 2361 C CG . GLN B 1 63 ? 70.396 38.757 18.561 1.00 7.28 ? 63 GLN B CG 1 -ATOM 2362 C CD . GLN B 1 63 ? 69.412 39.290 19.592 1.00 7.33 ? 63 GLN B CD 1 -ATOM 2363 O OE1 . GLN B 1 63 ? 68.666 40.234 19.330 1.00 7.77 ? 63 GLN B OE1 1 -ATOM 2364 N NE2 . GLN B 1 63 ? 69.392 38.669 20.766 1.00 7.37 ? 63 GLN B NE2 1 -ATOM 2365 N N . GLY B 1 64 ? 73.790 37.893 16.903 1.00 7.86 ? 64 GLY B N 1 -ATOM 2366 C CA . GLY B 1 64 ? 75.034 37.460 17.513 1.00 8.15 ? 64 GLY B CA 1 -ATOM 2367 C C . GLY B 1 64 ? 74.975 36.896 18.918 1.00 8.60 ? 64 GLY B C 1 -ATOM 2368 O O . GLY B 1 64 ? 75.977 36.929 19.631 1.00 8.97 ? 64 GLY B O 1 -ATOM 2369 N N . THR B 1 65 ? 73.822 36.376 19.327 1.00 8.61 ? 65 THR B N 1 -ATOM 2370 C CA . THR B 1 65 ? 73.693 35.792 20.659 1.00 8.58 ? 65 THR B CA 1 -ATOM 2371 C C . THR B 1 65 ? 73.168 34.360 20.592 1.00 8.67 ? 65 THR B C 1 -ATOM 2372 O O . THR B 1 65 ? 72.144 34.035 21.192 1.00 8.34 ? 65 THR B O 1 -ATOM 2373 C CB . THR B 1 65 ? 72.755 36.628 21.560 1.00 8.49 ? 65 THR B CB 1 -ATOM 2374 O OG1 . THR B 1 65 ? 71.434 36.647 21.006 1.00 8.17 ? 65 THR B OG1 1 -ATOM 2375 C CG2 . THR B 1 65 ? 73.268 38.048 21.675 1.00 8.90 ? 65 THR B CG2 1 -ATOM 2376 N N . PRO B 1 66 ? 73.868 33.478 19.860 1.00 8.97 ? 66 PRO B N 1 -ATOM 2377 C CA . PRO B 1 66 ? 73.412 32.089 19.758 1.00 9.33 ? 66 PRO B CA 1 -ATOM 2378 C C . PRO B 1 66 ? 73.543 31.321 21.069 1.00 9.60 ? 66 PRO B C 1 -ATOM 2379 O O . PRO B 1 66 ? 72.983 30.233 21.212 1.00 9.64 ? 66 PRO B O 1 -ATOM 2380 C CB . PRO B 1 66 ? 74.300 31.517 18.657 1.00 9.49 ? 66 PRO B CB 1 -ATOM 2381 C CG . PRO B 1 66 ? 75.580 32.259 18.853 1.00 9.43 ? 66 PRO B CG 1 -ATOM 2382 C CD . PRO B 1 66 ? 75.107 33.682 19.088 1.00 9.23 ? 66 PRO B CD 1 -ATOM 2383 N N . GLU B 1 67 ? 74.278 31.892 22.021 1.00 9.79 ? 67 GLU B N 1 -ATOM 2384 C CA . GLU B 1 67 ? 74.484 31.254 23.319 1.00 9.96 ? 67 GLU B CA 1 -ATOM 2385 C C . GLU B 1 67 ? 73.259 31.378 24.215 1.00 9.50 ? 67 GLU B C 1 -ATOM 2386 O O . GLU B 1 67 ? 73.187 30.737 25.266 1.00 9.65 ? 67 GLU B O 1 -ATOM 2387 C CB . GLU B 1 67 ? 75.698 31.851 24.037 1.00 10.95 ? 67 GLU B CB 1 -ATOM 2388 C CG . GLU B 1 67 ? 75.512 33.292 24.481 1.00 12.37 ? 67 GLU B CG 1 -ATOM 2389 C CD . GLU B 1 67 ? 76.038 34.294 23.475 1.00 13.06 ? 67 GLU B CD 1 -ATOM 2390 O OE1 . GLU B 1 67 ? 75.801 34.110 22.263 1.00 13.48 ? 67 GLU B OE1 1 -ATOM 2391 O OE2 . GLU B 1 67 ? 76.686 35.273 23.902 1.00 14.29 ? 67 GLU B OE2 1 -ATOM 2392 N N . ILE B 1 68 ? 72.311 32.225 23.828 1.00 8.54 ? 68 ILE B N 1 -ATOM 2393 C CA . ILE B 1 68 ? 71.086 32.361 24.607 1.00 8.14 ? 68 ILE B CA 1 -ATOM 2394 C C . ILE B 1 68 ? 70.259 31.137 24.235 1.00 7.97 ? 68 ILE B C 1 -ATOM 2395 O O . ILE B 1 68 ? 69.837 30.976 23.088 1.00 7.80 ? 68 ILE B O 1 -ATOM 2396 C CB . ILE B 1 68 ? 70.321 33.658 24.265 1.00 7.80 ? 68 ILE B CB 1 -ATOM 2397 C CG1 . ILE B 1 68 ? 71.152 34.872 24.702 1.00 7.94 ? 68 ILE B CG1 1 -ATOM 2398 C CG2 . ILE B 1 68 ? 68.966 33.663 24.965 1.00 7.82 ? 68 ILE B CG2 1 -ATOM 2399 C CD1 . ILE B 1 68 ? 70.510 36.224 24.397 1.00 7.95 ? 68 ILE B CD1 1 -ATOM 2400 N N . ARG B 1 69 ? 70.066 30.258 25.210 1.00 7.70 ? 69 ARG B N 1 -ATOM 2401 C CA . ARG B 1 69 ? 69.335 29.015 25.013 1.00 7.71 ? 69 ARG B CA 1 -ATOM 2402 C C . ARG B 1 69 ? 67.843 29.211 24.809 1.00 6.92 ? 69 ARG B C 1 -ATOM 2403 O O . ARG B 1 69 ? 67.276 30.227 25.207 1.00 6.55 ? 69 ARG B O 1 -ATOM 2404 C CB . ARG B 1 69 ? 69.587 28.089 26.210 1.00 9.07 ? 69 ARG B CB 1 -ATOM 2405 C CG . ARG B 1 69 ? 71.034 27.607 26.284 1.00 11.05 ? 69 ARG B CG 1 -ATOM 2406 C CD . ARG B 1 69 ? 71.401 26.964 27.613 1.00 13.23 ? 69 ARG B CD 1 -ATOM 2407 N NE . ARG B 1 69 ? 71.757 27.957 28.623 1.00 14.59 ? 69 ARG B NE 1 -ATOM 2408 C CZ . ARG B 1 69 ? 72.694 28.888 28.452 1.00 15.13 ? 69 ARG B CZ 1 -ATOM 2409 N NH1 . ARG B 1 69 ? 73.372 28.952 27.314 1.00 15.99 ? 69 ARG B NH1 1 -ATOM 2410 N NH2 . ARG B 1 69 ? 72.944 29.766 29.408 1.00 15.14 ? 69 ARG B NH2 1 -ATOM 2411 N N . ILE B 1 70 ? 67.208 28.239 24.163 1.00 6.25 ? 70 ILE B N 1 -ATOM 2412 C CA . ILE B 1 70 ? 65.772 28.320 23.948 1.00 5.83 ? 70 ILE B CA 1 -ATOM 2413 C C . ILE B 1 70 ? 65.055 27.205 24.703 1.00 5.59 ? 70 ILE B C 1 -ATOM 2414 O O . ILE B 1 70 ? 65.229 26.014 24.416 1.00 5.54 ? 70 ILE B O 1 -ATOM 2415 C CB . ILE B 1 70 ? 65.406 28.230 22.450 1.00 5.87 ? 70 ILE B CB 1 -ATOM 2416 C CG1 . ILE B 1 70 ? 66.067 29.375 21.677 1.00 5.89 ? 70 ILE B CG1 1 -ATOM 2417 C CG2 . ILE B 1 70 ? 63.888 28.301 22.290 1.00 5.87 ? 70 ILE B CG2 1 -ATOM 2418 C CD1 . ILE B 1 70 ? 65.822 29.326 20.180 1.00 6.22 ? 70 ILE B CD1 1 -ATOM 2419 N N . ALA B 1 71 ? 64.269 27.604 25.692 1.00 5.20 ? 71 ALA B N 1 -ATOM 2420 C CA . ALA B 1 71 ? 63.489 26.666 26.478 1.00 5.12 ? 71 ALA B CA 1 -ATOM 2421 C C . ALA B 1 71 ? 62.035 26.812 26.055 1.00 5.08 ? 71 ALA B C 1 -ATOM 2422 O O . ALA B 1 71 ? 61.624 27.851 25.528 1.00 5.11 ? 71 ALA B O 1 -ATOM 2423 C CB . ALA B 1 71 ? 63.638 26.968 27.969 1.00 5.01 ? 71 ALA B CB 1 -ATOM 2424 N N . THR B 1 72 ? 61.254 25.766 26.277 1.00 4.89 ? 72 THR B N 1 -ATOM 2425 C CA . THR B 1 72 ? 59.846 25.806 25.931 1.00 4.88 ? 72 THR B CA 1 -ATOM 2426 C C . THR B 1 72 ? 59.087 24.976 26.964 1.00 4.94 ? 72 THR B C 1 -ATOM 2427 O O . THR B 1 72 ? 59.687 24.460 27.911 1.00 5.10 ? 72 THR B O 1 -ATOM 2428 C CB . THR B 1 72 ? 59.626 25.279 24.482 1.00 4.96 ? 72 THR B CB 1 -ATOM 2429 O OG1 . THR B 1 72 ? 58.278 25.541 24.071 1.00 5.25 ? 72 THR B OG1 1 -ATOM 2430 C CG2 . THR B 1 72 ? 59.912 23.791 24.393 1.00 5.16 ? 72 THR B CG2 1 -ATOM 2431 N N . VAL B 1 73 ? 57.775 24.862 26.799 1.00 4.97 ? 73 VAL B N 1 -ATOM 2432 C CA . VAL B 1 73 ? 56.955 24.110 27.740 1.00 5.12 ? 73 VAL B CA 1 -ATOM 2433 C C . VAL B 1 73 ? 56.074 23.091 27.034 1.00 4.91 ? 73 VAL B C 1 -ATOM 2434 O O . VAL B 1 73 ? 55.628 23.325 25.911 1.00 5.13 ? 73 VAL B O 1 -ATOM 2435 C CB . VAL B 1 73 ? 56.033 25.055 28.554 1.00 5.13 ? 73 VAL B CB 1 -ATOM 2436 C CG1 . VAL B 1 73 ? 56.866 25.976 29.438 1.00 5.70 ? 73 VAL B CG1 1 -ATOM 2437 C CG2 . VAL B 1 73 ? 55.159 25.870 27.606 1.00 5.87 ? 73 VAL B CG2 1 -ATOM 2438 N N . THR B 1 74 ? 55.841 21.957 27.695 1.00 4.83 ? 74 THR B N 1 -ATOM 2439 C CA . THR B 1 74 ? 54.980 20.900 27.166 1.00 4.78 ? 74 THR B CA 1 -ATOM 2440 C C . THR B 1 74 ? 54.086 20.363 28.294 1.00 4.70 ? 74 THR B C 1 -ATOM 2441 O O . THR B 1 74 ? 54.371 20.583 29.482 1.00 4.55 ? 74 THR B O 1 -ATOM 2442 C CB . THR B 1 74 ? 55.795 19.747 26.519 1.00 4.84 ? 74 THR B CB 1 -ATOM 2443 O OG1 . THR B 1 74 ? 56.675 19.161 27.486 1.00 4.58 ? 74 THR B OG1 1 -ATOM 2444 C CG2 . THR B 1 74 ? 56.612 20.273 25.346 1.00 4.82 ? 74 THR B CG2 1 -ATOM 2445 N N . ASN B 1 75 ? 53.005 19.676 27.913 1.00 4.77 ? 75 ASN B N 1 -ATOM 2446 C CA . ASN B 1 75 ? 52.003 19.148 28.853 1.00 4.67 ? 75 ASN B CA 1 -ATOM 2447 C C . ASN B 1 75 ? 51.598 20.320 29.734 1.00 4.80 ? 75 ASN B C 1 -ATOM 2448 O O . ASN B 1 75 ? 51.258 20.164 30.905 1.00 4.87 ? 75 ASN B O 1 -ATOM 2449 C CB . ASN B 1 75 ? 52.588 18.019 29.710 1.00 4.54 ? 75 ASN B CB 1 -ATOM 2450 C CG . ASN B 1 75 ? 51.512 17.092 30.249 1.00 4.53 ? 75 ASN B CG 1 -ATOM 2451 O OD1 . ASN B 1 75 ? 50.569 16.756 29.537 1.00 5.19 ? 75 ASN B OD1 1 -ATOM 2452 N ND2 . ASN B 1 75 ? 51.655 16.665 31.499 1.00 4.47 ? 75 ASN B ND2 1 -ATOM 2453 N N . PHE B 1 76 ? 51.576 21.489 29.107 1.00 4.91 ? 76 PHE B N 1 -ATOM 2454 C CA . PHE B 1 76 ? 51.350 22.767 29.766 1.00 5.38 ? 76 PHE B CA 1 -ATOM 2455 C C . PHE B 1 76 ? 50.039 23.485 29.439 1.00 5.55 ? 76 PHE B C 1 -ATOM 2456 O O . PHE B 1 76 ? 49.585 23.481 28.298 1.00 5.96 ? 76 PHE B O 1 -ATOM 2457 C CB . PHE B 1 76 ? 52.563 23.626 29.392 1.00 5.05 ? 76 PHE B CB 1 -ATOM 2458 C CG . PHE B 1 76 ? 52.580 24.998 29.991 1.00 4.75 ? 76 PHE B CG 1 -ATOM 2459 C CD1 . PHE B 1 76 ? 51.824 26.027 29.437 1.00 4.98 ? 76 PHE B CD1 1 -ATOM 2460 C CD2 . PHE B 1 76 ? 53.415 25.283 31.067 1.00 4.93 ? 76 PHE B CD2 1 -ATOM 2461 C CE1 . PHE B 1 76 ? 51.905 27.322 29.942 1.00 5.06 ? 76 PHE B CE1 1 -ATOM 2462 C CE2 . PHE B 1 76 ? 53.503 26.573 31.578 1.00 5.01 ? 76 PHE B CE2 1 -ATOM 2463 C CZ . PHE B 1 76 ? 52.747 27.594 31.014 1.00 5.30 ? 76 PHE B CZ 1 -ATOM 2464 N N . PRO B 1 77 ? 49.416 24.129 30.443 1.00 5.79 ? 77 PRO B N 1 -ATOM 2465 C CA . PRO B 1 77 ? 49.864 24.215 31.838 1.00 5.91 ? 77 PRO B CA 1 -ATOM 2466 C C . PRO B 1 77 ? 49.166 23.174 32.715 1.00 5.96 ? 77 PRO B C 1 -ATOM 2467 O O . PRO B 1 77 ? 49.469 23.036 33.898 1.00 6.02 ? 77 PRO B O 1 -ATOM 2468 C CB . PRO B 1 77 ? 49.456 25.627 32.225 1.00 6.04 ? 77 PRO B CB 1 -ATOM 2469 C CG . PRO B 1 77 ? 48.112 25.737 31.558 1.00 6.13 ? 77 PRO B CG 1 -ATOM 2470 C CD . PRO B 1 77 ? 48.359 25.126 30.179 1.00 6.12 ? 77 PRO B CD 1 -ATOM 2471 N N . HIS B 1 78 ? 48.243 22.440 32.102 1.00 6.06 ? 78 HIS B N 1 -ATOM 2472 C CA . HIS B 1 78 ? 47.421 21.442 32.780 1.00 6.21 ? 78 HIS B CA 1 -ATOM 2473 C C . HIS B 1 78 ? 48.096 20.322 33.565 1.00 6.04 ? 78 HIS B C 1 -ATOM 2474 O O . HIS B 1 78 ? 47.625 19.954 34.638 1.00 6.29 ? 78 HIS B O 1 -ATOM 2475 C CB . HIS B 1 78 ? 46.460 20.817 31.769 1.00 6.50 ? 78 HIS B CB 1 -ATOM 2476 C CG . HIS B 1 78 ? 47.142 20.258 30.561 1.00 6.94 ? 78 HIS B CG 1 -ATOM 2477 N ND1 . HIS B 1 78 ? 47.154 20.904 29.343 1.00 7.77 ? 78 HIS B ND1 1 -ATOM 2478 C CD2 . HIS B 1 78 ? 47.858 19.121 30.391 1.00 6.94 ? 78 HIS B CD2 1 -ATOM 2479 C CE1 . HIS B 1 78 ? 47.846 20.187 28.475 1.00 7.36 ? 78 HIS B CE1 1 -ATOM 2480 N NE2 . HIS B 1 78 ? 48.284 19.101 29.086 1.00 7.99 ? 78 HIS B NE2 1 -ATOM 2481 N N . GLY B 1 79 ? 49.179 19.763 33.042 1.00 5.98 ? 79 GLY B N 1 -ATOM 2482 C CA . GLY B 1 79 ? 49.822 18.670 33.745 1.00 5.98 ? 79 GLY B CA 1 -ATOM 2483 C C . GLY B 1 79 ? 48.948 17.427 33.727 1.00 6.04 ? 79 GLY B C 1 -ATOM 2484 O O . GLY B 1 79 ? 48.859 16.703 34.719 1.00 5.93 ? 79 GLY B O 1 -ATOM 2485 N N . ASN B 1 80 ? 48.293 17.178 32.597 1.00 6.18 ? 80 ASN B N 1 -ATOM 2486 C CA . ASN B 1 80 ? 47.438 16.003 32.472 1.00 6.71 ? 80 ASN B CA 1 -ATOM 2487 C C . ASN B 1 80 ? 48.291 14.743 32.584 1.00 6.90 ? 80 ASN B C 1 -ATOM 2488 O O . ASN B 1 80 ? 49.516 14.799 32.471 1.00 6.78 ? 80 ASN B O 1 -ATOM 2489 C CB . ASN B 1 80 ? 46.672 16.032 31.145 1.00 7.00 ? 80 ASN B CB 1 -ATOM 2490 C CG . ASN B 1 80 ? 45.607 17.115 31.115 1.00 7.59 ? 80 ASN B CG 1 -ATOM 2491 O OD1 . ASN B 1 80 ? 45.189 17.618 32.162 1.00 8.22 ? 80 ASN B OD1 1 -ATOM 2492 N ND2 . ASN B 1 80 ? 45.158 17.474 29.917 1.00 8.16 ? 80 ASN B ND2 1 -ATOM 2493 N N . ASP B 1 81 ? 47.647 13.603 32.806 1.00 7.18 ? 81 ASP B N 1 -ATOM 2494 C CA . ASP B 1 81 ? 48.392 12.365 32.976 1.00 7.50 ? 81 ASP B CA 1 -ATOM 2495 C C . ASP B 1 81 ? 48.432 11.451 31.754 1.00 7.42 ? 81 ASP B C 1 -ATOM 2496 O O . ASP B 1 81 ? 48.613 10.241 31.883 1.00 7.41 ? 81 ASP B O 1 -ATOM 2497 C CB . ASP B 1 81 ? 47.856 11.608 34.196 1.00 8.41 ? 81 ASP B CB 1 -ATOM 2498 C CG . ASP B 1 81 ? 46.569 10.875 33.910 1.00 9.10 ? 81 ASP B CG 1 -ATOM 2499 O OD1 . ASP B 1 81 ? 45.798 11.327 33.038 1.00 9.25 ? 81 ASP B OD1 1 -ATOM 2500 O OD2 . ASP B 1 81 ? 46.325 9.844 34.575 1.00 10.23 ? 81 ASP B OD2 1 -ATOM 2501 N N . ASP B 1 82 ? 48.259 12.028 30.568 1.00 7.26 ? 82 ASP B N 1 -ATOM 2502 C CA . ASP B 1 82 ? 48.325 11.244 29.339 1.00 7.12 ? 82 ASP B CA 1 -ATOM 2503 C C . ASP B 1 82 ? 49.773 11.338 28.859 1.00 6.99 ? 82 ASP B C 1 -ATOM 2504 O O . ASP B 1 82 ? 50.204 12.362 28.318 1.00 6.81 ? 82 ASP B O 1 -ATOM 2505 C CB . ASP B 1 82 ? 47.379 11.803 28.271 1.00 7.73 ? 82 ASP B CB 1 -ATOM 2506 C CG . ASP B 1 82 ? 47.295 10.911 27.043 1.00 8.09 ? 82 ASP B CG 1 -ATOM 2507 O OD1 . ASP B 1 82 ? 48.354 10.439 26.582 1.00 8.53 ? 82 ASP B OD1 1 -ATOM 2508 O OD2 . ASP B 1 82 ? 46.174 10.690 26.530 1.00 9.29 ? 82 ASP B OD2 1 -ATOM 2509 N N . ILE B 1 83 ? 50.524 10.267 29.077 1.00 6.92 ? 83 ILE B N 1 -ATOM 2510 C CA . ILE B 1 83 ? 51.927 10.215 28.695 1.00 6.97 ? 83 ILE B CA 1 -ATOM 2511 C C . ILE B 1 83 ? 52.138 10.298 27.184 1.00 6.96 ? 83 ILE B C 1 -ATOM 2512 O O . ILE B 1 83 ? 53.102 10.911 26.718 1.00 6.82 ? 83 ILE B O 1 -ATOM 2513 C CB . ILE B 1 83 ? 52.585 8.928 29.243 1.00 7.19 ? 83 ILE B CB 1 -ATOM 2514 C CG1 . ILE B 1 83 ? 52.438 8.892 30.768 1.00 7.83 ? 83 ILE B CG1 1 -ATOM 2515 C CG2 . ILE B 1 83 ? 54.055 8.878 28.845 1.00 7.70 ? 83 ILE B CG2 1 -ATOM 2516 C CD1 . ILE B 1 83 ? 52.887 7.585 31.402 1.00 8.34 ? 83 ILE B CD1 1 -ATOM 2517 N N . ASP B 1 84 ? 51.242 9.691 26.414 1.00 7.04 ? 84 ASP B N 1 -ATOM 2518 C CA . ASP B 1 84 ? 51.380 9.733 24.961 1.00 7.30 ? 84 ASP B CA 1 -ATOM 2519 C C . ASP B 1 84 ? 51.331 11.170 24.451 1.00 6.85 ? 84 ASP B C 1 -ATOM 2520 O O . ASP B 1 84 ? 52.118 11.561 23.590 1.00 6.76 ? 84 ASP B O 1 -ATOM 2521 C CB . ASP B 1 84 ? 50.283 8.897 24.291 1.00 8.32 ? 84 ASP B CB 1 -ATOM 2522 C CG . ASP B 1 84 ? 50.432 7.412 24.571 1.00 9.41 ? 84 ASP B CG 1 -ATOM 2523 O OD1 . ASP B 1 84 ? 51.545 6.877 24.387 1.00 10.51 ? 84 ASP B OD1 1 -ATOM 2524 O OD2 . ASP B 1 84 ? 49.435 6.779 24.968 1.00 11.03 ? 84 ASP B OD2 1 -ATOM 2525 N N . ILE B 1 85 ? 50.414 11.962 24.994 1.00 6.44 ? 85 ILE B N 1 -ATOM 2526 C CA . ILE B 1 85 ? 50.287 13.354 24.580 1.00 6.18 ? 85 ILE B CA 1 -ATOM 2527 C C . ILE B 1 85 ? 51.497 14.172 25.038 1.00 5.99 ? 85 ILE B C 1 -ATOM 2528 O O . ILE B 1 85 ? 52.062 14.946 24.266 1.00 5.76 ? 85 ILE B O 1 -ATOM 2529 C CB . ILE B 1 85 ? 48.968 13.972 25.126 1.00 6.15 ? 85 ILE B CB 1 -ATOM 2530 C CG1 . ILE B 1 85 ? 47.774 13.366 24.375 1.00 6.41 ? 85 ILE B CG1 1 -ATOM 2531 C CG2 . ILE B 1 85 ? 48.994 15.492 24.986 1.00 6.39 ? 85 ILE B CG2 1 -ATOM 2532 C CD1 . ILE B 1 85 ? 46.417 13.946 24.760 1.00 6.29 ? 85 ILE B CD1 1 -ATOM 2533 N N . ALA B 1 86 ? 51.910 13.990 26.288 1.00 5.78 ? 86 ALA B N 1 -ATOM 2534 C CA . ALA B 1 86 ? 53.058 14.724 26.809 1.00 5.56 ? 86 ALA B CA 1 -ATOM 2535 C C . ALA B 1 86 ? 54.317 14.401 26.003 1.00 5.59 ? 86 ALA B C 1 -ATOM 2536 O O . ALA B 1 86 ? 55.124 15.286 25.707 1.00 5.49 ? 86 ALA B O 1 -ATOM 2537 C CB . ALA B 1 86 ? 53.266 14.390 28.287 1.00 5.51 ? 86 ALA B CB 1 -ATOM 2538 N N . LEU B 1 87 ? 54.479 13.135 25.634 1.00 5.72 ? 87 LEU B N 1 -ATOM 2539 C CA . LEU B 1 87 ? 55.647 12.723 24.865 1.00 5.77 ? 87 LEU B CA 1 -ATOM 2540 C C . LEU B 1 87 ? 55.607 13.278 23.441 1.00 5.71 ? 87 LEU B C 1 -ATOM 2541 O O . LEU B 1 87 ? 56.630 13.706 22.906 1.00 5.76 ? 87 LEU B O 1 -ATOM 2542 C CB . LEU B 1 87 ? 55.746 11.195 24.834 1.00 6.36 ? 87 LEU B CB 1 -ATOM 2543 C CG . LEU B 1 87 ? 56.935 10.615 24.062 1.00 6.65 ? 87 LEU B CG 1 -ATOM 2544 C CD1 . LEU B 1 87 ? 58.253 11.133 24.631 1.00 7.07 ? 87 LEU B CD1 1 -ATOM 2545 C CD2 . LEU B 1 87 ? 56.879 9.099 24.143 1.00 7.20 ? 87 LEU B CD2 1 -ATOM 2546 N N . ALA B 1 88 ? 54.430 13.270 22.824 1.00 5.47 ? 88 ALA B N 1 -ATOM 2547 C CA . ALA B 1 88 ? 54.298 13.789 21.469 1.00 5.50 ? 88 ALA B CA 1 -ATOM 2548 C C . ALA B 1 88 ? 54.637 15.276 21.445 1.00 5.39 ? 88 ALA B C 1 -ATOM 2549 O O . ALA B 1 88 ? 55.338 15.746 20.546 1.00 5.56 ? 88 ALA B O 1 -ATOM 2550 C CB . ALA B 1 88 ? 52.883 13.565 20.949 1.00 5.58 ? 88 ALA B CB 1 -ATOM 2551 N N . GLU B 1 89 ? 54.139 16.019 22.430 1.00 5.31 ? 89 GLU B N 1 -ATOM 2552 C CA . GLU B 1 89 ? 54.416 17.448 22.500 1.00 5.21 ? 89 GLU B CA 1 -ATOM 2553 C C . GLU B 1 89 ? 55.904 17.689 22.703 1.00 5.26 ? 89 GLU B C 1 -ATOM 2554 O O . GLU B 1 89 ? 56.485 18.593 22.099 1.00 5.17 ? 89 GLU B O 1 -ATOM 2555 C CB . GLU B 1 89 ? 53.623 18.095 23.639 1.00 5.45 ? 89 GLU B CB 1 -ATOM 2556 C CG . GLU B 1 89 ? 52.117 17.976 23.460 1.00 5.94 ? 89 GLU B CG 1 -ATOM 2557 C CD . GLU B 1 89 ? 51.330 18.789 24.465 1.00 6.53 ? 89 GLU B CD 1 -ATOM 2558 O OE1 . GLU B 1 89 ? 51.915 19.221 25.481 1.00 6.97 ? 89 GLU B OE1 1 -ATOM 2559 O OE2 . GLU B 1 89 ? 50.116 18.986 24.245 1.00 6.98 ? 89 GLU B OE2 1 -ATOM 2560 N N . THR B 1 90 ? 56.522 16.868 23.543 1.00 5.03 ? 90 THR B N 1 -ATOM 2561 C CA . THR B 1 90 ? 57.945 16.993 23.819 1.00 4.83 ? 90 THR B CA 1 -ATOM 2562 C C . THR B 1 90 ? 58.770 16.678 22.563 1.00 4.78 ? 90 THR B C 1 -ATOM 2563 O O . THR B 1 90 ? 59.739 17.376 22.257 1.00 4.26 ? 90 THR B O 1 -ATOM 2564 C CB . THR B 1 90 ? 58.334 16.068 24.996 1.00 4.82 ? 90 THR B CB 1 -ATOM 2565 O OG1 . THR B 1 90 ? 57.667 16.521 26.184 1.00 5.30 ? 90 THR B OG1 1 -ATOM 2566 C CG2 . THR B 1 90 ? 59.832 16.084 25.234 1.00 5.04 ? 90 THR B CG2 1 -ATOM 2567 N N . ARG B 1 91 ? 58.382 15.642 21.824 1.00 4.90 ? 91 ARG B N 1 -ATOM 2568 C CA . ARG B 1 91 ? 59.100 15.303 20.603 1.00 5.38 ? 91 ARG B CA 1 -ATOM 2569 C C . ARG B 1 91 ? 58.927 16.423 19.579 1.00 5.07 ? 91 ARG B C 1 -ATOM 2570 O O . ARG B 1 91 ? 59.845 16.722 18.823 1.00 4.94 ? 91 ARG B O 1 -ATOM 2571 C CB . ARG B 1 91 ? 58.619 13.956 20.046 1.00 6.42 ? 91 ARG B CB 1 -ATOM 2572 C CG . ARG B 1 91 ? 59.157 12.775 20.849 1.00 8.33 ? 91 ARG B CG 1 -ATOM 2573 C CD . ARG B 1 91 ? 58.622 11.424 20.403 1.00 10.07 ? 91 ARG B CD 1 -ATOM 2574 N NE . ARG B 1 91 ? 59.361 10.343 21.053 1.00 11.63 ? 91 ARG B NE 1 -ATOM 2575 C CZ . ARG B 1 91 ? 58.951 9.081 21.136 1.00 12.46 ? 91 ARG B CZ 1 -ATOM 2576 N NH1 . ARG B 1 91 ? 57.787 8.716 20.613 1.00 13.02 ? 91 ARG B NH1 1 -ATOM 2577 N NH2 . ARG B 1 91 ? 59.719 8.179 21.734 1.00 13.03 ? 91 ARG B NH2 1 -ATOM 2578 N N . ALA B 1 92 ? 57.756 17.054 19.566 1.00 4.76 ? 92 ALA B N 1 -ATOM 2579 C CA . ALA B 1 92 ? 57.519 18.160 18.642 1.00 4.59 ? 92 ALA B CA 1 -ATOM 2580 C C . ALA B 1 92 ? 58.416 19.337 19.024 1.00 4.54 ? 92 ALA B C 1 -ATOM 2581 O O . ALA B 1 92 ? 59.011 19.976 18.160 1.00 4.33 ? 92 ALA B O 1 -ATOM 2582 C CB . ALA B 1 92 ? 56.049 18.577 18.674 1.00 4.46 ? 92 ALA B CB 1 -ATOM 2583 N N . ALA B 1 93 ? 58.522 19.611 20.322 1.00 4.51 ? 93 ALA B N 1 -ATOM 2584 C CA . ALA B 1 93 ? 59.365 20.699 20.805 1.00 4.67 ? 93 ALA B CA 1 -ATOM 2585 C C . ALA B 1 93 ? 60.812 20.456 20.379 1.00 4.71 ? 93 ALA B C 1 -ATOM 2586 O O . ALA B 1 93 ? 61.518 21.382 19.970 1.00 4.81 ? 93 ALA B O 1 -ATOM 2587 C CB . ALA B 1 93 ? 59.278 20.794 22.319 1.00 4.69 ? 93 ALA B CB 1 -ATOM 2588 N N . ILE B 1 94 ? 61.250 19.204 20.482 1.00 4.93 ? 94 ILE B N 1 -ATOM 2589 C CA . ILE B 1 94 ? 62.604 18.838 20.091 1.00 5.30 ? 94 ILE B CA 1 -ATOM 2590 C C . ILE B 1 94 ? 62.777 19.089 18.593 1.00 5.46 ? 94 ILE B C 1 -ATOM 2591 O O . ILE B 1 94 ? 63.787 19.647 18.163 1.00 5.64 ? 94 ILE B O 1 -ATOM 2592 C CB . ILE B 1 94 ? 62.884 17.346 20.419 1.00 5.46 ? 94 ILE B CB 1 -ATOM 2593 C CG1 . ILE B 1 94 ? 62.963 17.160 21.939 1.00 5.69 ? 94 ILE B CG1 1 -ATOM 2594 C CG2 . ILE B 1 94 ? 64.175 16.882 19.752 1.00 5.88 ? 94 ILE B CG2 1 -ATOM 2595 C CD1 . ILE B 1 94 ? 62.943 15.706 22.385 1.00 6.13 ? 94 ILE B CD1 1 -ATOM 2596 N N . ALA B 1 95 ? 61.780 18.690 17.804 1.00 5.40 ? 95 ALA B N 1 -ATOM 2597 C CA . ALA B 1 95 ? 61.829 18.870 16.355 1.00 5.63 ? 95 ALA B CA 1 -ATOM 2598 C C . ALA B 1 95 ? 61.863 20.348 15.958 1.00 5.78 ? 95 ALA B C 1 -ATOM 2599 O O . ALA B 1 95 ? 62.519 20.718 14.979 1.00 6.16 ? 95 ALA B O 1 -ATOM 2600 C CB . ALA B 1 95 ? 60.637 18.171 15.703 1.00 5.61 ? 95 ALA B CB 1 -ATOM 2601 N N . TYR B 1 96 ? 61.151 21.188 16.707 1.00 5.68 ? 96 TYR B N 1 -ATOM 2602 C CA . TYR B 1 96 ? 61.134 22.626 16.437 1.00 5.71 ? 96 TYR B CA 1 -ATOM 2603 C C . TYR B 1 96 ? 62.538 23.185 16.633 1.00 5.85 ? 96 TYR B C 1 -ATOM 2604 O O . TYR B 1 96 ? 62.917 24.160 15.987 1.00 6.51 ? 96 TYR B O 1 -ATOM 2605 C CB . TYR B 1 96 ? 60.188 23.359 17.391 1.00 5.02 ? 96 TYR B CB 1 -ATOM 2606 C CG . TYR B 1 96 ? 58.732 23.428 16.971 1.00 4.32 ? 96 TYR B CG 1 -ATOM 2607 C CD1 . TYR B 1 96 ? 58.352 24.035 15.772 1.00 4.07 ? 96 TYR B CD1 1 -ATOM 2608 C CD2 . TYR B 1 96 ? 57.725 22.973 17.821 1.00 4.30 ? 96 TYR B CD2 1 -ATOM 2609 C CE1 . TYR B 1 96 ? 57.003 24.196 15.439 1.00 4.09 ? 96 TYR B CE1 1 -ATOM 2610 C CE2 . TYR B 1 96 ? 56.379 23.130 17.498 1.00 4.20 ? 96 TYR B CE2 1 -ATOM 2611 C CZ . TYR B 1 96 ? 56.022 23.744 16.311 1.00 4.21 ? 96 TYR B CZ 1 -ATOM 2612 O OH . TYR B 1 96 ? 54.684 23.923 16.023 1.00 4.84 ? 96 TYR B OH 1 -ATOM 2613 N N . GLY B 1 97 ? 63.290 22.575 17.548 1.00 6.09 ? 97 GLY B N 1 -ATOM 2614 C CA . GLY B 1 97 ? 64.649 23.014 17.815 1.00 6.18 ? 97 GLY B CA 1 -ATOM 2615 C C . GLY B 1 97 ? 64.933 23.450 19.244 1.00 6.13 ? 97 GLY B C 1 -ATOM 2616 O O . GLY B 1 97 ? 65.915 24.142 19.492 1.00 6.63 ? 97 GLY B O 1 -ATOM 2617 N N . ALA B 1 98 ? 64.103 23.042 20.197 1.00 5.93 ? 98 ALA B N 1 -ATOM 2618 C CA . ALA B 1 98 ? 64.320 23.444 21.586 1.00 5.74 ? 98 ALA B CA 1 -ATOM 2619 C C . ALA B 1 98 ? 65.636 22.944 22.172 1.00 5.71 ? 98 ALA B C 1 -ATOM 2620 O O . ALA B 1 98 ? 66.106 21.859 21.836 1.00 5.64 ? 98 ALA B O 1 -ATOM 2621 C CB . ALA B 1 98 ? 63.165 22.957 22.450 1.00 5.88 ? 98 ALA B CB 1 -ATOM 2622 N N . ASP B 1 99 ? 66.236 23.753 23.043 1.00 5.79 ? 99 ASP B N 1 -ATOM 2623 C CA . ASP B 1 99 ? 67.461 23.355 23.730 1.00 5.77 ? 99 ASP B CA 1 -ATOM 2624 C C . ASP B 1 99 ? 67.036 22.706 25.044 1.00 5.70 ? 99 ASP B C 1 -ATOM 2625 O O . ASP B 1 99 ? 67.726 21.838 25.580 1.00 5.70 ? 99 ASP B O 1 -ATOM 2626 C CB . ASP B 1 99 ? 68.338 24.563 24.077 1.00 6.06 ? 99 ASP B CB 1 -ATOM 2627 C CG . ASP B 1 99 ? 68.958 25.213 22.867 1.00 6.31 ? 99 ASP B CG 1 -ATOM 2628 O OD1 . ASP B 1 99 ? 69.539 24.486 22.038 1.00 6.71 ? 99 ASP B OD1 1 -ATOM 2629 O OD2 . ASP B 1 99 ? 68.876 26.455 22.759 1.00 6.85 ? 99 ASP B OD2 1 -ATOM 2630 N N . GLU B 1 100 ? 65.894 23.152 25.564 1.00 5.59 ? 100 GLU B N 1 -ATOM 2631 C CA . GLU B 1 100 ? 65.375 22.656 26.832 1.00 5.50 ? 100 GLU B CA 1 -ATOM 2632 C C . GLU B 1 100 ? 63.857 22.595 26.795 1.00 5.16 ? 100 GLU B C 1 -ATOM 2633 O O . GLU B 1 100 ? 63.203 23.415 26.144 1.00 5.04 ? 100 GLU B O 1 -ATOM 2634 C CB . GLU B 1 100 ? 65.820 23.579 27.977 1.00 5.86 ? 100 GLU B CB 1 -ATOM 2635 C CG . GLU B 1 100 ? 67.289 23.980 27.904 1.00 6.69 ? 100 GLU B CG 1 -ATOM 2636 C CD . GLU B 1 100 ? 67.722 24.909 29.024 1.00 6.91 ? 100 GLU B CD 1 -ATOM 2637 O OE1 . GLU B 1 100 ? 66.854 25.526 29.681 1.00 6.91 ? 100 GLU B OE1 1 -ATOM 2638 O OE2 . GLU B 1 100 ? 68.945 25.029 29.232 1.00 7.60 ? 100 GLU B OE2 1 -ATOM 2639 N N . VAL B 1 101 ? 63.307 21.605 27.489 1.00 4.81 ? 101 VAL B N 1 -ATOM 2640 C CA . VAL B 1 101 ? 61.867 21.427 27.578 1.00 4.76 ? 101 VAL B CA 1 -ATOM 2641 C C . VAL B 1 101 ? 61.477 21.415 29.051 1.00 4.72 ? 101 VAL B C 1 -ATOM 2642 O O . VAL B 1 101 ? 62.043 20.657 29.845 1.00 4.72 ? 101 VAL B O 1 -ATOM 2643 C CB . VAL B 1 101 ? 61.421 20.093 26.927 1.00 4.88 ? 101 VAL B CB 1 -ATOM 2644 C CG1 . VAL B 1 101 ? 59.931 19.862 27.165 1.00 5.17 ? 101 VAL B CG1 1 -ATOM 2645 C CG2 . VAL B 1 101 ? 61.720 20.121 25.433 1.00 4.89 ? 101 VAL B CG2 1 -ATOM 2646 N N . ASP B 1 102 ? 60.531 22.280 29.406 1.00 4.60 ? 102 ASP B N 1 -ATOM 2647 C CA . ASP B 1 102 ? 60.018 22.380 30.771 1.00 4.56 ? 102 ASP B CA 1 -ATOM 2648 C C . ASP B 1 102 ? 58.642 21.710 30.705 1.00 4.63 ? 102 ASP B C 1 -ATOM 2649 O O . ASP B 1 102 ? 57.683 22.305 30.207 1.00 4.79 ? 102 ASP B O 1 -ATOM 2650 C CB . ASP B 1 102 ? 59.852 23.856 31.175 1.00 4.90 ? 102 ASP B CB 1 -ATOM 2651 C CG . ASP B 1 102 ? 61.184 24.604 31.320 1.00 4.88 ? 102 ASP B CG 1 -ATOM 2652 O OD1 . ASP B 1 102 ? 62.209 24.201 30.721 1.00 5.40 ? 102 ASP B OD1 1 -ATOM 2653 O OD2 . ASP B 1 102 ? 61.196 25.632 32.033 1.00 5.68 ? 102 ASP B OD2 1 -ATOM 2654 N N . VAL B 1 103 ? 58.547 20.475 31.191 1.00 4.47 ? 103 VAL B N 1 -ATOM 2655 C CA . VAL B 1 103 ? 57.287 19.731 31.146 1.00 4.47 ? 103 VAL B CA 1 -ATOM 2656 C C . VAL B 1 103 ? 56.530 19.779 32.471 1.00 4.44 ? 103 VAL B C 1 -ATOM 2657 O O . VAL B 1 103 ? 57.140 19.811 33.540 1.00 4.33 ? 103 VAL B O 1 -ATOM 2658 C CB . VAL B 1 103 ? 57.540 18.246 30.767 1.00 4.53 ? 103 VAL B CB 1 -ATOM 2659 C CG1 . VAL B 1 103 ? 58.347 17.554 31.860 1.00 5.19 ? 103 VAL B CG1 1 -ATOM 2660 C CG2 . VAL B 1 103 ? 56.217 17.523 30.530 1.00 5.29 ? 103 VAL B CG2 1 -ATOM 2661 N N . VAL B 1 104 ? 55.200 19.785 32.405 1.00 4.40 ? 104 VAL B N 1 -ATOM 2662 C CA . VAL B 1 104 ? 54.415 19.815 33.631 1.00 4.47 ? 104 VAL B CA 1 -ATOM 2663 C C . VAL B 1 104 ? 54.141 18.410 34.152 1.00 4.69 ? 104 VAL B C 1 -ATOM 2664 O O . VAL B 1 104 ? 53.605 17.555 33.444 1.00 4.91 ? 104 VAL B O 1 -ATOM 2665 C CB . VAL B 1 104 ? 53.059 20.532 33.448 1.00 4.53 ? 104 VAL B CB 1 -ATOM 2666 C CG1 . VAL B 1 104 ? 52.366 20.661 34.802 1.00 4.59 ? 104 VAL B CG1 1 -ATOM 2667 C CG2 . VAL B 1 104 ? 53.268 21.910 32.833 1.00 4.54 ? 104 VAL B CG2 1 -ATOM 2668 N N . PHE B 1 105 ? 54.532 18.194 35.401 1.00 4.73 ? 105 PHE B N 1 -ATOM 2669 C CA . PHE B 1 105 ? 54.353 16.929 36.098 1.00 5.05 ? 105 PHE B CA 1 -ATOM 2670 C C . PHE B 1 105 ? 52.851 16.706 36.307 1.00 5.20 ? 105 PHE B C 1 -ATOM 2671 O O . PHE B 1 105 ? 52.101 17.663 36.487 1.00 4.88 ? 105 PHE B O 1 -ATOM 2672 C CB . PHE B 1 105 ? 55.085 17.036 37.444 1.00 5.43 ? 105 PHE B CB 1 -ATOM 2673 C CG . PHE B 1 105 ? 55.035 15.795 38.287 1.00 6.01 ? 105 PHE B CG 1 -ATOM 2674 C CD1 . PHE B 1 105 ? 53.966 15.557 39.145 1.00 6.31 ? 105 PHE B CD1 1 -ATOM 2675 C CD2 . PHE B 1 105 ? 56.083 14.880 38.248 1.00 6.29 ? 105 PHE B CD2 1 -ATOM 2676 C CE1 . PHE B 1 105 ? 53.945 14.422 39.958 1.00 6.61 ? 105 PHE B CE1 1 -ATOM 2677 C CE2 . PHE B 1 105 ? 56.074 13.747 39.053 1.00 6.68 ? 105 PHE B CE2 1 -ATOM 2678 C CZ . PHE B 1 105 ? 55.000 13.518 39.912 1.00 6.70 ? 105 PHE B CZ 1 -ATOM 2679 N N . PRO B 1 106 ? 52.386 15.446 36.252 1.00 5.17 ? 106 PRO B N 1 -ATOM 2680 C CA . PRO B 1 106 ? 50.953 15.191 36.458 1.00 5.56 ? 106 PRO B CA 1 -ATOM 2681 C C . PRO B 1 106 ? 50.656 15.276 37.954 1.00 5.95 ? 106 PRO B C 1 -ATOM 2682 O O . PRO B 1 106 ? 50.465 14.262 38.638 1.00 6.00 ? 106 PRO B O 1 -ATOM 2683 C CB . PRO B 1 106 ? 50.764 13.787 35.878 1.00 5.52 ? 106 PRO B CB 1 -ATOM 2684 C CG . PRO B 1 106 ? 52.080 13.138 36.125 1.00 5.53 ? 106 PRO B CG 1 -ATOM 2685 C CD . PRO B 1 106 ? 53.082 14.227 35.802 1.00 5.39 ? 106 PRO B CD 1 -ATOM 2686 N N . TYR B 1 107 ? 50.627 16.509 38.452 1.00 6.17 ? 107 TYR B N 1 -ATOM 2687 C CA . TYR B 1 107 ? 50.408 16.761 39.868 1.00 6.22 ? 107 TYR B CA 1 -ATOM 2688 C C . TYR B 1 107 ? 49.027 16.390 40.397 1.00 6.65 ? 107 TYR B C 1 -ATOM 2689 O O . TYR B 1 107 ? 48.908 15.983 41.554 1.00 6.60 ? 107 TYR B O 1 -ATOM 2690 C CB . TYR B 1 107 ? 50.761 18.223 40.205 1.00 6.23 ? 107 TYR B CB 1 -ATOM 2691 C CG . TYR B 1 107 ? 49.878 19.271 39.572 1.00 6.18 ? 107 TYR B CG 1 -ATOM 2692 C CD1 . TYR B 1 107 ? 48.692 19.672 40.184 1.00 6.09 ? 107 TYR B CD1 1 -ATOM 2693 C CD2 . TYR B 1 107 ? 50.238 19.878 38.370 1.00 6.08 ? 107 TYR B CD2 1 -ATOM 2694 C CE1 . TYR B 1 107 ? 47.887 20.655 39.617 1.00 6.27 ? 107 TYR B CE1 1 -ATOM 2695 C CE2 . TYR B 1 107 ? 49.442 20.861 37.794 1.00 6.22 ? 107 TYR B CE2 1 -ATOM 2696 C CZ . TYR B 1 107 ? 48.270 21.247 38.423 1.00 6.16 ? 107 TYR B CZ 1 -ATOM 2697 O OH . TYR B 1 107 ? 47.488 22.234 37.870 1.00 6.41 ? 107 TYR B OH 1 -ATOM 2698 N N . ARG B 1 108 ? 47.987 16.514 39.578 1.00 6.90 ? 108 ARG B N 1 -ATOM 2699 C CA . ARG B 1 108 ? 46.657 16.141 40.048 1.00 7.46 ? 108 ARG B CA 1 -ATOM 2700 C C . ARG B 1 108 ? 46.599 14.631 40.251 1.00 7.21 ? 108 ARG B C 1 -ATOM 2701 O O . ARG B 1 108 ? 45.945 14.146 41.170 1.00 7.12 ? 108 ARG B O 1 -ATOM 2702 C CB . ARG B 1 108 ? 45.573 16.592 39.065 1.00 8.54 ? 108 ARG B CB 1 -ATOM 2703 C CG . ARG B 1 108 ? 45.314 18.095 39.099 1.00 10.26 ? 108 ARG B CG 1 -ATOM 2704 C CD . ARG B 1 108 ? 44.067 18.456 38.307 1.00 12.01 ? 108 ARG B CD 1 -ATOM 2705 N NE . ARG B 1 108 ? 44.148 17.962 36.936 1.00 13.75 ? 108 ARG B NE 1 -ATOM 2706 C CZ . ARG B 1 108 ? 45.040 18.381 36.046 1.00 14.35 ? 108 ARG B CZ 1 -ATOM 2707 N NH1 . ARG B 1 108 ? 45.924 19.311 36.382 1.00 15.40 ? 108 ARG B NH1 1 -ATOM 2708 N NH2 . ARG B 1 108 ? 45.061 17.859 34.829 1.00 14.52 ? 108 ARG B NH2 1 -ATOM 2709 N N . ALA B 1 109 ? 47.298 13.884 39.402 1.00 6.95 ? 109 ALA B N 1 -ATOM 2710 C CA . ALA B 1 109 ? 47.321 12.433 39.540 1.00 6.87 ? 109 ALA B CA 1 -ATOM 2711 C C . ALA B 1 109 ? 48.004 12.066 40.858 1.00 6.93 ? 109 ALA B C 1 -ATOM 2712 O O . ALA B 1 109 ? 47.559 11.162 41.564 1.00 6.86 ? 109 ALA B O 1 -ATOM 2713 C CB . ALA B 1 109 ? 48.060 11.805 38.366 1.00 6.83 ? 109 ALA B CB 1 -ATOM 2714 N N . LEU B 1 110 ? 49.083 12.774 41.191 1.00 6.96 ? 110 LEU B N 1 -ATOM 2715 C CA . LEU B 1 110 ? 49.806 12.524 42.435 1.00 7.22 ? 110 LEU B CA 1 -ATOM 2716 C C . LEU B 1 110 ? 48.914 12.839 43.632 1.00 7.58 ? 110 LEU B C 1 -ATOM 2717 O O . LEU B 1 110 ? 48.926 12.125 44.634 1.00 7.64 ? 110 LEU B O 1 -ATOM 2718 C CB . LEU B 1 110 ? 51.072 13.383 42.504 1.00 7.18 ? 110 LEU B CB 1 -ATOM 2719 C CG . LEU B 1 110 ? 51.850 13.281 43.819 1.00 7.32 ? 110 LEU B CG 1 -ATOM 2720 C CD1 . LEU B 1 110 ? 52.351 11.859 44.008 1.00 7.77 ? 110 LEU B CD1 1 -ATOM 2721 C CD2 . LEU B 1 110 ? 53.009 14.256 43.811 1.00 7.43 ? 110 LEU B CD2 1 -ATOM 2722 N N . MET B 1 111 ? 48.152 13.921 43.528 1.00 7.97 ? 111 MET B N 1 -ATOM 2723 C CA . MET B 1 111 ? 47.245 14.314 44.598 1.00 8.64 ? 111 MET B CA 1 -ATOM 2724 C C . MET B 1 111 ? 46.175 13.240 44.762 1.00 8.72 ? 111 MET B C 1 -ATOM 2725 O O . MET B 1 111 ? 45.606 13.074 45.845 1.00 8.93 ? 111 MET B O 1 -ATOM 2726 C CB . MET B 1 111 ? 46.618 15.672 44.271 1.00 8.86 ? 111 MET B CB 1 -ATOM 2727 C CG . MET B 1 111 ? 47.631 16.814 44.315 1.00 9.80 ? 111 MET B CG 1 -ATOM 2728 S SD . MET B 1 111 ? 47.081 18.371 43.588 1.00 10.61 ? 111 MET B SD 1 -ATOM 2729 C CE . MET B 1 111 ? 46.207 19.087 44.964 1.00 11.01 ? 111 MET B CE 1 -ATOM 2730 N N . ALA B 1 112 ? 45.923 12.497 43.686 1.00 8.91 ? 112 ALA B N 1 -ATOM 2731 C CA . ALA B 1 112 ? 44.937 11.422 43.698 1.00 9.09 ? 112 ALA B CA 1 -ATOM 2732 C C . ALA B 1 112 ? 45.584 10.099 44.114 1.00 9.15 ? 112 ALA B C 1 -ATOM 2733 O O . ALA B 1 112 ? 44.971 9.035 44.009 1.00 9.89 ? 112 ALA B O 1 -ATOM 2734 C CB . ALA B 1 112 ? 44.288 11.289 42.319 1.00 9.06 ? 112 ALA B CB 1 -ATOM 2735 N N . GLY B 1 113 ? 46.829 10.170 44.574 1.00 9.01 ? 113 GLY B N 1 -ATOM 2736 C CA . GLY B 1 113 ? 47.518 8.977 45.035 1.00 8.68 ? 113 GLY B CA 1 -ATOM 2737 C C . GLY B 1 113 ? 48.262 8.156 44.002 1.00 8.51 ? 113 GLY B C 1 -ATOM 2738 O O . GLY B 1 113 ? 48.716 7.057 44.308 1.00 8.79 ? 113 GLY B O 1 -ATOM 2739 N N . ASN B 1 114 ? 48.399 8.678 42.787 1.00 8.19 ? 114 ASN B N 1 -ATOM 2740 C CA . ASN B 1 114 ? 49.105 7.956 41.729 1.00 7.91 ? 114 ASN B CA 1 -ATOM 2741 C C . ASN B 1 114 ? 50.505 8.534 41.533 1.00 8.00 ? 114 ASN B C 1 -ATOM 2742 O O . ASN B 1 114 ? 50.667 9.600 40.938 1.00 8.05 ? 114 ASN B O 1 -ATOM 2743 C CB . ASN B 1 114 ? 48.325 8.056 40.417 1.00 7.68 ? 114 ASN B CB 1 -ATOM 2744 C CG . ASN B 1 114 ? 48.912 7.191 39.317 1.00 7.43 ? 114 ASN B CG 1 -ATOM 2745 O OD1 . ASN B 1 114 ? 50.060 6.759 39.392 1.00 7.51 ? 114 ASN B OD1 1 -ATOM 2746 N ND2 . ASN B 1 114 ? 48.128 6.954 38.277 1.00 7.65 ? 114 ASN B ND2 1 -ATOM 2747 N N . GLU B 1 115 ? 51.516 7.832 42.032 1.00 8.14 ? 115 GLU B N 1 -ATOM 2748 C CA . GLU B 1 115 ? 52.893 8.295 41.896 1.00 8.45 ? 115 GLU B CA 1 -ATOM 2749 C C . GLU B 1 115 ? 53.564 7.725 40.652 1.00 8.25 ? 115 GLU B C 1 -ATOM 2750 O O . GLU B 1 115 ? 54.501 8.316 40.115 1.00 8.21 ? 115 GLU B O 1 -ATOM 2751 C CB . GLU B 1 115 ? 53.721 7.899 43.122 1.00 9.36 ? 115 GLU B CB 1 -ATOM 2752 C CG . GLU B 1 115 ? 53.122 8.311 44.455 1.00 10.68 ? 115 GLU B CG 1 -ATOM 2753 C CD . GLU B 1 115 ? 54.061 8.044 45.617 1.00 11.58 ? 115 GLU B CD 1 -ATOM 2754 O OE1 . GLU B 1 115 ? 54.965 7.194 45.472 1.00 12.42 ? 115 GLU B OE1 1 -ATOM 2755 O OE2 . GLU B 1 115 ? 53.885 8.677 46.678 1.00 12.57 ? 115 GLU B OE2 1 -ATOM 2756 N N . GLN B 1 116 ? 53.074 6.581 40.187 1.00 7.81 ? 116 GLN B N 1 -ATOM 2757 C CA . GLN B 1 116 ? 53.662 5.923 39.028 1.00 7.77 ? 116 GLN B CA 1 -ATOM 2758 C C . GLN B 1 116 ? 53.531 6.674 37.713 1.00 7.28 ? 116 GLN B C 1 -ATOM 2759 O O . GLN B 1 116 ? 54.484 6.730 36.941 1.00 7.35 ? 116 GLN B O 1 -ATOM 2760 C CB . GLN B 1 116 ? 53.070 4.523 38.854 1.00 8.03 ? 116 GLN B CB 1 -ATOM 2761 C CG . GLN B 1 116 ? 53.883 3.644 37.919 1.00 9.23 ? 116 GLN B CG 1 -ATOM 2762 C CD . GLN B 1 116 ? 55.291 3.419 38.434 1.00 9.81 ? 116 GLN B CD 1 -ATOM 2763 O OE1 . GLN B 1 116 ? 55.479 2.966 39.562 1.00 10.64 ? 116 GLN B OE1 1 -ATOM 2764 N NE2 . GLN B 1 116 ? 56.288 3.735 37.613 1.00 10.31 ? 116 GLN B NE2 1 -ATOM 2765 N N . VAL B 1 117 ? 52.365 7.248 37.444 1.00 7.05 ? 117 VAL B N 1 -ATOM 2766 C CA . VAL B 1 117 ? 52.191 7.954 36.185 1.00 6.82 ? 117 VAL B CA 1 -ATOM 2767 C C . VAL B 1 117 ? 53.167 9.127 36.070 1.00 6.69 ? 117 VAL B C 1 -ATOM 2768 O O . VAL B 1 117 ? 53.704 9.383 34.994 1.00 6.54 ? 117 VAL B O 1 -ATOM 2769 C CB . VAL B 1 117 ? 50.720 8.428 35.995 1.00 6.79 ? 117 VAL B CB 1 -ATOM 2770 C CG1 . VAL B 1 117 ? 50.360 9.498 37.016 1.00 6.96 ? 117 VAL B CG1 1 -ATOM 2771 C CG2 . VAL B 1 117 ? 50.519 8.933 34.571 1.00 7.12 ? 117 VAL B CG2 1 -ATOM 2772 N N . GLY B 1 118 ? 53.417 9.821 37.179 1.00 6.55 ? 118 GLY B N 1 -ATOM 2773 C CA . GLY B 1 118 ? 54.349 10.938 37.152 1.00 6.32 ? 118 GLY B CA 1 -ATOM 2774 C C . GLY B 1 118 ? 55.764 10.475 36.855 1.00 6.22 ? 118 GLY B C 1 -ATOM 2775 O O . GLY B 1 118 ? 56.496 11.119 36.101 1.00 6.09 ? 118 GLY B O 1 -ATOM 2776 N N . PHE B 1 119 ? 56.160 9.355 37.451 1.00 6.22 ? 119 PHE B N 1 -ATOM 2777 C CA . PHE B 1 119 ? 57.490 8.816 37.216 1.00 6.12 ? 119 PHE B CA 1 -ATOM 2778 C C . PHE B 1 119 ? 57.618 8.441 35.741 1.00 6.07 ? 119 PHE B C 1 -ATOM 2779 O O . PHE B 1 119 ? 58.575 8.829 35.074 1.00 5.68 ? 119 PHE B O 1 -ATOM 2780 C CB . PHE B 1 119 ? 57.731 7.586 38.102 1.00 6.31 ? 119 PHE B CB 1 -ATOM 2781 C CG . PHE B 1 119 ? 59.065 6.924 37.878 1.00 6.47 ? 119 PHE B CG 1 -ATOM 2782 C CD1 . PHE B 1 119 ? 59.242 6.012 36.838 1.00 6.74 ? 119 PHE B CD1 1 -ATOM 2783 C CD2 . PHE B 1 119 ? 60.153 7.228 38.690 1.00 6.78 ? 119 PHE B CD2 1 -ATOM 2784 C CE1 . PHE B 1 119 ? 60.482 5.414 36.612 1.00 6.97 ? 119 PHE B CE1 1 -ATOM 2785 C CE2 . PHE B 1 119 ? 61.398 6.635 38.471 1.00 6.95 ? 119 PHE B CE2 1 -ATOM 2786 C CZ . PHE B 1 119 ? 61.561 5.727 37.429 1.00 7.02 ? 119 PHE B CZ 1 -ATOM 2787 N N . ASP B 1 120 ? 56.643 7.699 35.228 1.00 6.07 ? 120 ASP B N 1 -ATOM 2788 C CA . ASP B 1 120 ? 56.681 7.278 33.832 1.00 6.46 ? 120 ASP B CA 1 -ATOM 2789 C C . ASP B 1 120 ? 56.624 8.436 32.842 1.00 6.17 ? 120 ASP B C 1 -ATOM 2790 O O . ASP B 1 120 ? 57.282 8.395 31.804 1.00 6.09 ? 120 ASP B O 1 -ATOM 2791 C CB . ASP B 1 120 ? 55.540 6.300 33.535 1.00 7.21 ? 120 ASP B CB 1 -ATOM 2792 C CG . ASP B 1 120 ? 55.743 4.942 34.186 1.00 8.02 ? 120 ASP B CG 1 -ATOM 2793 O OD1 . ASP B 1 120 ? 56.781 4.733 34.845 1.00 9.08 ? 120 ASP B OD1 1 -ATOM 2794 O OD2 . ASP B 1 120 ? 54.854 4.078 34.028 1.00 9.34 ? 120 ASP B OD2 1 -ATOM 2795 N N . LEU B 1 121 ? 55.839 9.464 33.153 1.00 6.05 ? 121 LEU B N 1 -ATOM 2796 C CA . LEU B 1 121 ? 55.725 10.602 32.245 1.00 6.03 ? 121 LEU B CA 1 -ATOM 2797 C C . LEU B 1 121 ? 57.047 11.354 32.151 1.00 5.95 ? 121 LEU B C 1 -ATOM 2798 O O . LEU B 1 121 ? 57.512 11.669 31.059 1.00 5.96 ? 121 LEU B O 1 -ATOM 2799 C CB . LEU B 1 121 ? 54.602 11.539 32.703 1.00 6.12 ? 121 LEU B CB 1 -ATOM 2800 C CG . LEU B 1 121 ? 54.149 12.612 31.704 1.00 6.08 ? 121 LEU B CG 1 -ATOM 2801 C CD1 . LEU B 1 121 ? 52.688 12.971 31.961 1.00 6.48 ? 121 LEU B CD1 1 -ATOM 2802 C CD2 . LEU B 1 121 ? 55.035 13.839 31.811 1.00 6.24 ? 121 LEU B CD2 1 -ATOM 2803 N N . VAL B 1 122 ? 57.657 11.635 33.297 1.00 5.88 ? 122 VAL B N 1 -ATOM 2804 C CA . VAL B 1 122 ? 58.932 12.336 33.305 1.00 6.12 ? 122 VAL B CA 1 -ATOM 2805 C C . VAL B 1 122 ? 60.010 11.488 32.631 1.00 6.35 ? 122 VAL B C 1 -ATOM 2806 O O . VAL B 1 122 ? 60.781 11.988 31.812 1.00 6.72 ? 122 VAL B O 1 -ATOM 2807 C CB . VAL B 1 122 ? 59.380 12.672 34.750 1.00 5.75 ? 122 VAL B CB 1 -ATOM 2808 C CG1 . VAL B 1 122 ? 60.816 13.183 34.749 1.00 5.77 ? 122 VAL B CG1 1 -ATOM 2809 C CG2 . VAL B 1 122 ? 58.456 13.725 35.345 1.00 6.08 ? 122 VAL B CG2 1 -ATOM 2810 N N . LYS B 1 123 ? 60.055 10.202 32.962 1.00 6.65 ? 123 LYS B N 1 -ATOM 2811 C CA . LYS B 1 123 ? 61.054 9.316 32.384 1.00 7.07 ? 123 LYS B CA 1 -ATOM 2812 C C . LYS B 1 123 ? 60.971 9.266 30.860 1.00 6.91 ? 123 LYS B C 1 -ATOM 2813 O O . LYS B 1 123 ? 61.993 9.329 30.177 1.00 6.96 ? 123 LYS B O 1 -ATOM 2814 C CB . LYS B 1 123 ? 60.905 7.907 32.965 1.00 7.76 ? 123 LYS B CB 1 -ATOM 2815 C CG . LYS B 1 123 ? 61.962 6.922 32.482 1.00 9.00 ? 123 LYS B CG 1 -ATOM 2816 C CD . LYS B 1 123 ? 61.819 5.583 33.187 1.00 10.41 ? 123 LYS B CD 1 -ATOM 2817 C CE . LYS B 1 123 ? 62.845 4.578 32.692 1.00 11.53 ? 123 LYS B CE 1 -ATOM 2818 N NZ . LYS B 1 123 ? 62.672 3.270 33.382 1.00 12.91 ? 123 LYS B NZ 1 -ATOM 2819 N N . ALA B 1 124 ? 59.757 9.156 30.331 1.00 6.49 ? 124 ALA B N 1 -ATOM 2820 C CA . ALA B 1 124 ? 59.564 9.094 28.886 1.00 6.51 ? 124 ALA B CA 1 -ATOM 2821 C C . ALA B 1 124 ? 60.065 10.370 28.220 1.00 6.47 ? 124 ALA B C 1 -ATOM 2822 O O . ALA B 1 124 ? 60.753 10.322 27.200 1.00 6.61 ? 124 ALA B O 1 -ATOM 2823 C CB . ALA B 1 124 ? 58.090 8.877 28.565 1.00 6.70 ? 124 ALA B CB 1 -ATOM 2824 N N . CYS B 1 125 ? 59.720 11.515 28.800 1.00 6.43 ? 125 CYS B N 1 -ATOM 2825 C CA . CYS B 1 125 ? 60.145 12.786 28.236 1.00 6.65 ? 125 CYS B CA 1 -ATOM 2826 C C . CYS B 1 125 ? 61.651 12.976 28.368 1.00 6.66 ? 125 CYS B C 1 -ATOM 2827 O O . CYS B 1 125 ? 62.290 13.517 27.466 1.00 6.78 ? 125 CYS B O 1 -ATOM 2828 C CB . CYS B 1 125 ? 59.387 13.940 28.899 1.00 6.69 ? 125 CYS B CB 1 -ATOM 2829 S SG . CYS B 1 125 ? 57.607 13.964 28.505 1.00 7.25 ? 125 CYS B SG 1 -ATOM 2830 N N . LYS B 1 126 ? 62.222 12.528 29.484 1.00 6.81 ? 126 LYS B N 1 -ATOM 2831 C CA . LYS B 1 126 ? 63.664 12.646 29.687 1.00 7.11 ? 126 LYS B CA 1 -ATOM 2832 C C . LYS B 1 126 ? 64.409 11.800 28.660 1.00 7.48 ? 126 LYS B C 1 -ATOM 2833 O O . LYS B 1 126 ? 65.418 12.230 28.116 1.00 7.49 ? 126 LYS B O 1 -ATOM 2834 C CB . LYS B 1 126 ? 64.057 12.202 31.103 1.00 6.96 ? 126 LYS B CB 1 -ATOM 2835 C CG . LYS B 1 126 ? 65.568 12.068 31.331 1.00 7.16 ? 126 LYS B CG 1 -ATOM 2836 C CD . LYS B 1 126 ? 66.307 13.389 31.132 1.00 7.37 ? 126 LYS B CD 1 -ATOM 2837 C CE . LYS B 1 126 ? 67.814 13.240 31.340 1.00 7.66 ? 126 LYS B CE 1 -ATOM 2838 N NZ . LYS B 1 126 ? 68.187 12.915 32.748 1.00 8.38 ? 126 LYS B NZ 1 -ATOM 2839 N N . GLU B 1 127 ? 63.910 10.597 28.397 1.00 7.87 ? 127 GLU B N 1 -ATOM 2840 C CA . GLU B 1 127 ? 64.552 9.715 27.427 1.00 8.45 ? 127 GLU B CA 1 -ATOM 2841 C C . GLU B 1 127 ? 64.610 10.379 26.054 1.00 8.04 ? 127 GLU B C 1 -ATOM 2842 O O . GLU B 1 127 ? 65.644 10.351 25.380 1.00 8.17 ? 127 GLU B O 1 -ATOM 2843 C CB . GLU B 1 127 ? 63.801 8.382 27.346 1.00 9.67 ? 127 GLU B CB 1 -ATOM 2844 C CG . GLU B 1 127 ? 64.079 7.443 28.518 1.00 11.98 ? 127 GLU B CG 1 -ATOM 2845 C CD . GLU B 1 127 ? 63.364 6.111 28.380 1.00 13.26 ? 127 GLU B CD 1 -ATOM 2846 O OE1 . GLU B 1 127 ? 63.395 5.531 27.272 1.00 14.57 ? 127 GLU B OE1 1 -ATOM 2847 O OE2 . GLU B 1 127 ? 62.784 5.636 29.380 1.00 14.90 ? 127 GLU B OE2 1 -ATOM 2848 N N . ALA B 1 128 ? 63.502 10.991 25.652 1.00 7.55 ? 128 ALA B N 1 -ATOM 2849 C CA . ALA B 1 128 ? 63.427 11.674 24.368 1.00 7.23 ? 128 ALA B CA 1 -ATOM 2850 C C . ALA B 1 128 ? 64.389 12.866 24.327 1.00 7.13 ? 128 ALA B C 1 -ATOM 2851 O O . ALA B 1 128 ? 65.139 13.042 23.363 1.00 6.99 ? 128 ALA B O 1 -ATOM 2852 C CB . ALA B 1 128 ? 61.999 12.143 24.124 1.00 7.26 ? 128 ALA B CB 1 -ATOM 2853 N N . CYS B 1 129 ? 64.370 13.683 25.373 1.00 6.99 ? 129 CYS B N 1 -ATOM 2854 C CA . CYS B 1 129 ? 65.236 14.852 25.431 1.00 7.02 ? 129 CYS B CA 1 -ATOM 2855 C C . CYS B 1 129 ? 66.717 14.488 25.475 1.00 7.24 ? 129 CYS B C 1 -ATOM 2856 O O . CYS B 1 129 ? 67.525 15.065 24.746 1.00 7.19 ? 129 CYS B O 1 -ATOM 2857 C CB . CYS B 1 129 ? 64.879 15.713 26.645 1.00 6.60 ? 129 CYS B CB 1 -ATOM 2858 S SG . CYS B 1 129 ? 63.292 16.569 26.506 1.00 6.40 ? 129 CYS B SG 1 -ATOM 2859 N N . ALA B 1 130 ? 67.073 13.538 26.334 1.00 7.62 ? 130 ALA B N 1 -ATOM 2860 C CA . ALA B 1 130 ? 68.465 13.119 26.459 1.00 8.04 ? 130 ALA B CA 1 -ATOM 2861 C C . ALA B 1 130 ? 69.022 12.643 25.121 1.00 8.23 ? 130 ALA B C 1 -ATOM 2862 O O . ALA B 1 130 ? 70.153 12.970 24.764 1.00 8.38 ? 130 ALA B O 1 -ATOM 2863 C CB . ALA B 1 130 ? 68.588 12.019 27.497 1.00 8.29 ? 130 ALA B CB 1 -ATOM 2864 N N . ALA B 1 131 ? 68.226 11.878 24.381 1.00 8.40 ? 131 ALA B N 1 -ATOM 2865 C CA . ALA B 1 131 ? 68.659 11.363 23.084 1.00 8.66 ? 131 ALA B CA 1 -ATOM 2866 C C . ALA B 1 131 ? 68.916 12.487 22.083 1.00 8.90 ? 131 ALA B C 1 -ATOM 2867 O O . ALA B 1 131 ? 69.661 12.306 21.116 1.00 9.09 ? 131 ALA B O 1 -ATOM 2868 C CB . ALA B 1 131 ? 67.616 10.401 22.529 1.00 8.86 ? 131 ALA B CB 1 -ATOM 2869 N N . ALA B 1 132 ? 68.307 13.645 22.318 1.00 8.78 ? 132 ALA B N 1 -ATOM 2870 C CA . ALA B 1 132 ? 68.470 14.792 21.430 1.00 8.79 ? 132 ALA B CA 1 -ATOM 2871 C C . ALA B 1 132 ? 69.355 15.880 22.032 1.00 8.89 ? 132 ALA B C 1 -ATOM 2872 O O . ALA B 1 132 ? 69.431 16.989 21.501 1.00 8.67 ? 132 ALA B O 1 -ATOM 2873 C CB . ALA B 1 132 ? 67.099 15.375 21.073 1.00 8.64 ? 132 ALA B CB 1 -ATOM 2874 N N . ASN B 1 133 ? 70.021 15.559 23.137 1.00 9.02 ? 133 ASN B N 1 -ATOM 2875 C CA . ASN B 1 133 ? 70.896 16.509 23.822 1.00 9.47 ? 133 ASN B CA 1 -ATOM 2876 C C . ASN B 1 133 ? 70.119 17.747 24.248 1.00 9.05 ? 133 ASN B C 1 -ATOM 2877 O O . ASN B 1 133 ? 70.590 18.878 24.118 1.00 9.31 ? 133 ASN B O 1 -ATOM 2878 C CB . ASN B 1 133 ? 72.064 16.902 22.917 1.00 10.75 ? 133 ASN B CB 1 -ATOM 2879 C CG . ASN B 1 133 ? 72.915 15.713 22.524 1.00 12.01 ? 133 ASN B CG 1 -ATOM 2880 O OD1 . ASN B 1 133 ? 73.472 15.027 23.380 1.00 13.33 ? 133 ASN B OD1 1 -ATOM 2881 N ND2 . ASN B 1 133 ? 73.016 15.460 21.225 1.00 13.03 ? 133 ASN B ND2 1 -ATOM 2882 N N . VAL B 1 134 ? 68.918 17.504 24.758 1.00 8.08 ? 134 VAL B N 1 -ATOM 2883 C CA . VAL B 1 134 ? 68.018 18.547 25.231 1.00 7.65 ? 134 VAL B CA 1 -ATOM 2884 C C . VAL B 1 134 ? 67.810 18.328 26.726 1.00 7.32 ? 134 VAL B C 1 -ATOM 2885 O O . VAL B 1 134 ? 67.595 17.200 27.160 1.00 7.21 ? 134 VAL B O 1 -ATOM 2886 C CB . VAL B 1 134 ? 66.649 18.449 24.504 1.00 7.43 ? 134 VAL B CB 1 -ATOM 2887 C CG1 . VAL B 1 134 ? 65.617 19.354 25.172 1.00 7.20 ? 134 VAL B CG1 1 -ATOM 2888 C CG2 . VAL B 1 134 ? 66.816 18.829 23.039 1.00 7.66 ? 134 VAL B CG2 1 -ATOM 2889 N N . LEU B 1 135 ? 67.890 19.399 27.510 1.00 6.97 ? 135 LEU B N 1 -ATOM 2890 C CA . LEU B 1 135 ? 67.685 19.290 28.954 1.00 6.95 ? 135 LEU B CA 1 -ATOM 2891 C C . LEU B 1 135 ? 66.196 19.299 29.287 1.00 6.58 ? 135 LEU B C 1 -ATOM 2892 O O . LEU B 1 135 ? 65.401 19.956 28.611 1.00 6.72 ? 135 LEU B O 1 -ATOM 2893 C CB . LEU B 1 135 ? 68.377 20.443 29.692 1.00 7.87 ? 135 LEU B CB 1 -ATOM 2894 C CG . LEU B 1 135 ? 69.907 20.457 29.717 1.00 8.67 ? 135 LEU B CG 1 -ATOM 2895 C CD1 . LEU B 1 135 ? 70.386 21.651 30.524 1.00 9.16 ? 135 LEU B CD1 1 -ATOM 2896 C CD2 . LEU B 1 135 ? 70.429 19.165 30.328 1.00 9.30 ? 135 LEU B CD2 1 -ATOM 2897 N N . LEU B 1 136 ? 65.827 18.575 30.340 1.00 6.06 ? 136 LEU B N 1 -ATOM 2898 C CA . LEU B 1 136 ? 64.435 18.502 30.762 1.00 5.69 ? 136 LEU B CA 1 -ATOM 2899 C C . LEU B 1 136 ? 64.204 19.091 32.148 1.00 5.40 ? 136 LEU B C 1 -ATOM 2900 O O . LEU B 1 136 ? 64.817 18.655 33.127 1.00 5.65 ? 136 LEU B O 1 -ATOM 2901 C CB . LEU B 1 136 ? 63.950 17.049 30.778 1.00 5.76 ? 136 LEU B CB 1 -ATOM 2902 C CG . LEU B 1 136 ? 62.481 16.887 31.188 1.00 5.52 ? 136 LEU B CG 1 -ATOM 2903 C CD1 . LEU B 1 136 ? 61.590 17.269 30.013 1.00 5.61 ? 136 LEU B CD1 1 -ATOM 2904 C CD2 . LEU B 1 136 ? 62.204 15.452 31.619 1.00 5.50 ? 136 LEU B CD2 1 -ATOM 2905 N N . LYS B 1 137 ? 63.333 20.091 32.232 1.00 4.98 ? 137 LYS B N 1 -ATOM 2906 C CA . LYS B 1 137 ? 62.983 20.679 33.522 1.00 4.87 ? 137 LYS B CA 1 -ATOM 2907 C C . LYS B 1 137 ? 61.583 20.147 33.804 1.00 4.76 ? 137 LYS B C 1 -ATOM 2908 O O . LYS B 1 137 ? 60.811 19.923 32.874 1.00 4.92 ? 137 LYS B O 1 -ATOM 2909 C CB . LYS B 1 137 ? 62.932 22.213 33.467 1.00 5.03 ? 137 LYS B CB 1 -ATOM 2910 C CG . LYS B 1 137 ? 64.179 22.901 32.917 1.00 4.99 ? 137 LYS B CG 1 -ATOM 2911 C CD . LYS B 1 137 ? 64.234 24.356 33.376 1.00 5.90 ? 137 LYS B CD 1 -ATOM 2912 C CE . LYS B 1 137 ? 65.218 25.178 32.557 1.00 6.10 ? 137 LYS B CE 1 -ATOM 2913 N NZ . LYS B 1 137 ? 64.642 25.590 31.238 1.00 6.46 ? 137 LYS B NZ 1 -ATOM 2914 N N . VAL B 1 138 ? 61.260 19.928 35.073 1.00 4.52 ? 138 VAL B N 1 -ATOM 2915 C CA . VAL B 1 138 ? 59.940 19.431 35.435 1.00 4.55 ? 138 VAL B CA 1 -ATOM 2916 C C . VAL B 1 138 ? 59.239 20.400 36.378 1.00 4.36 ? 138 VAL B C 1 -ATOM 2917 O O . VAL B 1 138 ? 59.747 20.716 37.457 1.00 4.38 ? 138 VAL B O 1 -ATOM 2918 C CB . VAL B 1 138 ? 60.022 18.039 36.101 1.00 4.53 ? 138 VAL B CB 1 -ATOM 2919 C CG1 . VAL B 1 138 ? 58.617 17.540 36.434 1.00 4.77 ? 138 VAL B CG1 1 -ATOM 2920 C CG2 . VAL B 1 138 ? 60.728 17.059 35.169 1.00 4.81 ? 138 VAL B CG2 1 -ATOM 2921 N N . ILE B 1 139 ? 58.071 20.870 35.944 1.00 4.47 ? 139 ILE B N 1 -ATOM 2922 C CA . ILE B 1 139 ? 57.239 21.806 36.696 1.00 4.58 ? 139 ILE B CA 1 -ATOM 2923 C C . ILE B 1 139 ? 56.316 20.988 37.596 1.00 4.76 ? 139 ILE B C 1 -ATOM 2924 O O . ILE B 1 139 ? 55.496 20.221 37.100 1.00 5.09 ? 139 ILE B O 1 -ATOM 2925 C CB . ILE B 1 139 ? 56.363 22.646 35.733 1.00 4.49 ? 139 ILE B CB 1 -ATOM 2926 C CG1 . ILE B 1 139 ? 57.248 23.390 34.728 1.00 4.73 ? 139 ILE B CG1 1 -ATOM 2927 C CG2 . ILE B 1 139 ? 55.500 23.627 36.528 1.00 5.11 ? 139 ILE B CG2 1 -ATOM 2928 C CD1 . ILE B 1 139 ? 56.480 23.925 33.542 1.00 5.16 ? 139 ILE B CD1 1 -ATOM 2929 N N . ILE B 1 140 ? 56.425 21.143 38.911 1.00 4.88 ? 140 ILE B N 1 -ATOM 2930 C CA . ILE B 1 140 ? 55.557 20.359 39.786 1.00 5.17 ? 140 ILE B CA 1 -ATOM 2931 C C . ILE B 1 140 ? 54.297 21.088 40.256 1.00 5.12 ? 140 ILE B C 1 -ATOM 2932 O O . ILE B 1 140 ? 53.380 20.460 40.785 1.00 5.35 ? 140 ILE B O 1 -ATOM 2933 C CB . ILE B 1 140 ? 56.329 19.813 41.017 1.00 5.31 ? 140 ILE B CB 1 -ATOM 2934 C CG1 . ILE B 1 140 ? 56.839 20.962 41.887 1.00 5.42 ? 140 ILE B CG1 1 -ATOM 2935 C CG2 . ILE B 1 140 ? 57.488 18.940 40.550 1.00 5.66 ? 140 ILE B CG2 1 -ATOM 2936 C CD1 . ILE B 1 140 ? 57.430 20.494 43.212 1.00 6.00 ? 140 ILE B CD1 1 -ATOM 2937 N N . GLU B 1 141 ? 54.249 22.402 40.035 1.00 5.07 ? 141 GLU B N 1 -ATOM 2938 C CA . GLU B 1 141 ? 53.116 23.250 40.423 1.00 5.27 ? 141 GLU B CA 1 -ATOM 2939 C C . GLU B 1 141 ? 52.877 23.260 41.933 1.00 5.49 ? 141 GLU B C 1 -ATOM 2940 O O . GLU B 1 141 ? 51.843 22.804 42.435 1.00 5.49 ? 141 GLU B O 1 -ATOM 2941 C CB . GLU B 1 141 ? 51.837 22.820 39.697 1.00 5.25 ? 141 GLU B CB 1 -ATOM 2942 C CG . GLU B 1 141 ? 50.797 23.934 39.585 1.00 5.20 ? 141 GLU B CG 1 -ATOM 2943 C CD . GLU B 1 141 ? 51.207 25.021 38.600 1.00 5.10 ? 141 GLU B CD 1 -ATOM 2944 O OE1 . GLU B 1 141 ? 52.201 25.737 38.852 1.00 4.77 ? 141 GLU B OE1 1 -ATOM 2945 O OE2 . GLU B 1 141 ? 50.535 25.155 37.555 1.00 5.27 ? 141 GLU B OE2 1 -ATOM 2946 N N . THR B 1 142 ? 53.851 23.808 42.647 1.00 5.56 ? 142 THR B N 1 -ATOM 2947 C CA . THR B 1 142 ? 53.805 23.905 44.098 1.00 5.90 ? 142 THR B CA 1 -ATOM 2948 C C . THR B 1 142 ? 52.540 24.576 44.628 1.00 6.13 ? 142 THR B C 1 -ATOM 2949 O O . THR B 1 142 ? 52.040 24.208 45.690 1.00 5.91 ? 142 THR B O 1 -ATOM 2950 C CB . THR B 1 142 ? 55.039 24.663 44.611 1.00 5.99 ? 142 THR B CB 1 -ATOM 2951 O OG1 . THR B 1 142 ? 55.140 25.922 43.933 1.00 6.21 ? 142 THR B OG1 1 -ATOM 2952 C CG2 . THR B 1 142 ? 56.302 23.852 44.341 1.00 5.92 ? 142 THR B CG2 1 -ATOM 2953 N N . GLY B 1 143 ? 52.033 25.559 43.889 1.00 6.14 ? 143 GLY B N 1 -ATOM 2954 C CA . GLY B 1 143 ? 50.835 26.268 44.303 1.00 6.58 ? 143 GLY B CA 1 -ATOM 2955 C C . GLY B 1 143 ? 49.616 25.373 44.422 1.00 6.99 ? 143 GLY B C 1 -ATOM 2956 O O . GLY B 1 143 ? 48.775 25.577 45.295 1.00 7.58 ? 143 GLY B O 1 -ATOM 2957 N N . GLU B 1 144 ? 49.510 24.380 43.546 1.00 7.11 ? 144 GLU B N 1 -ATOM 2958 C CA . GLU B 1 144 ? 48.375 23.462 43.590 1.00 7.52 ? 144 GLU B CA 1 -ATOM 2959 C C . GLU B 1 144 ? 48.634 22.299 44.548 1.00 7.67 ? 144 GLU B C 1 -ATOM 2960 O O . GLU B 1 144 ? 47.719 21.835 45.226 1.00 7.43 ? 144 GLU B O 1 -ATOM 2961 C CB . GLU B 1 144 ? 48.055 22.948 42.183 1.00 7.93 ? 144 GLU B CB 1 -ATOM 2962 C CG . GLU B 1 144 ? 47.492 24.022 41.256 1.00 8.45 ? 144 GLU B CG 1 -ATOM 2963 C CD . GLU B 1 144 ? 46.207 24.631 41.786 1.00 9.22 ? 144 GLU B CD 1 -ATOM 2964 O OE1 . GLU B 1 144 ? 45.214 23.887 41.932 1.00 10.19 ? 144 GLU B OE1 1 -ATOM 2965 O OE2 . GLU B 1 144 ? 46.185 25.852 42.058 1.00 9.28 ? 144 GLU B OE2 1 -ATOM 2966 N N . LEU B 1 145 ? 49.877 21.830 44.609 1.00 7.87 ? 145 LEU B N 1 -ATOM 2967 C CA . LEU B 1 145 ? 50.220 20.739 45.520 1.00 8.32 ? 145 LEU B CA 1 -ATOM 2968 C C . LEU B 1 145 ? 49.987 21.217 46.953 1.00 8.86 ? 145 LEU B C 1 -ATOM 2969 O O . LEU B 1 145 ? 49.435 20.486 47.779 1.00 8.90 ? 145 LEU B O 1 -ATOM 2970 C CB . LEU B 1 145 ? 51.681 20.316 45.327 1.00 8.05 ? 145 LEU B CB 1 -ATOM 2971 C CG . LEU B 1 145 ? 51.987 19.565 44.026 1.00 7.73 ? 145 LEU B CG 1 -ATOM 2972 C CD1 . LEU B 1 145 ? 53.482 19.304 43.921 1.00 8.01 ? 145 LEU B CD1 1 -ATOM 2973 C CD2 . LEU B 1 145 ? 51.212 18.256 44.005 1.00 7.83 ? 145 LEU B CD2 1 -ATOM 2974 N N . LYS B 1 146 ? 50.425 22.448 47.223 1.00 9.58 ? 146 LYS B N 1 -ATOM 2975 C CA . LYS B 1 146 ? 50.257 23.115 48.514 1.00 10.50 ? 146 LYS B CA 1 -ATOM 2976 C C . LYS B 1 146 ? 50.991 22.535 49.723 1.00 10.65 ? 146 LYS B C 1 -ATOM 2977 O O . LYS B 1 146 ? 51.777 23.232 50.367 1.00 10.78 ? 146 LYS B O 1 -ATOM 2978 C CB . LYS B 1 146 ? 48.765 23.222 48.844 1.00 11.19 ? 146 LYS B CB 1 -ATOM 2979 C CG . LYS B 1 146 ? 47.924 23.811 47.724 1.00 12.68 ? 146 LYS B CG 1 -ATOM 2980 C CD . LYS B 1 146 ? 46.456 23.889 48.114 1.00 13.43 ? 146 LYS B CD 1 -ATOM 2981 C CE . LYS B 1 146 ? 45.560 24.089 46.898 1.00 14.39 ? 146 LYS B CE 1 -ATOM 2982 N NZ . LYS B 1 146 ? 45.512 22.876 46.026 1.00 14.55 ? 146 LYS B NZ 1 -ATOM 2983 N N . ASP B 1 147 ? 50.726 21.271 50.038 1.00 10.88 ? 147 ASP B N 1 -ATOM 2984 C CA . ASP B 1 147 ? 51.341 20.623 51.193 1.00 11.25 ? 147 ASP B CA 1 -ATOM 2985 C C . ASP B 1 147 ? 52.817 20.301 51.000 1.00 10.82 ? 147 ASP B C 1 -ATOM 2986 O O . ASP B 1 147 ? 53.222 19.819 49.943 1.00 10.43 ? 147 ASP B O 1 -ATOM 2987 C CB . ASP B 1 147 ? 50.579 19.342 51.531 1.00 12.41 ? 147 ASP B CB 1 -ATOM 2988 C CG . ASP B 1 147 ? 49.097 19.585 51.733 1.00 13.68 ? 147 ASP B CG 1 -ATOM 2989 O OD1 . ASP B 1 147 ? 48.746 20.503 52.502 1.00 14.67 ? 147 ASP B OD1 1 -ATOM 2990 O OD2 . ASP B 1 147 ? 48.284 18.854 51.126 1.00 15.08 ? 147 ASP B OD2 1 -ATOM 2991 N N . GLU B 1 148 ? 53.617 20.553 52.034 1.00 10.54 ? 148 GLU B N 1 -ATOM 2992 C CA . GLU B 1 148 ? 55.050 20.294 51.967 1.00 10.46 ? 148 GLU B CA 1 -ATOM 2993 C C . GLU B 1 148 ? 55.356 18.855 51.561 1.00 10.11 ? 148 GLU B C 1 -ATOM 2994 O O . GLU B 1 148 ? 56.237 18.616 50.738 1.00 9.85 ? 148 GLU B O 1 -ATOM 2995 C CB . GLU B 1 148 ? 55.721 20.599 53.311 1.00 11.27 ? 148 GLU B CB 1 -ATOM 2996 C CG . GLU B 1 148 ? 57.242 20.596 53.231 1.00 12.49 ? 148 GLU B CG 1 -ATOM 2997 C CD . GLU B 1 148 ? 57.914 20.870 54.562 1.00 13.19 ? 148 GLU B CD 1 -ATOM 2998 O OE1 . GLU B 1 148 ? 57.294 21.527 55.425 1.00 14.20 ? 148 GLU B OE1 1 -ATOM 2999 O OE2 . GLU B 1 148 ? 59.074 20.441 54.734 1.00 14.11 ? 148 GLU B OE2 1 -ATOM 3000 N N . ALA B 1 149 ? 54.630 17.901 52.136 1.00 9.70 ? 149 ALA B N 1 -ATOM 3001 C CA . ALA B 1 149 ? 54.846 16.495 51.816 1.00 9.29 ? 149 ALA B CA 1 -ATOM 3002 C C . ALA B 1 149 ? 54.652 16.228 50.328 1.00 8.87 ? 149 ALA B C 1 -ATOM 3003 O O . ALA B 1 149 ? 55.444 15.511 49.716 1.00 8.82 ? 149 ALA B O 1 -ATOM 3004 C CB . ALA B 1 149 ? 53.907 15.621 52.626 1.00 9.54 ? 149 ALA B CB 1 -ATOM 3005 N N . LEU B 1 150 ? 53.601 16.797 49.746 1.00 8.52 ? 150 LEU B N 1 -ATOM 3006 C CA . LEU B 1 150 ? 53.338 16.601 48.325 1.00 8.30 ? 150 LEU B CA 1 -ATOM 3007 C C . LEU B 1 150 ? 54.380 17.283 47.448 1.00 7.97 ? 150 LEU B C 1 -ATOM 3008 O O . LEU B 1 150 ? 54.762 16.747 46.412 1.00 7.62 ? 150 LEU B O 1 -ATOM 3009 C CB . LEU B 1 150 ? 51.937 17.101 47.964 1.00 8.79 ? 150 LEU B CB 1 -ATOM 3010 C CG . LEU B 1 150 ? 50.799 16.136 48.311 1.00 9.12 ? 150 LEU B CG 1 -ATOM 3011 C CD1 . LEU B 1 150 ? 49.458 16.816 48.104 1.00 9.43 ? 150 LEU B CD1 1 -ATOM 3012 C CD2 . LEU B 1 150 ? 50.911 14.884 47.442 1.00 9.67 ? 150 LEU B CD2 1 -ATOM 3013 N N . ILE B 1 151 ? 54.838 18.461 47.859 1.00 7.66 ? 151 ILE B N 1 -ATOM 3014 C CA . ILE B 1 151 ? 55.847 19.179 47.093 1.00 7.57 ? 151 ILE B CA 1 -ATOM 3015 C C . ILE B 1 151 ? 57.137 18.360 47.098 1.00 7.49 ? 151 ILE B C 1 -ATOM 3016 O O . ILE B 1 151 ? 57.801 18.221 46.068 1.00 7.40 ? 151 ILE B O 1 -ATOM 3017 C CB . ILE B 1 151 ? 56.095 20.587 47.685 1.00 7.60 ? 151 ILE B CB 1 -ATOM 3018 C CG1 . ILE B 1 151 ? 54.868 21.470 47.429 1.00 7.60 ? 151 ILE B CG1 1 -ATOM 3019 C CG2 . ILE B 1 151 ? 57.345 21.204 47.073 1.00 7.50 ? 151 ILE B CG2 1 -ATOM 3020 C CD1 . ILE B 1 151 ? 54.939 22.848 48.059 1.00 7.99 ? 151 ILE B CD1 1 -ATOM 3021 N N . ARG B 1 152 ? 57.478 17.796 48.253 1.00 7.52 ? 152 ARG B N 1 -ATOM 3022 C CA . ARG B 1 152 ? 58.682 16.979 48.360 1.00 7.82 ? 152 ARG B CA 1 -ATOM 3023 C C . ARG B 1 152 ? 58.549 15.709 47.520 1.00 7.67 ? 152 ARG B C 1 -ATOM 3024 O O . ARG B 1 152 ? 59.481 15.325 46.814 1.00 7.40 ? 152 ARG B O 1 -ATOM 3025 C CB . ARG B 1 152 ? 58.958 16.602 49.823 1.00 8.77 ? 152 ARG B CB 1 -ATOM 3026 C CG . ARG B 1 152 ? 59.348 17.773 50.719 1.00 9.93 ? 152 ARG B CG 1 -ATOM 3027 C CD . ARG B 1 152 ? 59.758 17.290 52.110 1.00 11.16 ? 152 ARG B CD 1 -ATOM 3028 N NE . ARG B 1 152 ? 60.967 16.472 52.065 1.00 12.91 ? 152 ARG B NE 1 -ATOM 3029 C CZ . ARG B 1 152 ? 62.202 16.961 51.994 1.00 13.35 ? 152 ARG B CZ 1 -ATOM 3030 N NH1 . ARG B 1 152 ? 62.401 18.274 51.971 1.00 14.11 ? 152 ARG B NH1 1 -ATOM 3031 N NH2 . ARG B 1 152 ? 63.237 16.134 51.923 1.00 14.09 ? 152 ARG B NH2 1 -ATOM 3032 N N . LYS B 1 153 ? 57.387 15.064 47.589 1.00 7.50 ? 153 LYS B N 1 -ATOM 3033 C CA . LYS B 1 153 ? 57.158 13.831 46.838 1.00 7.47 ? 153 LYS B CA 1 -ATOM 3034 C C . LYS B 1 153 ? 57.247 14.048 45.325 1.00 7.15 ? 153 LYS B C 1 -ATOM 3035 O O . LYS B 1 153 ? 57.876 13.264 44.615 1.00 6.99 ? 153 LYS B O 1 -ATOM 3036 C CB . LYS B 1 153 ? 55.795 13.234 47.211 1.00 8.17 ? 153 LYS B CB 1 -ATOM 3037 C CG . LYS B 1 153 ? 55.472 11.917 46.514 1.00 8.99 ? 153 LYS B CG 1 -ATOM 3038 C CD . LYS B 1 153 ? 56.535 10.854 46.756 1.00 9.91 ? 153 LYS B CD 1 -ATOM 3039 C CE . LYS B 1 153 ? 56.635 10.474 48.225 1.00 10.45 ? 153 LYS B CE 1 -ATOM 3040 N NZ . LYS B 1 153 ? 57.674 9.431 48.436 1.00 11.18 ? 153 LYS B NZ 1 -ATOM 3041 N N . ALA B 1 154 ? 56.622 15.110 44.832 1.00 6.70 ? 154 ALA B N 1 -ATOM 3042 C CA . ALA B 1 154 ? 56.664 15.407 43.405 1.00 6.53 ? 154 ALA B CA 1 -ATOM 3043 C C . ALA B 1 154 ? 58.105 15.689 42.976 1.00 6.41 ? 154 ALA B C 1 -ATOM 3044 O O . ALA B 1 154 ? 58.531 15.278 41.900 1.00 6.27 ? 154 ALA B O 1 -ATOM 3045 C CB . ALA B 1 154 ? 55.777 16.604 43.094 1.00 6.36 ? 154 ALA B CB 1 -ATOM 3046 N N . SER B 1 155 ? 58.851 16.396 43.820 1.00 6.47 ? 155 SER B N 1 -ATOM 3047 C CA . SER B 1 155 ? 60.246 16.705 43.522 1.00 6.45 ? 155 SER B CA 1 -ATOM 3048 C C . SER B 1 155 ? 61.059 15.412 43.478 1.00 6.69 ? 155 SER B C 1 -ATOM 3049 O O . SER B 1 155 ? 61.830 15.177 42.545 1.00 6.50 ? 155 SER B O 1 -ATOM 3050 C CB . SER B 1 155 ? 60.824 17.643 44.588 1.00 6.41 ? 155 SER B CB 1 -ATOM 3051 O OG . SER B 1 155 ? 60.133 18.883 44.611 1.00 6.55 ? 155 SER B OG 1 -ATOM 3052 N N . GLU B 1 156 ? 60.867 14.571 44.489 1.00 6.95 ? 156 GLU B N 1 -ATOM 3053 C CA . GLU B 1 156 ? 61.571 13.296 44.585 1.00 7.51 ? 156 GLU B CA 1 -ATOM 3054 C C . GLU B 1 156 ? 61.319 12.399 43.373 1.00 7.16 ? 156 GLU B C 1 -ATOM 3055 O O . GLU B 1 156 ? 62.259 11.866 42.781 1.00 7.07 ? 156 GLU B O 1 -ATOM 3056 C CB . GLU B 1 156 ? 61.149 12.576 45.869 1.00 8.46 ? 156 GLU B CB 1 -ATOM 3057 C CG . GLU B 1 156 ? 61.584 11.121 45.955 1.00 10.75 ? 156 GLU B CG 1 -ATOM 3058 C CD . GLU B 1 156 ? 61.139 10.458 47.247 1.00 11.83 ? 156 GLU B CD 1 -ATOM 3059 O OE1 . GLU B 1 156 ? 60.027 10.768 47.725 1.00 12.67 ? 156 GLU B OE1 1 -ATOM 3060 O OE2 . GLU B 1 156 ? 61.894 9.615 47.777 1.00 13.23 ? 156 GLU B OE2 1 -ATOM 3061 N N . ILE B 1 157 ? 60.051 12.239 43.008 1.00 6.89 ? 157 ILE B N 1 -ATOM 3062 C CA . ILE B 1 157 ? 59.687 11.409 41.866 1.00 6.76 ? 157 ILE B CA 1 -ATOM 3063 C C . ILE B 1 157 ? 60.320 11.949 40.586 1.00 6.72 ? 157 ILE B C 1 -ATOM 3064 O O . ILE B 1 157 ? 60.896 11.195 39.803 1.00 6.75 ? 157 ILE B O 1 -ATOM 3065 C CB . ILE B 1 157 ? 58.151 11.350 41.694 1.00 6.84 ? 157 ILE B CB 1 -ATOM 3066 C CG1 . ILE B 1 157 ? 57.521 10.648 42.901 1.00 7.15 ? 157 ILE B CG1 1 -ATOM 3067 C CG2 . ILE B 1 157 ? 57.792 10.597 40.419 1.00 6.84 ? 157 ILE B CG2 1 -ATOM 3068 C CD1 . ILE B 1 157 ? 56.013 10.696 42.906 1.00 7.33 ? 157 ILE B CD1 1 -ATOM 3069 N N . SER B 1 158 ? 60.221 13.259 40.383 1.00 6.63 ? 158 SER B N 1 -ATOM 3070 C CA . SER B 1 158 ? 60.787 13.888 39.194 1.00 6.44 ? 158 SER B CA 1 -ATOM 3071 C C . SER B 1 158 ? 62.287 13.633 39.101 1.00 6.54 ? 158 SER B C 1 -ATOM 3072 O O . SER B 1 158 ? 62.809 13.317 38.030 1.00 6.39 ? 158 SER B O 1 -ATOM 3073 C CB . SER B 1 158 ? 60.515 15.395 39.216 1.00 6.48 ? 158 SER B CB 1 -ATOM 3074 O OG . SER B 1 158 ? 59.122 15.656 39.179 1.00 6.72 ? 158 SER B OG 1 -ATOM 3075 N N . ILE B 1 159 ? 62.977 13.776 40.227 1.00 6.59 ? 159 ILE B N 1 -ATOM 3076 C CA . ILE B 1 159 ? 64.415 13.551 40.273 1.00 6.89 ? 159 ILE B CA 1 -ATOM 3077 C C . ILE B 1 159 ? 64.760 12.097 39.954 1.00 7.14 ? 159 ILE B C 1 -ATOM 3078 O O . ILE B 1 159 ? 65.646 11.829 39.143 1.00 7.30 ? 159 ILE B O 1 -ATOM 3079 C CB . ILE B 1 159 ? 64.972 13.958 41.656 1.00 6.74 ? 159 ILE B CB 1 -ATOM 3080 C CG1 . ILE B 1 159 ? 64.943 15.484 41.773 1.00 6.99 ? 159 ILE B CG1 1 -ATOM 3081 C CG2 . ILE B 1 159 ? 66.389 13.434 41.841 1.00 6.92 ? 159 ILE B CG2 1 -ATOM 3082 C CD1 . ILE B 1 159 ? 65.224 16.013 43.168 1.00 7.18 ? 159 ILE B CD1 1 -ATOM 3083 N N . LYS B 1 160 ? 64.055 11.157 40.578 1.00 7.49 ? 160 LYS B N 1 -ATOM 3084 C CA . LYS B 1 160 ? 64.307 9.743 40.321 1.00 7.87 ? 160 LYS B CA 1 -ATOM 3085 C C . LYS B 1 160 ? 64.042 9.387 38.859 1.00 7.80 ? 160 LYS B C 1 -ATOM 3086 O O . LYS B 1 160 ? 64.704 8.512 38.296 1.00 7.95 ? 160 LYS B O 1 -ATOM 3087 C CB . LYS B 1 160 ? 63.430 8.872 41.225 1.00 8.51 ? 160 LYS B CB 1 -ATOM 3088 C CG . LYS B 1 160 ? 63.803 8.938 42.698 1.00 9.50 ? 160 LYS B CG 1 -ATOM 3089 C CD . LYS B 1 160 ? 62.890 8.054 43.528 1.00 10.33 ? 160 LYS B CD 1 -ATOM 3090 C CE . LYS B 1 160 ? 63.298 8.039 44.990 1.00 10.99 ? 160 LYS B CE 1 -ATOM 3091 N NZ . LYS B 1 160 ? 62.322 7.274 45.811 1.00 11.71 ? 160 LYS B NZ 1 -ATOM 3092 N N . ALA B 1 161 ? 63.083 10.076 38.246 1.00 7.50 ? 161 ALA B N 1 -ATOM 3093 C CA . ALA B 1 161 ? 62.724 9.824 36.857 1.00 7.40 ? 161 ALA B CA 1 -ATOM 3094 C C . ALA B 1 161 ? 63.694 10.448 35.855 1.00 7.31 ? 161 ALA B C 1 -ATOM 3095 O O . ALA B 1 161 ? 63.607 10.178 34.655 1.00 7.72 ? 161 ALA B O 1 -ATOM 3096 C CB . ALA B 1 161 ? 61.307 10.307 36.595 1.00 7.23 ? 161 ALA B CB 1 -ATOM 3097 N N . GLY B 1 162 ? 64.605 11.288 36.339 1.00 7.17 ? 162 GLY B N 1 -ATOM 3098 C CA . GLY B 1 162 ? 65.588 11.886 35.449 1.00 6.91 ? 162 GLY B CA 1 -ATOM 3099 C C . GLY B 1 162 ? 65.544 13.383 35.193 1.00 6.64 ? 162 GLY B C 1 -ATOM 3100 O O . GLY B 1 162 ? 66.219 13.870 34.288 1.00 6.85 ? 162 GLY B O 1 -ATOM 3101 N N . ALA B 1 163 ? 64.766 14.124 35.975 1.00 6.52 ? 163 ALA B N 1 -ATOM 3102 C CA . ALA B 1 163 ? 64.682 15.570 35.788 1.00 6.32 ? 163 ALA B CA 1 -ATOM 3103 C C . ALA B 1 163 ? 66.062 16.227 35.877 1.00 6.26 ? 163 ALA B C 1 -ATOM 3104 O O . ALA B 1 163 ? 66.845 15.913 36.771 1.00 6.37 ? 163 ALA B O 1 -ATOM 3105 C CB . ALA B 1 163 ? 63.752 16.176 36.839 1.00 6.41 ? 163 ALA B CB 1 -ATOM 3106 N N . ASP B 1 164 ? 66.366 17.129 34.948 1.00 6.03 ? 164 ASP B N 1 -ATOM 3107 C CA . ASP B 1 164 ? 67.650 17.828 34.974 1.00 6.02 ? 164 ASP B CA 1 -ATOM 3108 C C . ASP B 1 164 ? 67.497 19.101 35.798 1.00 5.84 ? 164 ASP B C 1 -ATOM 3109 O O . ASP B 1 164 ? 68.483 19.672 36.263 1.00 5.73 ? 164 ASP B O 1 -ATOM 3110 C CB . ASP B 1 164 ? 68.111 18.197 33.560 1.00 6.23 ? 164 ASP B CB 1 -ATOM 3111 C CG . ASP B 1 164 ? 68.374 16.984 32.693 1.00 6.44 ? 164 ASP B CG 1 -ATOM 3112 O OD1 . ASP B 1 164 ? 69.118 16.083 33.135 1.00 6.83 ? 164 ASP B OD1 1 -ATOM 3113 O OD2 . ASP B 1 164 ? 67.846 16.939 31.564 1.00 6.65 ? 164 ASP B OD2 1 -ATOM 3114 N N . PHE B 1 165 ? 66.242 19.521 35.964 1.00 5.72 ? 165 PHE B N 1 -ATOM 3115 C CA . PHE B 1 165 ? 65.856 20.712 36.726 1.00 5.88 ? 165 PHE B CA 1 -ATOM 3116 C C . PHE B 1 165 ? 64.473 20.461 37.320 1.00 5.67 ? 165 PHE B C 1 -ATOM 3117 O O . PHE B 1 165 ? 63.650 19.778 36.705 1.00 5.05 ? 165 PHE B O 1 -ATOM 3118 C CB . PHE B 1 165 ? 65.670 21.919 35.797 1.00 6.54 ? 165 PHE B CB 1 -ATOM 3119 C CG . PHE B 1 165 ? 66.873 22.797 35.631 1.00 7.31 ? 165 PHE B CG 1 -ATOM 3120 C CD1 . PHE B 1 165 ? 67.094 23.867 36.495 1.00 7.54 ? 165 PHE B CD1 1 -ATOM 3121 C CD2 . PHE B 1 165 ? 67.729 22.621 34.551 1.00 7.57 ? 165 PHE B CD2 1 -ATOM 3122 C CE1 . PHE B 1 165 ? 68.142 24.756 36.280 1.00 8.20 ? 165 PHE B CE1 1 -ATOM 3123 C CE2 . PHE B 1 165 ? 68.782 23.507 34.329 1.00 8.19 ? 165 PHE B CE2 1 -ATOM 3124 C CZ . PHE B 1 165 ? 68.984 24.575 35.194 1.00 8.19 ? 165 PHE B CZ 1 -ATOM 3125 N N . ILE B 1 166 ? 64.217 20.989 38.511 1.00 5.46 ? 166 ILE B N 1 -ATOM 3126 C CA . ILE B 1 166 ? 62.873 20.916 39.059 1.00 5.58 ? 166 ILE B CA 1 -ATOM 3127 C C . ILE B 1 166 ? 62.462 22.388 39.148 1.00 5.36 ? 166 ILE B C 1 -ATOM 3128 O O . ILE B 1 166 ? 63.225 23.243 39.615 1.00 5.12 ? 166 ILE B O 1 -ATOM 3129 C CB . ILE B 1 166 ? 62.776 20.159 40.423 1.00 5.77 ? 166 ILE B CB 1 -ATOM 3130 C CG1 . ILE B 1 166 ? 63.784 20.684 41.442 1.00 6.15 ? 166 ILE B CG1 1 -ATOM 3131 C CG2 . ILE B 1 166 ? 62.965 18.666 40.169 1.00 6.51 ? 166 ILE B CG2 1 -ATOM 3132 C CD1 . ILE B 1 166 ? 63.620 20.045 42.825 1.00 6.52 ? 166 ILE B CD1 1 -ATOM 3133 N N . LYS B 1 167 ? 61.268 22.673 38.638 1.00 5.40 ? 167 LYS B N 1 -ATOM 3134 C CA . LYS B 1 167 ? 60.732 24.028 38.543 1.00 5.57 ? 167 LYS B CA 1 -ATOM 3135 C C . LYS B 1 167 ? 59.460 24.152 39.372 1.00 5.51 ? 167 LYS B C 1 -ATOM 3136 O O . LYS B 1 167 ? 58.648 23.233 39.413 1.00 5.60 ? 167 LYS B O 1 -ATOM 3137 C CB . LYS B 1 167 ? 60.475 24.307 37.055 1.00 5.65 ? 167 LYS B CB 1 -ATOM 3138 C CG . LYS B 1 167 ? 59.834 25.629 36.686 1.00 5.75 ? 167 LYS B CG 1 -ATOM 3139 C CD . LYS B 1 167 ? 59.766 25.719 35.164 1.00 5.86 ? 167 LYS B CD 1 -ATOM 3140 C CE . LYS B 1 167 ? 58.855 26.840 34.699 1.00 6.15 ? 167 LYS B CE 1 -ATOM 3141 N NZ . LYS B 1 167 ? 58.703 26.856 33.218 1.00 6.76 ? 167 LYS B NZ 1 -ATOM 3142 N N . THR B 1 168 ? 59.272 25.294 40.025 1.00 5.42 ? 168 THR B N 1 -ATOM 3143 C CA . THR B 1 168 ? 58.110 25.458 40.891 1.00 5.52 ? 168 THR B CA 1 -ATOM 3144 C C . THR B 1 168 ? 56.732 25.529 40.269 1.00 5.53 ? 168 THR B C 1 -ATOM 3145 O O . THR B 1 168 ? 55.822 24.818 40.704 1.00 5.35 ? 168 THR B O 1 -ATOM 3146 C CB . THR B 1 168 ? 58.205 26.724 41.783 1.00 5.71 ? 168 THR B CB 1 -ATOM 3147 O OG1 . THR B 1 168 ? 58.082 27.900 40.971 1.00 5.87 ? 168 THR B OG1 1 -ATOM 3148 C CG2 . THR B 1 168 ? 59.517 26.754 42.543 1.00 5.90 ? 168 THR B CG2 1 -ATOM 3149 N N . SER B 1 169 ? 56.571 26.368 39.250 1.00 5.69 ? 169 SER B N 1 -ATOM 3150 C CA . SER B 1 169 ? 55.242 26.585 38.706 1.00 5.60 ? 169 SER B CA 1 -ATOM 3151 C C . SER B 1 169 ? 55.135 26.924 37.226 1.00 5.44 ? 169 SER B C 1 -ATOM 3152 O O . SER B 1 169 ? 56.137 27.142 36.543 1.00 5.50 ? 169 SER B O 1 -ATOM 3153 C CB . SER B 1 169 ? 54.591 27.714 39.504 1.00 6.27 ? 169 SER B CB 1 -ATOM 3154 O OG . SER B 1 169 ? 55.131 27.793 40.819 1.00 5.98 ? 169 SER B OG 1 -ATOM 3155 N N . THR B 1 170 ? 53.886 26.985 36.763 1.00 5.36 ? 170 THR B N 1 -ATOM 3156 C CA . THR B 1 170 ? 53.552 27.318 35.377 1.00 5.24 ? 170 THR B CA 1 -ATOM 3157 C C . THR B 1 170 ? 53.301 28.807 35.179 1.00 5.47 ? 170 THR B C 1 -ATOM 3158 O O . THR B 1 170 ? 53.350 29.297 34.052 1.00 5.24 ? 170 THR B O 1 -ATOM 3159 C CB . THR B 1 170 ? 52.256 26.623 34.911 1.00 4.82 ? 170 THR B CB 1 -ATOM 3160 O OG1 . THR B 1 170 ? 51.157 27.059 35.731 1.00 4.89 ? 170 THR B OG1 1 -ATOM 3161 C CG2 . THR B 1 170 ? 52.398 25.116 34.992 1.00 5.12 ? 170 THR B CG2 1 -ATOM 3162 N N . GLY B 1 171 ? 53.014 29.514 36.269 1.00 5.67 ? 171 GLY B N 1 -ATOM 3163 C CA . GLY B 1 171 ? 52.712 30.929 36.170 1.00 5.96 ? 171 GLY B CA 1 -ATOM 3164 C C . GLY B 1 171 ? 51.273 31.104 35.714 1.00 6.10 ? 171 GLY B C 1 -ATOM 3165 O O . GLY B 1 171 ? 50.853 32.210 35.383 1.00 6.17 ? 171 GLY B O 1 -ATOM 3166 N N . LYS B 1 172 ? 50.515 30.009 35.701 1.00 6.16 ? 172 LYS B N 1 -ATOM 3167 C CA . LYS B 1 172 ? 49.120 30.031 35.255 1.00 6.62 ? 172 LYS B CA 1 -ATOM 3168 C C . LYS B 1 172 ? 48.101 29.737 36.357 1.00 6.56 ? 172 LYS B C 1 -ATOM 3169 O O . LYS B 1 172 ? 46.893 29.718 36.099 1.00 7.15 ? 172 LYS B O 1 -ATOM 3170 C CB . LYS B 1 172 ? 48.920 29.022 34.118 1.00 7.02 ? 172 LYS B CB 1 -ATOM 3171 C CG . LYS B 1 172 ? 49.782 29.265 32.886 1.00 7.80 ? 172 LYS B CG 1 -ATOM 3172 C CD . LYS B 1 172 ? 49.403 30.565 32.201 1.00 8.50 ? 172 LYS B CD 1 -ATOM 3173 C CE . LYS B 1 172 ? 50.193 30.773 30.917 1.00 9.12 ? 172 LYS B CE 1 -ATOM 3174 N NZ . LYS B 1 172 ? 49.754 32.019 30.235 1.00 10.58 ? 172 LYS B NZ 1 -ATOM 3175 N N . VAL B 1 173 ? 48.580 29.488 37.573 1.00 6.42 ? 173 VAL B N 1 -ATOM 3176 C CA . VAL B 1 173 ? 47.687 29.206 38.690 1.00 6.52 ? 173 VAL B CA 1 -ATOM 3177 C C . VAL B 1 173 ? 47.745 30.331 39.723 1.00 6.52 ? 173 VAL B C 1 -ATOM 3178 O O . VAL B 1 173 ? 48.571 31.240 39.616 1.00 6.56 ? 173 VAL B O 1 -ATOM 3179 C CB . VAL B 1 173 ? 48.028 27.845 39.353 1.00 6.40 ? 173 VAL B CB 1 -ATOM 3180 C CG1 . VAL B 1 173 ? 47.756 26.713 38.367 1.00 6.81 ? 173 VAL B CG1 1 -ATOM 3181 C CG2 . VAL B 1 173 ? 49.482 27.817 39.788 1.00 6.52 ? 173 VAL B CG2 1 -ATOM 3182 N N . ALA B 1 174 ? 46.869 30.270 40.720 1.00 6.67 ? 174 ALA B N 1 -ATOM 3183 C CA . ALA B 1 174 ? 46.794 31.308 41.746 1.00 6.71 ? 174 ALA B CA 1 -ATOM 3184 C C . ALA B 1 174 ? 48.109 31.606 42.456 1.00 6.82 ? 174 ALA B C 1 -ATOM 3185 O O . ALA B 1 174 ? 48.501 32.765 42.577 1.00 7.04 ? 174 ALA B O 1 -ATOM 3186 C CB . ALA B 1 174 ? 45.721 30.944 42.766 1.00 7.00 ? 174 ALA B CB 1 -ATOM 3187 N N . VAL B 1 175 ? 48.781 30.562 42.927 1.00 6.52 ? 175 VAL B N 1 -ATOM 3188 C CA . VAL B 1 175 ? 50.047 30.714 43.630 1.00 6.44 ? 175 VAL B CA 1 -ATOM 3189 C C . VAL B 1 175 ? 51.169 30.041 42.858 1.00 6.26 ? 175 VAL B C 1 -ATOM 3190 O O . VAL B 1 175 ? 51.042 28.896 42.420 1.00 5.89 ? 175 VAL B O 1 -ATOM 3191 C CB . VAL B 1 175 ? 49.972 30.106 45.048 1.00 6.75 ? 175 VAL B CB 1 -ATOM 3192 C CG1 . VAL B 1 175 ? 51.331 30.192 45.730 1.00 7.12 ? 175 VAL B CG1 1 -ATOM 3193 C CG2 . VAL B 1 175 ? 48.916 30.844 45.864 1.00 6.87 ? 175 VAL B CG2 1 -ATOM 3194 N N . ASN B 1 176 ? 52.267 30.762 42.687 1.00 6.27 ? 176 ASN B N 1 -ATOM 3195 C CA . ASN B 1 176 ? 53.408 30.228 41.971 1.00 6.23 ? 176 ASN B CA 1 -ATOM 3196 C C . ASN B 1 176 ? 54.631 30.207 42.882 1.00 6.37 ? 176 ASN B C 1 -ATOM 3197 O O . ASN B 1 176 ? 54.536 29.748 44.014 1.00 6.47 ? 176 ASN B O 1 -ATOM 3198 C CB . ASN B 1 176 ? 53.624 31.040 40.692 1.00 6.44 ? 176 ASN B CB 1 -ATOM 3199 C CG . ASN B 1 176 ? 52.455 30.897 39.725 1.00 6.65 ? 176 ASN B CG 1 -ATOM 3200 O OD1 . ASN B 1 176 ? 52.312 29.877 39.051 1.00 6.37 ? 176 ASN B OD1 1 -ATOM 3201 N ND2 . ASN B 1 176 ? 51.592 31.905 39.686 1.00 7.30 ? 176 ASN B ND2 1 -ATOM 3202 N N . ALA B 1 177 ? 55.774 30.700 42.427 1.00 6.40 ? 177 ALA B N 1 -ATOM 3203 C CA . ALA B 1 177 ? 56.961 30.653 43.272 1.00 6.64 ? 177 ALA B CA 1 -ATOM 3204 C C . ALA B 1 177 ? 56.837 31.441 44.570 1.00 6.68 ? 177 ALA B C 1 -ATOM 3205 O O . ALA B 1 177 ? 56.232 32.510 44.603 1.00 6.85 ? 177 ALA B O 1 -ATOM 3206 C CB . ALA B 1 177 ? 58.173 31.144 42.496 1.00 6.66 ? 177 ALA B CB 1 -ATOM 3207 N N . THR B 1 178 ? 57.396 30.884 45.641 1.00 6.93 ? 178 THR B N 1 -ATOM 3208 C CA . THR B 1 178 ? 57.439 31.543 46.943 1.00 7.22 ? 178 THR B CA 1 -ATOM 3209 C C . THR B 1 178 ? 58.744 31.082 47.569 1.00 7.30 ? 178 THR B C 1 -ATOM 3210 O O . THR B 1 178 ? 59.247 30.004 47.243 1.00 6.97 ? 178 THR B O 1 -ATOM 3211 C CB . THR B 1 178 ? 56.278 31.137 47.892 1.00 7.48 ? 178 THR B CB 1 -ATOM 3212 O OG1 . THR B 1 178 ? 56.434 29.772 48.298 1.00 7.82 ? 178 THR B OG1 1 -ATOM 3213 C CG2 . THR B 1 178 ? 54.931 31.322 47.211 1.00 7.77 ? 178 THR B CG2 1 -ATOM 3214 N N . PRO B 1 179 ? 59.331 31.903 48.449 1.00 7.45 ? 179 PRO B N 1 -ATOM 3215 C CA . PRO B 1 179 ? 60.589 31.505 49.087 1.00 7.91 ? 179 PRO B CA 1 -ATOM 3216 C C . PRO B 1 179 ? 60.428 30.178 49.829 1.00 8.07 ? 179 PRO B C 1 -ATOM 3217 O O . PRO B 1 179 ? 61.332 29.344 49.841 1.00 8.19 ? 179 PRO B O 1 -ATOM 3218 C CB . PRO B 1 179 ? 60.872 32.672 50.030 1.00 7.73 ? 179 PRO B CB 1 -ATOM 3219 C CG . PRO B 1 179 ? 60.322 33.847 49.264 1.00 8.03 ? 179 PRO B CG 1 -ATOM 3220 C CD . PRO B 1 179 ? 58.995 33.304 48.764 1.00 7.83 ? 179 PRO B CD 1 -ATOM 3221 N N . GLU B 1 180 ? 59.263 29.987 50.435 1.00 8.52 ? 180 GLU B N 1 -ATOM 3222 C CA . GLU B 1 180 ? 58.971 28.769 51.180 1.00 9.27 ? 180 GLU B CA 1 -ATOM 3223 C C . GLU B 1 180 ? 59.003 27.531 50.281 1.00 8.91 ? 180 GLU B C 1 -ATOM 3224 O O . GLU B 1 180 ? 59.628 26.524 50.617 1.00 8.58 ? 180 GLU B O 1 -ATOM 3225 C CB . GLU B 1 180 ? 57.600 28.893 51.844 1.00 10.46 ? 180 GLU B CB 1 -ATOM 3226 C CG . GLU B 1 180 ? 57.206 27.722 52.716 1.00 12.66 ? 180 GLU B CG 1 -ATOM 3227 C CD . GLU B 1 180 ? 55.763 27.816 53.169 1.00 13.76 ? 180 GLU B CD 1 -ATOM 3228 O OE1 . GLU B 1 180 ? 54.860 27.651 52.319 1.00 14.97 ? 180 GLU B OE1 1 -ATOM 3229 O OE2 . GLU B 1 180 ? 55.527 28.069 54.369 1.00 15.24 ? 180 GLU B OE2 1 -ATOM 3230 N N . SER B 1 181 ? 58.328 27.605 49.139 1.00 8.55 ? 181 SER B N 1 -ATOM 3231 C CA . SER B 1 181 ? 58.296 26.480 48.210 1.00 8.45 ? 181 SER B CA 1 -ATOM 3232 C C . SER B 1 181 ? 59.668 26.214 47.609 1.00 8.02 ? 181 SER B C 1 -ATOM 3233 O O . SER B 1 181 ? 60.043 25.064 47.379 1.00 7.93 ? 181 SER B O 1 -ATOM 3234 C CB . SER B 1 181 ? 57.289 26.741 47.088 1.00 8.68 ? 181 SER B CB 1 -ATOM 3235 O OG . SER B 1 181 ? 55.964 26.648 47.570 1.00 10.32 ? 181 SER B OG 1 -ATOM 3236 N N . ALA B 1 182 ? 60.420 27.280 47.358 1.00 7.82 ? 182 ALA B N 1 -ATOM 3237 C CA . ALA B 1 182 ? 61.753 27.143 46.788 1.00 7.72 ? 182 ALA B CA 1 -ATOM 3238 C C . ALA B 1 182 ? 62.683 26.437 47.769 1.00 7.79 ? 182 ALA B C 1 -ATOM 3239 O O . ALA B 1 182 ? 63.479 25.589 47.374 1.00 7.69 ? 182 ALA B O 1 -ATOM 3240 C CB . ALA B 1 182 ? 62.310 28.508 46.428 1.00 7.57 ? 182 ALA B CB 1 -ATOM 3241 N N . ARG B 1 183 ? 62.583 26.785 49.048 1.00 7.86 ? 183 ARG B N 1 -ATOM 3242 C CA . ARG B 1 183 ? 63.432 26.152 50.047 1.00 8.19 ? 183 ARG B CA 1 -ATOM 3243 C C . ARG B 1 183 ? 63.119 24.663 50.150 1.00 7.98 ? 183 ARG B C 1 -ATOM 3244 O O . ARG B 1 183 ? 64.028 23.843 50.223 1.00 8.06 ? 183 ARG B O 1 -ATOM 3245 C CB . ARG B 1 183 ? 63.256 26.831 51.410 1.00 8.59 ? 183 ARG B CB 1 -ATOM 3246 C CG . ARG B 1 183 ? 64.153 26.262 52.507 1.00 9.61 ? 183 ARG B CG 1 -ATOM 3247 C CD . ARG B 1 183 ? 64.055 27.079 53.791 1.00 10.51 ? 183 ARG B CD 1 -ATOM 3248 N NE . ARG B 1 183 ? 64.765 28.356 53.704 1.00 11.77 ? 183 ARG B NE 1 -ATOM 3249 C CZ . ARG B 1 183 ? 66.081 28.498 53.847 1.00 11.99 ? 183 ARG B CZ 1 -ATOM 3250 N NH1 . ARG B 1 183 ? 66.845 27.441 54.090 1.00 12.60 ? 183 ARG B NH1 1 -ATOM 3251 N NH2 . ARG B 1 183 ? 66.636 29.700 53.752 1.00 12.58 ? 183 ARG B NH2 1 -ATOM 3252 N N . ILE B 1 184 ? 61.835 24.313 50.141 1.00 7.67 ? 184 ILE B N 1 -ATOM 3253 C CA . ILE B 1 184 ? 61.436 22.909 50.227 1.00 7.43 ? 184 ILE B CA 1 -ATOM 3254 C C . ILE B 1 184 ? 62.020 22.091 49.073 1.00 7.37 ? 184 ILE B C 1 -ATOM 3255 O O . ILE B 1 184 ? 62.608 21.033 49.287 1.00 7.28 ? 184 ILE B O 1 -ATOM 3256 C CB . ILE B 1 184 ? 59.888 22.760 50.219 1.00 7.44 ? 184 ILE B CB 1 -ATOM 3257 C CG1 . ILE B 1 184 ? 59.300 23.384 51.488 1.00 7.67 ? 184 ILE B CG1 1 -ATOM 3258 C CG2 . ILE B 1 184 ? 59.498 21.285 50.110 1.00 7.68 ? 184 ILE B CG2 1 -ATOM 3259 C CD1 . ILE B 1 184 ? 57.788 23.505 51.474 1.00 8.06 ? 184 ILE B CD1 1 -ATOM 3260 N N . MET B 1 185 ? 61.865 22.588 47.849 1.00 7.22 ? 185 MET B N 1 -ATOM 3261 C CA . MET B 1 185 ? 62.373 21.885 46.680 1.00 7.19 ? 185 MET B CA 1 -ATOM 3262 C C . MET B 1 185 ? 63.891 21.766 46.694 1.00 7.49 ? 185 MET B C 1 -ATOM 3263 O O . MET B 1 185 ? 64.434 20.711 46.362 1.00 7.27 ? 185 MET B O 1 -ATOM 3264 C CB . MET B 1 185 ? 61.892 22.580 45.402 1.00 7.05 ? 185 MET B CB 1 -ATOM 3265 C CG . MET B 1 185 ? 60.388 22.421 45.180 1.00 6.19 ? 185 MET B CG 1 -ATOM 3266 S SD . MET B 1 185 ? 59.759 23.238 43.698 1.00 6.10 ? 185 MET B SD 1 -ATOM 3267 C CE . MET B 1 185 ? 60.430 22.174 42.414 1.00 6.44 ? 185 MET B CE 1 -ATOM 3268 N N . MET B 1 186 ? 64.580 22.835 47.080 1.00 7.85 ? 186 MET B N 1 -ATOM 3269 C CA . MET B 1 186 ? 66.033 22.789 47.135 1.00 8.36 ? 186 MET B CA 1 -ATOM 3270 C C . MET B 1 186 ? 66.488 21.856 48.256 1.00 8.39 ? 186 MET B C 1 -ATOM 3271 O O . MET B 1 186 ? 67.546 21.236 48.156 1.00 8.37 ? 186 MET B O 1 -ATOM 3272 C CB . MET B 1 186 ? 66.617 24.192 47.322 1.00 8.72 ? 186 MET B CB 1 -ATOM 3273 C CG . MET B 1 186 ? 66.393 25.102 46.119 1.00 9.71 ? 186 MET B CG 1 -ATOM 3274 S SD . MET B 1 186 ? 67.471 26.554 46.080 1.00 10.38 ? 186 MET B SD 1 -ATOM 3275 C CE . MET B 1 186 ? 68.817 25.939 45.134 1.00 11.08 ? 186 MET B CE 1 -ATOM 3276 N N . GLU B 1 187 ? 65.685 21.746 49.313 1.00 8.61 ? 187 GLU B N 1 -ATOM 3277 C CA . GLU B 1 187 ? 66.021 20.849 50.417 1.00 9.01 ? 187 GLU B CA 1 -ATOM 3278 C C . GLU B 1 187 ? 65.954 19.409 49.915 1.00 8.81 ? 187 GLU B C 1 -ATOM 3279 O O . GLU B 1 187 ? 66.701 18.553 50.378 1.00 8.77 ? 187 GLU B O 1 -ATOM 3280 C CB . GLU B 1 187 ? 65.056 21.042 51.595 1.00 9.79 ? 187 GLU B CB 1 -ATOM 3281 C CG . GLU B 1 187 ? 65.281 22.335 52.369 1.00 11.41 ? 187 GLU B CG 1 -ATOM 3282 C CD . GLU B 1 187 ? 64.255 22.559 53.468 1.00 12.25 ? 187 GLU B CD 1 -ATOM 3283 O OE1 . GLU B 1 187 ? 63.050 22.353 53.213 1.00 13.53 ? 187 GLU B OE1 1 -ATOM 3284 O OE2 . GLU B 1 187 ? 64.648 22.959 54.584 1.00 13.21 ? 187 GLU B OE2 1 -ATOM 3285 N N . VAL B 1 188 ? 65.059 19.137 48.967 1.00 8.49 ? 188 VAL B N 1 -ATOM 3286 C CA . VAL B 1 188 ? 64.949 17.787 48.421 1.00 8.39 ? 188 VAL B CA 1 -ATOM 3287 C C . VAL B 1 188 ? 66.207 17.464 47.615 1.00 8.44 ? 188 VAL B C 1 -ATOM 3288 O O . VAL B 1 188 ? 66.767 16.375 47.738 1.00 8.40 ? 188 VAL B O 1 -ATOM 3289 C CB . VAL B 1 188 ? 63.702 17.635 47.520 1.00 8.17 ? 188 VAL B CB 1 -ATOM 3290 C CG1 . VAL B 1 188 ? 63.707 16.267 46.849 1.00 8.26 ? 188 VAL B CG1 1 -ATOM 3291 C CG2 . VAL B 1 188 ? 62.436 17.795 48.357 1.00 8.43 ? 188 VAL B CG2 1 -ATOM 3292 N N . ILE B 1 189 ? 66.649 18.413 46.793 1.00 8.46 ? 189 ILE B N 1 -ATOM 3293 C CA . ILE B 1 189 ? 67.856 18.232 45.991 1.00 8.81 ? 189 ILE B CA 1 -ATOM 3294 C C . ILE B 1 189 ? 69.014 17.931 46.942 1.00 9.25 ? 189 ILE B C 1 -ATOM 3295 O O . ILE B 1 189 ? 69.831 17.042 46.690 1.00 9.24 ? 189 ILE B O 1 -ATOM 3296 C CB . ILE B 1 189 ? 68.172 19.508 45.169 1.00 8.69 ? 189 ILE B CB 1 -ATOM 3297 C CG1 . ILE B 1 189 ? 67.079 19.729 44.119 1.00 8.72 ? 189 ILE B CG1 1 -ATOM 3298 C CG2 . ILE B 1 189 ? 69.532 19.381 44.502 1.00 8.86 ? 189 ILE B CG2 1 -ATOM 3299 C CD1 . ILE B 1 189 ? 67.243 21.000 43.310 1.00 8.81 ? 189 ILE B CD1 1 -ATOM 3300 N N . ARG B 1 190 ? 69.068 18.672 48.046 1.00 9.71 ? 190 ARG B N 1 -ATOM 3301 C CA . ARG B 1 190 ? 70.112 18.478 49.044 1.00 10.56 ? 190 ARG B CA 1 -ATOM 3302 C C . ARG B 1 190 ? 70.002 17.117 49.721 1.00 10.54 ? 190 ARG B C 1 -ATOM 3303 O O . ARG B 1 190 ? 70.979 16.370 49.785 1.00 10.71 ? 190 ARG B O 1 -ATOM 3304 C CB . ARG B 1 190 ? 70.042 19.572 50.112 1.00 11.17 ? 190 ARG B CB 1 -ATOM 3305 C CG . ARG B 1 190 ? 70.934 19.302 51.325 1.00 12.61 ? 190 ARG B CG 1 -ATOM 3306 C CD . ARG B 1 190 ? 70.790 20.386 52.380 1.00 13.87 ? 190 ARG B CD 1 -ATOM 3307 N NE . ARG B 1 190 ? 69.448 20.449 52.947 1.00 15.08 ? 190 ARG B NE 1 -ATOM 3308 C CZ . ARG B 1 190 ? 68.935 19.541 53.768 1.00 15.36 ? 190 ARG B CZ 1 -ATOM 3309 N NH1 . ARG B 1 190 ? 69.656 18.486 54.124 1.00 16.33 ? 190 ARG B NH1 1 -ATOM 3310 N NH2 . ARG B 1 190 ? 67.705 19.694 54.244 1.00 15.58 ? 190 ARG B NH2 1 -ATOM 3311 N N . ASP B 1 191 ? 68.814 16.799 50.227 1.00 10.67 ? 191 ASP B N 1 -ATOM 3312 C CA . ASP B 1 191 ? 68.599 15.534 50.925 1.00 10.85 ? 191 ASP B CA 1 -ATOM 3313 C C . ASP B 1 191 ? 68.861 14.310 50.061 1.00 10.87 ? 191 ASP B C 1 -ATOM 3314 O O . ASP B 1 191 ? 69.246 13.258 50.574 1.00 11.02 ? 191 ASP B O 1 -ATOM 3315 C CB . ASP B 1 191 ? 67.176 15.460 51.490 1.00 11.26 ? 191 ASP B CB 1 -ATOM 3316 C CG . ASP B 1 191 ? 66.905 16.531 52.533 1.00 11.43 ? 191 ASP B CG 1 -ATOM 3317 O OD1 . ASP B 1 191 ? 67.878 17.050 53.114 1.00 11.91 ? 191 ASP B OD1 1 -ATOM 3318 O OD2 . ASP B 1 191 ? 65.722 16.844 52.783 1.00 12.17 ? 191 ASP B OD2 1 -ATOM 3319 N N . MET B 1 192 ? 68.654 14.443 48.755 1.00 10.72 ? 192 MET B N 1 -ATOM 3320 C CA . MET B 1 192 ? 68.875 13.332 47.836 1.00 10.60 ? 192 MET B CA 1 -ATOM 3321 C C . MET B 1 192 ? 70.307 13.307 47.312 1.00 10.61 ? 192 MET B C 1 -ATOM 3322 O O . MET B 1 192 ? 70.717 12.352 46.647 1.00 10.63 ? 192 MET B O 1 -ATOM 3323 C CB . MET B 1 192 ? 67.884 13.404 46.667 1.00 10.52 ? 192 MET B CB 1 -ATOM 3324 C CG . MET B 1 192 ? 66.441 13.126 47.074 1.00 10.25 ? 192 MET B CG 1 -ATOM 3325 S SD . MET B 1 192 ? 65.256 13.131 45.700 1.00 10.42 ? 192 MET B SD 1 -ATOM 3326 C CE . MET B 1 192 ? 65.577 11.523 44.968 1.00 10.13 ? 192 MET B CE 1 -ATOM 3327 N N . GLY B 1 193 ? 71.061 14.359 47.620 1.00 10.50 ? 193 GLY B N 1 -ATOM 3328 C CA . GLY B 1 193 ? 72.446 14.449 47.189 1.00 10.69 ? 193 GLY B CA 1 -ATOM 3329 C C . GLY B 1 193 ? 72.619 14.519 45.685 1.00 10.70 ? 193 GLY B C 1 -ATOM 3330 O O . GLY B 1 193 ? 73.592 13.995 45.142 1.00 10.92 ? 193 GLY B O 1 -ATOM 3331 N N . VAL B 1 194 ? 71.686 15.182 45.009 1.00 10.69 ? 194 VAL B N 1 -ATOM 3332 C CA . VAL B 1 194 ? 71.736 15.297 43.555 1.00 10.71 ? 194 VAL B CA 1 -ATOM 3333 C C . VAL B 1 194 ? 71.979 16.725 43.063 1.00 10.88 ? 194 VAL B C 1 -ATOM 3334 O O . VAL B 1 194 ? 71.654 17.052 41.921 1.00 10.69 ? 194 VAL B O 1 -ATOM 3335 C CB . VAL B 1 194 ? 70.421 14.775 42.922 1.00 10.64 ? 194 VAL B CB 1 -ATOM 3336 C CG1 . VAL B 1 194 ? 70.217 13.308 43.281 1.00 10.71 ? 194 VAL B CG1 1 -ATOM 3337 C CG2 . VAL B 1 194 ? 69.239 15.608 43.406 1.00 10.52 ? 194 VAL B CG2 1 -ATOM 3338 N N . GLU B 1 195 ? 72.561 17.568 43.911 1.00 11.20 ? 195 GLU B N 1 -ATOM 3339 C CA . GLU B 1 195 ? 72.810 18.956 43.530 1.00 11.72 ? 195 GLU B CA 1 -ATOM 3340 C C . GLU B 1 195 ? 73.721 19.113 42.312 1.00 11.58 ? 195 GLU B C 1 -ATOM 3341 O O . GLU B 1 195 ? 73.665 20.127 41.619 1.00 11.51 ? 195 GLU B O 1 -ATOM 3342 C CB . GLU B 1 195 ? 73.396 19.748 44.707 1.00 12.56 ? 195 GLU B CB 1 -ATOM 3343 C CG . GLU B 1 195 ? 74.804 19.339 45.106 1.00 14.04 ? 195 GLU B CG 1 -ATOM 3344 C CD . GLU B 1 195 ? 74.832 18.341 46.247 1.00 14.74 ? 195 GLU B CD 1 -ATOM 3345 O OE1 . GLU B 1 195 ? 73.966 17.443 46.289 1.00 15.45 ? 195 GLU B OE1 1 -ATOM 3346 O OE2 . GLU B 1 195 ? 75.736 18.449 47.104 1.00 16.07 ? 195 GLU B OE2 1 -ATOM 3347 N N . LYS B 1 196 ? 74.561 18.122 42.046 1.00 11.49 ? 196 LYS B N 1 -ATOM 3348 C CA . LYS B 1 196 ? 75.457 18.213 40.898 1.00 11.52 ? 196 LYS B CA 1 -ATOM 3349 C C . LYS B 1 196 ? 74.745 17.960 39.575 1.00 10.99 ? 196 LYS B C 1 -ATOM 3350 O O . LYS B 1 196 ? 75.172 18.453 38.531 1.00 11.20 ? 196 LYS B O 1 -ATOM 3351 C CB . LYS B 1 196 ? 76.617 17.223 41.050 1.00 12.37 ? 196 LYS B CB 1 -ATOM 3352 C CG . LYS B 1 196 ? 77.605 17.598 42.144 1.00 13.57 ? 196 LYS B CG 1 -ATOM 3353 C CD . LYS B 1 196 ? 78.723 16.573 42.273 1.00 14.60 ? 196 LYS B CD 1 -ATOM 3354 C CE . LYS B 1 196 ? 78.212 15.262 42.851 1.00 15.27 ? 196 LYS B CE 1 -ATOM 3355 N NZ . LYS B 1 196 ? 77.673 15.440 44.230 1.00 16.07 ? 196 LYS B NZ 1 -ATOM 3356 N N . THR B 1 197 ? 73.646 17.213 39.621 1.00 10.29 ? 197 THR B N 1 -ATOM 3357 C CA . THR B 1 197 ? 72.906 16.872 38.410 1.00 9.72 ? 197 THR B CA 1 -ATOM 3358 C C . THR B 1 197 ? 71.508 17.475 38.272 1.00 9.12 ? 197 THR B C 1 -ATOM 3359 O O . THR B 1 197 ? 70.885 17.351 37.217 1.00 9.13 ? 197 THR B O 1 -ATOM 3360 C CB . THR B 1 197 ? 72.789 15.335 38.274 1.00 9.81 ? 197 THR B CB 1 -ATOM 3361 O OG1 . THR B 1 197 ? 72.228 14.784 39.474 1.00 10.05 ? 197 THR B OG1 1 -ATOM 3362 C CG2 . THR B 1 197 ? 74.163 14.719 38.035 1.00 10.20 ? 197 THR B CG2 1 -ATOM 3363 N N . VAL B 1 198 ? 71.014 18.130 39.317 1.00 8.39 ? 198 VAL B N 1 -ATOM 3364 C CA . VAL B 1 198 ? 69.680 18.719 39.267 1.00 7.90 ? 198 VAL B CA 1 -ATOM 3365 C C . VAL B 1 198 ? 69.680 20.194 39.647 1.00 7.51 ? 198 VAL B C 1 -ATOM 3366 O O . VAL B 1 198 ? 70.154 20.578 40.719 1.00 7.73 ? 198 VAL B O 1 -ATOM 3367 C CB . VAL B 1 198 ? 68.704 17.962 40.199 1.00 7.95 ? 198 VAL B CB 1 -ATOM 3368 C CG1 . VAL B 1 198 ? 67.299 18.547 40.077 1.00 7.97 ? 198 VAL B CG1 1 -ATOM 3369 C CG2 . VAL B 1 198 ? 68.699 16.485 39.846 1.00 8.29 ? 198 VAL B CG2 1 -ATOM 3370 N N . GLY B 1 199 ? 69.148 21.016 38.750 1.00 7.00 ? 199 GLY B N 1 -ATOM 3371 C CA . GLY B 1 199 ? 69.074 22.443 38.993 1.00 6.69 ? 199 GLY B CA 1 -ATOM 3372 C C . GLY B 1 199 ? 67.712 22.841 39.526 1.00 6.33 ? 199 GLY B C 1 -ATOM 3373 O O . GLY B 1 199 ? 66.786 22.029 39.578 1.00 6.39 ? 199 GLY B O 1 -ATOM 3374 N N . PHE B 1 200 ? 67.590 24.098 39.930 1.00 6.11 ? 200 PHE B N 1 -ATOM 3375 C CA . PHE B 1 200 ? 66.332 24.604 40.460 1.00 5.68 ? 200 PHE B CA 1 -ATOM 3376 C C . PHE B 1 200 ? 65.887 25.849 39.707 1.00 5.56 ? 200 PHE B C 1 -ATOM 3377 O O . PHE B 1 200 ? 66.707 26.693 39.350 1.00 5.38 ? 200 PHE B O 1 -ATOM 3378 C CB . PHE B 1 200 ? 66.469 24.933 41.948 1.00 5.79 ? 200 PHE B CB 1 -ATOM 3379 C CG . PHE B 1 200 ? 65.236 25.556 42.538 1.00 5.51 ? 200 PHE B CG 1 -ATOM 3380 C CD1 . PHE B 1 200 ? 64.049 24.833 42.618 1.00 5.62 ? 200 PHE B CD1 1 -ATOM 3381 C CD2 . PHE B 1 200 ? 65.238 26.885 42.947 1.00 5.64 ? 200 PHE B CD2 1 -ATOM 3382 C CE1 . PHE B 1 200 ? 62.882 25.425 43.087 1.00 5.58 ? 200 PHE B CE1 1 -ATOM 3383 C CE2 . PHE B 1 200 ? 64.075 27.489 43.419 1.00 5.41 ? 200 PHE B CE2 1 -ATOM 3384 C CZ . PHE B 1 200 ? 62.894 26.758 43.487 1.00 5.76 ? 200 PHE B CZ 1 -ATOM 3385 N N . LYS B 1 201 ? 64.584 25.963 39.468 1.00 5.46 ? 201 LYS B N 1 -ATOM 3386 C CA . LYS B 1 201 ? 64.046 27.112 38.757 1.00 5.51 ? 201 LYS B CA 1 -ATOM 3387 C C . LYS B 1 201 ? 62.755 27.661 39.354 1.00 5.51 ? 201 LYS B C 1 -ATOM 3388 O O . LYS B 1 201 ? 61.682 27.065 39.211 1.00 5.45 ? 201 LYS B O 1 -ATOM 3389 C CB . LYS B 1 201 ? 63.806 26.764 37.279 1.00 5.47 ? 201 LYS B CB 1 -ATOM 3390 C CG . LYS B 1 201 ? 63.157 27.889 36.464 1.00 5.41 ? 201 LYS B CG 1 -ATOM 3391 C CD . LYS B 1 201 ? 63.030 27.518 34.983 1.00 5.53 ? 201 LYS B CD 1 -ATOM 3392 C CE . LYS B 1 201 ? 62.233 28.574 34.217 1.00 5.89 ? 201 LYS B CE 1 -ATOM 3393 N NZ . LYS B 1 201 ? 62.066 28.237 32.767 1.00 6.27 ? 201 LYS B NZ 1 -ATOM 3394 N N . PRO B 1 202 ? 62.847 28.779 40.088 1.00 5.69 ? 202 PRO B N 1 -ATOM 3395 C CA . PRO B 1 202 ? 61.623 29.344 40.654 1.00 5.93 ? 202 PRO B CA 1 -ATOM 3396 C C . PRO B 1 202 ? 60.961 30.052 39.474 1.00 6.29 ? 202 PRO B C 1 -ATOM 3397 O O . PRO B 1 202 ? 61.644 30.704 38.683 1.00 6.35 ? 202 PRO B O 1 -ATOM 3398 C CB . PRO B 1 202 ? 62.146 30.313 41.711 1.00 5.82 ? 202 PRO B CB 1 -ATOM 3399 C CG . PRO B 1 202 ? 63.448 30.766 41.139 1.00 6.00 ? 202 PRO B CG 1 -ATOM 3400 C CD . PRO B 1 202 ? 64.039 29.486 40.592 1.00 5.78 ? 202 PRO B CD 1 -ATOM 3401 N N . ALA B 1 203 ? 59.647 29.913 39.334 1.00 6.63 ? 203 ALA B N 1 -ATOM 3402 C CA . ALA B 1 203 ? 58.956 30.539 38.216 1.00 7.27 ? 203 ALA B CA 1 -ATOM 3403 C C . ALA B 1 203 ? 57.579 31.066 38.592 1.00 7.90 ? 203 ALA B C 1 -ATOM 3404 O O . ALA B 1 203 ? 56.892 30.496 39.440 1.00 7.64 ? 203 ALA B O 1 -ATOM 3405 C CB . ALA B 1 203 ? 58.838 29.542 37.064 1.00 7.22 ? 203 ALA B CB 1 -ATOM 3406 N N . GLY B 1 204 ? 57.185 32.160 37.945 1.00 8.93 ? 204 GLY B N 1 -ATOM 3407 C CA . GLY B 1 204 ? 55.891 32.765 38.198 1.00 9.99 ? 204 GLY B CA 1 -ATOM 3408 C C . GLY B 1 204 ? 55.871 33.684 39.403 1.00 10.67 ? 204 GLY B C 1 -ATOM 3409 O O . GLY B 1 204 ? 56.226 33.276 40.507 1.00 10.99 ? 204 GLY B O 1 -ATOM 3410 N N . GLY B 1 205 ? 55.470 34.933 39.189 1.00 11.23 ? 205 GLY B N 1 -ATOM 3411 C CA . GLY B 1 205 ? 55.389 35.884 40.283 1.00 11.86 ? 205 GLY B CA 1 -ATOM 3412 C C . GLY B 1 205 ? 56.686 36.529 40.741 1.00 12.18 ? 205 GLY B C 1 -ATOM 3413 O O . GLY B 1 205 ? 56.657 37.426 41.587 1.00 12.60 ? 205 GLY B O 1 -ATOM 3414 N N . VAL B 1 206 ? 57.822 36.081 40.210 1.00 12.34 ? 206 VAL B N 1 -ATOM 3415 C CA . VAL B 1 206 ? 59.111 36.658 40.591 1.00 12.40 ? 206 VAL B CA 1 -ATOM 3416 C C . VAL B 1 206 ? 59.259 37.926 39.764 1.00 12.57 ? 206 VAL B C 1 -ATOM 3417 O O . VAL B 1 206 ? 59.617 37.865 38.591 1.00 12.46 ? 206 VAL B O 1 -ATOM 3418 C CB . VAL B 1 206 ? 60.273 35.696 40.268 1.00 12.28 ? 206 VAL B CB 1 -ATOM 3419 C CG1 . VAL B 1 206 ? 61.565 36.226 40.865 1.00 12.39 ? 206 VAL B CG1 1 -ATOM 3420 C CG2 . VAL B 1 206 ? 59.963 34.304 40.813 1.00 12.44 ? 206 VAL B CG2 1 -ATOM 3421 N N . ARG B 1 207 ? 58.995 39.077 40.375 1.00 12.92 ? 207 ARG B N 1 -ATOM 3422 C CA . ARG B 1 207 ? 59.044 40.328 39.631 1.00 13.31 ? 207 ARG B CA 1 -ATOM 3423 C C . ARG B 1 207 ? 60.051 41.392 40.051 1.00 12.98 ? 207 ARG B C 1 -ATOM 3424 O O . ARG B 1 207 ? 60.367 42.275 39.256 1.00 12.99 ? 207 ARG B O 1 -ATOM 3425 C CB . ARG B 1 207 ? 57.643 40.947 39.612 1.00 14.47 ? 207 ARG B CB 1 -ATOM 3426 C CG . ARG B 1 207 ? 56.555 39.963 39.204 1.00 15.75 ? 207 ARG B CG 1 -ATOM 3427 C CD . ARG B 1 207 ? 55.175 40.605 39.199 1.00 17.06 ? 207 ARG B CD 1 -ATOM 3428 N NE . ARG B 1 207 ? 54.111 39.610 39.067 1.00 18.25 ? 207 ARG B NE 1 -ATOM 3429 C CZ . ARG B 1 207 ? 53.966 38.793 38.027 1.00 18.59 ? 207 ARG B CZ 1 -ATOM 3430 N NH1 . ARG B 1 207 ? 54.816 38.844 37.011 1.00 19.25 ? 207 ARG B NH1 1 -ATOM 3431 N NH2 . ARG B 1 207 ? 52.970 37.917 38.006 1.00 19.15 ? 207 ARG B NH2 1 -ATOM 3432 N N . THR B 1 208 ? 60.559 41.323 41.277 1.00 12.68 ? 208 THR B N 1 -ATOM 3433 C CA . THR B 1 208 ? 61.502 42.341 41.736 1.00 12.44 ? 208 THR B CA 1 -ATOM 3434 C C . THR B 1 208 ? 62.912 41.842 42.013 1.00 12.14 ? 208 THR B C 1 -ATOM 3435 O O . THR B 1 208 ? 63.128 40.663 42.298 1.00 11.86 ? 208 THR B O 1 -ATOM 3436 C CB . THR B 1 208 ? 61.006 43.025 43.019 1.00 12.59 ? 208 THR B CB 1 -ATOM 3437 O OG1 . THR B 1 208 ? 61.142 42.124 44.122 1.00 12.91 ? 208 THR B OG1 1 -ATOM 3438 C CG2 . THR B 1 208 ? 59.546 43.421 42.880 1.00 12.72 ? 208 THR B CG2 1 -ATOM 3439 N N . ALA B 1 209 ? 63.870 42.761 41.937 1.00 11.96 ? 209 ALA B N 1 -ATOM 3440 C CA . ALA B 1 209 ? 65.267 42.436 42.194 1.00 11.92 ? 209 ALA B CA 1 -ATOM 3441 C C . ALA B 1 209 ? 65.392 41.918 43.623 1.00 11.92 ? 209 ALA B C 1 -ATOM 3442 O O . ALA B 1 209 ? 66.214 41.044 43.909 1.00 11.55 ? 209 ALA B O 1 -ATOM 3443 C CB . ALA B 1 209 ? 66.137 43.676 42.004 1.00 11.95 ? 209 ALA B CB 1 -ATOM 3444 N N . GLU B 1 210 ? 64.572 42.467 44.515 1.00 12.20 ? 210 GLU B N 1 -ATOM 3445 C CA . GLU B 1 210 ? 64.575 42.058 45.914 1.00 12.54 ? 210 GLU B CA 1 -ATOM 3446 C C . GLU B 1 210 ? 64.159 40.593 46.036 1.00 12.43 ? 210 GLU B C 1 -ATOM 3447 O O . GLU B 1 210 ? 64.710 39.855 46.849 1.00 12.36 ? 210 GLU B O 1 -ATOM 3448 C CB . GLU B 1 210 ? 63.619 42.930 46.738 1.00 13.17 ? 210 GLU B CB 1 -ATOM 3449 C CG . GLU B 1 210 ? 64.098 44.353 47.024 1.00 14.00 ? 210 GLU B CG 1 -ATOM 3450 C CD . GLU B 1 210 ? 64.117 45.245 45.795 1.00 14.40 ? 210 GLU B CD 1 -ATOM 3451 O OE1 . GLU B 1 210 ? 63.351 44.982 44.843 1.00 14.59 ? 210 GLU B OE1 1 -ATOM 3452 O OE2 . GLU B 1 210 ? 64.888 46.230 45.793 1.00 14.95 ? 210 GLU B OE2 1 -ATOM 3453 N N . ASP B 1 211 ? 63.183 40.178 45.229 1.00 12.38 ? 211 ASP B N 1 -ATOM 3454 C CA . ASP B 1 211 ? 62.721 38.791 45.255 1.00 12.41 ? 211 ASP B CA 1 -ATOM 3455 C C . ASP B 1 211 ? 63.842 37.876 44.782 1.00 11.75 ? 211 ASP B C 1 -ATOM 3456 O O . ASP B 1 211 ? 64.148 36.871 45.414 1.00 11.28 ? 211 ASP B O 1 -ATOM 3457 C CB . ASP B 1 211 ? 61.519 38.574 44.325 1.00 13.67 ? 211 ASP B CB 1 -ATOM 3458 C CG . ASP B 1 211 ? 60.298 39.378 44.727 1.00 14.72 ? 211 ASP B CG 1 -ATOM 3459 O OD1 . ASP B 1 211 ? 60.023 39.498 45.940 1.00 15.73 ? 211 ASP B OD1 1 -ATOM 3460 O OD2 . ASP B 1 211 ? 59.596 39.870 43.813 1.00 15.79 ? 211 ASP B OD2 1 -ATOM 3461 N N . ALA B 1 212 ? 64.441 38.228 43.649 1.00 11.00 ? 212 ALA B N 1 -ATOM 3462 C CA . ALA B 1 212 ? 65.518 37.431 43.079 1.00 10.72 ? 212 ALA B CA 1 -ATOM 3463 C C . ALA B 1 212 ? 66.652 37.224 44.075 1.00 10.59 ? 212 ALA B C 1 -ATOM 3464 O O . ALA B 1 212 ? 67.211 36.134 44.173 1.00 10.58 ? 212 ALA B O 1 -ATOM 3465 C CB . ALA B 1 212 ? 66.043 38.096 41.815 1.00 10.50 ? 212 ALA B CB 1 -ATOM 3466 N N . GLN B 1 213 ? 66.992 38.273 44.815 1.00 10.49 ? 213 GLN B N 1 -ATOM 3467 C CA . GLN B 1 213 ? 68.063 38.181 45.793 1.00 10.41 ? 213 GLN B CA 1 -ATOM 3468 C C . GLN B 1 213 ? 67.747 37.126 46.851 1.00 10.11 ? 213 GLN B C 1 -ATOM 3469 O O . GLN B 1 213 ? 68.622 36.361 47.255 1.00 10.05 ? 213 GLN B O 1 -ATOM 3470 C CB . GLN B 1 213 ? 68.284 39.543 46.450 1.00 10.89 ? 213 GLN B CB 1 -ATOM 3471 C CG . GLN B 1 213 ? 69.355 39.545 47.520 1.00 11.83 ? 213 GLN B CG 1 -ATOM 3472 C CD . GLN B 1 213 ? 69.625 40.931 48.056 1.00 12.70 ? 213 GLN B CD 1 -ATOM 3473 O OE1 . GLN B 1 213 ? 68.707 41.639 48.468 1.00 13.23 ? 213 GLN B OE1 1 -ATOM 3474 N NE2 . GLN B 1 213 ? 70.890 41.328 48.054 1.00 13.05 ? 213 GLN B NE2 1 -ATOM 3475 N N . LYS B 1 214 ? 66.492 37.084 47.290 1.00 9.82 ? 214 LYS B N 1 -ATOM 3476 C CA . LYS B 1 214 ? 66.067 36.116 48.295 1.00 9.88 ? 214 LYS B CA 1 -ATOM 3477 C C . LYS B 1 214 ? 66.178 34.682 47.791 1.00 9.31 ? 214 LYS B C 1 -ATOM 3478 O O . LYS B 1 214 ? 66.590 33.788 48.531 1.00 9.34 ? 214 LYS B O 1 -ATOM 3479 C CB . LYS B 1 214 ? 64.624 36.395 48.723 1.00 10.56 ? 214 LYS B CB 1 -ATOM 3480 C CG . LYS B 1 214 ? 64.437 37.729 49.426 1.00 11.91 ? 214 LYS B CG 1 -ATOM 3481 C CD . LYS B 1 214 ? 62.992 37.940 49.836 1.00 13.07 ? 214 LYS B CD 1 -ATOM 3482 C CE . LYS B 1 214 ? 62.806 39.309 50.463 1.00 13.87 ? 214 LYS B CE 1 -ATOM 3483 N NZ . LYS B 1 214 ? 63.745 39.517 51.597 1.00 14.92 ? 214 LYS B NZ 1 -ATOM 3484 N N . TYR B 1 215 ? 65.807 34.455 46.534 1.00 8.83 ? 215 TYR B N 1 -ATOM 3485 C CA . TYR B 1 215 ? 65.881 33.114 45.969 1.00 8.52 ? 215 TYR B CA 1 -ATOM 3486 C C . TYR B 1 215 ? 67.324 32.631 45.836 1.00 8.45 ? 215 TYR B C 1 -ATOM 3487 O O . TYR B 1 215 ? 67.628 31.467 46.104 1.00 8.30 ? 215 TYR B O 1 -ATOM 3488 C CB . TYR B 1 215 ? 65.166 33.079 44.614 1.00 8.17 ? 215 TYR B CB 1 -ATOM 3489 C CG . TYR B 1 215 ? 63.657 33.095 44.738 1.00 7.97 ? 215 TYR B CG 1 -ATOM 3490 C CD1 . TYR B 1 215 ? 62.972 32.014 45.293 1.00 7.79 ? 215 TYR B CD1 1 -ATOM 3491 C CD2 . TYR B 1 215 ? 62.915 34.202 44.328 1.00 7.96 ? 215 TYR B CD2 1 -ATOM 3492 C CE1 . TYR B 1 215 ? 61.587 32.035 45.441 1.00 8.15 ? 215 TYR B CE1 1 -ATOM 3493 C CE2 . TYR B 1 215 ? 61.528 34.236 44.472 1.00 8.03 ? 215 TYR B CE2 1 -ATOM 3494 C CZ . TYR B 1 215 ? 60.871 33.151 45.030 1.00 7.94 ? 215 TYR B CZ 1 -ATOM 3495 O OH . TYR B 1 215 ? 59.501 33.188 45.183 1.00 8.51 ? 215 TYR B OH 1 -ATOM 3496 N N . LEU B 1 216 ? 68.221 33.523 45.432 1.00 8.49 ? 216 LEU B N 1 -ATOM 3497 C CA . LEU B 1 216 ? 69.623 33.151 45.295 1.00 8.69 ? 216 LEU B CA 1 -ATOM 3498 C C . LEU B 1 216 ? 70.272 32.946 46.663 1.00 8.69 ? 216 LEU B C 1 -ATOM 3499 O O . LEU B 1 216 ? 71.192 32.140 46.803 1.00 8.83 ? 216 LEU B O 1 -ATOM 3500 C CB . LEU B 1 216 ? 70.380 34.219 44.502 1.00 8.86 ? 216 LEU B CB 1 -ATOM 3501 C CG . LEU B 1 216 ? 70.146 34.199 42.989 1.00 8.81 ? 216 LEU B CG 1 -ATOM 3502 C CD1 . LEU B 1 216 ? 70.781 35.419 42.350 1.00 9.32 ? 216 LEU B CD1 1 -ATOM 3503 C CD2 . LEU B 1 216 ? 70.719 32.917 42.398 1.00 8.99 ? 216 LEU B CD2 1 -ATOM 3504 N N . ALA B 1 217 ? 69.785 33.670 47.668 1.00 8.74 ? 217 ALA B N 1 -ATOM 3505 C CA . ALA B 1 217 ? 70.317 33.549 49.022 1.00 8.71 ? 217 ALA B CA 1 -ATOM 3506 C C . ALA B 1 217 ? 70.080 32.131 49.535 1.00 8.79 ? 217 ALA B C 1 -ATOM 3507 O O . ALA B 1 217 ? 70.922 31.561 50.224 1.00 8.77 ? 217 ALA B O 1 -ATOM 3508 C CB . ALA B 1 217 ? 69.650 34.563 49.944 1.00 8.84 ? 217 ALA B CB 1 -ATOM 3509 N N . ILE B 1 218 ? 68.926 31.564 49.202 1.00 8.79 ? 218 ILE B N 1 -ATOM 3510 C CA . ILE B 1 218 ? 68.609 30.205 49.623 1.00 9.07 ? 218 ILE B CA 1 -ATOM 3511 C C . ILE B 1 218 ? 69.578 29.232 48.952 1.00 9.34 ? 218 ILE B C 1 -ATOM 3512 O O . ILE B 1 218 ? 70.093 28.317 49.595 1.00 9.35 ? 218 ILE B O 1 -ATOM 3513 C CB . ILE B 1 218 ? 67.154 29.829 49.253 1.00 9.05 ? 218 ILE B CB 1 -ATOM 3514 C CG1 . ILE B 1 218 ? 66.177 30.751 49.989 1.00 9.14 ? 218 ILE B CG1 1 -ATOM 3515 C CG2 . ILE B 1 218 ? 66.880 28.377 49.622 1.00 8.92 ? 218 ILE B CG2 1 -ATOM 3516 C CD1 . ILE B 1 218 ? 64.730 30.598 49.554 1.00 9.63 ? 218 ILE B CD1 1 -ATOM 3517 N N . ALA B 1 219 ? 69.829 29.436 47.661 1.00 9.60 ? 219 ALA B N 1 -ATOM 3518 C CA . ALA B 1 219 ? 70.750 28.574 46.926 1.00 9.73 ? 219 ALA B CA 1 -ATOM 3519 C C . ALA B 1 219 ? 72.155 28.651 47.523 1.00 10.11 ? 219 ALA B C 1 -ATOM 3520 O O . ALA B 1 219 ? 72.794 27.624 47.754 1.00 10.01 ? 219 ALA B O 1 -ATOM 3521 C CB . ALA B 1 219 ? 70.784 28.968 45.450 1.00 9.77 ? 219 ALA B CB 1 -ATOM 3522 N N . ASP B 1 220 ? 72.634 29.868 47.772 1.00 10.45 ? 220 ASP B N 1 -ATOM 3523 C CA . ASP B 1 220 ? 73.965 30.054 48.345 1.00 10.94 ? 220 ASP B CA 1 -ATOM 3524 C C . ASP B 1 220 ? 74.071 29.397 49.718 1.00 11.26 ? 220 ASP B C 1 -ATOM 3525 O O . ASP B 1 220 ? 75.086 28.785 50.045 1.00 11.32 ? 220 ASP B O 1 -ATOM 3526 C CB . ASP B 1 220 ? 74.299 31.546 48.473 1.00 11.09 ? 220 ASP B CB 1 -ATOM 3527 C CG . ASP B 1 220 ? 74.461 32.231 47.128 1.00 11.47 ? 220 ASP B CG 1 -ATOM 3528 O OD1 . ASP B 1 220 ? 74.565 31.528 46.100 1.00 11.62 ? 220 ASP B OD1 1 -ATOM 3529 O OD2 . ASP B 1 220 ? 74.496 33.481 47.102 1.00 11.72 ? 220 ASP B OD2 1 -ATOM 3530 N N . GLU B 1 221 ? 73.017 29.523 50.515 1.00 11.56 ? 221 GLU B N 1 -ATOM 3531 C CA . GLU B 1 221 ? 72.992 28.951 51.858 1.00 12.13 ? 221 GLU B CA 1 -ATOM 3532 C C . GLU B 1 221 ? 73.118 27.433 51.846 1.00 12.15 ? 221 GLU B C 1 -ATOM 3533 O O . GLU B 1 221 ? 73.906 26.856 52.599 1.00 12.21 ? 221 GLU B O 1 -ATOM 3534 C CB . GLU B 1 221 ? 71.691 29.336 52.564 1.00 12.72 ? 221 GLU B CB 1 -ATOM 3535 C CG . GLU B 1 221 ? 71.567 28.799 53.982 1.00 14.05 ? 221 GLU B CG 1 -ATOM 3536 C CD . GLU B 1 221 ? 70.142 28.844 54.501 1.00 14.70 ? 221 GLU B CD 1 -ATOM 3537 O OE1 . GLU B 1 221 ? 69.495 29.905 54.387 1.00 15.70 ? 221 GLU B OE1 1 -ATOM 3538 O OE2 . GLU B 1 221 ? 69.666 27.816 55.031 1.00 15.45 ? 221 GLU B OE2 1 -ATOM 3539 N N . LEU B 1 222 ? 72.339 26.789 50.984 1.00 12.06 ? 222 LEU B N 1 -ATOM 3540 C CA . LEU B 1 222 ? 72.337 25.337 50.896 1.00 12.16 ? 222 LEU B CA 1 -ATOM 3541 C C . LEU B 1 222 ? 73.485 24.690 50.135 1.00 12.12 ? 222 LEU B C 1 -ATOM 3542 O O . LEU B 1 222 ? 73.966 23.630 50.534 1.00 12.21 ? 222 LEU B O 1 -ATOM 3543 C CB . LEU B 1 222 ? 71.019 24.849 50.283 1.00 12.39 ? 222 LEU B CB 1 -ATOM 3544 C CG . LEU B 1 222 ? 69.783 24.709 51.173 1.00 12.68 ? 222 LEU B CG 1 -ATOM 3545 C CD1 . LEU B 1 222 ? 69.401 26.051 51.766 1.00 13.07 ? 222 LEU B CD1 1 -ATOM 3546 C CD2 . LEU B 1 222 ? 68.637 24.147 50.349 1.00 12.87 ? 222 LEU B CD2 1 -ATOM 3547 N N . PHE B 1 223 ? 73.938 25.317 49.053 1.00 12.00 ? 223 PHE B N 1 -ATOM 3548 C CA . PHE B 1 223 ? 74.985 24.707 48.238 1.00 12.00 ? 223 PHE B CA 1 -ATOM 3549 C C . PHE B 1 223 ? 76.285 25.481 48.045 1.00 12.12 ? 223 PHE B C 1 -ATOM 3550 O O . PHE B 1 223 ? 77.169 25.027 47.318 1.00 12.38 ? 223 PHE B O 1 -ATOM 3551 C CB . PHE B 1 223 ? 74.402 24.376 46.863 1.00 11.97 ? 223 PHE B CB 1 -ATOM 3552 C CG . PHE B 1 223 ? 73.151 23.546 46.921 1.00 11.90 ? 223 PHE B CG 1 -ATOM 3553 C CD1 . PHE B 1 223 ? 73.185 22.249 47.417 1.00 11.96 ? 223 PHE B CD1 1 -ATOM 3554 C CD2 . PHE B 1 223 ? 71.936 24.067 46.488 1.00 11.91 ? 223 PHE B CD2 1 -ATOM 3555 C CE1 . PHE B 1 223 ? 72.027 21.479 47.481 1.00 12.11 ? 223 PHE B CE1 1 -ATOM 3556 C CE2 . PHE B 1 223 ? 70.771 23.303 46.551 1.00 12.01 ? 223 PHE B CE2 1 -ATOM 3557 C CZ . PHE B 1 223 ? 70.819 22.008 47.048 1.00 11.95 ? 223 PHE B CZ 1 -ATOM 3558 N N . GLY B 1 224 ? 76.414 26.633 48.690 1.00 12.36 ? 224 GLY B N 1 -ATOM 3559 C CA . GLY B 1 224 ? 77.619 27.425 48.520 1.00 12.56 ? 224 GLY B CA 1 -ATOM 3560 C C . GLY B 1 224 ? 77.384 28.453 47.429 1.00 12.85 ? 224 GLY B C 1 -ATOM 3561 O O . GLY B 1 224 ? 76.579 28.225 46.528 1.00 12.82 ? 224 GLY B O 1 -ATOM 3562 N N . ALA B 1 225 ? 78.097 29.572 47.497 1.00 13.11 ? 225 ALA B N 1 -ATOM 3563 C CA . ALA B 1 225 ? 77.939 30.658 46.534 1.00 13.44 ? 225 ALA B CA 1 -ATOM 3564 C C . ALA B 1 225 ? 78.286 30.368 45.073 1.00 13.59 ? 225 ALA B C 1 -ATOM 3565 O O . ALA B 1 225 ? 77.899 31.136 44.193 1.00 13.85 ? 225 ALA B O 1 -ATOM 3566 C CB . ALA B 1 225 ? 78.723 31.873 47.012 1.00 13.77 ? 225 ALA B CB 1 -ATOM 3567 N N . ASP B 1 226 ? 79.002 29.281 44.801 1.00 13.59 ? 226 ASP B N 1 -ATOM 3568 C CA . ASP B 1 226 ? 79.381 28.967 43.421 1.00 13.65 ? 226 ASP B CA 1 -ATOM 3569 C C . ASP B 1 226 ? 78.467 27.974 42.710 1.00 13.11 ? 226 ASP B C 1 -ATOM 3570 O O . ASP B 1 226 ? 78.607 27.750 41.506 1.00 13.40 ? 226 ASP B O 1 -ATOM 3571 C CB . ASP B 1 226 ? 80.815 28.426 43.371 1.00 14.70 ? 226 ASP B CB 1 -ATOM 3572 C CG . ASP B 1 226 ? 81.835 29.427 43.871 1.00 15.51 ? 226 ASP B CG 1 -ATOM 3573 O OD1 . ASP B 1 226 ? 81.851 30.568 43.361 1.00 16.46 ? 226 ASP B OD1 1 -ATOM 3574 O OD2 . ASP B 1 226 ? 82.628 29.068 44.767 1.00 16.84 ? 226 ASP B OD2 1 -ATOM 3575 N N . TRP B 1 227 ? 77.525 27.394 43.441 1.00 12.39 ? 227 TRP B N 1 -ATOM 3576 C CA . TRP B 1 227 ? 76.622 26.400 42.871 1.00 11.62 ? 227 TRP B CA 1 -ATOM 3577 C C . TRP B 1 227 ? 75.645 26.899 41.804 1.00 11.33 ? 227 TRP B C 1 -ATOM 3578 O O . TRP B 1 227 ? 75.480 26.266 40.760 1.00 11.27 ? 227 TRP B O 1 -ATOM 3579 C CB . TRP B 1 227 ? 75.814 25.736 43.986 1.00 11.16 ? 227 TRP B CB 1 -ATOM 3580 C CG . TRP B 1 227 ? 74.942 24.619 43.504 1.00 10.84 ? 227 TRP B CG 1 -ATOM 3581 C CD1 . TRP B 1 227 ? 75.337 23.350 43.192 1.00 10.68 ? 227 TRP B CD1 1 -ATOM 3582 C CD2 . TRP B 1 227 ? 73.531 24.672 43.262 1.00 10.65 ? 227 TRP B CD2 1 -ATOM 3583 N NE1 . TRP B 1 227 ? 74.260 22.608 42.774 1.00 10.80 ? 227 TRP B NE1 1 -ATOM 3584 C CE2 . TRP B 1 227 ? 73.138 23.394 42.806 1.00 10.52 ? 227 TRP B CE2 1 -ATOM 3585 C CE3 . TRP B 1 227 ? 72.561 25.674 43.385 1.00 10.52 ? 227 TRP B CE3 1 -ATOM 3586 C CZ2 . TRP B 1 227 ? 71.812 23.090 42.473 1.00 10.47 ? 227 TRP B CZ2 1 -ATOM 3587 C CZ3 . TRP B 1 227 ? 71.240 25.372 43.053 1.00 10.53 ? 227 TRP B CZ3 1 -ATOM 3588 C CH2 . TRP B 1 227 ? 70.880 24.090 42.603 1.00 10.47 ? 227 TRP B CH2 1 -ATOM 3589 N N . ALA B 1 228 ? 75.006 28.033 42.066 1.00 10.93 ? 228 ALA B N 1 -ATOM 3590 C CA . ALA B 1 228 ? 73.998 28.574 41.159 1.00 10.79 ? 228 ALA B CA 1 -ATOM 3591 C C . ALA B 1 228 ? 74.432 29.138 39.809 1.00 10.62 ? 228 ALA B C 1 -ATOM 3592 O O . ALA B 1 228 ? 74.253 30.329 39.549 1.00 10.94 ? 228 ALA B O 1 -ATOM 3593 C CB . ALA B 1 228 ? 73.160 29.613 41.899 1.00 10.50 ? 228 ALA B CB 1 -ATOM 3594 N N . ASP B 1 229 ? 74.990 28.285 38.953 1.00 10.55 ? 229 ASP B N 1 -ATOM 3595 C CA . ASP B 1 229 ? 75.383 28.702 37.610 1.00 10.25 ? 229 ASP B CA 1 -ATOM 3596 C C . ASP B 1 229 ? 74.217 28.359 36.678 1.00 9.96 ? 229 ASP B C 1 -ATOM 3597 O O . ASP B 1 229 ? 73.200 27.829 37.127 1.00 9.54 ? 229 ASP B O 1 -ATOM 3598 C CB . ASP B 1 229 ? 76.662 27.987 37.151 1.00 10.99 ? 229 ASP B CB 1 -ATOM 3599 C CG . ASP B 1 229 ? 76.582 26.485 37.299 1.00 11.55 ? 229 ASP B CG 1 -ATOM 3600 O OD1 . ASP B 1 229 ? 75.496 25.916 37.071 1.00 12.18 ? 229 ASP B OD1 1 -ATOM 3601 O OD2 . ASP B 1 229 ? 77.618 25.870 37.631 1.00 12.63 ? 229 ASP B OD2 1 -ATOM 3602 N N . ALA B 1 230 ? 74.364 28.646 35.389 1.00 9.38 ? 230 ALA B N 1 -ATOM 3603 C CA . ALA B 1 230 ? 73.297 28.394 34.417 1.00 9.03 ? 230 ALA B CA 1 -ATOM 3604 C C . ALA B 1 230 ? 72.774 26.959 34.355 1.00 8.75 ? 230 ALA B C 1 -ATOM 3605 O O . ALA B 1 230 ? 71.599 26.736 34.063 1.00 8.59 ? 230 ALA B O 1 -ATOM 3606 C CB . ALA B 1 230 ? 73.751 28.831 33.035 1.00 9.26 ? 230 ALA B CB 1 -ATOM 3607 N N . ARG B 1 231 ? 73.635 25.984 34.616 1.00 8.41 ? 231 ARG B N 1 -ATOM 3608 C CA . ARG B 1 231 ? 73.208 24.589 34.576 1.00 8.28 ? 231 ARG B CA 1 -ATOM 3609 C C . ARG B 1 231 ? 72.420 24.181 35.821 1.00 8.10 ? 231 ARG B C 1 -ATOM 3610 O O . ARG B 1 231 ? 71.699 23.185 35.808 1.00 8.22 ? 231 ARG B O 1 -ATOM 3611 C CB . ARG B 1 231 ? 74.429 23.673 34.415 1.00 8.62 ? 231 ARG B CB 1 -ATOM 3612 C CG . ARG B 1 231 ? 74.132 22.179 34.559 1.00 8.59 ? 231 ARG B CG 1 -ATOM 3613 C CD . ARG B 1 231 ? 73.192 21.665 33.474 1.00 8.93 ? 231 ARG B CD 1 -ATOM 3614 N NE . ARG B 1 231 ? 72.874 20.248 33.648 1.00 9.28 ? 231 ARG B NE 1 -ATOM 3615 C CZ . ARG B 1 231 ? 71.973 19.769 34.503 1.00 9.23 ? 231 ARG B CZ 1 -ATOM 3616 N NH1 . ARG B 1 231 ? 71.277 20.590 35.279 1.00 8.96 ? 231 ARG B NH1 1 -ATOM 3617 N NH2 . ARG B 1 231 ? 71.768 18.460 34.587 1.00 9.20 ? 231 ARG B NH2 1 -ATOM 3618 N N . HIS B 1 232 ? 72.531 24.965 36.888 1.00 7.80 ? 232 HIS B N 1 -ATOM 3619 C CA . HIS B 1 232 ? 71.850 24.620 38.131 1.00 7.55 ? 232 HIS B CA 1 -ATOM 3620 C C . HIS B 1 232 ? 70.820 25.609 38.647 1.00 7.26 ? 232 HIS B C 1 -ATOM 3621 O O . HIS B 1 232 ? 70.159 25.343 39.652 1.00 7.05 ? 232 HIS B O 1 -ATOM 3622 C CB . HIS B 1 232 ? 72.896 24.376 39.215 1.00 8.03 ? 232 HIS B CB 1 -ATOM 3623 C CG . HIS B 1 232 ? 73.876 23.305 38.860 1.00 8.69 ? 232 HIS B CG 1 -ATOM 3624 N ND1 . HIS B 1 232 ? 73.665 21.974 39.152 1.00 9.50 ? 232 HIS B ND1 1 -ATOM 3625 C CD2 . HIS B 1 232 ? 75.035 23.358 38.163 1.00 8.80 ? 232 HIS B CD2 1 -ATOM 3626 C CE1 . HIS B 1 232 ? 74.652 21.256 38.649 1.00 8.84 ? 232 HIS B CE1 1 -ATOM 3627 N NE2 . HIS B 1 232 ? 75.495 22.071 38.042 1.00 9.61 ? 232 HIS B NE2 1 -ATOM 3628 N N . TYR B 1 233 ? 70.667 26.743 37.976 1.00 6.91 ? 233 TYR B N 1 -ATOM 3629 C CA . TYR B 1 233 ? 69.705 27.722 38.449 1.00 6.79 ? 233 TYR B CA 1 -ATOM 3630 C C . TYR B 1 233 ? 69.203 28.623 37.334 1.00 6.46 ? 233 TYR B C 1 -ATOM 3631 O O . TYR B 1 233 ? 69.983 29.077 36.500 1.00 6.63 ? 233 TYR B O 1 -ATOM 3632 C CB . TYR B 1 233 ? 70.342 28.577 39.555 1.00 6.99 ? 233 TYR B CB 1 -ATOM 3633 C CG . TYR B 1 233 ? 69.337 29.179 40.507 1.00 7.20 ? 233 TYR B CG 1 -ATOM 3634 C CD1 . TYR B 1 233 ? 68.536 30.257 40.128 1.00 7.59 ? 233 TYR B CD1 1 -ATOM 3635 C CD2 . TYR B 1 233 ? 69.137 28.621 41.770 1.00 7.57 ? 233 TYR B CD2 1 -ATOM 3636 C CE1 . TYR B 1 233 ? 67.555 30.759 40.984 1.00 7.92 ? 233 TYR B CE1 1 -ATOM 3637 C CE2 . TYR B 1 233 ? 68.164 29.113 42.629 1.00 8.06 ? 233 TYR B CE2 1 -ATOM 3638 C CZ . TYR B 1 233 ? 67.374 30.177 42.229 1.00 8.25 ? 233 TYR B CZ 1 -ATOM 3639 O OH . TYR B 1 233 ? 66.382 30.625 43.067 1.00 9.00 ? 233 TYR B OH 1 -ATOM 3640 N N . ARG B 1 234 ? 67.894 28.861 37.316 1.00 6.23 ? 234 ARG B N 1 -ATOM 3641 C CA . ARG B 1 234 ? 67.272 29.748 36.334 1.00 6.12 ? 234 ARG B CA 1 -ATOM 3642 C C . ARG B 1 234 ? 66.091 30.461 36.967 1.00 6.23 ? 234 ARG B C 1 -ATOM 3643 O O . ARG B 1 234 ? 65.456 29.942 37.882 1.00 6.33 ? 234 ARG B O 1 -ATOM 3644 C CB . ARG B 1 234 ? 66.732 28.980 35.127 1.00 5.92 ? 234 ARG B CB 1 -ATOM 3645 C CG . ARG B 1 234 ? 67.739 28.185 34.345 1.00 5.61 ? 234 ARG B CG 1 -ATOM 3646 C CD . ARG B 1 234 ? 68.727 29.025 33.552 1.00 5.94 ? 234 ARG B CD 1 -ATOM 3647 N NE . ARG B 1 234 ? 69.606 28.092 32.860 1.00 5.67 ? 234 ARG B NE 1 -ATOM 3648 C CZ . ARG B 1 234 ? 69.272 27.422 31.761 1.00 6.01 ? 234 ARG B CZ 1 -ATOM 3649 N NH1 . ARG B 1 234 ? 68.086 27.604 31.191 1.00 5.86 ? 234 ARG B NH1 1 -ATOM 3650 N NH2 . ARG B 1 234 ? 70.086 26.490 31.291 1.00 6.23 ? 234 ARG B NH2 1 -ATOM 3651 N N . PHE B 1 235 ? 65.803 31.656 36.471 1.00 6.47 ? 235 PHE B N 1 -ATOM 3652 C CA . PHE B 1 235 ? 64.656 32.416 36.938 1.00 6.55 ? 235 PHE B CA 1 -ATOM 3653 C C . PHE B 1 235 ? 63.627 32.416 35.814 1.00 6.67 ? 235 PHE B C 1 -ATOM 3654 O O . PHE B 1 235 ? 63.902 32.913 34.722 1.00 6.77 ? 235 PHE B O 1 -ATOM 3655 C CB . PHE B 1 235 ? 65.048 33.860 37.257 1.00 6.59 ? 235 PHE B CB 1 -ATOM 3656 C CG . PHE B 1 235 ? 65.607 34.046 38.636 1.00 6.57 ? 235 PHE B CG 1 -ATOM 3657 C CD1 . PHE B 1 235 ? 64.776 33.977 39.752 1.00 6.87 ? 235 PHE B CD1 1 -ATOM 3658 C CD2 . PHE B 1 235 ? 66.962 34.277 38.823 1.00 6.76 ? 235 PHE B CD2 1 -ATOM 3659 C CE1 . PHE B 1 235 ? 65.291 34.138 41.038 1.00 6.97 ? 235 PHE B CE1 1 -ATOM 3660 C CE2 . PHE B 1 235 ? 67.490 34.439 40.107 1.00 6.97 ? 235 PHE B CE2 1 -ATOM 3661 C CZ . PHE B 1 235 ? 66.653 34.370 41.214 1.00 6.87 ? 235 PHE B CZ 1 -ATOM 3662 N N . GLY B 1 236 ? 62.461 31.830 36.071 1.00 6.84 ? 236 GLY B N 1 -ATOM 3663 C CA . GLY B 1 236 ? 61.406 31.827 35.072 1.00 7.22 ? 236 GLY B CA 1 -ATOM 3664 C C . GLY B 1 236 ? 60.664 33.125 35.312 1.00 7.50 ? 236 GLY B C 1 -ATOM 3665 O O . GLY B 1 236 ? 59.853 33.218 36.235 1.00 7.51 ? 236 GLY B O 1 -ATOM 3666 N N . ALA B 1 237 ? 60.942 34.135 34.495 1.00 7.70 ? 237 ALA B N 1 -ATOM 3667 C CA . ALA B 1 237 ? 60.320 35.436 34.693 1.00 7.96 ? 237 ALA B CA 1 -ATOM 3668 C C . ALA B 1 237 ? 60.308 36.312 33.447 1.00 8.33 ? 237 ALA B C 1 -ATOM 3669 O O . ALA B 1 237 ? 60.886 35.967 32.417 1.00 7.62 ? 237 ALA B O 1 -ATOM 3670 C CB . ALA B 1 237 ? 61.031 36.161 35.827 1.00 8.16 ? 237 ALA B CB 1 -ATOM 3671 N N . SER B 1 238 ? 59.654 37.463 33.567 1.00 8.82 ? 238 SER B N 1 -ATOM 3672 C CA . SER B 1 238 ? 59.533 38.408 32.468 1.00 9.58 ? 238 SER B CA 1 -ATOM 3673 C C . SER B 1 238 ? 59.847 39.835 32.911 1.00 9.82 ? 238 SER B C 1 -ATOM 3674 O O . SER B 1 238 ? 60.942 40.339 32.658 1.00 10.22 ? 238 SER B O 1 -ATOM 3675 C CB . SER B 1 238 ? 58.118 38.342 31.884 1.00 9.76 ? 238 SER B CB 1 -ATOM 3676 O OG . SER B 1 238 ? 57.131 38.534 32.890 1.00 10.53 ? 238 SER B OG 1 -ATOM 3677 N N . SER B 1 239 ? 58.893 40.477 33.581 1.00 10.30 ? 239 SER B N 1 -ATOM 3678 C CA . SER B 1 239 ? 59.075 41.852 34.038 1.00 10.75 ? 239 SER B CA 1 -ATOM 3679 C C . SER B 1 239 ? 60.241 41.985 35.011 1.00 10.51 ? 239 SER B C 1 -ATOM 3680 O O . SER B 1 239 ? 60.717 43.090 35.269 1.00 10.74 ? 239 SER B O 1 -ATOM 3681 C CB . SER B 1 239 ? 57.790 42.379 34.687 1.00 11.30 ? 239 SER B CB 1 -ATOM 3682 O OG . SER B 1 239 ? 57.482 41.673 35.871 1.00 12.93 ? 239 SER B OG 1 -ATOM 3683 N N . LEU B 1 240 ? 60.693 40.858 35.554 1.00 10.24 ? 240 LEU B N 1 -ATOM 3684 C CA . LEU B 1 240 ? 61.822 40.858 36.477 1.00 9.81 ? 240 LEU B CA 1 -ATOM 3685 C C . LEU B 1 240 ? 63.034 41.528 35.835 1.00 10.05 ? 240 LEU B C 1 -ATOM 3686 O O . LEU B 1 240 ? 63.783 42.241 36.501 1.00 9.87 ? 240 LEU B O 1 -ATOM 3687 C CB . LEU B 1 240 ? 62.194 39.423 36.870 1.00 9.33 ? 240 LEU B CB 1 -ATOM 3688 C CG . LEU B 1 240 ? 63.474 39.261 37.703 1.00 8.87 ? 240 LEU B CG 1 -ATOM 3689 C CD1 . LEU B 1 240 ? 63.323 39.953 39.057 1.00 8.88 ? 240 LEU B CD1 1 -ATOM 3690 C CD2 . LEU B 1 240 ? 63.766 37.784 37.892 1.00 8.94 ? 240 LEU B CD2 1 -ATOM 3691 N N . LEU B 1 241 ? 63.226 41.298 34.540 1.00 10.30 ? 241 LEU B N 1 -ATOM 3692 C CA . LEU B 1 241 ? 64.362 41.871 33.829 1.00 10.72 ? 241 LEU B CA 1 -ATOM 3693 C C . LEU B 1 241 ? 64.433 43.387 33.985 1.00 10.95 ? 241 LEU B C 1 -ATOM 3694 O O . LEU B 1 241 ? 65.498 43.941 34.264 1.00 10.89 ? 241 LEU B O 1 -ATOM 3695 C CB . LEU B 1 241 ? 64.300 41.498 32.346 1.00 10.94 ? 241 LEU B CB 1 -ATOM 3696 C CG . LEU B 1 241 ? 65.464 41.995 31.486 1.00 11.25 ? 241 LEU B CG 1 -ATOM 3697 C CD1 . LEU B 1 241 ? 66.779 41.465 32.038 1.00 11.50 ? 241 LEU B CD1 1 -ATOM 3698 C CD2 . LEU B 1 241 ? 65.264 41.544 30.047 1.00 11.53 ? 241 LEU B CD2 1 -ATOM 3699 N N . ALA B 1 242 ? 63.298 44.058 33.814 1.00 11.10 ? 242 ALA B N 1 -ATOM 3700 C CA . ALA B 1 242 ? 63.260 45.510 33.942 1.00 11.35 ? 242 ALA B CA 1 -ATOM 3701 C C . ALA B 1 242 ? 63.671 45.936 35.350 1.00 11.51 ? 242 ALA B C 1 -ATOM 3702 O O . ALA B 1 242 ? 64.370 46.937 35.527 1.00 11.79 ? 242 ALA B O 1 -ATOM 3703 C CB . ALA B 1 242 ? 61.863 46.028 33.620 1.00 11.42 ? 242 ALA B CB 1 -ATOM 3704 N N . SER B 1 243 ? 63.241 45.172 36.350 1.00 11.54 ? 243 SER B N 1 -ATOM 3705 C CA . SER B 1 243 ? 63.568 45.478 37.737 1.00 11.52 ? 243 SER B CA 1 -ATOM 3706 C C . SER B 1 243 ? 65.057 45.296 38.000 1.00 11.53 ? 243 SER B C 1 -ATOM 3707 O O . SER B 1 243 ? 65.680 46.099 38.697 1.00 11.43 ? 243 SER B O 1 -ATOM 3708 C CB . SER B 1 243 ? 62.765 44.581 38.682 1.00 11.58 ? 243 SER B CB 1 -ATOM 3709 O OG . SER B 1 243 ? 63.026 44.905 40.037 1.00 11.87 ? 243 SER B OG 1 -ATOM 3710 N N . LEU B 1 244 ? 65.629 44.235 37.446 1.00 11.38 ? 244 LEU B N 1 -ATOM 3711 C CA . LEU B 1 244 ? 67.048 43.971 37.623 1.00 11.54 ? 244 LEU B CA 1 -ATOM 3712 C C . LEU B 1 244 ? 67.864 45.069 36.945 1.00 11.97 ? 244 LEU B C 1 -ATOM 3713 O O . LEU B 1 244 ? 68.811 45.600 37.529 1.00 11.71 ? 244 LEU B O 1 -ATOM 3714 C CB . LEU B 1 244 ? 67.410 42.603 37.041 1.00 11.01 ? 244 LEU B CB 1 -ATOM 3715 C CG . LEU B 1 244 ? 66.778 41.393 37.737 1.00 10.71 ? 244 LEU B CG 1 -ATOM 3716 C CD1 . LEU B 1 244 ? 67.119 40.135 36.964 1.00 10.44 ? 244 LEU B CD1 1 -ATOM 3717 C CD2 . LEU B 1 244 ? 67.277 41.292 39.174 1.00 10.52 ? 244 LEU B CD2 1 -ATOM 3718 N N . LEU B 1 245 ? 67.490 45.419 35.720 1.00 12.47 ? 245 LEU B N 1 -ATOM 3719 C CA . LEU B 1 245 ? 68.205 46.460 34.994 1.00 13.32 ? 245 LEU B CA 1 -ATOM 3720 C C . LEU B 1 245 ? 68.130 47.790 35.734 1.00 13.88 ? 245 LEU B C 1 -ATOM 3721 O O . LEU B 1 245 ? 69.107 48.537 35.775 1.00 14.05 ? 245 LEU B O 1 -ATOM 3722 C CB . LEU B 1 245 ? 67.642 46.604 33.579 1.00 13.30 ? 245 LEU B CB 1 -ATOM 3723 C CG . LEU B 1 245 ? 68.040 45.479 32.619 1.00 13.24 ? 245 LEU B CG 1 -ATOM 3724 C CD1 . LEU B 1 245 ? 67.260 45.601 31.322 1.00 13.33 ? 245 LEU B CD1 1 -ATOM 3725 C CD2 . LEU B 1 245 ? 69.540 45.544 32.354 1.00 13.24 ? 245 LEU B CD2 1 -ATOM 3726 N N . LYS B 1 246 ? 66.979 48.082 36.332 1.00 14.59 ? 246 LYS B N 1 -ATOM 3727 C CA . LYS B 1 246 ? 66.822 49.333 37.065 1.00 15.32 ? 246 LYS B CA 1 -ATOM 3728 C C . LYS B 1 246 ? 67.758 49.373 38.267 1.00 15.64 ? 246 LYS B C 1 -ATOM 3729 O O . LYS B 1 246 ? 68.375 50.400 38.545 1.00 15.71 ? 246 LYS B O 1 -ATOM 3730 C CB . LYS B 1 246 ? 65.373 49.511 37.529 1.00 15.92 ? 246 LYS B CB 1 -ATOM 3731 C CG . LYS B 1 246 ? 65.118 50.836 38.240 1.00 16.62 ? 246 LYS B CG 1 -ATOM 3732 C CD . LYS B 1 246 ? 63.642 51.046 38.530 1.00 17.48 ? 246 LYS B CD 1 -ATOM 3733 C CE . LYS B 1 246 ? 63.085 49.956 39.430 1.00 18.01 ? 246 LYS B CE 1 -ATOM 3734 N NZ . LYS B 1 246 ? 61.637 50.157 39.715 1.00 18.70 ? 246 LYS B NZ 1 -ATOM 3735 N N . ALA B 1 247 ? 67.866 48.252 38.975 1.00 15.93 ? 247 ALA B N 1 -ATOM 3736 C CA . ALA B 1 247 ? 68.734 48.170 40.145 1.00 16.40 ? 247 ALA B CA 1 -ATOM 3737 C C . ALA B 1 247 ? 70.192 48.370 39.738 1.00 16.80 ? 247 ALA B C 1 -ATOM 3738 O O . ALA B 1 247 ? 71.029 48.747 40.557 1.00 16.88 ? 247 ALA B O 1 -ATOM 3739 C CB . ALA B 1 247 ? 68.560 46.816 40.834 1.00 16.31 ? 247 ALA B CB 1 -ATOM 3740 N N . LEU B 1 248 ? 70.483 48.121 38.464 1.00 17.28 ? 248 LEU B N 1 -ATOM 3741 C CA . LEU B 1 248 ? 71.834 48.264 37.931 1.00 17.84 ? 248 LEU B CA 1 -ATOM 3742 C C . LEU B 1 248 ? 72.035 49.607 37.233 1.00 18.29 ? 248 LEU B C 1 -ATOM 3743 O O . LEU B 1 248 ? 73.097 49.867 36.663 1.00 18.59 ? 248 LEU B O 1 -ATOM 3744 C CB . LEU B 1 248 ? 72.137 47.119 36.958 1.00 17.67 ? 248 LEU B CB 1 -ATOM 3745 C CG . LEU B 1 248 ? 72.381 45.732 37.563 1.00 17.77 ? 248 LEU B CG 1 -ATOM 3746 C CD1 . LEU B 1 248 ? 71.366 45.439 38.645 1.00 17.97 ? 248 LEU B CD1 1 -ATOM 3747 C CD2 . LEU B 1 248 ? 72.319 44.684 36.466 1.00 17.61 ? 248 LEU B CD2 1 -ATOM 3748 N N . GLY B 1 249 ? 71.008 50.450 37.271 1.00 18.82 ? 249 GLY B N 1 -ATOM 3749 C CA . GLY B 1 249 ? 71.101 51.762 36.656 1.00 19.46 ? 249 GLY B CA 1 -ATOM 3750 C C . GLY B 1 249 ? 70.862 51.800 35.159 1.00 19.88 ? 249 GLY B C 1 -ATOM 3751 O O . GLY B 1 249 ? 71.446 52.628 34.456 1.00 20.09 ? 249 GLY B O 1 -ATOM 3752 N N . HIS B 1 250 ? 70.002 50.913 34.669 1.00 20.26 ? 250 HIS B N 1 -ATOM 3753 C CA . HIS B 1 250 ? 69.685 50.857 33.245 1.00 20.55 ? 250 HIS B CA 1 -ATOM 3754 C C . HIS B 1 250 ? 68.180 50.857 33.008 1.00 20.75 ? 250 HIS B C 1 -ATOM 3755 O O . HIS B 1 250 ? 67.426 50.623 33.976 1.00 20.88 ? 250 HIS B O 1 -ATOM 3756 C CB . HIS B 1 250 ? 70.293 49.601 32.620 1.00 20.69 ? 250 HIS B CB 1 -ATOM 3757 C CG . HIS B 1 250 ? 71.777 49.669 32.442 1.00 20.76 ? 250 HIS B CG 1 -ATOM 3758 N ND1 . HIS B 1 250 ? 72.373 50.396 31.433 1.00 20.92 ? 250 HIS B ND1 1 -ATOM 3759 C CD2 . HIS B 1 250 ? 72.786 49.099 33.141 1.00 20.86 ? 250 HIS B CD2 1 -ATOM 3760 C CE1 . HIS B 1 250 ? 73.684 50.268 31.517 1.00 20.91 ? 250 HIS B CE1 1 -ATOM 3761 N NE2 . HIS B 1 250 ? 73.961 49.486 32.545 1.00 21.04 ? 250 HIS B NE2 1 -ATOM 3762 O OXT . HIS B 1 250 ? 67.773 51.074 31.846 1.00 21.14 ? 250 HIS B OXT 1 -HETATM 3763 O O . HOH C 2 . ? 50.776 25.390 16.913 1.00 3.19 ? 401 HOH A O 1 -HETATM 3764 O O . HOH C 2 . ? 60.207 30.154 6.348 1.00 5.38 ? 402 HOH A O 1 -HETATM 3765 O O . HOH C 2 . ? 44.833 33.359 -1.695 1.00 5.95 ? 407 HOH A O 1 -HETATM 3766 O O . HOH C 2 . ? 43.572 25.328 15.367 1.00 6.26 ? 409 HOH A O 1 -HETATM 3767 O O . HOH C 2 . ? 53.645 28.023 10.661 1.00 6.73 ? 410 HOH A O 1 -HETATM 3768 O O . HOH C 2 . ? 49.926 34.719 3.095 1.00 6.12 ? 415 HOH A O 1 -HETATM 3769 O O . HOH C 2 . ? 53.837 15.912 -7.172 1.00 6.60 ? 419 HOH A O 1 -HETATM 3770 O O . HOH C 2 . ? 52.280 26.044 12.092 1.00 8.39 ? 420 HOH A O 1 -HETATM 3771 O O . HOH C 2 . ? 53.211 30.153 11.695 1.00 4.93 ? 421 HOH A O 1 -HETATM 3772 O O . HOH C 2 . ? 48.380 11.063 -13.427 1.00 7.84 ? 422 HOH A O 1 -HETATM 3773 O O . HOH C 2 . ? 65.222 38.891 -8.785 1.00 7.25 ? 424 HOH A O 1 -HETATM 3774 O O . HOH C 2 . ? 60.173 32.111 8.415 1.00 8.81 ? 426 HOH A O 1 -HETATM 3775 O O . HOH C 2 . ? 58.637 33.961 -0.018 1.00 6.47 ? 427 HOH A O 1 -HETATM 3776 O O . HOH C 2 . ? 43.633 10.560 1.655 1.00 11.86 ? 429 HOH A O 1 -HETATM 3777 O O . HOH C 2 . ? 42.351 33.330 -5.918 1.00 9.54 ? 430 HOH A O 1 -HETATM 3778 O O . HOH C 2 . ? 52.039 12.655 -4.940 1.00 8.10 ? 431 HOH A O 1 -HETATM 3779 O O . HOH C 2 . ? 41.968 10.282 13.643 1.00 8.65 ? 434 HOH A O 1 -HETATM 3780 O O . HOH C 2 . ? 59.428 14.622 13.134 1.00 9.56 ? 435 HOH A O 1 -HETATM 3781 O O . HOH C 2 . ? 41.728 23.858 5.464 1.00 8.45 ? 439 HOH A O 1 -HETATM 3782 O O . HOH C 2 . ? 57.599 39.723 -3.871 1.00 9.04 ? 440 HOH A O 1 -HETATM 3783 O O . HOH C 2 . ? 54.608 13.531 -5.749 1.00 10.46 ? 443 HOH A O 1 -HETATM 3784 O O . HOH C 2 . ? 35.629 14.556 -10.080 1.00 10.58 ? 444 HOH A O 1 -HETATM 3785 O O . HOH C 2 . ? 53.144 13.933 -9.082 1.00 13.65 ? 448 HOH A O 1 -HETATM 3786 O O . HOH C 2 . ? 48.493 15.696 -19.641 1.00 9.69 ? 449 HOH A O 1 -HETATM 3787 O O . HOH C 2 . ? 63.975 17.062 4.219 1.00 9.77 ? 450 HOH A O 1 -HETATM 3788 O O . HOH C 2 . ? 52.703 12.128 11.958 1.00 7.55 ? 451 HOH A O 1 -HETATM 3789 O O . HOH C 2 . ? 28.724 10.559 11.330 1.00 10.75 ? 452 HOH A O 1 -HETATM 3790 O O . HOH C 2 . ? 52.879 21.664 22.234 1.00 9.28 ? 453 HOH A O 1 -HETATM 3791 O O . HOH C 2 . ? 65.400 22.669 9.848 1.00 11.13 ? 455 HOH A O 1 -HETATM 3792 O O . HOH C 2 . ? 32.743 12.742 -1.213 1.00 10.89 ? 459 HOH A O 1 -HETATM 3793 O O . HOH C 2 . ? 61.192 15.112 -1.498 1.00 13.02 ? 461 HOH A O 1 -HETATM 3794 O O . HOH C 2 . ? 51.033 11.301 -11.744 1.00 12.25 ? 462 HOH A O 1 -HETATM 3795 O O . HOH C 2 . ? 41.639 9.359 16.350 1.00 9.20 ? 463 HOH A O 1 -HETATM 3796 O O . HOH C 2 . ? 54.050 12.627 1.281 1.00 8.99 ? 466 HOH A O 1 -HETATM 3797 O O . HOH C 2 . ? 66.680 29.830 10.038 1.00 12.27 ? 467 HOH A O 1 -HETATM 3798 O O . HOH C 2 . ? 26.500 12.588 -2.849 1.00 11.15 ? 472 HOH A O 1 -HETATM 3799 O O . HOH C 2 . ? 55.475 34.516 0.507 1.00 6.38 ? 474 HOH A O 1 -HETATM 3800 O O . HOH C 2 . ? 48.612 10.669 16.353 1.00 12.49 ? 479 HOH A O 1 -HETATM 3801 O O . HOH C 2 . ? 48.322 10.609 5.655 1.00 13.93 ? 480 HOH A O 1 -HETATM 3802 O O . HOH C 2 . ? 66.759 27.547 -2.549 1.00 13.73 ? 481 HOH A O 1 -HETATM 3803 O O . HOH C 2 . ? 48.973 12.708 18.127 1.00 14.28 ? 482 HOH A O 1 -HETATM 3804 O O . HOH C 2 . ? 26.981 21.450 -2.754 1.00 10.87 ? 484 HOH A O 1 -HETATM 3805 O O . HOH C 2 . ? 22.220 25.702 2.147 1.00 17.93 ? 486 HOH A O 1 -HETATM 3806 O O . HOH C 2 . ? 36.755 28.331 3.058 1.00 10.42 ? 487 HOH A O 1 -HETATM 3807 O O . HOH C 2 . ? 58.237 13.249 -4.058 1.00 12.22 ? 488 HOH A O 1 -HETATM 3808 O O . HOH C 2 . ? 26.342 8.998 4.106 1.00 12.67 ? 489 HOH A O 1 -HETATM 3809 O O . HOH C 2 . ? 46.285 11.604 21.504 1.00 11.30 ? 493 HOH A O 1 -HETATM 3810 O O . HOH C 2 . ? 33.675 27.981 5.141 1.00 12.92 ? 494 HOH A O 1 -HETATM 3811 O O . HOH C 2 . ? 36.663 10.476 7.228 1.00 16.34 ? 495 HOH A O 1 -HETATM 3812 O O . HOH C 2 . ? 52.801 10.633 -1.821 1.00 12.30 ? 497 HOH A O 1 -HETATM 3813 O O . HOH C 2 . ? 59.471 30.271 -5.017 1.00 14.10 ? 500 HOH A O 1 -HETATM 3814 O O . HOH C 2 . ? 47.275 26.718 22.809 1.00 17.09 ? 501 HOH A O 1 -HETATM 3815 O O . HOH C 2 . ? 53.589 30.219 -16.046 1.00 12.53 ? 502 HOH A O 1 -HETATM 3816 O O . HOH C 2 . ? 60.033 15.439 -3.948 1.00 11.03 ? 503 HOH A O 1 -HETATM 3817 O O . HOH C 2 . ? 49.046 29.420 15.871 1.00 12.13 ? 507 HOH A O 1 -HETATM 3818 O O . HOH C 2 . ? 55.721 30.393 11.556 1.00 12.87 ? 509 HOH A O 1 -HETATM 3819 O O . HOH C 2 . ? 36.366 9.717 -0.989 1.00 14.45 ? 510 HOH A O 1 -HETATM 3820 O O . HOH C 2 . ? 50.565 9.437 -2.681 1.00 14.78 ? 511 HOH A O 1 -HETATM 3821 O O . HOH C 2 . ? 65.021 30.925 -9.686 1.00 15.62 ? 512 HOH A O 1 -HETATM 3822 O O . HOH C 2 . ? 40.531 9.507 -8.069 1.00 12.66 ? 515 HOH A O 1 -HETATM 3823 O O . HOH C 2 . ? 58.850 30.023 13.209 1.00 13.55 ? 517 HOH A O 1 -HETATM 3824 O O . HOH C 2 . ? 30.835 19.395 -14.557 1.00 16.12 ? 520 HOH A O 1 -HETATM 3825 O O . HOH C 2 . ? 31.744 25.313 -12.101 1.00 16.07 ? 523 HOH A O 1 -HETATM 3826 O O . HOH C 2 . ? 44.459 38.378 -1.491 1.00 18.54 ? 525 HOH A O 1 -HETATM 3827 O O . HOH C 2 . ? 45.183 32.555 13.383 1.00 17.06 ? 526 HOH A O 1 -HETATM 3828 O O . HOH C 2 . ? 44.329 14.053 28.648 1.00 14.60 ? 530 HOH A O 1 -HETATM 3829 O O . HOH C 2 . ? 35.818 26.684 12.600 1.00 14.24 ? 531 HOH A O 1 -HETATM 3830 O O . HOH C 2 . ? 35.087 25.087 17.274 1.00 17.80 ? 533 HOH A O 1 -HETATM 3831 O O . HOH C 2 . ? 61.522 10.615 2.266 1.00 10.53 ? 535 HOH A O 1 -HETATM 3832 O O . HOH C 2 . ? 40.373 34.848 -9.576 1.00 16.35 ? 536 HOH A O 1 -HETATM 3833 O O . HOH C 2 . ? 36.310 33.371 -10.355 1.00 12.28 ? 537 HOH A O 1 -HETATM 3834 O O . HOH C 2 . ? 34.577 11.579 4.660 1.00 11.98 ? 538 HOH A O 1 -HETATM 3835 O O . HOH C 2 . ? 28.868 19.603 -8.558 1.00 13.62 ? 539 HOH A O 1 -HETATM 3836 O O . HOH C 2 . ? 46.267 30.366 17.374 1.00 15.42 ? 540 HOH A O 1 -HETATM 3837 O O . HOH C 2 . ? 62.779 14.640 8.605 1.00 13.37 ? 542 HOH A O 1 -HETATM 3838 O O . HOH C 2 . ? 64.387 34.806 -2.612 1.00 14.34 ? 544 HOH A O 1 -HETATM 3839 O O . HOH C 2 . ? 48.630 24.666 -17.515 1.00 17.01 ? 545 HOH A O 1 -HETATM 3840 O O . HOH C 2 . ? 51.273 39.559 -9.189 1.00 20.02 ? 546 HOH A O 1 -HETATM 3841 O O . HOH C 2 . ? 49.315 36.031 -16.455 1.00 18.20 ? 548 HOH A O 1 -HETATM 3842 O O . HOH C 2 . ? 39.306 24.702 -18.228 1.00 18.39 ? 549 HOH A O 1 -HETATM 3843 O O . HOH C 2 . ? 68.848 27.923 9.894 1.00 15.23 ? 552 HOH A O 1 -HETATM 3844 O O . HOH C 2 . ? 18.935 12.322 5.845 1.00 18.22 ? 553 HOH A O 1 -HETATM 3845 O O . HOH C 2 . ? 37.913 35.183 0.820 1.00 21.56 ? 554 HOH A O 1 -HETATM 3846 O O . HOH C 2 . ? 45.693 14.730 -17.599 1.00 17.87 ? 555 HOH A O 1 -HETATM 3847 O O . HOH C 2 . ? 45.762 11.190 4.835 1.00 16.65 ? 556 HOH A O 1 -HETATM 3848 O O . HOH C 2 . ? 34.213 21.589 23.527 1.00 18.16 ? 557 HOH A O 1 -HETATM 3849 O O . HOH C 2 . ? 53.735 9.819 10.979 1.00 15.24 ? 559 HOH A O 1 -HETATM 3850 O O . HOH C 2 . ? 26.169 26.194 -7.776 1.00 17.85 ? 560 HOH A O 1 -HETATM 3851 O O . HOH C 2 . ? 42.320 30.241 7.477 1.00 15.41 ? 563 HOH A O 1 -HETATM 3852 O O . HOH C 2 . ? 56.237 12.064 18.385 1.00 18.46 ? 564 HOH A O 1 -HETATM 3853 O O . HOH C 2 . ? 35.974 28.361 -13.376 1.00 19.91 ? 565 HOH A O 1 -HETATM 3854 O O . HOH C 2 . ? 58.155 5.701 8.327 1.00 18.70 ? 566 HOH A O 1 -HETATM 3855 O O . HOH C 2 . ? 61.933 25.639 -9.759 1.00 15.57 ? 567 HOH A O 1 -HETATM 3856 O O . HOH C 2 . ? 55.058 10.622 -3.580 1.00 18.23 ? 568 HOH A O 1 -HETATM 3857 O O . HOH C 2 . ? 64.271 10.841 1.606 1.00 18.12 ? 569 HOH A O 1 -HETATM 3858 O O . HOH C 2 . ? 35.352 12.459 22.119 1.00 15.50 ? 574 HOH A O 1 -HETATM 3859 O O . HOH C 2 . ? 33.716 12.248 -3.779 1.00 18.68 ? 576 HOH A O 1 -HETATM 3860 O O . HOH C 2 . ? 44.604 34.673 -12.205 1.00 15.28 ? 578 HOH A O 1 -HETATM 3861 O O . HOH C 2 . ? 30.962 9.476 6.095 1.00 14.60 ? 582 HOH A O 1 -HETATM 3862 O O . HOH C 2 . ? 60.348 35.938 0.581 1.00 18.35 ? 584 HOH A O 1 -HETATM 3863 O O . HOH C 2 . ? 29.833 10.811 19.738 1.00 21.54 ? 585 HOH A O 1 -HETATM 3864 O O . HOH C 2 . ? 46.863 18.876 21.721 1.00 15.88 ? 586 HOH A O 1 -HETATM 3865 O O . HOH C 2 . ? 67.088 30.090 -3.994 1.00 16.64 ? 587 HOH A O 1 -HETATM 3866 O O . HOH C 2 . ? 46.050 37.001 -15.147 1.00 16.43 ? 588 HOH A O 1 -HETATM 3867 O O . HOH C 2 . ? 38.090 34.647 -2.538 1.00 13.44 ? 590 HOH A O 1 -HETATM 3868 O O . HOH C 2 . ? 42.917 33.937 -10.277 1.00 18.36 ? 593 HOH A O 1 -HETATM 3869 O O . HOH C 2 . ? 65.350 20.770 -0.779 1.00 15.21 ? 594 HOH A O 1 -HETATM 3870 O O . HOH C 2 . ? 34.028 8.025 24.674 1.00 17.82 ? 596 HOH A O 1 -HETATM 3871 O O . HOH C 2 . ? 38.548 15.065 24.352 1.00 17.95 ? 598 HOH A O 1 -HETATM 3872 O O . HOH C 2 . ? 40.661 7.767 6.672 1.00 18.48 ? 599 HOH A O 1 -HETATM 3873 O O . HOH C 2 . ? 27.724 22.148 11.326 1.00 23.24 ? 600 HOH A O 1 -HETATM 3874 O O . HOH C 2 . ? 34.830 35.827 0.029 1.00 20.66 ? 603 HOH A O 1 -HETATM 3875 O O . HOH C 2 . ? 43.816 25.477 25.104 1.00 22.33 ? 606 HOH A O 1 -HETATM 3876 O O . HOH C 2 . ? 50.773 29.608 12.188 1.00 17.89 ? 609 HOH A O 1 -HETATM 3877 O O . HOH C 2 . ? 54.349 16.308 -15.563 1.00 15.50 ? 610 HOH A O 1 -HETATM 3878 O O . HOH C 2 . ? 43.244 26.079 5.585 1.00 23.98 ? 612 HOH A O 1 -HETATM 3879 O O . HOH C 2 . ? 41.362 7.937 25.163 1.00 19.88 ? 614 HOH A O 1 -HETATM 3880 O O . HOH C 2 . ? 50.884 23.378 -16.764 1.00 17.40 ? 621 HOH A O 1 -HETATM 3881 O O . HOH C 2 . ? 37.756 4.693 18.304 1.00 21.86 ? 622 HOH A O 1 -HETATM 3882 O O . HOH C 2 . ? 37.115 21.501 -20.043 1.00 20.22 ? 623 HOH A O 1 -HETATM 3883 O O . HOH C 2 . ? 36.099 26.849 15.440 1.00 18.24 ? 626 HOH A O 1 -HETATM 3884 O O . HOH C 2 . ? 30.485 7.348 2.141 1.00 24.04 ? 631 HOH A O 1 -HETATM 3885 O O . HOH C 2 . ? 34.190 31.184 -4.373 1.00 17.55 ? 636 HOH A O 1 -HETATM 3886 O O . HOH C 2 . ? 59.874 40.399 -10.109 1.00 21.06 ? 638 HOH A O 1 -HETATM 3887 O O . HOH C 2 . ? 49.196 31.694 12.210 1.00 19.52 ? 639 HOH A O 1 -HETATM 3888 O O . HOH C 2 . ? 43.428 22.036 28.153 1.00 25.15 ? 644 HOH A O 1 -HETATM 3889 O O . HOH C 2 . ? 28.050 19.172 12.407 1.00 22.17 ? 646 HOH A O 1 -HETATM 3890 O O . HOH C 2 . ? 37.447 22.924 -8.181 1.00 17.00 ? 650 HOH A O 1 -HETATM 3891 O O . HOH C 2 . ? 49.855 40.832 -5.069 1.00 23.70 ? 651 HOH A O 1 -HETATM 3892 O O . HOH C 2 . ? 37.592 28.167 24.650 1.00 21.66 ? 653 HOH A O 1 -HETATM 3893 O O . HOH C 2 . ? 66.518 21.896 -8.857 1.00 23.49 ? 654 HOH A O 1 -HETATM 3894 O O . HOH C 2 . ? 44.944 40.835 2.805 1.00 19.41 ? 655 HOH A O 1 -HETATM 3895 O O . HOH C 2 . ? 40.026 17.749 -19.294 1.00 21.90 ? 657 HOH A O 1 -HETATM 3896 O O . HOH C 2 . ? 31.092 7.339 12.216 1.00 20.67 ? 658 HOH A O 1 -HETATM 3897 O O . HOH C 2 . ? 35.421 5.677 23.222 1.00 20.80 ? 662 HOH A O 1 -HETATM 3898 O O . HOH C 2 . ? 67.533 22.151 8.223 1.00 19.38 ? 663 HOH A O 1 -HETATM 3899 O O . HOH C 2 . ? 39.527 29.422 11.026 1.00 18.14 ? 664 HOH A O 1 -HETATM 3900 O O . HOH C 2 . ? 36.317 31.984 -1.481 1.00 16.71 ? 666 HOH A O 1 -HETATM 3901 O O . HOH C 2 . ? 56.683 37.742 6.670 1.00 20.65 ? 668 HOH A O 1 -HETATM 3902 O O . HOH C 2 . ? 58.741 35.149 -11.243 1.00 20.28 ? 670 HOH A O 1 -HETATM 3903 O O . HOH C 2 . ? 19.663 13.885 -4.355 1.00 19.88 ? 671 HOH A O 1 -HETATM 3904 O O . HOH C 2 . ? 36.740 30.635 -14.529 1.00 26.09 ? 672 HOH A O 1 -HETATM 3905 O O . HOH C 2 . ? 39.590 22.789 -20.045 1.00 25.83 ? 673 HOH A O 1 -HETATM 3906 O O . HOH C 2 . ? 29.081 14.371 16.964 1.00 23.72 ? 674 HOH A O 1 -HETATM 3907 O O . HOH C 2 . ? 46.458 8.330 11.454 1.00 24.76 ? 676 HOH A O 1 -HETATM 3908 O O . HOH C 2 . ? 57.000 3.618 6.398 1.00 19.17 ? 678 HOH A O 1 -HETATM 3909 O O . HOH C 2 . ? 60.799 35.451 3.670 1.00 17.62 ? 682 HOH A O 1 -HETATM 3910 O O . HOH C 2 . ? 58.299 32.748 -12.573 1.00 23.86 ? 685 HOH A O 1 -HETATM 3911 O O . HOH C 2 . ? 39.175 9.912 28.572 1.00 26.21 ? 689 HOH A O 1 -HETATM 3912 O O . HOH C 2 . ? 30.866 13.454 19.323 1.00 19.45 ? 692 HOH A O 1 -HETATM 3913 O O . HOH C 2 . ? 42.343 7.416 -4.985 1.00 20.82 ? 696 HOH A O 1 -HETATM 3914 O O . HOH C 2 . ? 37.893 6.657 -5.625 1.00 21.30 ? 698 HOH A O 1 -HETATM 3915 O O . HOH C 2 . ? 26.098 19.412 -9.270 1.00 21.97 ? 702 HOH A O 1 -HETATM 3916 O O . HOH C 2 . ? 37.421 31.217 5.150 1.00 20.81 ? 703 HOH A O 1 -HETATM 3917 O O . HOH C 2 . ? 25.169 16.747 -7.992 1.00 25.36 ? 705 HOH A O 1 -HETATM 3918 O O . HOH C 2 . ? 44.987 27.989 23.561 1.00 22.64 ? 706 HOH A O 1 -HETATM 3919 O O . HOH C 2 . ? 56.220 38.902 -10.426 1.00 19.45 ? 708 HOH A O 1 -HETATM 3920 O O . HOH C 2 . ? 56.951 36.455 9.101 1.00 16.09 ? 709 HOH A O 1 -HETATM 3921 O O . HOH C 2 . ? 35.024 27.650 23.570 1.00 30.23 ? 712 HOH A O 1 -HETATM 3922 O O . HOH C 2 . ? 64.498 20.282 10.644 1.00 18.06 ? 713 HOH A O 1 -HETATM 3923 O O . HOH C 2 . ? 38.355 37.984 2.736 1.00 19.21 ? 718 HOH A O 1 -HETATM 3924 O O . HOH C 2 . ? 46.811 21.146 23.223 1.00 21.03 ? 719 HOH A O 1 -HETATM 3925 O O . HOH C 2 . ? 29.338 18.310 -11.009 1.00 19.28 ? 721 HOH A O 1 -HETATM 3926 O O . HOH C 2 . ? 30.425 20.972 18.171 1.00 20.60 ? 722 HOH A O 1 -HETATM 3927 O O . HOH C 2 . ? 47.870 7.998 -3.578 1.00 26.61 ? 724 HOH A O 1 -HETATM 3928 O O . HOH C 2 . ? 51.093 27.355 14.682 1.00 1.50 ? 725 HOH A O 1 -HETATM 3929 O O . HOH C 2 . ? 37.655 28.491 6.366 1.00 11.75 ? 727 HOH A O 1 -HETATM 3930 O O . HOH C 2 . ? 53.356 29.134 14.053 1.00 12.74 ? 728 HOH A O 1 -HETATM 3931 O O . HOH C 2 . ? 49.238 11.657 21.105 1.00 14.83 ? 734 HOH A O 1 -HETATM 3932 O O . HOH C 2 . ? 27.515 6.924 5.589 1.00 16.27 ? 736 HOH A O 1 -HETATM 3933 O O . HOH C 2 . ? 34.261 38.358 0.977 1.00 12.77 ? 738 HOH A O 1 -HETATM 3934 O O . HOH C 2 . ? 53.851 9.996 0.651 1.00 16.80 ? 741 HOH A O 1 -HETATM 3935 O O . HOH C 2 . ? 44.540 9.241 20.731 1.00 16.32 ? 742 HOH A O 1 -HETATM 3936 O O . HOH C 2 . ? 55.391 14.457 -13.962 1.00 18.49 ? 744 HOH A O 1 -HETATM 3937 O O . HOH C 2 . ? 43.285 7.253 16.620 1.00 16.62 ? 746 HOH A O 1 -HETATM 3938 O O . HOH C 2 . ? 60.363 23.565 -10.926 1.00 14.37 ? 747 HOH A O 1 -HETATM 3939 O O . HOH C 2 . ? 34.560 35.488 -9.496 1.00 14.48 ? 748 HOH A O 1 -HETATM 3940 O O . HOH C 2 . ? 49.923 36.854 4.830 1.00 19.45 ? 750 HOH A O 1 -HETATM 3941 O O . HOH C 2 . ? 29.460 7.594 7.477 1.00 17.29 ? 751 HOH A O 1 -HETATM 3942 O O . HOH C 2 . ? 53.190 10.115 -5.704 1.00 18.03 ? 754 HOH A O 1 -HETATM 3943 O O . HOH C 2 . ? 42.981 9.332 -9.726 1.00 17.72 ? 755 HOH A O 1 -HETATM 3944 O O . HOH C 2 . ? 59.273 24.757 -13.202 1.00 20.32 ? 760 HOH A O 1 -HETATM 3945 O O . HOH C 2 . ? 58.267 41.107 -6.138 1.00 19.62 ? 762 HOH A O 1 -HETATM 3946 O O . HOH C 2 . ? 59.081 36.721 10.829 1.00 23.16 ? 767 HOH A O 1 -HETATM 3947 O O . HOH C 2 . ? 58.432 11.703 16.623 1.00 19.58 ? 768 HOH A O 1 -HETATM 3948 O O . HOH C 2 . ? 66.168 18.829 4.011 1.00 20.06 ? 769 HOH A O 1 -HETATM 3949 O O . HOH C 2 . ? 30.800 10.917 -1.779 1.00 17.64 ? 771 HOH A O 1 -HETATM 3950 O O . HOH C 2 . ? 64.400 15.504 6.467 1.00 21.40 ? 773 HOH A O 1 -HETATM 3951 O O . HOH C 2 . ? 34.612 11.217 0.523 1.00 20.31 ? 774 HOH A O 1 -HETATM 3952 O O . HOH C 2 . ? 40.359 24.734 26.334 1.00 21.91 ? 776 HOH A O 1 -HETATM 3953 O O . HOH C 2 . ? 55.520 32.090 -16.457 1.00 21.25 ? 781 HOH A O 1 -HETATM 3954 O O . HOH C 2 . ? 60.261 14.418 10.440 1.00 19.85 ? 782 HOH A O 1 -HETATM 3955 O O . HOH C 2 . ? 47.711 8.343 18.042 1.00 21.05 ? 783 HOH A O 1 -HETATM 3956 O O . HOH C 2 . ? 36.787 10.058 4.187 1.00 24.42 ? 784 HOH A O 1 -HETATM 3957 O O . HOH C 2 . ? 58.401 12.215 14.006 1.00 22.91 ? 788 HOH A O 1 -HETATM 3958 O O . HOH C 2 . ? 41.230 28.908 -17.419 1.00 25.14 ? 791 HOH A O 1 -HETATM 3959 O O . HOH C 2 . ? 66.102 20.566 -3.556 1.00 24.89 ? 792 HOH A O 1 -HETATM 3960 O O . HOH C 2 . ? 51.703 30.520 -18.250 1.00 23.94 ? 793 HOH A O 1 -HETATM 3961 O O . HOH C 2 . ? 33.607 26.338 19.296 1.00 23.38 ? 797 HOH A O 1 -HETATM 3962 O O . HOH C 2 . ? 65.551 17.932 -0.032 1.00 25.03 ? 798 HOH A O 1 -HETATM 3963 O O . HOH C 2 . ? 38.433 26.561 -19.953 1.00 23.97 ? 801 HOH A O 1 -HETATM 3964 O O . HOH C 2 . ? 61.269 36.448 9.227 1.00 19.99 ? 803 HOH A O 1 -HETATM 3965 O O . HOH C 2 . ? 27.431 15.376 -7.235 1.00 23.17 ? 804 HOH A O 1 -HETATM 3966 O O . HOH C 2 . ? 33.071 23.673 16.015 1.00 20.31 ? 810 HOH A O 1 -HETATM 3967 O O . HOH C 2 . ? 33.981 25.778 21.926 1.00 22.26 ? 811 HOH A O 1 -HETATM 3968 O O . HOH C 2 . ? 57.048 12.595 -6.554 1.00 23.65 ? 812 HOH A O 1 -HETATM 3969 O O . HOH C 2 . ? 46.824 23.625 26.175 1.00 25.02 ? 813 HOH A O 1 -HETATM 3970 O O . HOH C 2 . ? 36.739 29.349 12.248 1.00 22.60 ? 817 HOH A O 1 -HETATM 3971 O O . HOH C 2 . ? 46.577 29.988 22.008 1.00 24.17 ? 818 HOH A O 1 -HETATM 3972 O O . HOH C 2 . ? 54.210 39.891 -8.857 1.00 19.93 ? 819 HOH A O 1 -HETATM 3973 O O . HOH C 2 . ? 59.032 11.602 -1.727 1.00 24.94 ? 820 HOH A O 1 -HETATM 3974 O O . HOH C 2 . ? 62.637 34.277 5.387 1.00 22.50 ? 821 HOH A O 1 -HETATM 3975 O O . HOH C 2 . ? 40.078 3.389 17.769 1.00 25.94 ? 822 HOH A O 1 -HETATM 3976 O O . HOH C 2 . ? 43.553 38.093 -10.575 1.00 23.75 ? 826 HOH A O 1 -HETATM 3977 O O . HOH C 2 . ? 56.702 6.949 1.983 1.00 25.31 ? 827 HOH A O 1 -HETATM 3978 O O . HOH C 2 . ? 49.385 9.076 3.501 1.00 23.59 ? 830 HOH A O 1 -HETATM 3979 O O . HOH C 2 . ? 30.540 23.626 17.145 1.00 27.56 ? 831 HOH A O 1 -HETATM 3980 O O . HOH C 2 . ? 33.273 25.534 12.243 1.00 23.00 ? 832 HOH A O 1 -HETATM 3981 O O . HOH C 2 . ? 55.239 41.064 -3.415 1.00 24.19 ? 833 HOH A O 1 -HETATM 3982 O O . HOH C 2 . ? 42.955 35.032 -14.581 1.00 23.22 ? 834 HOH A O 1 -HETATM 3983 O O . HOH C 2 . ? 60.314 28.660 -15.613 1.00 23.80 ? 835 HOH A O 1 -HETATM 3984 O O . HOH C 2 . ? 51.924 21.701 -18.725 1.00 28.92 ? 837 HOH A O 1 -HETATM 3985 O O . HOH C 2 . ? 56.557 17.541 -16.636 1.00 24.75 ? 838 HOH A O 1 -HETATM 3986 O O . HOH C 2 . ? 29.698 25.324 9.801 1.00 24.38 ? 839 HOH A O 1 -HETATM 3987 O O . HOH C 2 . ? 33.035 8.803 4.367 1.00 25.84 ? 840 HOH A O 1 -HETATM 3988 O O . HOH C 2 . ? 45.345 24.737 -19.982 1.00 27.06 ? 841 HOH A O 1 -HETATM 3989 O O . HOH C 2 . ? 46.853 23.934 23.465 1.00 24.82 ? 846 HOH A O 1 -HETATM 3990 O O . HOH C 2 . ? 39.197 7.511 -9.775 1.00 23.69 ? 847 HOH A O 1 -HETATM 3991 O O . HOH C 2 . ? 38.176 29.653 17.288 1.00 22.19 ? 848 HOH A O 1 -HETATM 3992 O O . HOH C 2 . ? 31.982 6.734 20.767 1.00 26.27 ? 849 HOH A O 1 -HETATM 3993 O O . HOH C 2 . ? 18.693 21.973 -0.885 1.00 24.78 ? 850 HOH A O 1 -HETATM 3994 O O . HOH C 2 . ? 27.848 17.261 15.322 1.00 23.10 ? 851 HOH A O 1 -HETATM 3995 O O . HOH C 2 . ? 50.862 41.599 -7.450 1.00 25.06 ? 852 HOH A O 1 -HETATM 3996 O O . HOH C 2 . ? 30.506 11.816 -8.825 1.00 24.83 ? 854 HOH A O 1 -HETATM 3997 O O . HOH C 2 . ? 25.835 30.995 -2.625 1.00 26.08 ? 858 HOH A O 1 -HETATM 3998 O O . HOH C 2 . ? 28.572 8.699 13.329 1.00 26.86 ? 859 HOH A O 1 -HETATM 3999 O O . HOH C 2 . ? 67.997 25.976 11.648 1.00 23.86 ? 860 HOH A O 1 -HETATM 4000 O O . HOH C 2 . ? 45.303 37.685 8.400 1.00 24.48 ? 863 HOH A O 1 -HETATM 4001 O O . HOH C 2 . ? 27.520 11.977 -5.284 1.00 27.78 ? 864 HOH A O 1 -HETATM 4002 O O . HOH C 2 . ? 66.331 28.886 3.049 1.00 22.16 ? 866 HOH A O 1 -HETATM 4003 O O . HOH C 2 . ? 48.631 34.067 -18.873 1.00 26.19 ? 867 HOH A O 1 -HETATM 4004 O O . HOH C 2 . ? 45.122 9.514 6.951 1.00 29.12 ? 868 HOH A O 1 -HETATM 4005 O O . HOH C 2 . ? 65.646 36.660 -10.497 1.00 25.07 ? 869 HOH A O 1 -HETATM 4006 O O . HOH C 2 . ? 64.022 14.404 -1.851 1.00 24.20 ? 870 HOH A O 1 -HETATM 4007 O O . HOH C 2 . ? 69.299 24.678 -4.957 1.00 27.37 ? 873 HOH A O 1 -HETATM 4008 O O . HOH C 2 . ? 46.750 11.435 -17.201 1.00 29.70 ? 877 HOH A O 1 -HETATM 4009 O O . HOH C 2 . ? 43.641 35.038 -7.648 1.00 27.65 ? 879 HOH A O 1 -HETATM 4010 O O . HOH C 2 . ? 20.546 27.327 -4.648 1.00 27.97 ? 885 HOH A O 1 -HETATM 4011 O O . HOH C 2 . ? 47.538 9.322 -15.398 1.00 24.90 ? 888 HOH A O 1 -HETATM 4012 O O . HOH C 2 . ? 14.269 17.507 6.572 1.00 28.01 ? 889 HOH A O 1 -HETATM 4013 O O . HOH C 2 . ? 30.941 17.560 -16.709 1.00 22.28 ? 890 HOH A O 1 -HETATM 4014 O O . HOH C 2 . ? 49.644 26.189 -19.669 1.00 26.33 ? 891 HOH A O 1 -HETATM 4015 O O . HOH C 2 . ? 26.733 28.523 6.864 1.00 26.96 ? 892 HOH A O 1 -HETATM 4016 O O . HOH C 2 . ? 35.616 20.443 26.299 1.00 26.47 ? 894 HOH A O 1 -HETATM 4017 O O . HOH C 2 . ? 55.975 4.473 2.690 1.00 25.60 ? 896 HOH A O 1 -HETATM 4018 O O . HOH C 2 . ? 31.036 35.336 0.206 1.00 27.54 ? 898 HOH A O 1 -HETATM 4019 O O . HOH C 2 . ? 28.592 19.077 17.358 1.00 28.23 ? 904 HOH A O 1 -HETATM 4020 O O . HOH C 2 . ? 43.221 7.641 5.310 1.00 28.73 ? 907 HOH A O 1 -HETATM 4021 O O . HOH C 2 . ? 45.858 19.143 -21.694 1.00 26.47 ? 908 HOH A O 1 -HETATM 4022 O O . HOH C 2 . ? 64.266 21.916 -10.473 1.00 28.70 ? 910 HOH A O 1 -HETATM 4023 O O . HOH C 2 . ? 19.732 10.838 7.980 1.00 27.07 ? 911 HOH A O 1 -HETATM 4024 O O . HOH C 2 . ? 34.487 32.345 -12.229 1.00 30.12 ? 913 HOH A O 1 -HETATM 4025 O O . HOH C 2 . ? 23.636 27.660 0.887 1.00 30.17 ? 914 HOH A O 1 -HETATM 4026 O O . HOH C 2 . ? 37.293 10.094 -13.066 1.00 30.36 ? 915 HOH A O 1 -HETATM 4027 O O . HOH C 2 . ? 43.960 9.697 -14.406 1.00 32.00 ? 916 HOH A O 1 -HETATM 4028 O O . HOH C 2 . ? 42.123 34.905 14.493 1.00 26.72 ? 917 HOH A O 1 -HETATM 4029 O O . HOH C 2 . ? 39.606 36.305 -11.836 1.00 29.33 ? 920 HOH A O 1 -HETATM 4030 O O . HOH C 2 . ? 34.841 9.314 -14.160 1.00 28.16 ? 924 HOH A O 1 -HETATM 4031 O O . HOH C 2 . ? 37.118 18.828 -19.972 1.00 27.65 ? 926 HOH A O 1 -HETATM 4032 O O . HOH C 2 . ? 63.880 36.802 10.268 1.00 27.95 ? 927 HOH A O 1 -HETATM 4033 O O . HOH C 2 . ? 64.243 28.261 -13.325 1.00 30.10 ? 928 HOH A O 1 -HETATM 4034 O O . HOH C 2 . ? 31.956 11.844 -15.764 1.00 26.86 ? 929 HOH A O 1 -HETATM 4035 O O . HOH C 2 . ? 30.147 20.484 20.857 1.00 28.80 ? 930 HOH A O 1 -HETATM 4036 O O . HOH C 2 . ? 21.609 21.785 -8.516 1.00 28.90 ? 934 HOH A O 1 -HETATM 4037 O O . HOH C 2 . ? 41.640 8.462 0.850 1.00 25.97 ? 937 HOH A O 1 -HETATM 4038 O O . HOH C 2 . ? 61.978 11.003 -1.053 1.00 34.59 ? 941 HOH A O 1 -HETATM 4039 O O . HOH C 2 . ? 34.410 31.418 5.214 1.00 31.59 ? 942 HOH A O 1 -HETATM 4040 O O . HOH C 2 . ? 18.188 14.582 3.296 1.00 30.26 ? 946 HOH A O 1 -HETATM 4041 O O . HOH C 2 . ? 47.903 37.632 6.457 1.00 27.45 ? 947 HOH A O 1 -HETATM 4042 O O . HOH C 2 . ? 66.564 22.701 5.511 1.00 30.53 ? 950 HOH A O 1 -HETATM 4043 O O . HOH C 2 . ? 49.283 34.351 12.431 1.00 28.97 ? 954 HOH A O 1 -HETATM 4044 O O . HOH C 2 . ? 41.117 28.123 6.277 1.00 26.91 ? 955 HOH A O 1 -HETATM 4045 O O . HOH C 2 . ? 42.137 15.628 27.922 1.00 27.92 ? 956 HOH A O 1 -HETATM 4046 O O . HOH C 2 . ? 22.925 23.756 9.478 1.00 22.73 ? 957 HOH A O 1 -HETATM 4047 O O . HOH C 2 . ? 33.227 5.712 12.495 1.00 27.65 ? 958 HOH A O 1 -HETATM 4048 O O . HOH C 2 . ? 41.426 12.008 -14.860 1.00 30.21 ? 959 HOH A O 1 -HETATM 4049 O O . HOH C 2 . ? 65.355 33.004 4.496 1.00 30.28 ? 960 HOH A O 1 -HETATM 4050 O O . HOH C 2 . ? 56.595 6.644 10.967 1.00 27.07 ? 963 HOH A O 1 -HETATM 4051 O O . HOH C 2 . ? 39.089 27.271 27.167 1.00 29.82 ? 966 HOH A O 1 -HETATM 4052 O O . HOH C 2 . ? 45.953 7.703 14.053 1.00 25.66 ? 968 HOH A O 1 -HETATM 4053 O O . HOH C 2 . ? 29.406 17.256 -6.917 1.00 27.17 ? 969 HOH A O 1 -HETATM 4054 O O . HOH C 2 . ? 26.163 17.408 13.125 1.00 28.06 ? 973 HOH A O 1 -HETATM 4055 O O . HOH C 2 . ? 32.138 14.961 -16.744 1.00 30.88 ? 975 HOH A O 1 -HETATM 4056 O O . HOH C 2 . ? 39.436 15.826 26.754 1.00 31.01 ? 976 HOH A O 1 -HETATM 4057 O O . HOH C 2 . ? 40.857 33.975 12.084 1.00 24.59 ? 977 HOH A O 1 -HETATM 4058 O O . HOH C 2 . ? 27.267 30.198 4.538 1.00 26.58 ? 978 HOH A O 1 -HETATM 4059 O O . HOH C 2 . ? 68.151 19.431 8.288 1.00 29.52 ? 979 HOH A O 1 -HETATM 4060 O O . HOH C 2 . ? 51.931 34.935 11.835 1.00 27.48 ? 981 HOH A O 1 -HETATM 4061 O O . HOH C 2 . ? 51.754 39.525 -0.619 1.00 29.50 ? 982 HOH A O 1 -HETATM 4062 O O . HOH C 2 . ? 48.952 35.828 15.162 1.00 32.63 ? 984 HOH A O 1 -HETATM 4063 O O . HOH C 2 . ? 62.442 33.957 -12.987 1.00 29.46 ? 987 HOH A O 1 -HETATM 4064 O O . HOH C 2 . ? 55.773 33.000 -13.776 1.00 29.14 ? 988 HOH A O 1 -HETATM 4065 O O . HOH C 2 . ? 14.061 19.521 0.502 1.00 36.80 ? 990 HOH A O 1 -HETATM 4066 O O . HOH C 2 . ? 31.830 30.604 -5.991 1.00 25.93 ? 996 HOH A O 1 -HETATM 4067 O O . HOH C 2 . ? 66.974 22.300 1.041 1.00 29.86 ? 997 HOH A O 1 -HETATM 4068 O O . HOH C 2 . ? 32.174 19.989 22.745 1.00 28.47 ? 999 HOH A O 1 -HETATM 4069 O O . HOH C 2 . ? 37.924 8.149 2.478 1.00 29.78 ? 1003 HOH A O 1 -HETATM 4070 O O . HOH C 2 . ? 56.639 24.112 -15.315 1.00 31.18 ? 1004 HOH A O 1 -HETATM 4071 O O . HOH C 2 . ? 51.465 35.587 -4.278 1.00 41.09 ? 1005 HOH A O 1 -HETATM 4072 O O . HOH C 2 . ? 43.341 8.854 10.402 1.00 29.04 ? 1006 HOH A O 1 -HETATM 4073 O O . HOH C 2 . ? 50.054 9.954 11.401 1.00 26.69 ? 1008 HOH A O 1 -HETATM 4074 O O . HOH C 2 . ? 29.616 14.718 21.597 1.00 32.73 ? 1009 HOH A O 1 -HETATM 4075 O O . HOH C 2 . ? 47.491 8.124 6.835 1.00 28.82 ? 1012 HOH A O 1 -HETATM 4076 O O . HOH C 2 . ? 65.922 30.903 0.818 1.00 27.14 ? 1013 HOH A O 1 -HETATM 4077 O O . HOH C 2 . ? 39.782 37.442 5.163 1.00 30.08 ? 1014 HOH A O 1 -HETATM 4078 O O . HOH C 2 . ? 29.325 14.200 -10.508 1.00 28.79 ? 1019 HOH A O 1 -HETATM 4079 O O . HOH C 2 . ? 40.433 34.899 16.692 1.00 31.50 ? 1020 HOH A O 1 -HETATM 4080 O O . HOH C 2 . ? 39.124 33.335 5.695 1.00 29.69 ? 1021 HOH A O 1 -HETATM 4081 O O . HOH C 2 . ? 46.099 7.721 -5.893 1.00 30.43 ? 1025 HOH A O 1 -HETATM 4082 O O . HOH C 2 . ? 43.164 14.531 -16.892 1.00 37.45 ? 1026 HOH A O 1 -HETATM 4083 O O . HOH C 2 . ? 51.632 7.720 -5.231 1.00 26.40 ? 1027 HOH A O 1 -HETATM 4084 O O . HOH C 2 . ? 66.070 28.942 -11.321 1.00 28.48 ? 1029 HOH A O 1 -HETATM 4085 O O . HOH D 2 . ? 52.988 26.125 20.360 1.00 3.11 ? 400 HOH B O 1 -HETATM 4086 O O . HOH D 2 . ? 52.517 26.764 41.372 1.00 5.11 ? 403 HOH B O 1 -HETATM 4087 O O . HOH D 2 . ? 48.503 23.956 36.224 1.00 5.90 ? 404 HOH B O 1 -HETATM 4088 O O . HOH D 2 . ? 47.892 17.910 37.035 1.00 7.19 ? 405 HOH B O 1 -HETATM 4089 O O . HOH D 2 . ? 55.654 27.737 13.994 1.00 6.20 ? 406 HOH B O 1 -HETATM 4090 O O . HOH D 2 . ? 48.880 14.745 29.033 1.00 7.01 ? 408 HOH B O 1 -HETATM 4091 O O . HOH D 2 . ? 53.065 24.240 18.189 1.00 5.49 ? 411 HOH B O 1 -HETATM 4092 O O . HOH D 2 . ? 55.562 32.204 23.547 1.00 6.15 ? 412 HOH B O 1 -HETATM 4093 O O . HOH D 2 . ? 54.436 25.246 13.712 1.00 8.68 ? 413 HOH B O 1 -HETATM 4094 O O . HOH D 2 . ? 51.596 21.885 26.167 1.00 6.52 ? 414 HOH B O 1 -HETATM 4095 O O . HOH D 2 . ? 54.290 27.786 45.833 1.00 7.58 ? 416 HOH B O 1 -HETATM 4096 O O . HOH D 2 . ? 53.302 23.235 24.513 1.00 7.15 ? 417 HOH B O 1 -HETATM 4097 O O . HOH D 2 . ? 70.307 30.239 20.347 1.00 7.24 ? 418 HOH B O 1 -HETATM 4098 O O . HOH D 2 . ? 70.495 15.329 35.365 1.00 9.36 ? 423 HOH B O 1 -HETATM 4099 O O . HOH D 2 . ? 52.035 11.514 39.440 1.00 8.02 ? 425 HOH B O 1 -HETATM 4100 O O . HOH D 2 . ? 66.084 20.220 19.636 1.00 7.70 ? 428 HOH B O 1 -HETATM 4101 O O . HOH D 2 . ? 60.143 30.357 32.398 1.00 8.87 ? 432 HOH B O 1 -HETATM 4102 O O . HOH D 2 . ? 47.610 14.708 36.470 1.00 6.44 ? 433 HOH B O 1 -HETATM 4103 O O . HOH D 2 . ? 47.785 27.930 43.127 1.00 9.41 ? 436 HOH B O 1 -HETATM 4104 O O . HOH D 2 . ? 74.682 29.073 44.821 1.00 10.21 ? 437 HOH B O 1 -HETATM 4105 O O . HOH D 2 . ? 48.131 7.590 31.672 1.00 8.90 ? 438 HOH B O 1 -HETATM 4106 O O . HOH D 2 . ? 67.522 13.514 38.034 1.00 7.50 ? 441 HOH B O 1 -HETATM 4107 O O . HOH D 2 . ? 46.571 15.732 27.893 1.00 8.61 ? 442 HOH B O 1 -HETATM 4108 O O . HOH D 2 . ? 70.492 31.159 17.681 1.00 8.04 ? 445 HOH B O 1 -HETATM 4109 O O . HOH D 2 . ? 50.222 20.939 22.449 1.00 8.64 ? 446 HOH B O 1 -HETATM 4110 O O . HOH D 2 . ? 49.427 7.533 29.290 1.00 9.46 ? 447 HOH B O 1 -HETATM 4111 O O . HOH D 2 . ? 65.831 29.120 12.645 1.00 8.89 ? 454 HOH B O 1 -HETATM 4112 O O . HOH D 2 . ? 58.067 35.033 37.403 1.00 10.52 ? 456 HOH B O 1 -HETATM 4113 O O . HOH D 2 . ? 44.918 27.985 40.788 1.00 9.36 ? 457 HOH B O 1 -HETATM 4114 O O . HOH D 2 . ? 67.432 25.076 16.240 1.00 12.73 ? 458 HOH B O 1 -HETATM 4115 O O . HOH D 2 . ? 77.246 24.189 40.309 1.00 16.05 ? 460 HOH B O 1 -HETATM 4116 O O . HOH D 2 . ? 69.086 42.901 19.094 1.00 13.88 ? 464 HOH B O 1 -HETATM 4117 O O . HOH D 2 . ? 62.159 34.092 8.051 1.00 11.33 ? 465 HOH B O 1 -HETATM 4118 O O . HOH D 2 . ? 45.817 31.623 34.297 1.00 10.85 ? 468 HOH B O 1 -HETATM 4119 O O . HOH D 2 . ? 73.395 33.087 27.495 1.00 10.52 ? 469 HOH B O 1 -HETATM 4120 O O . HOH D 2 . ? 58.770 38.548 36.155 1.00 11.32 ? 470 HOH B O 1 -HETATM 4121 O O . HOH D 2 . ? 71.563 44.107 18.867 1.00 15.90 ? 471 HOH B O 1 -HETATM 4122 O O . HOH D 2 . ? 68.729 40.811 42.833 1.00 10.04 ? 473 HOH B O 1 -HETATM 4123 O O . HOH D 2 . ? 57.362 32.204 51.544 1.00 12.33 ? 475 HOH B O 1 -HETATM 4124 O O . HOH D 2 . ? 61.528 14.826 17.730 1.00 11.65 ? 476 HOH B O 1 -HETATM 4125 O O . HOH D 2 . ? 70.085 13.131 39.183 1.00 12.81 ? 477 HOH B O 1 -HETATM 4126 O O . HOH D 2 . ? 51.103 31.706 16.583 1.00 13.51 ? 478 HOH B O 1 -HETATM 4127 O O . HOH D 2 . ? 71.043 12.622 32.730 1.00 18.91 ? 483 HOH B O 1 -HETATM 4128 O O . HOH D 2 . ? 68.124 18.353 19.366 1.00 11.95 ? 485 HOH B O 1 -HETATM 4129 O O . HOH D 2 . ? 76.668 26.490 33.793 1.00 15.74 ? 490 HOH B O 1 -HETATM 4130 O O . HOH D 2 . ? 68.299 15.620 29.207 1.00 11.19 ? 491 HOH B O 1 -HETATM 4131 O O . HOH D 2 . ? 49.402 22.983 25.958 1.00 8.96 ? 492 HOH B O 1 -HETATM 4132 O O . HOH D 2 . ? 44.796 9.867 30.531 1.00 13.89 ? 496 HOH B O 1 -HETATM 4133 O O . HOH D 2 . ? 46.567 7.156 34.939 1.00 16.75 ? 498 HOH B O 1 -HETATM 4134 O O . HOH D 2 . ? 72.821 32.935 51.853 1.00 14.66 ? 499 HOH B O 1 -HETATM 4135 O O . HOH D 2 . ? 57.635 38.785 28.348 1.00 15.55 ? 504 HOH B O 1 -HETATM 4136 O O . HOH D 2 . ? 77.306 39.555 40.136 1.00 13.94 ? 505 HOH B O 1 -HETATM 4137 O O . HOH D 2 . ? 60.651 8.273 25.371 1.00 13.12 ? 506 HOH B O 1 -HETATM 4138 O O . HOH D 2 . ? 54.815 1.563 34.495 1.00 14.15 ? 508 HOH B O 1 -HETATM 4139 O O . HOH D 2 . ? 69.059 12.791 35.809 1.00 14.67 ? 513 HOH B O 1 -HETATM 4140 O O . HOH D 2 . ? 75.077 15.364 43.346 1.00 14.40 ? 514 HOH B O 1 -HETATM 4141 O O . HOH D 2 . ? 48.534 20.593 25.690 1.00 14.14 ? 516 HOH B O 1 -HETATM 4142 O O . HOH D 2 . ? 64.680 12.270 20.782 1.00 12.12 ? 518 HOH B O 1 -HETATM 4143 O O . HOH D 2 . ? 43.609 15.123 42.109 1.00 12.72 ? 519 HOH B O 1 -HETATM 4144 O O . HOH D 2 . ? 68.892 44.045 21.656 1.00 16.11 ? 521 HOH B O 1 -HETATM 4145 O O . HOH D 2 . ? 53.453 33.121 43.966 1.00 12.65 ? 522 HOH B O 1 -HETATM 4146 O O . HOH D 2 . ? 53.260 9.841 21.807 1.00 11.39 ? 524 HOH B O 1 -HETATM 4147 O O . HOH D 2 . ? 70.819 24.202 27.247 1.00 17.39 ? 527 HOH B O 1 -HETATM 4148 O O . HOH D 2 . ? 46.039 9.924 23.915 1.00 13.27 ? 528 HOH B O 1 -HETATM 4149 O O . HOH D 2 . ? 74.313 41.719 25.823 1.00 13.63 ? 529 HOH B O 1 -HETATM 4150 O O . HOH D 2 . ? 64.687 47.454 41.042 1.00 18.66 ? 532 HOH B O 1 -HETATM 4151 O O . HOH D 2 . ? 58.299 5.946 30.905 1.00 12.67 ? 534 HOH B O 1 -HETATM 4152 O O . HOH D 2 . ? 57.898 40.835 23.832 1.00 18.40 ? 541 HOH B O 1 -HETATM 4153 O O . HOH D 2 . ? 74.900 34.374 36.924 1.00 14.79 ? 543 HOH B O 1 -HETATM 4154 O O . HOH D 2 . ? 67.911 9.951 33.200 1.00 17.49 ? 547 HOH B O 1 -HETATM 4155 O O . HOH D 2 . ? 65.979 34.050 51.259 1.00 15.39 ? 550 HOH B O 1 -HETATM 4156 O O . HOH D 2 . ? 54.325 29.169 50.111 1.00 15.12 ? 551 HOH B O 1 -HETATM 4157 O O . HOH D 2 . ? 57.124 13.450 50.791 1.00 16.71 ? 558 HOH B O 1 -HETATM 4158 O O . HOH D 2 . ? 74.627 31.709 30.028 1.00 19.95 ? 561 HOH B O 1 -HETATM 4159 O O . HOH D 2 . ? 67.616 8.469 25.904 1.00 18.30 ? 562 HOH B O 1 -HETATM 4160 O O . HOH D 2 . ? 57.808 29.334 32.760 1.00 16.60 ? 570 HOH B O 1 -HETATM 4161 O O . HOH D 2 . ? 62.514 29.998 52.485 1.00 17.15 ? 571 HOH B O 1 -HETATM 4162 O O . HOH D 2 . ? 64.090 37.733 13.057 1.00 11.78 ? 572 HOH B O 1 -HETATM 4163 O O . HOH D 2 . ? 54.282 23.763 51.560 1.00 16.61 ? 573 HOH B O 1 -HETATM 4164 O O . HOH D 2 . ? 52.779 18.256 54.627 1.00 17.35 ? 575 HOH B O 1 -HETATM 4165 O O . HOH D 2 . ? 54.984 26.050 50.001 1.00 19.25 ? 577 HOH B O 1 -HETATM 4166 O O . HOH D 2 . ? 64.798 25.858 15.155 1.00 16.19 ? 579 HOH B O 1 -HETATM 4167 O O . HOH D 2 . ? 49.955 28.010 23.248 1.00 18.67 ? 580 HOH B O 1 -HETATM 4168 O O . HOH D 2 . ? 52.514 35.356 14.885 1.00 15.42 ? 581 HOH B O 1 -HETATM 4169 O O . HOH D 2 . ? 68.025 39.334 14.965 1.00 15.61 ? 583 HOH B O 1 -HETATM 4170 O O . HOH D 2 . ? 61.288 20.244 53.412 1.00 21.86 ? 589 HOH B O 1 -HETATM 4171 O O . HOH D 2 . ? 55.605 10.335 20.457 1.00 19.56 ? 591 HOH B O 1 -HETATM 4172 O O . HOH D 2 . ? 56.509 31.019 14.283 1.00 11.80 ? 592 HOH B O 1 -HETATM 4173 O O . HOH D 2 . ? 61.951 10.280 20.980 1.00 23.64 ? 595 HOH B O 1 -HETATM 4174 O O . HOH D 2 . ? 73.222 35.341 48.412 1.00 18.21 ? 597 HOH B O 1 -HETATM 4175 O O . HOH D 2 . ? 71.333 15.341 31.747 1.00 18.60 ? 601 HOH B O 1 -HETATM 4176 O O . HOH D 2 . ? 43.190 19.628 29.359 1.00 19.62 ? 602 HOH B O 1 -HETATM 4177 O O . HOH D 2 . ? 44.047 8.822 33.475 1.00 16.86 ? 604 HOH B O 1 -HETATM 4178 O O . HOH D 2 . ? 48.686 27.441 47.400 1.00 15.82 ? 605 HOH B O 1 -HETATM 4179 O O . HOH D 2 . ? 74.752 35.785 12.686 1.00 17.06 ? 607 HOH B O 1 -HETATM 4180 O O . HOH D 2 . ? 66.051 29.435 45.484 1.00 14.57 ? 608 HOH B O 1 -HETATM 4181 O O . HOH D 2 . ? 57.269 7.202 46.835 1.00 19.88 ? 611 HOH B O 1 -HETATM 4182 O O . HOH D 2 . ? 70.404 21.783 25.868 1.00 18.01 ? 613 HOH B O 1 -HETATM 4183 O O . HOH D 2 . ? 59.428 45.372 36.350 1.00 22.20 ? 615 HOH B O 1 -HETATM 4184 O O . HOH D 2 . ? 62.570 45.313 19.833 1.00 21.88 ? 616 HOH B O 1 -HETATM 4185 O O . HOH D 2 . ? 77.199 40.176 47.712 1.00 26.36 ? 617 HOH B O 1 -HETATM 4186 O O . HOH D 2 . ? 71.500 36.799 46.946 1.00 17.02 ? 618 HOH B O 1 -HETATM 4187 O O . HOH D 2 . ? 73.205 22.306 52.718 1.00 21.75 ? 619 HOH B O 1 -HETATM 4188 O O . HOH D 2 . ? 66.008 40.964 48.960 1.00 18.16 ? 620 HOH B O 1 -HETATM 4189 O O . HOH D 2 . ? 54.271 35.391 30.052 1.00 15.97 ? 624 HOH B O 1 -HETATM 4190 O O . HOH D 2 . ? 78.331 45.103 42.672 1.00 13.12 ? 625 HOH B O 1 -HETATM 4191 O O . HOH D 2 . ? 74.968 39.835 46.377 1.00 23.69 ? 627 HOH B O 1 -HETATM 4192 O O . HOH D 2 . ? 52.721 21.843 54.545 1.00 18.16 ? 628 HOH B O 1 -HETATM 4193 O O . HOH D 2 . ? 73.626 17.092 49.127 1.00 19.64 ? 629 HOH B O 1 -HETATM 4194 O O . HOH D 2 . ? 47.605 34.542 28.556 1.00 23.20 ? 630 HOH B O 1 -HETATM 4195 O O . HOH D 2 . ? 79.558 29.786 50.039 1.00 22.96 ? 632 HOH B O 1 -HETATM 4196 O O . HOH D 2 . ? 73.871 47.187 45.569 1.00 19.71 ? 633 HOH B O 1 -HETATM 4197 O O . HOH D 2 . ? 66.722 38.549 12.777 1.00 21.39 ? 634 HOH B O 1 -HETATM 4198 O O . HOH D 2 . ? 45.053 27.766 35.941 1.00 21.35 ? 635 HOH B O 1 -HETATM 4199 O O . HOH D 2 . ? 65.892 41.004 14.733 1.00 18.07 ? 637 HOH B O 1 -HETATM 4200 O O . HOH D 2 . ? 65.461 8.782 33.297 1.00 18.19 ? 640 HOH B O 1 -HETATM 4201 O O . HOH D 2 . ? 54.822 36.183 11.123 1.00 19.57 ? 641 HOH B O 1 -HETATM 4202 O O . HOH D 2 . ? 53.503 32.500 12.381 1.00 17.86 ? 642 HOH B O 1 -HETATM 4203 O O . HOH D 2 . ? 76.355 37.924 29.404 1.00 21.07 ? 643 HOH B O 1 -HETATM 4204 O O . HOH D 2 . ? 53.622 31.529 32.456 1.00 14.31 ? 645 HOH B O 1 -HETATM 4205 O O . HOH D 2 . ? 56.834 36.376 34.931 1.00 24.05 ? 647 HOH B O 1 -HETATM 4206 O O . HOH D 2 . ? 46.949 19.311 48.405 1.00 19.94 ? 648 HOH B O 1 -HETATM 4207 O O . HOH D 2 . ? 75.399 34.233 15.682 1.00 18.03 ? 649 HOH B O 1 -HETATM 4208 O O . HOH D 2 . ? 72.685 39.245 48.146 1.00 21.23 ? 652 HOH B O 1 -HETATM 4209 O O . HOH D 2 . ? 50.381 34.283 16.821 1.00 21.60 ? 656 HOH B O 1 -HETATM 4210 O O . HOH D 2 . ? 65.265 52.315 32.428 1.00 29.39 ? 659 HOH B O 1 -HETATM 4211 O O . HOH D 2 . ? 44.652 14.236 33.214 1.00 20.41 ? 660 HOH B O 1 -HETATM 4212 O O . HOH D 2 . ? 43.167 19.342 32.779 1.00 21.90 ? 661 HOH B O 1 -HETATM 4213 O O . HOH D 2 . ? 54.270 3.750 31.334 1.00 19.38 ? 665 HOH B O 1 -HETATM 4214 O O . HOH D 2 . ? 57.960 34.051 11.683 1.00 17.40 ? 667 HOH B O 1 -HETATM 4215 O O . HOH D 2 . ? 76.586 30.550 34.692 1.00 20.36 ? 669 HOH B O 1 -HETATM 4216 O O . HOH D 2 . ? 52.485 34.312 34.915 1.00 15.05 ? 675 HOH B O 1 -HETATM 4217 O O . HOH D 2 . ? 47.861 7.602 26.914 1.00 17.57 ? 677 HOH B O 1 -HETATM 4218 O O . HOH D 2 . ? 60.439 26.190 53.359 1.00 17.55 ? 679 HOH B O 1 -HETATM 4219 O O . HOH D 2 . ? 72.755 45.975 48.870 1.00 19.71 ? 680 HOH B O 1 -HETATM 4220 O O . HOH D 2 . ? 73.991 13.536 41.301 1.00 15.51 ? 681 HOH B O 1 -HETATM 4221 O O . HOH D 2 . ? 76.714 43.994 39.914 1.00 22.31 ? 683 HOH B O 1 -HETATM 4222 O O . HOH D 2 . ? 62.619 44.468 22.479 1.00 19.37 ? 684 HOH B O 1 -HETATM 4223 O O . HOH D 2 . ? 67.030 44.363 27.549 1.00 21.62 ? 686 HOH B O 1 -HETATM 4224 O O . HOH D 2 . ? 71.361 43.917 49.681 1.00 22.96 ? 687 HOH B O 1 -HETATM 4225 O O . HOH D 2 . ? 75.585 32.551 38.834 1.00 22.57 ? 688 HOH B O 1 -HETATM 4226 O O . HOH D 2 . ? 56.340 34.578 43.050 1.00 15.49 ? 690 HOH B O 1 -HETATM 4227 O O . HOH D 2 . ? 64.503 49.033 33.630 1.00 20.47 ? 691 HOH B O 1 -HETATM 4228 O O . HOH D 2 . ? 52.370 41.487 17.730 1.00 22.14 ? 693 HOH B O 1 -HETATM 4229 O O . HOH D 2 . ? 77.328 39.536 19.304 1.00 22.06 ? 694 HOH B O 1 -HETATM 4230 O O . HOH D 2 . ? 80.613 28.371 39.434 1.00 28.63 ? 695 HOH B O 1 -HETATM 4231 O O . HOH D 2 . ? 71.262 20.208 21.526 1.00 27.89 ? 697 HOH B O 1 -HETATM 4232 O O . HOH D 2 . ? 71.886 22.155 50.306 1.00 35.35 ? 699 HOH B O 1 -HETATM 4233 O O . HOH D 2 . ? 78.026 23.538 35.976 1.00 22.92 ? 700 HOH B O 1 -HETATM 4234 O O . HOH D 2 . ? 45.260 7.907 38.520 1.00 22.81 ? 701 HOH B O 1 -HETATM 4235 O O . HOH D 2 . ? 54.999 40.471 32.148 1.00 22.14 ? 704 HOH B O 1 -HETATM 4236 O O . HOH D 2 . ? 47.239 7.762 22.818 1.00 20.90 ? 707 HOH B O 1 -HETATM 4237 O O . HOH D 2 . ? 49.251 39.202 27.308 1.00 26.21 ? 710 HOH B O 1 -HETATM 4238 O O . HOH D 2 . ? 71.175 28.159 11.462 1.00 22.98 ? 711 HOH B O 1 -HETATM 4239 O O . HOH D 2 . ? 73.701 34.332 30.761 1.00 19.86 ? 714 HOH B O 1 -HETATM 4240 O O . HOH D 2 . ? 67.898 9.827 38.284 1.00 26.52 ? 715 HOH B O 1 -HETATM 4241 O O . HOH D 2 . ? 63.584 19.321 12.960 1.00 23.24 ? 716 HOH B O 1 -HETATM 4242 O O . HOH D 2 . ? 65.869 5.421 29.859 1.00 29.67 ? 717 HOH B O 1 -HETATM 4243 O O . HOH D 2 . ? 44.388 20.867 47.817 1.00 29.15 ? 720 HOH B O 1 -HETATM 4244 O O . HOH D 2 . ? 53.672 7.347 22.785 1.00 21.59 ? 723 HOH B O 1 -HETATM 4245 O O . HOH D 2 . ? 51.783 25.401 22.934 1.00 4.29 ? 726 HOH B O 1 -HETATM 4246 O O . HOH D 2 . ? 42.300 9.946 31.663 1.00 20.15 ? 729 HOH B O 1 -HETATM 4247 O O . HOH D 2 . ? 45.559 7.250 30.521 1.00 12.62 ? 730 HOH B O 1 -HETATM 4248 O O . HOH D 2 . ? 64.937 26.343 12.380 1.00 14.77 ? 731 HOH B O 1 -HETATM 4249 O O . HOH D 2 . ? 68.562 29.867 12.941 1.00 12.21 ? 732 HOH B O 1 -HETATM 4250 O O . HOH D 2 . ? 49.574 23.526 23.424 1.00 19.79 ? 733 HOH B O 1 -HETATM 4251 O O . HOH D 2 . ? 58.972 31.785 10.836 1.00 15.79 ? 735 HOH B O 1 -HETATM 4252 O O . HOH D 2 . ? 71.971 29.286 16.297 1.00 17.10 ? 737 HOH B O 1 -HETATM 4253 O O . HOH D 2 . ? 59.217 31.996 53.563 1.00 15.94 ? 739 HOH B O 1 -HETATM 4254 O O . HOH D 2 . ? 70.525 28.239 14.068 1.00 14.33 ? 740 HOH B O 1 -HETATM 4255 O O . HOH D 2 . ? 77.240 38.336 37.667 1.00 18.40 ? 743 HOH B O 1 -HETATM 4256 O O . HOH D 2 . ? 46.333 25.236 35.152 1.00 18.00 ? 745 HOH B O 1 -HETATM 4257 O O . HOH D 2 . ? 45.704 6.247 27.952 1.00 17.87 ? 749 HOH B O 1 -HETATM 4258 O O . HOH D 2 . ? 74.808 27.519 29.664 1.00 30.63 ? 752 HOH B O 1 -HETATM 4259 O O . HOH D 2 . ? 69.190 31.397 10.711 1.00 19.32 ? 753 HOH B O 1 -HETATM 4260 O O . HOH D 2 . ? 62.249 12.975 19.674 1.00 16.23 ? 756 HOH B O 1 -HETATM 4261 O O . HOH D 2 . ? 77.295 35.589 37.365 1.00 20.11 ? 757 HOH B O 1 -HETATM 4262 O O . HOH D 2 . ? 76.195 31.666 15.032 1.00 20.96 ? 758 HOH B O 1 -HETATM 4263 O O . HOH D 2 . ? 78.772 42.039 40.309 1.00 19.08 ? 759 HOH B O 1 -HETATM 4264 O O . HOH D 2 . ? 63.706 15.767 16.163 1.00 19.13 ? 761 HOH B O 1 -HETATM 4265 O O . HOH D 2 . ? 70.852 14.899 28.881 1.00 21.18 ? 763 HOH B O 1 -HETATM 4266 O O . HOH D 2 . ? 77.199 21.281 41.218 1.00 21.10 ? 764 HOH B O 1 -HETATM 4267 O O . HOH D 2 . ? 67.499 36.246 52.310 1.00 21.01 ? 765 HOH B O 1 -HETATM 4268 O O . HOH D 2 . ? 45.593 17.607 25.943 1.00 19.63 ? 766 HOH B O 1 -HETATM 4269 O O . HOH D 2 . ? 59.327 42.758 16.981 1.00 20.86 ? 770 HOH B O 1 -HETATM 4270 O O . HOH D 2 . ? 51.060 5.489 28.438 1.00 18.69 ? 772 HOH B O 1 -HETATM 4271 O O . HOH D 2 . ? 71.129 23.010 54.292 1.00 20.31 ? 775 HOH B O 1 -HETATM 4272 O O . HOH D 2 . ? 55.284 -0.073 32.448 1.00 27.20 ? 777 HOH B O 1 -HETATM 4273 O O . HOH D 2 . ? 60.991 28.680 54.512 1.00 20.56 ? 778 HOH B O 1 -HETATM 4274 O O . HOH D 2 . ? 69.837 10.713 40.674 1.00 21.64 ? 779 HOH B O 1 -HETATM 4275 O O . HOH D 2 . ? 72.237 19.960 27.081 1.00 24.12 ? 780 HOH B O 1 -HETATM 4276 O O . HOH D 2 . ? 54.191 38.382 42.447 1.00 21.32 ? 785 HOH B O 1 -HETATM 4277 O O . HOH D 2 . ? 66.933 43.551 14.420 1.00 20.68 ? 786 HOH B O 1 -HETATM 4278 O O . HOH D 2 . ? 69.429 25.728 14.398 1.00 21.10 ? 787 HOH B O 1 -HETATM 4279 O O . HOH D 2 . ? 42.686 7.886 27.632 1.00 22.08 ? 789 HOH B O 1 -HETATM 4280 O O . HOH D 2 . ? 45.652 16.925 47.523 1.00 24.74 ? 790 HOH B O 1 -HETATM 4281 O O . HOH D 2 . ? 63.475 16.615 13.605 1.00 25.87 ? 794 HOH B O 1 -HETATM 4282 O O . HOH D 2 . ? 77.198 46.030 38.154 1.00 21.16 ? 795 HOH B O 1 -HETATM 4283 O O . HOH D 2 . ? 65.170 45.532 23.534 1.00 20.93 ? 796 HOH B O 1 -HETATM 4284 O O . HOH D 2 . ? 70.912 25.452 55.529 1.00 21.45 ? 799 HOH B O 1 -HETATM 4285 O O . HOH D 2 . ? 48.893 31.393 27.414 1.00 22.11 ? 800 HOH B O 1 -HETATM 4286 O O . HOH D 2 . ? 67.686 44.961 24.903 1.00 21.21 ? 802 HOH B O 1 -HETATM 4287 O O . HOH D 2 . ? 57.802 14.508 53.444 1.00 26.13 ? 805 HOH B O 1 -HETATM 4288 O O . HOH D 2 . ? 50.950 41.185 28.240 1.00 21.92 ? 806 HOH B O 1 -HETATM 4289 O O . HOH D 2 . ? 51.896 27.531 47.680 1.00 21.94 ? 807 HOH B O 1 -HETATM 4290 O O . HOH D 2 . ? 53.476 31.629 15.157 1.00 21.16 ? 808 HOH B O 1 -HETATM 4291 O O . HOH D 2 . ? 44.038 10.308 27.999 1.00 25.42 ? 809 HOH B O 1 -HETATM 4292 O O . HOH D 2 . ? 52.484 36.261 9.366 1.00 20.97 ? 814 HOH B O 1 -HETATM 4293 O O . HOH D 2 . ? 70.308 9.211 25.202 1.00 23.35 ? 815 HOH B O 1 -HETATM 4294 O O . HOH D 2 . ? 52.179 3.443 29.771 1.00 19.10 ? 816 HOH B O 1 -HETATM 4295 O O . HOH D 2 . ? 75.944 25.474 31.313 1.00 26.01 ? 823 HOH B O 1 -HETATM 4296 O O . HOH D 2 . ? 51.516 30.318 49.535 1.00 23.10 ? 824 HOH B O 1 -HETATM 4297 O O . HOH D 2 . ? 43.762 8.179 23.349 1.00 25.71 ? 825 HOH B O 1 -HETATM 4298 O O . HOH D 2 . ? 64.784 17.712 55.290 1.00 26.97 ? 828 HOH B O 1 -HETATM 4299 O O . HOH D 2 . ? 59.323 8.245 45.207 1.00 26.59 ? 829 HOH B O 1 -HETATM 4300 O O . HOH D 2 . ? 43.878 26.740 38.548 1.00 22.25 ? 836 HOH B O 1 -HETATM 4301 O O . HOH D 2 . ? 56.345 31.751 33.191 1.00 22.63 ? 842 HOH B O 1 -HETATM 4302 O O . HOH D 2 . ? 51.980 33.302 31.376 1.00 24.22 ? 843 HOH B O 1 -HETATM 4303 O O . HOH D 2 . ? 66.060 6.500 39.685 1.00 27.74 ? 844 HOH B O 1 -HETATM 4304 O O . HOH D 2 . ? 49.057 27.129 27.362 1.00 23.34 ? 845 HOH B O 1 -HETATM 4305 O O . HOH D 2 . ? 69.664 15.751 54.562 1.00 24.14 ? 853 HOH B O 1 -HETATM 4306 O O . HOH D 2 . ? 46.563 28.140 45.664 1.00 24.49 ? 855 HOH B O 1 -HETATM 4307 O O . HOH D 2 . ? 43.834 12.484 31.270 1.00 22.41 ? 856 HOH B O 1 -HETATM 4308 O O . HOH D 2 . ? 58.704 2.440 38.290 1.00 23.70 ? 857 HOH B O 1 -HETATM 4309 O O . HOH D 2 . ? 55.631 5.275 29.479 1.00 25.60 ? 861 HOH B O 1 -HETATM 4310 O O . HOH D 2 . ? 62.708 46.108 42.478 1.00 26.97 ? 862 HOH B O 1 -HETATM 4311 O O . HOH D 2 . ? 46.178 9.825 37.057 1.00 35.81 ? 865 HOH B O 1 -HETATM 4312 O O . HOH D 2 . ? 72.664 13.683 35.046 1.00 26.30 ? 871 HOH B O 1 -HETATM 4313 O O . HOH D 2 . ? 77.587 22.398 47.062 1.00 27.70 ? 872 HOH B O 1 -HETATM 4314 O O . HOH D 2 . ? 73.261 17.018 32.654 1.00 22.54 ? 874 HOH B O 1 -HETATM 4315 O O . HOH D 2 . ? 61.147 23.922 54.561 1.00 25.41 ? 875 HOH B O 1 -HETATM 4316 O O . HOH D 2 . ? 58.527 35.547 44.245 1.00 19.72 ? 876 HOH B O 1 -HETATM 4317 O O . HOH D 2 . ? 53.929 38.261 29.554 1.00 29.32 ? 878 HOH B O 1 -HETATM 4318 O O . HOH D 2 . ? 66.724 24.783 54.716 1.00 22.77 ? 880 HOH B O 1 -HETATM 4319 O O . HOH D 2 . ? 55.151 24.754 54.163 1.00 27.77 ? 881 HOH B O 1 -HETATM 4320 O O . HOH D 2 . ? 64.499 9.544 20.670 1.00 26.66 ? 882 HOH B O 1 -HETATM 4321 O O . HOH D 2 . ? 44.718 26.401 44.399 1.00 24.04 ? 883 HOH B O 1 -HETATM 4322 O O . HOH D 2 . ? 54.764 30.997 52.012 1.00 29.50 ? 884 HOH B O 1 -HETATM 4323 O O . HOH D 2 . ? 64.768 9.468 47.867 1.00 26.71 ? 886 HOH B O 1 -HETATM 4324 O O . HOH D 2 . ? 65.070 7.186 35.711 1.00 25.91 ? 887 HOH B O 1 -HETATM 4325 O O . HOH D 2 . ? 75.476 42.943 23.711 1.00 25.95 ? 893 HOH B O 1 -HETATM 4326 O O . HOH D 2 . ? 68.865 9.640 30.628 1.00 29.43 ? 895 HOH B O 1 -HETATM 4327 O O . HOH D 2 . ? 75.176 46.379 49.946 1.00 28.30 ? 897 HOH B O 1 -HETATM 4328 O O . HOH D 2 . ? 43.034 8.944 39.925 1.00 24.50 ? 899 HOH B O 1 -HETATM 4329 O O . HOH D 2 . ? 48.807 32.553 18.671 1.00 32.79 ? 900 HOH B O 1 -HETATM 4330 O O . HOH D 2 . ? 49.369 11.127 47.157 1.00 24.84 ? 901 HOH B O 1 -HETATM 4331 O O . HOH D 2 . ? 60.943 47.560 37.127 1.00 29.42 ? 902 HOH B O 1 -HETATM 4332 O O . HOH D 2 . ? 72.309 24.979 25.213 1.00 35.30 ? 903 HOH B O 1 -HETATM 4333 O O . HOH D 2 . ? 59.642 40.676 28.678 1.00 29.98 ? 905 HOH B O 1 -HETATM 4334 O O . HOH D 2 . ? 75.155 27.737 54.821 1.00 24.29 ? 906 HOH B O 1 -HETATM 4335 O O . HOH D 2 . ? 63.813 40.509 13.088 1.00 28.29 ? 909 HOH B O 1 -HETATM 4336 O O . HOH D 2 . ? 75.330 33.031 34.515 1.00 25.55 ? 912 HOH B O 1 -HETATM 4337 O O . HOH D 2 . ? 65.520 32.315 53.274 1.00 30.32 ? 918 HOH B O 1 -HETATM 4338 O O . HOH D 2 . ? 75.911 33.969 28.010 1.00 25.85 ? 919 HOH B O 1 -HETATM 4339 O O . HOH D 2 . ? 71.550 45.279 21.991 1.00 28.59 ? 921 HOH B O 1 -HETATM 4340 O O . HOH D 2 . ? 75.409 37.871 44.573 1.00 25.40 ? 922 HOH B O 1 -HETATM 4341 O O . HOH D 2 . ? 68.210 22.457 17.513 1.00 29.06 ? 923 HOH B O 1 -HETATM 4342 O O . HOH D 2 . ? 71.990 25.200 20.918 1.00 29.97 ? 925 HOH B O 1 -HETATM 4343 O O . HOH D 2 . ? 76.978 37.266 22.126 1.00 26.24 ? 931 HOH B O 1 -HETATM 4344 O O . HOH D 2 . ? 76.819 34.789 46.514 1.00 27.27 ? 932 HOH B O 1 -HETATM 4345 O O . HOH D 2 . ? 66.399 21.553 56.569 1.00 25.86 ? 933 HOH B O 1 -HETATM 4346 O O . HOH D 2 . ? 60.545 7.681 49.308 1.00 29.08 ? 935 HOH B O 1 -HETATM 4347 O O . HOH D 2 . ? 42.699 17.680 41.651 1.00 28.58 ? 936 HOH B O 1 -HETATM 4348 O O . HOH D 2 . ? 74.163 27.837 13.170 1.00 28.78 ? 938 HOH B O 1 -HETATM 4349 O O . HOH D 2 . ? 49.378 31.488 22.978 1.00 24.53 ? 939 HOH B O 1 -HETATM 4350 O O . HOH D 2 . ? 42.768 25.033 42.048 1.00 28.61 ? 940 HOH B O 1 -HETATM 4351 O O . HOH D 2 . ? 50.704 25.257 26.165 1.00 27.90 ? 943 HOH B O 1 -HETATM 4352 O O . HOH D 2 . ? 76.994 27.500 52.308 1.00 25.41 ? 944 HOH B O 1 -HETATM 4353 O O . HOH D 2 . ? 79.286 49.538 43.856 1.00 26.55 ? 945 HOH B O 1 -HETATM 4354 O O . HOH D 2 . ? 52.160 41.400 15.011 1.00 33.07 ? 948 HOH B O 1 -HETATM 4355 O O . HOH D 2 . ? 78.279 33.892 43.880 1.00 26.63 ? 949 HOH B O 1 -HETATM 4356 O O . HOH D 2 . ? 67.945 28.881 56.967 1.00 28.27 ? 951 HOH B O 1 -HETATM 4357 O O . HOH D 2 . ? 71.504 11.090 30.528 1.00 28.38 ? 952 HOH B O 1 -HETATM 4358 O O . HOH D 2 . ? 51.797 10.312 19.547 1.00 27.02 ? 953 HOH B O 1 -HETATM 4359 O O . HOH D 2 . ? 75.331 31.946 52.113 1.00 25.35 ? 961 HOH B O 1 -HETATM 4360 O O . HOH D 2 . ? 59.697 43.119 46.235 1.00 28.20 ? 962 HOH B O 1 -HETATM 4361 O O . HOH D 2 . ? 58.266 2.426 34.482 1.00 26.58 ? 964 HOH B O 1 -HETATM 4362 O O . HOH D 2 . ? 56.220 34.852 46.568 1.00 25.97 ? 965 HOH B O 1 -HETATM 4363 O O . HOH D 2 . ? 79.856 24.829 41.209 1.00 28.90 ? 967 HOH B O 1 -HETATM 4364 O O . HOH D 2 . ? 43.464 21.740 33.989 1.00 29.26 ? 970 HOH B O 1 -HETATM 4365 O O . HOH D 2 . ? 79.207 26.218 45.890 1.00 23.27 ? 971 HOH B O 1 -HETATM 4366 O O . HOH D 2 . ? 77.124 41.659 26.197 1.00 26.20 ? 972 HOH B O 1 -HETATM 4367 O O . HOH D 2 . ? 49.337 4.380 26.489 1.00 28.13 ? 974 HOH B O 1 -HETATM 4368 O O . HOH D 2 . ? 70.133 33.619 9.496 1.00 25.93 ? 980 HOH B O 1 -HETATM 4369 O O . HOH D 2 . ? 67.980 52.946 37.832 1.00 28.54 ? 983 HOH B O 1 -HETATM 4370 O O . HOH D 2 . ? 58.561 44.193 38.707 1.00 30.14 ? 985 HOH B O 1 -HETATM 4371 O O . HOH D 2 . ? 52.302 25.683 49.637 1.00 27.13 ? 986 HOH B O 1 -HETATM 4372 O O . HOH D 2 . ? 79.464 39.208 36.033 1.00 29.13 ? 989 HOH B O 1 -HETATM 4373 O O . HOH D 2 . ? 61.120 43.078 31.987 1.00 30.23 ? 991 HOH B O 1 -HETATM 4374 O O . HOH D 2 . ? 77.847 28.767 32.920 1.00 29.67 ? 992 HOH B O 1 -HETATM 4375 O O . HOH D 2 . ? 56.046 5.969 22.957 1.00 30.98 ? 993 HOH B O 1 -HETATM 4376 O O . HOH D 2 . ? 54.881 7.404 48.933 1.00 27.44 ? 994 HOH B O 1 -HETATM 4377 O O . HOH D 2 . ? 78.065 31.479 37.510 1.00 28.22 ? 995 HOH B O 1 -HETATM 4378 O O . HOH D 2 . ? 52.010 10.377 47.592 1.00 28.51 ? 998 HOH B O 1 -HETATM 4379 O O . HOH D 2 . ? 71.714 11.777 36.872 1.00 28.65 ? 1000 HOH B O 1 -HETATM 4380 O O . HOH D 2 . ? 55.112 11.715 51.379 1.00 28.30 ? 1001 HOH B O 1 -HETATM 4381 O O . HOH D 2 . ? 66.905 12.358 18.924 1.00 26.53 ? 1002 HOH B O 1 -HETATM 4382 O O . HOH D 2 . ? 63.199 24.550 56.201 1.00 32.71 ? 1007 HOH B O 1 -HETATM 4383 O O . HOH D 2 . ? 68.277 7.987 28.467 1.00 29.43 ? 1010 HOH B O 1 -HETATM 4384 O O . HOH D 2 . ? 54.673 4.075 42.127 1.00 26.16 ? 1011 HOH B O 1 -HETATM 4385 O O . HOH D 2 . ? 57.771 20.609 57.969 1.00 29.02 ? 1015 HOH B O 1 -HETATM 4386 O O . HOH D 2 . ? 69.375 9.749 45.460 1.00 33.30 ? 1016 HOH B O 1 -HETATM 4387 O O . HOH D 2 . ? 71.984 22.810 23.568 1.00 27.55 ? 1017 HOH B O 1 -HETATM 4388 O O . HOH D 2 . ? 60.866 46.754 40.093 1.00 32.66 ? 1018 HOH B O 1 -HETATM 4389 O O . HOH D 2 . ? 61.762 4.757 44.658 1.00 30.74 ? 1022 HOH B O 1 -HETATM 4390 O O . HOH D 2 . ? 61.124 21.918 56.478 1.00 33.18 ? 1023 HOH B O 1 -HETATM 4391 O O . HOH D 2 . ? 48.877 8.580 20.765 1.00 27.51 ? 1024 HOH B O 1 -HETATM 4392 O O . HOH D 2 . ? 53.306 6.136 26.975 1.00 31.57 ? 1028 HOH B O 1 -HETATM 4393 O O . HOH D 2 . ? 59.029 6.240 25.889 1.00 30.08 ? 1030 HOH B O 1 -# diff --git a/inputs/1KTN.pdb b/inputs/1KTN.pdb deleted file mode 100644 index d7bbbed482a..00000000000 --- a/inputs/1KTN.pdb +++ /dev/null @@ -1,4766 +0,0 @@ -HEADER STRUCTURAL GENOMICS, LYASE 16-JAN-02 1KTN -TITLE STRUCTURAL GENOMICS, PROTEIN EC1535 -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: 2-DEOXYRIBOSE-5-PHOSPHATE ALDOLASE; -COMPND 3 CHAIN: A, B; -COMPND 4 EC: 4.1.2.4; -COMPND 5 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; -SOURCE 3 ORGANISM_TAXID: 562; -SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); -SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; -SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); -SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID -KEYWDS BETA BARREL, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, -KEYWDS 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS, MCSG, LYASE -EXPDTA X-RAY DIFFRACTION -AUTHOR R.ZHANG,A.JOACHIMIAK,A.EDWARDS,T.SKARINA,E.EVDOKIMOVA,A.SAVCHENKO, -AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) -REVDAT 5 14-FEB-24 1KTN 1 REMARK -REVDAT 4 11-OCT-17 1KTN 1 REMARK -REVDAT 3 24-FEB-09 1KTN 1 VERSN -REVDAT 2 18-JAN-05 1KTN 1 AUTHOR KEYWDS REMARK -REVDAT 1 14-AUG-02 1KTN 0 -JRNL AUTH R.ZHANG,A.JOACHIMIAK,A.EDWARDS,T.SKARINA,E.EVDOKIMOVA, -JRNL AUTH 2 A.SAVCHENKO -JRNL TITL THE 1.5A CRYSTAL STRUCTURE OF 2-DEOXYRIBOSE-5-PHOSPHATE -JRNL TITL 2 ALDLASE -JRNL REF TO BE PUBLISHED -JRNL REFN -REMARK 2 -REMARK 2 RESOLUTION. 1.40 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : CNS -REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- -REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, -REMARK 3 : READ,RICE,SIMONSON,WARREN -REMARK 3 -REMARK 3 REFINEMENT TARGET : NULL -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 38.65 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 354397.400 -REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 88.9 -REMARK 3 NUMBER OF REFLECTIONS : 88731 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING SET) : 0.186 -REMARK 3 FREE R VALUE : 0.205 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 -REMARK 3 FREE R VALUE TEST SET COUNT : 4458 -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.003 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 6 -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.40 -REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.49 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 66.60 -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 10460 -REMARK 3 BIN R VALUE (WORKING SET) : 0.1870 -REMARK 3 BIN FREE R VALUE : 0.1990 -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.00 -REMARK 3 BIN FREE R VALUE TEST SET COUNT : 553 -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.008 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 3762 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 0 -REMARK 3 SOLVENT ATOMS : 631 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 9.10 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 10.30 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : 0.70000 -REMARK 3 B22 (A**2) : -0.14000 -REMARK 3 B33 (A**2) : -0.56000 -REMARK 3 B12 (A**2) : 0.00000 -REMARK 3 B13 (A**2) : 0.68000 -REMARK 3 B23 (A**2) : 0.00000 -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.14 -REMARK 3 ESD FROM SIGMAA (A) : 0.03 -REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.16 -REMARK 3 ESD FROM C-V SIGMAA (A) : 0.04 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.004 -REMARK 3 BOND ANGLES (DEGREES) : 1.300 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.90 -REMARK 3 IMPROPER ANGLES (DEGREES) : 0.880 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 BULK SOLVENT MODELING. -REMARK 3 METHOD USED : FLAT MODEL -REMARK 3 KSOL : 0.37 -REMARK 3 BSOL : 44.68 -REMARK 3 -REMARK 3 NCS MODEL : NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT -REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL -REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM -REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM -REMARK 3 PARAMETER FILE 3 : NULL -REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP -REMARK 3 TOPOLOGY FILE 2 : ATP.TOP -REMARK 3 TOPOLOGY FILE 3 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1KTN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JAN-02. -REMARK 100 THE DEPOSITION ID IS D_1000015332. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 01-JAN-01 -REMARK 200 TEMPERATURE (KELVIN) : 100 -REMARK 200 PH : 8.4 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : APS -REMARK 200 BEAMLINE : 19-BM -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9798, 0.9650 -REMARK 200 MONOCHROMATOR : SI 111 CHANNEL -REMARK 200 OPTICS : MIRRORS -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : SBC-1 -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK -REMARK 200 DATA SCALING SOFTWARE : HKL-2000 -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 98786 -REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 -REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 -REMARK 200 DATA REDUNDANCY : 6.000 -REMARK 200 R MERGE (I) : 0.07800 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 20.0000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.45 -REMARK 200 COMPLETENESS FOR SHELL (%) : 98.2 -REMARK 200 DATA REDUNDANCY IN SHELL : 4.46 -REMARK 200 R MERGE FOR SHELL (I) : 0.30900 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 2.440 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: MAD -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD -REMARK 200 SOFTWARE USED: CNS -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 48.31 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.38 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG4K, 0.2M MGCL2, 0.1M TRIS_HCL, -REMARK 280 PH 8.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X,Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 26.77900 -REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 300 REMARK: EC1535 EXISTED AS MONOMER. CHAIN A -REMARK 300 AND CHAIN B REPRESENT TWO MOLECULES -REMARK 300 IN ASYMMETRIC UNIT. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 MET B 1 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 LYS A 146 -57.44 66.81 -REMARK 500 ASN A 176 -129.30 -118.44 -REMARK 500 SER A 238 -77.68 -135.52 -REMARK 500 GLU B 141 65.47 61.64 -REMARK 500 LYS B 146 -58.26 66.07 -REMARK 500 ASN B 176 -131.63 -120.11 -REMARK 500 ALA B 228 63.37 -69.98 -REMARK 500 SER B 238 -77.89 -133.08 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: APC077 RELATED DB: TARGETDB -DBREF 1KTN A 1 250 UNP P0A6L0 DEOC_ECOLI 1 250 -DBREF 1KTN B 1 250 UNP P0A6L0 DEOC_ECOLI 1 250 -SEQRES 1 A 250 MET THR ASP LEU LYS ALA SER SER LEU ARG ALA LEU LYS -SEQRES 2 A 250 LEU MET ASP LEU THR THR LEU ASN ASP ASP ASP THR ASP -SEQRES 3 A 250 GLU LYS VAL ILE ALA LEU CYS HIS GLN ALA LYS THR PRO -SEQRES 4 A 250 VAL GLY ASN THR ALA ALA ILE CYS ILE TYR PRO ARG PHE -SEQRES 5 A 250 ILE PRO ILE ALA ARG LYS THR LEU LYS GLU GLN GLY THR -SEQRES 6 A 250 PRO GLU ILE ARG ILE ALA THR VAL THR ASN PHE PRO HIS -SEQRES 7 A 250 GLY ASN ASP ASP ILE ASP ILE ALA LEU ALA GLU THR ARG -SEQRES 8 A 250 ALA ALA ILE ALA TYR GLY ALA ASP GLU VAL ASP VAL VAL -SEQRES 9 A 250 PHE PRO TYR ARG ALA LEU MET ALA GLY ASN GLU GLN VAL -SEQRES 10 A 250 GLY PHE ASP LEU VAL LYS ALA CYS LYS GLU ALA CYS ALA -SEQRES 11 A 250 ALA ALA ASN VAL LEU LEU LYS VAL ILE ILE GLU THR GLY -SEQRES 12 A 250 GLU LEU LYS ASP GLU ALA LEU ILE ARG LYS ALA SER GLU -SEQRES 13 A 250 ILE SER ILE LYS ALA GLY ALA ASP PHE ILE LYS THR SER -SEQRES 14 A 250 THR GLY LYS VAL ALA VAL ASN ALA THR PRO GLU SER ALA -SEQRES 15 A 250 ARG ILE MET MET GLU VAL ILE ARG ASP MET GLY VAL GLU -SEQRES 16 A 250 LYS THR VAL GLY PHE LYS PRO ALA GLY GLY VAL ARG THR -SEQRES 17 A 250 ALA GLU ASP ALA GLN LYS TYR LEU ALA ILE ALA ASP GLU -SEQRES 18 A 250 LEU PHE GLY ALA ASP TRP ALA ASP ALA ARG HIS TYR ARG -SEQRES 19 A 250 PHE GLY ALA SER SER LEU LEU ALA SER LEU LEU LYS ALA -SEQRES 20 A 250 LEU GLY HIS -SEQRES 1 B 250 MET THR ASP LEU LYS ALA SER SER LEU ARG ALA LEU LYS -SEQRES 2 B 250 LEU MET ASP LEU THR THR LEU ASN ASP ASP ASP THR ASP -SEQRES 3 B 250 GLU LYS VAL ILE ALA LEU CYS HIS GLN ALA LYS THR PRO -SEQRES 4 B 250 VAL GLY ASN THR ALA ALA ILE CYS ILE TYR PRO ARG PHE -SEQRES 5 B 250 ILE PRO ILE ALA ARG LYS THR LEU LYS GLU GLN GLY THR -SEQRES 6 B 250 PRO GLU ILE ARG ILE ALA THR VAL THR ASN PHE PRO HIS -SEQRES 7 B 250 GLY ASN ASP ASP ILE ASP ILE ALA LEU ALA GLU THR ARG -SEQRES 8 B 250 ALA ALA ILE ALA TYR GLY ALA ASP GLU VAL ASP VAL VAL -SEQRES 9 B 250 PHE PRO TYR ARG ALA LEU MET ALA GLY ASN GLU GLN VAL -SEQRES 10 B 250 GLY PHE ASP LEU VAL LYS ALA CYS LYS GLU ALA CYS ALA -SEQRES 11 B 250 ALA ALA ASN VAL LEU LEU LYS VAL ILE ILE GLU THR GLY -SEQRES 12 B 250 GLU LEU LYS ASP GLU ALA LEU ILE ARG LYS ALA SER GLU -SEQRES 13 B 250 ILE SER ILE LYS ALA GLY ALA ASP PHE ILE LYS THR SER -SEQRES 14 B 250 THR GLY LYS VAL ALA VAL ASN ALA THR PRO GLU SER ALA -SEQRES 15 B 250 ARG ILE MET MET GLU VAL ILE ARG ASP MET GLY VAL GLU -SEQRES 16 B 250 LYS THR VAL GLY PHE LYS PRO ALA GLY GLY VAL ARG THR -SEQRES 17 B 250 ALA GLU ASP ALA GLN LYS TYR LEU ALA ILE ALA ASP GLU -SEQRES 18 B 250 LEU PHE GLY ALA ASP TRP ALA ASP ALA ARG HIS TYR ARG -SEQRES 19 B 250 PHE GLY ALA SER SER LEU LEU ALA SER LEU LEU LYS ALA -SEQRES 20 B 250 LEU GLY HIS -FORMUL 3 HOH *631(H2 O) -HELIX 1 1 MET A 1 LYS A 13 1 13 -HELIX 2 2 THR A 25 ALA A 36 1 12 -HELIX 3 3 TYR A 49 ARG A 51 5 3 -HELIX 4 4 PHE A 52 GLN A 63 1 12 -HELIX 5 5 ASP A 82 GLY A 97 1 16 -HELIX 6 6 PRO A 106 ALA A 112 1 7 -HELIX 7 7 GLU A 115 ALA A 132 1 18 -HELIX 8 8 GLU A 141 LYS A 146 1 6 -HELIX 9 9 ASP A 147 ALA A 161 1 15 -HELIX 10 10 THR A 178 GLY A 193 1 16 -HELIX 11 11 THR A 208 GLY A 224 1 17 -HELIX 12 12 SER A 239 LEU A 248 1 10 -HELIX 13 13 THR B 2 LYS B 13 1 12 -HELIX 14 14 THR B 25 ALA B 36 1 12 -HELIX 15 15 TYR B 49 ARG B 51 5 3 -HELIX 16 16 PHE B 52 GLN B 63 1 12 -HELIX 17 17 ASP B 82 GLY B 97 1 16 -HELIX 18 18 PRO B 106 ALA B 112 1 7 -HELIX 19 19 GLU B 115 ALA B 132 1 18 -HELIX 20 20 GLU B 141 LYS B 146 1 6 -HELIX 21 21 ASP B 147 ALA B 161 1 15 -HELIX 22 22 THR B 178 GLY B 193 1 16 -HELIX 23 23 THR B 208 GLY B 224 1 17 -HELIX 24 24 SER B 239 LEU B 248 1 10 -SHEET 1 A 8 GLY A 199 LYS A 201 0 -SHEET 2 A 8 PHE A 165 LYS A 167 1 N ILE A 166 O GLY A 199 -SHEET 3 A 8 LEU A 135 ILE A 139 1 N VAL A 138 O LYS A 167 -SHEET 4 A 8 GLU A 100 VAL A 104 1 N VAL A 103 O ILE A 139 -SHEET 5 A 8 ARG A 69 THR A 74 1 N THR A 72 O ASP A 102 -SHEET 6 A 8 ALA A 45 ILE A 48 1 N ILE A 46 O ALA A 71 -SHEET 7 A 8 MET A 15 THR A 18 1 N LEU A 17 O ALA A 45 -SHEET 8 A 8 PHE A 235 ALA A 237 1 O PHE A 235 N ASP A 16 -SHEET 1 B 2 LYS A 37 THR A 38 0 -SHEET 2 B 2 GLY A 41 ASN A 42 -1 O GLY A 41 N THR A 38 -SHEET 1 C 8 GLY B 199 LYS B 201 0 -SHEET 2 C 8 PHE B 165 LYS B 167 1 N ILE B 166 O GLY B 199 -SHEET 3 C 8 LEU B 135 ILE B 139 1 N VAL B 138 O LYS B 167 -SHEET 4 C 8 GLU B 100 VAL B 104 1 N VAL B 103 O ILE B 139 -SHEET 5 C 8 ARG B 69 THR B 74 1 N THR B 72 O ASP B 102 -SHEET 6 C 8 ALA B 45 ILE B 48 1 N ILE B 46 O ALA B 71 -SHEET 7 C 8 MET B 15 THR B 18 1 N LEU B 17 O ALA B 45 -SHEET 8 C 8 PHE B 235 ALA B 237 1 O PHE B 235 N ASP B 16 -SHEET 1 D 2 LYS B 37 THR B 38 0 -SHEET 2 D 2 GLY B 41 ASN B 42 -1 O GLY B 41 N THR B 38 -CISPEP 1 PHE A 76 PRO A 77 0 -0.11 -CISPEP 2 PHE B 76 PRO B 77 0 -0.15 -CRYST1 62.566 53.558 81.365 90.00 109.97 90.00 P 1 21 1 4 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.015983 0.000000 0.005808 0.00000 -SCALE2 0.000000 0.018671 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.013077 0.00000 -ATOM 1 N MET A 1 18.268 21.675 -4.704 1.00 24.35 N -ATOM 2 CA MET A 1 17.473 20.620 -5.398 1.00 24.18 C -ATOM 3 C MET A 1 18.135 19.255 -5.230 1.00 23.74 C -ATOM 4 O MET A 1 18.921 19.044 -4.309 1.00 23.70 O -ATOM 5 CB MET A 1 17.352 20.941 -6.890 1.00 24.80 C -ATOM 6 CG MET A 1 18.682 20.945 -7.635 1.00 25.50 C -ATOM 7 SD MET A 1 18.473 20.979 -9.426 1.00 26.82 S -ATOM 8 CE MET A 1 18.396 22.741 -9.733 1.00 26.45 C -ATOM 9 N THR A 2 17.813 18.334 -6.132 1.00 23.16 N -ATOM 10 CA THR A 2 18.379 16.992 -6.089 1.00 22.44 C -ATOM 11 C THR A 2 19.884 17.048 -6.328 1.00 21.79 C -ATOM 12 O THR A 2 20.665 16.531 -5.529 1.00 21.79 O -ATOM 13 CB THR A 2 17.744 16.089 -7.160 1.00 22.58 C -ATOM 14 OG1 THR A 2 16.317 16.140 -7.042 1.00 22.80 O -ATOM 15 CG2 THR A 2 18.211 14.651 -6.987 1.00 22.60 C -ATOM 16 N ASP A 3 20.288 17.675 -7.430 1.00 20.98 N -ATOM 17 CA ASP A 3 21.705 17.790 -7.755 1.00 20.03 C -ATOM 18 C ASP A 3 22.448 18.509 -6.635 1.00 19.09 C -ATOM 19 O ASP A 3 23.529 18.087 -6.226 1.00 18.92 O -ATOM 20 CB ASP A 3 21.905 18.554 -9.067 1.00 20.57 C -ATOM 21 CG ASP A 3 21.375 17.798 -10.274 1.00 20.94 C -ATOM 22 OD1 ASP A 3 21.707 16.603 -10.427 1.00 21.21 O -ATOM 23 OD2 ASP A 3 20.636 18.405 -11.080 1.00 21.46 O -ATOM 24 N LEU A 4 21.860 19.595 -6.142 1.00 18.00 N -ATOM 25 CA LEU A 4 22.475 20.373 -5.072 1.00 16.80 C -ATOM 26 C LEU A 4 22.657 19.542 -3.808 1.00 16.10 C -ATOM 27 O LEU A 4 23.699 19.622 -3.156 1.00 15.76 O -ATOM 28 CB LEU A 4 21.632 21.614 -4.760 1.00 16.72 C -ATOM 29 CG LEU A 4 22.188 22.554 -3.687 1.00 16.58 C -ATOM 30 CD1 LEU A 4 23.618 22.958 -4.032 1.00 16.41 C -ATOM 31 CD2 LEU A 4 21.296 23.781 -3.581 1.00 16.72 C -ATOM 32 N LYS A 5 21.646 18.753 -3.452 1.00 15.26 N -ATOM 33 CA LYS A 5 21.738 17.911 -2.264 1.00 14.53 C -ATOM 34 C LYS A 5 22.850 16.884 -2.432 1.00 13.75 C -ATOM 35 O LYS A 5 23.616 16.636 -1.506 1.00 13.41 O -ATOM 36 CB LYS A 5 20.416 17.185 -1.999 1.00 15.00 C -ATOM 37 CG LYS A 5 19.336 18.052 -1.373 1.00 15.64 C -ATOM 38 CD LYS A 5 18.171 17.196 -0.893 1.00 16.20 C -ATOM 39 CE LYS A 5 17.178 18.011 -0.084 1.00 16.53 C -ATOM 40 NZ LYS A 5 16.090 17.164 0.479 1.00 17.09 N -ATOM 41 N ALA A 6 22.931 16.290 -3.618 1.00 13.02 N -ATOM 42 CA ALA A 6 23.954 15.290 -3.899 1.00 12.52 C -ATOM 43 C ALA A 6 25.356 15.883 -3.796 1.00 12.04 C -ATOM 44 O ALA A 6 26.250 15.277 -3.204 1.00 11.96 O -ATOM 45 CB ALA A 6 23.738 14.698 -5.286 1.00 12.58 C -ATOM 46 N SER A 7 25.555 17.066 -4.372 1.00 11.47 N -ATOM 47 CA SER A 7 26.863 17.711 -4.324 1.00 10.97 C -ATOM 48 C SER A 7 27.209 18.125 -2.899 1.00 10.46 C -ATOM 49 O SER A 7 28.374 18.105 -2.508 1.00 10.09 O -ATOM 50 CB SER A 7 26.903 18.938 -5.246 1.00 11.25 C -ATOM 51 OG SER A 7 26.014 19.954 -4.817 1.00 12.06 O -ATOM 52 N SER A 8 26.196 18.486 -2.119 1.00 9.84 N -ATOM 53 CA SER A 8 26.418 18.904 -0.740 1.00 9.42 C -ATOM 54 C SER A 8 26.921 17.763 0.137 1.00 9.14 C -ATOM 55 O SER A 8 27.819 17.957 0.954 1.00 8.86 O -ATOM 56 CB SER A 8 25.134 19.490 -0.151 1.00 9.51 C -ATOM 57 OG SER A 8 24.778 20.678 -0.840 1.00 9.67 O -ATOM 58 N LEU A 9 26.350 16.573 -0.018 1.00 8.83 N -ATOM 59 CA LEU A 9 26.808 15.447 0.786 1.00 8.59 C -ATOM 60 C LEU A 9 28.223 15.080 0.351 1.00 8.47 C -ATOM 61 O LEU A 9 29.078 14.748 1.174 1.00 8.31 O -ATOM 62 CB LEU A 9 25.885 14.237 0.612 1.00 8.66 C -ATOM 63 CG LEU A 9 26.264 13.005 1.444 1.00 8.48 C -ATOM 64 CD1 LEU A 9 26.225 13.334 2.935 1.00 8.56 C -ATOM 65 CD2 LEU A 9 25.301 11.867 1.128 1.00 8.78 C -ATOM 66 N ARG A 10 28.467 15.151 -0.951 1.00 8.28 N -ATOM 67 CA ARG A 10 29.777 14.830 -1.495 1.00 8.22 C -ATOM 68 C ARG A 10 30.827 15.796 -0.950 1.00 7.80 C -ATOM 69 O ARG A 10 31.911 15.382 -0.534 1.00 7.64 O -ATOM 70 CB ARG A 10 29.737 14.913 -3.020 1.00 8.99 C -ATOM 71 CG ARG A 10 30.988 14.396 -3.695 1.00 9.92 C -ATOM 72 CD ARG A 10 30.940 14.625 -5.192 1.00 11.09 C -ATOM 73 NE ARG A 10 32.096 14.032 -5.851 1.00 12.26 N -ATOM 74 CZ ARG A 10 32.449 14.281 -7.107 1.00 12.83 C -ATOM 75 NH1 ARG A 10 31.733 15.117 -7.844 1.00 13.25 N -ATOM 76 NH2 ARG A 10 33.518 13.690 -7.623 1.00 13.48 N -ATOM 77 N ALA A 11 30.496 17.084 -0.950 1.00 7.39 N -ATOM 78 CA ALA A 11 31.402 18.113 -0.452 1.00 7.07 C -ATOM 79 C ALA A 11 31.665 17.944 1.043 1.00 6.84 C -ATOM 80 O ALA A 11 32.788 18.145 1.510 1.00 6.86 O -ATOM 81 CB ALA A 11 30.823 19.497 -0.728 1.00 7.06 C -ATOM 82 N LEU A 12 30.628 17.577 1.791 1.00 6.69 N -ATOM 83 CA LEU A 12 30.751 17.375 3.230 1.00 6.47 C -ATOM 84 C LEU A 12 31.800 16.303 3.515 1.00 6.37 C -ATOM 85 O LEU A 12 32.662 16.470 4.379 1.00 6.18 O -ATOM 86 CB LEU A 12 29.390 16.962 3.815 1.00 6.61 C -ATOM 87 CG LEU A 12 29.277 16.690 5.322 1.00 6.67 C -ATOM 88 CD1 LEU A 12 27.830 16.857 5.765 1.00 6.78 C -ATOM 89 CD2 LEU A 12 29.778 15.289 5.648 1.00 6.67 C -ATOM 90 N LYS A 13 31.730 15.208 2.768 1.00 6.41 N -ATOM 91 CA LYS A 13 32.658 14.102 2.949 1.00 6.68 C -ATOM 92 C LYS A 13 34.074 14.385 2.443 1.00 6.51 C -ATOM 93 O LYS A 13 34.990 13.594 2.674 1.00 6.72 O -ATOM 94 CB LYS A 13 32.088 12.844 2.289 1.00 7.27 C -ATOM 95 CG LYS A 13 30.814 12.354 2.974 1.00 7.91 C -ATOM 96 CD LYS A 13 30.278 11.076 2.356 1.00 8.87 C -ATOM 97 CE LYS A 13 29.075 10.570 3.139 1.00 9.25 C -ATOM 98 NZ LYS A 13 28.581 9.275 2.599 1.00 10.01 N -ATOM 99 N LEU A 14 34.250 15.518 1.768 1.00 6.44 N -ATOM 100 CA LEU A 14 35.555 15.921 1.247 1.00 6.14 C -ATOM 101 C LEU A 14 36.091 17.123 2.022 1.00 6.26 C -ATOM 102 O LEU A 14 37.135 17.674 1.682 1.00 5.91 O -ATOM 103 CB LEU A 14 35.448 16.296 -0.235 1.00 6.29 C -ATOM 104 CG LEU A 14 35.114 15.189 -1.234 1.00 6.46 C -ATOM 105 CD1 LEU A 14 34.897 15.801 -2.611 1.00 6.78 C -ATOM 106 CD2 LEU A 14 36.236 14.163 -1.261 1.00 6.53 C -ATOM 107 N MET A 15 35.383 17.528 3.067 1.00 6.13 N -ATOM 108 CA MET A 15 35.803 18.686 3.843 1.00 6.53 C -ATOM 109 C MET A 15 36.959 18.486 4.812 1.00 6.29 C -ATOM 110 O MET A 15 37.052 17.465 5.494 1.00 6.15 O -ATOM 111 CB MET A 15 34.628 19.247 4.659 1.00 7.57 C -ATOM 112 CG MET A 15 33.729 20.241 3.937 1.00 8.83 C -ATOM 113 SD MET A 15 32.572 21.057 5.073 1.00 10.70 S -ATOM 114 CE MET A 15 33.699 21.833 6.165 1.00 9.41 C -ATOM 115 N ASP A 16 37.852 19.470 4.833 1.00 5.94 N -ATOM 116 CA ASP A 16 38.936 19.516 5.806 1.00 5.71 C -ATOM 117 C ASP A 16 38.303 20.576 6.715 1.00 5.53 C -ATOM 118 O ASP A 16 38.476 21.774 6.484 1.00 5.78 O -ATOM 119 CB ASP A 16 40.233 20.065 5.195 1.00 5.94 C -ATOM 120 CG ASP A 16 41.118 18.979 4.596 1.00 5.88 C -ATOM 121 OD1 ASP A 16 40.659 17.825 4.469 1.00 6.14 O -ATOM 122 OD2 ASP A 16 42.282 19.286 4.247 1.00 5.94 O -ATOM 123 N LEU A 17 37.525 20.137 7.705 1.00 5.47 N -ATOM 124 CA LEU A 17 36.846 21.059 8.620 1.00 5.63 C -ATOM 125 C LEU A 17 37.911 21.826 9.387 1.00 5.66 C -ATOM 126 O LEU A 17 38.674 21.256 10.167 1.00 5.52 O -ATOM 127 CB LEU A 17 35.924 20.289 9.565 1.00 6.04 C -ATOM 128 CG LEU A 17 35.071 21.154 10.498 1.00 6.51 C -ATOM 129 CD1 LEU A 17 34.223 22.132 9.697 1.00 7.02 C -ATOM 130 CD2 LEU A 17 34.182 20.257 11.337 1.00 6.67 C -ATOM 131 N THR A 18 37.911 23.137 9.193 1.00 5.90 N -ATOM 132 CA THR A 18 38.947 23.998 9.734 1.00 6.42 C -ATOM 133 C THR A 18 38.674 25.029 10.820 1.00 6.79 C -ATOM 134 O THR A 18 37.605 25.628 10.886 1.00 7.10 O -ATOM 135 CB THR A 18 39.578 24.773 8.555 1.00 6.29 C -ATOM 136 OG1 THR A 18 39.928 23.853 7.517 1.00 6.48 O -ATOM 137 CG2 THR A 18 40.812 25.544 8.991 1.00 6.67 C -ATOM 138 N THR A 19 39.683 25.220 11.664 1.00 7.28 N -ATOM 139 CA THR A 19 39.678 26.262 12.678 1.00 7.75 C -ATOM 140 C THR A 19 41.148 26.630 12.840 1.00 7.81 C -ATOM 141 O THR A 19 41.978 25.805 13.232 1.00 7.62 O -ATOM 142 CB THR A 19 39.049 25.841 14.039 1.00 7.86 C -ATOM 143 OG1 THR A 19 38.889 27.019 14.847 1.00 9.24 O -ATOM 144 CG2 THR A 19 39.917 24.835 14.786 1.00 8.70 C -ATOM 145 N LEU A 20 41.467 27.862 12.458 1.00 8.46 N -ATOM 146 CA LEU A 20 42.824 28.388 12.535 1.00 9.21 C -ATOM 147 C LEU A 20 42.715 29.835 12.991 1.00 10.33 C -ATOM 148 O LEU A 20 43.042 30.759 12.250 1.00 10.89 O -ATOM 149 CB LEU A 20 43.496 28.318 11.158 1.00 8.87 C -ATOM 150 CG LEU A 20 43.723 26.917 10.577 1.00 8.44 C -ATOM 151 CD1 LEU A 20 44.128 27.018 9.114 1.00 8.43 C -ATOM 152 CD2 LEU A 20 44.797 26.197 11.381 1.00 8.35 C -ATOM 153 N ASN A 21 42.257 30.020 14.222 1.00 11.31 N -ATOM 154 CA ASN A 21 42.068 31.351 14.775 1.00 12.50 C -ATOM 155 C ASN A 21 43.061 31.638 15.886 1.00 13.11 C -ATOM 156 O ASN A 21 43.581 30.723 16.525 1.00 13.04 O -ATOM 157 CB ASN A 21 40.646 31.478 15.316 1.00 12.99 C -ATOM 158 CG ASN A 21 39.602 31.082 14.296 1.00 13.46 C -ATOM 159 OD1 ASN A 21 38.670 30.338 14.601 1.00 14.25 O -ATOM 160 ND2 ASN A 21 39.750 31.579 13.075 1.00 13.74 N -ATOM 161 N ASP A 22 43.309 32.920 16.122 1.00 13.99 N -ATOM 162 CA ASP A 22 44.244 33.327 17.156 1.00 14.89 C -ATOM 163 C ASP A 22 43.703 33.013 18.546 1.00 14.97 C -ATOM 164 O ASP A 22 44.467 32.929 19.506 1.00 15.38 O -ATOM 165 CB ASP A 22 44.539 34.823 17.042 1.00 15.80 C -ATOM 166 CG ASP A 22 45.106 35.201 15.691 1.00 16.67 C -ATOM 167 OD1 ASP A 22 46.038 34.511 15.225 1.00 17.35 O -ATOM 168 OD2 ASP A 22 44.625 36.188 15.097 1.00 17.60 O -ATOM 169 N ASP A 23 42.390 32.830 18.649 1.00 14.96 N -ATOM 170 CA ASP A 23 41.770 32.538 19.937 1.00 14.92 C -ATOM 171 C ASP A 23 41.379 31.071 20.091 1.00 14.53 C -ATOM 172 O ASP A 23 40.539 30.727 20.920 1.00 14.36 O -ATOM 173 CB ASP A 23 40.546 33.442 20.147 1.00 15.81 C -ATOM 174 CG ASP A 23 39.391 33.094 19.229 1.00 16.44 C -ATOM 175 OD1 ASP A 23 39.642 32.628 18.098 1.00 17.10 O -ATOM 176 OD2 ASP A 23 38.226 33.301 19.634 1.00 17.35 O -ATOM 177 N ASP A 24 41.999 30.203 19.297 1.00 13.84 N -ATOM 178 CA ASP A 24 41.707 28.778 19.382 1.00 13.52 C -ATOM 179 C ASP A 24 42.186 28.186 20.705 1.00 12.93 C -ATOM 180 O ASP A 24 43.186 28.625 21.277 1.00 12.71 O -ATOM 181 CB ASP A 24 42.355 28.031 18.214 1.00 13.95 C -ATOM 182 CG ASP A 24 41.339 27.563 17.194 1.00 14.69 C -ATOM 183 OD1 ASP A 24 40.576 28.409 16.684 1.00 14.75 O -ATOM 184 OD2 ASP A 24 41.303 26.344 16.905 1.00 15.69 O -ATOM 185 N THR A 25 41.461 27.180 21.182 1.00 12.40 N -ATOM 186 CA THR A 25 41.780 26.508 22.438 1.00 12.17 C -ATOM 187 C THR A 25 41.482 25.026 22.286 1.00 12.00 C -ATOM 188 O THR A 25 40.868 24.614 21.304 1.00 11.61 O -ATOM 189 CB THR A 25 40.910 27.028 23.590 1.00 12.24 C -ATOM 190 OG1 THR A 25 39.531 26.783 23.283 1.00 12.44 O -ATOM 191 CG2 THR A 25 41.131 28.518 23.803 1.00 12.54 C -ATOM 192 N ASP A 26 41.905 24.227 23.262 1.00 11.99 N -ATOM 193 CA ASP A 26 41.649 22.793 23.213 1.00 12.16 C -ATOM 194 C ASP A 26 40.141 22.570 23.161 1.00 12.32 C -ATOM 195 O ASP A 26 39.654 21.709 22.430 1.00 12.05 O -ATOM 196 CB ASP A 26 42.224 22.086 24.449 1.00 12.39 C -ATOM 197 CG ASP A 26 43.742 22.107 24.490 1.00 12.82 C -ATOM 198 OD1 ASP A 26 44.376 22.309 23.434 1.00 13.04 O -ATOM 199 OD2 ASP A 26 44.309 21.904 25.586 1.00 13.17 O -ATOM 200 N GLU A 27 39.405 23.361 23.939 1.00 12.39 N -ATOM 201 CA GLU A 27 37.951 23.256 23.986 1.00 12.67 C -ATOM 202 C GLU A 27 37.314 23.492 22.619 1.00 12.11 C -ATOM 203 O GLU A 27 36.417 22.755 22.205 1.00 11.95 O -ATOM 204 CB GLU A 27 37.383 24.260 24.996 1.00 13.74 C -ATOM 205 CG GLU A 27 35.865 24.371 24.975 1.00 15.61 C -ATOM 206 CD GLU A 27 35.331 25.371 25.987 1.00 16.55 C -ATOM 207 OE1 GLU A 27 35.743 26.551 25.940 1.00 17.47 O -ATOM 208 OE2 GLU A 27 34.495 24.975 26.828 1.00 17.63 O -ATOM 209 N LYS A 28 37.774 24.524 21.920 1.00 11.64 N -ATOM 210 CA LYS A 28 37.228 24.839 20.606 1.00 11.35 C -ATOM 211 C LYS A 28 37.568 23.761 19.587 1.00 10.66 C -ATOM 212 O LYS A 28 36.783 23.488 18.681 1.00 10.64 O -ATOM 213 CB LYS A 28 37.737 26.199 20.132 1.00 11.98 C -ATOM 214 CG LYS A 28 37.184 27.350 20.956 1.00 12.99 C -ATOM 215 CD LYS A 28 37.761 28.689 20.538 1.00 13.69 C -ATOM 216 CE LYS A 28 37.241 29.789 21.447 1.00 14.39 C -ATOM 217 NZ LYS A 28 37.818 31.117 21.121 1.00 15.20 N -ATOM 218 N VAL A 29 38.735 23.145 19.733 1.00 10.07 N -ATOM 219 CA VAL A 29 39.128 22.090 18.812 1.00 9.57 C -ATOM 220 C VAL A 29 38.304 20.836 19.093 1.00 9.50 C -ATOM 221 O VAL A 29 37.926 20.118 18.172 1.00 9.18 O -ATOM 222 CB VAL A 29 40.636 21.785 18.927 1.00 9.45 C -ATOM 223 CG1 VAL A 29 40.978 20.523 18.152 1.00 9.45 C -ATOM 224 CG2 VAL A 29 41.434 22.964 18.387 1.00 9.49 C -ATOM 225 N ILE A 30 38.019 20.580 20.368 1.00 9.40 N -ATOM 226 CA ILE A 30 37.215 19.421 20.738 1.00 9.44 C -ATOM 227 C ILE A 30 35.822 19.590 20.132 1.00 9.38 C -ATOM 228 O ILE A 30 35.227 18.634 19.631 1.00 9.38 O -ATOM 229 CB ILE A 30 37.124 19.288 22.276 1.00 9.59 C -ATOM 230 CG1 ILE A 30 38.500 18.905 22.826 1.00 9.92 C -ATOM 231 CG2 ILE A 30 36.069 18.256 22.663 1.00 9.99 C -ATOM 232 CD1 ILE A 30 38.601 18.932 24.337 1.00 10.03 C -ATOM 233 N ALA A 31 35.315 20.818 20.168 1.00 9.33 N -ATOM 234 CA ALA A 31 34.005 21.118 19.601 1.00 9.24 C -ATOM 235 C ALA A 31 34.043 20.895 18.091 1.00 9.24 C -ATOM 236 O ALA A 31 33.080 20.409 17.503 1.00 9.41 O -ATOM 237 CB ALA A 31 33.615 22.558 19.906 1.00 9.31 C -ATOM 238 N LEU A 32 35.163 21.248 17.466 1.00 9.01 N -ATOM 239 CA LEU A 32 35.309 21.074 16.026 1.00 9.04 C -ATOM 240 C LEU A 32 35.243 19.588 15.679 1.00 9.03 C -ATOM 241 O LEU A 32 34.602 19.195 14.702 1.00 8.83 O -ATOM 242 CB LEU A 32 36.644 21.653 15.552 1.00 9.36 C -ATOM 243 CG LEU A 32 36.791 21.751 14.031 1.00 9.68 C -ATOM 244 CD1 LEU A 32 35.905 22.876 13.512 1.00 10.32 C -ATOM 245 CD2 LEU A 32 38.242 22.010 13.661 1.00 9.85 C -ATOM 246 N CYS A 33 35.913 18.768 16.482 1.00 8.89 N -ATOM 247 CA CYS A 33 35.915 17.328 16.259 1.00 9.05 C -ATOM 248 C CYS A 33 34.495 16.782 16.331 1.00 9.16 C -ATOM 249 O CYS A 33 34.122 15.902 15.556 1.00 8.82 O -ATOM 250 CB CYS A 33 36.794 16.623 17.297 1.00 9.15 C -ATOM 251 SG CYS A 33 38.565 16.936 17.109 1.00 9.69 S -ATOM 252 N HIS A 34 33.706 17.300 17.268 1.00 9.64 N -ATOM 253 CA HIS A 34 32.326 16.853 17.417 1.00 10.27 C -ATOM 254 C HIS A 34 31.509 17.261 16.193 1.00 10.31 C -ATOM 255 O HIS A 34 30.656 16.509 15.727 1.00 10.23 O -ATOM 256 CB HIS A 34 31.711 17.454 18.685 1.00 11.02 C -ATOM 257 CG HIS A 34 32.350 16.974 19.952 1.00 12.13 C -ATOM 258 ND1 HIS A 34 32.121 17.570 21.173 1.00 12.79 N -ATOM 259 CD2 HIS A 34 33.210 15.954 20.187 1.00 12.38 C -ATOM 260 CE1 HIS A 34 32.811 16.939 22.106 1.00 12.76 C -ATOM 261 NE2 HIS A 34 33.480 15.954 21.535 1.00 12.89 N -ATOM 262 N GLN A 35 31.787 18.452 15.673 1.00 10.40 N -ATOM 263 CA GLN A 35 31.086 18.962 14.501 1.00 10.60 C -ATOM 264 C GLN A 35 31.401 18.142 13.245 1.00 10.10 C -ATOM 265 O GLN A 35 30.554 17.999 12.361 1.00 9.87 O -ATOM 266 CB GLN A 35 31.453 20.435 14.274 1.00 11.70 C -ATOM 267 CG GLN A 35 30.858 21.044 13.014 1.00 13.49 C -ATOM 268 CD GLN A 35 31.169 22.526 12.861 1.00 14.27 C -ATOM 269 OE1 GLN A 35 32.246 22.992 13.241 1.00 15.40 O -ATOM 270 NE2 GLN A 35 30.231 23.270 12.283 1.00 15.03 N -ATOM 271 N ALA A 36 32.613 17.597 13.175 1.00 9.63 N -ATOM 272 CA ALA A 36 33.042 16.802 12.027 1.00 9.52 C -ATOM 273 C ALA A 36 32.267 15.491 11.883 1.00 9.57 C -ATOM 274 O ALA A 36 32.256 14.877 10.816 1.00 9.11 O -ATOM 275 CB ALA A 36 34.534 16.517 12.129 1.00 9.26 C -ATOM 276 N LYS A 37 31.634 15.065 12.971 1.00 9.87 N -ATOM 277 CA LYS A 37 30.837 13.839 12.996 1.00 10.33 C -ATOM 278 C LYS A 37 29.381 14.274 12.843 1.00 10.52 C -ATOM 279 O LYS A 37 28.704 14.557 13.832 1.00 10.50 O -ATOM 280 CB LYS A 37 31.041 13.124 14.339 1.00 10.67 C -ATOM 281 CG LYS A 37 30.360 11.768 14.465 1.00 11.20 C -ATOM 282 CD LYS A 37 30.507 11.217 15.879 1.00 12.02 C -ATOM 283 CE LYS A 37 29.833 9.858 16.023 1.00 12.59 C -ATOM 284 NZ LYS A 37 29.864 9.361 17.429 1.00 13.24 N -ATOM 285 N THR A 38 28.902 14.331 11.603 1.00 10.82 N -ATOM 286 CA THR A 38 27.536 14.774 11.338 1.00 11.33 C -ATOM 287 C THR A 38 26.544 13.622 11.202 1.00 11.65 C -ATOM 288 O THR A 38 26.933 12.470 11.035 1.00 11.60 O -ATOM 289 CB THR A 38 27.466 15.646 10.056 1.00 11.29 C -ATOM 290 OG1 THR A 38 27.224 14.816 8.913 1.00 10.85 O -ATOM 291 CG2 THR A 38 28.773 16.391 9.852 1.00 11.38 C -ATOM 292 N PRO A 39 25.238 13.927 11.269 1.00 12.09 N -ATOM 293 CA PRO A 39 24.218 12.884 11.149 1.00 12.11 C -ATOM 294 C PRO A 39 24.154 12.187 9.788 1.00 11.87 C -ATOM 295 O PRO A 39 23.562 11.113 9.670 1.00 12.37 O -ATOM 296 CB PRO A 39 22.925 13.628 11.490 1.00 12.48 C -ATOM 297 CG PRO A 39 23.205 15.016 11.016 1.00 12.75 C -ATOM 298 CD PRO A 39 24.613 15.239 11.515 1.00 12.50 C -ATOM 299 N VAL A 40 24.766 12.781 8.766 1.00 11.28 N -ATOM 300 CA VAL A 40 24.742 12.182 7.431 1.00 10.69 C -ATOM 301 C VAL A 40 26.109 11.702 6.952 1.00 10.22 C -ATOM 302 O VAL A 40 26.245 11.235 5.821 1.00 10.17 O -ATOM 303 CB VAL A 40 24.174 13.163 6.379 1.00 10.68 C -ATOM 304 CG1 VAL A 40 22.760 13.575 6.763 1.00 10.72 C -ATOM 305 CG2 VAL A 40 25.078 14.375 6.248 1.00 10.78 C -ATOM 306 N GLY A 41 27.117 11.816 7.811 1.00 9.59 N -ATOM 307 CA GLY A 41 28.451 11.381 7.441 1.00 9.04 C -ATOM 308 C GLY A 41 29.535 12.164 8.153 1.00 8.48 C -ATOM 309 O GLY A 41 29.249 13.126 8.863 1.00 8.67 O -ATOM 310 N ASN A 42 30.782 11.745 7.966 1.00 8.28 N -ATOM 311 CA ASN A 42 31.915 12.417 8.594 1.00 7.99 C -ATOM 312 C ASN A 42 32.724 13.170 7.555 1.00 7.68 C -ATOM 313 O ASN A 42 32.816 12.745 6.403 1.00 7.73 O -ATOM 314 CB ASN A 42 32.830 11.399 9.283 1.00 8.74 C -ATOM 315 CG ASN A 42 32.117 10.598 10.349 1.00 8.98 C -ATOM 316 OD1 ASN A 42 31.362 11.148 11.148 1.00 9.58 O -ATOM 317 ND2 ASN A 42 32.364 9.294 10.376 1.00 10.30 N -ATOM 318 N THR A 43 33.312 14.291 7.959 1.00 7.17 N -ATOM 319 CA THR A 43 34.145 15.053 7.040 1.00 6.86 C -ATOM 320 C THR A 43 35.399 14.212 6.784 1.00 6.78 C -ATOM 321 O THR A 43 35.671 13.254 7.513 1.00 7.00 O -ATOM 322 CB THR A 43 34.542 16.431 7.629 1.00 6.71 C -ATOM 323 OG1 THR A 43 35.263 16.252 8.856 1.00 6.54 O -ATOM 324 CG2 THR A 43 33.300 17.270 7.898 1.00 6.76 C -ATOM 325 N ALA A 44 36.150 14.550 5.743 1.00 6.62 N -ATOM 326 CA ALA A 44 37.358 13.803 5.410 1.00 6.36 C -ATOM 327 C ALA A 44 38.432 14.007 6.468 1.00 6.17 C -ATOM 328 O ALA A 44 39.190 13.089 6.794 1.00 5.96 O -ATOM 329 CB ALA A 44 37.882 14.241 4.050 1.00 6.32 C -ATOM 330 N ALA A 45 38.484 15.214 7.014 1.00 6.05 N -ATOM 331 CA ALA A 45 39.486 15.541 8.012 1.00 6.06 C -ATOM 332 C ALA A 45 39.134 16.833 8.715 1.00 6.09 C -ATOM 333 O ALA A 45 38.091 17.436 8.467 1.00 6.15 O -ATOM 334 CB ALA A 45 40.847 15.700 7.326 1.00 6.66 C -ATOM 335 N ILE A 46 40.015 17.226 9.627 1.00 6.00 N -ATOM 336 CA ILE A 46 39.902 18.498 10.312 1.00 5.98 C -ATOM 337 C ILE A 46 41.258 19.131 10.016 1.00 5.78 C -ATOM 338 O ILE A 46 42.213 18.422 9.693 1.00 5.94 O -ATOM 339 CB ILE A 46 39.709 18.367 11.850 1.00 6.40 C -ATOM 340 CG1 ILE A 46 40.833 17.538 12.476 1.00 6.92 C -ATOM 341 CG2 ILE A 46 38.341 17.785 12.148 1.00 6.51 C -ATOM 342 CD1 ILE A 46 40.816 17.552 13.999 1.00 7.69 C -ATOM 343 N CYS A 47 41.330 20.456 10.074 1.00 5.49 N -ATOM 344 CA CYS A 47 42.582 21.164 9.843 1.00 5.51 C -ATOM 345 C CYS A 47 42.705 22.139 10.996 1.00 5.21 C -ATOM 346 O CYS A 47 41.852 23.009 11.182 1.00 5.41 O -ATOM 347 CB CYS A 47 42.558 21.907 8.507 1.00 5.53 C -ATOM 348 SG CYS A 47 44.132 22.689 8.090 1.00 7.04 S -ATOM 349 N ILE A 48 43.775 21.982 11.764 1.00 5.06 N -ATOM 350 CA ILE A 48 43.999 22.791 12.954 1.00 4.93 C -ATOM 351 C ILE A 48 45.478 23.119 13.114 1.00 4.85 C -ATOM 352 O ILE A 48 46.319 22.570 12.407 1.00 4.71 O -ATOM 353 CB ILE A 48 43.543 22.004 14.200 1.00 5.27 C -ATOM 354 CG1 ILE A 48 44.278 20.657 14.249 1.00 5.65 C -ATOM 355 CG2 ILE A 48 42.036 21.782 14.155 1.00 5.59 C -ATOM 356 CD1 ILE A 48 43.898 19.769 15.417 1.00 5.99 C -ATOM 357 N TYR A 49 45.798 24.011 14.046 1.00 4.86 N -ATOM 358 CA TYR A 49 47.198 24.336 14.286 1.00 4.97 C -ATOM 359 C TYR A 49 47.872 23.110 14.910 1.00 5.20 C -ATOM 360 O TYR A 49 47.241 22.345 15.642 1.00 4.87 O -ATOM 361 CB TYR A 49 47.324 25.563 15.195 1.00 5.16 C -ATOM 362 CG TYR A 49 47.080 26.869 14.465 1.00 5.10 C -ATOM 363 CD1 TYR A 49 47.833 27.208 13.340 1.00 5.49 C -ATOM 364 CD2 TYR A 49 46.109 27.771 14.900 1.00 5.44 C -ATOM 365 CE1 TYR A 49 47.629 28.407 12.669 1.00 5.32 C -ATOM 366 CE2 TYR A 49 45.897 28.977 14.232 1.00 5.51 C -ATOM 367 CZ TYR A 49 46.661 29.285 13.119 1.00 5.60 C -ATOM 368 OH TYR A 49 46.463 30.473 12.450 1.00 6.47 O -ATOM 369 N PRO A 50 49.168 22.913 14.634 1.00 5.35 N -ATOM 370 CA PRO A 50 49.938 21.774 15.145 1.00 5.45 C -ATOM 371 C PRO A 50 49.783 21.398 16.617 1.00 5.28 C -ATOM 372 O PRO A 50 49.614 20.221 16.947 1.00 4.82 O -ATOM 373 CB PRO A 50 51.376 22.151 14.802 1.00 5.75 C -ATOM 374 CG PRO A 50 51.229 22.954 13.554 1.00 5.83 C -ATOM 375 CD PRO A 50 50.036 23.827 13.867 1.00 5.48 C -ATOM 376 N ARG A 51 49.834 22.389 17.499 1.00 5.10 N -ATOM 377 CA ARG A 51 49.742 22.123 18.928 1.00 5.18 C -ATOM 378 C ARG A 51 48.458 21.437 19.387 1.00 5.26 C -ATOM 379 O ARG A 51 48.423 20.847 20.467 1.00 5.53 O -ATOM 380 CB ARG A 51 49.944 23.420 19.718 1.00 5.38 C -ATOM 381 CG ARG A 51 48.859 24.473 19.531 1.00 5.89 C -ATOM 382 CD ARG A 51 49.248 25.736 20.285 1.00 6.57 C -ATOM 383 NE ARG A 51 48.268 26.814 20.179 1.00 7.09 N -ATOM 384 CZ ARG A 51 48.082 27.572 19.102 1.00 7.36 C -ATOM 385 NH1 ARG A 51 48.806 27.379 18.006 1.00 7.63 N -ATOM 386 NH2 ARG A 51 47.178 28.545 19.131 1.00 8.08 N -ATOM 387 N PHE A 52 47.413 21.492 18.571 1.00 5.23 N -ATOM 388 CA PHE A 52 46.142 20.876 18.946 1.00 5.38 C -ATOM 389 C PHE A 52 45.963 19.450 18.437 1.00 5.40 C -ATOM 390 O PHE A 52 44.954 18.810 18.728 1.00 5.49 O -ATOM 391 CB PHE A 52 44.981 21.739 18.445 1.00 5.61 C -ATOM 392 CG PHE A 52 44.969 23.128 19.018 1.00 5.71 C -ATOM 393 CD1 PHE A 52 44.781 23.331 20.383 1.00 6.12 C -ATOM 394 CD2 PHE A 52 45.166 24.236 18.198 1.00 5.86 C -ATOM 395 CE1 PHE A 52 44.790 24.616 20.925 1.00 5.85 C -ATOM 396 CE2 PHE A 52 45.178 25.523 18.729 1.00 5.91 C -ATOM 397 CZ PHE A 52 44.989 25.713 20.095 1.00 5.99 C -ATOM 398 N ILE A 53 46.943 18.940 17.700 1.00 5.40 N -ATOM 399 CA ILE A 53 46.835 17.596 17.148 1.00 5.70 C -ATOM 400 C ILE A 53 46.662 16.466 18.170 1.00 5.86 C -ATOM 401 O ILE A 53 45.772 15.637 18.020 1.00 5.98 O -ATOM 402 CB ILE A 53 48.035 17.285 16.220 1.00 5.46 C -ATOM 403 CG1 ILE A 53 47.993 18.208 14.995 1.00 5.61 C -ATOM 404 CG2 ILE A 53 47.987 15.830 15.766 1.00 5.65 C -ATOM 405 CD1 ILE A 53 49.220 18.093 14.102 1.00 5.60 C -ATOM 406 N PRO A 54 47.489 16.420 19.230 1.00 6.09 N -ATOM 407 CA PRO A 54 47.330 15.336 20.209 1.00 6.54 C -ATOM 408 C PRO A 54 45.935 15.219 20.820 1.00 6.79 C -ATOM 409 O PRO A 54 45.355 14.132 20.848 1.00 7.00 O -ATOM 410 CB PRO A 54 48.397 15.656 21.251 1.00 6.47 C -ATOM 411 CG PRO A 54 49.472 16.310 20.433 1.00 6.31 C -ATOM 412 CD PRO A 54 48.668 17.242 19.555 1.00 6.25 C -ATOM 413 N ILE A 55 45.388 16.328 21.304 1.00 7.10 N -ATOM 414 CA ILE A 55 44.062 16.285 21.908 1.00 7.42 C -ATOM 415 C ILE A 55 42.983 16.003 20.861 1.00 7.20 C -ATOM 416 O ILE A 55 41.976 15.359 21.159 1.00 7.32 O -ATOM 417 CB ILE A 55 43.738 17.599 22.670 1.00 7.84 C -ATOM 418 CG1 ILE A 55 42.431 17.433 23.450 1.00 8.38 C -ATOM 419 CG2 ILE A 55 43.653 18.771 21.704 1.00 8.37 C -ATOM 420 CD1 ILE A 55 42.483 16.342 24.501 1.00 9.15 C -ATOM 421 N ALA A 56 43.191 16.477 19.637 1.00 6.97 N -ATOM 422 CA ALA A 56 42.224 16.232 18.570 1.00 6.84 C -ATOM 423 C ALA A 56 42.180 14.736 18.255 1.00 6.89 C -ATOM 424 O ALA A 56 41.105 14.161 18.073 1.00 6.79 O -ATOM 425 CB ALA A 56 42.601 17.025 17.312 1.00 6.80 C -ATOM 426 N ARG A 57 43.350 14.108 18.192 1.00 6.96 N -ATOM 427 CA ARG A 57 43.421 12.685 17.900 1.00 7.37 C -ATOM 428 C ARG A 57 42.643 11.902 18.951 1.00 7.61 C -ATOM 429 O ARG A 57 41.864 11.006 18.622 1.00 7.56 O -ATOM 430 CB ARG A 57 44.875 12.207 17.884 1.00 7.15 C -ATOM 431 CG ARG A 57 45.016 10.742 17.491 1.00 7.22 C -ATOM 432 CD ARG A 57 44.721 10.533 16.010 1.00 7.11 C -ATOM 433 NE ARG A 57 45.853 10.938 15.179 1.00 7.37 N -ATOM 434 CZ ARG A 57 45.815 11.054 13.855 1.00 7.33 C -ATOM 435 NH1 ARG A 57 44.693 10.807 13.184 1.00 7.46 N -ATOM 436 NH2 ARG A 57 46.911 11.399 13.196 1.00 7.91 N -ATOM 437 N LYS A 58 42.852 12.250 20.216 1.00 8.27 N -ATOM 438 CA LYS A 58 42.173 11.582 21.320 1.00 8.90 C -ATOM 439 C LYS A 58 40.663 11.774 21.232 1.00 8.79 C -ATOM 440 O LYS A 58 39.896 10.836 21.444 1.00 8.80 O -ATOM 441 CB LYS A 58 42.689 12.129 22.653 1.00 9.55 C -ATOM 442 CG LYS A 58 42.034 11.519 23.889 1.00 10.94 C -ATOM 443 CD LYS A 58 42.559 12.173 25.165 1.00 12.08 C -ATOM 444 CE LYS A 58 41.818 11.666 26.393 1.00 13.25 C -ATOM 445 NZ LYS A 58 42.294 12.325 27.644 1.00 14.18 N -ATOM 446 N THR A 59 40.241 12.992 20.915 1.00 8.69 N -ATOM 447 CA THR A 59 38.823 13.309 20.810 1.00 8.82 C -ATOM 448 C THR A 59 38.149 12.540 19.677 1.00 8.87 C -ATOM 449 O THR A 59 37.046 12.018 19.844 1.00 8.94 O -ATOM 450 CB THR A 59 38.623 14.818 20.595 1.00 8.78 C -ATOM 451 OG1 THR A 59 39.270 15.533 21.654 1.00 8.97 O -ATOM 452 CG2 THR A 59 37.144 15.169 20.587 1.00 8.94 C -ATOM 453 N LEU A 60 38.808 12.475 18.525 1.00 9.10 N -ATOM 454 CA LEU A 60 38.258 11.755 17.384 1.00 9.30 C -ATOM 455 C LEU A 60 38.153 10.270 17.702 1.00 9.83 C -ATOM 456 O LEU A 60 37.176 9.612 17.338 1.00 9.83 O -ATOM 457 CB LEU A 60 39.138 11.970 16.150 1.00 8.73 C -ATOM 458 CG LEU A 60 39.127 13.400 15.605 1.00 8.26 C -ATOM 459 CD1 LEU A 60 40.174 13.535 14.510 1.00 8.26 C -ATOM 460 CD2 LEU A 60 37.738 13.745 15.079 1.00 8.19 C -ATOM 461 N LYS A 61 39.157 9.744 18.393 1.00 10.42 N -ATOM 462 CA LYS A 61 39.158 8.334 18.756 1.00 11.21 C -ATOM 463 C LYS A 61 38.037 7.984 19.727 1.00 11.54 C -ATOM 464 O LYS A 61 37.335 6.989 19.537 1.00 11.45 O -ATOM 465 CB LYS A 61 40.498 7.943 19.380 1.00 11.59 C -ATOM 466 CG LYS A 61 40.505 6.524 19.931 1.00 12.40 C -ATOM 467 CD LYS A 61 41.836 6.162 20.554 1.00 13.36 C -ATOM 468 CE LYS A 61 41.793 4.742 21.094 1.00 14.03 C -ATOM 469 NZ LYS A 61 43.101 4.326 21.666 1.00 14.77 N -ATOM 470 N GLU A 62 37.865 8.796 20.765 1.00 11.96 N -ATOM 471 CA GLU A 62 36.838 8.520 21.762 1.00 12.58 C -ATOM 472 C GLU A 62 35.413 8.631 21.237 1.00 12.60 C -ATOM 473 O GLU A 62 34.509 7.989 21.772 1.00 13.04 O -ATOM 474 CB GLU A 62 37.021 9.424 22.989 1.00 13.12 C -ATOM 475 CG GLU A 62 38.355 9.220 23.699 1.00 14.24 C -ATOM 476 CD GLU A 62 38.443 9.948 25.032 1.00 14.68 C -ATOM 477 OE1 GLU A 62 37.936 11.085 25.137 1.00 15.56 O -ATOM 478 OE2 GLU A 62 39.036 9.386 25.975 1.00 15.87 O -ATOM 479 N GLN A 63 35.204 9.427 20.190 1.00 12.18 N -ATOM 480 CA GLN A 63 33.863 9.577 19.635 1.00 11.93 C -ATOM 481 C GLN A 63 33.602 8.555 18.529 1.00 11.87 C -ATOM 482 O GLN A 63 32.572 8.600 17.852 1.00 11.93 O -ATOM 483 CB GLN A 63 33.646 11.002 19.106 1.00 11.71 C -ATOM 484 CG GLN A 63 34.369 11.333 17.810 1.00 11.36 C -ATOM 485 CD GLN A 63 34.049 12.734 17.312 1.00 11.28 C -ATOM 486 OE1 GLN A 63 34.376 13.097 16.180 1.00 11.01 O -ATOM 487 NE2 GLN A 63 33.410 13.529 18.159 1.00 10.77 N -ATOM 488 N GLY A 64 34.546 7.637 18.346 1.00 11.74 N -ATOM 489 CA GLY A 64 34.391 6.598 17.344 1.00 11.73 C -ATOM 490 C GLY A 64 34.589 6.989 15.891 1.00 11.61 C -ATOM 491 O GLY A 64 34.014 6.363 14.998 1.00 12.05 O -ATOM 492 N THR A 65 35.395 8.016 15.641 1.00 11.20 N -ATOM 493 CA THR A 65 35.661 8.442 14.270 1.00 10.81 C -ATOM 494 C THR A 65 37.162 8.600 14.040 1.00 10.88 C -ATOM 495 O THR A 65 37.633 9.672 13.652 1.00 10.57 O -ATOM 496 CB THR A 65 34.964 9.782 13.940 1.00 10.69 C -ATOM 497 OG1 THR A 65 35.460 10.810 14.806 1.00 10.12 O -ATOM 498 CG2 THR A 65 33.458 9.658 14.108 1.00 10.74 C -ATOM 499 N PRO A 66 37.937 7.530 14.278 1.00 10.90 N -ATOM 500 CA PRO A 66 39.387 7.593 14.083 1.00 11.08 C -ATOM 501 C PRO A 66 39.784 7.739 12.618 1.00 11.02 C -ATOM 502 O PRO A 66 40.936 8.058 12.310 1.00 11.19 O -ATOM 503 CB PRO A 66 39.870 6.280 14.691 1.00 11.23 C -ATOM 504 CG PRO A 66 38.732 5.352 14.405 1.00 11.32 C -ATOM 505 CD PRO A 66 37.531 6.195 14.754 1.00 11.13 C -ATOM 506 N GLU A 67 38.831 7.515 11.717 1.00 11.03 N -ATOM 507 CA GLU A 67 39.104 7.620 10.288 1.00 11.00 C -ATOM 508 C GLU A 67 39.113 9.065 9.798 1.00 10.43 C -ATOM 509 O GLU A 67 39.454 9.332 8.644 1.00 10.53 O -ATOM 510 CB GLU A 67 38.084 6.813 9.473 1.00 11.82 C -ATOM 511 CG GLU A 67 36.666 7.354 9.535 1.00 13.14 C -ATOM 512 CD GLU A 67 35.831 6.696 10.614 1.00 13.89 C -ATOM 513 OE1 GLU A 67 36.342 6.504 11.736 1.00 14.47 O -ATOM 514 OE2 GLU A 67 34.655 6.375 10.340 1.00 14.83 O -ATOM 515 N ILE A 68 38.714 9.998 10.657 1.00 9.65 N -ATOM 516 CA ILE A 68 38.739 11.405 10.271 1.00 9.01 C -ATOM 517 C ILE A 68 40.200 11.834 10.398 1.00 8.67 C -ATOM 518 O ILE A 68 40.777 11.776 11.485 1.00 8.74 O -ATOM 519 CB ILE A 68 37.841 12.267 11.189 1.00 8.78 C -ATOM 520 CG1 ILE A 68 36.370 11.866 10.995 1.00 8.68 C -ATOM 521 CG2 ILE A 68 38.041 13.752 10.873 1.00 8.50 C -ATOM 522 CD1 ILE A 68 35.381 12.676 11.811 1.00 8.67 C -ATOM 523 N ARG A 69 40.800 12.240 9.282 1.00 8.03 N -ATOM 524 CA ARG A 69 42.206 12.643 9.275 1.00 7.76 C -ATOM 525 C ARG A 69 42.486 13.975 9.951 1.00 6.97 C -ATOM 526 O ARG A 69 41.598 14.810 10.118 1.00 6.65 O -ATOM 527 CB ARG A 69 42.745 12.728 7.844 1.00 8.60 C -ATOM 528 CG ARG A 69 42.758 11.426 7.068 1.00 10.35 C -ATOM 529 CD ARG A 69 41.408 11.140 6.486 1.00 11.85 C -ATOM 530 NE ARG A 69 41.499 10.375 5.248 1.00 13.03 N -ATOM 531 CZ ARG A 69 40.490 10.241 4.397 1.00 12.72 C -ATOM 532 NH1 ARG A 69 39.331 10.824 4.664 1.00 12.83 N -ATOM 533 NH2 ARG A 69 40.635 9.526 3.289 1.00 13.01 N -ATOM 534 N ILE A 70 43.742 14.171 10.330 1.00 6.34 N -ATOM 535 CA ILE A 70 44.135 15.420 10.953 1.00 5.82 C -ATOM 536 C ILE A 70 45.182 16.113 10.103 1.00 5.49 C -ATOM 537 O ILE A 70 46.305 15.627 9.949 1.00 5.55 O -ATOM 538 CB ILE A 70 44.705 15.205 12.365 1.00 5.87 C -ATOM 539 CG1 ILE A 70 43.656 14.513 13.236 1.00 6.17 C -ATOM 540 CG2 ILE A 70 45.086 16.553 12.981 1.00 6.13 C -ATOM 541 CD1 ILE A 70 44.113 14.231 14.654 1.00 6.51 C -ATOM 542 N ALA A 71 44.786 17.240 9.528 1.00 5.06 N -ATOM 543 CA ALA A 71 45.674 18.045 8.711 1.00 4.85 C -ATOM 544 C ALA A 71 46.065 19.261 9.537 1.00 4.81 C -ATOM 545 O ALA A 71 45.365 19.645 10.481 1.00 4.74 O -ATOM 546 CB ALA A 71 44.963 18.486 7.430 1.00 5.13 C -ATOM 547 N THR A 72 47.188 19.864 9.181 1.00 4.77 N -ATOM 548 CA THR A 72 47.656 21.039 9.882 1.00 4.72 C -ATOM 549 C THR A 72 48.376 21.950 8.891 1.00 4.75 C -ATOM 550 O THR A 72 48.458 21.638 7.700 1.00 5.15 O -ATOM 551 CB THR A 72 48.576 20.640 11.062 1.00 4.97 C -ATOM 552 OG1 THR A 72 48.830 21.791 11.873 1.00 4.68 O -ATOM 553 CG2 THR A 72 49.896 20.058 10.560 1.00 4.82 C -ATOM 554 N VAL A 73 48.883 23.078 9.374 1.00 4.91 N -ATOM 555 CA VAL A 73 49.565 24.032 8.506 1.00 4.84 C -ATOM 556 C VAL A 73 50.950 24.417 9.020 1.00 4.65 C -ATOM 557 O VAL A 73 51.166 24.482 10.228 1.00 4.81 O -ATOM 558 CB VAL A 73 48.725 25.324 8.346 1.00 5.10 C -ATOM 559 CG1 VAL A 73 47.410 25.007 7.654 1.00 5.42 C -ATOM 560 CG2 VAL A 73 48.455 25.945 9.710 1.00 5.26 C -ATOM 561 N THR A 74 51.884 24.649 8.096 1.00 4.39 N -ATOM 562 CA THR A 74 53.242 25.074 8.452 1.00 4.28 C -ATOM 563 C THR A 74 53.725 26.177 7.502 1.00 4.41 C -ATOM 564 O THR A 74 53.176 26.343 6.405 1.00 4.45 O -ATOM 565 CB THR A 74 54.251 23.900 8.452 1.00 4.18 C -ATOM 566 OG1 THR A 74 54.299 23.290 7.159 1.00 4.17 O -ATOM 567 CG2 THR A 74 53.862 22.868 9.505 1.00 4.34 C -ATOM 568 N ASN A 75 54.751 26.915 7.932 1.00 4.78 N -ATOM 569 CA ASN A 75 55.303 28.063 7.192 1.00 4.54 C -ATOM 570 C ASN A 75 54.100 28.957 6.912 1.00 4.72 C -ATOM 571 O ASN A 75 54.029 29.648 5.902 1.00 4.61 O -ATOM 572 CB ASN A 75 55.964 27.625 5.876 1.00 4.73 C -ATOM 573 CG ASN A 75 56.961 28.651 5.371 1.00 4.59 C -ATOM 574 OD1 ASN A 75 57.689 29.243 6.167 1.00 4.96 O -ATOM 575 ND2 ASN A 75 57.010 28.859 4.057 1.00 4.42 N -ATOM 576 N PHE A 76 53.187 28.956 7.874 1.00 4.92 N -ATOM 577 CA PHE A 76 51.896 29.622 7.785 1.00 5.11 C -ATOM 578 C PHE A 76 51.707 30.864 8.656 1.00 5.38 C -ATOM 579 O PHE A 76 52.168 30.913 9.790 1.00 5.77 O -ATOM 580 CB PHE A 76 50.865 28.541 8.131 1.00 5.07 C -ATOM 581 CG PHE A 76 49.432 28.957 7.992 1.00 4.89 C -ATOM 582 CD1 PHE A 76 48.784 29.641 9.014 1.00 4.98 C -ATOM 583 CD2 PHE A 76 48.706 28.581 6.867 1.00 4.69 C -ATOM 584 CE1 PHE A 76 47.430 29.938 8.924 1.00 5.21 C -ATOM 585 CE2 PHE A 76 47.352 28.872 6.766 1.00 5.06 C -ATOM 586 CZ PHE A 76 46.711 29.550 7.796 1.00 5.06 C -ATOM 587 N PRO A 77 51.021 31.894 8.130 1.00 5.68 N -ATOM 588 CA PRO A 77 50.419 31.980 6.795 1.00 5.73 C -ATOM 589 C PRO A 77 51.340 32.745 5.851 1.00 5.81 C -ATOM 590 O PRO A 77 51.054 32.885 4.662 1.00 5.75 O -ATOM 591 CB PRO A 77 49.136 32.751 7.063 1.00 6.05 C -ATOM 592 CG PRO A 77 49.603 33.765 8.066 1.00 6.01 C -ATOM 593 CD PRO A 77 50.463 32.934 9.016 1.00 5.99 C -ATOM 594 N HIS A 78 52.452 33.211 6.404 1.00 5.66 N -ATOM 595 CA HIS A 78 53.430 34.027 5.694 1.00 5.85 C -ATOM 596 C HIS A 78 54.072 33.502 4.416 1.00 5.79 C -ATOM 597 O HIS A 78 54.300 34.273 3.486 1.00 6.05 O -ATOM 598 CB HIS A 78 54.538 34.442 6.667 1.00 6.16 C -ATOM 599 CG HIS A 78 55.177 33.289 7.381 1.00 6.38 C -ATOM 600 ND1 HIS A 78 54.902 32.980 8.697 1.00 7.18 N -ATOM 601 CD2 HIS A 78 56.060 32.356 6.953 1.00 6.28 C -ATOM 602 CE1 HIS A 78 55.590 31.908 9.047 1.00 6.76 C -ATOM 603 NE2 HIS A 78 56.300 31.509 8.007 1.00 7.53 N -ATOM 604 N GLY A 79 54.380 32.212 4.358 1.00 5.76 N -ATOM 605 CA GLY A 79 55.029 31.691 3.169 1.00 5.68 C -ATOM 606 C GLY A 79 56.424 32.282 3.021 1.00 5.76 C -ATOM 607 O GLY A 79 56.850 32.620 1.912 1.00 5.50 O -ATOM 608 N ASN A 80 57.136 32.429 4.137 1.00 5.89 N -ATOM 609 CA ASN A 80 58.490 32.974 4.094 1.00 6.04 C -ATOM 610 C ASN A 80 59.401 32.017 3.325 1.00 6.23 C -ATOM 611 O ASN A 80 59.068 30.842 3.129 1.00 6.09 O -ATOM 612 CB ASN A 80 59.031 33.217 5.512 1.00 6.36 C -ATOM 613 CG ASN A 80 58.342 34.380 6.212 1.00 6.62 C -ATOM 614 OD1 ASN A 80 57.723 35.232 5.569 1.00 7.05 O -ATOM 615 ND2 ASN A 80 58.461 34.429 7.535 1.00 6.95 N -ATOM 616 N ASP A 81 60.556 32.518 2.898 1.00 6.75 N -ATOM 617 CA ASP A 81 61.487 31.716 2.114 1.00 7.28 C -ATOM 618 C ASP A 81 62.602 31.028 2.889 1.00 7.20 C -ATOM 619 O ASP A 81 63.618 30.655 2.301 1.00 7.42 O -ATOM 620 CB ASP A 81 62.113 32.569 1.005 1.00 8.29 C -ATOM 621 CG ASP A 81 62.840 33.781 1.543 1.00 9.47 C -ATOM 622 OD1 ASP A 81 63.332 33.728 2.691 1.00 10.37 O -ATOM 623 OD2 ASP A 81 62.935 34.787 0.805 1.00 11.10 O -ATOM 624 N ASP A 82 62.429 30.863 4.197 1.00 6.94 N -ATOM 625 CA ASP A 82 63.449 30.195 4.998 1.00 6.75 C -ATOM 626 C ASP A 82 63.115 28.702 5.048 1.00 6.43 C -ATOM 627 O ASP A 82 62.201 28.276 5.753 1.00 6.23 O -ATOM 628 CB ASP A 82 63.490 30.779 6.411 1.00 7.13 C -ATOM 629 CG ASP A 82 64.669 30.269 7.214 1.00 7.43 C -ATOM 630 OD1 ASP A 82 64.862 29.038 7.275 1.00 7.60 O -ATOM 631 OD2 ASP A 82 65.407 31.098 7.787 1.00 8.52 O -ATOM 632 N ILE A 83 63.859 27.912 4.285 1.00 6.32 N -ATOM 633 CA ILE A 83 63.622 26.477 4.217 1.00 6.46 C -ATOM 634 C ILE A 83 63.844 25.765 5.548 1.00 6.56 C -ATOM 635 O ILE A 83 63.071 24.884 5.914 1.00 6.13 O -ATOM 636 CB ILE A 83 64.509 25.832 3.132 1.00 6.67 C -ATOM 637 CG1 ILE A 83 64.186 26.455 1.771 1.00 6.71 C -ATOM 638 CG2 ILE A 83 64.268 24.327 3.083 1.00 6.54 C -ATOM 639 CD1 ILE A 83 65.116 26.013 0.665 1.00 7.44 C -ATOM 640 N ASP A 84 64.887 26.144 6.280 1.00 6.92 N -ATOM 641 CA ASP A 84 65.156 25.500 7.561 1.00 7.20 C -ATOM 642 C ASP A 84 63.976 25.634 8.514 1.00 6.67 C -ATOM 643 O ASP A 84 63.613 24.679 9.202 1.00 6.78 O -ATOM 644 CB ASP A 84 66.411 26.083 8.216 1.00 8.36 C -ATOM 645 CG ASP A 84 67.666 25.819 7.408 1.00 9.56 C -ATOM 646 OD1 ASP A 84 67.726 24.776 6.723 1.00 10.87 O -ATOM 647 OD2 ASP A 84 68.600 26.647 7.467 1.00 11.47 O -ATOM 648 N ILE A 85 63.373 26.815 8.555 1.00 6.20 N -ATOM 649 CA ILE A 85 62.234 27.034 9.431 1.00 5.75 C -ATOM 650 C ILE A 85 61.020 26.233 8.965 1.00 5.53 C -ATOM 651 O ILE A 85 60.356 25.583 9.775 1.00 5.34 O -ATOM 652 CB ILE A 85 61.881 28.544 9.525 1.00 5.78 C -ATOM 653 CG1 ILE A 85 62.940 29.256 10.377 1.00 6.07 C -ATOM 654 CG2 ILE A 85 60.488 28.731 10.133 1.00 5.99 C -ATOM 655 CD1 ILE A 85 62.731 30.752 10.531 1.00 6.14 C -ATOM 656 N ALA A 86 60.737 26.263 7.666 1.00 5.28 N -ATOM 657 CA ALA A 86 59.593 25.528 7.136 1.00 5.19 C -ATOM 658 C ALA A 86 59.752 24.040 7.422 1.00 5.14 C -ATOM 659 O ALA A 86 58.793 23.367 7.791 1.00 5.06 O -ATOM 660 CB ALA A 86 59.457 25.765 5.629 1.00 5.30 C -ATOM 661 N LEU A 87 60.970 23.532 7.258 1.00 5.05 N -ATOM 662 CA LEU A 87 61.244 22.123 7.503 1.00 5.06 C -ATOM 663 C LEU A 87 61.106 21.761 8.979 1.00 5.03 C -ATOM 664 O LEU A 87 60.541 20.721 9.313 1.00 5.08 O -ATOM 665 CB LEU A 87 62.647 21.757 7.012 1.00 5.33 C -ATOM 666 CG LEU A 87 63.065 20.300 7.231 1.00 5.49 C -ATOM 667 CD1 LEU A 87 62.067 19.368 6.559 1.00 5.69 C -ATOM 668 CD2 LEU A 87 64.461 20.077 6.672 1.00 5.83 C -ATOM 669 N ALA A 88 61.630 22.612 9.857 1.00 4.70 N -ATOM 670 CA ALA A 88 61.546 22.372 11.293 1.00 4.47 C -ATOM 671 C ALA A 88 60.087 22.334 11.746 1.00 4.35 C -ATOM 672 O ALA A 88 59.706 21.468 12.530 1.00 4.25 O -ATOM 673 CB ALA A 88 62.315 23.451 12.051 1.00 4.82 C -ATOM 674 N GLU A 89 59.270 23.264 11.252 1.00 4.30 N -ATOM 675 CA GLU A 89 57.854 23.293 11.619 1.00 4.32 C -ATOM 676 C GLU A 89 57.151 22.041 11.104 1.00 4.41 C -ATOM 677 O GLU A 89 56.300 21.474 11.785 1.00 4.50 O -ATOM 678 CB GLU A 89 57.171 24.545 11.059 1.00 4.73 C -ATOM 679 CG GLU A 89 57.755 25.842 11.602 1.00 5.28 C -ATOM 680 CD GLU A 89 56.968 27.064 11.184 1.00 5.98 C -ATOM 681 OE1 GLU A 89 56.168 26.968 10.235 1.00 6.84 O -ATOM 682 OE2 GLU A 89 57.158 28.131 11.799 1.00 6.80 O -ATOM 683 N THR A 90 57.521 21.607 9.905 1.00 4.36 N -ATOM 684 CA THR A 90 56.934 20.417 9.308 1.00 4.60 C -ATOM 685 C THR A 90 57.308 19.165 10.102 1.00 4.84 C -ATOM 686 O THR A 90 56.468 18.294 10.333 1.00 4.74 O -ATOM 687 CB THR A 90 57.365 20.292 7.827 1.00 4.50 C -ATOM 688 OG1 THR A 90 56.833 21.409 7.093 1.00 4.84 O -ATOM 689 CG2 THR A 90 56.840 18.998 7.211 1.00 4.54 C -ATOM 690 N ARG A 91 58.559 19.079 10.543 1.00 4.87 N -ATOM 691 CA ARG A 91 58.982 17.928 11.333 1.00 5.12 C -ATOM 692 C ARG A 91 58.256 17.940 12.680 1.00 4.82 C -ATOM 693 O ARG A 91 57.915 16.887 13.219 1.00 4.48 O -ATOM 694 CB ARG A 91 60.501 17.944 11.542 1.00 6.31 C -ATOM 695 CG ARG A 91 61.300 17.586 10.289 1.00 8.05 C -ATOM 696 CD ARG A 91 62.802 17.655 10.547 1.00 10.06 C -ATOM 697 NE ARG A 91 63.598 17.358 9.357 1.00 11.94 N -ATOM 698 CZ ARG A 91 64.918 17.513 9.279 1.00 12.88 C -ATOM 699 NH1 ARG A 91 65.603 17.966 10.323 1.00 13.84 N -ATOM 700 NH2 ARG A 91 65.559 17.210 8.159 1.00 13.62 N -ATOM 701 N ALA A 92 58.005 19.131 13.218 1.00 4.44 N -ATOM 702 CA ALA A 92 57.296 19.239 14.488 1.00 4.72 C -ATOM 703 C ALA A 92 55.851 18.779 14.304 1.00 4.50 C -ATOM 704 O ALA A 92 55.308 18.054 15.143 1.00 4.57 O -ATOM 705 CB ALA A 92 57.334 20.677 14.999 1.00 4.57 C -ATOM 706 N ALA A 93 55.232 19.192 13.200 1.00 4.74 N -ATOM 707 CA ALA A 93 53.856 18.806 12.902 1.00 4.62 C -ATOM 708 C ALA A 93 53.760 17.282 12.817 1.00 4.65 C -ATOM 709 O ALA A 93 52.806 16.677 13.320 1.00 4.71 O -ATOM 710 CB ALA A 93 53.413 19.438 11.587 1.00 4.72 C -ATOM 711 N ILE A 94 54.745 16.668 12.169 1.00 4.84 N -ATOM 712 CA ILE A 94 54.785 15.217 12.039 1.00 5.25 C -ATOM 713 C ILE A 94 54.900 14.580 13.428 1.00 5.32 C -ATOM 714 O ILE A 94 54.190 13.621 13.741 1.00 5.54 O -ATOM 715 CB ILE A 94 55.976 14.791 11.148 1.00 5.65 C -ATOM 716 CG1 ILE A 94 55.709 15.232 9.706 1.00 5.93 C -ATOM 717 CG2 ILE A 94 56.188 13.283 11.220 1.00 5.96 C -ATOM 718 CD1 ILE A 94 56.908 15.128 8.786 1.00 6.54 C -ATOM 719 N ALA A 95 55.783 15.127 14.262 1.00 5.13 N -ATOM 720 CA ALA A 95 55.984 14.625 15.620 1.00 5.26 C -ATOM 721 C ALA A 95 54.722 14.738 16.476 1.00 5.27 C -ATOM 722 O ALA A 95 54.469 13.883 17.327 1.00 5.83 O -ATOM 723 CB ALA A 95 57.140 15.366 16.285 1.00 5.12 C -ATOM 724 N TYR A 96 53.935 15.793 16.270 1.00 5.12 N -ATOM 725 CA TYR A 96 52.690 15.970 17.019 1.00 5.04 C -ATOM 726 C TYR A 96 51.706 14.867 16.639 1.00 5.21 C -ATOM 727 O TYR A 96 50.817 14.527 17.419 1.00 5.76 O -ATOM 728 CB TYR A 96 52.038 17.316 16.701 1.00 4.91 C -ATOM 729 CG TYR A 96 52.515 18.497 17.513 1.00 4.34 C -ATOM 730 CD1 TYR A 96 52.375 18.523 18.901 1.00 4.36 C -ATOM 731 CD2 TYR A 96 53.027 19.627 16.883 1.00 4.25 C -ATOM 732 CE1 TYR A 96 52.726 19.655 19.638 1.00 4.58 C -ATOM 733 CE2 TYR A 96 53.380 20.762 17.608 1.00 4.33 C -ATOM 734 CZ TYR A 96 53.226 20.771 18.983 1.00 4.31 C -ATOM 735 OH TYR A 96 53.563 21.901 19.698 1.00 4.96 O -ATOM 736 N GLY A 97 51.853 14.343 15.424 1.00 5.13 N -ATOM 737 CA GLY A 97 50.979 13.280 14.953 1.00 5.35 C -ATOM 738 C GLY A 97 50.125 13.601 13.736 1.00 5.42 C -ATOM 739 O GLY A 97 49.149 12.903 13.467 1.00 5.91 O -ATOM 740 N ALA A 98 50.481 14.636 12.983 1.00 5.08 N -ATOM 741 CA ALA A 98 49.698 15.005 11.809 1.00 5.02 C -ATOM 742 C ALA A 98 49.631 13.910 10.750 1.00 5.08 C -ATOM 743 O ALA A 98 50.586 13.167 10.547 1.00 5.15 O -ATOM 744 CB ALA A 98 50.269 16.272 11.183 1.00 4.83 C -ATOM 745 N ASP A 99 48.485 13.808 10.085 1.00 4.91 N -ATOM 746 CA ASP A 99 48.327 12.848 8.998 1.00 4.96 C -ATOM 747 C ASP A 99 48.707 13.565 7.709 1.00 4.77 C -ATOM 748 O ASP A 99 49.161 12.947 6.750 1.00 5.03 O -ATOM 749 CB ASP A 99 46.875 12.375 8.864 1.00 5.20 C -ATOM 750 CG ASP A 99 46.429 11.513 10.017 1.00 5.74 C -ATOM 751 OD1 ASP A 99 47.188 10.597 10.396 1.00 6.55 O -ATOM 752 OD2 ASP A 99 45.315 11.749 10.534 1.00 6.03 O -ATOM 753 N GLU A 100 48.507 14.881 7.697 1.00 4.81 N -ATOM 754 CA GLU A 100 48.788 15.697 6.521 1.00 4.71 C -ATOM 755 C GLU A 100 49.282 17.079 6.934 1.00 4.39 C -ATOM 756 O GLU A 100 48.860 17.619 7.957 1.00 4.37 O -ATOM 757 CB GLU A 100 47.516 15.846 5.679 1.00 5.24 C -ATOM 758 CG GLU A 100 46.726 14.550 5.535 1.00 5.97 C -ATOM 759 CD GLU A 100 45.490 14.691 4.668 1.00 6.14 C -ATOM 760 OE1 GLU A 100 44.970 15.819 4.539 1.00 6.27 O -ATOM 761 OE2 GLU A 100 45.030 13.664 4.129 1.00 6.72 O -ATOM 762 N VAL A 101 50.180 17.644 6.136 1.00 4.26 N -ATOM 763 CA VAL A 101 50.724 18.970 6.397 1.00 4.57 C -ATOM 764 C VAL A 101 50.476 19.852 5.181 1.00 4.50 C -ATOM 765 O VAL A 101 50.837 19.486 4.064 1.00 4.71 O -ATOM 766 CB VAL A 101 52.250 18.920 6.666 1.00 4.87 C -ATOM 767 CG1 VAL A 101 52.803 20.341 6.808 1.00 5.25 C -ATOM 768 CG2 VAL A 101 52.526 18.125 7.938 1.00 5.20 C -ATOM 769 N ASP A 102 49.837 20.995 5.407 1.00 4.59 N -ATOM 770 CA ASP A 102 49.554 21.961 4.349 1.00 4.59 C -ATOM 771 C ASP A 102 50.585 23.079 4.548 1.00 4.30 C -ATOM 772 O ASP A 102 50.431 23.920 5.438 1.00 4.46 O -ATOM 773 CB ASP A 102 48.141 22.538 4.511 1.00 4.99 C -ATOM 774 CG ASP A 102 47.028 21.513 4.260 1.00 5.52 C -ATOM 775 OD1 ASP A 102 47.260 20.288 4.363 1.00 5.57 O -ATOM 776 OD2 ASP A 102 45.888 21.952 3.979 1.00 6.05 O -ATOM 777 N VAL A 103 51.634 23.089 3.730 1.00 4.09 N -ATOM 778 CA VAL A 103 52.696 24.087 3.856 1.00 4.11 C -ATOM 779 C VAL A 103 52.505 25.248 2.887 1.00 3.86 C -ATOM 780 O VAL A 103 52.022 25.055 1.771 1.00 4.01 O -ATOM 781 CB VAL A 103 54.085 23.436 3.599 1.00 4.07 C -ATOM 782 CG1 VAL A 103 54.215 23.029 2.136 1.00 4.19 C -ATOM 783 CG2 VAL A 103 55.203 24.391 3.991 1.00 4.29 C -ATOM 784 N VAL A 104 52.873 26.456 3.311 1.00 3.73 N -ATOM 785 CA VAL A 104 52.737 27.616 2.433 1.00 3.88 C -ATOM 786 C VAL A 104 53.981 27.793 1.569 1.00 4.01 C -ATOM 787 O VAL A 104 55.106 27.878 2.068 1.00 4.18 O -ATOM 788 CB VAL A 104 52.487 28.942 3.217 1.00 3.78 C -ATOM 789 CG1 VAL A 104 52.201 30.082 2.232 1.00 4.33 C -ATOM 790 CG2 VAL A 104 51.308 28.785 4.172 1.00 3.83 C -ATOM 791 N PHE A 105 53.754 27.818 0.263 1.00 3.97 N -ATOM 792 CA PHE A 105 54.797 28.002 -0.741 1.00 4.09 C -ATOM 793 C PHE A 105 55.392 29.411 -0.588 1.00 4.50 C -ATOM 794 O PHE A 105 54.687 30.344 -0.208 1.00 4.37 O -ATOM 795 CB PHE A 105 54.142 27.833 -2.120 1.00 4.37 C -ATOM 796 CG PHE A 105 55.084 27.953 -3.287 1.00 4.21 C -ATOM 797 CD1 PHE A 105 55.399 29.195 -3.831 1.00 4.70 C -ATOM 798 CD2 PHE A 105 55.609 26.810 -3.879 1.00 4.61 C -ATOM 799 CE1 PHE A 105 56.219 29.294 -4.955 1.00 4.34 C -ATOM 800 CE2 PHE A 105 56.430 26.897 -5.002 1.00 4.71 C -ATOM 801 CZ PHE A 105 56.735 28.142 -5.543 1.00 4.67 C -ATOM 802 N PRO A 106 56.703 29.578 -0.849 1.00 4.50 N -ATOM 803 CA PRO A 106 57.315 30.910 -0.727 1.00 4.82 C -ATOM 804 C PRO A 106 56.920 31.736 -1.953 1.00 4.81 C -ATOM 805 O PRO A 106 57.724 31.973 -2.866 1.00 5.10 O -ATOM 806 CB PRO A 106 58.810 30.600 -0.664 1.00 4.72 C -ATOM 807 CG PRO A 106 58.935 29.378 -1.506 1.00 4.88 C -ATOM 808 CD PRO A 106 57.722 28.550 -1.128 1.00 4.49 C -ATOM 809 N TYR A 107 55.668 32.184 -1.956 1.00 4.83 N -ATOM 810 CA TYR A 107 55.127 32.926 -3.083 1.00 4.99 C -ATOM 811 C TYR A 107 55.701 34.313 -3.327 1.00 5.29 C -ATOM 812 O TYR A 107 55.814 34.731 -4.477 1.00 5.21 O -ATOM 813 CB TYR A 107 53.594 32.968 -2.987 1.00 4.91 C -ATOM 814 CG TYR A 107 53.030 33.752 -1.831 1.00 4.89 C -ATOM 815 CD1 TYR A 107 52.849 35.131 -1.930 1.00 5.28 C -ATOM 816 CD2 TYR A 107 52.646 33.115 -0.648 1.00 4.85 C -ATOM 817 CE1 TYR A 107 52.297 35.858 -0.888 1.00 5.47 C -ATOM 818 CE2 TYR A 107 52.092 33.837 0.409 1.00 5.45 C -ATOM 819 CZ TYR A 107 51.918 35.210 0.278 1.00 5.62 C -ATOM 820 OH TYR A 107 51.360 35.947 1.299 1.00 6.34 O -ATOM 821 N ARG A 108 56.072 35.033 -2.273 1.00 5.41 N -ATOM 822 CA ARG A 108 56.655 36.353 -2.486 1.00 5.97 C -ATOM 823 C ARG A 108 58.017 36.195 -3.162 1.00 5.87 C -ATOM 824 O ARG A 108 58.396 37.001 -4.014 1.00 5.90 O -ATOM 825 CB ARG A 108 56.798 37.113 -1.164 1.00 6.84 C -ATOM 826 CG ARG A 108 55.481 37.641 -0.605 1.00 8.48 C -ATOM 827 CD ARG A 108 55.738 38.523 0.604 1.00 10.28 C -ATOM 828 NE ARG A 108 56.520 37.809 1.607 1.00 11.85 N -ATOM 829 CZ ARG A 108 56.017 36.916 2.450 1.00 12.61 C -ATOM 830 NH1 ARG A 108 54.721 36.633 2.424 1.00 13.59 N -ATOM 831 NH2 ARG A 108 56.814 36.281 3.297 1.00 12.72 N -ATOM 832 N ALA A 109 58.749 35.149 -2.791 1.00 5.79 N -ATOM 833 CA ALA A 109 60.051 34.899 -3.395 1.00 5.58 C -ATOM 834 C ALA A 109 59.868 34.619 -4.886 1.00 5.61 C -ATOM 835 O ALA A 109 60.637 35.100 -5.717 1.00 5.50 O -ATOM 836 CB ALA A 109 60.734 33.718 -2.710 1.00 6.04 C -ATOM 837 N LEU A 110 58.848 33.840 -5.226 1.00 5.74 N -ATOM 838 CA LEU A 110 58.593 33.536 -6.626 1.00 5.93 C -ATOM 839 C LEU A 110 58.277 34.825 -7.376 1.00 6.07 C -ATOM 840 O LEU A 110 58.788 35.060 -8.472 1.00 6.02 O -ATOM 841 CB LEU A 110 57.420 32.562 -6.767 1.00 6.12 C -ATOM 842 CG LEU A 110 56.987 32.306 -8.218 1.00 6.08 C -ATOM 843 CD1 LEU A 110 58.121 31.637 -8.996 1.00 6.42 C -ATOM 844 CD2 LEU A 110 55.739 31.434 -8.227 1.00 6.45 C -ATOM 845 N MET A 111 57.429 35.658 -6.782 1.00 6.04 N -ATOM 846 CA MET A 111 57.049 36.921 -7.400 1.00 6.65 C -ATOM 847 C MET A 111 58.269 37.812 -7.619 1.00 6.46 C -ATOM 848 O MET A 111 58.312 38.587 -8.574 1.00 6.56 O -ATOM 849 CB MET A 111 56.012 37.630 -6.529 1.00 7.26 C -ATOM 850 CG MET A 111 54.677 36.895 -6.461 1.00 8.21 C -ATOM 851 SD MET A 111 53.582 37.473 -5.140 1.00 9.35 S -ATOM 852 CE MET A 111 52.927 38.975 -5.873 1.00 9.67 C -ATOM 853 N ALA A 112 59.262 37.689 -6.741 1.00 6.38 N -ATOM 854 CA ALA A 112 60.485 38.482 -6.849 1.00 6.25 C -ATOM 855 C ALA A 112 61.467 37.881 -7.856 1.00 6.47 C -ATOM 856 O ALA A 112 62.512 38.474 -8.137 1.00 6.54 O -ATOM 857 CB ALA A 112 61.149 38.612 -5.483 1.00 6.29 C -ATOM 858 N GLY A 113 61.130 36.706 -8.387 1.00 6.56 N -ATOM 859 CA GLY A 113 61.979 36.063 -9.378 1.00 7.00 C -ATOM 860 C GLY A 113 62.695 34.785 -8.977 1.00 7.16 C -ATOM 861 O GLY A 113 63.451 34.227 -9.772 1.00 7.73 O -ATOM 862 N ASN A 114 62.455 34.303 -7.763 1.00 6.92 N -ATOM 863 CA ASN A 114 63.125 33.093 -7.294 1.00 7.08 C -ATOM 864 C ASN A 114 62.249 31.852 -7.435 1.00 7.34 C -ATOM 865 O ASN A 114 61.385 31.597 -6.594 1.00 7.46 O -ATOM 866 CB ASN A 114 63.529 33.259 -5.828 1.00 6.86 C -ATOM 867 CG ASN A 114 64.513 32.203 -5.370 1.00 6.97 C -ATOM 868 OD1 ASN A 114 64.603 31.127 -5.959 1.00 7.03 O -ATOM 869 ND2 ASN A 114 65.247 32.502 -4.303 1.00 6.97 N -ATOM 870 N GLU A 115 62.470 31.083 -8.495 1.00 7.69 N -ATOM 871 CA GLU A 115 61.694 29.866 -8.715 1.00 8.25 C -ATOM 872 C GLU A 115 62.316 28.682 -7.981 1.00 8.02 C -ATOM 873 O GLU A 115 61.630 27.716 -7.646 1.00 8.25 O -ATOM 874 CB GLU A 115 61.623 29.530 -10.206 1.00 8.96 C -ATOM 875 CG GLU A 115 61.070 30.641 -11.082 1.00 10.62 C -ATOM 876 CD GLU A 115 60.777 30.173 -12.496 1.00 11.45 C -ATOM 877 OE1 GLU A 115 61.269 29.091 -12.880 1.00 12.44 O -ATOM 878 OE2 GLU A 115 60.061 30.893 -13.226 1.00 12.56 O -ATOM 879 N GLN A 116 63.615 28.768 -7.719 1.00 7.72 N -ATOM 880 CA GLN A 116 64.331 27.682 -7.065 1.00 7.48 C -ATOM 881 C GLN A 116 63.988 27.440 -5.603 1.00 7.11 C -ATOM 882 O GLN A 116 63.856 26.290 -5.186 1.00 6.97 O -ATOM 883 CB GLN A 116 65.841 27.901 -7.198 1.00 8.05 C -ATOM 884 CG GLN A 116 66.681 26.686 -6.823 1.00 9.20 C -ATOM 885 CD GLN A 116 66.382 25.486 -7.705 1.00 10.00 C -ATOM 886 OE1 GLN A 116 66.328 25.603 -8.929 1.00 10.90 O -ATOM 887 NE2 GLN A 116 66.194 24.326 -7.088 1.00 10.60 N -ATOM 888 N VAL A 117 63.843 28.504 -4.820 1.00 6.59 N -ATOM 889 CA VAL A 117 63.548 28.332 -3.403 1.00 6.66 C -ATOM 890 C VAL A 117 62.227 27.599 -3.173 1.00 6.35 C -ATOM 891 O VAL A 117 62.122 26.784 -2.258 1.00 6.28 O -ATOM 892 CB VAL A 117 63.563 29.697 -2.643 1.00 6.68 C -ATOM 893 CG1 VAL A 117 62.383 30.570 -3.059 1.00 7.13 C -ATOM 894 CG2 VAL A 117 63.556 29.449 -1.139 1.00 7.08 C -ATOM 895 N GLY A 118 61.229 27.872 -4.009 1.00 6.08 N -ATOM 896 CA GLY A 118 59.947 27.200 -3.869 1.00 5.76 C -ATOM 897 C GLY A 118 60.096 25.709 -4.111 1.00 5.31 C -ATOM 898 O GLY A 118 59.502 24.883 -3.412 1.00 5.76 O -ATOM 899 N PHE A 119 60.892 25.356 -5.114 1.00 5.29 N -ATOM 900 CA PHE A 119 61.121 23.956 -5.423 1.00 5.12 C -ATOM 901 C PHE A 119 61.849 23.295 -4.256 1.00 5.29 C -ATOM 902 O PHE A 119 61.442 22.237 -3.779 1.00 4.99 O -ATOM 903 CB PHE A 119 61.946 23.825 -6.708 1.00 5.15 C -ATOM 904 CG PHE A 119 62.264 22.404 -7.080 1.00 5.27 C -ATOM 905 CD1 PHE A 119 63.366 21.755 -6.531 1.00 5.75 C -ATOM 906 CD2 PHE A 119 61.448 21.708 -7.963 1.00 5.43 C -ATOM 907 CE1 PHE A 119 63.650 20.432 -6.857 1.00 5.91 C -ATOM 908 CE2 PHE A 119 61.721 20.384 -8.297 1.00 5.56 C -ATOM 909 CZ PHE A 119 62.825 19.744 -7.743 1.00 5.82 C -ATOM 910 N ASP A 120 62.910 23.938 -3.778 1.00 5.53 N -ATOM 911 CA ASP A 120 63.687 23.388 -2.672 1.00 5.89 C -ATOM 912 C ASP A 120 62.896 23.264 -1.370 1.00 5.72 C -ATOM 913 O ASP A 120 63.047 22.287 -0.638 1.00 5.71 O -ATOM 914 CB ASP A 120 64.933 24.236 -2.409 1.00 6.64 C -ATOM 915 CG ASP A 120 65.920 24.216 -3.560 1.00 7.58 C -ATOM 916 OD1 ASP A 120 65.853 23.305 -4.412 1.00 8.27 O -ATOM 917 OD2 ASP A 120 66.783 25.118 -3.595 1.00 8.70 O -ATOM 918 N LEU A 121 62.057 24.251 -1.076 1.00 5.49 N -ATOM 919 CA LEU A 121 61.274 24.227 0.155 1.00 5.42 C -ATOM 920 C LEU A 121 60.251 23.100 0.129 1.00 5.39 C -ATOM 921 O LEU A 121 60.147 22.326 1.080 1.00 5.37 O -ATOM 922 CB LEU A 121 60.581 25.579 0.363 1.00 5.44 C -ATOM 923 CG LEU A 121 59.962 25.844 1.739 1.00 5.40 C -ATOM 924 CD1 LEU A 121 59.977 27.339 2.029 1.00 5.70 C -ATOM 925 CD2 LEU A 121 58.547 25.292 1.794 1.00 5.63 C -ATOM 926 N VAL A 122 59.497 22.999 -0.960 1.00 5.42 N -ATOM 927 CA VAL A 122 58.503 21.944 -1.073 1.00 5.34 C -ATOM 928 C VAL A 122 59.178 20.576 -1.059 1.00 5.46 C -ATOM 929 O VAL A 122 58.708 19.656 -0.396 1.00 5.13 O -ATOM 930 CB VAL A 122 57.671 22.095 -2.367 1.00 5.26 C -ATOM 931 CG1 VAL A 122 56.777 20.877 -2.562 1.00 5.44 C -ATOM 932 CG2 VAL A 122 56.826 23.350 -2.288 1.00 5.61 C -ATOM 933 N LYS A 123 60.286 20.440 -1.780 1.00 5.72 N -ATOM 934 CA LYS A 123 60.987 19.161 -1.821 1.00 6.12 C -ATOM 935 C LYS A 123 61.456 18.728 -0.434 1.00 5.93 C -ATOM 936 O LYS A 123 61.302 17.566 -0.057 1.00 5.63 O -ATOM 937 CB LYS A 123 62.176 19.238 -2.781 1.00 7.07 C -ATOM 938 CG LYS A 123 62.902 17.910 -2.960 1.00 8.58 C -ATOM 939 CD LYS A 123 64.002 18.007 -4.009 1.00 10.12 C -ATOM 940 CE LYS A 123 64.704 16.668 -4.199 1.00 11.24 C -ATOM 941 NZ LYS A 123 65.772 16.741 -5.238 1.00 12.57 N -ATOM 942 N ALA A 124 62.019 19.658 0.333 1.00 5.90 N -ATOM 943 CA ALA A 124 62.492 19.332 1.677 1.00 5.74 C -ATOM 944 C ALA A 124 61.349 18.874 2.582 1.00 5.93 C -ATOM 945 O ALA A 124 61.478 17.890 3.308 1.00 5.72 O -ATOM 946 CB ALA A 124 63.194 20.535 2.288 1.00 5.88 C -ATOM 947 N CYS A 125 60.227 19.584 2.534 1.00 6.08 N -ATOM 948 CA CYS A 125 59.083 19.235 3.366 1.00 7.05 C -ATOM 949 C CYS A 125 58.470 17.918 2.915 1.00 6.17 C -ATOM 950 O CYS A 125 58.048 17.111 3.746 1.00 5.62 O -ATOM 951 CB CYS A 125 58.019 20.322 3.297 1.00 8.46 C -ATOM 952 SG CYS A 125 57.063 20.236 1.800 1.00 15.85 S -ATOM 953 N LYS A 126 58.404 17.707 1.602 1.00 5.77 N -ATOM 954 CA LYS A 126 57.849 16.466 1.073 1.00 5.84 C -ATOM 955 C LYS A 126 58.697 15.288 1.540 1.00 6.12 C -ATOM 956 O LYS A 126 58.165 14.248 1.908 1.00 6.05 O -ATOM 957 CB LYS A 126 57.800 16.506 -0.459 1.00 5.79 C -ATOM 958 CG LYS A 126 57.422 15.176 -1.120 1.00 5.83 C -ATOM 959 CD LYS A 126 56.039 14.679 -0.705 1.00 6.02 C -ATOM 960 CE LYS A 126 55.714 13.318 -1.339 1.00 6.25 C -ATOM 961 NZ LYS A 126 55.611 13.393 -2.826 1.00 7.02 N -ATOM 962 N GLU A 127 60.017 15.453 1.533 1.00 6.22 N -ATOM 963 CA GLU A 127 60.895 14.374 1.967 1.00 6.55 C -ATOM 964 C GLU A 127 60.577 13.956 3.401 1.00 6.14 C -ATOM 965 O GLU A 127 60.490 12.770 3.707 1.00 5.93 O -ATOM 966 CB GLU A 127 62.365 14.793 1.868 1.00 7.46 C -ATOM 967 CG GLU A 127 63.325 13.725 2.382 1.00 8.64 C -ATOM 968 CD GLU A 127 64.788 14.116 2.260 1.00 9.51 C -ATOM 969 OE1 GLU A 127 65.138 15.247 2.657 1.00 10.26 O -ATOM 970 OE2 GLU A 127 65.589 13.283 1.776 1.00 9.95 O -ATOM 971 N ALA A 128 60.392 14.935 4.279 1.00 5.75 N -ATOM 972 CA ALA A 128 60.086 14.649 5.674 1.00 5.48 C -ATOM 973 C ALA A 128 58.722 13.985 5.813 1.00 5.44 C -ATOM 974 O ALA A 128 58.566 13.007 6.541 1.00 5.24 O -ATOM 975 CB ALA A 128 60.129 15.933 6.493 1.00 5.55 C -ATOM 976 N CYS A 129 57.728 14.515 5.111 1.00 5.46 N -ATOM 977 CA CYS A 129 56.389 13.948 5.191 1.00 5.41 C -ATOM 978 C CYS A 129 56.325 12.528 4.645 1.00 5.43 C -ATOM 979 O CYS A 129 55.777 11.636 5.291 1.00 5.23 O -ATOM 980 CB CYS A 129 55.394 14.841 4.448 1.00 5.31 C -ATOM 981 SG CYS A 129 55.070 16.421 5.280 1.00 5.90 S -ATOM 982 N ALA A 130 56.885 12.315 3.460 1.00 5.44 N -ATOM 983 CA ALA A 130 56.877 10.991 2.852 1.00 5.63 C -ATOM 984 C ALA A 130 57.535 9.966 3.771 1.00 6.02 C -ATOM 985 O ALA A 130 57.069 8.834 3.876 1.00 6.03 O -ATOM 986 CB ALA A 130 57.597 11.029 1.512 1.00 5.94 C -ATOM 987 N ALA A 131 58.613 10.364 4.437 1.00 6.03 N -ATOM 988 CA ALA A 131 59.324 9.460 5.338 1.00 6.28 C -ATOM 989 C ALA A 131 58.474 9.047 6.537 1.00 6.47 C -ATOM 990 O ALA A 131 58.782 8.067 7.211 1.00 6.77 O -ATOM 991 CB ALA A 131 60.615 10.110 5.810 1.00 6.54 C -ATOM 992 N ALA A 132 57.405 9.795 6.800 1.00 6.29 N -ATOM 993 CA ALA A 132 56.518 9.501 7.923 1.00 6.47 C -ATOM 994 C ALA A 132 55.118 9.106 7.450 1.00 6.50 C -ATOM 995 O ALA A 132 54.190 9.023 8.252 1.00 6.41 O -ATOM 996 CB ALA A 132 56.428 10.718 8.845 1.00 6.32 C -ATOM 997 N ASN A 133 54.974 8.860 6.149 1.00 6.83 N -ATOM 998 CA ASN A 133 53.685 8.489 5.564 1.00 7.18 C -ATOM 999 C ASN A 133 52.631 9.558 5.826 1.00 6.92 C -ATOM 1000 O ASN A 133 51.481 9.267 6.159 1.00 7.33 O -ATOM 1001 CB ASN A 133 53.225 7.136 6.106 1.00 8.13 C -ATOM 1002 CG ASN A 133 54.168 6.019 5.721 1.00 9.22 C -ATOM 1003 OD1 ASN A 133 54.456 5.816 4.541 1.00 10.52 O -ATOM 1004 ND2 ASN A 133 54.660 5.290 6.713 1.00 10.27 N -ATOM 1005 N VAL A 134 53.051 10.805 5.647 1.00 6.21 N -ATOM 1006 CA VAL A 134 52.216 11.984 5.835 1.00 5.83 C -ATOM 1007 C VAL A 134 52.102 12.656 4.468 1.00 5.58 C -ATOM 1008 O VAL A 134 53.094 12.773 3.758 1.00 5.42 O -ATOM 1009 CB VAL A 134 52.888 12.943 6.855 1.00 5.55 C -ATOM 1010 CG1 VAL A 134 52.200 14.297 6.858 1.00 5.38 C -ATOM 1011 CG2 VAL A 134 52.838 12.322 8.245 1.00 5.41 C -ATOM 1012 N LEU A 135 50.894 13.062 4.082 1.00 5.64 N -ATOM 1013 CA LEU A 135 50.705 13.727 2.795 1.00 5.60 C -ATOM 1014 C LEU A 135 51.035 15.205 2.926 1.00 5.14 C -ATOM 1015 O LEU A 135 50.834 15.805 3.983 1.00 5.26 O -ATOM 1016 CB LEU A 135 49.261 13.579 2.307 1.00 6.27 C -ATOM 1017 CG LEU A 135 48.754 12.180 1.954 1.00 6.97 C -ATOM 1018 CD1 LEU A 135 47.306 12.278 1.497 1.00 7.47 C -ATOM 1019 CD2 LEU A 135 49.622 11.566 0.866 1.00 7.57 C -ATOM 1020 N LEU A 136 51.542 15.791 1.848 1.00 4.87 N -ATOM 1021 CA LEU A 136 51.895 17.199 1.846 1.00 4.50 C -ATOM 1022 C LEU A 136 51.070 17.998 0.849 1.00 4.37 C -ATOM 1023 O LEU A 136 51.066 17.695 -0.345 1.00 4.45 O -ATOM 1024 CB LEU A 136 53.372 17.377 1.497 1.00 4.75 C -ATOM 1025 CG LEU A 136 53.798 18.843 1.424 1.00 4.77 C -ATOM 1026 CD1 LEU A 136 54.168 19.352 2.817 1.00 5.22 C -ATOM 1027 CD2 LEU A 136 54.964 18.964 0.463 1.00 5.49 C -ATOM 1028 N LYS A 137 50.356 19.005 1.343 1.00 4.05 N -ATOM 1029 CA LYS A 137 49.588 19.882 0.470 1.00 3.94 C -ATOM 1030 C LYS A 137 50.405 21.167 0.416 1.00 3.69 C -ATOM 1031 O LYS A 137 51.074 21.528 1.391 1.00 3.71 O -ATOM 1032 CB LYS A 137 48.199 20.196 1.045 1.00 3.77 C -ATOM 1033 CG LYS A 137 47.357 18.980 1.418 1.00 3.83 C -ATOM 1034 CD LYS A 137 45.879 19.359 1.483 1.00 4.41 C -ATOM 1035 CE LYS A 137 45.060 18.338 2.259 1.00 4.33 C -ATOM 1036 NZ LYS A 137 45.162 18.530 3.740 1.00 5.02 N -ATOM 1037 N VAL A 138 50.369 21.853 -0.719 1.00 3.71 N -ATOM 1038 CA VAL A 138 51.116 23.097 -0.857 1.00 4.02 C -ATOM 1039 C VAL A 138 50.191 24.266 -1.181 1.00 4.08 C -ATOM 1040 O VAL A 138 49.494 24.260 -2.196 1.00 4.42 O -ATOM 1041 CB VAL A 138 52.201 22.980 -1.951 1.00 3.93 C -ATOM 1042 CG1 VAL A 138 52.934 24.313 -2.108 1.00 4.02 C -ATOM 1043 CG2 VAL A 138 53.187 21.877 -1.579 1.00 4.48 C -ATOM 1044 N ILE A 139 50.189 25.264 -0.302 1.00 4.24 N -ATOM 1045 CA ILE A 139 49.366 26.459 -0.463 1.00 4.34 C -ATOM 1046 C ILE A 139 50.155 27.486 -1.270 1.00 4.42 C -ATOM 1047 O ILE A 139 51.215 27.938 -0.834 1.00 4.74 O -ATOM 1048 CB ILE A 139 49.035 27.082 0.913 1.00 4.50 C -ATOM 1049 CG1 ILE A 139 48.360 26.046 1.816 1.00 4.66 C -ATOM 1050 CG2 ILE A 139 48.147 28.306 0.732 1.00 4.76 C -ATOM 1051 CD1 ILE A 139 48.403 26.412 3.298 1.00 5.04 C -ATOM 1052 N ILE A 140 49.650 27.871 -2.439 1.00 4.49 N -ATOM 1053 CA ILE A 140 50.378 28.841 -3.249 1.00 4.63 C -ATOM 1054 C ILE A 140 49.916 30.294 -3.090 1.00 4.75 C -ATOM 1055 O ILE A 140 50.588 31.210 -3.557 1.00 4.86 O -ATOM 1056 CB ILE A 140 50.372 28.449 -4.754 1.00 4.57 C -ATOM 1057 CG1 ILE A 140 48.949 28.419 -5.309 1.00 4.50 C -ATOM 1058 CG2 ILE A 140 51.025 27.083 -4.932 1.00 4.75 C -ATOM 1059 CD1 ILE A 140 48.911 28.288 -6.827 1.00 5.03 C -ATOM 1060 N GLU A 141 48.789 30.492 -2.406 1.00 4.55 N -ATOM 1061 CA GLU A 141 48.207 31.818 -2.155 1.00 4.60 C -ATOM 1062 C GLU A 141 47.871 32.560 -3.448 1.00 4.70 C -ATOM 1063 O GLU A 141 48.443 33.611 -3.756 1.00 4.67 O -ATOM 1064 CB GLU A 141 49.143 32.669 -1.285 1.00 4.53 C -ATOM 1065 CG GLU A 141 48.433 33.792 -0.515 1.00 4.51 C -ATOM 1066 CD GLU A 141 47.554 33.277 0.620 1.00 4.45 C -ATOM 1067 OE1 GLU A 141 46.530 32.607 0.349 1.00 4.94 O -ATOM 1068 OE2 GLU A 141 47.889 33.549 1.794 1.00 4.63 O -ATOM 1069 N THR A 142 46.922 31.997 -4.192 1.00 5.04 N -ATOM 1070 CA THR A 142 46.474 32.552 -5.463 1.00 5.44 C -ATOM 1071 C THR A 142 46.042 34.016 -5.383 1.00 5.65 C -ATOM 1072 O THR A 142 46.237 34.774 -6.334 1.00 5.79 O -ATOM 1073 CB THR A 142 45.299 31.727 -6.024 1.00 5.54 C -ATOM 1074 OG1 THR A 142 44.269 31.629 -5.034 1.00 5.88 O -ATOM 1075 CG2 THR A 142 45.764 30.330 -6.402 1.00 5.62 C -ATOM 1076 N GLY A 143 45.460 34.404 -4.250 1.00 6.02 N -ATOM 1077 CA GLY A 143 44.998 35.770 -4.067 1.00 6.87 C -ATOM 1078 C GLY A 143 46.103 36.802 -4.116 1.00 7.36 C -ATOM 1079 O GLY A 143 45.872 37.947 -4.508 1.00 8.18 O -ATOM 1080 N GLU A 144 47.306 36.408 -3.711 1.00 7.66 N -ATOM 1081 CA GLU A 144 48.446 37.314 -3.725 1.00 8.02 C -ATOM 1082 C GLU A 144 49.239 37.190 -5.023 1.00 7.96 C -ATOM 1083 O GLU A 144 49.779 38.184 -5.517 1.00 7.80 O -ATOM 1084 CB GLU A 144 49.347 37.048 -2.517 1.00 8.51 C -ATOM 1085 CG GLU A 144 48.704 37.425 -1.190 1.00 9.30 C -ATOM 1086 CD GLU A 144 48.280 38.882 -1.137 1.00 9.98 C -ATOM 1087 OE1 GLU A 144 49.148 39.762 -1.313 1.00 10.87 O -ATOM 1088 OE2 GLU A 144 47.080 39.151 -0.919 1.00 10.71 O -ATOM 1089 N LEU A 145 49.314 35.981 -5.576 1.00 7.92 N -ATOM 1090 CA LEU A 145 50.025 35.779 -6.838 1.00 8.15 C -ATOM 1091 C LEU A 145 49.295 36.596 -7.898 1.00 8.57 C -ATOM 1092 O LEU A 145 49.919 37.216 -8.757 1.00 8.43 O -ATOM 1093 CB LEU A 145 50.041 34.297 -7.224 1.00 7.93 C -ATOM 1094 CG LEU A 145 50.947 33.405 -6.369 1.00 7.52 C -ATOM 1095 CD1 LEU A 145 50.779 31.950 -6.793 1.00 7.71 C -ATOM 1096 CD2 LEU A 145 52.399 33.846 -6.516 1.00 7.86 C -ATOM 1097 N LYS A 146 47.966 36.564 -7.831 1.00 9.05 N -ATOM 1098 CA LYS A 146 47.102 37.333 -8.723 1.00 9.98 C -ATOM 1099 C LYS A 146 47.087 36.963 -10.205 1.00 9.98 C -ATOM 1100 O LYS A 146 46.028 36.665 -10.763 1.00 10.01 O -ATOM 1101 CB LYS A 146 47.449 38.817 -8.585 1.00 10.80 C -ATOM 1102 CG LYS A 146 46.396 39.774 -9.111 1.00 12.28 C -ATOM 1103 CD LYS A 146 46.848 41.222 -8.957 1.00 13.41 C -ATOM 1104 CE LYS A 146 47.424 41.501 -7.569 1.00 14.13 C -ATOM 1105 NZ LYS A 146 46.483 41.166 -6.462 1.00 14.90 N -ATOM 1106 N ASP A 147 48.252 36.998 -10.843 1.00 10.21 N -ATOM 1107 CA ASP A 147 48.345 36.702 -12.269 1.00 10.46 C -ATOM 1108 C ASP A 147 48.282 35.219 -12.602 1.00 10.08 C -ATOM 1109 O ASP A 147 48.887 34.390 -11.921 1.00 9.87 O -ATOM 1110 CB ASP A 147 49.629 37.299 -12.845 1.00 11.86 C -ATOM 1111 CG ASP A 147 49.767 38.778 -12.545 1.00 13.15 C -ATOM 1112 OD1 ASP A 147 48.786 39.525 -12.749 1.00 14.33 O -ATOM 1113 OD2 ASP A 147 50.860 39.194 -12.106 1.00 14.65 O -ATOM 1114 N GLU A 148 47.554 34.897 -13.666 1.00 9.68 N -ATOM 1115 CA GLU A 148 47.395 33.518 -14.111 1.00 9.56 C -ATOM 1116 C GLU A 148 48.733 32.820 -14.327 1.00 9.01 C -ATOM 1117 O GLU A 148 48.905 31.667 -13.935 1.00 8.83 O -ATOM 1118 CB GLU A 148 46.585 33.469 -15.409 1.00 10.28 C -ATOM 1119 CG GLU A 148 46.252 32.055 -15.866 1.00 11.64 C -ATOM 1120 CD GLU A 148 45.444 32.024 -17.149 1.00 12.58 C -ATOM 1121 OE1 GLU A 148 44.593 32.919 -17.335 1.00 13.61 O -ATOM 1122 OE2 GLU A 148 45.651 31.097 -17.962 1.00 13.64 O -ATOM 1123 N ALA A 149 49.678 33.517 -14.950 1.00 8.45 N -ATOM 1124 CA ALA A 149 50.992 32.938 -15.216 1.00 7.89 C -ATOM 1125 C ALA A 149 51.714 32.539 -13.931 1.00 7.53 C -ATOM 1126 O ALA A 149 52.351 31.487 -13.874 1.00 7.32 O -ATOM 1127 CB ALA A 149 51.845 33.922 -16.013 1.00 8.37 C -ATOM 1128 N LEU A 150 51.619 33.378 -12.905 1.00 7.18 N -ATOM 1129 CA LEU A 150 52.268 33.090 -11.631 1.00 7.09 C -ATOM 1130 C LEU A 150 51.575 31.938 -10.910 1.00 6.83 C -ATOM 1131 O LEU A 150 52.225 31.122 -10.258 1.00 6.78 O -ATOM 1132 CB LEU A 150 52.281 34.341 -10.744 1.00 7.61 C -ATOM 1133 CG LEU A 150 53.345 35.400 -11.059 1.00 8.09 C -ATOM 1134 CD1 LEU A 150 53.058 36.670 -10.275 1.00 8.33 C -ATOM 1135 CD2 LEU A 150 54.730 34.861 -10.711 1.00 8.75 C -ATOM 1136 N ILE A 151 50.253 31.874 -11.019 1.00 6.57 N -ATOM 1137 CA ILE A 151 49.507 30.798 -10.388 1.00 6.35 C -ATOM 1138 C ILE A 151 49.898 29.476 -11.046 1.00 6.45 C -ATOM 1139 O ILE A 151 50.105 28.473 -10.365 1.00 5.93 O -ATOM 1140 CB ILE A 151 47.985 31.038 -10.506 1.00 6.32 C -ATOM 1141 CG1 ILE A 151 47.588 32.226 -9.622 1.00 6.27 C -ATOM 1142 CG2 ILE A 151 47.219 29.781 -10.102 1.00 6.17 C -ATOM 1143 CD1 ILE A 151 46.148 32.668 -9.769 1.00 6.89 C -ATOM 1144 N ARG A 152 50.017 29.470 -12.371 1.00 6.49 N -ATOM 1145 CA ARG A 152 50.418 28.247 -13.054 1.00 6.90 C -ATOM 1146 C ARG A 152 51.843 27.873 -12.665 1.00 6.69 C -ATOM 1147 O ARG A 152 52.128 26.708 -12.402 1.00 6.74 O -ATOM 1148 CB ARG A 152 50.336 28.405 -14.574 1.00 7.50 C -ATOM 1149 CG ARG A 152 48.919 28.441 -15.125 1.00 8.53 C -ATOM 1150 CD ARG A 152 48.921 28.404 -16.647 1.00 9.59 C -ATOM 1151 NE ARG A 152 47.607 28.718 -17.207 1.00 10.56 N -ATOM 1152 CZ ARG A 152 46.554 27.907 -17.170 1.00 11.15 C -ATOM 1153 NH1 ARG A 152 46.647 26.712 -16.603 1.00 11.50 N -ATOM 1154 NH2 ARG A 152 45.399 28.301 -17.687 1.00 12.03 N -ATOM 1155 N LYS A 153 52.736 28.860 -12.620 1.00 6.44 N -ATOM 1156 CA LYS A 153 54.129 28.590 -12.275 1.00 6.44 C -ATOM 1157 C LYS A 153 54.289 28.012 -10.871 1.00 6.04 C -ATOM 1158 O LYS A 153 55.019 27.040 -10.681 1.00 5.79 O -ATOM 1159 CB LYS A 153 54.975 29.861 -12.421 1.00 6.84 C -ATOM 1160 CG LYS A 153 56.474 29.649 -12.208 1.00 7.78 C -ATOM 1161 CD LYS A 153 57.047 28.548 -13.104 1.00 8.85 C -ATOM 1162 CE LYS A 153 56.963 28.896 -14.585 1.00 9.46 C -ATOM 1163 NZ LYS A 153 57.525 27.804 -15.436 1.00 10.60 N -ATOM 1164 N ALA A 154 53.608 28.598 -9.889 1.00 5.47 N -ATOM 1165 CA ALA A 154 53.701 28.102 -8.520 1.00 5.35 C -ATOM 1166 C ALA A 154 53.147 26.682 -8.442 1.00 5.35 C -ATOM 1167 O ALA A 154 53.677 25.834 -7.720 1.00 5.25 O -ATOM 1168 CB ALA A 154 52.935 29.023 -7.571 1.00 5.08 C -ATOM 1169 N SER A 155 52.078 26.420 -9.188 1.00 5.25 N -ATOM 1170 CA SER A 155 51.474 25.091 -9.197 1.00 5.38 C -ATOM 1171 C SER A 155 52.435 24.076 -9.810 1.00 5.48 C -ATOM 1172 O SER A 155 52.625 22.982 -9.280 1.00 5.25 O -ATOM 1173 CB SER A 155 50.172 25.101 -10.004 1.00 5.42 C -ATOM 1174 OG SER A 155 49.201 25.952 -9.417 1.00 5.45 O -ATOM 1175 N GLU A 156 53.039 24.452 -10.932 1.00 5.88 N -ATOM 1176 CA GLU A 156 53.974 23.580 -11.631 1.00 6.32 C -ATOM 1177 C GLU A 156 55.191 23.259 -10.770 1.00 5.88 C -ATOM 1178 O GLU A 156 55.597 22.104 -10.669 1.00 5.69 O -ATOM 1179 CB GLU A 156 54.408 24.234 -12.943 1.00 7.52 C -ATOM 1180 CG GLU A 156 53.244 24.531 -13.885 1.00 10.19 C -ATOM 1181 CD GLU A 156 53.668 25.276 -15.133 1.00 11.27 C -ATOM 1182 OE1 GLU A 156 54.669 26.021 -15.070 1.00 12.40 O -ATOM 1183 OE2 GLU A 156 52.986 25.130 -16.172 1.00 12.73 O -ATOM 1184 N ILE A 157 55.773 24.281 -10.150 1.00 5.27 N -ATOM 1185 CA ILE A 157 56.940 24.078 -9.295 1.00 5.18 C -ATOM 1186 C ILE A 157 56.596 23.163 -8.123 1.00 5.05 C -ATOM 1187 O ILE A 157 57.350 22.243 -7.799 1.00 5.13 O -ATOM 1188 CB ILE A 157 57.462 25.421 -8.745 1.00 4.98 C -ATOM 1189 CG1 ILE A 157 57.957 26.297 -9.897 1.00 5.14 C -ATOM 1190 CG2 ILE A 157 58.592 25.179 -7.759 1.00 5.36 C -ATOM 1191 CD1 ILE A 157 58.258 27.728 -9.486 1.00 5.27 C -ATOM 1192 N SER A 158 55.451 23.417 -7.494 1.00 4.96 N -ATOM 1193 CA SER A 158 55.004 22.616 -6.359 1.00 4.85 C -ATOM 1194 C SER A 158 54.833 21.157 -6.760 1.00 4.82 C -ATOM 1195 O SER A 158 55.246 20.249 -6.039 1.00 5.09 O -ATOM 1196 CB SER A 158 53.684 23.167 -5.812 1.00 5.09 C -ATOM 1197 OG SER A 158 53.855 24.482 -5.308 1.00 4.96 O -ATOM 1198 N ILE A 159 54.223 20.930 -7.918 1.00 4.91 N -ATOM 1199 CA ILE A 159 54.012 19.575 -8.403 1.00 4.97 C -ATOM 1200 C ILE A 159 55.340 18.877 -8.689 1.00 5.15 C -ATOM 1201 O ILE A 159 55.549 17.737 -8.277 1.00 4.88 O -ATOM 1202 CB ILE A 159 53.117 19.591 -9.664 1.00 4.98 C -ATOM 1203 CG1 ILE A 159 51.687 19.962 -9.257 1.00 5.43 C -ATOM 1204 CG2 ILE A 159 53.152 18.230 -10.369 1.00 5.12 C -ATOM 1205 CD1 ILE A 159 50.763 20.270 -10.422 1.00 5.26 C -ATOM 1206 N LYS A 160 56.246 19.565 -9.373 1.00 5.47 N -ATOM 1207 CA LYS A 160 57.546 18.981 -9.691 1.00 5.63 C -ATOM 1208 C LYS A 160 58.341 18.649 -8.429 1.00 5.68 C -ATOM 1209 O LYS A 160 59.088 17.667 -8.394 1.00 6.04 O -ATOM 1210 CB LYS A 160 58.349 19.939 -10.578 1.00 6.20 C -ATOM 1211 CG LYS A 160 57.788 20.087 -11.986 1.00 7.28 C -ATOM 1212 CD LYS A 160 58.568 21.108 -12.798 1.00 8.31 C -ATOM 1213 CE LYS A 160 58.027 21.212 -14.217 1.00 9.11 C -ATOM 1214 NZ LYS A 160 58.781 22.201 -15.034 1.00 10.14 N -ATOM 1215 N ALA A 161 58.164 19.466 -7.396 1.00 5.46 N -ATOM 1216 CA ALA A 161 58.863 19.275 -6.131 1.00 5.50 C -ATOM 1217 C ALA A 161 58.277 18.152 -5.273 1.00 5.52 C -ATOM 1218 O ALA A 161 58.851 17.792 -4.249 1.00 5.86 O -ATOM 1219 CB ALA A 161 58.879 20.585 -5.347 1.00 5.76 C -ATOM 1220 N GLY A 162 57.131 17.613 -5.678 1.00 5.07 N -ATOM 1221 CA GLY A 162 56.537 16.515 -4.933 1.00 4.96 C -ATOM 1222 C GLY A 162 55.237 16.743 -4.183 1.00 4.82 C -ATOM 1223 O GLY A 162 54.850 15.902 -3.376 1.00 5.19 O -ATOM 1224 N ALA A 163 54.549 17.851 -4.435 1.00 4.89 N -ATOM 1225 CA ALA A 163 53.287 18.113 -3.745 1.00 4.69 C -ATOM 1226 C ALA A 163 52.268 16.998 -3.969 1.00 4.62 C -ATOM 1227 O ALA A 163 52.105 16.516 -5.093 1.00 4.67 O -ATOM 1228 CB ALA A 163 52.700 19.430 -4.222 1.00 4.68 C -ATOM 1229 N ASP A 164 51.575 16.595 -2.904 1.00 4.69 N -ATOM 1230 CA ASP A 164 50.547 15.559 -3.020 1.00 4.64 C -ATOM 1231 C ASP A 164 49.204 16.228 -3.312 1.00 4.66 C -ATOM 1232 O ASP A 164 48.271 15.588 -3.798 1.00 4.70 O -ATOM 1233 CB ASP A 164 50.450 14.737 -1.733 1.00 4.88 C -ATOM 1234 CG ASP A 164 51.737 13.993 -1.419 1.00 5.18 C -ATOM 1235 OD1 ASP A 164 52.271 13.309 -2.318 1.00 5.96 O -ATOM 1236 OD2 ASP A 164 52.217 14.078 -0.270 1.00 5.41 O -ATOM 1237 N PHE A 165 49.130 17.521 -2.999 1.00 4.55 N -ATOM 1238 CA PHE A 165 47.947 18.356 -3.221 1.00 4.82 C -ATOM 1239 C PHE A 165 48.438 19.778 -3.456 1.00 4.76 C -ATOM 1240 O PHE A 165 49.468 20.177 -2.913 1.00 4.64 O -ATOM 1241 CB PHE A 165 47.077 18.475 -1.960 1.00 5.48 C -ATOM 1242 CG PHE A 165 46.007 17.438 -1.809 1.00 6.11 C -ATOM 1243 CD1 PHE A 165 46.289 16.202 -1.243 1.00 6.56 C -ATOM 1244 CD2 PHE A 165 44.689 17.739 -2.140 1.00 6.28 C -ATOM 1245 CE1 PHE A 165 45.273 15.284 -1.000 1.00 7.21 C -ATOM 1246 CE2 PHE A 165 43.668 16.830 -1.901 1.00 6.96 C -ATOM 1247 CZ PHE A 165 43.960 15.600 -1.328 1.00 7.16 C -ATOM 1248 N ILE A 166 47.709 20.539 -4.261 1.00 4.82 N -ATOM 1249 CA ILE A 166 48.027 21.954 -4.401 1.00 4.60 C -ATOM 1250 C ILE A 166 46.758 22.633 -3.886 1.00 4.66 C -ATOM 1251 O ILE A 166 45.638 22.259 -4.246 1.00 4.87 O -ATOM 1252 CB ILE A 166 48.410 22.398 -5.849 1.00 5.00 C -ATOM 1253 CG1 ILE A 166 47.383 21.939 -6.882 1.00 5.07 C -ATOM 1254 CG2 ILE A 166 49.806 21.875 -6.172 1.00 5.05 C -ATOM 1255 CD1 ILE A 166 47.686 22.473 -8.284 1.00 5.57 C -ATOM 1256 N LYS A 167 46.960 23.608 -3.008 1.00 4.75 N -ATOM 1257 CA LYS A 167 45.885 24.323 -2.333 1.00 4.74 C -ATOM 1258 C LYS A 167 45.907 25.806 -2.695 1.00 4.67 C -ATOM 1259 O LYS A 167 46.968 26.415 -2.777 1.00 4.72 O -ATOM 1260 CB LYS A 167 46.071 24.101 -0.826 1.00 4.83 C -ATOM 1261 CG LYS A 167 45.136 24.826 0.116 1.00 5.23 C -ATOM 1262 CD LYS A 167 45.395 24.339 1.540 1.00 5.55 C -ATOM 1263 CE LYS A 167 44.720 25.233 2.563 1.00 5.94 C -ATOM 1264 NZ LYS A 167 45.062 24.861 3.969 1.00 6.49 N -ATOM 1265 N THR A 168 44.733 26.391 -2.899 1.00 4.85 N -ATOM 1266 CA THR A 168 44.670 27.789 -3.307 1.00 4.93 C -ATOM 1267 C THR A 168 45.141 28.850 -2.333 1.00 5.05 C -ATOM 1268 O THR A 168 45.942 29.712 -2.701 1.00 4.90 O -ATOM 1269 CB THR A 168 43.232 28.217 -3.714 1.00 4.95 C -ATOM 1270 OG1 THR A 168 42.380 28.218 -2.560 1.00 4.71 O -ATOM 1271 CG2 THR A 168 42.660 27.286 -4.764 1.00 5.13 C -ATOM 1272 N SER A 169 44.679 28.776 -1.086 1.00 5.32 N -ATOM 1273 CA SER A 169 44.970 29.855 -0.154 1.00 5.32 C -ATOM 1274 C SER A 169 45.081 29.508 1.324 1.00 5.45 C -ATOM 1275 O SER A 169 44.762 28.399 1.746 1.00 5.27 O -ATOM 1276 CB SER A 169 43.870 30.908 -0.318 1.00 5.60 C -ATOM 1277 OG SER A 169 43.319 30.880 -1.632 1.00 5.36 O -ATOM 1278 N THR A 170 45.516 30.497 2.105 1.00 5.46 N -ATOM 1279 CA THR A 170 45.657 30.357 3.555 1.00 5.57 C -ATOM 1280 C THR A 170 44.385 30.781 4.276 1.00 5.95 C -ATOM 1281 O THR A 170 44.149 30.378 5.417 1.00 6.24 O -ATOM 1282 CB THR A 170 46.765 31.263 4.128 1.00 5.20 C -ATOM 1283 OG1 THR A 170 46.452 32.632 3.835 1.00 5.28 O -ATOM 1284 CG2 THR A 170 48.124 30.907 3.556 1.00 5.34 C -ATOM 1285 N GLY A 171 43.583 31.609 3.611 1.00 6.35 N -ATOM 1286 CA GLY A 171 42.369 32.118 4.218 1.00 6.83 C -ATOM 1287 C GLY A 171 42.713 33.313 5.092 1.00 7.24 C -ATOM 1288 O GLY A 171 41.840 33.885 5.747 1.00 7.49 O -ATOM 1289 N LYS A 172 43.988 33.696 5.096 1.00 7.35 N -ATOM 1290 CA LYS A 172 44.459 34.813 5.911 1.00 7.56 C -ATOM 1291 C LYS A 172 44.701 36.099 5.136 1.00 7.74 C -ATOM 1292 O LYS A 172 45.152 37.097 5.699 1.00 7.87 O -ATOM 1293 CB LYS A 172 45.723 34.408 6.668 1.00 8.12 C -ATOM 1294 CG LYS A 172 45.503 33.230 7.605 1.00 8.60 C -ATOM 1295 CD LYS A 172 44.408 33.527 8.615 1.00 9.89 C -ATOM 1296 CE LYS A 172 44.207 32.355 9.561 1.00 10.56 C -ATOM 1297 NZ LYS A 172 43.108 32.629 10.522 1.00 11.76 N -ATOM 1298 N VAL A 173 44.421 36.071 3.838 1.00 7.59 N -ATOM 1299 CA VAL A 173 44.552 37.262 3.014 1.00 7.94 C -ATOM 1300 C VAL A 173 43.150 37.572 2.497 1.00 8.12 C -ATOM 1301 O VAL A 173 42.237 36.758 2.642 1.00 8.27 O -ATOM 1302 CB VAL A 173 45.543 37.057 1.843 1.00 7.87 C -ATOM 1303 CG1 VAL A 173 46.958 36.923 2.392 1.00 7.99 C -ATOM 1304 CG2 VAL A 173 45.164 35.829 1.032 1.00 7.95 C -ATOM 1305 N ALA A 174 42.977 38.748 1.907 1.00 8.55 N -ATOM 1306 CA ALA A 174 41.673 39.171 1.411 1.00 8.61 C -ATOM 1307 C ALA A 174 41.030 38.244 0.386 1.00 8.50 C -ATOM 1308 O ALA A 174 39.883 37.825 0.551 1.00 8.84 O -ATOM 1309 CB ALA A 174 41.770 40.587 0.842 1.00 9.06 C -ATOM 1310 N VAL A 175 41.762 37.931 -0.678 1.00 8.15 N -ATOM 1311 CA VAL A 175 41.231 37.070 -1.723 1.00 7.77 C -ATOM 1312 C VAL A 175 41.789 35.666 -1.593 1.00 7.29 C -ATOM 1313 O VAL A 175 43.004 35.464 -1.560 1.00 7.01 O -ATOM 1314 CB VAL A 175 41.565 37.621 -3.126 1.00 8.04 C -ATOM 1315 CG1 VAL A 175 41.016 36.692 -4.200 1.00 8.31 C -ATOM 1316 CG2 VAL A 175 40.969 39.012 -3.289 1.00 8.10 C -ATOM 1317 N ASN A 176 40.886 34.700 -1.514 1.00 7.08 N -ATOM 1318 CA ASN A 176 41.273 33.311 -1.386 1.00 6.84 C -ATOM 1319 C ASN A 176 40.771 32.502 -2.580 1.00 6.82 C -ATOM 1320 O ASN A 176 40.993 32.899 -3.720 1.00 6.77 O -ATOM 1321 CB ASN A 176 40.760 32.781 -0.046 1.00 6.97 C -ATOM 1322 CG ASN A 176 41.400 33.504 1.128 1.00 7.05 C -ATOM 1323 OD1 ASN A 176 42.574 33.290 1.436 1.00 6.48 O -ATOM 1324 ND2 ASN A 176 40.642 34.391 1.767 1.00 7.38 N -ATOM 1325 N ALA A 177 40.098 31.385 -2.344 1.00 6.86 N -ATOM 1326 CA ALA A 177 39.628 30.582 -3.468 1.00 6.80 C -ATOM 1327 C ALA A 177 38.625 31.305 -4.363 1.00 6.89 C -ATOM 1328 O ALA A 177 37.766 32.043 -3.883 1.00 6.85 O -ATOM 1329 CB ALA A 177 39.003 29.287 -2.963 1.00 6.85 C -ATOM 1330 N THR A 178 38.761 31.101 -5.669 1.00 6.87 N -ATOM 1331 CA THR A 178 37.821 31.649 -6.645 1.00 7.04 C -ATOM 1332 C THR A 178 37.684 30.567 -7.704 1.00 7.12 C -ATOM 1333 O THR A 178 38.591 29.752 -7.889 1.00 6.74 O -ATOM 1334 CB THR A 178 38.315 32.937 -7.360 1.00 7.24 C -ATOM 1335 OG1 THR A 178 39.399 32.617 -8.241 1.00 7.86 O -ATOM 1336 CG2 THR A 178 38.741 33.988 -6.358 1.00 7.58 C -ATOM 1337 N PRO A 179 36.539 30.524 -8.399 1.00 7.25 N -ATOM 1338 CA PRO A 179 36.368 29.503 -9.434 1.00 7.47 C -ATOM 1339 C PRO A 179 37.443 29.608 -10.516 1.00 7.61 C -ATOM 1340 O PRO A 179 37.875 28.595 -11.060 1.00 7.48 O -ATOM 1341 CB PRO A 179 34.965 29.788 -9.963 1.00 7.53 C -ATOM 1342 CG PRO A 179 34.252 30.248 -8.726 1.00 7.63 C -ATOM 1343 CD PRO A 179 35.260 31.199 -8.113 1.00 7.41 C -ATOM 1344 N GLU A 180 37.872 30.830 -10.827 1.00 7.87 N -ATOM 1345 CA GLU A 180 38.905 31.037 -11.841 1.00 8.23 C -ATOM 1346 C GLU A 180 40.246 30.458 -11.391 1.00 7.99 C -ATOM 1347 O GLU A 180 40.923 29.773 -12.155 1.00 7.59 O -ATOM 1348 CB GLU A 180 39.064 32.531 -12.149 1.00 9.39 C -ATOM 1349 CG GLU A 180 40.256 32.865 -13.050 1.00 11.43 C -ATOM 1350 CD GLU A 180 40.117 32.333 -14.467 1.00 12.71 C -ATOM 1351 OE1 GLU A 180 39.201 31.520 -14.723 1.00 13.78 O -ATOM 1352 OE2 GLU A 180 40.935 32.725 -15.330 1.00 13.95 O -ATOM 1353 N SER A 181 40.632 30.729 -10.148 1.00 7.74 N -ATOM 1354 CA SER A 181 41.893 30.208 -9.630 1.00 7.92 C -ATOM 1355 C SER A 181 41.867 28.686 -9.566 1.00 7.44 C -ATOM 1356 O SER A 181 42.861 28.029 -9.875 1.00 7.20 O -ATOM 1357 CB SER A 181 42.176 30.775 -8.239 1.00 8.64 C -ATOM 1358 OG SER A 181 42.492 32.149 -8.315 1.00 10.40 O -ATOM 1359 N ALA A 182 40.729 28.126 -9.166 1.00 7.19 N -ATOM 1360 CA ALA A 182 40.583 26.680 -9.073 1.00 7.18 C -ATOM 1361 C ALA A 182 40.733 26.044 -10.451 1.00 7.19 C -ATOM 1362 O ALA A 182 41.373 25.005 -10.597 1.00 7.47 O -ATOM 1363 CB ALA A 182 39.223 26.323 -8.474 1.00 7.26 C -ATOM 1364 N ARG A 183 40.146 26.672 -11.464 1.00 7.24 N -ATOM 1365 CA ARG A 183 40.232 26.146 -12.819 1.00 7.15 C -ATOM 1366 C ARG A 183 41.671 26.192 -13.327 1.00 6.84 C -ATOM 1367 O ARG A 183 42.143 25.236 -13.936 1.00 6.70 O -ATOM 1368 CB ARG A 183 39.316 26.934 -13.759 1.00 7.77 C -ATOM 1369 CG ARG A 183 39.317 26.421 -15.194 1.00 8.93 C -ATOM 1370 CD ARG A 183 38.223 27.095 -16.012 1.00 9.94 C -ATOM 1371 NE ARG A 183 36.885 26.639 -15.634 1.00 10.95 N -ATOM 1372 CZ ARG A 183 36.333 25.501 -16.049 1.00 11.25 C -ATOM 1373 NH1 ARG A 183 36.999 24.692 -16.863 1.00 11.76 N -ATOM 1374 NH2 ARG A 183 35.110 25.170 -15.650 1.00 11.93 N -ATOM 1375 N ILE A 184 42.370 27.296 -13.076 1.00 6.23 N -ATOM 1376 CA ILE A 184 43.757 27.418 -13.520 1.00 6.07 C -ATOM 1377 C ILE A 184 44.622 26.331 -12.885 1.00 5.96 C -ATOM 1378 O ILE A 184 45.390 25.655 -13.565 1.00 5.89 O -ATOM 1379 CB ILE A 184 44.344 28.801 -13.160 1.00 6.17 C -ATOM 1380 CG1 ILE A 184 43.609 29.899 -13.934 1.00 6.61 C -ATOM 1381 CG2 ILE A 184 45.829 28.837 -13.486 1.00 6.32 C -ATOM 1382 CD1 ILE A 184 43.924 31.305 -13.453 1.00 7.12 C -ATOM 1383 N MET A 185 44.492 26.164 -11.575 1.00 5.70 N -ATOM 1384 CA MET A 185 45.273 25.160 -10.872 1.00 5.63 C -ATOM 1385 C MET A 185 44.938 23.738 -11.311 1.00 5.72 C -ATOM 1386 O MET A 185 45.835 22.910 -11.458 1.00 5.49 O -ATOM 1387 CB MET A 185 45.088 25.319 -9.360 1.00 5.48 C -ATOM 1388 CG MET A 185 45.737 26.589 -8.822 1.00 5.38 C -ATOM 1389 SD MET A 185 45.521 26.816 -7.050 1.00 5.25 S -ATOM 1390 CE MET A 185 46.641 25.550 -6.417 1.00 5.67 C -ATOM 1391 N MET A 186 43.659 23.445 -11.530 1.00 5.98 N -ATOM 1392 CA MET A 186 43.293 22.104 -11.964 1.00 6.31 C -ATOM 1393 C MET A 186 43.738 21.878 -13.406 1.00 6.34 C -ATOM 1394 O MET A 186 44.039 20.748 -13.795 1.00 6.11 O -ATOM 1395 CB MET A 186 41.785 21.860 -11.809 1.00 6.69 C -ATOM 1396 CG MET A 186 41.332 21.795 -10.347 1.00 7.86 C -ATOM 1397 SD MET A 186 39.685 21.073 -10.111 1.00 8.94 S -ATOM 1398 CE MET A 186 40.116 19.408 -9.801 1.00 9.84 C -ATOM 1399 N GLU A 187 43.794 22.946 -14.198 1.00 6.56 N -ATOM 1400 CA GLU A 187 44.250 22.818 -15.579 1.00 7.16 C -ATOM 1401 C GLU A 187 45.729 22.441 -15.574 1.00 6.76 C -ATOM 1402 O GLU A 187 46.190 21.723 -16.456 1.00 6.87 O -ATOM 1403 CB GLU A 187 44.058 24.123 -16.358 1.00 8.05 C -ATOM 1404 CG GLU A 187 42.614 24.478 -16.674 1.00 9.94 C -ATOM 1405 CD GLU A 187 42.495 25.802 -17.404 1.00 11.14 C -ATOM 1406 OE1 GLU A 187 43.310 26.707 -17.129 1.00 12.74 O -ATOM 1407 OE2 GLU A 187 41.579 25.950 -18.237 1.00 12.04 O -ATOM 1408 N VAL A 188 46.479 22.925 -14.585 1.00 6.49 N -ATOM 1409 CA VAL A 188 47.896 22.582 -14.499 1.00 6.43 C -ATOM 1410 C VAL A 188 48.014 21.088 -14.193 1.00 6.32 C -ATOM 1411 O VAL A 188 48.818 20.383 -14.803 1.00 6.21 O -ATOM 1412 CB VAL A 188 48.619 23.407 -13.403 1.00 6.33 C -ATOM 1413 CG1 VAL A 188 50.044 22.892 -13.211 1.00 6.63 C -ATOM 1414 CG2 VAL A 188 48.655 24.877 -13.806 1.00 6.77 C -ATOM 1415 N ILE A 189 47.206 20.604 -13.255 1.00 6.14 N -ATOM 1416 CA ILE A 189 47.216 19.185 -12.911 1.00 6.03 C -ATOM 1417 C ILE A 189 46.912 18.379 -14.178 1.00 6.23 C -ATOM 1418 O ILE A 189 47.580 17.387 -14.480 1.00 5.96 O -ATOM 1419 CB ILE A 189 46.156 18.867 -11.832 1.00 5.91 C -ATOM 1420 CG1 ILE A 189 46.555 19.525 -10.507 1.00 5.82 C -ATOM 1421 CG2 ILE A 189 45.990 17.352 -11.674 1.00 5.87 C -ATOM 1422 CD1 ILE A 189 45.514 19.377 -9.421 1.00 5.65 C -ATOM 1423 N ARG A 190 45.903 18.816 -14.926 1.00 6.51 N -ATOM 1424 CA ARG A 190 45.529 18.131 -16.154 1.00 7.31 C -ATOM 1425 C ARG A 190 46.629 18.192 -17.205 1.00 7.21 C -ATOM 1426 O ARG A 190 47.013 17.169 -17.771 1.00 7.32 O -ATOM 1427 CB ARG A 190 44.264 18.744 -16.742 1.00 7.90 C -ATOM 1428 CG ARG A 190 43.808 18.041 -18.013 1.00 9.19 C -ATOM 1429 CD ARG A 190 42.871 18.909 -18.813 1.00 10.61 C -ATOM 1430 NE ARG A 190 43.497 20.175 -19.177 1.00 11.63 N -ATOM 1431 CZ ARG A 190 42.834 21.199 -19.700 1.00 12.07 C -ATOM 1432 NH1 ARG A 190 41.531 21.092 -19.915 1.00 12.92 N -ATOM 1433 NH2 ARG A 190 43.465 22.327 -19.996 1.00 12.28 N -ATOM 1434 N ASP A 191 47.130 19.394 -17.466 1.00 7.26 N -ATOM 1435 CA ASP A 191 48.165 19.580 -18.476 1.00 7.45 C -ATOM 1436 C ASP A 191 49.451 18.821 -18.175 1.00 7.45 C -ATOM 1437 O ASP A 191 50.108 18.316 -19.088 1.00 7.78 O -ATOM 1438 CB ASP A 191 48.468 21.071 -18.659 1.00 7.78 C -ATOM 1439 CG ASP A 191 47.286 21.845 -19.224 1.00 8.54 C -ATOM 1440 OD1 ASP A 191 46.402 21.222 -19.847 1.00 8.86 O -ATOM 1441 OD2 ASP A 191 47.250 23.080 -19.055 1.00 9.44 O -ATOM 1442 N MET A 192 49.814 18.740 -16.901 1.00 7.09 N -ATOM 1443 CA MET A 192 51.023 18.022 -16.516 1.00 6.82 C -ATOM 1444 C MET A 192 50.760 16.519 -16.465 1.00 6.60 C -ATOM 1445 O MET A 192 51.698 15.722 -16.438 1.00 6.80 O -ATOM 1446 CB MET A 192 51.534 18.525 -15.160 1.00 6.98 C -ATOM 1447 CG MET A 192 52.061 19.953 -15.209 1.00 7.17 C -ATOM 1448 SD MET A 192 52.786 20.510 -13.652 1.00 7.75 S -ATOM 1449 CE MET A 192 54.385 19.713 -13.696 1.00 7.93 C -ATOM 1450 N GLY A 193 49.482 16.144 -16.472 1.00 6.23 N -ATOM 1451 CA GLY A 193 49.098 14.741 -16.435 1.00 6.20 C -ATOM 1452 C GLY A 193 49.321 14.059 -15.098 1.00 6.18 C -ATOM 1453 O GLY A 193 49.527 12.847 -15.038 1.00 6.35 O -ATOM 1454 N VAL A 194 49.247 14.828 -14.018 1.00 6.16 N -ATOM 1455 CA VAL A 194 49.480 14.291 -12.681 1.00 6.26 C -ATOM 1456 C VAL A 194 48.225 14.117 -11.827 1.00 6.50 C -ATOM 1457 O VAL A 194 48.320 14.039 -10.603 1.00 6.24 O -ATOM 1458 CB VAL A 194 50.478 15.192 -11.904 1.00 6.01 C -ATOM 1459 CG1 VAL A 194 51.794 15.287 -12.670 1.00 5.95 C -ATOM 1460 CG2 VAL A 194 49.878 16.583 -11.686 1.00 6.01 C -ATOM 1461 N GLU A 195 47.055 14.033 -12.454 1.00 7.08 N -ATOM 1462 CA GLU A 195 45.824 13.898 -11.679 1.00 7.82 C -ATOM 1463 C GLU A 195 45.770 12.670 -10.776 1.00 7.87 C -ATOM 1464 O GLU A 195 45.052 12.668 -9.782 1.00 7.84 O -ATOM 1465 CB GLU A 195 44.590 13.905 -12.590 1.00 8.59 C -ATOM 1466 CG GLU A 195 44.467 12.687 -13.475 1.00 10.09 C -ATOM 1467 CD GLU A 195 45.064 12.900 -14.850 1.00 10.94 C -ATOM 1468 OE1 GLU A 195 45.962 13.758 -14.997 1.00 11.32 O -ATOM 1469 OE2 GLU A 195 44.634 12.199 -15.790 1.00 12.19 O -ATOM 1470 N LYS A 196 46.521 11.625 -11.102 1.00 7.71 N -ATOM 1471 CA LYS A 196 46.500 10.433 -10.263 1.00 8.02 C -ATOM 1472 C LYS A 196 47.285 10.608 -8.963 1.00 7.59 C -ATOM 1473 O LYS A 196 46.961 9.987 -7.951 1.00 7.73 O -ATOM 1474 CB LYS A 196 47.049 9.228 -11.032 1.00 8.99 C -ATOM 1475 CG LYS A 196 46.149 8.753 -12.163 1.00 10.31 C -ATOM 1476 CD LYS A 196 46.763 7.562 -12.880 1.00 11.56 C -ATOM 1477 CE LYS A 196 45.842 7.031 -13.964 1.00 12.48 C -ATOM 1478 NZ LYS A 196 44.567 6.525 -13.390 1.00 13.53 N -ATOM 1479 N THR A 197 48.296 11.471 -8.980 1.00 7.06 N -ATOM 1480 CA THR A 197 49.140 11.674 -7.807 1.00 6.97 C -ATOM 1481 C THR A 197 49.007 13.027 -7.115 1.00 6.48 C -ATOM 1482 O THR A 197 49.574 13.233 -6.040 1.00 6.70 O -ATOM 1483 CB THR A 197 50.624 11.478 -8.177 1.00 6.75 C -ATOM 1484 OG1 THR A 197 50.952 12.322 -9.290 1.00 7.28 O -ATOM 1485 CG2 THR A 197 50.898 10.022 -8.544 1.00 7.16 C -ATOM 1486 N VAL A 198 48.262 13.947 -7.714 1.00 6.21 N -ATOM 1487 CA VAL A 198 48.108 15.273 -7.124 1.00 6.06 C -ATOM 1488 C VAL A 198 46.645 15.685 -6.992 1.00 5.85 C -ATOM 1489 O VAL A 198 45.900 15.696 -7.975 1.00 6.19 O -ATOM 1490 CB VAL A 198 48.856 16.345 -7.964 1.00 5.94 C -ATOM 1491 CG1 VAL A 198 48.736 17.712 -7.300 1.00 6.16 C -ATOM 1492 CG2 VAL A 198 50.324 15.958 -8.124 1.00 6.08 C -ATOM 1493 N GLY A 199 46.240 16.021 -5.770 1.00 5.47 N -ATOM 1494 CA GLY A 199 44.874 16.446 -5.533 1.00 5.29 C -ATOM 1495 C GLY A 199 44.746 17.957 -5.526 1.00 4.83 C -ATOM 1496 O GLY A 199 45.747 18.677 -5.605 1.00 4.75 O -ATOM 1497 N PHE A 200 43.511 18.442 -5.431 1.00 4.67 N -ATOM 1498 CA PHE A 200 43.257 19.877 -5.400 1.00 4.54 C -ATOM 1499 C PHE A 200 42.429 20.257 -4.180 1.00 4.51 C -ATOM 1500 O PHE A 200 41.516 19.530 -3.779 1.00 4.82 O -ATOM 1501 CB PHE A 200 42.526 20.328 -6.667 1.00 4.37 C -ATOM 1502 CG PHE A 200 42.161 21.782 -6.658 1.00 4.24 C -ATOM 1503 CD1 PHE A 200 43.150 22.759 -6.626 1.00 4.34 C -ATOM 1504 CD2 PHE A 200 40.828 22.175 -6.622 1.00 4.29 C -ATOM 1505 CE1 PHE A 200 42.817 24.108 -6.553 1.00 4.69 C -ATOM 1506 CE2 PHE A 200 40.484 23.517 -6.550 1.00 4.83 C -ATOM 1507 CZ PHE A 200 41.480 24.487 -6.513 1.00 4.61 C -ATOM 1508 N LYS A 201 42.749 21.406 -3.595 1.00 4.56 N -ATOM 1509 CA LYS A 201 42.027 21.870 -2.429 1.00 4.55 C -ATOM 1510 C LYS A 201 41.726 23.364 -2.441 1.00 4.76 C -ATOM 1511 O LYS A 201 42.607 24.187 -2.188 1.00 4.64 O -ATOM 1512 CB LYS A 201 42.801 21.512 -1.147 1.00 4.59 C -ATOM 1513 CG LYS A 201 42.158 22.030 0.141 1.00 4.82 C -ATOM 1514 CD LYS A 201 42.927 21.595 1.383 1.00 4.78 C -ATOM 1515 CE LYS A 201 42.328 22.215 2.646 1.00 4.94 C -ATOM 1516 NZ LYS A 201 43.094 21.867 3.885 1.00 5.11 N -ATOM 1517 N PRO A 202 40.487 23.740 -2.798 1.00 4.96 N -ATOM 1518 CA PRO A 202 40.169 25.170 -2.787 1.00 5.09 C -ATOM 1519 C PRO A 202 39.990 25.504 -1.306 1.00 5.37 C -ATOM 1520 O PRO A 202 39.377 24.732 -0.564 1.00 5.32 O -ATOM 1521 CB PRO A 202 38.862 25.245 -3.573 1.00 5.25 C -ATOM 1522 CG PRO A 202 38.225 23.919 -3.301 1.00 5.22 C -ATOM 1523 CD PRO A 202 39.381 22.952 -3.369 1.00 5.17 C -ATOM 1524 N ALA A 203 40.535 26.630 -0.864 1.00 5.57 N -ATOM 1525 CA ALA A 203 40.425 26.987 0.540 1.00 6.10 C -ATOM 1526 C ALA A 203 40.235 28.474 0.763 1.00 6.49 C -ATOM 1527 O ALA A 203 40.734 29.299 -0.003 1.00 6.28 O -ATOM 1528 CB ALA A 203 41.666 26.504 1.294 1.00 6.05 C -ATOM 1529 N GLY A 204 39.499 28.799 1.822 1.00 7.12 N -ATOM 1530 CA GLY A 204 39.251 30.183 2.174 1.00 8.32 C -ATOM 1531 C GLY A 204 38.066 30.822 1.482 1.00 8.85 C -ATOM 1532 O GLY A 204 37.999 30.866 0.254 1.00 8.98 O -ATOM 1533 N GLY A 205 37.124 31.314 2.282 1.00 9.54 N -ATOM 1534 CA GLY A 205 35.952 31.974 1.736 1.00 10.35 C -ATOM 1535 C GLY A 205 34.881 31.097 1.113 1.00 10.78 C -ATOM 1536 O GLY A 205 33.879 31.619 0.631 1.00 11.23 O -ATOM 1537 N VAL A 206 35.077 29.781 1.103 1.00 11.05 N -ATOM 1538 CA VAL A 206 34.077 28.878 0.532 1.00 11.47 C -ATOM 1539 C VAL A 206 33.012 28.709 1.611 1.00 11.75 C -ATOM 1540 O VAL A 206 33.163 27.903 2.532 1.00 11.93 O -ATOM 1541 CB VAL A 206 34.700 27.509 0.173 1.00 11.32 C -ATOM 1542 CG1 VAL A 206 33.675 26.637 -0.539 1.00 11.60 C -ATOM 1543 CG2 VAL A 206 35.931 27.717 -0.704 1.00 11.45 C -ATOM 1544 N ARG A 207 31.926 29.466 1.484 1.00 12.11 N -ATOM 1545 CA ARG A 207 30.876 29.467 2.495 1.00 12.39 C -ATOM 1546 C ARG A 207 29.547 28.778 2.206 1.00 11.89 C -ATOM 1547 O ARG A 207 28.864 28.370 3.143 1.00 11.88 O -ATOM 1548 CB ARG A 207 30.576 30.917 2.901 1.00 13.46 C -ATOM 1549 CG ARG A 207 31.809 31.768 3.185 1.00 14.82 C -ATOM 1550 CD ARG A 207 31.426 33.193 3.572 1.00 16.06 C -ATOM 1551 NE ARG A 207 32.593 34.061 3.736 1.00 17.22 N -ATOM 1552 CZ ARG A 207 33.389 34.456 2.744 1.00 17.71 C -ATOM 1553 NH1 ARG A 207 33.155 34.066 1.496 1.00 17.85 N -ATOM 1554 NH2 ARG A 207 34.424 35.247 3.001 1.00 18.22 N -ATOM 1555 N THR A 208 29.168 28.641 0.940 1.00 11.47 N -ATOM 1556 CA THR A 208 27.869 28.046 0.633 1.00 11.20 C -ATOM 1557 C THR A 208 27.860 26.746 -0.154 1.00 10.96 C -ATOM 1558 O THR A 208 28.816 26.409 -0.854 1.00 10.56 O -ATOM 1559 CB THR A 208 26.986 29.034 -0.145 1.00 11.24 C -ATOM 1560 OG1 THR A 208 27.459 29.130 -1.493 1.00 11.40 O -ATOM 1561 CG2 THR A 208 27.027 30.412 0.501 1.00 11.34 C -ATOM 1562 N ALA A 209 26.746 26.028 -0.039 1.00 10.69 N -ATOM 1563 CA ALA A 209 26.557 24.772 -0.745 1.00 10.66 C -ATOM 1564 C ALA A 209 26.647 25.050 -2.240 1.00 10.71 C -ATOM 1565 O ALA A 209 27.169 24.241 -3.006 1.00 10.30 O -ATOM 1566 CB ALA A 209 25.196 24.181 -0.401 1.00 10.70 C -ATOM 1567 N GLU A 210 26.128 26.202 -2.655 1.00 10.97 N -ATOM 1568 CA GLU A 210 26.168 26.581 -4.059 1.00 11.38 C -ATOM 1569 C GLU A 210 27.616 26.718 -4.524 1.00 11.20 C -ATOM 1570 O GLU A 210 27.965 26.284 -5.627 1.00 11.22 O -ATOM 1571 CB GLU A 210 25.422 27.899 -4.281 1.00 12.09 C -ATOM 1572 CG GLU A 210 23.903 27.821 -4.149 1.00 13.40 C -ATOM 1573 CD GLU A 210 23.425 27.580 -2.728 1.00 13.90 C -ATOM 1574 OE1 GLU A 210 24.142 27.957 -1.778 1.00 14.43 O -ATOM 1575 OE2 GLU A 210 22.313 27.033 -2.559 1.00 14.92 O -ATOM 1576 N ASP A 211 28.458 27.320 -3.684 1.00 11.11 N -ATOM 1577 CA ASP A 211 29.871 27.487 -4.020 1.00 11.00 C -ATOM 1578 C ASP A 211 30.526 26.125 -4.206 1.00 10.51 C -ATOM 1579 O ASP A 211 31.195 25.878 -5.205 1.00 10.04 O -ATOM 1580 CB ASP A 211 30.635 28.223 -2.913 1.00 12.04 C -ATOM 1581 CG ASP A 211 30.176 29.649 -2.720 1.00 13.00 C -ATOM 1582 OD1 ASP A 211 29.843 30.315 -3.722 1.00 13.92 O -ATOM 1583 OD2 ASP A 211 30.174 30.111 -1.557 1.00 13.90 O -ATOM 1584 N ALA A 212 30.337 25.250 -3.223 1.00 9.95 N -ATOM 1585 CA ALA A 212 30.917 23.912 -3.263 1.00 9.72 C -ATOM 1586 C ALA A 212 30.530 23.179 -4.537 1.00 9.54 C -ATOM 1587 O ALA A 212 31.353 22.499 -5.149 1.00 9.19 O -ATOM 1588 CB ALA A 212 30.470 23.111 -2.042 1.00 9.71 C -ATOM 1589 N GLN A 213 29.271 23.318 -4.936 1.00 9.54 N -ATOM 1590 CA GLN A 213 28.783 22.665 -6.140 1.00 9.71 C -ATOM 1591 C GLN A 213 29.575 23.114 -7.365 1.00 9.72 C -ATOM 1592 O GLN A 213 29.931 22.298 -8.217 1.00 9.65 O -ATOM 1593 CB GLN A 213 27.298 22.972 -6.331 1.00 9.98 C -ATOM 1594 CG GLN A 213 26.685 22.340 -7.561 1.00 10.92 C -ATOM 1595 CD GLN A 213 25.197 22.597 -7.653 1.00 11.53 C -ATOM 1596 OE1 GLN A 213 24.746 23.735 -7.541 1.00 12.16 O -ATOM 1597 NE2 GLN A 213 24.425 21.536 -7.857 1.00 12.06 N -ATOM 1598 N LYS A 214 29.848 24.412 -7.450 1.00 9.82 N -ATOM 1599 CA LYS A 214 30.603 24.969 -8.569 1.00 10.08 C -ATOM 1600 C LYS A 214 32.027 24.419 -8.611 1.00 9.46 C -ATOM 1601 O LYS A 214 32.521 24.040 -9.671 1.00 9.64 O -ATOM 1602 CB LYS A 214 30.651 26.498 -8.472 1.00 11.17 C -ATOM 1603 CG LYS A 214 29.298 27.176 -8.584 1.00 12.82 C -ATOM 1604 CD LYS A 214 29.441 28.691 -8.539 1.00 14.02 C -ATOM 1605 CE LYS A 214 28.093 29.384 -8.686 1.00 14.89 C -ATOM 1606 NZ LYS A 214 27.154 29.014 -7.587 1.00 15.78 N -ATOM 1607 N TYR A 215 32.687 24.378 -7.457 1.00 8.79 N -ATOM 1608 CA TYR A 215 34.050 23.870 -7.398 1.00 8.28 C -ATOM 1609 C TYR A 215 34.131 22.403 -7.811 1.00 8.09 C -ATOM 1610 O TYR A 215 35.042 22.006 -8.536 1.00 7.97 O -ATOM 1611 CB TYR A 215 34.621 24.071 -5.989 1.00 7.93 C -ATOM 1612 CG TYR A 215 35.044 25.499 -5.721 1.00 7.47 C -ATOM 1613 CD1 TYR A 215 36.144 26.049 -6.374 1.00 7.30 C -ATOM 1614 CD2 TYR A 215 34.321 26.313 -4.851 1.00 7.46 C -ATOM 1615 CE1 TYR A 215 36.516 27.377 -6.174 1.00 7.42 C -ATOM 1616 CE2 TYR A 215 34.683 27.646 -4.643 1.00 7.48 C -ATOM 1617 CZ TYR A 215 35.781 28.169 -5.311 1.00 7.41 C -ATOM 1618 OH TYR A 215 36.134 29.487 -5.138 1.00 7.73 O -ATOM 1619 N LEU A 216 33.176 21.599 -7.362 1.00 7.94 N -ATOM 1620 CA LEU A 216 33.177 20.188 -7.727 1.00 7.97 C -ATOM 1621 C LEU A 216 32.859 20.009 -9.204 1.00 8.02 C -ATOM 1622 O LEU A 216 33.350 19.080 -9.840 1.00 7.97 O -ATOM 1623 CB LEU A 216 32.168 19.410 -6.881 1.00 7.99 C -ATOM 1624 CG LEU A 216 32.631 19.099 -5.456 1.00 8.22 C -ATOM 1625 CD1 LEU A 216 31.492 18.500 -4.659 1.00 8.51 C -ATOM 1626 CD2 LEU A 216 33.816 18.143 -5.507 1.00 8.24 C -ATOM 1627 N ALA A 217 32.045 20.903 -9.756 1.00 8.16 N -ATOM 1628 CA ALA A 217 31.687 20.818 -11.167 1.00 8.32 C -ATOM 1629 C ALA A 217 32.921 20.955 -12.061 1.00 8.36 C -ATOM 1630 O ALA A 217 33.012 20.312 -13.109 1.00 8.59 O -ATOM 1631 CB ALA A 217 30.659 21.890 -11.516 1.00 8.61 C -ATOM 1632 N ILE A 218 33.870 21.792 -11.650 1.00 8.33 N -ATOM 1633 CA ILE A 218 35.096 21.986 -12.422 1.00 8.48 C -ATOM 1634 C ILE A 218 35.898 20.685 -12.450 1.00 8.36 C -ATOM 1635 O ILE A 218 36.428 20.289 -13.490 1.00 8.40 O -ATOM 1636 CB ILE A 218 35.984 23.097 -11.810 1.00 8.64 C -ATOM 1637 CG1 ILE A 218 35.223 24.426 -11.789 1.00 8.80 C -ATOM 1638 CG2 ILE A 218 37.273 23.240 -12.615 1.00 8.68 C -ATOM 1639 CD1 ILE A 218 35.959 25.537 -11.066 1.00 9.19 C -ATOM 1640 N ALA A 219 35.989 20.030 -11.298 1.00 8.34 N -ATOM 1641 CA ALA A 219 36.719 18.776 -11.187 1.00 8.37 C -ATOM 1642 C ALA A 219 36.086 17.700 -12.061 1.00 8.56 C -ATOM 1643 O ALA A 219 36.784 16.977 -12.774 1.00 8.34 O -ATOM 1644 CB ALA A 219 36.748 18.318 -9.736 1.00 8.25 C -ATOM 1645 N ASP A 220 34.762 17.595 -12.002 1.00 8.81 N -ATOM 1646 CA ASP A 220 34.052 16.598 -12.796 1.00 9.46 C -ATOM 1647 C ASP A 220 34.263 16.844 -14.286 1.00 9.76 C -ATOM 1648 O ASP A 220 34.439 15.904 -15.055 1.00 9.68 O -ATOM 1649 CB ASP A 220 32.551 16.628 -12.488 1.00 9.66 C -ATOM 1650 CG ASP A 220 32.229 16.185 -11.068 1.00 10.02 C -ATOM 1651 OD1 ASP A 220 33.125 15.655 -10.379 1.00 10.40 O -ATOM 1652 OD2 ASP A 220 31.067 16.362 -10.640 1.00 10.25 O -ATOM 1653 N GLU A 221 34.247 18.111 -14.684 1.00 10.13 N -ATOM 1654 CA GLU A 221 34.426 18.485 -16.083 1.00 10.80 C -ATOM 1655 C GLU A 221 35.803 18.109 -16.608 1.00 10.80 C -ATOM 1656 O GLU A 221 35.932 17.537 -17.689 1.00 10.81 O -ATOM 1657 CB GLU A 221 34.225 19.993 -16.246 1.00 11.43 C -ATOM 1658 CG GLU A 221 34.411 20.514 -17.664 1.00 12.87 C -ATOM 1659 CD GLU A 221 34.477 22.030 -17.719 1.00 13.53 C -ATOM 1660 OE1 GLU A 221 33.589 22.689 -17.140 1.00 14.81 O -ATOM 1661 OE2 GLU A 221 35.417 22.566 -18.343 1.00 14.47 O -ATOM 1662 N LEU A 222 36.833 18.430 -15.833 1.00 10.73 N -ATOM 1663 CA LEU A 222 38.204 18.158 -16.239 1.00 10.85 C -ATOM 1664 C LEU A 222 38.691 16.726 -16.075 1.00 10.83 C -ATOM 1665 O LEU A 222 39.459 16.240 -16.903 1.00 11.08 O -ATOM 1666 CB LEU A 222 39.163 19.083 -15.484 1.00 11.15 C -ATOM 1667 CG LEU A 222 39.055 20.587 -15.743 1.00 11.69 C -ATOM 1668 CD1 LEU A 222 40.051 21.320 -14.858 1.00 11.91 C -ATOM 1669 CD2 LEU A 222 39.327 20.881 -17.207 1.00 12.22 C -ATOM 1670 N PHE A 223 38.246 16.043 -15.027 1.00 10.69 N -ATOM 1671 CA PHE A 223 38.727 14.691 -14.770 1.00 10.72 C -ATOM 1672 C PHE A 223 37.706 13.560 -14.725 1.00 10.88 C -ATOM 1673 O PHE A 223 38.080 12.399 -14.568 1.00 11.05 O -ATOM 1674 CB PHE A 223 39.517 14.699 -13.461 1.00 10.34 C -ATOM 1675 CG PHE A 223 40.629 15.711 -13.434 1.00 10.03 C -ATOM 1676 CD1 PHE A 223 41.705 15.606 -14.309 1.00 10.03 C -ATOM 1677 CD2 PHE A 223 40.598 16.774 -12.538 1.00 10.17 C -ATOM 1678 CE1 PHE A 223 42.733 16.542 -14.291 1.00 10.13 C -ATOM 1679 CE2 PHE A 223 41.623 17.716 -12.515 1.00 10.17 C -ATOM 1680 CZ PHE A 223 42.690 17.598 -13.392 1.00 10.11 C -ATOM 1681 N GLY A 224 36.427 13.884 -14.863 1.00 11.25 N -ATOM 1682 CA GLY A 224 35.411 12.849 -14.802 1.00 11.66 C -ATOM 1683 C GLY A 224 34.783 12.840 -13.422 1.00 12.06 C -ATOM 1684 O GLY A 224 35.436 13.177 -12.435 1.00 11.91 O -ATOM 1685 N ALA A 225 33.521 12.438 -13.347 1.00 12.46 N -ATOM 1686 CA ALA A 225 32.787 12.419 -12.087 1.00 12.85 C -ATOM 1687 C ALA A 225 33.359 11.558 -10.958 1.00 13.04 C -ATOM 1688 O ALA A 225 33.047 11.792 -9.791 1.00 13.29 O -ATOM 1689 CB ALA A 225 31.332 12.018 -12.353 1.00 13.07 C -ATOM 1690 N ASP A 226 34.196 10.578 -11.281 1.00 13.18 N -ATOM 1691 CA ASP A 226 34.744 9.704 -10.244 1.00 13.36 C -ATOM 1692 C ASP A 226 36.109 10.094 -9.685 1.00 12.73 C -ATOM 1693 O ASP A 226 36.600 9.462 -8.749 1.00 13.08 O -ATOM 1694 CB ASP A 226 34.829 8.266 -10.759 1.00 14.61 C -ATOM 1695 CG ASP A 226 33.492 7.732 -11.223 1.00 15.56 C -ATOM 1696 OD1 ASP A 226 32.510 7.826 -10.455 1.00 16.57 O -ATOM 1697 OD2 ASP A 226 33.427 7.210 -12.356 1.00 16.67 O -ATOM 1698 N TRP A 227 36.716 11.134 -10.241 1.00 11.76 N -ATOM 1699 CA TRP A 227 38.039 11.560 -9.800 1.00 10.94 C -ATOM 1700 C TRP A 227 38.139 12.179 -8.406 1.00 10.49 C -ATOM 1701 O TRP A 227 39.052 11.861 -7.649 1.00 10.41 O -ATOM 1702 CB TRP A 227 38.624 12.549 -10.808 1.00 10.58 C -ATOM 1703 CG TRP A 227 40.011 12.992 -10.457 1.00 10.16 C -ATOM 1704 CD1 TRP A 227 41.164 12.279 -10.615 1.00 10.18 C -ATOM 1705 CD2 TRP A 227 40.389 14.235 -9.851 1.00 9.88 C -ATOM 1706 NE1 TRP A 227 42.236 12.999 -10.146 1.00 10.06 N -ATOM 1707 CE2 TRP A 227 41.790 14.203 -9.671 1.00 9.98 C -ATOM 1708 CE3 TRP A 227 39.680 15.370 -9.440 1.00 9.95 C -ATOM 1709 CZ2 TRP A 227 42.498 15.266 -9.101 1.00 9.80 C -ATOM 1710 CZ3 TRP A 227 40.384 16.426 -8.871 1.00 9.75 C -ATOM 1711 CH2 TRP A 227 41.780 16.366 -8.708 1.00 9.86 C -ATOM 1712 N ALA A 228 37.198 13.053 -8.064 1.00 10.02 N -ATOM 1713 CA ALA A 228 37.239 13.762 -6.789 1.00 9.63 C -ATOM 1714 C ALA A 228 36.955 13.018 -5.486 1.00 9.44 C -ATOM 1715 O ALA A 228 35.979 13.323 -4.800 1.00 9.53 O -ATOM 1716 CB ALA A 228 36.345 14.995 -6.875 1.00 9.70 C -ATOM 1717 N ASP A 229 37.808 12.060 -5.133 1.00 9.04 N -ATOM 1718 CA ASP A 229 37.647 11.335 -3.875 1.00 8.48 C -ATOM 1719 C ASP A 229 38.520 12.034 -2.822 1.00 8.05 C -ATOM 1720 O ASP A 229 39.164 13.042 -3.122 1.00 7.80 O -ATOM 1721 CB ASP A 229 38.039 9.855 -4.023 1.00 8.81 C -ATOM 1722 CG ASP A 229 39.429 9.659 -4.593 1.00 9.29 C -ATOM 1723 OD1 ASP A 229 40.301 10.521 -4.376 1.00 9.27 O -ATOM 1724 OD2 ASP A 229 39.656 8.619 -5.250 1.00 9.97 O -ATOM 1725 N ALA A 230 38.544 11.508 -1.600 1.00 7.53 N -ATOM 1726 CA ALA A 230 39.313 12.127 -0.519 1.00 7.26 C -ATOM 1727 C ALA A 230 40.803 12.300 -0.796 1.00 6.87 C -ATOM 1728 O ALA A 230 41.423 13.236 -0.289 1.00 6.97 O -ATOM 1729 CB ALA A 230 39.113 11.345 0.772 1.00 7.47 C -ATOM 1730 N ARG A 231 41.392 11.410 -1.587 1.00 6.48 N -ATOM 1731 CA ARG A 231 42.812 11.526 -1.892 1.00 6.24 C -ATOM 1732 C ARG A 231 43.077 12.595 -2.945 1.00 6.11 C -ATOM 1733 O ARG A 231 44.204 13.073 -3.079 1.00 6.13 O -ATOM 1734 CB ARG A 231 43.370 10.180 -2.380 1.00 6.34 C -ATOM 1735 CG ARG A 231 44.809 10.235 -2.937 1.00 6.20 C -ATOM 1736 CD ARG A 231 45.825 10.661 -1.877 1.00 6.84 C -ATOM 1737 NE ARG A 231 47.192 10.746 -2.396 1.00 6.72 N -ATOM 1738 CZ ARG A 231 47.698 11.792 -3.046 1.00 6.50 C -ATOM 1739 NH1 ARG A 231 46.958 12.869 -3.267 1.00 6.63 N -ATOM 1740 NH2 ARG A 231 48.952 11.762 -3.476 1.00 6.60 N -ATOM 1741 N HIS A 232 42.043 12.996 -3.678 1.00 5.98 N -ATOM 1742 CA HIS A 232 42.240 13.979 -4.734 1.00 5.98 C -ATOM 1743 C HIS A 232 41.507 15.303 -4.624 1.00 5.60 C -ATOM 1744 O HIS A 232 41.735 16.197 -5.442 1.00 5.43 O -ATOM 1745 CB HIS A 232 41.919 13.342 -6.088 1.00 6.53 C -ATOM 1746 CG HIS A 232 42.775 12.156 -6.404 1.00 7.04 C -ATOM 1747 ND1 HIS A 232 42.513 10.894 -5.913 1.00 7.10 N -ATOM 1748 CD2 HIS A 232 43.927 12.053 -7.106 1.00 7.19 C -ATOM 1749 CE1 HIS A 232 43.467 10.067 -6.298 1.00 7.28 C -ATOM 1750 NE2 HIS A 232 44.339 10.745 -7.022 1.00 7.27 N -ATOM 1751 N TYR A 233 40.645 15.448 -3.623 1.00 5.29 N -ATOM 1752 CA TYR A 233 39.907 16.691 -3.482 1.00 5.16 C -ATOM 1753 C TYR A 233 39.512 16.945 -2.038 1.00 4.89 C -ATOM 1754 O TYR A 233 39.110 16.027 -1.332 1.00 4.98 O -ATOM 1755 CB TYR A 233 38.649 16.642 -4.358 1.00 5.59 C -ATOM 1756 CG TYR A 233 38.141 18.003 -4.762 1.00 5.66 C -ATOM 1757 CD1 TYR A 233 37.449 18.813 -3.860 1.00 6.02 C -ATOM 1758 CD2 TYR A 233 38.400 18.505 -6.037 1.00 5.97 C -ATOM 1759 CE1 TYR A 233 37.034 20.092 -4.219 1.00 6.29 C -ATOM 1760 CE2 TYR A 233 37.991 19.780 -6.406 1.00 6.20 C -ATOM 1761 CZ TYR A 233 37.311 20.569 -5.493 1.00 6.32 C -ATOM 1762 OH TYR A 233 36.920 21.840 -5.845 1.00 7.53 O -ATOM 1763 N ARG A 234 39.656 18.193 -1.600 1.00 4.92 N -ATOM 1764 CA ARG A 234 39.268 18.590 -0.248 1.00 4.92 C -ATOM 1765 C ARG A 234 38.800 20.031 -0.253 1.00 5.02 C -ATOM 1766 O ARG A 234 39.276 20.848 -1.044 1.00 5.05 O -ATOM 1767 CB ARG A 234 40.434 18.519 0.742 1.00 5.06 C -ATOM 1768 CG ARG A 234 41.071 17.171 0.921 1.00 4.85 C -ATOM 1769 CD ARG A 234 40.203 16.157 1.644 1.00 5.13 C -ATOM 1770 NE ARG A 234 40.986 14.935 1.740 1.00 5.20 N -ATOM 1771 CZ ARG A 234 41.974 14.751 2.606 1.00 5.53 C -ATOM 1772 NH1 ARG A 234 42.284 15.696 3.487 1.00 5.51 N -ATOM 1773 NH2 ARG A 234 42.720 13.662 2.525 1.00 5.72 N -ATOM 1774 N PHE A 235 37.875 20.339 0.645 1.00 5.10 N -ATOM 1775 CA PHE A 235 37.388 21.701 0.798 1.00 5.53 C -ATOM 1776 C PHE A 235 37.972 22.255 2.095 1.00 5.72 C -ATOM 1777 O PHE A 235 37.716 21.719 3.172 1.00 6.09 O -ATOM 1778 CB PHE A 235 35.859 21.724 0.886 1.00 5.73 C -ATOM 1779 CG PHE A 235 35.173 21.736 -0.451 1.00 5.96 C -ATOM 1780 CD1 PHE A 235 35.170 22.886 -1.234 1.00 6.03 C -ATOM 1781 CD2 PHE A 235 34.553 20.593 -0.937 1.00 6.25 C -ATOM 1782 CE1 PHE A 235 34.559 22.895 -2.484 1.00 5.93 C -ATOM 1783 CE2 PHE A 235 33.939 20.593 -2.187 1.00 6.16 C -ATOM 1784 CZ PHE A 235 33.943 21.742 -2.959 1.00 5.77 C -ATOM 1785 N GLY A 236 38.779 23.305 1.989 1.00 5.85 N -ATOM 1786 CA GLY A 236 39.325 23.926 3.183 1.00 6.48 C -ATOM 1787 C GLY A 236 38.265 24.929 3.593 1.00 6.85 C -ATOM 1788 O GLY A 236 38.181 26.011 3.011 1.00 6.98 O -ATOM 1789 N ALA A 237 37.446 24.579 4.581 1.00 7.54 N -ATOM 1790 CA ALA A 237 36.367 25.464 4.996 1.00 8.16 C -ATOM 1791 C ALA A 237 35.893 25.233 6.421 1.00 8.84 C -ATOM 1792 O ALA A 237 36.319 24.300 7.095 1.00 8.77 O -ATOM 1793 CB ALA A 237 35.190 25.313 4.033 1.00 8.32 C -ATOM 1794 N SER A 238 34.979 26.092 6.861 1.00 9.77 N -ATOM 1795 CA SER A 238 34.433 26.014 8.205 1.00 10.56 C -ATOM 1796 C SER A 238 32.916 26.190 8.202 1.00 10.89 C -ATOM 1797 O SER A 238 32.173 25.214 8.309 1.00 11.17 O -ATOM 1798 CB SER A 238 35.088 27.081 9.083 1.00 10.82 C -ATOM 1799 OG SER A 238 35.050 28.352 8.456 1.00 11.57 O -ATOM 1800 N SER A 239 32.460 27.433 8.069 1.00 11.35 N -ATOM 1801 CA SER A 239 31.029 27.722 8.059 1.00 11.61 C -ATOM 1802 C SER A 239 30.316 26.973 6.938 1.00 11.29 C -ATOM 1803 O SER A 239 29.093 26.812 6.966 1.00 11.80 O -ATOM 1804 CB SER A 239 30.792 29.230 7.911 1.00 12.19 C -ATOM 1805 OG SER A 239 31.324 29.718 6.693 1.00 13.88 O -ATOM 1806 N LEU A 240 31.081 26.512 5.956 1.00 10.58 N -ATOM 1807 CA LEU A 240 30.507 25.780 4.837 1.00 9.77 C -ATOM 1808 C LEU A 240 29.695 24.582 5.313 1.00 9.49 C -ATOM 1809 O LEU A 240 28.629 24.294 4.769 1.00 9.23 O -ATOM 1810 CB LEU A 240 31.609 25.287 3.893 1.00 9.52 C -ATOM 1811 CG LEU A 240 31.138 24.362 2.762 1.00 9.33 C -ATOM 1812 CD1 LEU A 240 30.204 25.127 1.836 1.00 9.49 C -ATOM 1813 CD2 LEU A 240 32.331 23.829 1.986 1.00 9.43 C -ATOM 1814 N LEU A 241 30.192 23.890 6.332 1.00 9.51 N -ATOM 1815 CA LEU A 241 29.509 22.702 6.832 1.00 9.56 C -ATOM 1816 C LEU A 241 28.044 22.934 7.187 1.00 9.82 C -ATOM 1817 O LEU A 241 27.184 22.128 6.825 1.00 9.65 O -ATOM 1818 CB LEU A 241 30.256 22.131 8.038 1.00 9.74 C -ATOM 1819 CG LEU A 241 29.705 20.809 8.578 1.00 10.10 C -ATOM 1820 CD1 LEU A 241 29.568 19.794 7.448 1.00 10.25 C -ATOM 1821 CD2 LEU A 241 30.635 20.290 9.662 1.00 10.55 C -ATOM 1822 N ALA A 242 27.762 24.031 7.884 1.00 9.85 N -ATOM 1823 CA ALA A 242 26.391 24.354 8.271 1.00 10.20 C -ATOM 1824 C ALA A 242 25.508 24.539 7.038 1.00 10.36 C -ATOM 1825 O ALA A 242 24.337 24.147 7.035 1.00 10.47 O -ATOM 1826 CB ALA A 242 26.368 25.622 9.130 1.00 10.50 C -ATOM 1827 N SER A 243 26.070 25.133 5.989 1.00 10.32 N -ATOM 1828 CA SER A 243 25.326 25.360 4.756 1.00 10.27 C -ATOM 1829 C SER A 243 25.014 24.043 4.052 1.00 10.11 C -ATOM 1830 O SER A 243 23.914 23.850 3.532 1.00 9.89 O -ATOM 1831 CB SER A 243 26.121 26.267 3.813 1.00 10.46 C -ATOM 1832 OG SER A 243 25.405 26.494 2.610 1.00 11.03 O -ATOM 1833 N LEU A 244 25.989 23.142 4.030 1.00 10.00 N -ATOM 1834 CA LEU A 244 25.803 21.845 3.393 1.00 10.12 C -ATOM 1835 C LEU A 244 24.729 21.045 4.123 1.00 10.48 C -ATOM 1836 O LEU A 244 23.876 20.421 3.493 1.00 10.39 O -ATOM 1837 CB LEU A 244 27.120 21.062 3.380 1.00 9.75 C -ATOM 1838 CG LEU A 244 28.262 21.705 2.586 1.00 9.30 C -ATOM 1839 CD1 LEU A 244 29.519 20.866 2.727 1.00 9.25 C -ATOM 1840 CD2 LEU A 244 27.872 21.829 1.118 1.00 9.45 C -ATOM 1841 N LEU A 245 24.770 21.061 5.451 1.00 10.87 N -ATOM 1842 CA LEU A 245 23.780 20.330 6.231 1.00 11.47 C -ATOM 1843 C LEU A 245 22.386 20.911 6.026 1.00 11.99 C -ATOM 1844 O LEU A 245 21.402 20.174 5.957 1.00 12.07 O -ATOM 1845 CB LEU A 245 24.156 20.345 7.714 1.00 11.35 C -ATOM 1846 CG LEU A 245 25.356 19.458 8.073 1.00 11.31 C -ATOM 1847 CD1 LEU A 245 25.809 19.747 9.495 1.00 11.42 C -ATOM 1848 CD2 LEU A 245 24.980 17.986 7.909 1.00 11.30 C -ATOM 1849 N LYS A 246 22.299 22.233 5.919 1.00 12.53 N -ATOM 1850 CA LYS A 246 21.009 22.877 5.710 1.00 13.11 C -ATOM 1851 C LYS A 246 20.439 22.440 4.359 1.00 13.23 C -ATOM 1852 O LYS A 246 19.249 22.141 4.240 1.00 13.21 O -ATOM 1853 CB LYS A 246 21.165 24.399 5.759 1.00 13.63 C -ATOM 1854 CG LYS A 246 19.861 25.170 5.631 1.00 14.71 C -ATOM 1855 CD LYS A 246 20.066 26.637 5.971 1.00 15.55 C -ATOM 1856 CE LYS A 246 18.773 27.426 5.862 1.00 16.26 C -ATOM 1857 NZ LYS A 246 18.258 27.457 4.470 1.00 16.82 N -ATOM 1858 N ALA A 247 21.296 22.387 3.345 1.00 13.37 N -ATOM 1859 CA ALA A 247 20.873 21.974 2.011 1.00 13.74 C -ATOM 1860 C ALA A 247 20.355 20.536 2.033 1.00 14.07 C -ATOM 1861 O ALA A 247 19.488 20.163 1.238 1.00 14.31 O -ATOM 1862 CB ALA A 247 22.039 22.091 1.034 1.00 13.60 C -ATOM 1863 N LEU A 248 20.888 19.737 2.951 1.00 14.42 N -ATOM 1864 CA LEU A 248 20.502 18.337 3.084 1.00 14.82 C -ATOM 1865 C LEU A 248 19.306 18.127 4.011 1.00 15.24 C -ATOM 1866 O LEU A 248 18.891 16.993 4.249 1.00 15.41 O -ATOM 1867 CB LEU A 248 21.697 17.518 3.583 1.00 14.60 C -ATOM 1868 CG LEU A 248 22.826 17.319 2.566 1.00 14.44 C -ATOM 1869 CD1 LEU A 248 24.085 16.815 3.262 1.00 14.37 C -ATOM 1870 CD2 LEU A 248 22.366 16.342 1.493 1.00 14.60 C -ATOM 1871 N GLY A 249 18.757 19.220 4.533 1.00 15.76 N -ATOM 1872 CA GLY A 249 17.609 19.121 5.420 1.00 16.47 C -ATOM 1873 C GLY A 249 17.987 18.806 6.853 1.00 16.91 C -ATOM 1874 O GLY A 249 17.144 18.407 7.657 1.00 17.26 O -ATOM 1875 N HIS A 250 19.263 18.988 7.173 1.00 17.16 N -ATOM 1876 CA HIS A 250 19.779 18.725 8.510 1.00 17.56 C -ATOM 1877 C HIS A 250 20.337 19.995 9.139 1.00 17.92 C -ATOM 1878 O HIS A 250 20.112 21.081 8.567 1.00 18.54 O -ATOM 1879 CB HIS A 250 20.872 17.658 8.446 1.00 17.23 C -ATOM 1880 CG HIS A 250 20.351 16.273 8.226 1.00 16.96 C -ATOM 1881 ND1 HIS A 250 20.080 15.409 9.264 1.00 16.89 N -ATOM 1882 CD2 HIS A 250 20.028 15.610 7.090 1.00 16.80 C -ATOM 1883 CE1 HIS A 250 19.615 14.272 8.778 1.00 16.71 C -ATOM 1884 NE2 HIS A 250 19.573 14.368 7.461 1.00 16.75 N -ATOM 1885 OXT HIS A 250 20.992 19.887 10.196 1.00 18.39 O -TER 1886 HIS A 250 -ATOM 1887 N THR B 2 75.868 47.435 47.317 1.00 20.33 N -ATOM 1888 CA THR B 2 76.550 46.644 46.255 1.00 20.11 C -ATOM 1889 C THR B 2 76.010 45.217 46.225 1.00 19.98 C -ATOM 1890 O THR B 2 76.060 44.548 45.194 1.00 20.04 O -ATOM 1891 CB THR B 2 78.078 46.603 46.483 1.00 20.43 C -ATOM 1892 OG1 THR B 2 78.615 47.927 46.364 1.00 20.52 O -ATOM 1893 CG2 THR B 2 78.749 45.699 45.461 1.00 20.47 C -ATOM 1894 N ASP B 3 75.491 44.760 47.360 1.00 19.72 N -ATOM 1895 CA ASP B 3 74.940 43.413 47.464 1.00 19.54 C -ATOM 1896 C ASP B 3 73.783 43.196 46.495 1.00 19.01 C -ATOM 1897 O ASP B 3 73.740 42.189 45.789 1.00 18.89 O -ATOM 1898 CB ASP B 3 74.469 43.149 48.895 1.00 20.20 C -ATOM 1899 CG ASP B 3 75.621 42.925 49.854 1.00 20.80 C -ATOM 1900 OD1 ASP B 3 76.620 43.668 49.769 1.00 21.56 O -ATOM 1901 OD2 ASP B 3 75.522 42.012 50.700 1.00 21.44 O -ATOM 1902 N LEU B 4 72.847 44.139 46.462 1.00 18.34 N -ATOM 1903 CA LEU B 4 71.698 44.024 45.571 1.00 17.59 C -ATOM 1904 C LEU B 4 72.116 44.105 44.108 1.00 17.12 C -ATOM 1905 O LEU B 4 71.542 43.427 43.258 1.00 16.82 O -ATOM 1906 CB LEU B 4 70.662 45.110 45.881 1.00 17.52 C -ATOM 1907 CG LEU B 4 69.368 45.070 45.059 1.00 17.66 C -ATOM 1908 CD1 LEU B 4 68.741 43.683 45.139 1.00 17.59 C -ATOM 1909 CD2 LEU B 4 68.407 46.130 45.573 1.00 17.70 C -ATOM 1910 N LYS B 5 73.109 44.937 43.805 1.00 16.55 N -ATOM 1911 CA LYS B 5 73.581 45.055 42.431 1.00 16.04 C -ATOM 1912 C LYS B 5 74.236 43.746 42.010 1.00 15.45 C -ATOM 1913 O LYS B 5 74.026 43.266 40.899 1.00 15.38 O -ATOM 1914 CB LYS B 5 74.598 46.190 42.297 1.00 16.47 C -ATOM 1915 CG LYS B 5 74.006 47.586 42.345 1.00 17.01 C -ATOM 1916 CD LYS B 5 75.100 48.627 42.155 1.00 17.59 C -ATOM 1917 CE LYS B 5 74.538 50.036 42.140 1.00 17.99 C -ATOM 1918 NZ LYS B 5 75.620 51.050 41.983 1.00 18.60 N -ATOM 1919 N ALA B 6 75.031 43.174 42.908 1.00 14.60 N -ATOM 1920 CA ALA B 6 75.721 41.922 42.630 1.00 13.90 C -ATOM 1921 C ALA B 6 74.728 40.801 42.343 1.00 13.37 C -ATOM 1922 O ALA B 6 74.860 40.084 41.351 1.00 13.22 O -ATOM 1923 CB ALA B 6 76.618 41.542 43.807 1.00 14.02 C -ATOM 1924 N SER B 7 73.727 40.656 43.205 1.00 12.78 N -ATOM 1925 CA SER B 7 72.732 39.607 43.020 1.00 12.27 C -ATOM 1926 C SER B 7 71.876 39.842 41.778 1.00 11.78 C -ATOM 1927 O SER B 7 71.471 38.888 41.113 1.00 11.36 O -ATOM 1928 CB SER B 7 71.832 39.498 44.256 1.00 12.49 C -ATOM 1929 OG SER B 7 71.091 40.686 44.465 1.00 13.21 O -ATOM 1930 N SER B 8 71.609 41.105 41.460 1.00 11.27 N -ATOM 1931 CA SER B 8 70.790 41.434 40.299 1.00 10.91 C -ATOM 1932 C SER B 8 71.471 41.079 38.983 1.00 10.77 C -ATOM 1933 O SER B 8 70.827 40.564 38.070 1.00 10.58 O -ATOM 1934 CB SER B 8 70.426 42.918 40.313 1.00 10.94 C -ATOM 1935 OG SER B 8 69.624 43.228 41.437 1.00 10.99 O -ATOM 1936 N LEU B 9 72.767 41.358 38.875 1.00 10.48 N -ATOM 1937 CA LEU B 9 73.492 41.027 37.656 1.00 10.37 C -ATOM 1938 C LEU B 9 73.548 39.509 37.528 1.00 10.12 C -ATOM 1939 O LEU B 9 73.399 38.961 36.436 1.00 10.14 O -ATOM 1940 CB LEU B 9 74.917 41.591 37.695 1.00 10.78 C -ATOM 1941 CG LEU B 9 75.768 41.313 36.448 1.00 10.95 C -ATOM 1942 CD1 LEU B 9 75.135 41.981 35.233 1.00 11.23 C -ATOM 1943 CD2 LEU B 9 77.185 41.832 36.662 1.00 11.36 C -ATOM 1944 N ARG B 10 73.761 38.831 38.651 1.00 9.86 N -ATOM 1945 CA ARG B 10 73.830 37.377 38.647 1.00 9.70 C -ATOM 1946 C ARG B 10 72.486 36.797 38.209 1.00 9.24 C -ATOM 1947 O ARG B 10 72.434 35.882 37.387 1.00 9.10 O -ATOM 1948 CB ARG B 10 74.190 36.852 40.040 1.00 10.50 C -ATOM 1949 CG ARG B 10 74.524 35.373 40.064 1.00 11.32 C -ATOM 1950 CD ARG B 10 74.702 34.849 41.481 1.00 12.32 C -ATOM 1951 NE ARG B 10 75.266 33.503 41.479 1.00 13.30 N -ATOM 1952 CZ ARG B 10 75.332 32.714 42.547 1.00 13.53 C -ATOM 1953 NH1 ARG B 10 74.862 33.129 43.714 1.00 13.67 N -ATOM 1954 NH2 ARG B 10 75.879 31.509 42.445 1.00 14.03 N -ATOM 1955 N ALA B 11 71.404 37.340 38.759 1.00 8.75 N -ATOM 1956 CA ALA B 11 70.059 36.878 38.431 1.00 8.36 C -ATOM 1957 C ALA B 11 69.738 37.101 36.957 1.00 8.20 C -ATOM 1958 O ALA B 11 69.137 36.243 36.310 1.00 8.08 O -ATOM 1959 CB ALA B 11 69.037 37.594 39.304 1.00 8.27 C -ATOM 1960 N LEU B 12 70.134 38.253 36.428 1.00 7.99 N -ATOM 1961 CA LEU B 12 69.884 38.569 35.028 1.00 7.97 C -ATOM 1962 C LEU B 12 70.488 37.491 34.133 1.00 7.97 C -ATOM 1963 O LEU B 12 69.844 37.003 33.200 1.00 7.84 O -ATOM 1964 CB LEU B 12 70.488 39.937 34.686 1.00 8.02 C -ATOM 1965 CG LEU B 12 70.267 40.505 33.277 1.00 8.05 C -ATOM 1966 CD1 LEU B 12 70.353 42.019 33.334 1.00 8.46 C -ATOM 1967 CD2 LEU B 12 71.290 39.945 32.301 1.00 8.29 C -ATOM 1968 N LYS B 13 71.725 37.110 34.434 1.00 8.08 N -ATOM 1969 CA LYS B 13 72.428 36.108 33.648 1.00 8.08 C -ATOM 1970 C LYS B 13 71.904 34.684 33.844 1.00 7.69 C -ATOM 1971 O LYS B 13 72.347 33.755 33.165 1.00 7.71 O -ATOM 1972 CB LYS B 13 73.927 36.176 33.953 1.00 8.92 C -ATOM 1973 CG LYS B 13 74.558 37.504 33.555 1.00 10.18 C -ATOM 1974 CD LYS B 13 76.039 37.540 33.898 1.00 11.53 C -ATOM 1975 CE LYS B 13 76.696 38.803 33.376 1.00 12.45 C -ATOM 1976 NZ LYS B 13 78.153 38.839 33.690 1.00 13.65 N -ATOM 1977 N LEU B 14 70.962 34.513 34.767 1.00 7.25 N -ATOM 1978 CA LEU B 14 70.370 33.202 35.029 1.00 7.01 C -ATOM 1979 C LEU B 14 68.908 33.187 34.602 1.00 6.74 C -ATOM 1980 O LEU B 14 68.187 32.223 34.848 1.00 6.52 O -ATOM 1981 CB LEU B 14 70.458 32.865 36.519 1.00 6.95 C -ATOM 1982 CG LEU B 14 71.857 32.696 37.108 1.00 7.01 C -ATOM 1983 CD1 LEU B 14 71.758 32.575 38.622 1.00 7.11 C -ATOM 1984 CD2 LEU B 14 72.519 31.468 36.508 1.00 7.06 C -ATOM 1985 N MET B 15 68.467 34.253 33.950 1.00 6.85 N -ATOM 1986 CA MET B 15 67.077 34.333 33.534 1.00 7.05 C -ATOM 1987 C MET B 15 66.685 33.533 32.303 1.00 6.75 C -ATOM 1988 O MET B 15 67.430 33.448 31.326 1.00 6.63 O -ATOM 1989 CB MET B 15 66.673 35.790 33.276 1.00 7.82 C -ATOM 1990 CG MET B 15 66.179 36.562 34.492 1.00 8.60 C -ATOM 1991 SD MET B 15 65.457 38.165 34.034 1.00 10.06 S -ATOM 1992 CE MET B 15 63.871 37.642 33.376 1.00 9.39 C -ATOM 1993 N ASP B 16 65.506 32.925 32.393 1.00 6.65 N -ATOM 1994 CA ASP B 16 64.884 32.233 31.274 1.00 6.36 C -ATOM 1995 C ASP B 16 63.842 33.325 30.989 1.00 6.40 C -ATOM 1996 O ASP B 16 62.757 33.330 31.584 1.00 6.33 O -ATOM 1997 CB ASP B 16 64.179 30.940 31.719 1.00 6.23 C -ATOM 1998 CG ASP B 16 65.083 29.715 31.667 1.00 6.26 C -ATOM 1999 OD1 ASP B 16 66.318 29.865 31.560 1.00 6.56 O -ATOM 2000 OD2 ASP B 16 64.545 28.586 31.747 1.00 6.31 O -ATOM 2001 N LEU B 17 64.195 34.284 30.130 1.00 6.49 N -ATOM 2002 CA LEU B 17 63.289 35.390 29.801 1.00 6.75 C -ATOM 2003 C LEU B 17 62.064 34.796 29.131 1.00 6.70 C -ATOM 2004 O LEU B 17 62.146 34.241 28.037 1.00 6.28 O -ATOM 2005 CB LEU B 17 63.980 36.396 28.881 1.00 7.17 C -ATOM 2006 CG LEU B 17 63.164 37.661 28.590 1.00 7.43 C -ATOM 2007 CD1 LEU B 17 62.817 38.386 29.887 1.00 8.29 C -ATOM 2008 CD2 LEU B 17 63.965 38.571 27.672 1.00 7.81 C -ATOM 2009 N THR B 18 60.921 34.959 29.781 1.00 6.82 N -ATOM 2010 CA THR B 18 59.689 34.332 29.333 1.00 7.08 C -ATOM 2011 C THR B 18 58.506 35.135 28.809 1.00 7.39 C -ATOM 2012 O THR B 18 58.264 36.267 29.210 1.00 7.61 O -ATOM 2013 CB THR B 18 59.148 33.468 30.501 1.00 7.06 C -ATOM 2014 OG1 THR B 18 60.194 32.613 30.972 1.00 7.17 O -ATOM 2015 CG2 THR B 18 57.944 32.630 30.075 1.00 7.29 C -ATOM 2016 N THR B 19 57.779 34.503 27.894 1.00 7.94 N -ATOM 2017 CA THR B 19 56.524 35.024 27.381 1.00 8.22 C -ATOM 2018 C THR B 19 55.726 33.785 26.978 1.00 8.40 C -ATOM 2019 O THR B 19 56.134 33.009 26.112 1.00 8.09 O -ATOM 2020 CB THR B 19 56.666 36.017 26.195 1.00 8.35 C -ATOM 2021 OG1 THR B 19 55.388 36.634 25.978 1.00 9.08 O -ATOM 2022 CG2 THR B 19 57.115 35.324 24.912 1.00 8.98 C -ATOM 2023 N LEU B 20 54.618 33.572 27.678 1.00 9.02 N -ATOM 2024 CA LEU B 20 53.735 32.436 27.434 1.00 10.01 C -ATOM 2025 C LEU B 20 52.315 32.962 27.581 1.00 11.30 C -ATOM 2026 O LEU B 20 51.581 32.571 28.486 1.00 11.90 O -ATOM 2027 CB LEU B 20 53.996 31.324 28.459 1.00 9.12 C -ATOM 2028 CG LEU B 20 55.384 30.669 28.429 1.00 8.40 C -ATOM 2029 CD1 LEU B 20 55.569 29.801 29.672 1.00 8.37 C -ATOM 2030 CD2 LEU B 20 55.552 29.840 27.157 1.00 8.38 C -ATOM 2031 N ASN B 21 51.941 33.865 26.685 1.00 12.64 N -ATOM 2032 CA ASN B 21 50.619 34.469 26.718 1.00 14.08 C -ATOM 2033 C ASN B 21 49.778 34.007 25.538 1.00 14.71 C -ATOM 2034 O ASN B 21 50.306 33.657 24.480 1.00 14.73 O -ATOM 2035 CB ASN B 21 50.742 35.995 26.701 1.00 14.87 C -ATOM 2036 CG ASN B 21 51.432 36.546 27.940 1.00 15.62 C -ATOM 2037 OD1 ASN B 21 51.687 37.747 28.033 1.00 16.85 O -ATOM 2038 ND2 ASN B 21 51.733 35.675 28.898 1.00 16.15 N -ATOM 2039 N ASP B 22 48.464 34.006 25.722 1.00 15.50 N -ATOM 2040 CA ASP B 22 47.562 33.587 24.661 1.00 16.27 C -ATOM 2041 C ASP B 22 47.623 34.525 23.458 1.00 16.24 C -ATOM 2042 O ASP B 22 47.219 34.153 22.360 1.00 16.58 O -ATOM 2043 CB ASP B 22 46.123 33.510 25.183 1.00 17.16 C -ATOM 2044 CG ASP B 22 45.901 32.332 26.113 1.00 17.84 C -ATOM 2045 OD1 ASP B 22 46.354 31.217 25.776 1.00 18.72 O -ATOM 2046 OD2 ASP B 22 45.262 32.515 27.172 1.00 18.81 O -ATOM 2047 N ASP B 23 48.145 35.730 23.664 1.00 16.06 N -ATOM 2048 CA ASP B 23 48.238 36.710 22.588 1.00 15.82 C -ATOM 2049 C ASP B 23 49.634 36.818 21.976 1.00 15.03 C -ATOM 2050 O ASP B 23 49.928 37.772 21.255 1.00 15.17 O -ATOM 2051 CB ASP B 23 47.785 38.082 23.100 1.00 16.81 C -ATOM 2052 CG ASP B 23 48.784 38.714 24.053 1.00 17.66 C -ATOM 2053 OD1 ASP B 23 49.379 37.986 24.876 1.00 18.38 O -ATOM 2054 OD2 ASP B 23 48.965 39.949 23.986 1.00 18.43 O -ATOM 2055 N ASP B 24 50.494 35.842 22.255 1.00 13.95 N -ATOM 2056 CA ASP B 24 51.845 35.867 21.706 1.00 12.67 C -ATOM 2057 C ASP B 24 51.839 35.805 20.185 1.00 11.85 C -ATOM 2058 O ASP B 24 50.973 35.172 19.576 1.00 11.65 O -ATOM 2059 CB ASP B 24 52.684 34.703 22.243 1.00 12.83 C -ATOM 2060 CG ASP B 24 53.147 34.920 23.670 1.00 13.02 C -ATOM 2061 OD1 ASP B 24 53.180 36.083 24.123 1.00 13.40 O -ATOM 2062 OD2 ASP B 24 53.494 33.920 24.330 1.00 13.19 O -ATOM 2063 N THR B 25 52.821 36.465 19.582 1.00 11.02 N -ATOM 2064 CA THR B 25 52.973 36.496 18.132 1.00 10.26 C -ATOM 2065 C THR B 25 54.459 36.415 17.813 1.00 10.00 C -ATOM 2066 O THR B 25 55.296 36.573 18.705 1.00 9.62 O -ATOM 2067 CB THR B 25 52.437 37.808 17.539 1.00 10.09 C -ATOM 2068 OG1 THR B 25 53.223 38.905 18.021 1.00 10.21 O -ATOM 2069 CG2 THR B 25 50.989 38.015 17.937 1.00 10.45 C -ATOM 2070 N ASP B 26 54.785 36.162 16.549 1.00 9.95 N -ATOM 2071 CA ASP B 26 56.180 36.090 16.131 1.00 10.00 C -ATOM 2072 C ASP B 26 56.853 37.419 16.457 1.00 10.05 C -ATOM 2073 O ASP B 26 57.985 37.454 16.928 1.00 9.72 O -ATOM 2074 CB ASP B 26 56.293 35.836 14.620 1.00 10.33 C -ATOM 2075 CG ASP B 26 55.790 34.464 14.208 1.00 10.85 C -ATOM 2076 OD1 ASP B 26 55.725 33.558 15.065 1.00 11.08 O -ATOM 2077 OD2 ASP B 26 55.476 34.288 13.010 1.00 11.15 O -ATOM 2078 N GLU B 27 56.140 38.513 16.206 1.00 10.23 N -ATOM 2079 CA GLU B 27 56.667 39.848 16.455 1.00 10.72 C -ATOM 2080 C GLU B 27 57.025 40.049 17.926 1.00 10.23 C -ATOM 2081 O GLU B 27 58.069 40.613 18.247 1.00 10.12 O -ATOM 2082 CB GLU B 27 55.645 40.900 16.012 1.00 11.91 C -ATOM 2083 CG GLU B 27 55.297 40.849 14.527 1.00 14.16 C -ATOM 2084 CD GLU B 27 54.665 39.527 14.107 1.00 15.08 C -ATOM 2085 OE1 GLU B 27 53.579 39.190 14.623 1.00 15.63 O -ATOM 2086 OE2 GLU B 27 55.254 38.822 13.258 1.00 16.46 O -ATOM 2087 N LYS B 28 56.159 39.583 18.817 1.00 9.79 N -ATOM 2088 CA LYS B 28 56.406 39.717 20.246 1.00 9.73 C -ATOM 2089 C LYS B 28 57.589 38.863 20.698 1.00 9.06 C -ATOM 2090 O LYS B 28 58.358 39.262 21.575 1.00 8.91 O -ATOM 2091 CB LYS B 28 55.146 39.347 21.028 1.00 10.53 C -ATOM 2092 CG LYS B 28 54.021 40.347 20.829 1.00 12.03 C -ATOM 2093 CD LYS B 28 52.748 39.949 21.550 1.00 13.15 C -ATOM 2094 CE LYS B 28 51.679 41.011 21.351 1.00 13.75 C -ATOM 2095 NZ LYS B 28 50.382 40.627 21.963 1.00 14.72 N -ATOM 2096 N VAL B 29 57.743 37.688 20.098 1.00 8.46 N -ATOM 2097 CA VAL B 29 58.856 36.822 20.457 1.00 8.05 C -ATOM 2098 C VAL B 29 60.147 37.432 19.920 1.00 7.90 C -ATOM 2099 O VAL B 29 61.183 37.395 20.583 1.00 7.44 O -ATOM 2100 CB VAL B 29 58.641 35.393 19.911 1.00 7.89 C -ATOM 2101 CG1 VAL B 29 59.924 34.583 20.029 1.00 7.90 C -ATOM 2102 CG2 VAL B 29 57.528 34.712 20.703 1.00 7.86 C -ATOM 2103 N ILE B 30 60.087 38.006 18.723 1.00 7.89 N -ATOM 2104 CA ILE B 30 61.265 38.644 18.154 1.00 7.93 C -ATOM 2105 C ILE B 30 61.716 39.752 19.106 1.00 7.89 C -ATOM 2106 O ILE B 30 62.907 39.900 19.374 1.00 7.66 O -ATOM 2107 CB ILE B 30 60.961 39.224 16.751 1.00 7.90 C -ATOM 2108 CG1 ILE B 30 60.899 38.076 15.734 1.00 8.14 C -ATOM 2109 CG2 ILE B 30 62.025 40.248 16.353 1.00 8.14 C -ATOM 2110 CD1 ILE B 30 60.394 38.471 14.356 1.00 8.44 C -ATOM 2111 N ALA B 31 60.758 40.509 19.634 1.00 7.93 N -ATOM 2112 CA ALA B 31 61.062 41.586 20.571 1.00 8.03 C -ATOM 2113 C ALA B 31 61.661 41.021 21.861 1.00 8.00 C -ATOM 2114 O ALA B 31 62.538 41.638 22.470 1.00 8.21 O -ATOM 2115 CB ALA B 31 59.801 42.387 20.881 1.00 8.24 C -ATOM 2116 N LEU B 32 61.187 39.848 22.275 1.00 7.89 N -ATOM 2117 CA LEU B 32 61.695 39.210 23.488 1.00 7.87 C -ATOM 2118 C LEU B 32 63.166 38.844 23.303 1.00 7.67 C -ATOM 2119 O LEU B 32 63.974 38.996 24.216 1.00 7.62 O -ATOM 2120 CB LEU B 32 60.896 37.941 23.807 1.00 8.12 C -ATOM 2121 CG LEU B 32 61.182 37.294 25.166 1.00 8.62 C -ATOM 2122 CD1 LEU B 32 60.424 38.054 26.246 1.00 9.28 C -ATOM 2123 CD2 LEU B 32 60.749 35.832 25.155 1.00 9.13 C -ATOM 2124 N CYS B 33 63.508 38.355 22.114 1.00 7.52 N -ATOM 2125 CA CYS B 33 64.886 37.980 21.814 1.00 7.61 C -ATOM 2126 C CYS B 33 65.802 39.195 21.907 1.00 7.82 C -ATOM 2127 O CYS B 33 66.931 39.105 22.392 1.00 7.51 O -ATOM 2128 CB CYS B 33 64.976 37.360 20.416 1.00 7.64 C -ATOM 2129 SG CYS B 33 64.191 35.734 20.253 1.00 7.67 S -ATOM 2130 N HIS B 34 65.315 40.337 21.437 1.00 8.07 N -ATOM 2131 CA HIS B 34 66.098 41.568 21.492 1.00 8.67 C -ATOM 2132 C HIS B 34 66.303 41.985 22.944 1.00 8.96 C -ATOM 2133 O HIS B 34 67.362 42.486 23.317 1.00 8.96 O -ATOM 2134 CB HIS B 34 65.376 42.680 20.733 1.00 9.17 C -ATOM 2135 CG HIS B 34 65.259 42.428 19.262 1.00 9.76 C -ATOM 2136 ND1 HIS B 34 64.342 43.080 18.467 1.00 10.34 N -ATOM 2137 CD2 HIS B 34 65.955 41.607 18.441 1.00 9.88 C -ATOM 2138 CE1 HIS B 34 64.477 42.670 17.218 1.00 10.27 C -ATOM 2139 NE2 HIS B 34 65.449 41.777 17.174 1.00 10.48 N -ATOM 2140 N GLN B 35 65.277 41.772 23.759 1.00 9.15 N -ATOM 2141 CA GLN B 35 65.325 42.114 25.176 1.00 9.59 C -ATOM 2142 C GLN B 35 66.331 41.249 25.929 1.00 9.14 C -ATOM 2143 O GLN B 35 66.968 41.708 26.879 1.00 8.97 O -ATOM 2144 CB GLN B 35 63.938 41.937 25.797 1.00 10.80 C -ATOM 2145 CG GLN B 35 62.899 42.926 25.304 1.00 13.22 C -ATOM 2146 CD GLN B 35 61.484 42.519 25.680 1.00 14.29 C -ATOM 2147 OE1 GLN B 35 61.210 42.167 26.828 1.00 15.62 O -ATOM 2148 NE2 GLN B 35 60.576 42.569 24.709 1.00 15.47 N -ATOM 2149 N ALA B 36 66.470 39.997 25.503 1.00 8.47 N -ATOM 2150 CA ALA B 36 67.388 39.063 26.145 1.00 8.31 C -ATOM 2151 C ALA B 36 68.841 39.512 26.028 1.00 8.41 C -ATOM 2152 O ALA B 36 69.690 39.118 26.826 1.00 8.16 O -ATOM 2153 CB ALA B 36 67.214 37.675 25.545 1.00 8.01 C -ATOM 2154 N LYS B 37 69.122 40.330 25.020 1.00 8.42 N -ATOM 2155 CA LYS B 37 70.462 40.860 24.801 1.00 8.72 C -ATOM 2156 C LYS B 37 70.463 42.227 25.488 1.00 9.19 C -ATOM 2157 O LYS B 37 70.171 43.244 24.862 1.00 9.22 O -ATOM 2158 CB LYS B 37 70.712 41.003 23.296 1.00 8.44 C -ATOM 2159 CG LYS B 37 72.098 41.493 22.918 1.00 8.42 C -ATOM 2160 CD LYS B 37 72.243 41.560 21.407 1.00 8.39 C -ATOM 2161 CE LYS B 37 73.643 41.998 21.011 1.00 8.46 C -ATOM 2162 NZ LYS B 37 73.759 42.181 19.541 1.00 8.33 N -ATOM 2163 N THR B 38 70.777 42.240 26.782 1.00 9.91 N -ATOM 2164 CA THR B 38 70.762 43.479 27.563 1.00 10.64 C -ATOM 2165 C THR B 38 72.078 44.252 27.554 1.00 11.13 C -ATOM 2166 O THR B 38 73.119 43.729 27.156 1.00 10.99 O -ATOM 2167 CB THR B 38 70.372 43.208 29.040 1.00 10.81 C -ATOM 2168 OG1 THR B 38 71.553 42.980 29.821 1.00 10.68 O -ATOM 2169 CG2 THR B 38 69.464 41.988 29.136 1.00 10.97 C -ATOM 2170 N PRO B 39 72.044 45.519 28.001 1.00 11.80 N -ATOM 2171 CA PRO B 39 73.244 46.360 28.039 1.00 12.15 C -ATOM 2172 C PRO B 39 74.334 45.877 28.995 1.00 12.25 C -ATOM 2173 O PRO B 39 75.472 46.337 28.917 1.00 12.69 O -ATOM 2174 CB PRO B 39 72.699 47.727 28.452 1.00 12.34 C -ATOM 2175 CG PRO B 39 71.296 47.709 27.933 1.00 12.44 C -ATOM 2176 CD PRO B 39 70.842 46.317 28.295 1.00 12.07 C -ATOM 2177 N VAL B 40 73.989 44.959 29.896 1.00 12.11 N -ATOM 2178 CA VAL B 40 74.959 44.447 30.863 1.00 11.82 C -ATOM 2179 C VAL B 40 75.243 42.958 30.702 1.00 11.44 C -ATOM 2180 O VAL B 40 75.942 42.361 31.522 1.00 11.45 O -ATOM 2181 CB VAL B 40 74.485 44.684 32.314 1.00 12.06 C -ATOM 2182 CG1 VAL B 40 74.197 46.158 32.530 1.00 12.50 C -ATOM 2183 CG2 VAL B 40 73.246 43.842 32.602 1.00 12.09 C -ATOM 2184 N GLY B 41 74.699 42.360 29.648 1.00 10.86 N -ATOM 2185 CA GLY B 41 74.918 40.945 29.418 1.00 10.32 C -ATOM 2186 C GLY B 41 73.673 40.262 28.894 1.00 9.90 C -ATOM 2187 O GLY B 41 72.610 40.875 28.804 1.00 10.07 O -ATOM 2188 N ASN B 42 73.803 38.985 28.555 1.00 9.61 N -ATOM 2189 CA ASN B 42 72.679 38.225 28.029 1.00 9.13 C -ATOM 2190 C ASN B 42 72.036 37.348 29.089 1.00 8.72 C -ATOM 2191 O ASN B 42 72.692 36.912 30.034 1.00 8.70 O -ATOM 2192 CB ASN B 42 73.133 37.336 26.870 1.00 9.66 C -ATOM 2193 CG ASN B 42 73.776 38.122 25.747 1.00 10.05 C -ATOM 2194 OD1 ASN B 42 73.323 39.211 25.396 1.00 10.80 O -ATOM 2195 ND2 ASN B 42 74.828 37.561 25.163 1.00 10.74 N -ATOM 2196 N THR B 43 70.741 37.104 28.939 1.00 8.07 N -ATOM 2197 CA THR B 43 70.050 36.228 29.870 1.00 7.62 C -ATOM 2198 C THR B 43 70.526 34.824 29.506 1.00 7.23 C -ATOM 2199 O THR B 43 71.135 34.623 28.450 1.00 7.47 O -ATOM 2200 CB THR B 43 68.514 36.309 29.707 1.00 7.43 C -ATOM 2201 OG1 THR B 43 68.150 35.962 28.365 1.00 7.52 O -ATOM 2202 CG2 THR B 43 68.015 37.713 30.007 1.00 7.47 C -ATOM 2203 N ALA B 44 70.264 33.858 30.378 1.00 6.75 N -ATOM 2204 CA ALA B 44 70.680 32.484 30.120 1.00 6.35 C -ATOM 2205 C ALA B 44 69.896 31.898 28.959 1.00 6.12 C -ATOM 2206 O ALA B 44 70.426 31.123 28.166 1.00 6.17 O -ATOM 2207 CB ALA B 44 70.466 31.629 31.363 1.00 6.39 C -ATOM 2208 N ALA B 45 68.630 32.283 28.860 1.00 5.94 N -ATOM 2209 CA ALA B 45 67.782 31.746 27.813 1.00 6.10 C -ATOM 2210 C ALA B 45 66.490 32.535 27.693 1.00 6.01 C -ATOM 2211 O ALA B 45 66.298 33.561 28.344 1.00 5.88 O -ATOM 2212 CB ALA B 45 67.456 30.287 28.143 1.00 6.85 C -ATOM 2213 N ILE B 46 65.625 32.057 26.807 1.00 5.96 N -ATOM 2214 CA ILE B 46 64.291 32.610 26.644 1.00 6.02 C -ATOM 2215 C ILE B 46 63.398 31.382 26.807 1.00 5.84 C -ATOM 2216 O ILE B 46 63.859 30.248 26.634 1.00 6.09 O -ATOM 2217 CB ILE B 46 64.039 33.248 25.243 1.00 6.09 C -ATOM 2218 CG1 ILE B 46 64.251 32.224 24.128 1.00 6.48 C -ATOM 2219 CG2 ILE B 46 64.917 34.476 25.070 1.00 6.39 C -ATOM 2220 CD1 ILE B 46 63.847 32.742 22.751 1.00 6.88 C -ATOM 2221 N CYS B 47 62.143 31.597 27.183 1.00 5.68 N -ATOM 2222 CA CYS B 47 61.199 30.497 27.339 1.00 5.58 C -ATOM 2223 C CYS B 47 59.939 30.938 26.619 1.00 5.43 C -ATOM 2224 O CYS B 47 59.315 31.931 26.992 1.00 5.36 O -ATOM 2225 CB CYS B 47 60.899 30.221 28.814 1.00 5.77 C -ATOM 2226 SG CYS B 47 59.874 28.744 29.060 1.00 6.89 S -ATOM 2227 N ILE B 48 59.579 30.189 25.583 1.00 5.17 N -ATOM 2228 CA ILE B 48 58.433 30.514 24.741 1.00 5.08 C -ATOM 2229 C ILE B 48 57.665 29.259 24.342 1.00 4.86 C -ATOM 2230 O ILE B 48 58.122 28.144 24.579 1.00 4.91 O -ATOM 2231 CB ILE B 48 58.927 31.201 23.451 1.00 5.54 C -ATOM 2232 CG1 ILE B 48 59.984 30.312 22.783 1.00 5.82 C -ATOM 2233 CG2 ILE B 48 59.525 32.567 23.775 1.00 5.83 C -ATOM 2234 CD1 ILE B 48 60.544 30.858 21.484 1.00 6.31 C -ATOM 2235 N TYR B 49 56.498 29.440 23.731 1.00 4.81 N -ATOM 2236 CA TYR B 49 55.724 28.292 23.276 1.00 4.86 C -ATOM 2237 C TYR B 49 56.480 27.666 22.100 1.00 4.94 C -ATOM 2238 O TYR B 49 57.158 28.360 21.339 1.00 4.54 O -ATOM 2239 CB TYR B 49 54.309 28.713 22.862 1.00 5.18 C -ATOM 2240 CG TYR B 49 53.361 28.897 24.032 1.00 5.36 C -ATOM 2241 CD1 TYR B 49 53.123 27.856 24.932 1.00 5.91 C -ATOM 2242 CD2 TYR B 49 52.692 30.104 24.233 1.00 6.01 C -ATOM 2243 CE1 TYR B 49 52.242 28.012 25.998 1.00 6.09 C -ATOM 2244 CE2 TYR B 49 51.808 30.268 25.298 1.00 6.12 C -ATOM 2245 CZ TYR B 49 51.588 29.218 26.174 1.00 6.53 C -ATOM 2246 OH TYR B 49 50.711 29.371 27.225 1.00 7.94 O -ATOM 2247 N PRO B 50 56.367 26.341 21.935 1.00 4.83 N -ATOM 2248 CA PRO B 50 57.053 25.618 20.861 1.00 4.98 C -ATOM 2249 C PRO B 50 57.013 26.211 19.454 1.00 4.88 C -ATOM 2250 O PRO B 50 58.036 26.237 18.767 1.00 4.78 O -ATOM 2251 CB PRO B 50 56.408 24.236 20.909 1.00 5.14 C -ATOM 2252 CG PRO B 50 56.064 24.070 22.353 1.00 5.38 C -ATOM 2253 CD PRO B 50 55.519 25.429 22.726 1.00 4.84 C -ATOM 2254 N ARG B 51 55.849 26.688 19.026 1.00 4.99 N -ATOM 2255 CA ARG B 51 55.713 27.219 17.671 1.00 5.13 C -ATOM 2256 C ARG B 51 56.581 28.424 17.340 1.00 5.15 C -ATOM 2257 O ARG B 51 56.794 28.729 16.166 1.00 5.52 O -ATOM 2258 CB ARG B 51 54.250 27.554 17.380 1.00 5.20 C -ATOM 2259 CG ARG B 51 53.655 28.667 18.226 1.00 6.00 C -ATOM 2260 CD ARG B 51 52.161 28.750 17.939 1.00 6.37 C -ATOM 2261 NE ARG B 51 51.465 29.812 18.664 1.00 7.06 N -ATOM 2262 CZ ARG B 51 51.108 29.755 19.944 1.00 7.11 C -ATOM 2263 NH1 ARG B 51 51.380 28.682 20.680 1.00 7.43 N -ATOM 2264 NH2 ARG B 51 50.444 30.771 20.482 1.00 8.07 N -ATOM 2265 N PHE B 52 57.091 29.101 18.361 1.00 4.94 N -ATOM 2266 CA PHE B 52 57.923 30.278 18.144 1.00 5.23 C -ATOM 2267 C PHE B 52 59.415 29.970 18.156 1.00 5.27 C -ATOM 2268 O PHE B 52 60.237 30.856 17.932 1.00 5.62 O -ATOM 2269 CB PHE B 52 57.609 31.330 19.206 1.00 5.13 C -ATOM 2270 CG PHE B 52 56.179 31.785 19.199 1.00 4.92 C -ATOM 2271 CD1 PHE B 52 55.652 32.450 18.094 1.00 5.41 C -ATOM 2272 CD2 PHE B 52 55.358 31.553 20.296 1.00 5.09 C -ATOM 2273 CE1 PHE B 52 54.325 32.878 18.084 1.00 5.42 C -ATOM 2274 CE2 PHE B 52 54.030 31.978 20.297 1.00 5.38 C -ATOM 2275 CZ PHE B 52 53.514 32.643 19.186 1.00 5.37 C -ATOM 2276 N ILE B 53 59.771 28.712 18.387 1.00 5.35 N -ATOM 2277 CA ILE B 53 61.181 28.343 18.451 1.00 5.28 C -ATOM 2278 C ILE B 53 62.016 28.620 17.188 1.00 5.38 C -ATOM 2279 O ILE B 53 63.084 29.223 17.276 1.00 5.48 O -ATOM 2280 CB ILE B 53 61.341 26.856 18.862 1.00 5.34 C -ATOM 2281 CG1 ILE B 53 60.848 26.671 20.301 1.00 5.23 C -ATOM 2282 CG2 ILE B 53 62.802 26.422 18.735 1.00 5.57 C -ATOM 2283 CD1 ILE B 53 60.809 25.229 20.757 1.00 5.32 C -ATOM 2284 N PRO B 54 61.545 28.198 15.999 1.00 5.42 N -ATOM 2285 CA PRO B 54 62.336 28.449 14.787 1.00 5.57 C -ATOM 2286 C PRO B 54 62.682 29.915 14.527 1.00 5.63 C -ATOM 2287 O PRO B 54 63.840 30.246 14.252 1.00 5.52 O -ATOM 2288 CB PRO B 54 61.468 27.858 13.677 1.00 5.55 C -ATOM 2289 CG PRO B 54 60.718 26.761 14.386 1.00 5.78 C -ATOM 2290 CD PRO B 54 60.332 27.427 15.679 1.00 5.63 C -ATOM 2291 N ILE B 55 61.688 30.794 14.604 1.00 5.64 N -ATOM 2292 CA ILE B 55 61.942 32.209 14.369 1.00 6.05 C -ATOM 2293 C ILE B 55 62.796 32.812 15.487 1.00 5.86 C -ATOM 2294 O ILE B 55 63.615 33.702 15.244 1.00 5.82 O -ATOM 2295 CB ILE B 55 60.614 33.007 14.204 1.00 6.56 C -ATOM 2296 CG1 ILE B 55 60.925 34.459 13.818 1.00 6.91 C -ATOM 2297 CG2 ILE B 55 59.782 32.934 15.473 1.00 7.22 C -ATOM 2298 CD1 ILE B 55 61.671 34.590 12.510 1.00 7.52 C -ATOM 2299 N ALA B 56 62.628 32.315 16.709 1.00 5.64 N -ATOM 2300 CA ALA B 56 63.416 32.813 17.831 1.00 5.73 C -ATOM 2301 C ALA B 56 64.885 32.433 17.630 1.00 5.81 C -ATOM 2302 O ALA B 56 65.781 33.248 17.856 1.00 6.01 O -ATOM 2303 CB ALA B 56 62.893 32.235 19.147 1.00 5.81 C -ATOM 2304 N ARG B 57 65.130 31.198 17.197 1.00 5.80 N -ATOM 2305 CA ARG B 57 66.495 30.737 16.967 1.00 6.02 C -ATOM 2306 C ARG B 57 67.179 31.616 15.929 1.00 6.09 C -ATOM 2307 O ARG B 57 68.333 32.005 16.096 1.00 6.11 O -ATOM 2308 CB ARG B 57 66.504 29.287 16.476 1.00 6.34 C -ATOM 2309 CG ARG B 57 67.908 28.728 16.272 1.00 6.97 C -ATOM 2310 CD ARG B 57 68.588 28.447 17.605 1.00 7.69 C -ATOM 2311 NE ARG B 57 68.146 27.177 18.175 1.00 8.20 N -ATOM 2312 CZ ARG B 57 68.467 26.746 19.390 1.00 8.31 C -ATOM 2313 NH1 ARG B 57 69.230 27.486 20.185 1.00 8.30 N -ATOM 2314 NH2 ARG B 57 68.050 25.559 19.799 1.00 8.59 N -ATOM 2315 N LYS B 58 66.459 31.922 14.852 1.00 6.33 N -ATOM 2316 CA LYS B 58 66.996 32.757 13.784 1.00 6.62 C -ATOM 2317 C LYS B 58 67.298 34.159 14.301 1.00 6.52 C -ATOM 2318 O LYS B 58 68.347 34.727 14.000 1.00 6.47 O -ATOM 2319 CB LYS B 58 65.996 32.829 12.626 1.00 7.07 C -ATOM 2320 CG LYS B 58 66.444 33.671 11.440 1.00 8.23 C -ATOM 2321 CD LYS B 58 65.486 33.490 10.267 1.00 8.51 C -ATOM 2322 CE LYS B 58 65.929 34.274 9.043 1.00 9.29 C -ATOM 2323 NZ LYS B 58 65.090 33.926 7.864 1.00 9.74 N -ATOM 2324 N THR B 59 66.381 34.707 15.090 1.00 6.13 N -ATOM 2325 CA THR B 59 66.547 36.049 15.640 1.00 6.14 C -ATOM 2326 C THR B 59 67.761 36.131 16.567 1.00 6.20 C -ATOM 2327 O THR B 59 68.562 37.064 16.478 1.00 6.19 O -ATOM 2328 CB THR B 59 65.278 36.485 16.401 1.00 6.11 C -ATOM 2329 OG1 THR B 59 64.143 36.405 15.523 1.00 6.45 O -ATOM 2330 CG2 THR B 59 65.422 37.911 16.900 1.00 5.92 C -ATOM 2331 N LEU B 60 67.901 35.153 17.458 1.00 6.02 N -ATOM 2332 CA LEU B 60 69.029 35.128 18.385 1.00 6.25 C -ATOM 2333 C LEU B 60 70.355 34.973 17.634 1.00 6.59 C -ATOM 2334 O LEU B 60 71.358 35.592 17.991 1.00 6.70 O -ATOM 2335 CB LEU B 60 68.852 33.986 19.398 1.00 6.12 C -ATOM 2336 CG LEU B 60 67.680 34.123 20.380 1.00 6.14 C -ATOM 2337 CD1 LEU B 60 67.499 32.823 21.153 1.00 6.36 C -ATOM 2338 CD2 LEU B 60 67.934 35.284 21.333 1.00 6.05 C -ATOM 2339 N LYS B 61 70.355 34.158 16.584 1.00 6.99 N -ATOM 2340 CA LYS B 61 71.564 33.937 15.794 1.00 7.59 C -ATOM 2341 C LYS B 61 71.978 35.193 15.035 1.00 7.59 C -ATOM 2342 O LYS B 61 73.150 35.575 15.038 1.00 7.64 O -ATOM 2343 CB LYS B 61 71.345 32.790 14.797 1.00 8.28 C -ATOM 2344 CG LYS B 61 72.547 32.488 13.905 1.00 9.37 C -ATOM 2345 CD LYS B 61 72.213 31.428 12.860 1.00 10.44 C -ATOM 2346 CE LYS B 61 73.412 31.125 11.974 1.00 11.30 C -ATOM 2347 NZ LYS B 61 73.101 30.091 10.945 1.00 12.07 N -ATOM 2348 N GLU B 62 71.011 35.849 14.404 1.00 7.89 N -ATOM 2349 CA GLU B 62 71.312 37.032 13.616 1.00 8.47 C -ATOM 2350 C GLU B 62 71.766 38.240 14.425 1.00 8.17 C -ATOM 2351 O GLU B 62 72.396 39.142 13.873 1.00 8.13 O -ATOM 2352 CB GLU B 62 70.117 37.392 12.727 1.00 9.41 C -ATOM 2353 CG GLU B 62 69.682 36.240 11.824 1.00 11.85 C -ATOM 2354 CD GLU B 62 68.861 36.684 10.625 1.00 12.41 C -ATOM 2355 OE1 GLU B 62 68.039 37.613 10.763 1.00 13.87 O -ATOM 2356 OE2 GLU B 62 69.030 36.085 9.542 1.00 13.84 O -ATOM 2357 N GLN B 63 71.463 38.266 15.723 1.00 7.80 N -ATOM 2358 CA GLN B 63 71.906 39.382 16.559 1.00 7.72 C -ATOM 2359 C GLN B 63 73.184 39.005 17.306 1.00 7.68 C -ATOM 2360 O GLN B 63 73.607 39.702 18.229 1.00 7.88 O -ATOM 2361 CB GLN B 63 70.823 39.816 17.558 1.00 7.53 C -ATOM 2362 CG GLN B 63 70.396 38.757 18.561 1.00 7.28 C -ATOM 2363 CD GLN B 63 69.412 39.290 19.592 1.00 7.33 C -ATOM 2364 OE1 GLN B 63 68.666 40.234 19.330 1.00 7.77 O -ATOM 2365 NE2 GLN B 63 69.392 38.669 20.766 1.00 7.37 N -ATOM 2366 N GLY B 64 73.790 37.893 16.903 1.00 7.86 N -ATOM 2367 CA GLY B 64 75.034 37.460 17.513 1.00 8.15 C -ATOM 2368 C GLY B 64 74.975 36.896 18.918 1.00 8.60 C -ATOM 2369 O GLY B 64 75.977 36.929 19.631 1.00 8.97 O -ATOM 2370 N THR B 65 73.822 36.376 19.327 1.00 8.61 N -ATOM 2371 CA THR B 65 73.693 35.792 20.659 1.00 8.58 C -ATOM 2372 C THR B 65 73.168 34.360 20.592 1.00 8.67 C -ATOM 2373 O THR B 65 72.144 34.035 21.192 1.00 8.34 O -ATOM 2374 CB THR B 65 72.755 36.628 21.560 1.00 8.49 C -ATOM 2375 OG1 THR B 65 71.434 36.647 21.006 1.00 8.17 O -ATOM 2376 CG2 THR B 65 73.268 38.048 21.675 1.00 8.90 C -ATOM 2377 N PRO B 66 73.868 33.478 19.860 1.00 8.97 N -ATOM 2378 CA PRO B 66 73.412 32.089 19.758 1.00 9.33 C -ATOM 2379 C PRO B 66 73.543 31.321 21.069 1.00 9.60 C -ATOM 2380 O PRO B 66 72.983 30.233 21.212 1.00 9.64 O -ATOM 2381 CB PRO B 66 74.300 31.517 18.657 1.00 9.49 C -ATOM 2382 CG PRO B 66 75.580 32.259 18.853 1.00 9.43 C -ATOM 2383 CD PRO B 66 75.107 33.682 19.088 1.00 9.23 C -ATOM 2384 N GLU B 67 74.278 31.892 22.021 1.00 9.79 N -ATOM 2385 CA GLU B 67 74.484 31.254 23.319 1.00 9.96 C -ATOM 2386 C GLU B 67 73.259 31.378 24.215 1.00 9.50 C -ATOM 2387 O GLU B 67 73.187 30.737 25.266 1.00 9.65 O -ATOM 2388 CB GLU B 67 75.698 31.851 24.037 1.00 10.95 C -ATOM 2389 CG GLU B 67 75.512 33.292 24.481 1.00 12.37 C -ATOM 2390 CD GLU B 67 76.038 34.294 23.475 1.00 13.06 C -ATOM 2391 OE1 GLU B 67 75.801 34.110 22.263 1.00 13.48 O -ATOM 2392 OE2 GLU B 67 76.686 35.273 23.902 1.00 14.29 O -ATOM 2393 N ILE B 68 72.311 32.225 23.828 1.00 8.54 N -ATOM 2394 CA ILE B 68 71.086 32.361 24.607 1.00 8.14 C -ATOM 2395 C ILE B 68 70.259 31.137 24.235 1.00 7.97 C -ATOM 2396 O ILE B 68 69.837 30.976 23.088 1.00 7.80 O -ATOM 2397 CB ILE B 68 70.321 33.658 24.265 1.00 7.80 C -ATOM 2398 CG1 ILE B 68 71.152 34.872 24.702 1.00 7.94 C -ATOM 2399 CG2 ILE B 68 68.966 33.663 24.965 1.00 7.82 C -ATOM 2400 CD1 ILE B 68 70.510 36.224 24.397 1.00 7.95 C -ATOM 2401 N ARG B 69 70.066 30.258 25.210 1.00 7.70 N -ATOM 2402 CA ARG B 69 69.335 29.015 25.013 1.00 7.71 C -ATOM 2403 C ARG B 69 67.843 29.211 24.809 1.00 6.92 C -ATOM 2404 O ARG B 69 67.276 30.227 25.207 1.00 6.55 O -ATOM 2405 CB ARG B 69 69.587 28.089 26.210 1.00 9.07 C -ATOM 2406 CG ARG B 69 71.034 27.607 26.284 1.00 11.05 C -ATOM 2407 CD ARG B 69 71.401 26.964 27.613 1.00 13.23 C -ATOM 2408 NE ARG B 69 71.757 27.957 28.623 1.00 14.59 N -ATOM 2409 CZ ARG B 69 72.694 28.888 28.452 1.00 15.13 C -ATOM 2410 NH1 ARG B 69 73.372 28.952 27.314 1.00 15.99 N -ATOM 2411 NH2 ARG B 69 72.944 29.766 29.408 1.00 15.14 N -ATOM 2412 N ILE B 70 67.208 28.239 24.163 1.00 6.25 N -ATOM 2413 CA ILE B 70 65.772 28.320 23.948 1.00 5.83 C -ATOM 2414 C ILE B 70 65.055 27.205 24.703 1.00 5.59 C -ATOM 2415 O ILE B 70 65.229 26.014 24.416 1.00 5.54 O -ATOM 2416 CB ILE B 70 65.406 28.230 22.450 1.00 5.87 C -ATOM 2417 CG1 ILE B 70 66.067 29.375 21.677 1.00 5.89 C -ATOM 2418 CG2 ILE B 70 63.888 28.301 22.290 1.00 5.87 C -ATOM 2419 CD1 ILE B 70 65.822 29.326 20.180 1.00 6.22 C -ATOM 2420 N ALA B 71 64.269 27.604 25.692 1.00 5.20 N -ATOM 2421 CA ALA B 71 63.489 26.666 26.478 1.00 5.12 C -ATOM 2422 C ALA B 71 62.035 26.812 26.055 1.00 5.08 C -ATOM 2423 O ALA B 71 61.624 27.851 25.528 1.00 5.11 O -ATOM 2424 CB ALA B 71 63.638 26.968 27.969 1.00 5.01 C -ATOM 2425 N THR B 72 61.254 25.766 26.277 1.00 4.89 N -ATOM 2426 CA THR B 72 59.846 25.806 25.931 1.00 4.88 C -ATOM 2427 C THR B 72 59.087 24.976 26.964 1.00 4.94 C -ATOM 2428 O THR B 72 59.687 24.460 27.911 1.00 5.10 O -ATOM 2429 CB THR B 72 59.626 25.279 24.482 1.00 4.96 C -ATOM 2430 OG1 THR B 72 58.278 25.541 24.071 1.00 5.25 O -ATOM 2431 CG2 THR B 72 59.912 23.791 24.393 1.00 5.16 C -ATOM 2432 N VAL B 73 57.775 24.862 26.799 1.00 4.97 N -ATOM 2433 CA VAL B 73 56.955 24.110 27.740 1.00 5.12 C -ATOM 2434 C VAL B 73 56.074 23.091 27.034 1.00 4.91 C -ATOM 2435 O VAL B 73 55.628 23.325 25.911 1.00 5.13 O -ATOM 2436 CB VAL B 73 56.033 25.055 28.554 1.00 5.13 C -ATOM 2437 CG1 VAL B 73 56.866 25.976 29.438 1.00 5.70 C -ATOM 2438 CG2 VAL B 73 55.159 25.870 27.606 1.00 5.87 C -ATOM 2439 N THR B 74 55.841 21.957 27.695 1.00 4.83 N -ATOM 2440 CA THR B 74 54.980 20.900 27.166 1.00 4.78 C -ATOM 2441 C THR B 74 54.086 20.363 28.294 1.00 4.70 C -ATOM 2442 O THR B 74 54.371 20.583 29.482 1.00 4.55 O -ATOM 2443 CB THR B 74 55.795 19.747 26.519 1.00 4.84 C -ATOM 2444 OG1 THR B 74 56.675 19.161 27.486 1.00 4.58 O -ATOM 2445 CG2 THR B 74 56.612 20.273 25.346 1.00 4.82 C -ATOM 2446 N ASN B 75 53.005 19.676 27.913 1.00 4.77 N -ATOM 2447 CA ASN B 75 52.003 19.148 28.853 1.00 4.67 C -ATOM 2448 C ASN B 75 51.598 20.320 29.734 1.00 4.80 C -ATOM 2449 O ASN B 75 51.258 20.164 30.905 1.00 4.87 O -ATOM 2450 CB ASN B 75 52.588 18.019 29.710 1.00 4.54 C -ATOM 2451 CG ASN B 75 51.512 17.092 30.249 1.00 4.53 C -ATOM 2452 OD1 ASN B 75 50.569 16.756 29.537 1.00 5.19 O -ATOM 2453 ND2 ASN B 75 51.655 16.665 31.499 1.00 4.47 N -ATOM 2454 N PHE B 76 51.576 21.489 29.107 1.00 4.91 N -ATOM 2455 CA PHE B 76 51.350 22.767 29.766 1.00 5.38 C -ATOM 2456 C PHE B 76 50.039 23.485 29.439 1.00 5.55 C -ATOM 2457 O PHE B 76 49.585 23.481 28.298 1.00 5.96 O -ATOM 2458 CB PHE B 76 52.563 23.626 29.392 1.00 5.05 C -ATOM 2459 CG PHE B 76 52.580 24.998 29.991 1.00 4.75 C -ATOM 2460 CD1 PHE B 76 51.824 26.027 29.437 1.00 4.98 C -ATOM 2461 CD2 PHE B 76 53.415 25.283 31.067 1.00 4.93 C -ATOM 2462 CE1 PHE B 76 51.905 27.322 29.942 1.00 5.06 C -ATOM 2463 CE2 PHE B 76 53.503 26.573 31.578 1.00 5.01 C -ATOM 2464 CZ PHE B 76 52.747 27.594 31.014 1.00 5.30 C -ATOM 2465 N PRO B 77 49.416 24.129 30.443 1.00 5.79 N -ATOM 2466 CA PRO B 77 49.864 24.215 31.838 1.00 5.91 C -ATOM 2467 C PRO B 77 49.166 23.174 32.715 1.00 5.96 C -ATOM 2468 O PRO B 77 49.469 23.036 33.898 1.00 6.02 O -ATOM 2469 CB PRO B 77 49.456 25.627 32.225 1.00 6.04 C -ATOM 2470 CG PRO B 77 48.112 25.737 31.558 1.00 6.13 C -ATOM 2471 CD PRO B 77 48.359 25.126 30.179 1.00 6.12 C -ATOM 2472 N HIS B 78 48.243 22.440 32.102 1.00 6.06 N -ATOM 2473 CA HIS B 78 47.421 21.442 32.780 1.00 6.21 C -ATOM 2474 C HIS B 78 48.096 20.322 33.565 1.00 6.04 C -ATOM 2475 O HIS B 78 47.625 19.954 34.638 1.00 6.29 O -ATOM 2476 CB HIS B 78 46.460 20.817 31.769 1.00 6.50 C -ATOM 2477 CG HIS B 78 47.142 20.258 30.561 1.00 6.94 C -ATOM 2478 ND1 HIS B 78 47.154 20.904 29.343 1.00 7.77 N -ATOM 2479 CD2 HIS B 78 47.858 19.121 30.391 1.00 6.94 C -ATOM 2480 CE1 HIS B 78 47.846 20.187 28.475 1.00 7.36 C -ATOM 2481 NE2 HIS B 78 48.284 19.101 29.086 1.00 7.99 N -ATOM 2482 N GLY B 79 49.179 19.763 33.042 1.00 5.98 N -ATOM 2483 CA GLY B 79 49.822 18.670 33.745 1.00 5.98 C -ATOM 2484 C GLY B 79 48.948 17.427 33.727 1.00 6.04 C -ATOM 2485 O GLY B 79 48.859 16.703 34.719 1.00 5.93 O -ATOM 2486 N ASN B 80 48.293 17.178 32.597 1.00 6.18 N -ATOM 2487 CA ASN B 80 47.438 16.003 32.472 1.00 6.71 C -ATOM 2488 C ASN B 80 48.291 14.743 32.584 1.00 6.90 C -ATOM 2489 O ASN B 80 49.516 14.799 32.471 1.00 6.78 O -ATOM 2490 CB ASN B 80 46.672 16.032 31.145 1.00 7.00 C -ATOM 2491 CG ASN B 80 45.607 17.115 31.115 1.00 7.59 C -ATOM 2492 OD1 ASN B 80 45.189 17.618 32.162 1.00 8.22 O -ATOM 2493 ND2 ASN B 80 45.158 17.474 29.917 1.00 8.16 N -ATOM 2494 N ASP B 81 47.647 13.603 32.806 1.00 7.18 N -ATOM 2495 CA ASP B 81 48.392 12.365 32.976 1.00 7.50 C -ATOM 2496 C ASP B 81 48.432 11.451 31.754 1.00 7.42 C -ATOM 2497 O ASP B 81 48.613 10.241 31.883 1.00 7.41 O -ATOM 2498 CB ASP B 81 47.856 11.608 34.196 1.00 8.41 C -ATOM 2499 CG ASP B 81 46.569 10.875 33.910 1.00 9.10 C -ATOM 2500 OD1 ASP B 81 45.798 11.327 33.038 1.00 9.25 O -ATOM 2501 OD2 ASP B 81 46.325 9.844 34.575 1.00 10.23 O -ATOM 2502 N ASP B 82 48.259 12.028 30.568 1.00 7.26 N -ATOM 2503 CA ASP B 82 48.325 11.244 29.339 1.00 7.12 C -ATOM 2504 C ASP B 82 49.773 11.338 28.859 1.00 6.99 C -ATOM 2505 O ASP B 82 50.204 12.362 28.318 1.00 6.81 O -ATOM 2506 CB ASP B 82 47.379 11.803 28.271 1.00 7.73 C -ATOM 2507 CG ASP B 82 47.295 10.911 27.043 1.00 8.09 C -ATOM 2508 OD1 ASP B 82 48.354 10.439 26.582 1.00 8.53 O -ATOM 2509 OD2 ASP B 82 46.174 10.690 26.530 1.00 9.29 O -ATOM 2510 N ILE B 83 50.524 10.267 29.077 1.00 6.92 N -ATOM 2511 CA ILE B 83 51.927 10.215 28.695 1.00 6.97 C -ATOM 2512 C ILE B 83 52.138 10.298 27.184 1.00 6.96 C -ATOM 2513 O ILE B 83 53.102 10.911 26.718 1.00 6.82 O -ATOM 2514 CB ILE B 83 52.585 8.928 29.243 1.00 7.19 C -ATOM 2515 CG1 ILE B 83 52.438 8.892 30.768 1.00 7.83 C -ATOM 2516 CG2 ILE B 83 54.055 8.878 28.845 1.00 7.70 C -ATOM 2517 CD1 ILE B 83 52.887 7.585 31.402 1.00 8.34 C -ATOM 2518 N ASP B 84 51.242 9.691 26.414 1.00 7.04 N -ATOM 2519 CA ASP B 84 51.380 9.733 24.961 1.00 7.30 C -ATOM 2520 C ASP B 84 51.331 11.170 24.451 1.00 6.85 C -ATOM 2521 O ASP B 84 52.118 11.561 23.590 1.00 6.76 O -ATOM 2522 CB ASP B 84 50.283 8.897 24.291 1.00 8.32 C -ATOM 2523 CG ASP B 84 50.432 7.412 24.571 1.00 9.41 C -ATOM 2524 OD1 ASP B 84 51.545 6.877 24.387 1.00 10.51 O -ATOM 2525 OD2 ASP B 84 49.435 6.779 24.968 1.00 11.03 O -ATOM 2526 N ILE B 85 50.414 11.962 24.994 1.00 6.44 N -ATOM 2527 CA ILE B 85 50.287 13.354 24.580 1.00 6.18 C -ATOM 2528 C ILE B 85 51.497 14.172 25.038 1.00 5.99 C -ATOM 2529 O ILE B 85 52.062 14.946 24.266 1.00 5.76 O -ATOM 2530 CB ILE B 85 48.968 13.972 25.126 1.00 6.15 C -ATOM 2531 CG1 ILE B 85 47.774 13.366 24.375 1.00 6.41 C -ATOM 2532 CG2 ILE B 85 48.994 15.492 24.986 1.00 6.39 C -ATOM 2533 CD1 ILE B 85 46.417 13.946 24.760 1.00 6.29 C -ATOM 2534 N ALA B 86 51.910 13.990 26.288 1.00 5.78 N -ATOM 2535 CA ALA B 86 53.058 14.724 26.809 1.00 5.56 C -ATOM 2536 C ALA B 86 54.317 14.401 26.003 1.00 5.59 C -ATOM 2537 O ALA B 86 55.124 15.286 25.707 1.00 5.49 O -ATOM 2538 CB ALA B 86 53.266 14.390 28.287 1.00 5.51 C -ATOM 2539 N LEU B 87 54.479 13.135 25.634 1.00 5.72 N -ATOM 2540 CA LEU B 87 55.647 12.723 24.865 1.00 5.77 C -ATOM 2541 C LEU B 87 55.607 13.278 23.441 1.00 5.71 C -ATOM 2542 O LEU B 87 56.630 13.706 22.906 1.00 5.76 O -ATOM 2543 CB LEU B 87 55.746 11.195 24.834 1.00 6.36 C -ATOM 2544 CG LEU B 87 56.935 10.615 24.062 1.00 6.65 C -ATOM 2545 CD1 LEU B 87 58.253 11.133 24.631 1.00 7.07 C -ATOM 2546 CD2 LEU B 87 56.879 9.099 24.143 1.00 7.20 C -ATOM 2547 N ALA B 88 54.430 13.270 22.824 1.00 5.47 N -ATOM 2548 CA ALA B 88 54.298 13.789 21.469 1.00 5.50 C -ATOM 2549 C ALA B 88 54.637 15.276 21.445 1.00 5.39 C -ATOM 2550 O ALA B 88 55.338 15.746 20.546 1.00 5.56 O -ATOM 2551 CB ALA B 88 52.883 13.565 20.949 1.00 5.58 C -ATOM 2552 N GLU B 89 54.139 16.019 22.430 1.00 5.31 N -ATOM 2553 CA GLU B 89 54.416 17.448 22.500 1.00 5.21 C -ATOM 2554 C GLU B 89 55.904 17.689 22.703 1.00 5.26 C -ATOM 2555 O GLU B 89 56.485 18.593 22.099 1.00 5.17 O -ATOM 2556 CB GLU B 89 53.623 18.095 23.639 1.00 5.45 C -ATOM 2557 CG GLU B 89 52.117 17.976 23.460 1.00 5.94 C -ATOM 2558 CD GLU B 89 51.330 18.789 24.465 1.00 6.53 C -ATOM 2559 OE1 GLU B 89 51.915 19.221 25.481 1.00 6.97 O -ATOM 2560 OE2 GLU B 89 50.116 18.986 24.245 1.00 6.98 O -ATOM 2561 N THR B 90 56.522 16.868 23.543 1.00 5.03 N -ATOM 2562 CA THR B 90 57.945 16.993 23.819 1.00 4.83 C -ATOM 2563 C THR B 90 58.770 16.678 22.563 1.00 4.78 C -ATOM 2564 O THR B 90 59.739 17.376 22.257 1.00 4.26 O -ATOM 2565 CB THR B 90 58.334 16.068 24.996 1.00 4.82 C -ATOM 2566 OG1 THR B 90 57.667 16.521 26.184 1.00 5.30 O -ATOM 2567 CG2 THR B 90 59.832 16.084 25.234 1.00 5.04 C -ATOM 2568 N ARG B 91 58.382 15.642 21.824 1.00 4.90 N -ATOM 2569 CA ARG B 91 59.100 15.303 20.603 1.00 5.38 C -ATOM 2570 C ARG B 91 58.927 16.423 19.579 1.00 5.07 C -ATOM 2571 O ARG B 91 59.845 16.722 18.823 1.00 4.94 O -ATOM 2572 CB ARG B 91 58.619 13.956 20.046 1.00 6.42 C -ATOM 2573 CG ARG B 91 59.157 12.775 20.849 1.00 8.33 C -ATOM 2574 CD ARG B 91 58.622 11.424 20.403 1.00 10.07 C -ATOM 2575 NE ARG B 91 59.361 10.343 21.053 1.00 11.63 N -ATOM 2576 CZ ARG B 91 58.951 9.081 21.136 1.00 12.46 C -ATOM 2577 NH1 ARG B 91 57.787 8.716 20.613 1.00 13.02 N -ATOM 2578 NH2 ARG B 91 59.719 8.179 21.734 1.00 13.03 N -ATOM 2579 N ALA B 92 57.756 17.054 19.566 1.00 4.76 N -ATOM 2580 CA ALA B 92 57.519 18.160 18.642 1.00 4.59 C -ATOM 2581 C ALA B 92 58.416 19.337 19.024 1.00 4.54 C -ATOM 2582 O ALA B 92 59.011 19.976 18.160 1.00 4.33 O -ATOM 2583 CB ALA B 92 56.049 18.577 18.674 1.00 4.46 C -ATOM 2584 N ALA B 93 58.522 19.611 20.322 1.00 4.51 N -ATOM 2585 CA ALA B 93 59.365 20.699 20.805 1.00 4.67 C -ATOM 2586 C ALA B 93 60.812 20.456 20.379 1.00 4.71 C -ATOM 2587 O ALA B 93 61.518 21.382 19.970 1.00 4.81 O -ATOM 2588 CB ALA B 93 59.278 20.794 22.319 1.00 4.69 C -ATOM 2589 N ILE B 94 61.250 19.204 20.482 1.00 4.93 N -ATOM 2590 CA ILE B 94 62.604 18.838 20.091 1.00 5.30 C -ATOM 2591 C ILE B 94 62.777 19.089 18.593 1.00 5.46 C -ATOM 2592 O ILE B 94 63.787 19.647 18.163 1.00 5.64 O -ATOM 2593 CB ILE B 94 62.884 17.346 20.419 1.00 5.46 C -ATOM 2594 CG1 ILE B 94 62.963 17.160 21.939 1.00 5.69 C -ATOM 2595 CG2 ILE B 94 64.175 16.882 19.752 1.00 5.88 C -ATOM 2596 CD1 ILE B 94 62.943 15.706 22.385 1.00 6.13 C -ATOM 2597 N ALA B 95 61.780 18.690 17.804 1.00 5.40 N -ATOM 2598 CA ALA B 95 61.829 18.870 16.355 1.00 5.63 C -ATOM 2599 C ALA B 95 61.863 20.348 15.958 1.00 5.78 C -ATOM 2600 O ALA B 95 62.519 20.718 14.979 1.00 6.16 O -ATOM 2601 CB ALA B 95 60.637 18.171 15.703 1.00 5.61 C -ATOM 2602 N TYR B 96 61.151 21.188 16.707 1.00 5.68 N -ATOM 2603 CA TYR B 96 61.134 22.626 16.437 1.00 5.71 C -ATOM 2604 C TYR B 96 62.538 23.185 16.633 1.00 5.85 C -ATOM 2605 O TYR B 96 62.917 24.160 15.987 1.00 6.51 O -ATOM 2606 CB TYR B 96 60.188 23.359 17.391 1.00 5.02 C -ATOM 2607 CG TYR B 96 58.732 23.428 16.971 1.00 4.32 C -ATOM 2608 CD1 TYR B 96 58.352 24.035 15.772 1.00 4.07 C -ATOM 2609 CD2 TYR B 96 57.725 22.973 17.821 1.00 4.30 C -ATOM 2610 CE1 TYR B 96 57.003 24.196 15.439 1.00 4.09 C -ATOM 2611 CE2 TYR B 96 56.379 23.130 17.498 1.00 4.20 C -ATOM 2612 CZ TYR B 96 56.022 23.744 16.311 1.00 4.21 C -ATOM 2613 OH TYR B 96 54.684 23.923 16.023 1.00 4.84 O -ATOM 2614 N GLY B 97 63.290 22.575 17.548 1.00 6.09 N -ATOM 2615 CA GLY B 97 64.649 23.014 17.815 1.00 6.18 C -ATOM 2616 C GLY B 97 64.933 23.450 19.244 1.00 6.13 C -ATOM 2617 O GLY B 97 65.915 24.142 19.492 1.00 6.63 O -ATOM 2618 N ALA B 98 64.103 23.042 20.197 1.00 5.93 N -ATOM 2619 CA ALA B 98 64.320 23.444 21.586 1.00 5.74 C -ATOM 2620 C ALA B 98 65.636 22.944 22.172 1.00 5.71 C -ATOM 2621 O ALA B 98 66.106 21.859 21.836 1.00 5.64 O -ATOM 2622 CB ALA B 98 63.165 22.957 22.450 1.00 5.88 C -ATOM 2623 N ASP B 99 66.236 23.753 23.043 1.00 5.79 N -ATOM 2624 CA ASP B 99 67.461 23.355 23.730 1.00 5.77 C -ATOM 2625 C ASP B 99 67.036 22.706 25.044 1.00 5.70 C -ATOM 2626 O ASP B 99 67.726 21.838 25.580 1.00 5.70 O -ATOM 2627 CB ASP B 99 68.338 24.563 24.077 1.00 6.06 C -ATOM 2628 CG ASP B 99 68.958 25.213 22.867 1.00 6.31 C -ATOM 2629 OD1 ASP B 99 69.539 24.486 22.038 1.00 6.71 O -ATOM 2630 OD2 ASP B 99 68.876 26.455 22.759 1.00 6.85 O -ATOM 2631 N GLU B 100 65.894 23.152 25.564 1.00 5.59 N -ATOM 2632 CA GLU B 100 65.375 22.656 26.832 1.00 5.50 C -ATOM 2633 C GLU B 100 63.857 22.595 26.795 1.00 5.16 C -ATOM 2634 O GLU B 100 63.203 23.415 26.144 1.00 5.04 O -ATOM 2635 CB GLU B 100 65.820 23.579 27.977 1.00 5.86 C -ATOM 2636 CG GLU B 100 67.289 23.980 27.904 1.00 6.69 C -ATOM 2637 CD GLU B 100 67.722 24.909 29.024 1.00 6.91 C -ATOM 2638 OE1 GLU B 100 66.854 25.526 29.681 1.00 6.91 O -ATOM 2639 OE2 GLU B 100 68.945 25.029 29.232 1.00 7.60 O -ATOM 2640 N VAL B 101 63.307 21.605 27.489 1.00 4.81 N -ATOM 2641 CA VAL B 101 61.867 21.427 27.578 1.00 4.76 C -ATOM 2642 C VAL B 101 61.477 21.415 29.051 1.00 4.72 C -ATOM 2643 O VAL B 101 62.043 20.657 29.845 1.00 4.72 O -ATOM 2644 CB VAL B 101 61.421 20.093 26.927 1.00 4.88 C -ATOM 2645 CG1 VAL B 101 59.931 19.862 27.165 1.00 5.17 C -ATOM 2646 CG2 VAL B 101 61.720 20.121 25.433 1.00 4.89 C -ATOM 2647 N ASP B 102 60.531 22.280 29.406 1.00 4.60 N -ATOM 2648 CA ASP B 102 60.018 22.380 30.771 1.00 4.56 C -ATOM 2649 C ASP B 102 58.642 21.710 30.705 1.00 4.63 C -ATOM 2650 O ASP B 102 57.683 22.305 30.207 1.00 4.79 O -ATOM 2651 CB ASP B 102 59.852 23.856 31.175 1.00 4.90 C -ATOM 2652 CG ASP B 102 61.184 24.604 31.320 1.00 4.88 C -ATOM 2653 OD1 ASP B 102 62.209 24.201 30.721 1.00 5.40 O -ATOM 2654 OD2 ASP B 102 61.196 25.632 32.033 1.00 5.68 O -ATOM 2655 N VAL B 103 58.547 20.475 31.191 1.00 4.47 N -ATOM 2656 CA VAL B 103 57.287 19.731 31.146 1.00 4.47 C -ATOM 2657 C VAL B 103 56.530 19.779 32.471 1.00 4.44 C -ATOM 2658 O VAL B 103 57.140 19.811 33.540 1.00 4.33 O -ATOM 2659 CB VAL B 103 57.540 18.246 30.767 1.00 4.53 C -ATOM 2660 CG1 VAL B 103 58.347 17.554 31.860 1.00 5.19 C -ATOM 2661 CG2 VAL B 103 56.217 17.523 30.530 1.00 5.29 C -ATOM 2662 N VAL B 104 55.200 19.785 32.405 1.00 4.40 N -ATOM 2663 CA VAL B 104 54.415 19.815 33.631 1.00 4.47 C -ATOM 2664 C VAL B 104 54.141 18.410 34.152 1.00 4.69 C -ATOM 2665 O VAL B 104 53.605 17.555 33.444 1.00 4.91 O -ATOM 2666 CB VAL B 104 53.059 20.532 33.448 1.00 4.53 C -ATOM 2667 CG1 VAL B 104 52.366 20.661 34.802 1.00 4.59 C -ATOM 2668 CG2 VAL B 104 53.268 21.910 32.833 1.00 4.54 C -ATOM 2669 N PHE B 105 54.532 18.194 35.401 1.00 4.73 N -ATOM 2670 CA PHE B 105 54.353 16.929 36.098 1.00 5.05 C -ATOM 2671 C PHE B 105 52.851 16.706 36.307 1.00 5.20 C -ATOM 2672 O PHE B 105 52.101 17.663 36.487 1.00 4.88 O -ATOM 2673 CB PHE B 105 55.085 17.036 37.444 1.00 5.43 C -ATOM 2674 CG PHE B 105 55.035 15.795 38.287 1.00 6.01 C -ATOM 2675 CD1 PHE B 105 53.966 15.557 39.145 1.00 6.31 C -ATOM 2676 CD2 PHE B 105 56.083 14.880 38.248 1.00 6.29 C -ATOM 2677 CE1 PHE B 105 53.945 14.422 39.958 1.00 6.61 C -ATOM 2678 CE2 PHE B 105 56.074 13.747 39.053 1.00 6.68 C -ATOM 2679 CZ PHE B 105 55.000 13.518 39.912 1.00 6.70 C -ATOM 2680 N PRO B 106 52.386 15.446 36.252 1.00 5.17 N -ATOM 2681 CA PRO B 106 50.953 15.191 36.458 1.00 5.56 C -ATOM 2682 C PRO B 106 50.656 15.276 37.954 1.00 5.95 C -ATOM 2683 O PRO B 106 50.465 14.262 38.638 1.00 6.00 O -ATOM 2684 CB PRO B 106 50.764 13.787 35.878 1.00 5.52 C -ATOM 2685 CG PRO B 106 52.080 13.138 36.125 1.00 5.53 C -ATOM 2686 CD PRO B 106 53.082 14.227 35.802 1.00 5.39 C -ATOM 2687 N TYR B 107 50.627 16.509 38.452 1.00 6.17 N -ATOM 2688 CA TYR B 107 50.408 16.761 39.868 1.00 6.22 C -ATOM 2689 C TYR B 107 49.027 16.390 40.397 1.00 6.65 C -ATOM 2690 O TYR B 107 48.908 15.983 41.554 1.00 6.60 O -ATOM 2691 CB TYR B 107 50.761 18.223 40.205 1.00 6.23 C -ATOM 2692 CG TYR B 107 49.878 19.271 39.572 1.00 6.18 C -ATOM 2693 CD1 TYR B 107 48.692 19.672 40.184 1.00 6.09 C -ATOM 2694 CD2 TYR B 107 50.238 19.878 38.370 1.00 6.08 C -ATOM 2695 CE1 TYR B 107 47.887 20.655 39.617 1.00 6.27 C -ATOM 2696 CE2 TYR B 107 49.442 20.861 37.794 1.00 6.22 C -ATOM 2697 CZ TYR B 107 48.270 21.247 38.423 1.00 6.16 C -ATOM 2698 OH TYR B 107 47.488 22.234 37.870 1.00 6.41 O -ATOM 2699 N ARG B 108 47.987 16.514 39.578 1.00 6.90 N -ATOM 2700 CA ARG B 108 46.657 16.141 40.048 1.00 7.46 C -ATOM 2701 C ARG B 108 46.599 14.631 40.251 1.00 7.21 C -ATOM 2702 O ARG B 108 45.945 14.146 41.170 1.00 7.12 O -ATOM 2703 CB ARG B 108 45.573 16.592 39.065 1.00 8.54 C -ATOM 2704 CG ARG B 108 45.314 18.095 39.099 1.00 10.26 C -ATOM 2705 CD ARG B 108 44.067 18.456 38.307 1.00 12.01 C -ATOM 2706 NE ARG B 108 44.148 17.962 36.936 1.00 13.75 N -ATOM 2707 CZ ARG B 108 45.040 18.381 36.046 1.00 14.35 C -ATOM 2708 NH1 ARG B 108 45.924 19.311 36.382 1.00 15.40 N -ATOM 2709 NH2 ARG B 108 45.061 17.859 34.829 1.00 14.52 N -ATOM 2710 N ALA B 109 47.298 13.884 39.402 1.00 6.95 N -ATOM 2711 CA ALA B 109 47.321 12.433 39.540 1.00 6.87 C -ATOM 2712 C ALA B 109 48.004 12.066 40.858 1.00 6.93 C -ATOM 2713 O ALA B 109 47.559 11.162 41.564 1.00 6.86 O -ATOM 2714 CB ALA B 109 48.060 11.805 38.366 1.00 6.83 C -ATOM 2715 N LEU B 110 49.083 12.774 41.191 1.00 6.96 N -ATOM 2716 CA LEU B 110 49.806 12.524 42.435 1.00 7.22 C -ATOM 2717 C LEU B 110 48.914 12.839 43.632 1.00 7.58 C -ATOM 2718 O LEU B 110 48.926 12.125 44.634 1.00 7.64 O -ATOM 2719 CB LEU B 110 51.072 13.383 42.504 1.00 7.18 C -ATOM 2720 CG LEU B 110 51.850 13.281 43.819 1.00 7.32 C -ATOM 2721 CD1 LEU B 110 52.351 11.859 44.008 1.00 7.77 C -ATOM 2722 CD2 LEU B 110 53.009 14.256 43.811 1.00 7.43 C -ATOM 2723 N MET B 111 48.152 13.921 43.528 1.00 7.97 N -ATOM 2724 CA MET B 111 47.245 14.314 44.598 1.00 8.64 C -ATOM 2725 C MET B 111 46.175 13.240 44.762 1.00 8.72 C -ATOM 2726 O MET B 111 45.606 13.074 45.845 1.00 8.93 O -ATOM 2727 CB MET B 111 46.618 15.672 44.271 1.00 8.86 C -ATOM 2728 CG MET B 111 47.631 16.814 44.315 1.00 9.80 C -ATOM 2729 SD MET B 111 47.081 18.371 43.588 1.00 10.61 S -ATOM 2730 CE MET B 111 46.207 19.087 44.964 1.00 11.01 C -ATOM 2731 N ALA B 112 45.923 12.497 43.686 1.00 8.91 N -ATOM 2732 CA ALA B 112 44.937 11.422 43.698 1.00 9.09 C -ATOM 2733 C ALA B 112 45.584 10.099 44.114 1.00 9.15 C -ATOM 2734 O ALA B 112 44.971 9.035 44.009 1.00 9.89 O -ATOM 2735 CB ALA B 112 44.288 11.289 42.319 1.00 9.06 C -ATOM 2736 N GLY B 113 46.829 10.170 44.574 1.00 9.01 N -ATOM 2737 CA GLY B 113 47.518 8.977 45.035 1.00 8.68 C -ATOM 2738 C GLY B 113 48.262 8.156 44.002 1.00 8.51 C -ATOM 2739 O GLY B 113 48.716 7.057 44.308 1.00 8.79 O -ATOM 2740 N ASN B 114 48.399 8.678 42.787 1.00 8.19 N -ATOM 2741 CA ASN B 114 49.105 7.956 41.729 1.00 7.91 C -ATOM 2742 C ASN B 114 50.505 8.534 41.533 1.00 8.00 C -ATOM 2743 O ASN B 114 50.667 9.600 40.938 1.00 8.05 O -ATOM 2744 CB ASN B 114 48.325 8.056 40.417 1.00 7.68 C -ATOM 2745 CG ASN B 114 48.912 7.191 39.317 1.00 7.43 C -ATOM 2746 OD1 ASN B 114 50.060 6.759 39.392 1.00 7.51 O -ATOM 2747 ND2 ASN B 114 48.128 6.954 38.277 1.00 7.65 N -ATOM 2748 N GLU B 115 51.516 7.832 42.032 1.00 8.14 N -ATOM 2749 CA GLU B 115 52.893 8.295 41.896 1.00 8.45 C -ATOM 2750 C GLU B 115 53.564 7.725 40.652 1.00 8.25 C -ATOM 2751 O GLU B 115 54.501 8.316 40.115 1.00 8.21 O -ATOM 2752 CB GLU B 115 53.721 7.899 43.122 1.00 9.36 C -ATOM 2753 CG GLU B 115 53.122 8.311 44.455 1.00 10.68 C -ATOM 2754 CD GLU B 115 54.061 8.044 45.617 1.00 11.58 C -ATOM 2755 OE1 GLU B 115 54.965 7.194 45.472 1.00 12.42 O -ATOM 2756 OE2 GLU B 115 53.885 8.677 46.678 1.00 12.57 O -ATOM 2757 N GLN B 116 53.074 6.581 40.187 1.00 7.81 N -ATOM 2758 CA GLN B 116 53.662 5.923 39.028 1.00 7.77 C -ATOM 2759 C GLN B 116 53.531 6.674 37.713 1.00 7.28 C -ATOM 2760 O GLN B 116 54.484 6.730 36.941 1.00 7.35 O -ATOM 2761 CB GLN B 116 53.070 4.523 38.854 1.00 8.03 C -ATOM 2762 CG GLN B 116 53.883 3.644 37.919 1.00 9.23 C -ATOM 2763 CD GLN B 116 55.291 3.419 38.434 1.00 9.81 C -ATOM 2764 OE1 GLN B 116 55.479 2.966 39.562 1.00 10.64 O -ATOM 2765 NE2 GLN B 116 56.288 3.735 37.613 1.00 10.31 N -ATOM 2766 N VAL B 117 52.365 7.248 37.444 1.00 7.05 N -ATOM 2767 CA VAL B 117 52.191 7.954 36.185 1.00 6.82 C -ATOM 2768 C VAL B 117 53.167 9.127 36.070 1.00 6.69 C -ATOM 2769 O VAL B 117 53.704 9.383 34.994 1.00 6.54 O -ATOM 2770 CB VAL B 117 50.720 8.428 35.995 1.00 6.79 C -ATOM 2771 CG1 VAL B 117 50.360 9.498 37.016 1.00 6.96 C -ATOM 2772 CG2 VAL B 117 50.519 8.933 34.571 1.00 7.12 C -ATOM 2773 N GLY B 118 53.417 9.821 37.179 1.00 6.55 N -ATOM 2774 CA GLY B 118 54.349 10.938 37.152 1.00 6.32 C -ATOM 2775 C GLY B 118 55.764 10.475 36.855 1.00 6.22 C -ATOM 2776 O GLY B 118 56.496 11.119 36.101 1.00 6.09 O -ATOM 2777 N PHE B 119 56.160 9.355 37.451 1.00 6.22 N -ATOM 2778 CA PHE B 119 57.490 8.816 37.216 1.00 6.12 C -ATOM 2779 C PHE B 119 57.618 8.441 35.741 1.00 6.07 C -ATOM 2780 O PHE B 119 58.575 8.829 35.074 1.00 5.68 O -ATOM 2781 CB PHE B 119 57.731 7.586 38.102 1.00 6.31 C -ATOM 2782 CG PHE B 119 59.065 6.924 37.878 1.00 6.47 C -ATOM 2783 CD1 PHE B 119 59.242 6.012 36.838 1.00 6.74 C -ATOM 2784 CD2 PHE B 119 60.153 7.228 38.690 1.00 6.78 C -ATOM 2785 CE1 PHE B 119 60.482 5.414 36.612 1.00 6.97 C -ATOM 2786 CE2 PHE B 119 61.398 6.635 38.471 1.00 6.95 C -ATOM 2787 CZ PHE B 119 61.561 5.727 37.429 1.00 7.02 C -ATOM 2788 N ASP B 120 56.643 7.699 35.228 1.00 6.07 N -ATOM 2789 CA ASP B 120 56.681 7.278 33.832 1.00 6.46 C -ATOM 2790 C ASP B 120 56.624 8.436 32.842 1.00 6.17 C -ATOM 2791 O ASP B 120 57.282 8.395 31.804 1.00 6.09 O -ATOM 2792 CB ASP B 120 55.540 6.300 33.535 1.00 7.21 C -ATOM 2793 CG ASP B 120 55.743 4.942 34.186 1.00 8.02 C -ATOM 2794 OD1 ASP B 120 56.781 4.733 34.845 1.00 9.08 O -ATOM 2795 OD2 ASP B 120 54.854 4.078 34.028 1.00 9.34 O -ATOM 2796 N LEU B 121 55.839 9.464 33.153 1.00 6.05 N -ATOM 2797 CA LEU B 121 55.725 10.602 32.245 1.00 6.03 C -ATOM 2798 C LEU B 121 57.047 11.354 32.151 1.00 5.95 C -ATOM 2799 O LEU B 121 57.512 11.669 31.059 1.00 5.96 O -ATOM 2800 CB LEU B 121 54.602 11.539 32.703 1.00 6.12 C -ATOM 2801 CG LEU B 121 54.149 12.612 31.704 1.00 6.08 C -ATOM 2802 CD1 LEU B 121 52.688 12.971 31.961 1.00 6.48 C -ATOM 2803 CD2 LEU B 121 55.035 13.839 31.811 1.00 6.24 C -ATOM 2804 N VAL B 122 57.657 11.635 33.297 1.00 5.88 N -ATOM 2805 CA VAL B 122 58.932 12.336 33.305 1.00 6.12 C -ATOM 2806 C VAL B 122 60.010 11.488 32.631 1.00 6.35 C -ATOM 2807 O VAL B 122 60.781 11.988 31.812 1.00 6.72 O -ATOM 2808 CB VAL B 122 59.380 12.672 34.750 1.00 5.75 C -ATOM 2809 CG1 VAL B 122 60.816 13.183 34.749 1.00 5.77 C -ATOM 2810 CG2 VAL B 122 58.456 13.725 35.345 1.00 6.08 C -ATOM 2811 N LYS B 123 60.055 10.202 32.962 1.00 6.65 N -ATOM 2812 CA LYS B 123 61.054 9.316 32.384 1.00 7.07 C -ATOM 2813 C LYS B 123 60.971 9.266 30.860 1.00 6.91 C -ATOM 2814 O LYS B 123 61.993 9.329 30.177 1.00 6.96 O -ATOM 2815 CB LYS B 123 60.905 7.907 32.965 1.00 7.76 C -ATOM 2816 CG LYS B 123 61.962 6.922 32.482 1.00 9.00 C -ATOM 2817 CD LYS B 123 61.819 5.583 33.187 1.00 10.41 C -ATOM 2818 CE LYS B 123 62.845 4.578 32.692 1.00 11.53 C -ATOM 2819 NZ LYS B 123 62.672 3.270 33.382 1.00 12.91 N -ATOM 2820 N ALA B 124 59.757 9.156 30.331 1.00 6.49 N -ATOM 2821 CA ALA B 124 59.564 9.094 28.886 1.00 6.51 C -ATOM 2822 C ALA B 124 60.065 10.370 28.220 1.00 6.47 C -ATOM 2823 O ALA B 124 60.753 10.322 27.200 1.00 6.61 O -ATOM 2824 CB ALA B 124 58.090 8.877 28.565 1.00 6.70 C -ATOM 2825 N CYS B 125 59.720 11.515 28.800 1.00 6.43 N -ATOM 2826 CA CYS B 125 60.145 12.786 28.236 1.00 6.65 C -ATOM 2827 C CYS B 125 61.651 12.976 28.368 1.00 6.66 C -ATOM 2828 O CYS B 125 62.290 13.517 27.466 1.00 6.78 O -ATOM 2829 CB CYS B 125 59.387 13.940 28.899 1.00 6.69 C -ATOM 2830 SG CYS B 125 57.607 13.964 28.505 1.00 7.25 S -ATOM 2831 N LYS B 126 62.222 12.528 29.484 1.00 6.81 N -ATOM 2832 CA LYS B 126 63.664 12.646 29.687 1.00 7.11 C -ATOM 2833 C LYS B 126 64.409 11.800 28.660 1.00 7.48 C -ATOM 2834 O LYS B 126 65.418 12.230 28.116 1.00 7.49 O -ATOM 2835 CB LYS B 126 64.057 12.202 31.103 1.00 6.96 C -ATOM 2836 CG LYS B 126 65.568 12.068 31.331 1.00 7.16 C -ATOM 2837 CD LYS B 126 66.307 13.389 31.132 1.00 7.37 C -ATOM 2838 CE LYS B 126 67.814 13.240 31.340 1.00 7.66 C -ATOM 2839 NZ LYS B 126 68.187 12.915 32.748 1.00 8.38 N -ATOM 2840 N GLU B 127 63.910 10.597 28.397 1.00 7.87 N -ATOM 2841 CA GLU B 127 64.552 9.715 27.427 1.00 8.45 C -ATOM 2842 C GLU B 127 64.610 10.379 26.054 1.00 8.04 C -ATOM 2843 O GLU B 127 65.644 10.351 25.380 1.00 8.17 O -ATOM 2844 CB GLU B 127 63.801 8.382 27.346 1.00 9.67 C -ATOM 2845 CG GLU B 127 64.079 7.443 28.518 1.00 11.98 C -ATOM 2846 CD GLU B 127 63.364 6.111 28.380 1.00 13.26 C -ATOM 2847 OE1 GLU B 127 63.395 5.531 27.272 1.00 14.57 O -ATOM 2848 OE2 GLU B 127 62.784 5.636 29.380 1.00 14.90 O -ATOM 2849 N ALA B 128 63.502 10.991 25.652 1.00 7.55 N -ATOM 2850 CA ALA B 128 63.427 11.674 24.368 1.00 7.23 C -ATOM 2851 C ALA B 128 64.389 12.866 24.327 1.00 7.13 C -ATOM 2852 O ALA B 128 65.139 13.042 23.363 1.00 6.99 O -ATOM 2853 CB ALA B 128 61.999 12.143 24.124 1.00 7.26 C -ATOM 2854 N CYS B 129 64.370 13.683 25.373 1.00 6.99 N -ATOM 2855 CA CYS B 129 65.236 14.852 25.431 1.00 7.02 C -ATOM 2856 C CYS B 129 66.717 14.488 25.475 1.00 7.24 C -ATOM 2857 O CYS B 129 67.525 15.065 24.746 1.00 7.19 O -ATOM 2858 CB CYS B 129 64.879 15.713 26.645 1.00 6.60 C -ATOM 2859 SG CYS B 129 63.292 16.569 26.506 1.00 6.40 S -ATOM 2860 N ALA B 130 67.073 13.538 26.334 1.00 7.62 N -ATOM 2861 CA ALA B 130 68.465 13.119 26.459 1.00 8.04 C -ATOM 2862 C ALA B 130 69.022 12.643 25.121 1.00 8.23 C -ATOM 2863 O ALA B 130 70.153 12.970 24.764 1.00 8.38 O -ATOM 2864 CB ALA B 130 68.588 12.019 27.497 1.00 8.29 C -ATOM 2865 N ALA B 131 68.226 11.878 24.381 1.00 8.40 N -ATOM 2866 CA ALA B 131 68.659 11.363 23.084 1.00 8.66 C -ATOM 2867 C ALA B 131 68.916 12.487 22.083 1.00 8.90 C -ATOM 2868 O ALA B 131 69.661 12.306 21.116 1.00 9.09 O -ATOM 2869 CB ALA B 131 67.616 10.401 22.529 1.00 8.86 C -ATOM 2870 N ALA B 132 68.307 13.645 22.318 1.00 8.78 N -ATOM 2871 CA ALA B 132 68.470 14.792 21.430 1.00 8.79 C -ATOM 2872 C ALA B 132 69.355 15.880 22.032 1.00 8.89 C -ATOM 2873 O ALA B 132 69.431 16.989 21.501 1.00 8.67 O -ATOM 2874 CB ALA B 132 67.099 15.375 21.073 1.00 8.64 C -ATOM 2875 N ASN B 133 70.021 15.559 23.137 1.00 9.02 N -ATOM 2876 CA ASN B 133 70.896 16.509 23.822 1.00 9.47 C -ATOM 2877 C ASN B 133 70.119 17.747 24.248 1.00 9.05 C -ATOM 2878 O ASN B 133 70.590 18.878 24.118 1.00 9.31 O -ATOM 2879 CB ASN B 133 72.064 16.902 22.917 1.00 10.75 C -ATOM 2880 CG ASN B 133 72.915 15.713 22.524 1.00 12.01 C -ATOM 2881 OD1 ASN B 133 73.472 15.027 23.380 1.00 13.33 O -ATOM 2882 ND2 ASN B 133 73.016 15.460 21.225 1.00 13.03 N -ATOM 2883 N VAL B 134 68.918 17.504 24.758 1.00 8.08 N -ATOM 2884 CA VAL B 134 68.018 18.547 25.231 1.00 7.65 C -ATOM 2885 C VAL B 134 67.810 18.328 26.726 1.00 7.32 C -ATOM 2886 O VAL B 134 67.595 17.200 27.160 1.00 7.21 O -ATOM 2887 CB VAL B 134 66.649 18.449 24.504 1.00 7.43 C -ATOM 2888 CG1 VAL B 134 65.617 19.354 25.172 1.00 7.20 C -ATOM 2889 CG2 VAL B 134 66.816 18.829 23.039 1.00 7.66 C -ATOM 2890 N LEU B 135 67.890 19.399 27.510 1.00 6.97 N -ATOM 2891 CA LEU B 135 67.685 19.290 28.954 1.00 6.95 C -ATOM 2892 C LEU B 135 66.196 19.299 29.287 1.00 6.58 C -ATOM 2893 O LEU B 135 65.401 19.956 28.611 1.00 6.72 O -ATOM 2894 CB LEU B 135 68.377 20.443 29.692 1.00 7.87 C -ATOM 2895 CG LEU B 135 69.907 20.457 29.717 1.00 8.67 C -ATOM 2896 CD1 LEU B 135 70.386 21.651 30.524 1.00 9.16 C -ATOM 2897 CD2 LEU B 135 70.429 19.165 30.328 1.00 9.30 C -ATOM 2898 N LEU B 136 65.827 18.575 30.340 1.00 6.06 N -ATOM 2899 CA LEU B 136 64.435 18.502 30.762 1.00 5.69 C -ATOM 2900 C LEU B 136 64.204 19.091 32.148 1.00 5.40 C -ATOM 2901 O LEU B 136 64.817 18.655 33.127 1.00 5.65 O -ATOM 2902 CB LEU B 136 63.950 17.049 30.778 1.00 5.76 C -ATOM 2903 CG LEU B 136 62.481 16.887 31.188 1.00 5.52 C -ATOM 2904 CD1 LEU B 136 61.590 17.269 30.013 1.00 5.61 C -ATOM 2905 CD2 LEU B 136 62.204 15.452 31.619 1.00 5.50 C -ATOM 2906 N LYS B 137 63.333 20.091 32.232 1.00 4.98 N -ATOM 2907 CA LYS B 137 62.983 20.679 33.522 1.00 4.87 C -ATOM 2908 C LYS B 137 61.583 20.147 33.804 1.00 4.76 C -ATOM 2909 O LYS B 137 60.811 19.923 32.874 1.00 4.92 O -ATOM 2910 CB LYS B 137 62.932 22.213 33.467 1.00 5.03 C -ATOM 2911 CG LYS B 137 64.179 22.901 32.917 1.00 4.99 C -ATOM 2912 CD LYS B 137 64.234 24.356 33.376 1.00 5.90 C -ATOM 2913 CE LYS B 137 65.218 25.178 32.557 1.00 6.10 C -ATOM 2914 NZ LYS B 137 64.642 25.590 31.238 1.00 6.46 N -ATOM 2915 N VAL B 138 61.260 19.928 35.073 1.00 4.52 N -ATOM 2916 CA VAL B 138 59.940 19.431 35.435 1.00 4.55 C -ATOM 2917 C VAL B 138 59.239 20.400 36.378 1.00 4.36 C -ATOM 2918 O VAL B 138 59.747 20.716 37.457 1.00 4.38 O -ATOM 2919 CB VAL B 138 60.022 18.039 36.101 1.00 4.53 C -ATOM 2920 CG1 VAL B 138 58.617 17.540 36.434 1.00 4.77 C -ATOM 2921 CG2 VAL B 138 60.728 17.059 35.169 1.00 4.81 C -ATOM 2922 N ILE B 139 58.071 20.870 35.944 1.00 4.47 N -ATOM 2923 CA ILE B 139 57.239 21.806 36.696 1.00 4.58 C -ATOM 2924 C ILE B 139 56.316 20.988 37.596 1.00 4.76 C -ATOM 2925 O ILE B 139 55.496 20.221 37.100 1.00 5.09 O -ATOM 2926 CB ILE B 139 56.363 22.646 35.733 1.00 4.49 C -ATOM 2927 CG1 ILE B 139 57.248 23.390 34.728 1.00 4.73 C -ATOM 2928 CG2 ILE B 139 55.500 23.627 36.528 1.00 5.11 C -ATOM 2929 CD1 ILE B 139 56.480 23.925 33.542 1.00 5.16 C -ATOM 2930 N ILE B 140 56.425 21.143 38.911 1.00 4.88 N -ATOM 2931 CA ILE B 140 55.557 20.359 39.786 1.00 5.17 C -ATOM 2932 C ILE B 140 54.297 21.088 40.256 1.00 5.12 C -ATOM 2933 O ILE B 140 53.380 20.460 40.785 1.00 5.35 O -ATOM 2934 CB ILE B 140 56.329 19.813 41.017 1.00 5.31 C -ATOM 2935 CG1 ILE B 140 56.839 20.962 41.887 1.00 5.42 C -ATOM 2936 CG2 ILE B 140 57.488 18.940 40.550 1.00 5.66 C -ATOM 2937 CD1 ILE B 140 57.430 20.494 43.212 1.00 6.00 C -ATOM 2938 N GLU B 141 54.249 22.402 40.035 1.00 5.07 N -ATOM 2939 CA GLU B 141 53.116 23.250 40.423 1.00 5.27 C -ATOM 2940 C GLU B 141 52.877 23.260 41.933 1.00 5.49 C -ATOM 2941 O GLU B 141 51.843 22.804 42.435 1.00 5.49 O -ATOM 2942 CB GLU B 141 51.837 22.820 39.697 1.00 5.25 C -ATOM 2943 CG GLU B 141 50.797 23.934 39.585 1.00 5.20 C -ATOM 2944 CD GLU B 141 51.207 25.021 38.600 1.00 5.10 C -ATOM 2945 OE1 GLU B 141 52.201 25.737 38.852 1.00 4.77 O -ATOM 2946 OE2 GLU B 141 50.535 25.155 37.555 1.00 5.27 O -ATOM 2947 N THR B 142 53.851 23.808 42.647 1.00 5.56 N -ATOM 2948 CA THR B 142 53.805 23.905 44.098 1.00 5.90 C -ATOM 2949 C THR B 142 52.540 24.576 44.628 1.00 6.13 C -ATOM 2950 O THR B 142 52.040 24.208 45.690 1.00 5.91 O -ATOM 2951 CB THR B 142 55.039 24.663 44.611 1.00 5.99 C -ATOM 2952 OG1 THR B 142 55.140 25.922 43.933 1.00 6.21 O -ATOM 2953 CG2 THR B 142 56.302 23.852 44.341 1.00 5.92 C -ATOM 2954 N GLY B 143 52.033 25.559 43.889 1.00 6.14 N -ATOM 2955 CA GLY B 143 50.835 26.268 44.303 1.00 6.58 C -ATOM 2956 C GLY B 143 49.616 25.373 44.422 1.00 6.99 C -ATOM 2957 O GLY B 143 48.775 25.577 45.295 1.00 7.58 O -ATOM 2958 N GLU B 144 49.510 24.380 43.546 1.00 7.11 N -ATOM 2959 CA GLU B 144 48.375 23.462 43.590 1.00 7.52 C -ATOM 2960 C GLU B 144 48.634 22.299 44.548 1.00 7.67 C -ATOM 2961 O GLU B 144 47.719 21.835 45.226 1.00 7.43 O -ATOM 2962 CB GLU B 144 48.055 22.948 42.183 1.00 7.93 C -ATOM 2963 CG GLU B 144 47.492 24.022 41.256 1.00 8.45 C -ATOM 2964 CD GLU B 144 46.207 24.631 41.786 1.00 9.22 C -ATOM 2965 OE1 GLU B 144 45.214 23.887 41.932 1.00 10.19 O -ATOM 2966 OE2 GLU B 144 46.185 25.852 42.058 1.00 9.28 O -ATOM 2967 N LEU B 145 49.877 21.830 44.609 1.00 7.87 N -ATOM 2968 CA LEU B 145 50.220 20.739 45.520 1.00 8.32 C -ATOM 2969 C LEU B 145 49.987 21.217 46.953 1.00 8.86 C -ATOM 2970 O LEU B 145 49.435 20.486 47.779 1.00 8.90 O -ATOM 2971 CB LEU B 145 51.681 20.316 45.327 1.00 8.05 C -ATOM 2972 CG LEU B 145 51.987 19.565 44.026 1.00 7.73 C -ATOM 2973 CD1 LEU B 145 53.482 19.304 43.921 1.00 8.01 C -ATOM 2974 CD2 LEU B 145 51.212 18.256 44.005 1.00 7.83 C -ATOM 2975 N LYS B 146 50.425 22.448 47.223 1.00 9.58 N -ATOM 2976 CA LYS B 146 50.257 23.115 48.514 1.00 10.50 C -ATOM 2977 C LYS B 146 50.991 22.535 49.723 1.00 10.65 C -ATOM 2978 O LYS B 146 51.777 23.232 50.367 1.00 10.78 O -ATOM 2979 CB LYS B 146 48.765 23.222 48.844 1.00 11.19 C -ATOM 2980 CG LYS B 146 47.924 23.811 47.724 1.00 12.68 C -ATOM 2981 CD LYS B 146 46.456 23.889 48.114 1.00 13.43 C -ATOM 2982 CE LYS B 146 45.560 24.089 46.898 1.00 14.39 C -ATOM 2983 NZ LYS B 146 45.512 22.876 46.026 1.00 14.55 N -ATOM 2984 N ASP B 147 50.726 21.271 50.038 1.00 10.88 N -ATOM 2985 CA ASP B 147 51.341 20.623 51.193 1.00 11.25 C -ATOM 2986 C ASP B 147 52.817 20.301 51.000 1.00 10.82 C -ATOM 2987 O ASP B 147 53.222 19.819 49.943 1.00 10.43 O -ATOM 2988 CB ASP B 147 50.579 19.342 51.531 1.00 12.41 C -ATOM 2989 CG ASP B 147 49.097 19.585 51.733 1.00 13.68 C -ATOM 2990 OD1 ASP B 147 48.746 20.503 52.502 1.00 14.67 O -ATOM 2991 OD2 ASP B 147 48.284 18.854 51.126 1.00 15.08 O -ATOM 2992 N GLU B 148 53.617 20.553 52.034 1.00 10.54 N -ATOM 2993 CA GLU B 148 55.050 20.294 51.967 1.00 10.46 C -ATOM 2994 C GLU B 148 55.356 18.855 51.561 1.00 10.11 C -ATOM 2995 O GLU B 148 56.237 18.616 50.738 1.00 9.85 O -ATOM 2996 CB GLU B 148 55.721 20.599 53.311 1.00 11.27 C -ATOM 2997 CG GLU B 148 57.242 20.596 53.231 1.00 12.49 C -ATOM 2998 CD GLU B 148 57.914 20.870 54.562 1.00 13.19 C -ATOM 2999 OE1 GLU B 148 57.294 21.527 55.425 1.00 14.20 O -ATOM 3000 OE2 GLU B 148 59.074 20.441 54.734 1.00 14.11 O -ATOM 3001 N ALA B 149 54.630 17.901 52.136 1.00 9.70 N -ATOM 3002 CA ALA B 149 54.846 16.495 51.816 1.00 9.29 C -ATOM 3003 C ALA B 149 54.652 16.228 50.328 1.00 8.87 C -ATOM 3004 O ALA B 149 55.444 15.511 49.716 1.00 8.82 O -ATOM 3005 CB ALA B 149 53.907 15.621 52.626 1.00 9.54 C -ATOM 3006 N LEU B 150 53.601 16.797 49.746 1.00 8.52 N -ATOM 3007 CA LEU B 150 53.338 16.601 48.325 1.00 8.30 C -ATOM 3008 C LEU B 150 54.380 17.283 47.448 1.00 7.97 C -ATOM 3009 O LEU B 150 54.762 16.747 46.412 1.00 7.62 O -ATOM 3010 CB LEU B 150 51.937 17.101 47.964 1.00 8.79 C -ATOM 3011 CG LEU B 150 50.799 16.136 48.311 1.00 9.12 C -ATOM 3012 CD1 LEU B 150 49.458 16.816 48.104 1.00 9.43 C -ATOM 3013 CD2 LEU B 150 50.911 14.884 47.442 1.00 9.67 C -ATOM 3014 N ILE B 151 54.838 18.461 47.859 1.00 7.66 N -ATOM 3015 CA ILE B 151 55.847 19.179 47.093 1.00 7.57 C -ATOM 3016 C ILE B 151 57.137 18.360 47.098 1.00 7.49 C -ATOM 3017 O ILE B 151 57.801 18.221 46.068 1.00 7.40 O -ATOM 3018 CB ILE B 151 56.095 20.587 47.685 1.00 7.60 C -ATOM 3019 CG1 ILE B 151 54.868 21.470 47.429 1.00 7.60 C -ATOM 3020 CG2 ILE B 151 57.345 21.204 47.073 1.00 7.50 C -ATOM 3021 CD1 ILE B 151 54.939 22.848 48.059 1.00 7.99 C -ATOM 3022 N ARG B 152 57.478 17.796 48.253 1.00 7.52 N -ATOM 3023 CA ARG B 152 58.682 16.979 48.360 1.00 7.82 C -ATOM 3024 C ARG B 152 58.549 15.709 47.520 1.00 7.67 C -ATOM 3025 O ARG B 152 59.481 15.325 46.814 1.00 7.40 O -ATOM 3026 CB ARG B 152 58.958 16.602 49.823 1.00 8.77 C -ATOM 3027 CG ARG B 152 59.348 17.773 50.719 1.00 9.93 C -ATOM 3028 CD ARG B 152 59.758 17.290 52.110 1.00 11.16 C -ATOM 3029 NE ARG B 152 60.967 16.472 52.065 1.00 12.91 N -ATOM 3030 CZ ARG B 152 62.202 16.961 51.994 1.00 13.35 C -ATOM 3031 NH1 ARG B 152 62.401 18.274 51.971 1.00 14.11 N -ATOM 3032 NH2 ARG B 152 63.237 16.134 51.923 1.00 14.09 N -ATOM 3033 N LYS B 153 57.387 15.064 47.589 1.00 7.50 N -ATOM 3034 CA LYS B 153 57.158 13.831 46.838 1.00 7.47 C -ATOM 3035 C LYS B 153 57.247 14.048 45.325 1.00 7.15 C -ATOM 3036 O LYS B 153 57.876 13.264 44.615 1.00 6.99 O -ATOM 3037 CB LYS B 153 55.795 13.234 47.211 1.00 8.17 C -ATOM 3038 CG LYS B 153 55.472 11.917 46.514 1.00 8.99 C -ATOM 3039 CD LYS B 153 56.535 10.854 46.756 1.00 9.91 C -ATOM 3040 CE LYS B 153 56.635 10.474 48.225 1.00 10.45 C -ATOM 3041 NZ LYS B 153 57.674 9.431 48.436 1.00 11.18 N -ATOM 3042 N ALA B 154 56.622 15.110 44.832 1.00 6.70 N -ATOM 3043 CA ALA B 154 56.664 15.407 43.405 1.00 6.53 C -ATOM 3044 C ALA B 154 58.105 15.689 42.976 1.00 6.41 C -ATOM 3045 O ALA B 154 58.531 15.278 41.900 1.00 6.27 O -ATOM 3046 CB ALA B 154 55.777 16.604 43.094 1.00 6.36 C -ATOM 3047 N SER B 155 58.851 16.396 43.820 1.00 6.47 N -ATOM 3048 CA SER B 155 60.246 16.705 43.522 1.00 6.45 C -ATOM 3049 C SER B 155 61.059 15.412 43.478 1.00 6.69 C -ATOM 3050 O SER B 155 61.830 15.177 42.545 1.00 6.50 O -ATOM 3051 CB SER B 155 60.824 17.643 44.588 1.00 6.41 C -ATOM 3052 OG SER B 155 60.133 18.883 44.611 1.00 6.55 O -ATOM 3053 N GLU B 156 60.867 14.571 44.489 1.00 6.95 N -ATOM 3054 CA GLU B 156 61.571 13.296 44.585 1.00 7.51 C -ATOM 3055 C GLU B 156 61.319 12.399 43.373 1.00 7.16 C -ATOM 3056 O GLU B 156 62.259 11.866 42.781 1.00 7.07 O -ATOM 3057 CB GLU B 156 61.149 12.576 45.869 1.00 8.46 C -ATOM 3058 CG GLU B 156 61.584 11.121 45.955 1.00 10.75 C -ATOM 3059 CD GLU B 156 61.139 10.458 47.247 1.00 11.83 C -ATOM 3060 OE1 GLU B 156 60.027 10.768 47.725 1.00 12.67 O -ATOM 3061 OE2 GLU B 156 61.894 9.615 47.777 1.00 13.23 O -ATOM 3062 N ILE B 157 60.051 12.239 43.008 1.00 6.89 N -ATOM 3063 CA ILE B 157 59.687 11.409 41.866 1.00 6.76 C -ATOM 3064 C ILE B 157 60.320 11.949 40.586 1.00 6.72 C -ATOM 3065 O ILE B 157 60.896 11.195 39.803 1.00 6.75 O -ATOM 3066 CB ILE B 157 58.151 11.350 41.694 1.00 6.84 C -ATOM 3067 CG1 ILE B 157 57.521 10.648 42.901 1.00 7.15 C -ATOM 3068 CG2 ILE B 157 57.792 10.597 40.419 1.00 6.84 C -ATOM 3069 CD1 ILE B 157 56.013 10.696 42.906 1.00 7.33 C -ATOM 3070 N SER B 158 60.221 13.259 40.383 1.00 6.63 N -ATOM 3071 CA SER B 158 60.787 13.888 39.194 1.00 6.44 C -ATOM 3072 C SER B 158 62.287 13.633 39.101 1.00 6.54 C -ATOM 3073 O SER B 158 62.809 13.317 38.030 1.00 6.39 O -ATOM 3074 CB SER B 158 60.515 15.395 39.216 1.00 6.48 C -ATOM 3075 OG SER B 158 59.122 15.656 39.179 1.00 6.72 O -ATOM 3076 N ILE B 159 62.977 13.776 40.227 1.00 6.59 N -ATOM 3077 CA ILE B 159 64.415 13.551 40.273 1.00 6.89 C -ATOM 3078 C ILE B 159 64.760 12.097 39.954 1.00 7.14 C -ATOM 3079 O ILE B 159 65.646 11.829 39.143 1.00 7.30 O -ATOM 3080 CB ILE B 159 64.972 13.958 41.656 1.00 6.74 C -ATOM 3081 CG1 ILE B 159 64.943 15.484 41.773 1.00 6.99 C -ATOM 3082 CG2 ILE B 159 66.389 13.434 41.841 1.00 6.92 C -ATOM 3083 CD1 ILE B 159 65.224 16.013 43.168 1.00 7.18 C -ATOM 3084 N LYS B 160 64.055 11.157 40.578 1.00 7.49 N -ATOM 3085 CA LYS B 160 64.307 9.743 40.321 1.00 7.87 C -ATOM 3086 C LYS B 160 64.042 9.387 38.859 1.00 7.80 C -ATOM 3087 O LYS B 160 64.704 8.512 38.296 1.00 7.95 O -ATOM 3088 CB LYS B 160 63.430 8.872 41.225 1.00 8.51 C -ATOM 3089 CG LYS B 160 63.803 8.938 42.698 1.00 9.50 C -ATOM 3090 CD LYS B 160 62.890 8.054 43.528 1.00 10.33 C -ATOM 3091 CE LYS B 160 63.298 8.039 44.990 1.00 10.99 C -ATOM 3092 NZ LYS B 160 62.322 7.274 45.811 1.00 11.71 N -ATOM 3093 N ALA B 161 63.083 10.076 38.246 1.00 7.50 N -ATOM 3094 CA ALA B 161 62.724 9.824 36.857 1.00 7.40 C -ATOM 3095 C ALA B 161 63.694 10.448 35.855 1.00 7.31 C -ATOM 3096 O ALA B 161 63.607 10.178 34.655 1.00 7.72 O -ATOM 3097 CB ALA B 161 61.307 10.307 36.595 1.00 7.23 C -ATOM 3098 N GLY B 162 64.605 11.288 36.339 1.00 7.17 N -ATOM 3099 CA GLY B 162 65.588 11.886 35.449 1.00 6.91 C -ATOM 3100 C GLY B 162 65.544 13.383 35.193 1.00 6.64 C -ATOM 3101 O GLY B 162 66.219 13.870 34.288 1.00 6.85 O -ATOM 3102 N ALA B 163 64.766 14.124 35.975 1.00 6.52 N -ATOM 3103 CA ALA B 163 64.682 15.570 35.788 1.00 6.32 C -ATOM 3104 C ALA B 163 66.062 16.227 35.877 1.00 6.26 C -ATOM 3105 O ALA B 163 66.845 15.913 36.771 1.00 6.37 O -ATOM 3106 CB ALA B 163 63.752 16.176 36.839 1.00 6.41 C -ATOM 3107 N ASP B 164 66.366 17.129 34.948 1.00 6.03 N -ATOM 3108 CA ASP B 164 67.650 17.828 34.974 1.00 6.02 C -ATOM 3109 C ASP B 164 67.497 19.101 35.798 1.00 5.84 C -ATOM 3110 O ASP B 164 68.483 19.672 36.263 1.00 5.73 O -ATOM 3111 CB ASP B 164 68.111 18.197 33.560 1.00 6.23 C -ATOM 3112 CG ASP B 164 68.374 16.984 32.693 1.00 6.44 C -ATOM 3113 OD1 ASP B 164 69.118 16.083 33.135 1.00 6.83 O -ATOM 3114 OD2 ASP B 164 67.846 16.939 31.564 1.00 6.65 O -ATOM 3115 N PHE B 165 66.242 19.521 35.964 1.00 5.72 N -ATOM 3116 CA PHE B 165 65.856 20.712 36.726 1.00 5.88 C -ATOM 3117 C PHE B 165 64.473 20.461 37.320 1.00 5.67 C -ATOM 3118 O PHE B 165 63.650 19.778 36.705 1.00 5.05 O -ATOM 3119 CB PHE B 165 65.670 21.919 35.797 1.00 6.54 C -ATOM 3120 CG PHE B 165 66.873 22.797 35.631 1.00 7.31 C -ATOM 3121 CD1 PHE B 165 67.094 23.867 36.495 1.00 7.54 C -ATOM 3122 CD2 PHE B 165 67.729 22.621 34.551 1.00 7.57 C -ATOM 3123 CE1 PHE B 165 68.142 24.756 36.280 1.00 8.20 C -ATOM 3124 CE2 PHE B 165 68.782 23.507 34.329 1.00 8.19 C -ATOM 3125 CZ PHE B 165 68.984 24.575 35.194 1.00 8.19 C -ATOM 3126 N ILE B 166 64.217 20.989 38.511 1.00 5.46 N -ATOM 3127 CA ILE B 166 62.873 20.916 39.059 1.00 5.58 C -ATOM 3128 C ILE B 166 62.462 22.388 39.148 1.00 5.36 C -ATOM 3129 O ILE B 166 63.225 23.243 39.615 1.00 5.12 O -ATOM 3130 CB ILE B 166 62.776 20.159 40.423 1.00 5.77 C -ATOM 3131 CG1 ILE B 166 63.784 20.684 41.442 1.00 6.15 C -ATOM 3132 CG2 ILE B 166 62.965 18.666 40.169 1.00 6.51 C -ATOM 3133 CD1 ILE B 166 63.620 20.045 42.825 1.00 6.52 C -ATOM 3134 N LYS B 167 61.268 22.673 38.638 1.00 5.40 N -ATOM 3135 CA LYS B 167 60.732 24.028 38.543 1.00 5.57 C -ATOM 3136 C LYS B 167 59.460 24.152 39.372 1.00 5.51 C -ATOM 3137 O LYS B 167 58.648 23.233 39.413 1.00 5.60 O -ATOM 3138 CB LYS B 167 60.475 24.307 37.055 1.00 5.65 C -ATOM 3139 CG LYS B 167 59.834 25.629 36.686 1.00 5.75 C -ATOM 3140 CD LYS B 167 59.766 25.719 35.164 1.00 5.86 C -ATOM 3141 CE LYS B 167 58.855 26.840 34.699 1.00 6.15 C -ATOM 3142 NZ LYS B 167 58.703 26.856 33.218 1.00 6.76 N -ATOM 3143 N THR B 168 59.272 25.294 40.025 1.00 5.42 N -ATOM 3144 CA THR B 168 58.110 25.458 40.891 1.00 5.52 C -ATOM 3145 C THR B 168 56.732 25.529 40.269 1.00 5.53 C -ATOM 3146 O THR B 168 55.822 24.818 40.704 1.00 5.35 O -ATOM 3147 CB THR B 168 58.205 26.724 41.783 1.00 5.71 C -ATOM 3148 OG1 THR B 168 58.082 27.900 40.971 1.00 5.87 O -ATOM 3149 CG2 THR B 168 59.517 26.754 42.543 1.00 5.90 C -ATOM 3150 N SER B 169 56.571 26.368 39.250 1.00 5.69 N -ATOM 3151 CA SER B 169 55.242 26.585 38.706 1.00 5.60 C -ATOM 3152 C SER B 169 55.135 26.924 37.226 1.00 5.44 C -ATOM 3153 O SER B 169 56.137 27.142 36.543 1.00 5.50 O -ATOM 3154 CB SER B 169 54.591 27.714 39.504 1.00 6.27 C -ATOM 3155 OG SER B 169 55.131 27.793 40.819 1.00 5.98 O -ATOM 3156 N THR B 170 53.886 26.985 36.763 1.00 5.36 N -ATOM 3157 CA THR B 170 53.552 27.318 35.377 1.00 5.24 C -ATOM 3158 C THR B 170 53.301 28.807 35.179 1.00 5.47 C -ATOM 3159 O THR B 170 53.350 29.297 34.052 1.00 5.24 O -ATOM 3160 CB THR B 170 52.256 26.623 34.911 1.00 4.82 C -ATOM 3161 OG1 THR B 170 51.157 27.059 35.731 1.00 4.89 O -ATOM 3162 CG2 THR B 170 52.398 25.116 34.992 1.00 5.12 C -ATOM 3163 N GLY B 171 53.014 29.514 36.269 1.00 5.67 N -ATOM 3164 CA GLY B 171 52.712 30.929 36.170 1.00 5.96 C -ATOM 3165 C GLY B 171 51.273 31.104 35.714 1.00 6.10 C -ATOM 3166 O GLY B 171 50.853 32.210 35.383 1.00 6.17 O -ATOM 3167 N LYS B 172 50.515 30.009 35.701 1.00 6.16 N -ATOM 3168 CA LYS B 172 49.120 30.031 35.255 1.00 6.62 C -ATOM 3169 C LYS B 172 48.101 29.737 36.357 1.00 6.56 C -ATOM 3170 O LYS B 172 46.893 29.718 36.099 1.00 7.15 O -ATOM 3171 CB LYS B 172 48.920 29.022 34.118 1.00 7.02 C -ATOM 3172 CG LYS B 172 49.782 29.265 32.886 1.00 7.80 C -ATOM 3173 CD LYS B 172 49.403 30.565 32.201 1.00 8.50 C -ATOM 3174 CE LYS B 172 50.193 30.773 30.917 1.00 9.12 C -ATOM 3175 NZ LYS B 172 49.754 32.019 30.235 1.00 10.58 N -ATOM 3176 N VAL B 173 48.580 29.488 37.573 1.00 6.42 N -ATOM 3177 CA VAL B 173 47.687 29.206 38.690 1.00 6.52 C -ATOM 3178 C VAL B 173 47.745 30.331 39.723 1.00 6.52 C -ATOM 3179 O VAL B 173 48.571 31.240 39.616 1.00 6.56 O -ATOM 3180 CB VAL B 173 48.028 27.845 39.353 1.00 6.40 C -ATOM 3181 CG1 VAL B 173 47.756 26.713 38.367 1.00 6.81 C -ATOM 3182 CG2 VAL B 173 49.482 27.817 39.788 1.00 6.52 C -ATOM 3183 N ALA B 174 46.869 30.270 40.720 1.00 6.67 N -ATOM 3184 CA ALA B 174 46.794 31.308 41.746 1.00 6.71 C -ATOM 3185 C ALA B 174 48.109 31.606 42.456 1.00 6.82 C -ATOM 3186 O ALA B 174 48.501 32.765 42.577 1.00 7.04 O -ATOM 3187 CB ALA B 174 45.721 30.944 42.766 1.00 7.00 C -ATOM 3188 N VAL B 175 48.781 30.562 42.927 1.00 6.52 N -ATOM 3189 CA VAL B 175 50.047 30.714 43.630 1.00 6.44 C -ATOM 3190 C VAL B 175 51.169 30.041 42.858 1.00 6.26 C -ATOM 3191 O VAL B 175 51.042 28.896 42.420 1.00 5.89 O -ATOM 3192 CB VAL B 175 49.972 30.106 45.048 1.00 6.75 C -ATOM 3193 CG1 VAL B 175 51.331 30.192 45.730 1.00 7.12 C -ATOM 3194 CG2 VAL B 175 48.916 30.844 45.864 1.00 6.87 C -ATOM 3195 N ASN B 176 52.267 30.762 42.687 1.00 6.27 N -ATOM 3196 CA ASN B 176 53.408 30.228 41.971 1.00 6.23 C -ATOM 3197 C ASN B 176 54.631 30.207 42.882 1.00 6.37 C -ATOM 3198 O ASN B 176 54.536 29.748 44.014 1.00 6.47 O -ATOM 3199 CB ASN B 176 53.624 31.040 40.692 1.00 6.44 C -ATOM 3200 CG ASN B 176 52.455 30.897 39.725 1.00 6.65 C -ATOM 3201 OD1 ASN B 176 52.312 29.877 39.051 1.00 6.37 O -ATOM 3202 ND2 ASN B 176 51.592 31.905 39.686 1.00 7.30 N -ATOM 3203 N ALA B 177 55.774 30.700 42.427 1.00 6.40 N -ATOM 3204 CA ALA B 177 56.961 30.653 43.272 1.00 6.64 C -ATOM 3205 C ALA B 177 56.837 31.441 44.570 1.00 6.68 C -ATOM 3206 O ALA B 177 56.232 32.510 44.603 1.00 6.85 O -ATOM 3207 CB ALA B 177 58.173 31.144 42.496 1.00 6.66 C -ATOM 3208 N THR B 178 57.396 30.884 45.641 1.00 6.93 N -ATOM 3209 CA THR B 178 57.439 31.543 46.943 1.00 7.22 C -ATOM 3210 C THR B 178 58.744 31.082 47.569 1.00 7.30 C -ATOM 3211 O THR B 178 59.247 30.004 47.243 1.00 6.97 O -ATOM 3212 CB THR B 178 56.278 31.137 47.892 1.00 7.48 C -ATOM 3213 OG1 THR B 178 56.434 29.772 48.298 1.00 7.82 O -ATOM 3214 CG2 THR B 178 54.931 31.322 47.211 1.00 7.77 C -ATOM 3215 N PRO B 179 59.331 31.903 48.449 1.00 7.45 N -ATOM 3216 CA PRO B 179 60.589 31.505 49.087 1.00 7.91 C -ATOM 3217 C PRO B 179 60.428 30.178 49.829 1.00 8.07 C -ATOM 3218 O PRO B 179 61.332 29.344 49.841 1.00 8.19 O -ATOM 3219 CB PRO B 179 60.872 32.672 50.030 1.00 7.73 C -ATOM 3220 CG PRO B 179 60.322 33.847 49.264 1.00 8.03 C -ATOM 3221 CD PRO B 179 58.995 33.304 48.764 1.00 7.83 C -ATOM 3222 N GLU B 180 59.263 29.987 50.435 1.00 8.52 N -ATOM 3223 CA GLU B 180 58.971 28.769 51.180 1.00 9.27 C -ATOM 3224 C GLU B 180 59.003 27.531 50.281 1.00 8.91 C -ATOM 3225 O GLU B 180 59.628 26.524 50.617 1.00 8.58 O -ATOM 3226 CB GLU B 180 57.600 28.893 51.844 1.00 10.46 C -ATOM 3227 CG GLU B 180 57.206 27.722 52.716 1.00 12.66 C -ATOM 3228 CD GLU B 180 55.763 27.816 53.169 1.00 13.76 C -ATOM 3229 OE1 GLU B 180 54.860 27.651 52.319 1.00 14.97 O -ATOM 3230 OE2 GLU B 180 55.527 28.069 54.369 1.00 15.24 O -ATOM 3231 N SER B 181 58.328 27.605 49.139 1.00 8.55 N -ATOM 3232 CA SER B 181 58.296 26.480 48.210 1.00 8.45 C -ATOM 3233 C SER B 181 59.668 26.214 47.609 1.00 8.02 C -ATOM 3234 O SER B 181 60.043 25.064 47.379 1.00 7.93 O -ATOM 3235 CB SER B 181 57.289 26.741 47.088 1.00 8.68 C -ATOM 3236 OG SER B 181 55.964 26.648 47.570 1.00 10.32 O -ATOM 3237 N ALA B 182 60.420 27.280 47.358 1.00 7.82 N -ATOM 3238 CA ALA B 182 61.753 27.143 46.788 1.00 7.72 C -ATOM 3239 C ALA B 182 62.683 26.437 47.769 1.00 7.79 C -ATOM 3240 O ALA B 182 63.479 25.589 47.374 1.00 7.69 O -ATOM 3241 CB ALA B 182 62.310 28.508 46.428 1.00 7.57 C -ATOM 3242 N ARG B 183 62.583 26.785 49.048 1.00 7.86 N -ATOM 3243 CA ARG B 183 63.432 26.152 50.047 1.00 8.19 C -ATOM 3244 C ARG B 183 63.119 24.663 50.150 1.00 7.98 C -ATOM 3245 O ARG B 183 64.028 23.843 50.223 1.00 8.06 O -ATOM 3246 CB ARG B 183 63.256 26.831 51.410 1.00 8.59 C -ATOM 3247 CG ARG B 183 64.153 26.262 52.507 1.00 9.61 C -ATOM 3248 CD ARG B 183 64.055 27.079 53.791 1.00 10.51 C -ATOM 3249 NE ARG B 183 64.765 28.356 53.704 1.00 11.77 N -ATOM 3250 CZ ARG B 183 66.081 28.498 53.847 1.00 11.99 C -ATOM 3251 NH1 ARG B 183 66.845 27.441 54.090 1.00 12.60 N -ATOM 3252 NH2 ARG B 183 66.636 29.700 53.752 1.00 12.58 N -ATOM 3253 N ILE B 184 61.835 24.313 50.141 1.00 7.67 N -ATOM 3254 CA ILE B 184 61.436 22.909 50.227 1.00 7.43 C -ATOM 3255 C ILE B 184 62.020 22.091 49.073 1.00 7.37 C -ATOM 3256 O ILE B 184 62.608 21.033 49.287 1.00 7.28 O -ATOM 3257 CB ILE B 184 59.888 22.760 50.219 1.00 7.44 C -ATOM 3258 CG1 ILE B 184 59.300 23.384 51.488 1.00 7.67 C -ATOM 3259 CG2 ILE B 184 59.498 21.285 50.110 1.00 7.68 C -ATOM 3260 CD1 ILE B 184 57.788 23.505 51.474 1.00 8.06 C -ATOM 3261 N MET B 185 61.865 22.588 47.849 1.00 7.22 N -ATOM 3262 CA MET B 185 62.373 21.885 46.680 1.00 7.19 C -ATOM 3263 C MET B 185 63.891 21.766 46.694 1.00 7.49 C -ATOM 3264 O MET B 185 64.434 20.711 46.362 1.00 7.27 O -ATOM 3265 CB MET B 185 61.892 22.580 45.402 1.00 7.05 C -ATOM 3266 CG MET B 185 60.388 22.421 45.180 1.00 6.19 C -ATOM 3267 SD MET B 185 59.759 23.238 43.698 1.00 6.10 S -ATOM 3268 CE MET B 185 60.430 22.174 42.414 1.00 6.44 C -ATOM 3269 N MET B 186 64.580 22.835 47.080 1.00 7.85 N -ATOM 3270 CA MET B 186 66.033 22.789 47.135 1.00 8.36 C -ATOM 3271 C MET B 186 66.488 21.856 48.256 1.00 8.39 C -ATOM 3272 O MET B 186 67.546 21.236 48.156 1.00 8.37 O -ATOM 3273 CB MET B 186 66.617 24.192 47.322 1.00 8.72 C -ATOM 3274 CG MET B 186 66.393 25.102 46.119 1.00 9.71 C -ATOM 3275 SD MET B 186 67.471 26.554 46.080 1.00 10.38 S -ATOM 3276 CE MET B 186 68.817 25.939 45.134 1.00 11.08 C -ATOM 3277 N GLU B 187 65.685 21.746 49.313 1.00 8.61 N -ATOM 3278 CA GLU B 187 66.021 20.849 50.417 1.00 9.01 C -ATOM 3279 C GLU B 187 65.954 19.409 49.915 1.00 8.81 C -ATOM 3280 O GLU B 187 66.701 18.553 50.378 1.00 8.77 O -ATOM 3281 CB GLU B 187 65.056 21.042 51.595 1.00 9.79 C -ATOM 3282 CG GLU B 187 65.281 22.335 52.369 1.00 11.41 C -ATOM 3283 CD GLU B 187 64.255 22.559 53.468 1.00 12.25 C -ATOM 3284 OE1 GLU B 187 63.050 22.353 53.213 1.00 13.53 O -ATOM 3285 OE2 GLU B 187 64.648 22.959 54.584 1.00 13.21 O -ATOM 3286 N VAL B 188 65.059 19.137 48.967 1.00 8.49 N -ATOM 3287 CA VAL B 188 64.949 17.787 48.421 1.00 8.39 C -ATOM 3288 C VAL B 188 66.207 17.464 47.615 1.00 8.44 C -ATOM 3289 O VAL B 188 66.767 16.375 47.738 1.00 8.40 O -ATOM 3290 CB VAL B 188 63.702 17.635 47.520 1.00 8.17 C -ATOM 3291 CG1 VAL B 188 63.707 16.267 46.849 1.00 8.26 C -ATOM 3292 CG2 VAL B 188 62.436 17.795 48.357 1.00 8.43 C -ATOM 3293 N ILE B 189 66.649 18.413 46.793 1.00 8.46 N -ATOM 3294 CA ILE B 189 67.856 18.232 45.991 1.00 8.81 C -ATOM 3295 C ILE B 189 69.014 17.931 46.942 1.00 9.25 C -ATOM 3296 O ILE B 189 69.831 17.042 46.690 1.00 9.24 O -ATOM 3297 CB ILE B 189 68.172 19.508 45.169 1.00 8.69 C -ATOM 3298 CG1 ILE B 189 67.079 19.729 44.119 1.00 8.72 C -ATOM 3299 CG2 ILE B 189 69.532 19.381 44.502 1.00 8.86 C -ATOM 3300 CD1 ILE B 189 67.243 21.000 43.310 1.00 8.81 C -ATOM 3301 N ARG B 190 69.068 18.672 48.046 1.00 9.71 N -ATOM 3302 CA ARG B 190 70.112 18.478 49.044 1.00 10.56 C -ATOM 3303 C ARG B 190 70.002 17.117 49.721 1.00 10.54 C -ATOM 3304 O ARG B 190 70.979 16.370 49.785 1.00 10.71 O -ATOM 3305 CB ARG B 190 70.042 19.572 50.112 1.00 11.17 C -ATOM 3306 CG ARG B 190 70.934 19.302 51.325 1.00 12.61 C -ATOM 3307 CD ARG B 190 70.790 20.386 52.380 1.00 13.87 C -ATOM 3308 NE ARG B 190 69.448 20.449 52.947 1.00 15.08 N -ATOM 3309 CZ ARG B 190 68.935 19.541 53.768 1.00 15.36 C -ATOM 3310 NH1 ARG B 190 69.656 18.486 54.124 1.00 16.33 N -ATOM 3311 NH2 ARG B 190 67.705 19.694 54.244 1.00 15.58 N -ATOM 3312 N ASP B 191 68.814 16.799 50.227 1.00 10.67 N -ATOM 3313 CA ASP B 191 68.599 15.534 50.925 1.00 10.85 C -ATOM 3314 C ASP B 191 68.861 14.310 50.061 1.00 10.87 C -ATOM 3315 O ASP B 191 69.246 13.258 50.574 1.00 11.02 O -ATOM 3316 CB ASP B 191 67.176 15.460 51.490 1.00 11.26 C -ATOM 3317 CG ASP B 191 66.905 16.531 52.533 1.00 11.43 C -ATOM 3318 OD1 ASP B 191 67.878 17.050 53.114 1.00 11.91 O -ATOM 3319 OD2 ASP B 191 65.722 16.844 52.783 1.00 12.17 O -ATOM 3320 N MET B 192 68.654 14.443 48.755 1.00 10.72 N -ATOM 3321 CA MET B 192 68.875 13.332 47.836 1.00 10.60 C -ATOM 3322 C MET B 192 70.307 13.307 47.312 1.00 10.61 C -ATOM 3323 O MET B 192 70.717 12.352 46.647 1.00 10.63 O -ATOM 3324 CB MET B 192 67.884 13.404 46.667 1.00 10.52 C -ATOM 3325 CG MET B 192 66.441 13.126 47.074 1.00 10.25 C -ATOM 3326 SD MET B 192 65.256 13.131 45.700 1.00 10.42 S -ATOM 3327 CE MET B 192 65.577 11.523 44.968 1.00 10.13 C -ATOM 3328 N GLY B 193 71.061 14.359 47.620 1.00 10.50 N -ATOM 3329 CA GLY B 193 72.446 14.449 47.189 1.00 10.69 C -ATOM 3330 C GLY B 193 72.619 14.519 45.685 1.00 10.70 C -ATOM 3331 O GLY B 193 73.592 13.995 45.142 1.00 10.92 O -ATOM 3332 N VAL B 194 71.686 15.182 45.009 1.00 10.69 N -ATOM 3333 CA VAL B 194 71.736 15.297 43.555 1.00 10.71 C -ATOM 3334 C VAL B 194 71.979 16.725 43.063 1.00 10.88 C -ATOM 3335 O VAL B 194 71.654 17.052 41.921 1.00 10.69 O -ATOM 3336 CB VAL B 194 70.421 14.775 42.922 1.00 10.64 C -ATOM 3337 CG1 VAL B 194 70.217 13.308 43.281 1.00 10.71 C -ATOM 3338 CG2 VAL B 194 69.239 15.608 43.406 1.00 10.52 C -ATOM 3339 N GLU B 195 72.561 17.568 43.911 1.00 11.20 N -ATOM 3340 CA GLU B 195 72.810 18.956 43.530 1.00 11.72 C -ATOM 3341 C GLU B 195 73.721 19.113 42.312 1.00 11.58 C -ATOM 3342 O GLU B 195 73.665 20.127 41.619 1.00 11.51 O -ATOM 3343 CB GLU B 195 73.396 19.748 44.707 1.00 12.56 C -ATOM 3344 CG GLU B 195 74.804 19.339 45.106 1.00 14.04 C -ATOM 3345 CD GLU B 195 74.832 18.341 46.247 1.00 14.74 C -ATOM 3346 OE1 GLU B 195 73.966 17.443 46.289 1.00 15.45 O -ATOM 3347 OE2 GLU B 195 75.736 18.449 47.104 1.00 16.07 O -ATOM 3348 N LYS B 196 74.561 18.122 42.046 1.00 11.49 N -ATOM 3349 CA LYS B 196 75.457 18.213 40.898 1.00 11.52 C -ATOM 3350 C LYS B 196 74.745 17.960 39.575 1.00 10.99 C -ATOM 3351 O LYS B 196 75.172 18.453 38.531 1.00 11.20 O -ATOM 3352 CB LYS B 196 76.617 17.223 41.050 1.00 12.37 C -ATOM 3353 CG LYS B 196 77.605 17.598 42.144 1.00 13.57 C -ATOM 3354 CD LYS B 196 78.723 16.573 42.273 1.00 14.60 C -ATOM 3355 CE LYS B 196 78.212 15.262 42.851 1.00 15.27 C -ATOM 3356 NZ LYS B 196 77.673 15.440 44.230 1.00 16.07 N -ATOM 3357 N THR B 197 73.646 17.213 39.621 1.00 10.29 N -ATOM 3358 CA THR B 197 72.906 16.872 38.410 1.00 9.72 C -ATOM 3359 C THR B 197 71.508 17.475 38.272 1.00 9.12 C -ATOM 3360 O THR B 197 70.885 17.351 37.217 1.00 9.13 O -ATOM 3361 CB THR B 197 72.789 15.335 38.274 1.00 9.81 C -ATOM 3362 OG1 THR B 197 72.228 14.784 39.474 1.00 10.05 O -ATOM 3363 CG2 THR B 197 74.163 14.719 38.035 1.00 10.20 C -ATOM 3364 N VAL B 198 71.014 18.130 39.317 1.00 8.39 N -ATOM 3365 CA VAL B 198 69.680 18.719 39.267 1.00 7.90 C -ATOM 3366 C VAL B 198 69.680 20.194 39.647 1.00 7.51 C -ATOM 3367 O VAL B 198 70.154 20.578 40.719 1.00 7.73 O -ATOM 3368 CB VAL B 198 68.704 17.962 40.199 1.00 7.95 C -ATOM 3369 CG1 VAL B 198 67.299 18.547 40.077 1.00 7.97 C -ATOM 3370 CG2 VAL B 198 68.699 16.485 39.846 1.00 8.29 C -ATOM 3371 N GLY B 199 69.148 21.016 38.750 1.00 7.00 N -ATOM 3372 CA GLY B 199 69.074 22.443 38.993 1.00 6.69 C -ATOM 3373 C GLY B 199 67.712 22.841 39.526 1.00 6.33 C -ATOM 3374 O GLY B 199 66.786 22.029 39.578 1.00 6.39 O -ATOM 3375 N PHE B 200 67.590 24.098 39.930 1.00 6.11 N -ATOM 3376 CA PHE B 200 66.332 24.604 40.460 1.00 5.68 C -ATOM 3377 C PHE B 200 65.887 25.849 39.707 1.00 5.56 C -ATOM 3378 O PHE B 200 66.707 26.693 39.350 1.00 5.38 O -ATOM 3379 CB PHE B 200 66.469 24.933 41.948 1.00 5.79 C -ATOM 3380 CG PHE B 200 65.236 25.556 42.538 1.00 5.51 C -ATOM 3381 CD1 PHE B 200 64.049 24.833 42.618 1.00 5.62 C -ATOM 3382 CD2 PHE B 200 65.238 26.885 42.947 1.00 5.64 C -ATOM 3383 CE1 PHE B 200 62.882 25.425 43.087 1.00 5.58 C -ATOM 3384 CE2 PHE B 200 64.075 27.489 43.419 1.00 5.41 C -ATOM 3385 CZ PHE B 200 62.894 26.758 43.487 1.00 5.76 C -ATOM 3386 N LYS B 201 64.584 25.963 39.468 1.00 5.46 N -ATOM 3387 CA LYS B 201 64.046 27.112 38.757 1.00 5.51 C -ATOM 3388 C LYS B 201 62.755 27.661 39.354 1.00 5.51 C -ATOM 3389 O LYS B 201 61.682 27.065 39.211 1.00 5.45 O -ATOM 3390 CB LYS B 201 63.806 26.764 37.279 1.00 5.47 C -ATOM 3391 CG LYS B 201 63.157 27.889 36.464 1.00 5.41 C -ATOM 3392 CD LYS B 201 63.030 27.518 34.983 1.00 5.53 C -ATOM 3393 CE LYS B 201 62.233 28.574 34.217 1.00 5.89 C -ATOM 3394 NZ LYS B 201 62.066 28.237 32.767 1.00 6.27 N -ATOM 3395 N PRO B 202 62.847 28.779 40.088 1.00 5.69 N -ATOM 3396 CA PRO B 202 61.623 29.344 40.654 1.00 5.93 C -ATOM 3397 C PRO B 202 60.961 30.052 39.474 1.00 6.29 C -ATOM 3398 O PRO B 202 61.644 30.704 38.683 1.00 6.35 O -ATOM 3399 CB PRO B 202 62.146 30.313 41.711 1.00 5.82 C -ATOM 3400 CG PRO B 202 63.448 30.766 41.139 1.00 6.00 C -ATOM 3401 CD PRO B 202 64.039 29.486 40.592 1.00 5.78 C -ATOM 3402 N ALA B 203 59.647 29.913 39.334 1.00 6.63 N -ATOM 3403 CA ALA B 203 58.956 30.539 38.216 1.00 7.27 C -ATOM 3404 C ALA B 203 57.579 31.066 38.592 1.00 7.90 C -ATOM 3405 O ALA B 203 56.892 30.496 39.440 1.00 7.64 O -ATOM 3406 CB ALA B 203 58.838 29.542 37.064 1.00 7.22 C -ATOM 3407 N GLY B 204 57.185 32.160 37.945 1.00 8.93 N -ATOM 3408 CA GLY B 204 55.891 32.765 38.198 1.00 9.99 C -ATOM 3409 C GLY B 204 55.871 33.684 39.403 1.00 10.67 C -ATOM 3410 O GLY B 204 56.226 33.276 40.507 1.00 10.99 O -ATOM 3411 N GLY B 205 55.470 34.933 39.189 1.00 11.23 N -ATOM 3412 CA GLY B 205 55.389 35.884 40.283 1.00 11.86 C -ATOM 3413 C GLY B 205 56.686 36.529 40.741 1.00 12.18 C -ATOM 3414 O GLY B 205 56.657 37.426 41.587 1.00 12.60 O -ATOM 3415 N VAL B 206 57.822 36.081 40.210 1.00 12.34 N -ATOM 3416 CA VAL B 206 59.111 36.658 40.591 1.00 12.40 C -ATOM 3417 C VAL B 206 59.259 37.926 39.764 1.00 12.57 C -ATOM 3418 O VAL B 206 59.617 37.865 38.591 1.00 12.46 O -ATOM 3419 CB VAL B 206 60.273 35.696 40.268 1.00 12.28 C -ATOM 3420 CG1 VAL B 206 61.565 36.226 40.865 1.00 12.39 C -ATOM 3421 CG2 VAL B 206 59.963 34.304 40.813 1.00 12.44 C -ATOM 3422 N ARG B 207 58.995 39.077 40.375 1.00 12.92 N -ATOM 3423 CA ARG B 207 59.044 40.328 39.631 1.00 13.31 C -ATOM 3424 C ARG B 207 60.051 41.392 40.051 1.00 12.98 C -ATOM 3425 O ARG B 207 60.367 42.275 39.256 1.00 12.99 O -ATOM 3426 CB ARG B 207 57.643 40.947 39.612 1.00 14.47 C -ATOM 3427 CG ARG B 207 56.555 39.963 39.204 1.00 15.75 C -ATOM 3428 CD ARG B 207 55.175 40.605 39.199 1.00 17.06 C -ATOM 3429 NE ARG B 207 54.111 39.610 39.067 1.00 18.25 N -ATOM 3430 CZ ARG B 207 53.966 38.793 38.027 1.00 18.59 C -ATOM 3431 NH1 ARG B 207 54.816 38.844 37.011 1.00 19.25 N -ATOM 3432 NH2 ARG B 207 52.970 37.917 38.006 1.00 19.15 N -ATOM 3433 N THR B 208 60.559 41.323 41.277 1.00 12.68 N -ATOM 3434 CA THR B 208 61.502 42.341 41.736 1.00 12.44 C -ATOM 3435 C THR B 208 62.912 41.842 42.013 1.00 12.14 C -ATOM 3436 O THR B 208 63.128 40.663 42.298 1.00 11.86 O -ATOM 3437 CB THR B 208 61.006 43.025 43.019 1.00 12.59 C -ATOM 3438 OG1 THR B 208 61.142 42.124 44.122 1.00 12.91 O -ATOM 3439 CG2 THR B 208 59.546 43.421 42.880 1.00 12.72 C -ATOM 3440 N ALA B 209 63.870 42.761 41.937 1.00 11.96 N -ATOM 3441 CA ALA B 209 65.267 42.436 42.194 1.00 11.92 C -ATOM 3442 C ALA B 209 65.392 41.918 43.623 1.00 11.92 C -ATOM 3443 O ALA B 209 66.214 41.044 43.909 1.00 11.55 O -ATOM 3444 CB ALA B 209 66.137 43.676 42.004 1.00 11.95 C -ATOM 3445 N GLU B 210 64.572 42.467 44.515 1.00 12.20 N -ATOM 3446 CA GLU B 210 64.575 42.058 45.914 1.00 12.54 C -ATOM 3447 C GLU B 210 64.159 40.593 46.036 1.00 12.43 C -ATOM 3448 O GLU B 210 64.710 39.855 46.849 1.00 12.36 O -ATOM 3449 CB GLU B 210 63.619 42.930 46.738 1.00 13.17 C -ATOM 3450 CG GLU B 210 64.098 44.353 47.024 1.00 14.00 C -ATOM 3451 CD GLU B 210 64.117 45.245 45.795 1.00 14.40 C -ATOM 3452 OE1 GLU B 210 63.351 44.982 44.843 1.00 14.59 O -ATOM 3453 OE2 GLU B 210 64.888 46.230 45.793 1.00 14.95 O -ATOM 3454 N ASP B 211 63.183 40.178 45.229 1.00 12.38 N -ATOM 3455 CA ASP B 211 62.721 38.791 45.255 1.00 12.41 C -ATOM 3456 C ASP B 211 63.842 37.876 44.782 1.00 11.75 C -ATOM 3457 O ASP B 211 64.148 36.871 45.414 1.00 11.28 O -ATOM 3458 CB ASP B 211 61.519 38.574 44.325 1.00 13.67 C -ATOM 3459 CG ASP B 211 60.298 39.378 44.727 1.00 14.72 C -ATOM 3460 OD1 ASP B 211 60.023 39.498 45.940 1.00 15.73 O -ATOM 3461 OD2 ASP B 211 59.596 39.870 43.813 1.00 15.79 O -ATOM 3462 N ALA B 212 64.441 38.228 43.649 1.00 11.00 N -ATOM 3463 CA ALA B 212 65.518 37.431 43.079 1.00 10.72 C -ATOM 3464 C ALA B 212 66.652 37.224 44.075 1.00 10.59 C -ATOM 3465 O ALA B 212 67.211 36.134 44.173 1.00 10.58 O -ATOM 3466 CB ALA B 212 66.043 38.096 41.815 1.00 10.50 C -ATOM 3467 N GLN B 213 66.992 38.273 44.815 1.00 10.49 N -ATOM 3468 CA GLN B 213 68.063 38.181 45.793 1.00 10.41 C -ATOM 3469 C GLN B 213 67.747 37.126 46.851 1.00 10.11 C -ATOM 3470 O GLN B 213 68.622 36.361 47.255 1.00 10.05 O -ATOM 3471 CB GLN B 213 68.284 39.543 46.450 1.00 10.89 C -ATOM 3472 CG GLN B 213 69.355 39.545 47.520 1.00 11.83 C -ATOM 3473 CD GLN B 213 69.625 40.931 48.056 1.00 12.70 C -ATOM 3474 OE1 GLN B 213 68.707 41.639 48.468 1.00 13.23 O -ATOM 3475 NE2 GLN B 213 70.890 41.328 48.054 1.00 13.05 N -ATOM 3476 N LYS B 214 66.492 37.084 47.290 1.00 9.82 N -ATOM 3477 CA LYS B 214 66.067 36.116 48.295 1.00 9.88 C -ATOM 3478 C LYS B 214 66.178 34.682 47.791 1.00 9.31 C -ATOM 3479 O LYS B 214 66.590 33.788 48.531 1.00 9.34 O -ATOM 3480 CB LYS B 214 64.624 36.395 48.723 1.00 10.56 C -ATOM 3481 CG LYS B 214 64.437 37.729 49.426 1.00 11.91 C -ATOM 3482 CD LYS B 214 62.992 37.940 49.836 1.00 13.07 C -ATOM 3483 CE LYS B 214 62.806 39.309 50.463 1.00 13.87 C -ATOM 3484 NZ LYS B 214 63.745 39.517 51.597 1.00 14.92 N -ATOM 3485 N TYR B 215 65.807 34.455 46.534 1.00 8.83 N -ATOM 3486 CA TYR B 215 65.881 33.114 45.969 1.00 8.52 C -ATOM 3487 C TYR B 215 67.324 32.631 45.836 1.00 8.45 C -ATOM 3488 O TYR B 215 67.628 31.467 46.104 1.00 8.30 O -ATOM 3489 CB TYR B 215 65.166 33.079 44.614 1.00 8.17 C -ATOM 3490 CG TYR B 215 63.657 33.095 44.738 1.00 7.97 C -ATOM 3491 CD1 TYR B 215 62.972 32.014 45.293 1.00 7.79 C -ATOM 3492 CD2 TYR B 215 62.915 34.202 44.328 1.00 7.96 C -ATOM 3493 CE1 TYR B 215 61.587 32.035 45.441 1.00 8.15 C -ATOM 3494 CE2 TYR B 215 61.528 34.236 44.472 1.00 8.03 C -ATOM 3495 CZ TYR B 215 60.871 33.151 45.030 1.00 7.94 C -ATOM 3496 OH TYR B 215 59.501 33.188 45.183 1.00 8.51 O -ATOM 3497 N LEU B 216 68.221 33.523 45.432 1.00 8.49 N -ATOM 3498 CA LEU B 216 69.623 33.151 45.295 1.00 8.69 C -ATOM 3499 C LEU B 216 70.272 32.946 46.663 1.00 8.69 C -ATOM 3500 O LEU B 216 71.192 32.140 46.803 1.00 8.83 O -ATOM 3501 CB LEU B 216 70.380 34.219 44.502 1.00 8.86 C -ATOM 3502 CG LEU B 216 70.146 34.199 42.989 1.00 8.81 C -ATOM 3503 CD1 LEU B 216 70.781 35.419 42.350 1.00 9.32 C -ATOM 3504 CD2 LEU B 216 70.719 32.917 42.398 1.00 8.99 C -ATOM 3505 N ALA B 217 69.785 33.670 47.668 1.00 8.74 N -ATOM 3506 CA ALA B 217 70.317 33.549 49.022 1.00 8.71 C -ATOM 3507 C ALA B 217 70.080 32.131 49.535 1.00 8.79 C -ATOM 3508 O ALA B 217 70.922 31.561 50.224 1.00 8.77 O -ATOM 3509 CB ALA B 217 69.650 34.563 49.944 1.00 8.84 C -ATOM 3510 N ILE B 218 68.926 31.564 49.202 1.00 8.79 N -ATOM 3511 CA ILE B 218 68.609 30.205 49.623 1.00 9.07 C -ATOM 3512 C ILE B 218 69.578 29.232 48.952 1.00 9.34 C -ATOM 3513 O ILE B 218 70.093 28.317 49.595 1.00 9.35 O -ATOM 3514 CB ILE B 218 67.154 29.829 49.253 1.00 9.05 C -ATOM 3515 CG1 ILE B 218 66.177 30.751 49.989 1.00 9.14 C -ATOM 3516 CG2 ILE B 218 66.880 28.377 49.622 1.00 8.92 C -ATOM 3517 CD1 ILE B 218 64.730 30.598 49.554 1.00 9.63 C -ATOM 3518 N ALA B 219 69.829 29.436 47.661 1.00 9.60 N -ATOM 3519 CA ALA B 219 70.750 28.574 46.926 1.00 9.73 C -ATOM 3520 C ALA B 219 72.155 28.651 47.523 1.00 10.11 C -ATOM 3521 O ALA B 219 72.794 27.624 47.754 1.00 10.01 O -ATOM 3522 CB ALA B 219 70.784 28.968 45.450 1.00 9.77 C -ATOM 3523 N ASP B 220 72.634 29.868 47.772 1.00 10.45 N -ATOM 3524 CA ASP B 220 73.965 30.054 48.345 1.00 10.94 C -ATOM 3525 C ASP B 220 74.071 29.397 49.718 1.00 11.26 C -ATOM 3526 O ASP B 220 75.086 28.785 50.045 1.00 11.32 O -ATOM 3527 CB ASP B 220 74.299 31.546 48.473 1.00 11.09 C -ATOM 3528 CG ASP B 220 74.461 32.231 47.128 1.00 11.47 C -ATOM 3529 OD1 ASP B 220 74.565 31.528 46.100 1.00 11.62 O -ATOM 3530 OD2 ASP B 220 74.496 33.481 47.102 1.00 11.72 O -ATOM 3531 N GLU B 221 73.017 29.523 50.515 1.00 11.56 N -ATOM 3532 CA GLU B 221 72.992 28.951 51.858 1.00 12.13 C -ATOM 3533 C GLU B 221 73.118 27.433 51.846 1.00 12.15 C -ATOM 3534 O GLU B 221 73.906 26.856 52.599 1.00 12.21 O -ATOM 3535 CB GLU B 221 71.691 29.336 52.564 1.00 12.72 C -ATOM 3536 CG GLU B 221 71.567 28.799 53.982 1.00 14.05 C -ATOM 3537 CD GLU B 221 70.142 28.844 54.501 1.00 14.70 C -ATOM 3538 OE1 GLU B 221 69.495 29.905 54.387 1.00 15.70 O -ATOM 3539 OE2 GLU B 221 69.666 27.816 55.031 1.00 15.45 O -ATOM 3540 N LEU B 222 72.339 26.789 50.984 1.00 12.06 N -ATOM 3541 CA LEU B 222 72.337 25.337 50.896 1.00 12.16 C -ATOM 3542 C LEU B 222 73.485 24.690 50.135 1.00 12.12 C -ATOM 3543 O LEU B 222 73.966 23.630 50.534 1.00 12.21 O -ATOM 3544 CB LEU B 222 71.019 24.849 50.283 1.00 12.39 C -ATOM 3545 CG LEU B 222 69.783 24.709 51.173 1.00 12.68 C -ATOM 3546 CD1 LEU B 222 69.401 26.051 51.766 1.00 13.07 C -ATOM 3547 CD2 LEU B 222 68.637 24.147 50.349 1.00 12.87 C -ATOM 3548 N PHE B 223 73.938 25.317 49.053 1.00 12.00 N -ATOM 3549 CA PHE B 223 74.985 24.707 48.238 1.00 12.00 C -ATOM 3550 C PHE B 223 76.285 25.481 48.045 1.00 12.12 C -ATOM 3551 O PHE B 223 77.169 25.027 47.318 1.00 12.38 O -ATOM 3552 CB PHE B 223 74.402 24.376 46.863 1.00 11.97 C -ATOM 3553 CG PHE B 223 73.151 23.546 46.921 1.00 11.90 C -ATOM 3554 CD1 PHE B 223 73.185 22.249 47.417 1.00 11.96 C -ATOM 3555 CD2 PHE B 223 71.936 24.067 46.488 1.00 11.91 C -ATOM 3556 CE1 PHE B 223 72.027 21.479 47.481 1.00 12.11 C -ATOM 3557 CE2 PHE B 223 70.771 23.303 46.551 1.00 12.01 C -ATOM 3558 CZ PHE B 223 70.819 22.008 47.048 1.00 11.95 C -ATOM 3559 N GLY B 224 76.414 26.633 48.690 1.00 12.36 N -ATOM 3560 CA GLY B 224 77.619 27.425 48.520 1.00 12.56 C -ATOM 3561 C GLY B 224 77.384 28.453 47.429 1.00 12.85 C -ATOM 3562 O GLY B 224 76.579 28.225 46.528 1.00 12.82 O -ATOM 3563 N ALA B 225 78.097 29.572 47.497 1.00 13.11 N -ATOM 3564 CA ALA B 225 77.939 30.658 46.534 1.00 13.44 C -ATOM 3565 C ALA B 225 78.286 30.368 45.073 1.00 13.59 C -ATOM 3566 O ALA B 225 77.899 31.136 44.193 1.00 13.85 O -ATOM 3567 CB ALA B 225 78.723 31.873 47.012 1.00 13.77 C -ATOM 3568 N ASP B 226 79.002 29.281 44.801 1.00 13.59 N -ATOM 3569 CA ASP B 226 79.381 28.967 43.421 1.00 13.65 C -ATOM 3570 C ASP B 226 78.467 27.974 42.710 1.00 13.11 C -ATOM 3571 O ASP B 226 78.607 27.750 41.506 1.00 13.40 O -ATOM 3572 CB ASP B 226 80.815 28.426 43.371 1.00 14.70 C -ATOM 3573 CG ASP B 226 81.835 29.427 43.871 1.00 15.51 C -ATOM 3574 OD1 ASP B 226 81.851 30.568 43.361 1.00 16.46 O -ATOM 3575 OD2 ASP B 226 82.628 29.068 44.767 1.00 16.84 O -ATOM 3576 N TRP B 227 77.525 27.394 43.441 1.00 12.39 N -ATOM 3577 CA TRP B 227 76.622 26.400 42.871 1.00 11.62 C -ATOM 3578 C TRP B 227 75.645 26.899 41.804 1.00 11.33 C -ATOM 3579 O TRP B 227 75.480 26.266 40.760 1.00 11.27 O -ATOM 3580 CB TRP B 227 75.814 25.736 43.986 1.00 11.16 C -ATOM 3581 CG TRP B 227 74.942 24.619 43.504 1.00 10.84 C -ATOM 3582 CD1 TRP B 227 75.337 23.350 43.192 1.00 10.68 C -ATOM 3583 CD2 TRP B 227 73.531 24.672 43.262 1.00 10.65 C -ATOM 3584 NE1 TRP B 227 74.260 22.608 42.774 1.00 10.80 N -ATOM 3585 CE2 TRP B 227 73.138 23.394 42.806 1.00 10.52 C -ATOM 3586 CE3 TRP B 227 72.561 25.674 43.385 1.00 10.52 C -ATOM 3587 CZ2 TRP B 227 71.812 23.090 42.473 1.00 10.47 C -ATOM 3588 CZ3 TRP B 227 71.240 25.372 43.053 1.00 10.53 C -ATOM 3589 CH2 TRP B 227 70.880 24.090 42.603 1.00 10.47 C -ATOM 3590 N ALA B 228 75.006 28.033 42.066 1.00 10.93 N -ATOM 3591 CA ALA B 228 73.998 28.574 41.159 1.00 10.79 C -ATOM 3592 C ALA B 228 74.432 29.138 39.809 1.00 10.62 C -ATOM 3593 O ALA B 228 74.253 30.329 39.549 1.00 10.94 O -ATOM 3594 CB ALA B 228 73.160 29.613 41.899 1.00 10.50 C -ATOM 3595 N ASP B 229 74.990 28.285 38.953 1.00 10.55 N -ATOM 3596 CA ASP B 229 75.383 28.702 37.610 1.00 10.25 C -ATOM 3597 C ASP B 229 74.217 28.359 36.678 1.00 9.96 C -ATOM 3598 O ASP B 229 73.200 27.829 37.127 1.00 9.54 O -ATOM 3599 CB ASP B 229 76.662 27.987 37.151 1.00 10.99 C -ATOM 3600 CG ASP B 229 76.582 26.485 37.299 1.00 11.55 C -ATOM 3601 OD1 ASP B 229 75.496 25.916 37.071 1.00 12.18 O -ATOM 3602 OD2 ASP B 229 77.618 25.870 37.631 1.00 12.63 O -ATOM 3603 N ALA B 230 74.364 28.646 35.389 1.00 9.38 N -ATOM 3604 CA ALA B 230 73.297 28.394 34.417 1.00 9.03 C -ATOM 3605 C ALA B 230 72.774 26.959 34.355 1.00 8.75 C -ATOM 3606 O ALA B 230 71.599 26.736 34.063 1.00 8.59 O -ATOM 3607 CB ALA B 230 73.751 28.831 33.035 1.00 9.26 C -ATOM 3608 N ARG B 231 73.635 25.984 34.616 1.00 8.41 N -ATOM 3609 CA ARG B 231 73.208 24.589 34.576 1.00 8.28 C -ATOM 3610 C ARG B 231 72.420 24.181 35.821 1.00 8.10 C -ATOM 3611 O ARG B 231 71.699 23.185 35.808 1.00 8.22 O -ATOM 3612 CB ARG B 231 74.429 23.673 34.415 1.00 8.62 C -ATOM 3613 CG ARG B 231 74.132 22.179 34.559 1.00 8.59 C -ATOM 3614 CD ARG B 231 73.192 21.665 33.474 1.00 8.93 C -ATOM 3615 NE ARG B 231 72.874 20.248 33.648 1.00 9.28 N -ATOM 3616 CZ ARG B 231 71.973 19.769 34.503 1.00 9.23 C -ATOM 3617 NH1 ARG B 231 71.277 20.590 35.279 1.00 8.96 N -ATOM 3618 NH2 ARG B 231 71.768 18.460 34.587 1.00 9.20 N -ATOM 3619 N HIS B 232 72.531 24.965 36.888 1.00 7.80 N -ATOM 3620 CA HIS B 232 71.850 24.620 38.131 1.00 7.55 C -ATOM 3621 C HIS B 232 70.820 25.609 38.647 1.00 7.26 C -ATOM 3622 O HIS B 232 70.159 25.343 39.652 1.00 7.05 O -ATOM 3623 CB HIS B 232 72.896 24.376 39.215 1.00 8.03 C -ATOM 3624 CG HIS B 232 73.876 23.305 38.860 1.00 8.69 C -ATOM 3625 ND1 HIS B 232 73.665 21.974 39.152 1.00 9.50 N -ATOM 3626 CD2 HIS B 232 75.035 23.358 38.163 1.00 8.80 C -ATOM 3627 CE1 HIS B 232 74.652 21.256 38.649 1.00 8.84 C -ATOM 3628 NE2 HIS B 232 75.495 22.071 38.042 1.00 9.61 N -ATOM 3629 N TYR B 233 70.667 26.743 37.976 1.00 6.91 N -ATOM 3630 CA TYR B 233 69.705 27.722 38.449 1.00 6.79 C -ATOM 3631 C TYR B 233 69.203 28.623 37.334 1.00 6.46 C -ATOM 3632 O TYR B 233 69.983 29.077 36.500 1.00 6.63 O -ATOM 3633 CB TYR B 233 70.342 28.577 39.555 1.00 6.99 C -ATOM 3634 CG TYR B 233 69.337 29.179 40.507 1.00 7.20 C -ATOM 3635 CD1 TYR B 233 68.536 30.257 40.128 1.00 7.59 C -ATOM 3636 CD2 TYR B 233 69.137 28.621 41.770 1.00 7.57 C -ATOM 3637 CE1 TYR B 233 67.555 30.759 40.984 1.00 7.92 C -ATOM 3638 CE2 TYR B 233 68.164 29.113 42.629 1.00 8.06 C -ATOM 3639 CZ TYR B 233 67.374 30.177 42.229 1.00 8.25 C -ATOM 3640 OH TYR B 233 66.382 30.625 43.067 1.00 9.00 O -ATOM 3641 N ARG B 234 67.894 28.861 37.316 1.00 6.23 N -ATOM 3642 CA ARG B 234 67.272 29.748 36.334 1.00 6.12 C -ATOM 3643 C ARG B 234 66.091 30.461 36.967 1.00 6.23 C -ATOM 3644 O ARG B 234 65.456 29.942 37.882 1.00 6.33 O -ATOM 3645 CB ARG B 234 66.732 28.980 35.127 1.00 5.92 C -ATOM 3646 CG ARG B 234 67.739 28.185 34.345 1.00 5.61 C -ATOM 3647 CD ARG B 234 68.727 29.025 33.552 1.00 5.94 C -ATOM 3648 NE ARG B 234 69.606 28.092 32.860 1.00 5.67 N -ATOM 3649 CZ ARG B 234 69.272 27.422 31.761 1.00 6.01 C -ATOM 3650 NH1 ARG B 234 68.086 27.604 31.191 1.00 5.86 N -ATOM 3651 NH2 ARG B 234 70.086 26.490 31.291 1.00 6.23 N -ATOM 3652 N PHE B 235 65.803 31.656 36.471 1.00 6.47 N -ATOM 3653 CA PHE B 235 64.656 32.416 36.938 1.00 6.55 C -ATOM 3654 C PHE B 235 63.627 32.416 35.814 1.00 6.67 C -ATOM 3655 O PHE B 235 63.902 32.913 34.722 1.00 6.77 O -ATOM 3656 CB PHE B 235 65.048 33.860 37.257 1.00 6.59 C -ATOM 3657 CG PHE B 235 65.607 34.046 38.636 1.00 6.57 C -ATOM 3658 CD1 PHE B 235 64.776 33.977 39.752 1.00 6.87 C -ATOM 3659 CD2 PHE B 235 66.962 34.277 38.823 1.00 6.76 C -ATOM 3660 CE1 PHE B 235 65.291 34.138 41.038 1.00 6.97 C -ATOM 3661 CE2 PHE B 235 67.490 34.439 40.107 1.00 6.97 C -ATOM 3662 CZ PHE B 235 66.653 34.370 41.214 1.00 6.87 C -ATOM 3663 N GLY B 236 62.461 31.830 36.071 1.00 6.84 N -ATOM 3664 CA GLY B 236 61.406 31.827 35.072 1.00 7.22 C -ATOM 3665 C GLY B 236 60.664 33.125 35.312 1.00 7.50 C -ATOM 3666 O GLY B 236 59.853 33.218 36.235 1.00 7.51 O -ATOM 3667 N ALA B 237 60.942 34.135 34.495 1.00 7.70 N -ATOM 3668 CA ALA B 237 60.320 35.436 34.693 1.00 7.96 C -ATOM 3669 C ALA B 237 60.308 36.312 33.447 1.00 8.33 C -ATOM 3670 O ALA B 237 60.886 35.967 32.417 1.00 7.62 O -ATOM 3671 CB ALA B 237 61.031 36.161 35.827 1.00 8.16 C -ATOM 3672 N SER B 238 59.654 37.463 33.567 1.00 8.82 N -ATOM 3673 CA SER B 238 59.533 38.408 32.468 1.00 9.58 C -ATOM 3674 C SER B 238 59.847 39.835 32.911 1.00 9.82 C -ATOM 3675 O SER B 238 60.942 40.339 32.658 1.00 10.22 O -ATOM 3676 CB SER B 238 58.118 38.342 31.884 1.00 9.76 C -ATOM 3677 OG SER B 238 57.131 38.534 32.890 1.00 10.53 O -ATOM 3678 N SER B 239 58.893 40.477 33.581 1.00 10.30 N -ATOM 3679 CA SER B 239 59.075 41.852 34.038 1.00 10.75 C -ATOM 3680 C SER B 239 60.241 41.985 35.011 1.00 10.51 C -ATOM 3681 O SER B 239 60.717 43.090 35.269 1.00 10.74 O -ATOM 3682 CB SER B 239 57.790 42.379 34.687 1.00 11.30 C -ATOM 3683 OG SER B 239 57.482 41.673 35.871 1.00 12.93 O -ATOM 3684 N LEU B 240 60.693 40.858 35.554 1.00 10.24 N -ATOM 3685 CA LEU B 240 61.822 40.858 36.477 1.00 9.81 C -ATOM 3686 C LEU B 240 63.034 41.528 35.835 1.00 10.05 C -ATOM 3687 O LEU B 240 63.783 42.241 36.501 1.00 9.87 O -ATOM 3688 CB LEU B 240 62.194 39.423 36.870 1.00 9.33 C -ATOM 3689 CG LEU B 240 63.474 39.261 37.703 1.00 8.87 C -ATOM 3690 CD1 LEU B 240 63.323 39.953 39.057 1.00 8.88 C -ATOM 3691 CD2 LEU B 240 63.766 37.784 37.892 1.00 8.94 C -ATOM 3692 N LEU B 241 63.226 41.298 34.540 1.00 10.30 N -ATOM 3693 CA LEU B 241 64.362 41.871 33.829 1.00 10.72 C -ATOM 3694 C LEU B 241 64.433 43.387 33.985 1.00 10.95 C -ATOM 3695 O LEU B 241 65.498 43.941 34.264 1.00 10.89 O -ATOM 3696 CB LEU B 241 64.300 41.498 32.346 1.00 10.94 C -ATOM 3697 CG LEU B 241 65.464 41.995 31.486 1.00 11.25 C -ATOM 3698 CD1 LEU B 241 66.779 41.465 32.038 1.00 11.50 C -ATOM 3699 CD2 LEU B 241 65.264 41.544 30.047 1.00 11.53 C -ATOM 3700 N ALA B 242 63.298 44.058 33.814 1.00 11.10 N -ATOM 3701 CA ALA B 242 63.260 45.510 33.942 1.00 11.35 C -ATOM 3702 C ALA B 242 63.671 45.936 35.350 1.00 11.51 C -ATOM 3703 O ALA B 242 64.370 46.937 35.527 1.00 11.79 O -ATOM 3704 CB ALA B 242 61.863 46.028 33.620 1.00 11.42 C -ATOM 3705 N SER B 243 63.241 45.172 36.350 1.00 11.54 N -ATOM 3706 CA SER B 243 63.568 45.478 37.737 1.00 11.52 C -ATOM 3707 C SER B 243 65.057 45.296 38.000 1.00 11.53 C -ATOM 3708 O SER B 243 65.680 46.099 38.697 1.00 11.43 O -ATOM 3709 CB SER B 243 62.765 44.581 38.682 1.00 11.58 C -ATOM 3710 OG SER B 243 63.026 44.905 40.037 1.00 11.87 O -ATOM 3711 N LEU B 244 65.629 44.235 37.446 1.00 11.38 N -ATOM 3712 CA LEU B 244 67.048 43.971 37.623 1.00 11.54 C -ATOM 3713 C LEU B 244 67.864 45.069 36.945 1.00 11.97 C -ATOM 3714 O LEU B 244 68.811 45.600 37.529 1.00 11.71 O -ATOM 3715 CB LEU B 244 67.410 42.603 37.041 1.00 11.01 C -ATOM 3716 CG LEU B 244 66.778 41.393 37.737 1.00 10.71 C -ATOM 3717 CD1 LEU B 244 67.119 40.135 36.964 1.00 10.44 C -ATOM 3718 CD2 LEU B 244 67.277 41.292 39.174 1.00 10.52 C -ATOM 3719 N LEU B 245 67.490 45.419 35.720 1.00 12.47 N -ATOM 3720 CA LEU B 245 68.205 46.460 34.994 1.00 13.32 C -ATOM 3721 C LEU B 245 68.130 47.790 35.734 1.00 13.88 C -ATOM 3722 O LEU B 245 69.107 48.537 35.775 1.00 14.05 O -ATOM 3723 CB LEU B 245 67.642 46.604 33.579 1.00 13.30 C -ATOM 3724 CG LEU B 245 68.040 45.479 32.619 1.00 13.24 C -ATOM 3725 CD1 LEU B 245 67.260 45.601 31.322 1.00 13.33 C -ATOM 3726 CD2 LEU B 245 69.540 45.544 32.354 1.00 13.24 C -ATOM 3727 N LYS B 246 66.979 48.082 36.332 1.00 14.59 N -ATOM 3728 CA LYS B 246 66.822 49.333 37.065 1.00 15.32 C -ATOM 3729 C LYS B 246 67.758 49.373 38.267 1.00 15.64 C -ATOM 3730 O LYS B 246 68.375 50.400 38.545 1.00 15.71 O -ATOM 3731 CB LYS B 246 65.373 49.511 37.529 1.00 15.92 C -ATOM 3732 CG LYS B 246 65.118 50.836 38.240 1.00 16.62 C -ATOM 3733 CD LYS B 246 63.642 51.046 38.530 1.00 17.48 C -ATOM 3734 CE LYS B 246 63.085 49.956 39.430 1.00 18.01 C -ATOM 3735 NZ LYS B 246 61.637 50.157 39.715 1.00 18.70 N -ATOM 3736 N ALA B 247 67.866 48.252 38.975 1.00 15.93 N -ATOM 3737 CA ALA B 247 68.734 48.170 40.145 1.00 16.40 C -ATOM 3738 C ALA B 247 70.192 48.370 39.738 1.00 16.80 C -ATOM 3739 O ALA B 247 71.029 48.747 40.557 1.00 16.88 O -ATOM 3740 CB ALA B 247 68.560 46.816 40.834 1.00 16.31 C -ATOM 3741 N LEU B 248 70.483 48.121 38.464 1.00 17.28 N -ATOM 3742 CA LEU B 248 71.834 48.264 37.931 1.00 17.84 C -ATOM 3743 C LEU B 248 72.035 49.607 37.233 1.00 18.29 C -ATOM 3744 O LEU B 248 73.097 49.867 36.663 1.00 18.59 O -ATOM 3745 CB LEU B 248 72.137 47.119 36.958 1.00 17.67 C -ATOM 3746 CG LEU B 248 72.381 45.732 37.563 1.00 17.77 C -ATOM 3747 CD1 LEU B 248 71.366 45.439 38.645 1.00 17.97 C -ATOM 3748 CD2 LEU B 248 72.319 44.684 36.466 1.00 17.61 C -ATOM 3749 N GLY B 249 71.008 50.450 37.271 1.00 18.82 N -ATOM 3750 CA GLY B 249 71.101 51.762 36.656 1.00 19.46 C -ATOM 3751 C GLY B 249 70.862 51.800 35.159 1.00 19.88 C -ATOM 3752 O GLY B 249 71.446 52.628 34.456 1.00 20.09 O -ATOM 3753 N HIS B 250 70.002 50.913 34.669 1.00 20.26 N -ATOM 3754 CA HIS B 250 69.685 50.857 33.245 1.00 20.55 C -ATOM 3755 C HIS B 250 68.180 50.857 33.008 1.00 20.75 C -ATOM 3756 O HIS B 250 67.426 50.623 33.976 1.00 20.88 O -ATOM 3757 CB HIS B 250 70.293 49.601 32.620 1.00 20.69 C -ATOM 3758 CG HIS B 250 71.777 49.669 32.442 1.00 20.76 C -ATOM 3759 ND1 HIS B 250 72.373 50.396 31.433 1.00 20.92 N -ATOM 3760 CD2 HIS B 250 72.786 49.099 33.141 1.00 20.86 C -ATOM 3761 CE1 HIS B 250 73.684 50.268 31.517 1.00 20.91 C -ATOM 3762 NE2 HIS B 250 73.961 49.486 32.545 1.00 21.04 N -ATOM 3763 OXT HIS B 250 67.773 51.074 31.846 1.00 21.14 O -TER 3764 HIS B 250 -HETATM 3765 O HOH A 401 50.776 25.390 16.913 1.00 3.19 O -HETATM 3766 O HOH A 402 60.207 30.154 6.348 1.00 5.38 O -HETATM 3767 O HOH A 407 44.833 33.359 -1.695 1.00 5.95 O -HETATM 3768 O HOH A 409 43.572 25.328 15.367 1.00 6.26 O -HETATM 3769 O HOH A 410 53.645 28.023 10.661 1.00 6.73 O -HETATM 3770 O HOH A 415 49.926 34.719 3.095 1.00 6.12 O -HETATM 3771 O HOH A 419 53.837 15.912 -7.172 1.00 6.60 O -HETATM 3772 O HOH A 420 52.280 26.044 12.092 1.00 8.39 O -HETATM 3773 O HOH A 421 53.211 30.153 11.695 1.00 4.93 O -HETATM 3774 O HOH A 422 48.380 11.063 -13.427 1.00 7.84 O -HETATM 3775 O HOH A 424 65.222 38.891 -8.785 1.00 7.25 O -HETATM 3776 O HOH A 426 60.173 32.111 8.415 1.00 8.81 O -HETATM 3777 O HOH A 427 58.637 33.961 -0.018 1.00 6.47 O -HETATM 3778 O HOH A 429 43.633 10.560 1.655 1.00 11.86 O -HETATM 3779 O HOH A 430 42.351 33.330 -5.918 1.00 9.54 O -HETATM 3780 O HOH A 431 52.039 12.655 -4.940 1.00 8.10 O -HETATM 3781 O HOH A 434 41.968 10.282 13.643 1.00 8.65 O -HETATM 3782 O HOH A 435 59.428 14.622 13.134 1.00 9.56 O -HETATM 3783 O HOH A 439 41.728 23.858 5.464 1.00 8.45 O -HETATM 3784 O HOH A 440 57.599 39.723 -3.871 1.00 9.04 O -HETATM 3785 O HOH A 443 54.608 13.531 -5.749 1.00 10.46 O -HETATM 3786 O HOH A 444 35.629 14.556 -10.080 1.00 10.58 O -HETATM 3787 O HOH A 448 53.144 13.933 -9.082 1.00 13.65 O -HETATM 3788 O HOH A 449 48.493 15.696 -19.641 1.00 9.69 O -HETATM 3789 O HOH A 450 63.975 17.062 4.219 1.00 9.77 O -HETATM 3790 O HOH A 451 52.703 12.128 11.958 1.00 7.55 O -HETATM 3791 O HOH A 452 28.724 10.559 11.330 1.00 10.75 O -HETATM 3792 O HOH A 453 52.879 21.664 22.234 1.00 9.28 O -HETATM 3793 O HOH A 455 65.400 22.669 9.848 1.00 11.13 O -HETATM 3794 O HOH A 459 32.743 12.742 -1.213 1.00 10.89 O -HETATM 3795 O HOH A 461 61.192 15.112 -1.498 1.00 13.02 O -HETATM 3796 O HOH A 462 51.033 11.301 -11.744 1.00 12.25 O -HETATM 3797 O HOH A 463 41.639 9.359 16.350 1.00 9.20 O -HETATM 3798 O HOH A 466 54.050 12.627 1.281 1.00 8.99 O -HETATM 3799 O HOH A 467 66.680 29.830 10.038 1.00 12.27 O -HETATM 3800 O HOH A 472 26.500 12.588 -2.849 1.00 11.15 O -HETATM 3801 O HOH A 474 55.475 34.516 0.507 1.00 6.38 O -HETATM 3802 O HOH A 479 48.612 10.669 16.353 1.00 12.49 O -HETATM 3803 O HOH A 480 48.322 10.609 5.655 1.00 13.93 O -HETATM 3804 O HOH A 481 66.759 27.547 -2.549 1.00 13.73 O -HETATM 3805 O HOH A 482 48.973 12.708 18.127 1.00 14.28 O -HETATM 3806 O HOH A 484 26.981 21.450 -2.754 1.00 10.87 O -HETATM 3807 O HOH A 486 22.220 25.702 2.147 1.00 17.93 O -HETATM 3808 O HOH A 487 36.755 28.331 3.058 1.00 10.42 O -HETATM 3809 O HOH A 488 58.237 13.249 -4.058 1.00 12.22 O -HETATM 3810 O HOH A 489 26.342 8.998 4.106 1.00 12.67 O -HETATM 3811 O HOH A 493 46.285 11.604 21.504 1.00 11.30 O -HETATM 3812 O HOH A 494 33.675 27.981 5.141 1.00 12.92 O -HETATM 3813 O HOH A 495 36.663 10.476 7.228 1.00 16.34 O -HETATM 3814 O HOH A 497 52.801 10.633 -1.821 1.00 12.30 O -HETATM 3815 O HOH A 500 59.471 30.271 -5.017 1.00 14.10 O -HETATM 3816 O HOH A 501 47.275 26.718 22.809 1.00 17.09 O -HETATM 3817 O HOH A 502 53.589 30.219 -16.046 1.00 12.53 O -HETATM 3818 O HOH A 503 60.033 15.439 -3.948 1.00 11.03 O -HETATM 3819 O HOH A 507 49.046 29.420 15.871 1.00 12.13 O -HETATM 3820 O HOH A 509 55.721 30.393 11.556 1.00 12.87 O -HETATM 3821 O HOH A 510 36.366 9.717 -0.989 1.00 14.45 O -HETATM 3822 O HOH A 511 50.565 9.437 -2.681 1.00 14.78 O -HETATM 3823 O HOH A 512 65.021 30.925 -9.686 1.00 15.62 O -HETATM 3824 O HOH A 515 40.531 9.507 -8.069 1.00 12.66 O -HETATM 3825 O HOH A 517 58.850 30.023 13.209 1.00 13.55 O -HETATM 3826 O HOH A 520 30.835 19.395 -14.557 1.00 16.12 O -HETATM 3827 O HOH A 523 31.744 25.313 -12.101 1.00 16.07 O -HETATM 3828 O HOH A 525 44.459 38.378 -1.491 1.00 18.54 O -HETATM 3829 O HOH A 526 45.183 32.555 13.383 1.00 17.06 O -HETATM 3830 O HOH A 530 44.329 14.053 28.648 1.00 14.60 O -HETATM 3831 O HOH A 531 35.818 26.684 12.600 1.00 14.24 O -HETATM 3832 O HOH A 533 35.087 25.087 17.274 1.00 17.80 O -HETATM 3833 O HOH A 535 61.522 10.615 2.266 1.00 10.53 O -HETATM 3834 O HOH A 536 40.373 34.848 -9.576 1.00 16.35 O -HETATM 3835 O HOH A 537 36.310 33.371 -10.355 1.00 12.28 O -HETATM 3836 O HOH A 538 34.577 11.579 4.660 1.00 11.98 O -HETATM 3837 O HOH A 539 28.868 19.603 -8.558 1.00 13.62 O -HETATM 3838 O HOH A 540 46.267 30.366 17.374 1.00 15.42 O -HETATM 3839 O HOH A 542 62.779 14.640 8.605 1.00 13.37 O -HETATM 3840 O HOH A 544 64.387 34.806 -2.612 1.00 14.34 O -HETATM 3841 O HOH A 545 48.630 24.666 -17.515 1.00 17.01 O -HETATM 3842 O HOH A 546 51.273 39.559 -9.189 1.00 20.02 O -HETATM 3843 O HOH A 548 49.315 36.031 -16.455 1.00 18.20 O -HETATM 3844 O HOH A 549 39.306 24.702 -18.228 1.00 18.39 O -HETATM 3845 O HOH A 552 68.848 27.923 9.894 1.00 15.23 O -HETATM 3846 O HOH A 553 18.935 12.322 5.845 1.00 18.22 O -HETATM 3847 O HOH A 554 37.913 35.183 0.820 1.00 21.56 O -HETATM 3848 O HOH A 555 45.693 14.730 -17.599 1.00 17.87 O -HETATM 3849 O HOH A 556 45.762 11.190 4.835 1.00 16.65 O -HETATM 3850 O HOH A 557 34.213 21.589 23.527 1.00 18.16 O -HETATM 3851 O HOH A 559 53.735 9.819 10.979 1.00 15.24 O -HETATM 3852 O HOH A 560 26.169 26.194 -7.776 1.00 17.85 O -HETATM 3853 O HOH A 563 42.320 30.241 7.477 1.00 15.41 O -HETATM 3854 O HOH A 564 56.237 12.064 18.385 1.00 18.46 O -HETATM 3855 O HOH A 565 35.974 28.361 -13.376 1.00 19.91 O -HETATM 3856 O HOH A 566 58.155 5.701 8.327 1.00 18.70 O -HETATM 3857 O HOH A 567 61.933 25.639 -9.759 1.00 15.57 O -HETATM 3858 O HOH A 568 55.058 10.622 -3.580 1.00 18.23 O -HETATM 3859 O HOH A 569 64.271 10.841 1.606 1.00 18.12 O -HETATM 3860 O HOH A 574 35.352 12.459 22.119 1.00 15.50 O -HETATM 3861 O HOH A 576 33.716 12.248 -3.779 1.00 18.68 O -HETATM 3862 O HOH A 578 44.604 34.673 -12.205 1.00 15.28 O -HETATM 3863 O HOH A 582 30.962 9.476 6.095 1.00 14.60 O -HETATM 3864 O HOH A 584 60.348 35.938 0.581 1.00 18.35 O -HETATM 3865 O HOH A 585 29.833 10.811 19.738 1.00 21.54 O -HETATM 3866 O HOH A 586 46.863 18.876 21.721 1.00 15.88 O -HETATM 3867 O HOH A 587 67.088 30.090 -3.994 1.00 16.64 O -HETATM 3868 O HOH A 588 46.050 37.001 -15.147 1.00 16.43 O -HETATM 3869 O HOH A 590 38.090 34.647 -2.538 1.00 13.44 O -HETATM 3870 O HOH A 593 42.917 33.937 -10.277 1.00 18.36 O -HETATM 3871 O HOH A 594 65.350 20.770 -0.779 1.00 15.21 O -HETATM 3872 O HOH A 596 34.028 8.025 24.674 1.00 17.82 O -HETATM 3873 O HOH A 598 38.548 15.065 24.352 1.00 17.95 O -HETATM 3874 O HOH A 599 40.661 7.767 6.672 1.00 18.48 O -HETATM 3875 O HOH A 600 27.724 22.148 11.326 1.00 23.24 O -HETATM 3876 O HOH A 603 34.830 35.827 0.029 1.00 20.66 O -HETATM 3877 O HOH A 606 43.816 25.477 25.104 1.00 22.33 O -HETATM 3878 O HOH A 609 50.773 29.608 12.188 1.00 17.89 O -HETATM 3879 O HOH A 610 54.349 16.308 -15.563 1.00 15.50 O -HETATM 3880 O HOH A 612 43.244 26.079 5.585 1.00 23.98 O -HETATM 3881 O HOH A 614 41.362 7.937 25.163 1.00 19.88 O -HETATM 3882 O HOH A 621 50.884 23.378 -16.764 1.00 17.40 O -HETATM 3883 O HOH A 622 37.756 4.693 18.304 1.00 21.86 O -HETATM 3884 O HOH A 623 37.115 21.501 -20.043 1.00 20.22 O -HETATM 3885 O HOH A 626 36.099 26.849 15.440 1.00 18.24 O -HETATM 3886 O HOH A 631 30.485 7.348 2.141 1.00 24.04 O -HETATM 3887 O HOH A 636 34.190 31.184 -4.373 1.00 17.55 O -HETATM 3888 O HOH A 638 59.874 40.399 -10.109 1.00 21.06 O -HETATM 3889 O HOH A 639 49.196 31.694 12.210 1.00 19.52 O -HETATM 3890 O HOH A 644 43.428 22.036 28.153 1.00 25.15 O -HETATM 3891 O HOH A 646 28.050 19.172 12.407 1.00 22.17 O -HETATM 3892 O HOH A 650 37.447 22.924 -8.181 1.00 17.00 O -HETATM 3893 O HOH A 651 49.855 40.832 -5.069 1.00 23.70 O -HETATM 3894 O HOH A 653 37.592 28.167 24.650 1.00 21.66 O -HETATM 3895 O HOH A 654 66.518 21.896 -8.857 1.00 23.49 O -HETATM 3896 O HOH A 655 44.944 40.835 2.805 1.00 19.41 O -HETATM 3897 O HOH A 657 40.026 17.749 -19.294 1.00 21.90 O -HETATM 3898 O HOH A 658 31.092 7.339 12.216 1.00 20.67 O -HETATM 3899 O HOH A 662 35.421 5.677 23.222 1.00 20.80 O -HETATM 3900 O HOH A 663 67.533 22.151 8.223 1.00 19.38 O -HETATM 3901 O HOH A 664 39.527 29.422 11.026 1.00 18.14 O -HETATM 3902 O HOH A 666 36.317 31.984 -1.481 1.00 16.71 O -HETATM 3903 O HOH A 668 56.683 37.742 6.670 1.00 20.65 O -HETATM 3904 O HOH A 670 58.741 35.149 -11.243 1.00 20.28 O -HETATM 3905 O HOH A 671 19.663 13.885 -4.355 1.00 19.88 O -HETATM 3906 O HOH A 672 36.740 30.635 -14.529 1.00 26.09 O -HETATM 3907 O HOH A 673 39.590 22.789 -20.045 1.00 25.83 O -HETATM 3908 O HOH A 674 29.081 14.371 16.964 1.00 23.72 O -HETATM 3909 O HOH A 676 46.458 8.330 11.454 1.00 24.76 O -HETATM 3910 O HOH A 678 57.000 3.618 6.398 1.00 19.17 O -HETATM 3911 O HOH A 682 60.799 35.451 3.670 1.00 17.62 O -HETATM 3912 O HOH A 685 58.299 32.748 -12.573 1.00 23.86 O -HETATM 3913 O HOH A 689 39.175 9.912 28.572 1.00 26.21 O -HETATM 3914 O HOH A 692 30.866 13.454 19.323 1.00 19.45 O -HETATM 3915 O HOH A 696 42.343 7.416 -4.985 1.00 20.82 O -HETATM 3916 O HOH A 698 37.893 6.657 -5.625 1.00 21.30 O -HETATM 3917 O HOH A 702 26.098 19.412 -9.270 1.00 21.97 O -HETATM 3918 O HOH A 703 37.421 31.217 5.150 1.00 20.81 O -HETATM 3919 O HOH A 705 25.169 16.747 -7.992 1.00 25.36 O -HETATM 3920 O HOH A 706 44.987 27.989 23.561 1.00 22.64 O -HETATM 3921 O HOH A 708 56.220 38.902 -10.426 1.00 19.45 O -HETATM 3922 O HOH A 709 56.951 36.455 9.101 1.00 16.09 O -HETATM 3923 O HOH A 712 35.024 27.650 23.570 1.00 30.23 O -HETATM 3924 O HOH A 713 64.498 20.282 10.644 1.00 18.06 O -HETATM 3925 O HOH A 718 38.355 37.984 2.736 1.00 19.21 O -HETATM 3926 O HOH A 719 46.811 21.146 23.223 1.00 21.03 O -HETATM 3927 O HOH A 721 29.338 18.310 -11.009 1.00 19.28 O -HETATM 3928 O HOH A 722 30.425 20.972 18.171 1.00 20.60 O -HETATM 3929 O HOH A 724 47.870 7.998 -3.578 1.00 26.61 O -HETATM 3930 O HOH A 725 51.093 27.355 14.682 1.00 1.50 O -HETATM 3931 O HOH A 727 37.655 28.491 6.366 1.00 11.75 O -HETATM 3932 O HOH A 728 53.356 29.134 14.053 1.00 12.74 O -HETATM 3933 O HOH A 734 49.238 11.657 21.105 1.00 14.83 O -HETATM 3934 O HOH A 736 27.515 6.924 5.589 1.00 16.27 O -HETATM 3935 O HOH A 738 34.261 38.358 0.977 1.00 12.77 O -HETATM 3936 O HOH A 741 53.851 9.996 0.651 1.00 16.80 O -HETATM 3937 O HOH A 742 44.540 9.241 20.731 1.00 16.32 O -HETATM 3938 O HOH A 744 55.391 14.457 -13.962 1.00 18.49 O -HETATM 3939 O HOH A 746 43.285 7.253 16.620 1.00 16.62 O -HETATM 3940 O HOH A 747 60.363 23.565 -10.926 1.00 14.37 O -HETATM 3941 O HOH A 748 34.560 35.488 -9.496 1.00 14.48 O -HETATM 3942 O HOH A 750 49.923 36.854 4.830 1.00 19.45 O -HETATM 3943 O HOH A 751 29.460 7.594 7.477 1.00 17.29 O -HETATM 3944 O HOH A 754 53.190 10.115 -5.704 1.00 18.03 O -HETATM 3945 O HOH A 755 42.981 9.332 -9.726 1.00 17.72 O -HETATM 3946 O HOH A 760 59.273 24.757 -13.202 1.00 20.32 O -HETATM 3947 O HOH A 762 58.267 41.107 -6.138 1.00 19.62 O -HETATM 3948 O HOH A 767 59.081 36.721 10.829 1.00 23.16 O -HETATM 3949 O HOH A 768 58.432 11.703 16.623 1.00 19.58 O -HETATM 3950 O HOH A 769 66.168 18.829 4.011 1.00 20.06 O -HETATM 3951 O HOH A 771 30.800 10.917 -1.779 1.00 17.64 O -HETATM 3952 O HOH A 773 64.400 15.504 6.467 1.00 21.40 O -HETATM 3953 O HOH A 774 34.612 11.217 0.523 1.00 20.31 O -HETATM 3954 O HOH A 776 40.359 24.734 26.334 1.00 21.91 O -HETATM 3955 O HOH A 781 55.520 32.090 -16.457 1.00 21.25 O -HETATM 3956 O HOH A 782 60.261 14.418 10.440 1.00 19.85 O -HETATM 3957 O HOH A 783 47.711 8.343 18.042 1.00 21.05 O -HETATM 3958 O HOH A 784 36.787 10.058 4.187 1.00 24.42 O -HETATM 3959 O HOH A 788 58.401 12.215 14.006 1.00 22.91 O -HETATM 3960 O HOH A 791 41.230 28.908 -17.419 1.00 25.14 O -HETATM 3961 O HOH A 792 66.102 20.566 -3.556 1.00 24.89 O -HETATM 3962 O HOH A 793 51.703 30.520 -18.250 1.00 23.94 O -HETATM 3963 O HOH A 797 33.607 26.338 19.296 1.00 23.38 O -HETATM 3964 O HOH A 798 65.551 17.932 -0.032 1.00 25.03 O -HETATM 3965 O HOH A 801 38.433 26.561 -19.953 1.00 23.97 O -HETATM 3966 O HOH A 803 61.269 36.448 9.227 1.00 19.99 O -HETATM 3967 O HOH A 804 27.431 15.376 -7.235 1.00 23.17 O -HETATM 3968 O HOH A 810 33.071 23.673 16.015 1.00 20.31 O -HETATM 3969 O HOH A 811 33.981 25.778 21.926 1.00 22.26 O -HETATM 3970 O HOH A 812 57.048 12.595 -6.554 1.00 23.65 O -HETATM 3971 O HOH A 813 46.824 23.625 26.175 1.00 25.02 O -HETATM 3972 O HOH A 817 36.739 29.349 12.248 1.00 22.60 O -HETATM 3973 O HOH A 818 46.577 29.988 22.008 1.00 24.17 O -HETATM 3974 O HOH A 819 54.210 39.891 -8.857 1.00 19.93 O -HETATM 3975 O HOH A 820 59.032 11.602 -1.727 1.00 24.94 O -HETATM 3976 O HOH A 821 62.637 34.277 5.387 1.00 22.50 O -HETATM 3977 O HOH A 822 40.078 3.389 17.769 1.00 25.94 O -HETATM 3978 O HOH A 826 43.553 38.093 -10.575 1.00 23.75 O -HETATM 3979 O HOH A 827 56.702 6.949 1.983 1.00 25.31 O -HETATM 3980 O HOH A 830 49.385 9.076 3.501 1.00 23.59 O -HETATM 3981 O HOH A 831 30.540 23.626 17.145 1.00 27.56 O -HETATM 3982 O HOH A 832 33.273 25.534 12.243 1.00 23.00 O -HETATM 3983 O HOH A 833 55.239 41.064 -3.415 1.00 24.19 O -HETATM 3984 O HOH A 834 42.955 35.032 -14.581 1.00 23.22 O -HETATM 3985 O HOH A 835 60.314 28.660 -15.613 1.00 23.80 O -HETATM 3986 O HOH A 837 51.924 21.701 -18.725 1.00 28.92 O -HETATM 3987 O HOH A 838 56.557 17.541 -16.636 1.00 24.75 O -HETATM 3988 O HOH A 839 29.698 25.324 9.801 1.00 24.38 O -HETATM 3989 O HOH A 840 33.035 8.803 4.367 1.00 25.84 O -HETATM 3990 O HOH A 841 45.345 24.737 -19.982 1.00 27.06 O -HETATM 3991 O HOH A 846 46.853 23.934 23.465 1.00 24.82 O -HETATM 3992 O HOH A 847 39.197 7.511 -9.775 1.00 23.69 O -HETATM 3993 O HOH A 848 38.176 29.653 17.288 1.00 22.19 O -HETATM 3994 O HOH A 849 31.982 6.734 20.767 1.00 26.27 O -HETATM 3995 O HOH A 850 18.693 21.973 -0.885 1.00 24.78 O -HETATM 3996 O HOH A 851 27.848 17.261 15.322 1.00 23.10 O -HETATM 3997 O HOH A 852 50.862 41.599 -7.450 1.00 25.06 O -HETATM 3998 O HOH A 854 30.506 11.816 -8.825 1.00 24.83 O -HETATM 3999 O HOH A 858 25.835 30.995 -2.625 1.00 26.08 O -HETATM 4000 O HOH A 859 28.572 8.699 13.329 1.00 26.86 O -HETATM 4001 O HOH A 860 67.997 25.976 11.648 1.00 23.86 O -HETATM 4002 O HOH A 863 45.303 37.685 8.400 1.00 24.48 O -HETATM 4003 O HOH A 864 27.520 11.977 -5.284 1.00 27.78 O -HETATM 4004 O HOH A 866 66.331 28.886 3.049 1.00 22.16 O -HETATM 4005 O HOH A 867 48.631 34.067 -18.873 1.00 26.19 O -HETATM 4006 O HOH A 868 45.122 9.514 6.951 1.00 29.12 O -HETATM 4007 O HOH A 869 65.646 36.660 -10.497 1.00 25.07 O -HETATM 4008 O HOH A 870 64.022 14.404 -1.851 1.00 24.20 O -HETATM 4009 O HOH A 873 69.299 24.678 -4.957 1.00 27.37 O -HETATM 4010 O HOH A 877 46.750 11.435 -17.201 1.00 29.70 O -HETATM 4011 O HOH A 879 43.641 35.038 -7.648 1.00 27.65 O -HETATM 4012 O HOH A 885 20.546 27.327 -4.648 1.00 27.97 O -HETATM 4013 O HOH A 888 47.538 9.322 -15.398 1.00 24.90 O -HETATM 4014 O HOH A 889 14.269 17.507 6.572 1.00 28.01 O -HETATM 4015 O HOH A 890 30.941 17.560 -16.709 1.00 22.28 O -HETATM 4016 O HOH A 891 49.644 26.189 -19.669 1.00 26.33 O -HETATM 4017 O HOH A 892 26.733 28.523 6.864 1.00 26.96 O -HETATM 4018 O HOH A 894 35.616 20.443 26.299 1.00 26.47 O -HETATM 4019 O HOH A 896 55.975 4.473 2.690 1.00 25.60 O -HETATM 4020 O HOH A 898 31.036 35.336 0.206 1.00 27.54 O -HETATM 4021 O HOH A 904 28.592 19.077 17.358 1.00 28.23 O -HETATM 4022 O HOH A 907 43.221 7.641 5.310 1.00 28.73 O -HETATM 4023 O HOH A 908 45.858 19.143 -21.694 1.00 26.47 O -HETATM 4024 O HOH A 910 64.266 21.916 -10.473 1.00 28.70 O -HETATM 4025 O HOH A 911 19.732 10.838 7.980 1.00 27.07 O -HETATM 4026 O HOH A 913 34.487 32.345 -12.229 1.00 30.12 O -HETATM 4027 O HOH A 914 23.636 27.660 0.887 1.00 30.17 O -HETATM 4028 O HOH A 915 37.293 10.094 -13.066 1.00 30.36 O -HETATM 4029 O HOH A 916 43.960 9.697 -14.406 1.00 32.00 O -HETATM 4030 O HOH A 917 42.123 34.905 14.493 1.00 26.72 O -HETATM 4031 O HOH A 920 39.606 36.305 -11.836 1.00 29.33 O -HETATM 4032 O HOH A 924 34.841 9.314 -14.160 1.00 28.16 O -HETATM 4033 O HOH A 926 37.118 18.828 -19.972 1.00 27.65 O -HETATM 4034 O HOH A 927 63.880 36.802 10.268 1.00 27.95 O -HETATM 4035 O HOH A 928 64.243 28.261 -13.325 1.00 30.10 O -HETATM 4036 O HOH A 929 31.956 11.844 -15.764 1.00 26.86 O -HETATM 4037 O HOH A 930 30.147 20.484 20.857 1.00 28.80 O -HETATM 4038 O HOH A 934 21.609 21.785 -8.516 1.00 28.90 O -HETATM 4039 O HOH A 937 41.640 8.462 0.850 1.00 25.97 O -HETATM 4040 O HOH A 941 61.978 11.003 -1.053 1.00 34.59 O -HETATM 4041 O HOH A 942 34.410 31.418 5.214 1.00 31.59 O -HETATM 4042 O HOH A 946 18.188 14.582 3.296 1.00 30.26 O -HETATM 4043 O HOH A 947 47.903 37.632 6.457 1.00 27.45 O -HETATM 4044 O HOH A 950 66.564 22.701 5.511 1.00 30.53 O -HETATM 4045 O HOH A 954 49.283 34.351 12.431 1.00 28.97 O -HETATM 4046 O HOH A 955 41.117 28.123 6.277 1.00 26.91 O -HETATM 4047 O HOH A 956 42.137 15.628 27.922 1.00 27.92 O -HETATM 4048 O HOH A 957 22.925 23.756 9.478 1.00 22.73 O -HETATM 4049 O HOH A 958 33.227 5.712 12.495 1.00 27.65 O -HETATM 4050 O HOH A 959 41.426 12.008 -14.860 1.00 30.21 O -HETATM 4051 O HOH A 960 65.355 33.004 4.496 1.00 30.28 O -HETATM 4052 O HOH A 963 56.595 6.644 10.967 1.00 27.07 O -HETATM 4053 O HOH A 966 39.089 27.271 27.167 1.00 29.82 O -HETATM 4054 O HOH A 968 45.953 7.703 14.053 1.00 25.66 O -HETATM 4055 O HOH A 969 29.406 17.256 -6.917 1.00 27.17 O -HETATM 4056 O HOH A 973 26.163 17.408 13.125 1.00 28.06 O -HETATM 4057 O HOH A 975 32.138 14.961 -16.744 1.00 30.88 O -HETATM 4058 O HOH A 976 39.436 15.826 26.754 1.00 31.01 O -HETATM 4059 O HOH A 977 40.857 33.975 12.084 1.00 24.59 O -HETATM 4060 O HOH A 978 27.267 30.198 4.538 1.00 26.58 O -HETATM 4061 O HOH A 979 68.151 19.431 8.288 1.00 29.52 O -HETATM 4062 O HOH A 981 51.931 34.935 11.835 1.00 27.48 O -HETATM 4063 O HOH A 982 51.754 39.525 -0.619 1.00 29.50 O -HETATM 4064 O HOH A 984 48.952 35.828 15.162 1.00 32.63 O -HETATM 4065 O HOH A 987 62.442 33.957 -12.987 1.00 29.46 O -HETATM 4066 O HOH A 988 55.773 33.000 -13.776 1.00 29.14 O -HETATM 4067 O HOH A 990 14.061 19.521 0.502 1.00 36.80 O -HETATM 4068 O HOH A 996 31.830 30.604 -5.991 1.00 25.93 O -HETATM 4069 O HOH A 997 66.974 22.300 1.041 1.00 29.86 O -HETATM 4070 O HOH A 999 32.174 19.989 22.745 1.00 28.47 O -HETATM 4071 O HOH A1003 37.924 8.149 2.478 1.00 29.78 O -HETATM 4072 O HOH A1004 56.639 24.112 -15.315 1.00 31.18 O -HETATM 4073 O HOH A1005 51.465 35.587 -4.278 1.00 41.09 O -HETATM 4074 O HOH A1006 43.341 8.854 10.402 1.00 29.04 O -HETATM 4075 O HOH A1008 50.054 9.954 11.401 1.00 26.69 O -HETATM 4076 O HOH A1009 29.616 14.718 21.597 1.00 32.73 O -HETATM 4077 O HOH A1012 47.491 8.124 6.835 1.00 28.82 O -HETATM 4078 O HOH A1013 65.922 30.903 0.818 1.00 27.14 O -HETATM 4079 O HOH A1014 39.782 37.442 5.163 1.00 30.08 O -HETATM 4080 O HOH A1019 29.325 14.200 -10.508 1.00 28.79 O -HETATM 4081 O HOH A1020 40.433 34.899 16.692 1.00 31.50 O -HETATM 4082 O HOH A1021 39.124 33.335 5.695 1.00 29.69 O -HETATM 4083 O HOH A1025 46.099 7.721 -5.893 1.00 30.43 O -HETATM 4084 O HOH A1026 43.164 14.531 -16.892 1.00 37.45 O -HETATM 4085 O HOH A1027 51.632 7.720 -5.231 1.00 26.40 O -HETATM 4086 O HOH A1029 66.070 28.942 -11.321 1.00 28.48 O -HETATM 4087 O HOH B 400 52.988 26.125 20.360 1.00 3.11 O -HETATM 4088 O HOH B 403 52.517 26.764 41.372 1.00 5.11 O -HETATM 4089 O HOH B 404 48.503 23.956 36.224 1.00 5.90 O -HETATM 4090 O HOH B 405 47.892 17.910 37.035 1.00 7.19 O -HETATM 4091 O HOH B 406 55.654 27.737 13.994 1.00 6.20 O -HETATM 4092 O HOH B 408 48.880 14.745 29.033 1.00 7.01 O -HETATM 4093 O HOH B 411 53.065 24.240 18.189 1.00 5.49 O -HETATM 4094 O HOH B 412 55.562 32.204 23.547 1.00 6.15 O -HETATM 4095 O HOH B 413 54.436 25.246 13.712 1.00 8.68 O -HETATM 4096 O HOH B 414 51.596 21.885 26.167 1.00 6.52 O -HETATM 4097 O HOH B 416 54.290 27.786 45.833 1.00 7.58 O -HETATM 4098 O HOH B 417 53.302 23.235 24.513 1.00 7.15 O -HETATM 4099 O HOH B 418 70.307 30.239 20.347 1.00 7.24 O -HETATM 4100 O HOH B 423 70.495 15.329 35.365 1.00 9.36 O -HETATM 4101 O HOH B 425 52.035 11.514 39.440 1.00 8.02 O -HETATM 4102 O HOH B 428 66.084 20.220 19.636 1.00 7.70 O -HETATM 4103 O HOH B 432 60.143 30.357 32.398 1.00 8.87 O -HETATM 4104 O HOH B 433 47.610 14.708 36.470 1.00 6.44 O -HETATM 4105 O HOH B 436 47.785 27.930 43.127 1.00 9.41 O -HETATM 4106 O HOH B 437 74.682 29.073 44.821 1.00 10.21 O -HETATM 4107 O HOH B 438 48.131 7.590 31.672 1.00 8.90 O -HETATM 4108 O HOH B 441 67.522 13.514 38.034 1.00 7.50 O -HETATM 4109 O HOH B 442 46.571 15.732 27.893 1.00 8.61 O -HETATM 4110 O HOH B 445 70.492 31.159 17.681 1.00 8.04 O -HETATM 4111 O HOH B 446 50.222 20.939 22.449 1.00 8.64 O -HETATM 4112 O HOH B 447 49.427 7.533 29.290 1.00 9.46 O -HETATM 4113 O HOH B 454 65.831 29.120 12.645 1.00 8.89 O -HETATM 4114 O HOH B 456 58.067 35.033 37.403 1.00 10.52 O -HETATM 4115 O HOH B 457 44.918 27.985 40.788 1.00 9.36 O -HETATM 4116 O HOH B 458 67.432 25.076 16.240 1.00 12.73 O -HETATM 4117 O HOH B 460 77.246 24.189 40.309 1.00 16.05 O -HETATM 4118 O HOH B 464 69.086 42.901 19.094 1.00 13.88 O -HETATM 4119 O HOH B 465 62.159 34.092 8.051 1.00 11.33 O -HETATM 4120 O HOH B 468 45.817 31.623 34.297 1.00 10.85 O -HETATM 4121 O HOH B 469 73.395 33.087 27.495 1.00 10.52 O -HETATM 4122 O HOH B 470 58.770 38.548 36.155 1.00 11.32 O -HETATM 4123 O HOH B 471 71.563 44.107 18.867 1.00 15.90 O -HETATM 4124 O HOH B 473 68.729 40.811 42.833 1.00 10.04 O -HETATM 4125 O HOH B 475 57.362 32.204 51.544 1.00 12.33 O -HETATM 4126 O HOH B 476 61.528 14.826 17.730 1.00 11.65 O -HETATM 4127 O HOH B 477 70.085 13.131 39.183 1.00 12.81 O -HETATM 4128 O HOH B 478 51.103 31.706 16.583 1.00 13.51 O -HETATM 4129 O HOH B 483 71.043 12.622 32.730 1.00 18.91 O -HETATM 4130 O HOH B 485 68.124 18.353 19.366 1.00 11.95 O -HETATM 4131 O HOH B 490 76.668 26.490 33.793 1.00 15.74 O -HETATM 4132 O HOH B 491 68.299 15.620 29.207 1.00 11.19 O -HETATM 4133 O HOH B 492 49.402 22.983 25.958 1.00 8.96 O -HETATM 4134 O HOH B 496 44.796 9.867 30.531 1.00 13.89 O -HETATM 4135 O HOH B 498 46.567 7.156 34.939 1.00 16.75 O -HETATM 4136 O HOH B 499 72.821 32.935 51.853 1.00 14.66 O -HETATM 4137 O HOH B 504 57.635 38.785 28.348 1.00 15.55 O -HETATM 4138 O HOH B 505 77.306 39.555 40.136 1.00 13.94 O -HETATM 4139 O HOH B 506 60.651 8.273 25.371 1.00 13.12 O -HETATM 4140 O HOH B 508 54.815 1.563 34.495 1.00 14.15 O -HETATM 4141 O HOH B 513 69.059 12.791 35.809 1.00 14.67 O -HETATM 4142 O HOH B 514 75.077 15.364 43.346 1.00 14.40 O -HETATM 4143 O HOH B 516 48.534 20.593 25.690 1.00 14.14 O -HETATM 4144 O HOH B 518 64.680 12.270 20.782 1.00 12.12 O -HETATM 4145 O HOH B 519 43.609 15.123 42.109 1.00 12.72 O -HETATM 4146 O HOH B 521 68.892 44.045 21.656 1.00 16.11 O -HETATM 4147 O HOH B 522 53.453 33.121 43.966 1.00 12.65 O -HETATM 4148 O HOH B 524 53.260 9.841 21.807 1.00 11.39 O -HETATM 4149 O HOH B 527 70.819 24.202 27.247 1.00 17.39 O -HETATM 4150 O HOH B 528 46.039 9.924 23.915 1.00 13.27 O -HETATM 4151 O HOH B 529 74.313 41.719 25.823 1.00 13.63 O -HETATM 4152 O HOH B 532 64.687 47.454 41.042 1.00 18.66 O -HETATM 4153 O HOH B 534 58.299 5.946 30.905 1.00 12.67 O -HETATM 4154 O HOH B 541 57.898 40.835 23.832 1.00 18.40 O -HETATM 4155 O HOH B 543 74.900 34.374 36.924 1.00 14.79 O -HETATM 4156 O HOH B 547 67.911 9.951 33.200 1.00 17.49 O -HETATM 4157 O HOH B 550 65.979 34.050 51.259 1.00 15.39 O -HETATM 4158 O HOH B 551 54.325 29.169 50.111 1.00 15.12 O -HETATM 4159 O HOH B 558 57.124 13.450 50.791 1.00 16.71 O -HETATM 4160 O HOH B 561 74.627 31.709 30.028 1.00 19.95 O -HETATM 4161 O HOH B 562 67.616 8.469 25.904 1.00 18.30 O -HETATM 4162 O HOH B 570 57.808 29.334 32.760 1.00 16.60 O -HETATM 4163 O HOH B 571 62.514 29.998 52.485 1.00 17.15 O -HETATM 4164 O HOH B 572 64.090 37.733 13.057 1.00 11.78 O -HETATM 4165 O HOH B 573 54.282 23.763 51.560 1.00 16.61 O -HETATM 4166 O HOH B 575 52.779 18.256 54.627 1.00 17.35 O -HETATM 4167 O HOH B 577 54.984 26.050 50.001 1.00 19.25 O -HETATM 4168 O HOH B 579 64.798 25.858 15.155 1.00 16.19 O -HETATM 4169 O HOH B 580 49.955 28.010 23.248 1.00 18.67 O -HETATM 4170 O HOH B 581 52.514 35.356 14.885 1.00 15.42 O -HETATM 4171 O HOH B 583 68.025 39.334 14.965 1.00 15.61 O -HETATM 4172 O HOH B 589 61.288 20.244 53.412 1.00 21.86 O -HETATM 4173 O HOH B 591 55.605 10.335 20.457 1.00 19.56 O -HETATM 4174 O HOH B 592 56.509 31.019 14.283 1.00 11.80 O -HETATM 4175 O HOH B 595 61.951 10.280 20.980 1.00 23.64 O -HETATM 4176 O HOH B 597 73.222 35.341 48.412 1.00 18.21 O -HETATM 4177 O HOH B 601 71.333 15.341 31.747 1.00 18.60 O -HETATM 4178 O HOH B 602 43.190 19.628 29.359 1.00 19.62 O -HETATM 4179 O HOH B 604 44.047 8.822 33.475 1.00 16.86 O -HETATM 4180 O HOH B 605 48.686 27.441 47.400 1.00 15.82 O -HETATM 4181 O HOH B 607 74.752 35.785 12.686 1.00 17.06 O -HETATM 4182 O HOH B 608 66.051 29.435 45.484 1.00 14.57 O -HETATM 4183 O HOH B 611 57.269 7.202 46.835 1.00 19.88 O -HETATM 4184 O HOH B 613 70.404 21.783 25.868 1.00 18.01 O -HETATM 4185 O HOH B 615 59.428 45.372 36.350 1.00 22.20 O -HETATM 4186 O HOH B 616 62.570 45.313 19.833 1.00 21.88 O -HETATM 4187 O HOH B 617 77.199 40.176 47.712 1.00 26.36 O -HETATM 4188 O HOH B 618 71.500 36.799 46.946 1.00 17.02 O -HETATM 4189 O HOH B 619 73.205 22.306 52.718 1.00 21.75 O -HETATM 4190 O HOH B 620 66.008 40.964 48.960 1.00 18.16 O -HETATM 4191 O HOH B 624 54.271 35.391 30.052 1.00 15.97 O -HETATM 4192 O HOH B 625 78.331 45.103 42.672 1.00 13.12 O -HETATM 4193 O HOH B 627 74.968 39.835 46.377 1.00 23.69 O -HETATM 4194 O HOH B 628 52.721 21.843 54.545 1.00 18.16 O -HETATM 4195 O HOH B 629 73.626 17.092 49.127 1.00 19.64 O -HETATM 4196 O HOH B 630 47.605 34.542 28.556 1.00 23.20 O -HETATM 4197 O HOH B 632 79.558 29.786 50.039 1.00 22.96 O -HETATM 4198 O HOH B 633 73.871 47.187 45.569 1.00 19.71 O -HETATM 4199 O HOH B 634 66.722 38.549 12.777 1.00 21.39 O -HETATM 4200 O HOH B 635 45.053 27.766 35.941 1.00 21.35 O -HETATM 4201 O HOH B 637 65.892 41.004 14.733 1.00 18.07 O -HETATM 4202 O HOH B 640 65.461 8.782 33.297 1.00 18.19 O -HETATM 4203 O HOH B 641 54.822 36.183 11.123 1.00 19.57 O -HETATM 4204 O HOH B 642 53.503 32.500 12.381 1.00 17.86 O -HETATM 4205 O HOH B 643 76.355 37.924 29.404 1.00 21.07 O -HETATM 4206 O HOH B 645 53.622 31.529 32.456 1.00 14.31 O -HETATM 4207 O HOH B 647 56.834 36.376 34.931 1.00 24.05 O -HETATM 4208 O HOH B 648 46.949 19.311 48.405 1.00 19.94 O -HETATM 4209 O HOH B 649 75.399 34.233 15.682 1.00 18.03 O -HETATM 4210 O HOH B 652 72.685 39.245 48.146 1.00 21.23 O -HETATM 4211 O HOH B 656 50.381 34.283 16.821 1.00 21.60 O -HETATM 4212 O HOH B 659 65.265 52.315 32.428 1.00 29.39 O -HETATM 4213 O HOH B 660 44.652 14.236 33.214 1.00 20.41 O -HETATM 4214 O HOH B 661 43.167 19.342 32.779 1.00 21.90 O -HETATM 4215 O HOH B 665 54.270 3.750 31.334 1.00 19.38 O -HETATM 4216 O HOH B 667 57.960 34.051 11.683 1.00 17.40 O -HETATM 4217 O HOH B 669 76.586 30.550 34.692 1.00 20.36 O -HETATM 4218 O HOH B 675 52.485 34.312 34.915 1.00 15.05 O -HETATM 4219 O HOH B 677 47.861 7.602 26.914 1.00 17.57 O -HETATM 4220 O HOH B 679 60.439 26.190 53.359 1.00 17.55 O -HETATM 4221 O HOH B 680 72.755 45.975 48.870 1.00 19.71 O -HETATM 4222 O HOH B 681 73.991 13.536 41.301 1.00 15.51 O -HETATM 4223 O HOH B 683 76.714 43.994 39.914 1.00 22.31 O -HETATM 4224 O HOH B 684 62.619 44.468 22.479 1.00 19.37 O -HETATM 4225 O HOH B 686 67.030 44.363 27.549 1.00 21.62 O -HETATM 4226 O HOH B 687 71.361 43.917 49.681 1.00 22.96 O -HETATM 4227 O HOH B 688 75.585 32.551 38.834 1.00 22.57 O -HETATM 4228 O HOH B 690 56.340 34.578 43.050 1.00 15.49 O -HETATM 4229 O HOH B 691 64.503 49.033 33.630 1.00 20.47 O -HETATM 4230 O HOH B 693 52.370 41.487 17.730 1.00 22.14 O -HETATM 4231 O HOH B 694 77.328 39.536 19.304 1.00 22.06 O -HETATM 4232 O HOH B 695 80.613 28.371 39.434 1.00 28.63 O -HETATM 4233 O HOH B 697 71.262 20.208 21.526 1.00 27.89 O -HETATM 4234 O HOH B 699 71.886 22.155 50.306 1.00 35.35 O -HETATM 4235 O HOH B 700 78.026 23.538 35.976 1.00 22.92 O -HETATM 4236 O HOH B 701 45.260 7.907 38.520 1.00 22.81 O -HETATM 4237 O HOH B 704 54.999 40.471 32.148 1.00 22.14 O -HETATM 4238 O HOH B 707 47.239 7.762 22.818 1.00 20.90 O -HETATM 4239 O HOH B 710 49.251 39.202 27.308 1.00 26.21 O -HETATM 4240 O HOH B 711 71.175 28.159 11.462 1.00 22.98 O -HETATM 4241 O HOH B 714 73.701 34.332 30.761 1.00 19.86 O -HETATM 4242 O HOH B 715 67.898 9.827 38.284 1.00 26.52 O -HETATM 4243 O HOH B 716 63.584 19.321 12.960 1.00 23.24 O -HETATM 4244 O HOH B 717 65.869 5.421 29.859 1.00 29.67 O -HETATM 4245 O HOH B 720 44.388 20.867 47.817 1.00 29.15 O -HETATM 4246 O HOH B 723 53.672 7.347 22.785 1.00 21.59 O -HETATM 4247 O HOH B 726 51.783 25.401 22.934 1.00 4.29 O -HETATM 4248 O HOH B 729 42.300 9.946 31.663 1.00 20.15 O -HETATM 4249 O HOH B 730 45.559 7.250 30.521 1.00 12.62 O -HETATM 4250 O HOH B 731 64.937 26.343 12.380 1.00 14.77 O -HETATM 4251 O HOH B 732 68.562 29.867 12.941 1.00 12.21 O -HETATM 4252 O HOH B 733 49.574 23.526 23.424 1.00 19.79 O -HETATM 4253 O HOH B 735 58.972 31.785 10.836 1.00 15.79 O -HETATM 4254 O HOH B 737 71.971 29.286 16.297 1.00 17.10 O -HETATM 4255 O HOH B 739 59.217 31.996 53.563 1.00 15.94 O -HETATM 4256 O HOH B 740 70.525 28.239 14.068 1.00 14.33 O -HETATM 4257 O HOH B 743 77.240 38.336 37.667 1.00 18.40 O -HETATM 4258 O HOH B 745 46.333 25.236 35.152 1.00 18.00 O -HETATM 4259 O HOH B 749 45.704 6.247 27.952 1.00 17.87 O -HETATM 4260 O HOH B 752 74.808 27.519 29.664 1.00 30.63 O -HETATM 4261 O HOH B 753 69.190 31.397 10.711 1.00 19.32 O -HETATM 4262 O HOH B 756 62.249 12.975 19.674 1.00 16.23 O -HETATM 4263 O HOH B 757 77.295 35.589 37.365 1.00 20.11 O -HETATM 4264 O HOH B 758 76.195 31.666 15.032 1.00 20.96 O -HETATM 4265 O HOH B 759 78.772 42.039 40.309 1.00 19.08 O -HETATM 4266 O HOH B 761 63.706 15.767 16.163 1.00 19.13 O -HETATM 4267 O HOH B 763 70.852 14.899 28.881 1.00 21.18 O -HETATM 4268 O HOH B 764 77.199 21.281 41.218 1.00 21.10 O -HETATM 4269 O HOH B 765 67.499 36.246 52.310 1.00 21.01 O -HETATM 4270 O HOH B 766 45.593 17.607 25.943 1.00 19.63 O -HETATM 4271 O HOH B 770 59.327 42.758 16.981 1.00 20.86 O -HETATM 4272 O HOH B 772 51.060 5.489 28.438 1.00 18.69 O -HETATM 4273 O HOH B 775 71.129 23.010 54.292 1.00 20.31 O -HETATM 4274 O HOH B 777 55.284 -0.073 32.448 1.00 27.20 O -HETATM 4275 O HOH B 778 60.991 28.680 54.512 1.00 20.56 O -HETATM 4276 O HOH B 779 69.837 10.713 40.674 1.00 21.64 O -HETATM 4277 O HOH B 780 72.237 19.960 27.081 1.00 24.12 O -HETATM 4278 O HOH B 785 54.191 38.382 42.447 1.00 21.32 O -HETATM 4279 O HOH B 786 66.933 43.551 14.420 1.00 20.68 O -HETATM 4280 O HOH B 787 69.429 25.728 14.398 1.00 21.10 O -HETATM 4281 O HOH B 789 42.686 7.886 27.632 1.00 22.08 O -HETATM 4282 O HOH B 790 45.652 16.925 47.523 1.00 24.74 O -HETATM 4283 O HOH B 794 63.475 16.615 13.605 1.00 25.87 O -HETATM 4284 O HOH B 795 77.198 46.030 38.154 1.00 21.16 O -HETATM 4285 O HOH B 796 65.170 45.532 23.534 1.00 20.93 O -HETATM 4286 O HOH B 799 70.912 25.452 55.529 1.00 21.45 O -HETATM 4287 O HOH B 800 48.893 31.393 27.414 1.00 22.11 O -HETATM 4288 O HOH B 802 67.686 44.961 24.903 1.00 21.21 O -HETATM 4289 O HOH B 805 57.802 14.508 53.444 1.00 26.13 O -HETATM 4290 O HOH B 806 50.950 41.185 28.240 1.00 21.92 O -HETATM 4291 O HOH B 807 51.896 27.531 47.680 1.00 21.94 O -HETATM 4292 O HOH B 808 53.476 31.629 15.157 1.00 21.16 O -HETATM 4293 O HOH B 809 44.038 10.308 27.999 1.00 25.42 O -HETATM 4294 O HOH B 814 52.484 36.261 9.366 1.00 20.97 O -HETATM 4295 O HOH B 815 70.308 9.211 25.202 1.00 23.35 O -HETATM 4296 O HOH B 816 52.179 3.443 29.771 1.00 19.10 O -HETATM 4297 O HOH B 823 75.944 25.474 31.313 1.00 26.01 O -HETATM 4298 O HOH B 824 51.516 30.318 49.535 1.00 23.10 O -HETATM 4299 O HOH B 825 43.762 8.179 23.349 1.00 25.71 O -HETATM 4300 O HOH B 828 64.784 17.712 55.290 1.00 26.97 O -HETATM 4301 O HOH B 829 59.323 8.245 45.207 1.00 26.59 O -HETATM 4302 O HOH B 836 43.878 26.740 38.548 1.00 22.25 O -HETATM 4303 O HOH B 842 56.345 31.751 33.191 1.00 22.63 O -HETATM 4304 O HOH B 843 51.980 33.302 31.376 1.00 24.22 O -HETATM 4305 O HOH B 844 66.060 6.500 39.685 1.00 27.74 O -HETATM 4306 O HOH B 845 49.057 27.129 27.362 1.00 23.34 O -HETATM 4307 O HOH B 853 69.664 15.751 54.562 1.00 24.14 O -HETATM 4308 O HOH B 855 46.563 28.140 45.664 1.00 24.49 O -HETATM 4309 O HOH B 856 43.834 12.484 31.270 1.00 22.41 O -HETATM 4310 O HOH B 857 58.704 2.440 38.290 1.00 23.70 O -HETATM 4311 O HOH B 861 55.631 5.275 29.479 1.00 25.60 O -HETATM 4312 O HOH B 862 62.708 46.108 42.478 1.00 26.97 O -HETATM 4313 O HOH B 865 46.178 9.825 37.057 1.00 35.81 O -HETATM 4314 O HOH B 871 72.664 13.683 35.046 1.00 26.30 O -HETATM 4315 O HOH B 872 77.587 22.398 47.062 1.00 27.70 O -HETATM 4316 O HOH B 874 73.261 17.018 32.654 1.00 22.54 O -HETATM 4317 O HOH B 875 61.147 23.922 54.561 1.00 25.41 O -HETATM 4318 O HOH B 876 58.527 35.547 44.245 1.00 19.72 O -HETATM 4319 O HOH B 878 53.929 38.261 29.554 1.00 29.32 O -HETATM 4320 O HOH B 880 66.724 24.783 54.716 1.00 22.77 O -HETATM 4321 O HOH B 881 55.151 24.754 54.163 1.00 27.77 O -HETATM 4322 O HOH B 882 64.499 9.544 20.670 1.00 26.66 O -HETATM 4323 O HOH B 883 44.718 26.401 44.399 1.00 24.04 O -HETATM 4324 O HOH B 884 54.764 30.997 52.012 1.00 29.50 O -HETATM 4325 O HOH B 886 64.768 9.468 47.867 1.00 26.71 O -HETATM 4326 O HOH B 887 65.070 7.186 35.711 1.00 25.91 O -HETATM 4327 O HOH B 893 75.476 42.943 23.711 1.00 25.95 O -HETATM 4328 O HOH B 895 68.865 9.640 30.628 1.00 29.43 O -HETATM 4329 O HOH B 897 75.176 46.379 49.946 1.00 28.30 O -HETATM 4330 O HOH B 899 43.034 8.944 39.925 1.00 24.50 O -HETATM 4331 O HOH B 900 48.807 32.553 18.671 1.00 32.79 O -HETATM 4332 O HOH B 901 49.369 11.127 47.157 1.00 24.84 O -HETATM 4333 O HOH B 902 60.943 47.560 37.127 1.00 29.42 O -HETATM 4334 O HOH B 903 72.309 24.979 25.213 1.00 35.30 O -HETATM 4335 O HOH B 905 59.642 40.676 28.678 1.00 29.98 O -HETATM 4336 O HOH B 906 75.155 27.737 54.821 1.00 24.29 O -HETATM 4337 O HOH B 909 63.813 40.509 13.088 1.00 28.29 O -HETATM 4338 O HOH B 912 75.330 33.031 34.515 1.00 25.55 O -HETATM 4339 O HOH B 918 65.520 32.315 53.274 1.00 30.32 O -HETATM 4340 O HOH B 919 75.911 33.969 28.010 1.00 25.85 O -HETATM 4341 O HOH B 921 71.550 45.279 21.991 1.00 28.59 O -HETATM 4342 O HOH B 922 75.409 37.871 44.573 1.00 25.40 O -HETATM 4343 O HOH B 923 68.210 22.457 17.513 1.00 29.06 O -HETATM 4344 O HOH B 925 71.990 25.200 20.918 1.00 29.97 O -HETATM 4345 O HOH B 931 76.978 37.266 22.126 1.00 26.24 O -HETATM 4346 O HOH B 932 76.819 34.789 46.514 1.00 27.27 O -HETATM 4347 O HOH B 933 66.399 21.553 56.569 1.00 25.86 O -HETATM 4348 O HOH B 935 60.545 7.681 49.308 1.00 29.08 O -HETATM 4349 O HOH B 936 42.699 17.680 41.651 1.00 28.58 O -HETATM 4350 O HOH B 938 74.163 27.837 13.170 1.00 28.78 O -HETATM 4351 O HOH B 939 49.378 31.488 22.978 1.00 24.53 O -HETATM 4352 O HOH B 940 42.768 25.033 42.048 1.00 28.61 O -HETATM 4353 O HOH B 943 50.704 25.257 26.165 1.00 27.90 O -HETATM 4354 O HOH B 944 76.994 27.500 52.308 1.00 25.41 O -HETATM 4355 O HOH B 945 79.286 49.538 43.856 1.00 26.55 O -HETATM 4356 O HOH B 948 52.160 41.400 15.011 1.00 33.07 O -HETATM 4357 O HOH B 949 78.279 33.892 43.880 1.00 26.63 O -HETATM 4358 O HOH B 951 67.945 28.881 56.967 1.00 28.27 O -HETATM 4359 O HOH B 952 71.504 11.090 30.528 1.00 28.38 O -HETATM 4360 O HOH B 953 51.797 10.312 19.547 1.00 27.02 O -HETATM 4361 O HOH B 961 75.331 31.946 52.113 1.00 25.35 O -HETATM 4362 O HOH B 962 59.697 43.119 46.235 1.00 28.20 O -HETATM 4363 O HOH B 964 58.266 2.426 34.482 1.00 26.58 O -HETATM 4364 O HOH B 965 56.220 34.852 46.568 1.00 25.97 O -HETATM 4365 O HOH B 967 79.856 24.829 41.209 1.00 28.90 O -HETATM 4366 O HOH B 970 43.464 21.740 33.989 1.00 29.26 O -HETATM 4367 O HOH B 971 79.207 26.218 45.890 1.00 23.27 O -HETATM 4368 O HOH B 972 77.124 41.659 26.197 1.00 26.20 O -HETATM 4369 O HOH B 974 49.337 4.380 26.489 1.00 28.13 O -HETATM 4370 O HOH B 980 70.133 33.619 9.496 1.00 25.93 O -HETATM 4371 O HOH B 983 67.980 52.946 37.832 1.00 28.54 O -HETATM 4372 O HOH B 985 58.561 44.193 38.707 1.00 30.14 O -HETATM 4373 O HOH B 986 52.302 25.683 49.637 1.00 27.13 O -HETATM 4374 O HOH B 989 79.464 39.208 36.033 1.00 29.13 O -HETATM 4375 O HOH B 991 61.120 43.078 31.987 1.00 30.23 O -HETATM 4376 O HOH B 992 77.847 28.767 32.920 1.00 29.67 O -HETATM 4377 O HOH B 993 56.046 5.969 22.957 1.00 30.98 O -HETATM 4378 O HOH B 994 54.881 7.404 48.933 1.00 27.44 O -HETATM 4379 O HOH B 995 78.065 31.479 37.510 1.00 28.22 O -HETATM 4380 O HOH B 998 52.010 10.377 47.592 1.00 28.51 O -HETATM 4381 O HOH B1000 71.714 11.777 36.872 1.00 28.65 O -HETATM 4382 O HOH B1001 55.112 11.715 51.379 1.00 28.30 O -HETATM 4383 O HOH B1002 66.905 12.358 18.924 1.00 26.53 O -HETATM 4384 O HOH B1007 63.199 24.550 56.201 1.00 32.71 O -HETATM 4385 O HOH B1010 68.277 7.987 28.467 1.00 29.43 O -HETATM 4386 O HOH B1011 54.673 4.075 42.127 1.00 26.16 O -HETATM 4387 O HOH B1015 57.771 20.609 57.969 1.00 29.02 O -HETATM 4388 O HOH B1016 69.375 9.749 45.460 1.00 33.30 O -HETATM 4389 O HOH B1017 71.984 22.810 23.568 1.00 27.55 O -HETATM 4390 O HOH B1018 60.866 46.754 40.093 1.00 32.66 O -HETATM 4391 O HOH B1022 61.762 4.757 44.658 1.00 30.74 O -HETATM 4392 O HOH B1023 61.124 21.918 56.478 1.00 33.18 O -HETATM 4393 O HOH B1024 48.877 8.580 20.765 1.00 27.51 O -HETATM 4394 O HOH B1028 53.306 6.136 26.975 1.00 31.57 O -HETATM 4395 O HOH B1030 59.029 6.240 25.889 1.00 30.08 O -MASTER 243 0 0 24 20 0 0 6 4393 2 0 40 -END diff --git a/inputs/C2.sym b/inputs/C2.sym deleted file mode 100644 index 35049d95d99..00000000000 --- a/inputs/C2.sym +++ /dev/null @@ -1,2 +0,0 @@ -A B -A_B diff --git a/inputs/exp_ERMS.csv b/inputs/exp_ERMS.csv deleted file mode 100644 index 89c2d94835d..00000000000 --- a/inputs/exp_ERMS.csv +++ /dev/null @@ -1,21 +0,0 @@ -0 1 0 -45 1 0 -90 1 0 -135 0.988414 0.011586 -180 0.957891 0.042109 -225 0.903741 0.096259 -270 0.773155 0.226845 -315 0.607057 0.392943 -360 0.338749 0.661251 -405 0.200907 0.799093 -450 0.123857 0.876143 -495 0.07918 0.92082 -540 0.063465 0.936535 -585 0.045598 0.954402 -630 0.041745 0.958255 -675 0.030882 0.969118 -720 0.027197 0.972803 -765 0.021356 0.978644 -810 0.015356 0.984644 -855 0.011011 0.988989 -900 0.004764 0.995236 diff --git a/inputs/inputs/1VGT.pdb b/inputs/inputs/1VGT.pdb deleted file mode 100644 index 6f14f33148e..00000000000 --- a/inputs/inputs/1VGT.pdb +++ /dev/null @@ -1,3870 +0,0 @@ -HEADER TRANSFERASE 03-NOV-03 1VGT -TITLE CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL -TITLE 2 SYNTHASE -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE; -COMPND 3 CHAIN: A, B; -COMPND 4 SYNONYM: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE, MEP -COMPND 5 CYTIDYLYLTRANSFERASE, MCT, CDP-ME SYNTHETASE; -COMPND 6 EC: 2.7.7.60; -COMPND 7 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; -SOURCE 3 ORGANISM_TAXID: 562; -SOURCE 4 GENE: ISPD, B2747; -SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 -KEYWDS STRUCTURAL GENOMICS, TRANSFERASE -EXPDTA X-RAY DIFFRACTION -AUTHOR STRUCTURAL GENOMIX -REVDAT 7 27-DEC-23 1VGT 1 REMARK -REVDAT 6 04-OCT-17 1VGT 1 REMARK -REVDAT 5 13-JUL-11 1VGT 1 VERSN -REVDAT 4 24-FEB-09 1VGT 1 VERSN -REVDAT 3 30-AUG-05 1VGT 1 JRNL -REVDAT 2 30-DEC-03 1VGT 1 JRNL -REVDAT 1 25-NOV-03 1VGT 0 -JRNL AUTH J.BADGER,J.M.SAUDER,J.M.ADAMS,S.ANTONYSAMY,K.BAIN, -JRNL AUTH 2 M.G.BERGSEID,S.G.BUCHANAN,M.D.BUCHANAN,Y.BATIYENKO, -JRNL AUTH 3 J.A.CHRISTOPHER,S.EMTAGE,A.EROSHKINA,I.FEIL,E.B.FURLONG, -JRNL AUTH 4 K.S.GAJIWALA,X.GAO,D.HE,J.HENDLE,A.HUBER,K.HODA,P.KEARINS, -JRNL AUTH 5 C.KISSINGER,B.LAUBERT,H.A.LEWIS,J.LIN,K.LOOMIS,D.LORIMER, -JRNL AUTH 6 G.LOUIE,M.MALETIC,C.D.MARSH,I.MILLER,J.MOLINARI, -JRNL AUTH 7 H.J.MULLER-DIECKMANN,J.M.NEWMAN,B.W.NOLAND,B.PAGARIGAN, -JRNL AUTH 8 F.PARK,T.S.PEAT,K.W.POST,S.RADOJICIC,A.RAMOS,R.ROMERO, -JRNL AUTH 9 M.E.RUTTER,W.E.SANDERSON,K.D.SCHWINN,J.TRESSER,J.WINHOVEN, -JRNL AUTH10 T.A.WRIGHT,L.WU,J.XU,T.J.HARRIS -JRNL TITL STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A -JRNL TITL 2 BACTERIAL GENOMICS PROJECT -JRNL REF PROTEINS V. 60 787 2005 -JRNL REFN ISSN 0887-3585 -JRNL PMID 16021622 -JRNL DOI 10.1002/PROT.20541 -REMARK 2 -REMARK 2 RESOLUTION. 1.80 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 4.0 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, -REMARK 3 : NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.65 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 -REMARK 3 COMPLETENESS FOR RANGE (%) : NULL -REMARK 3 NUMBER OF REFLECTIONS : 40898 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING + TEST SET) : NULL -REMARK 3 R VALUE (WORKING SET) : 0.224 -REMARK 3 FREE R VALUE : 0.253 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : 2071 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 3176 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 0 -REMARK 3 SOLVENT ATOMS : 197 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.22 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : 0.93100 -REMARK 3 B22 (A**2) : 0.38600 -REMARK 3 B33 (A**2) : -1.31600 -REMARK 3 B12 (A**2) : 0.00000 -REMARK 3 B13 (A**2) : 0.00000 -REMARK 3 B23 (A**2) : 0.00000 -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): NULL -REMARK 3 ESU BASED ON FREE R VALUE (A): NULL -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA -REMARK 3 BOND LENGTH (A) : 0.028 ; NULL -REMARK 3 ANGLE DISTANCE (A) : 2.398 ; NULL -REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL -REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL -REMARK 3 -REMARK 3 PLANE RESTRAINT (A) : 0.013 ; NULL -REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.174 ; NULL -REMARK 3 -REMARK 3 NON-BONDED CONTACT RESTRAINTS. -REMARK 3 SINGLE TORSION (A) : NULL ; NULL -REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL -REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL -REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL -REMARK 3 -REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. -REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL -REMARK 3 PLANAR (DEGREES) : 2.878 ; NULL -REMARK 3 STAGGERED (DEGREES) : NULL ; NULL -REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : 2.151 ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.318 ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : 3.402 ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.985 ; NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1VGT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-03. -REMARK 100 THE DEPOSITION ID IS D_1000001852. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : NULL -REMARK 200 TEMPERATURE (KELVIN) : NULL -REMARK 200 PH : NULL -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : APS -REMARK 200 BEAMLINE : 32-ID -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL -REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9795, 0.9641, 1.5418 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE -REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40899 -REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 -REMARK 200 RESOLUTION RANGE LOW (A) : 22.650 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 -REMARK 200 DATA REDUNDANCY : 6.600 -REMARK 200 R MERGE (I) : 0.05800 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 17.9000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 -REMARK 200 COMPLETENESS FOR SHELL (%) : 96.8 -REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 -REMARK 200 R MERGE FOR SHELL (I) : 0.45500 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 4.600 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: MAD -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SE-MET MAD PHASING -REMARK 200 SOFTWARE USED: NULL -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 42.64 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NULL -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.43300 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.19250 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.39150 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 69.19250 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.43300 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 39.39150 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC -REMARK 350 SOFTWARE USED: PISA,PQS -REMARK 350 TOTAL BURIED SURFACE AREA: 3240 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 18220 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 MET A -1 -REMARK 465 SER A 0 -REMARK 465 LEU A 1 -REMARK 465 ALA A 2 -REMARK 465 THR A 3 -REMARK 465 THR A 4 -REMARK 465 HIS A 5 -REMARK 465 GLY A 16 -REMARK 465 PHE A 17 -REMARK 465 GLY A 18 -REMARK 465 ARG A 19 -REMARK 465 ARG A 20 -REMARK 465 MET A 21 -REMARK 465 GLN A 22 -REMARK 465 THR A 23 -REMARK 465 GLU A 24 -REMARK 465 CYS A 25 -REMARK 465 PRO A 60 -REMARK 465 GLY A 61 -REMARK 465 ASP A 62 -REMARK 465 ARG A 216 -REMARK 465 PRO A 217 -REMARK 465 THR A 228 -REMARK 465 ARG A 229 -REMARK 465 THR A 230 -REMARK 465 ILE A 231 -REMARK 465 HIS A 232 -REMARK 465 GLN A 233 -REMARK 465 GLU A 234 -REMARK 465 ASN A 235 -REMARK 465 THR A 236 -REMARK 465 MET B -1 -REMARK 465 SER B 0 -REMARK 465 LEU B 1 -REMARK 465 ALA B 2 -REMARK 465 THR B 3 -REMARK 465 THR B 4 -REMARK 465 HIS B 5 -REMARK 465 ARG B 19 -REMARK 465 ARG B 20 -REMARK 465 MET B 21 -REMARK 465 GLN B 22 -REMARK 465 THR B 23 -REMARK 465 GLU B 24 -REMARK 465 CYS B 25 -REMARK 465 THR B 230 -REMARK 465 ILE B 231 -REMARK 465 HIS B 232 -REMARK 465 GLN B 233 -REMARK 465 GLU B 234 -REMARK 465 ASN B 235 -REMARK 465 THR B 236 -REMARK 470 -REMARK 470 MISSING ATOM -REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 470 I=INSERTION CODE): -REMARK 470 M RES CSSEQI ATOMS -REMARK 470 ASP A 83 CG OD1 OD2 -REMARK 470 LYS A 148 CD CE NZ -REMARK 470 GLU A 172 CD OE1 OE2 -REMARK 470 GLN A 203 CD OE1 NE2 -REMARK 470 GLU A 218 CG CD OE1 OE2 -REMARK 470 LYS B 27 CD CE NZ -REMARK 470 ARG B 64 CG CD NE CZ NH1 NH2 -REMARK 470 GLN B 67 CG CD OE1 NE2 -REMARK 470 ASP B 83 CG OD1 OD2 -REMARK 470 ASP B 98 CG OD1 OD2 -REMARK 470 GLU B 125 CG CD OE1 OE2 -REMARK 470 ARG B 128 CD NE CZ NH1 NH2 -REMARK 470 LYS B 148 CG CD CE NZ -REMARK 470 ARG B 216 NE CZ NH1 NH2 -REMARK 470 ARG B 229 NE CZ NH1 NH2 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 LEU A 103 CA - CB - CG ANGL. DEV. = 14.9 DEGREES -REMARK 500 ARG A 171 CD - NE - CZ ANGL. DEV. = 11.2 DEGREES -REMARK 500 CYS A 177 CA - CB - SG ANGL. DEV. = 11.9 DEGREES -REMARK 500 ARG A 180 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES -REMARK 500 TYR A 197 CB - CG - CD1 ANGL. DEV. = -5.5 DEGREES -REMARK 500 ARG B 53 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES -REMARK 500 ARG B 143 CD - NE - CZ ANGL. DEV. = 16.4 DEGREES -REMARK 500 ARG B 143 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 ASN A 149 57.24 -102.42 -REMARK 500 THR A 189 -77.40 -104.67 -REMARK 500 ALA B 108 32.78 -99.83 -REMARK 500 ASP B 139 -156.66 -109.71 -REMARK 500 ASN B 149 57.26 -97.94 -REMARK 500 LEU B 164 -165.96 -109.88 -REMARK 500 THR B 189 -78.44 -122.77 -REMARK 500 -REMARK 500 REMARK: NULL -DBREF 1VGT A 2 236 UNP Q46893 ISPD_ECOLI 1 235 -DBREF 1VGT B 2 236 UNP Q46893 ISPD_ECOLI 1 235 -SEQADV 1VGT MET A -1 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT SER A 0 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT LEU A 1 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT MET B -1 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT SER B 0 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT LEU B 1 UNP Q46893 CLONING ARTIFACT -SEQRES 1 A 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL -SEQRES 2 A 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU -SEQRES 3 A 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE -SEQRES 4 A 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG -SEQRES 5 A 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER -SEQRES 6 A 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE -SEQRES 7 A 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL -SEQRES 8 A 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL -SEQRES 9 A 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP -SEQRES 10 A 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG -SEQRES 11 A 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET -SEQRES 12 A 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR -SEQRES 13 A 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN -SEQRES 14 A 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG -SEQRES 15 A 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER -SEQRES 16 A 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU -SEQRES 17 A 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP -SEQRES 18 A 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS -SEQRES 19 A 238 GLN GLU ASN THR -SEQRES 1 B 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL -SEQRES 2 B 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU -SEQRES 3 B 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE -SEQRES 4 B 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG -SEQRES 5 B 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER -SEQRES 6 B 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE -SEQRES 7 B 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL -SEQRES 8 B 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL -SEQRES 9 B 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP -SEQRES 10 B 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG -SEQRES 11 B 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET -SEQRES 12 B 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR -SEQRES 13 B 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN -SEQRES 14 B 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG -SEQRES 15 B 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER -SEQRES 16 B 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU -SEQRES 17 B 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP -SEQRES 18 B 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS -SEQRES 19 B 238 GLN GLU ASN THR -FORMUL 3 HOH *197(H2 O) -HELIX 1 1 PRO A 26 TYR A 29 5 4 -HELIX 2 2 ILE A 37 ALA A 47 1 11 -HELIX 3 3 SER A 63 LEU A 68 1 6 -HELIX 4 4 PRO A 69 HIS A 73 5 5 -HELIX 5 5 GLU A 84 ALA A 95 1 12 -HELIX 6 6 HIS A 113 ALA A 122 1 10 -HELIX 7 7 ALA A 122 SER A 127 1 6 -HELIX 8 8 ARG A 171 GLU A 184 1 14 -HELIX 9 9 ASP A 190 GLY A 199 1 10 -HELIX 10 10 GLU A 218 LEU A 227 1 10 -HELIX 11 11 ILE B 37 ALA B 47 1 11 -HELIX 12 12 ARG B 64 HIS B 73 5 10 -HELIX 13 13 GLU B 84 LYS B 94 1 11 -HELIX 14 14 HIS B 113 ALA B 122 1 10 -HELIX 15 15 ALA B 122 SER B 127 1 6 -HELIX 16 16 ARG B 171 GLU B 184 1 14 -HELIX 17 17 ASP B 190 CYS B 198 1 9 -HELIX 18 18 GLU B 218 ARG B 229 1 12 -SHEET 1 A 7 ILE A 76 ASP A 80 0 -SHEET 2 A 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 -SHEET 3 A 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 -SHEET 4 A 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 -SHEET 5 A 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 -SHEET 6 A 7 GLY A 131 PRO A 136 -1 N ALA A 135 O HIS A 162 -SHEET 7 A 7 GLN A 203 GLU A 206 1 O VAL A 205 N ILE A 132 -SHEET 1 B 7 ILE A 76 ASP A 80 0 -SHEET 2 B 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 -SHEET 3 B 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 -SHEET 4 B 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 -SHEET 5 B 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 -SHEET 6 B 7 MET B 141 ALA B 144 -1 O LYS B 142 N TRP A 161 -SHEET 7 B 7 ILE B 151 VAL B 155 -1 O HIS B 153 N ARG B 143 -SHEET 1 C 2 SER A 31 ILE A 32 0 -SHEET 2 C 2 GLN A 35 THR A 36 -1 O GLN A 35 N ILE A 32 -SHEET 1 D 7 ILE A 151 VAL A 155 0 -SHEET 2 D 7 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 -SHEET 3 D 7 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 -SHEET 4 D 7 TRP B 101 VAL B 104 -1 N VAL B 102 O PHE B 169 -SHEET 5 D 7 VAL B 8 ALA B 14 1 N VAL B 11 O LEU B 103 -SHEET 6 D 7 VAL B 51 ILE B 58 1 O VAL B 55 N ALA B 10 -SHEET 7 D 7 ILE B 76 ASP B 80 1 O THR B 77 N ILE B 56 -SHEET 1 E 5 ILE A 151 VAL A 155 0 -SHEET 2 E 5 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 -SHEET 3 E 5 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 -SHEET 4 E 5 GLY B 131 PRO B 136 -1 N ALA B 135 O HIS B 162 -SHEET 5 E 5 GLN B 203 GLU B 206 1 O VAL B 205 N ILE B 132 -SHEET 1 F 2 SER B 31 ILE B 32 0 -SHEET 2 F 2 GLN B 35 THR B 36 -1 O GLN B 35 N ILE B 32 -SSBOND 1 CYS A 177 CYS A 198 1555 1555 2.10 -SSBOND 2 CYS B 177 CYS B 198 1555 1555 2.85 -CISPEP 1 THR A 165 PRO A 166 0 3.49 -CISPEP 2 THR B 165 PRO B 166 0 4.29 -CRYST1 40.866 78.783 138.385 90.00 90.00 90.00 P 21 21 21 8 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.024470 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.012693 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.007226 0.00000 -ATOM 1 N LEU A 6 14.062 28.153 58.701 1.00 42.92 N -ATOM 2 CA LEU A 6 14.250 29.073 57.602 1.00 40.74 C -ATOM 3 C LEU A 6 15.174 30.233 57.953 1.00 37.63 C -ATOM 4 O LEU A 6 15.776 30.811 57.034 1.00 37.92 O -ATOM 5 CB LEU A 6 12.946 29.615 57.039 1.00 42.62 C -ATOM 6 CG LEU A 6 12.026 28.747 56.211 1.00 48.58 C -ATOM 7 CD1 LEU A 6 10.760 29.545 55.789 1.00 49.08 C -ATOM 8 CD2 LEU A 6 12.730 28.279 54.921 1.00 48.00 C -ATOM 9 N ASP A 7 15.347 30.597 59.211 1.00 35.36 N -ATOM 10 CA ASP A 7 16.219 31.721 59.539 1.00 33.08 C -ATOM 11 C ASP A 7 17.647 31.508 59.038 1.00 30.64 C -ATOM 12 O ASP A 7 18.235 30.450 59.206 1.00 31.48 O -ATOM 13 CB ASP A 7 16.298 31.960 61.046 1.00 39.91 C -ATOM 14 CG ASP A 7 14.963 32.324 61.666 1.00 45.41 C -ATOM 15 OD1 ASP A 7 14.068 32.779 60.942 1.00 42.12 O -ATOM 16 OD2 ASP A 7 14.865 32.111 62.903 1.00 51.03 O -ATOM 17 N VAL A 8 18.219 32.580 58.515 1.00 29.24 N -ATOM 18 CA VAL A 8 19.582 32.577 58.013 1.00 26.32 C -ATOM 19 C VAL A 8 20.378 33.663 58.744 1.00 26.07 C -ATOM 20 O VAL A 8 19.828 34.721 59.056 1.00 23.30 O -ATOM 21 CB VAL A 8 19.553 32.940 56.507 1.00 27.57 C -ATOM 22 CG1 VAL A 8 20.917 33.197 55.937 1.00 25.06 C -ATOM 23 CG2 VAL A 8 18.849 31.818 55.708 1.00 27.58 C -ATOM 24 N CYS A 9 21.647 33.380 59.038 1.00 22.43 N -ATOM 25 CA CYS A 9 22.489 34.415 59.632 1.00 20.76 C -ATOM 26 C CYS A 9 23.617 34.669 58.572 1.00 22.17 C -ATOM 27 O CYS A 9 24.091 33.678 58.035 1.00 22.96 O -ATOM 28 CB CYS A 9 23.172 33.926 60.913 1.00 23.02 C -ATOM 29 SG CYS A 9 24.164 35.158 61.723 1.00 21.81 S -ATOM 30 N ALA A 10 23.795 35.906 58.197 1.00 20.70 N -ATOM 31 CA ALA A 10 24.857 36.210 57.215 1.00 20.32 C -ATOM 32 C ALA A 10 26.130 36.546 57.982 1.00 21.15 C -ATOM 33 O ALA A 10 26.079 36.968 59.149 1.00 21.25 O -ATOM 34 CB ALA A 10 24.412 37.410 56.383 1.00 21.33 C -ATOM 35 N VAL A 11 27.269 36.364 57.353 1.00 19.68 N -ATOM 36 CA VAL A 11 28.560 36.673 57.937 1.00 20.51 C -ATOM 37 C VAL A 11 29.330 37.507 56.877 1.00 23.30 C -ATOM 38 O VAL A 11 29.366 37.053 55.730 1.00 21.76 O -ATOM 39 CB VAL A 11 29.371 35.442 58.295 1.00 21.79 C -ATOM 40 CG1 VAL A 11 30.808 35.768 58.680 1.00 20.65 C -ATOM 41 CG2 VAL A 11 28.700 34.707 59.476 1.00 21.30 C -ATOM 42 N VAL A 12 29.839 38.650 57.318 1.00 21.83 N -ATOM 43 CA VAL A 12 30.615 39.489 56.374 1.00 23.64 C -ATOM 44 C VAL A 12 32.010 39.602 56.958 1.00 28.72 C -ATOM 45 O VAL A 12 32.194 40.293 57.986 1.00 30.27 O -ATOM 46 CB VAL A 12 30.006 40.872 56.176 1.00 26.69 C -ATOM 47 CG1 VAL A 12 30.849 41.745 55.203 1.00 24.66 C -ATOM 48 CG2 VAL A 12 28.598 40.783 55.611 1.00 24.43 C -ATOM 49 N PRO A 13 32.979 38.927 56.387 1.00 27.83 N -ATOM 50 CA PRO A 13 34.358 39.022 56.922 1.00 31.17 C -ATOM 51 C PRO A 13 34.880 40.386 56.541 1.00 33.27 C -ATOM 52 O PRO A 13 34.938 40.764 55.378 1.00 34.75 O -ATOM 53 CB PRO A 13 35.049 37.840 56.313 1.00 31.04 C -ATOM 54 CG PRO A 13 34.195 37.278 55.269 1.00 27.98 C -ATOM 55 CD PRO A 13 32.901 38.061 55.206 1.00 30.65 C -ATOM 56 N ALA A 14 35.172 41.259 57.521 1.00 36.76 N -ATOM 57 CA ALA A 14 35.593 42.618 57.176 1.00 40.08 C -ATOM 58 C ALA A 14 36.796 43.108 57.946 1.00 42.28 C -ATOM 59 O ALA A 14 36.921 44.309 58.225 1.00 43.55 O -ATOM 60 CB ALA A 14 34.401 43.555 57.347 1.00 37.20 C -ATOM 61 N ALA A 15 37.704 42.194 58.311 1.00 43.70 N -ATOM 62 CA ALA A 15 38.889 42.580 59.077 1.00 45.75 C -ATOM 63 C ALA A 15 40.148 42.616 58.211 1.00 48.62 C -ATOM 64 O ALA A 15 40.094 42.371 56.995 1.00 50.27 O -ATOM 65 CB ALA A 15 39.093 41.598 60.227 1.00 46.95 C -ATOM 66 N PRO A 26 40.471 49.533 53.116 1.00 48.01 N -ATOM 67 CA PRO A 26 39.555 50.648 52.914 1.00 46.95 C -ATOM 68 C PRO A 26 38.569 50.451 51.814 1.00 43.12 C -ATOM 69 O PRO A 26 37.569 51.187 51.731 1.00 41.74 O -ATOM 70 CB PRO A 26 40.541 51.775 52.542 1.00 48.84 C -ATOM 71 CG PRO A 26 41.722 51.509 53.392 1.00 49.92 C -ATOM 72 CD PRO A 26 41.686 50.069 53.821 1.00 50.28 C -ATOM 73 N LYS A 27 38.763 49.451 50.926 1.00 39.80 N -ATOM 74 CA LYS A 27 37.774 49.319 49.847 1.00 37.54 C -ATOM 75 C LYS A 27 36.351 49.369 50.315 1.00 33.88 C -ATOM 76 O LYS A 27 35.518 50.143 49.837 1.00 34.01 O -ATOM 77 CB LYS A 27 38.070 48.092 48.974 1.00 41.12 C -ATOM 78 CG LYS A 27 39.320 48.291 48.103 1.00 47.56 C -ATOM 79 CD LYS A 27 39.255 49.619 47.352 1.00 48.51 C -ATOM 80 CE LYS A 27 40.613 50.048 46.835 1.00 53.82 C -ATOM 81 NZ LYS A 27 41.738 49.528 47.669 1.00 55.97 N -ATOM 82 N GLN A 28 35.998 48.623 51.371 1.00 35.18 N -ATOM 83 CA GLN A 28 34.642 48.612 51.870 1.00 35.98 C -ATOM 84 C GLN A 28 34.276 49.915 52.583 1.00 34.55 C -ATOM 85 O GLN A 28 33.102 50.153 52.823 1.00 33.76 O -ATOM 86 CB GLN A 28 34.424 47.418 52.811 1.00 40.38 C -ATOM 87 CG GLN A 28 35.011 47.637 54.195 1.00 45.79 C -ATOM 88 CD GLN A 28 36.424 47.122 54.295 1.00 51.58 C -ATOM 89 OE1 GLN A 28 37.246 47.369 53.402 1.00 58.72 O -ATOM 90 NE2 GLN A 28 36.702 46.379 55.362 1.00 53.77 N -ATOM 91 N TYR A 29 35.263 50.777 52.811 1.00 35.63 N -ATOM 92 CA TYR A 29 34.984 52.065 53.459 1.00 37.51 C -ATOM 93 C TYR A 29 34.909 53.196 52.470 1.00 39.63 C -ATOM 94 O TYR A 29 34.765 54.369 52.817 1.00 40.92 O -ATOM 95 CB TYR A 29 35.959 52.302 54.607 1.00 37.98 C -ATOM 96 CG TYR A 29 35.770 51.337 55.768 1.00 37.37 C -ATOM 97 CD1 TYR A 29 36.864 50.803 56.425 1.00 36.72 C -ATOM 98 CD2 TYR A 29 34.502 50.976 56.184 1.00 36.22 C -ATOM 99 CE1 TYR A 29 36.682 49.896 57.477 1.00 40.68 C -ATOM 100 CE2 TYR A 29 34.312 50.086 57.224 1.00 38.28 C -ATOM 101 CZ TYR A 29 35.407 49.562 57.869 1.00 38.96 C -ATOM 102 OH TYR A 29 35.199 48.694 58.908 1.00 44.10 O -ATOM 103 N LEU A 30 34.967 52.869 51.164 1.00 40.51 N -ATOM 104 CA LEU A 30 34.800 53.887 50.120 1.00 39.07 C -ATOM 105 C LEU A 30 33.295 54.172 50.068 1.00 40.41 C -ATOM 106 O LEU A 30 32.534 53.320 50.529 1.00 39.58 O -ATOM 107 CB LEU A 30 35.317 53.436 48.783 1.00 37.56 C -ATOM 108 CG LEU A 30 36.830 53.203 48.658 1.00 40.11 C -ATOM 109 CD1 LEU A 30 37.145 52.571 47.307 1.00 38.72 C -ATOM 110 CD2 LEU A 30 37.567 54.534 48.822 1.00 43.54 C -ATOM 111 N SER A 31 32.866 55.299 49.527 1.00 40.29 N -ATOM 112 CA SER A 31 31.454 55.620 49.540 1.00 40.19 C -ATOM 113 C SER A 31 30.831 55.869 48.185 1.00 41.90 C -ATOM 114 O SER A 31 31.418 56.398 47.258 1.00 42.47 O -ATOM 115 CB SER A 31 31.213 56.889 50.396 1.00 43.79 C -ATOM 116 OG SER A 31 31.289 56.599 51.775 1.00 47.84 O -ATOM 117 N ILE A 32 29.554 55.529 48.114 1.00 41.34 N -ATOM 118 CA ILE A 32 28.716 55.715 46.969 1.00 43.56 C -ATOM 119 C ILE A 32 27.380 56.275 47.488 1.00 44.17 C -ATOM 120 O ILE A 32 26.647 55.593 48.191 1.00 42.60 O -ATOM 121 CB ILE A 32 28.473 54.448 46.142 1.00 43.22 C -ATOM 122 CG1 ILE A 32 29.761 53.964 45.477 1.00 44.56 C -ATOM 123 CG2 ILE A 32 27.400 54.719 45.092 1.00 45.58 C -ATOM 124 CD1 ILE A 32 29.630 52.661 44.717 1.00 45.28 C -ATOM 125 N GLY A 33 27.175 57.566 47.208 1.00 43.72 N -ATOM 126 CA GLY A 33 25.941 58.207 47.686 1.00 44.40 C -ATOM 127 C GLY A 33 26.098 58.461 49.181 1.00 44.98 C -ATOM 128 O GLY A 33 27.204 58.759 49.644 1.00 44.29 O -ATOM 129 N ASN A 34 25.057 58.211 49.957 1.00 47.11 N -ATOM 130 CA ASN A 34 25.104 58.441 51.394 1.00 51.08 C -ATOM 131 C ASN A 34 25.772 57.354 52.192 1.00 50.03 C -ATOM 132 O ASN A 34 25.687 57.343 53.435 1.00 51.75 O -ATOM 133 CB ASN A 34 23.636 58.592 51.896 1.00 58.30 C -ATOM 134 CG ASN A 34 22.694 57.553 51.343 1.00 64.14 C -ATOM 135 OD1 ASN A 34 23.064 56.646 50.588 1.00 69.65 O -ATOM 136 ND2 ASN A 34 21.413 57.664 51.719 1.00 67.38 N -ATOM 137 N GLN A 35 26.288 56.298 51.532 1.00 48.28 N -ATOM 138 CA GLN A 35 26.793 55.154 52.284 1.00 44.54 C -ATOM 139 C GLN A 35 28.072 54.518 51.805 1.00 42.00 C -ATOM 140 O GLN A 35 28.410 54.557 50.622 1.00 40.63 O -ATOM 141 CB GLN A 35 25.662 54.069 52.223 1.00 48.13 C -ATOM 142 CG GLN A 35 24.290 54.594 52.523 1.00 52.20 C -ATOM 143 CD GLN A 35 23.125 53.676 52.492 1.00 57.02 C -ATOM 144 OE1 GLN A 35 22.079 53.929 53.118 1.00 59.31 O -ATOM 145 NE2 GLN A 35 23.229 52.559 51.774 1.00 58.90 N -ATOM 146 N THR A 36 28.772 53.861 52.734 1.00 37.41 N -ATOM 147 CA THR A 36 29.999 53.162 52.448 1.00 34.94 C -ATOM 148 C THR A 36 29.612 51.853 51.690 1.00 33.89 C -ATOM 149 O THR A 36 28.449 51.485 51.689 1.00 31.24 O -ATOM 150 CB THR A 36 30.875 52.795 53.624 1.00 36.54 C -ATOM 151 OG1 THR A 36 30.254 51.834 54.493 1.00 31.74 O -ATOM 152 CG2 THR A 36 31.236 54.039 54.451 1.00 36.21 C -ATOM 153 N ILE A 37 30.610 51.305 51.033 1.00 32.88 N -ATOM 154 CA ILE A 37 30.347 50.075 50.238 1.00 28.92 C -ATOM 155 C ILE A 37 29.846 48.989 51.200 1.00 30.15 C -ATOM 156 O ILE A 37 28.819 48.376 50.908 1.00 30.44 O -ATOM 157 CB ILE A 37 31.580 49.647 49.475 1.00 29.50 C -ATOM 158 CG1 ILE A 37 31.981 50.727 48.451 1.00 31.17 C -ATOM 159 CG2 ILE A 37 31.308 48.313 48.746 1.00 30.72 C -ATOM 160 CD1 ILE A 37 31.063 50.858 47.264 1.00 32.08 C -ATOM 161 N LEU A 38 30.521 48.834 52.329 1.00 29.72 N -ATOM 162 CA LEU A 38 30.119 47.886 53.363 1.00 27.90 C -ATOM 163 C LEU A 38 28.642 48.050 53.688 1.00 28.20 C -ATOM 164 O LEU A 38 27.896 47.063 53.816 1.00 27.48 O -ATOM 165 CB LEU A 38 30.969 48.049 54.623 1.00 30.95 C -ATOM 166 CG LEU A 38 30.576 47.112 55.800 1.00 30.46 C -ATOM 167 CD1 LEU A 38 30.749 45.663 55.412 1.00 22.99 C -ATOM 168 CD2 LEU A 38 31.378 47.461 57.037 1.00 30.02 C -ATOM 169 N GLU A 39 28.155 49.289 53.874 1.00 28.38 N -ATOM 170 CA GLU A 39 26.725 49.468 54.195 1.00 27.68 C -ATOM 171 C GLU A 39 25.814 49.014 53.098 1.00 27.58 C -ATOM 172 O GLU A 39 24.706 48.516 53.283 1.00 27.83 O -ATOM 173 CB GLU A 39 26.447 50.965 54.525 1.00 32.94 C -ATOM 174 CG GLU A 39 27.153 51.448 55.788 1.00 33.26 C -ATOM 175 CD GLU A 39 27.178 52.979 55.886 1.00 37.51 C -ATOM 176 OE1 GLU A 39 28.137 53.623 55.415 1.00 33.33 O -ATOM 177 OE2 GLU A 39 26.206 53.538 56.443 1.00 41.17 O -ATOM 178 N HIS A 40 26.175 49.287 51.819 1.00 26.22 N -ATOM 179 CA HIS A 40 25.429 48.892 50.679 1.00 28.24 C -ATOM 180 C HIS A 40 25.347 47.326 50.665 1.00 24.65 C -ATOM 181 O HIS A 40 24.295 46.809 50.393 1.00 27.82 O -ATOM 182 CB HIS A 40 26.099 49.344 49.358 1.00 28.55 C -ATOM 183 CG HIS A 40 25.939 50.815 49.080 1.00 29.88 C -ATOM 184 ND1 HIS A 40 24.759 51.372 48.706 1.00 33.53 N -ATOM 185 CD2 HIS A 40 26.835 51.823 49.080 1.00 30.91 C -ATOM 186 CE1 HIS A 40 24.901 52.669 48.503 1.00 34.34 C -ATOM 187 NE2 HIS A 40 26.179 52.967 48.738 1.00 29.90 N -ATOM 188 N SER A 41 26.462 46.720 50.897 1.00 27.07 N -ATOM 189 CA SER A 41 26.566 45.236 50.903 1.00 25.76 C -ATOM 190 C SER A 41 25.724 44.658 52.029 1.00 26.72 C -ATOM 191 O SER A 41 24.880 43.809 51.822 1.00 27.35 O -ATOM 192 CB SER A 41 28.015 44.851 51.077 1.00 26.97 C -ATOM 193 OG SER A 41 28.172 43.464 51.344 1.00 34.42 O -ATOM 194 N VAL A 42 25.847 45.261 53.220 1.00 28.47 N -ATOM 195 CA VAL A 42 25.025 44.742 54.347 1.00 27.51 C -ATOM 196 C VAL A 42 23.546 44.915 54.106 1.00 28.30 C -ATOM 197 O VAL A 42 22.701 44.048 54.371 1.00 25.51 O -ATOM 198 CB VAL A 42 25.459 45.381 55.656 1.00 29.28 C -ATOM 199 CG1 VAL A 42 24.489 45.007 56.787 1.00 33.72 C -ATOM 200 CG2 VAL A 42 26.884 45.061 56.034 1.00 29.96 C -ATOM 201 N HIS A 43 23.126 46.097 53.662 1.00 29.02 N -ATOM 202 CA HIS A 43 21.716 46.362 53.407 1.00 30.86 C -ATOM 203 C HIS A 43 21.124 45.459 52.359 1.00 27.92 C -ATOM 204 O HIS A 43 19.963 45.091 52.418 1.00 27.71 O -ATOM 205 CB HIS A 43 21.531 47.853 53.020 1.00 37.84 C -ATOM 206 CG HIS A 43 21.560 48.722 54.243 1.00 43.72 C -ATOM 207 ND1 HIS A 43 22.410 49.790 54.391 1.00 46.93 N -ATOM 208 CD2 HIS A 43 20.841 48.635 55.399 1.00 42.69 C -ATOM 209 CE1 HIS A 43 22.214 50.334 55.581 1.00 48.92 C -ATOM 210 NE2 HIS A 43 21.269 49.650 56.204 1.00 47.14 N -ATOM 211 N ALA A 44 21.952 45.011 51.393 1.00 27.80 N -ATOM 212 CA ALA A 44 21.406 44.101 50.376 1.00 28.50 C -ATOM 213 C ALA A 44 21.083 42.766 51.016 1.00 25.74 C -ATOM 214 O ALA A 44 20.161 42.049 50.605 1.00 27.86 O -ATOM 215 CB ALA A 44 22.467 43.936 49.271 1.00 27.17 C -ATOM 216 N LEU A 45 21.906 42.365 51.984 1.00 24.10 N -ATOM 217 CA LEU A 45 21.679 41.071 52.654 1.00 22.81 C -ATOM 218 C LEU A 45 20.436 41.173 53.548 1.00 24.68 C -ATOM 219 O LEU A 45 19.571 40.294 53.543 1.00 25.64 O -ATOM 220 CB LEU A 45 22.906 40.744 53.539 1.00 22.89 C -ATOM 221 CG LEU A 45 24.232 40.466 52.829 1.00 25.94 C -ATOM 222 CD1 LEU A 45 25.411 40.363 53.800 1.00 22.96 C -ATOM 223 CD2 LEU A 45 24.154 39.175 52.012 1.00 25.03 C -ATOM 224 N LEU A 46 20.336 42.301 54.254 1.00 25.53 N -ATOM 225 CA LEU A 46 19.218 42.532 55.187 1.00 29.86 C -ATOM 226 C LEU A 46 17.880 42.734 54.494 1.00 32.45 C -ATOM 227 O LEU A 46 16.811 42.530 55.086 1.00 31.86 O -ATOM 228 CB LEU A 46 19.534 43.729 56.085 1.00 28.35 C -ATOM 229 CG LEU A 46 20.565 43.604 57.189 1.00 30.58 C -ATOM 230 CD1 LEU A 46 20.824 44.968 57.852 1.00 31.14 C -ATOM 231 CD2 LEU A 46 20.090 42.608 58.243 1.00 34.76 C -ATOM 232 N ALA A 47 17.899 43.009 53.188 1.00 34.42 N -ATOM 233 CA ALA A 47 16.704 43.175 52.386 1.00 35.14 C -ATOM 234 C ALA A 47 15.874 41.922 52.252 1.00 35.20 C -ATOM 235 O ALA A 47 14.643 41.969 52.052 1.00 37.04 O -ATOM 236 CB ALA A 47 17.041 43.761 51.025 1.00 37.55 C -ATOM 237 N HIS A 48 16.474 40.738 52.372 1.00 34.03 N -ATOM 238 CA HIS A 48 15.681 39.504 52.266 1.00 32.74 C -ATOM 239 C HIS A 48 15.187 39.139 53.667 1.00 35.25 C -ATOM 240 O HIS A 48 15.993 39.120 54.602 1.00 32.95 O -ATOM 241 CB HIS A 48 16.565 38.365 51.745 1.00 31.33 C -ATOM 242 CG HIS A 48 15.763 37.175 51.350 1.00 32.45 C -ATOM 243 ND1 HIS A 48 15.156 36.329 52.236 1.00 30.75 N -ATOM 244 CD2 HIS A 48 15.459 36.704 50.104 1.00 35.76 C -ATOM 245 CE1 HIS A 48 14.528 35.361 51.590 1.00 32.63 C -ATOM 246 NE2 HIS A 48 14.714 35.572 50.288 1.00 35.24 N -ATOM 247 N PRO A 49 13.923 38.784 53.797 1.00 35.51 N -ATOM 248 CA PRO A 49 13.320 38.482 55.074 1.00 34.76 C -ATOM 249 C PRO A 49 13.896 37.306 55.799 1.00 34.41 C -ATOM 250 O PRO A 49 13.807 37.260 57.040 1.00 33.71 O -ATOM 251 CB PRO A 49 11.841 38.291 54.780 1.00 37.16 C -ATOM 252 CG PRO A 49 11.730 38.137 53.321 1.00 36.82 C -ATOM 253 CD PRO A 49 12.930 38.765 52.693 1.00 38.02 C -ATOM 254 N ARG A 50 14.509 36.334 55.106 1.00 30.12 N -ATOM 255 CA ARG A 50 15.078 35.209 55.854 1.00 29.25 C -ATOM 256 C ARG A 50 16.384 35.636 56.516 1.00 25.95 C -ATOM 257 O ARG A 50 16.875 34.937 57.395 1.00 26.82 O -ATOM 258 CB ARG A 50 15.334 33.999 54.955 1.00 26.77 C -ATOM 259 CG ARG A 50 14.120 33.206 54.534 1.00 30.75 C -ATOM 260 CD ARG A 50 14.514 32.031 53.621 1.00 27.88 C -ATOM 261 NE ARG A 50 15.343 31.063 54.359 1.00 30.45 N -ATOM 262 CZ ARG A 50 15.978 30.061 53.735 1.00 29.36 C -ATOM 263 NH1 ARG A 50 16.722 29.218 54.449 1.00 26.33 N -ATOM 264 NH2 ARG A 50 15.845 29.883 52.422 1.00 30.86 N -ATOM 265 N VAL A 51 17.025 36.734 56.053 1.00 25.65 N -ATOM 266 CA VAL A 51 18.308 37.060 56.702 1.00 25.37 C -ATOM 267 C VAL A 51 18.054 37.975 57.882 1.00 25.62 C -ATOM 268 O VAL A 51 18.033 39.190 57.821 1.00 26.92 O -ATOM 269 CB VAL A 51 19.478 37.277 55.835 1.00 32.11 C -ATOM 270 CG1 VAL A 51 19.235 37.031 54.355 1.00 25.93 C -ATOM 271 CG2 VAL A 51 20.404 38.408 56.122 1.00 28.20 C -ATOM 272 N LYS A 52 17.900 37.300 59.036 1.00 25.74 N -ATOM 273 CA LYS A 52 17.513 38.027 60.260 1.00 26.48 C -ATOM 274 C LYS A 52 18.639 38.808 60.883 1.00 26.83 C -ATOM 275 O LYS A 52 18.452 39.831 61.571 1.00 26.09 O -ATOM 276 CB LYS A 52 16.968 36.995 61.237 1.00 28.86 C -ATOM 277 CG LYS A 52 15.868 36.106 60.658 1.00 32.00 C -ATOM 278 CD LYS A 52 14.566 36.856 60.488 1.00 38.78 C -ATOM 279 CE LYS A 52 13.435 35.915 60.043 1.00 37.45 C -ATOM 280 NZ LYS A 52 12.848 35.246 61.268 1.00 43.09 N -ATOM 281 N ARG A 53 19.861 38.289 60.715 1.00 25.14 N -ATOM 282 CA ARG A 53 21.010 38.957 61.341 1.00 21.90 C -ATOM 283 C ARG A 53 22.216 38.928 60.401 1.00 23.95 C -ATOM 284 O ARG A 53 22.337 38.016 59.589 1.00 24.11 O -ATOM 285 CB ARG A 53 21.424 38.092 62.573 1.00 22.11 C -ATOM 286 CG ARG A 53 20.332 37.889 63.593 1.00 22.73 C -ATOM 287 CD ARG A 53 20.801 37.000 64.789 1.00 26.41 C -ATOM 288 NE ARG A 53 22.064 37.620 65.314 1.00 24.05 N -ATOM 289 CZ ARG A 53 23.062 36.835 65.697 1.00 20.81 C -ATOM 290 NH1 ARG A 53 24.204 37.354 66.131 1.00 22.43 N -ATOM 291 NH2 ARG A 53 22.881 35.503 65.675 1.00 22.67 N -ATOM 292 N VAL A 54 23.061 39.925 60.593 1.00 22.84 N -ATOM 293 CA VAL A 54 24.317 39.986 59.850 1.00 23.78 C -ATOM 294 C VAL A 54 25.443 40.136 60.901 1.00 23.00 C -ATOM 295 O VAL A 54 25.371 41.027 61.745 1.00 25.61 O -ATOM 296 CB VAL A 54 24.394 41.156 58.880 1.00 25.85 C -ATOM 297 CG1 VAL A 54 25.804 41.197 58.265 1.00 24.88 C -ATOM 298 CG2 VAL A 54 23.370 41.040 57.759 1.00 25.49 C -ATOM 299 N VAL A 55 26.355 39.192 60.898 1.00 22.02 N -ATOM 300 CA VAL A 55 27.527 39.242 61.785 1.00 21.32 C -ATOM 301 C VAL A 55 28.688 39.845 60.980 1.00 25.02 C -ATOM 302 O VAL A 55 28.987 39.294 59.895 1.00 23.43 O -ATOM 303 CB VAL A 55 27.908 37.854 62.262 1.00 22.47 C -ATOM 304 CG1 VAL A 55 29.187 37.883 63.139 1.00 20.74 C -ATOM 305 CG2 VAL A 55 26.788 37.208 63.094 1.00 20.35 C -ATOM 306 N ILE A 56 29.282 40.922 61.422 1.00 22.60 N -ATOM 307 CA ILE A 56 30.400 41.532 60.691 1.00 25.01 C -ATOM 308 C ILE A 56 31.680 41.309 61.477 1.00 24.79 C -ATOM 309 O ILE A 56 31.716 41.560 62.700 1.00 26.00 O -ATOM 310 CB ILE A 56 30.185 43.034 60.454 1.00 22.45 C -ATOM 311 CG1 ILE A 56 28.843 43.255 59.736 1.00 21.25 C -ATOM 312 CG2 ILE A 56 31.328 43.624 59.641 1.00 23.53 C -ATOM 313 CD1 ILE A 56 28.373 44.664 59.600 1.00 25.02 C -ATOM 314 N ALA A 57 32.670 40.691 60.837 1.00 24.87 N -ATOM 315 CA ALA A 57 33.959 40.485 61.579 1.00 27.69 C -ATOM 316 C ALA A 57 34.796 41.734 61.367 1.00 31.23 C -ATOM 317 O ALA A 57 35.038 42.121 60.194 1.00 29.45 O -ATOM 318 CB ALA A 57 34.650 39.244 61.056 1.00 31.60 C -ATOM 319 N ILE A 58 35.214 42.377 62.447 1.00 29.37 N -ATOM 320 CA ILE A 58 35.972 43.630 62.354 1.00 35.32 C -ATOM 321 C ILE A 58 37.282 43.517 63.118 1.00 36.76 C -ATOM 322 O ILE A 58 37.396 42.776 64.098 1.00 36.78 O -ATOM 323 CB ILE A 58 35.112 44.751 62.980 1.00 33.86 C -ATOM 324 CG1 ILE A 58 33.930 45.103 62.062 1.00 32.10 C -ATOM 325 CG2 ILE A 58 35.902 45.983 63.333 1.00 35.74 C -ATOM 326 CD1 ILE A 58 34.309 45.509 60.657 1.00 32.50 C -ATOM 327 N SER A 59 38.328 44.169 62.613 1.00 41.28 N -ATOM 328 CA SER A 59 39.610 44.096 63.359 1.00 45.65 C -ATOM 329 C SER A 59 39.615 45.172 64.454 1.00 46.42 C -ATOM 330 O SER A 59 39.121 46.279 64.177 1.00 46.09 O -ATOM 331 CB SER A 59 40.768 44.293 62.399 1.00 51.23 C -ATOM 332 OG SER A 59 40.355 45.054 61.271 1.00 57.04 O -ATOM 333 N SER A 63 38.449 53.747 65.178 1.00 57.66 N -ATOM 334 CA SER A 63 38.424 52.916 63.976 1.00 56.69 C -ATOM 335 C SER A 63 37.224 53.263 63.094 1.00 55.37 C -ATOM 336 O SER A 63 36.149 53.586 63.601 1.00 55.52 O -ATOM 337 CB SER A 63 38.421 51.435 64.357 1.00 58.45 C -ATOM 338 OG SER A 63 38.770 50.609 63.272 1.00 59.78 O -ATOM 339 N ARG A 64 37.400 53.100 61.792 1.00 53.57 N -ATOM 340 CA ARG A 64 36.420 53.406 60.767 1.00 50.33 C -ATOM 341 C ARG A 64 35.056 52.793 60.999 1.00 48.56 C -ATOM 342 O ARG A 64 34.034 53.509 60.938 1.00 48.61 O -ATOM 343 CB AARG A 64 36.977 52.977 59.398 0.65 51.50 C -ATOM 344 CB BARG A 64 36.985 52.990 59.394 0.35 47.75 C -ATOM 345 CG AARG A 64 36.380 53.705 58.229 0.65 51.33 C -ATOM 346 CG BARG A 64 36.425 53.747 58.211 0.35 46.22 C -ATOM 347 CD AARG A 64 37.120 55.020 57.931 0.65 51.34 C -ATOM 348 CD BARG A 64 37.047 55.108 58.027 0.35 44.91 C -ATOM 349 NE AARG A 64 36.474 55.658 56.764 0.65 49.41 N -ATOM 350 NE BARG A 64 38.028 55.202 56.966 0.35 43.58 N -ATOM 351 CZ AARG A 64 35.223 56.112 56.824 0.65 50.14 C -ATOM 352 CZ BARG A 64 39.320 54.936 57.062 0.35 42.83 C -ATOM 353 NH1AARG A 64 34.658 56.673 55.764 0.65 52.22 N -ATOM 354 NH1BARG A 64 40.118 55.072 56.008 0.35 43.34 N -ATOM 355 NH2AARG A 64 34.523 56.028 57.948 0.65 49.19 N -ATOM 356 NH2BARG A 64 39.837 54.540 58.218 0.35 42.64 N -ATOM 357 N PHE A 65 34.950 51.509 61.327 1.00 48.22 N -ATOM 358 CA PHE A 65 33.670 50.866 61.546 1.00 44.45 C -ATOM 359 C PHE A 65 32.796 51.514 62.601 1.00 45.08 C -ATOM 360 O PHE A 65 31.562 51.600 62.477 1.00 44.20 O -ATOM 361 CB PHE A 65 33.862 49.375 61.924 1.00 42.26 C -ATOM 362 CG PHE A 65 32.506 48.705 62.020 1.00 41.40 C -ATOM 363 CD1 PHE A 65 31.930 48.463 63.257 1.00 40.92 C -ATOM 364 CD2 PHE A 65 31.803 48.370 60.879 1.00 36.95 C -ATOM 365 CE1 PHE A 65 30.679 47.870 63.330 1.00 40.53 C -ATOM 366 CE2 PHE A 65 30.562 47.789 60.943 1.00 37.79 C -ATOM 367 CZ PHE A 65 29.993 47.529 62.189 1.00 41.21 C -ATOM 368 N ALA A 66 33.402 51.917 63.705 1.00 46.43 N -ATOM 369 CA ALA A 66 32.683 52.542 64.798 1.00 46.39 C -ATOM 370 C ALA A 66 31.947 53.806 64.450 1.00 46.07 C -ATOM 371 O ALA A 66 30.883 54.070 65.044 1.00 47.11 O -ATOM 372 CB ALA A 66 33.625 52.753 65.981 1.00 47.78 C -ATOM 373 N GLN A 67 32.362 54.592 63.457 1.00 45.11 N -ATOM 374 CA GLN A 67 31.661 55.830 63.122 1.00 42.66 C -ATOM 375 C GLN A 67 30.407 55.597 62.313 1.00 41.33 C -ATOM 376 O GLN A 67 29.495 56.425 62.235 1.00 40.86 O -ATOM 377 CB GLN A 67 32.622 56.789 62.415 1.00 49.11 C -ATOM 378 CG GLN A 67 32.612 56.711 60.898 1.00 57.07 C -ATOM 379 CD GLN A 67 31.561 57.578 60.248 1.00 55.36 C -ATOM 380 OE1 GLN A 67 31.281 57.482 59.054 1.00 58.86 O -ATOM 381 NE2 GLN A 67 30.927 58.451 61.032 1.00 59.97 N -ATOM 382 N LEU A 68 30.303 54.418 61.692 1.00 38.03 N -ATOM 383 CA LEU A 68 29.165 54.068 60.866 1.00 34.81 C -ATOM 384 C LEU A 68 27.957 53.716 61.701 1.00 35.44 C -ATOM 385 O LEU A 68 28.119 53.213 62.817 1.00 35.64 O -ATOM 386 CB LEU A 68 29.589 52.763 60.098 1.00 35.45 C -ATOM 387 CG LEU A 68 30.442 52.942 58.863 1.00 39.16 C -ATOM 388 CD1 LEU A 68 31.737 53.678 59.100 1.00 39.58 C -ATOM 389 CD2 LEU A 68 30.738 51.546 58.234 1.00 29.74 C -ATOM 390 N PRO A 69 26.744 53.871 61.175 1.00 36.89 N -ATOM 391 CA PRO A 69 25.556 53.502 61.912 1.00 38.44 C -ATOM 392 C PRO A 69 25.332 51.999 61.991 1.00 39.85 C -ATOM 393 O PRO A 69 24.430 51.547 62.717 1.00 41.77 O -ATOM 394 CB PRO A 69 24.419 54.170 61.179 1.00 38.59 C -ATOM 395 CG PRO A 69 24.938 54.678 59.900 1.00 40.27 C -ATOM 396 CD PRO A 69 26.430 54.533 59.897 1.00 39.15 C -ATOM 397 N LEU A 70 26.123 51.187 61.288 1.00 40.27 N -ATOM 398 CA LEU A 70 25.984 49.738 61.317 1.00 39.77 C -ATOM 399 C LEU A 70 26.169 49.161 62.700 1.00 41.87 C -ATOM 400 O LEU A 70 25.499 48.207 63.112 1.00 41.16 O -ATOM 401 CB LEU A 70 27.029 49.118 60.364 1.00 40.94 C -ATOM 402 CG LEU A 70 26.566 48.593 59.017 1.00 40.79 C -ATOM 403 CD1 LEU A 70 25.239 49.115 58.560 1.00 38.43 C -ATOM 404 CD2 LEU A 70 27.662 48.791 57.974 1.00 41.77 C -ATOM 405 N ALA A 71 27.126 49.686 63.445 1.00 43.85 N -ATOM 406 CA ALA A 71 27.456 49.286 64.782 1.00 46.11 C -ATOM 407 C ALA A 71 26.266 49.216 65.729 1.00 46.25 C -ATOM 408 O ALA A 71 26.140 48.261 66.511 1.00 47.89 O -ATOM 409 CB ALA A 71 28.473 50.315 65.332 1.00 48.60 C -ATOM 410 N ASN A 72 25.347 50.161 65.630 1.00 44.89 N -ATOM 411 CA ASN A 72 24.189 50.199 66.520 1.00 43.59 C -ATOM 412 C ASN A 72 22.927 49.672 65.884 1.00 40.78 C -ATOM 413 O ASN A 72 21.841 49.842 66.450 1.00 42.52 O -ATOM 414 CB ASN A 72 23.990 51.669 66.964 1.00 48.53 C -ATOM 415 CG ASN A 72 23.792 51.817 68.451 1.00 51.18 C -ATOM 416 OD1 ASN A 72 23.366 50.900 69.162 1.00 48.06 O -ATOM 417 ND2 ASN A 72 24.123 53.003 68.980 1.00 54.95 N -ATOM 418 N HIS A 73 23.014 48.958 64.761 1.00 36.78 N -ATOM 419 CA HIS A 73 21.771 48.457 64.113 1.00 32.82 C -ATOM 420 C HIS A 73 21.284 47.263 64.905 1.00 31.94 C -ATOM 421 O HIS A 73 22.098 46.419 65.299 1.00 29.25 O -ATOM 422 CB HIS A 73 22.086 48.146 62.648 1.00 29.36 C -ATOM 423 CG HIS A 73 20.942 47.653 61.823 1.00 26.88 C -ATOM 424 ND1 HIS A 73 20.478 48.296 60.696 1.00 34.67 N -ATOM 425 CD2 HIS A 73 20.135 46.586 61.971 1.00 26.49 C -ATOM 426 CE1 HIS A 73 19.448 47.666 60.189 1.00 30.29 C -ATOM 427 NE2 HIS A 73 19.230 46.577 60.958 1.00 32.45 N -ATOM 428 N PRO A 74 19.983 47.077 65.076 1.00 30.99 N -ATOM 429 CA PRO A 74 19.453 45.970 65.849 1.00 31.29 C -ATOM 430 C PRO A 74 19.694 44.597 65.240 1.00 28.92 C -ATOM 431 O PRO A 74 19.656 43.591 65.952 1.00 26.68 O -ATOM 432 CB PRO A 74 17.966 46.271 65.964 1.00 32.85 C -ATOM 433 CG PRO A 74 17.667 47.256 64.905 1.00 33.77 C -ATOM 434 CD PRO A 74 18.928 48.049 64.685 1.00 33.62 C -ATOM 435 N GLN A 75 20.033 44.541 63.947 1.00 25.56 N -ATOM 436 CA GLN A 75 20.266 43.219 63.329 1.00 27.59 C -ATOM 437 C GLN A 75 21.726 42.933 63.112 1.00 25.36 C -ATOM 438 O GLN A 75 22.088 41.894 62.539 1.00 27.46 O -ATOM 439 CB GLN A 75 19.544 43.198 61.955 1.00 26.43 C -ATOM 440 CG GLN A 75 18.018 43.136 62.135 1.00 26.99 C -ATOM 441 CD GLN A 75 17.290 43.181 60.816 1.00 31.07 C -ATOM 442 OE1 GLN A 75 17.077 44.262 60.261 1.00 32.42 O -ATOM 443 NE2 GLN A 75 16.966 42.009 60.269 1.00 29.18 N -ATOM 444 N ILE A 76 22.594 43.860 63.531 1.00 24.81 N -ATOM 445 CA ILE A 76 24.018 43.662 63.279 1.00 25.04 C -ATOM 446 C ILE A 76 24.835 43.339 64.499 1.00 26.06 C -ATOM 447 O ILE A 76 24.966 44.162 65.420 1.00 26.18 O -ATOM 448 CB ILE A 76 24.582 44.903 62.537 1.00 29.23 C -ATOM 449 CG1 ILE A 76 23.958 44.882 61.114 1.00 33.10 C -ATOM 450 CG2 ILE A 76 26.083 44.880 62.486 1.00 29.01 C -ATOM 451 CD1 ILE A 76 24.283 46.092 60.281 1.00 41.03 C -ATOM 452 N THR A 77 25.551 42.228 64.426 1.00 21.78 N -ATOM 453 CA THR A 77 26.433 41.755 65.464 1.00 21.73 C -ATOM 454 C THR A 77 27.884 41.925 65.008 1.00 25.16 C -ATOM 455 O THR A 77 28.167 41.711 63.808 1.00 23.61 O -ATOM 456 CB THR A 77 26.160 40.260 65.765 1.00 21.67 C -ATOM 457 OG1 THR A 77 24.954 40.100 66.504 1.00 22.50 O -ATOM 458 CG2 THR A 77 27.297 39.604 66.526 1.00 21.10 C -ATOM 459 N VAL A 78 28.761 42.263 65.924 1.00 23.17 N -ATOM 460 CA VAL A 78 30.184 42.383 65.634 1.00 25.78 C -ATOM 461 C VAL A 78 30.966 41.288 66.366 1.00 26.99 C -ATOM 462 O VAL A 78 30.710 40.906 67.525 1.00 26.64 O -ATOM 463 CB VAL A 78 30.729 43.742 66.090 1.00 25.50 C -ATOM 464 CG1 VAL A 78 32.241 43.854 65.820 1.00 31.63 C -ATOM 465 CG2 VAL A 78 29.993 44.878 65.425 1.00 28.75 C -ATOM 466 N VAL A 79 31.952 40.715 65.674 1.00 26.09 N -ATOM 467 CA VAL A 79 32.840 39.726 66.237 1.00 26.49 C -ATOM 468 C VAL A 79 34.267 40.155 65.835 1.00 27.89 C -ATOM 469 O VAL A 79 34.371 41.015 64.970 1.00 25.15 O -ATOM 470 CB VAL A 79 32.625 38.272 65.792 1.00 28.14 C -ATOM 471 CG1 VAL A 79 31.243 37.789 66.197 1.00 24.90 C -ATOM 472 CG2 VAL A 79 32.855 38.157 64.287 1.00 22.79 C -ATOM 473 N ASP A 80 35.279 39.611 66.477 1.00 29.65 N -ATOM 474 CA ASP A 80 36.631 40.067 66.067 1.00 31.97 C -ATOM 475 C ASP A 80 37.047 39.321 64.796 1.00 33.66 C -ATOM 476 O ASP A 80 36.843 38.114 64.732 1.00 32.92 O -ATOM 477 CB ASP A 80 37.632 39.728 67.168 1.00 33.10 C -ATOM 478 CG ASP A 80 37.473 40.566 68.414 1.00 31.43 C -ATOM 479 OD1 ASP A 80 36.713 41.543 68.446 1.00 34.76 O -ATOM 480 OD2 ASP A 80 38.167 40.244 69.406 1.00 32.77 O -ATOM 481 N GLY A 81 37.706 40.020 63.887 1.00 35.85 N -ATOM 482 CA GLY A 81 38.201 39.362 62.663 1.00 39.84 C -ATOM 483 C GLY A 81 39.473 38.599 63.030 1.00 43.62 C -ATOM 484 O GLY A 81 40.054 38.883 64.080 1.00 43.88 O -ATOM 485 N GLY A 82 39.909 37.632 62.217 1.00 44.95 N -ATOM 486 CA GLY A 82 41.131 36.900 62.576 1.00 47.90 C -ATOM 487 C GLY A 82 42.234 37.079 61.534 1.00 49.12 C -ATOM 488 O GLY A 82 42.155 37.902 60.628 1.00 48.21 O -ATOM 489 N ASP A 83 43.282 36.256 61.677 1.00 49.15 N -ATOM 490 CA ASP A 83 44.418 36.309 60.767 1.00 50.02 C -ATOM 491 C ASP A 83 43.985 36.255 59.314 1.00 50.75 C -ATOM 492 O ASP A 83 44.452 37.088 58.522 1.00 51.23 O -ATOM 493 CB ASP A 83 45.438 35.226 61.104 1.00 50.90 C -ATOM 494 N GLU A 84 43.116 35.332 58.908 1.00 48.34 N -ATOM 495 CA GLU A 84 42.714 35.358 57.485 1.00 46.85 C -ATOM 496 C GLU A 84 41.205 35.350 57.358 1.00 45.32 C -ATOM 497 O GLU A 84 40.510 35.231 58.379 1.00 45.31 O -ATOM 498 CB GLU A 84 43.363 34.206 56.747 1.00 52.18 C -ATOM 499 CG GLU A 84 43.023 32.822 57.278 1.00 56.58 C -ATOM 500 CD GLU A 84 43.702 31.724 56.472 1.00 60.94 C -ATOM 501 OE1 GLU A 84 44.823 31.318 56.862 1.00 60.57 O -ATOM 502 OE2 GLU A 84 43.128 31.271 55.454 1.00 61.43 O -ATOM 503 N ARG A 85 40.685 35.486 56.143 1.00 42.50 N -ATOM 504 CA ARG A 85 39.247 35.448 55.913 1.00 39.41 C -ATOM 505 C ARG A 85 38.628 34.254 56.636 1.00 37.36 C -ATOM 506 O ARG A 85 37.637 34.403 57.346 1.00 34.16 O -ATOM 507 CB ARG A 85 38.922 35.366 54.416 1.00 39.80 C -ATOM 508 CG ARG A 85 37.435 35.333 54.109 1.00 40.28 C -ATOM 509 CD ARG A 85 37.087 34.671 52.791 1.00 39.27 C -ATOM 510 NE ARG A 85 35.676 34.781 52.443 1.00 39.66 N -ATOM 511 CZ ARG A 85 35.055 35.856 52.009 1.00 40.73 C -ATOM 512 NH1 ARG A 85 35.720 37.010 51.845 1.00 43.93 N -ATOM 513 NH2 ARG A 85 33.748 35.832 51.738 1.00 42.93 N -ATOM 514 N ALA A 86 39.190 33.054 56.467 1.00 35.82 N -ATOM 515 CA ALA A 86 38.667 31.863 57.099 1.00 36.89 C -ATOM 516 C ALA A 86 38.487 31.994 58.598 1.00 35.67 C -ATOM 517 O ALA A 86 37.436 31.612 59.130 1.00 34.53 O -ATOM 518 CB ALA A 86 39.529 30.632 56.796 1.00 40.12 C -ATOM 519 N ASP A 87 39.495 32.522 59.299 1.00 35.57 N -ATOM 520 CA ASP A 87 39.383 32.674 60.746 1.00 34.30 C -ATOM 521 C ASP A 87 38.214 33.594 61.086 1.00 31.58 C -ATOM 522 O ASP A 87 37.482 33.321 62.035 1.00 31.09 O -ATOM 523 CB ASP A 87 40.653 33.243 61.378 1.00 42.89 C -ATOM 524 CG ASP A 87 41.826 32.295 61.264 1.00 45.22 C -ATOM 525 OD1 ASP A 87 41.849 31.313 62.037 1.00 48.24 O -ATOM 526 OD2 ASP A 87 42.689 32.518 60.395 1.00 49.52 O -ATOM 527 N SER A 88 38.067 34.666 60.305 1.00 30.35 N -ATOM 528 CA SER A 88 36.990 35.614 60.518 1.00 28.06 C -ATOM 529 C SER A 88 35.624 34.953 60.375 1.00 26.84 C -ATOM 530 O SER A 88 34.664 35.251 61.105 1.00 22.79 O -ATOM 531 CB SER A 88 37.069 36.753 59.460 1.00 33.20 C -ATOM 532 OG SER A 88 38.046 37.684 59.840 1.00 39.02 O -ATOM 533 N VAL A 89 35.487 34.137 59.323 1.00 23.93 N -ATOM 534 CA VAL A 89 34.206 33.444 59.120 1.00 23.79 C -ATOM 535 C VAL A 89 33.882 32.542 60.278 1.00 23.63 C -ATOM 536 O VAL A 89 32.746 32.449 60.778 1.00 23.03 O -ATOM 537 CB VAL A 89 34.240 32.676 57.778 1.00 25.54 C -ATOM 538 CG1 VAL A 89 32.901 31.967 57.581 1.00 23.82 C -ATOM 539 CG2 VAL A 89 34.468 33.648 56.628 1.00 26.79 C -ATOM 540 N LEU A 90 34.857 31.768 60.779 1.00 23.72 N -ATOM 541 CA LEU A 90 34.573 30.896 61.936 1.00 24.56 C -ATOM 542 C LEU A 90 34.129 31.718 63.139 1.00 25.47 C -ATOM 543 O LEU A 90 33.290 31.267 63.927 1.00 25.04 O -ATOM 544 CB LEU A 90 35.834 30.094 62.279 1.00 28.73 C -ATOM 545 CG LEU A 90 36.150 28.932 61.354 1.00 30.96 C -ATOM 546 CD1 LEU A 90 37.494 28.315 61.696 1.00 28.66 C -ATOM 547 CD2 LEU A 90 35.044 27.878 61.448 1.00 28.16 C -ATOM 548 N ALA A 91 34.731 32.913 63.299 1.00 23.87 N -ATOM 549 CA ALA A 91 34.301 33.762 64.444 1.00 24.82 C -ATOM 550 C ALA A 91 32.870 34.192 64.254 1.00 22.37 C -ATOM 551 O ALA A 91 32.046 34.186 65.186 1.00 24.97 O -ATOM 552 CB ALA A 91 35.276 34.936 64.565 1.00 26.75 C -ATOM 553 N GLY A 92 32.482 34.481 63.015 1.00 22.60 N -ATOM 554 CA GLY A 92 31.111 34.837 62.660 1.00 23.98 C -ATOM 555 C GLY A 92 30.192 33.652 62.921 1.00 23.90 C -ATOM 556 O GLY A 92 29.063 33.820 63.405 1.00 23.49 O -ATOM 557 N LEU A 93 30.661 32.414 62.644 1.00 23.81 N -ATOM 558 CA LEU A 93 29.816 31.243 62.928 1.00 22.25 C -ATOM 559 C LEU A 93 29.573 31.082 64.428 1.00 23.12 C -ATOM 560 O LEU A 93 28.499 30.668 64.856 1.00 24.82 O -ATOM 561 CB LEU A 93 30.518 29.967 62.433 1.00 24.64 C -ATOM 562 CG LEU A 93 30.694 29.884 60.919 1.00 22.19 C -ATOM 563 CD1 LEU A 93 31.191 28.462 60.549 1.00 26.97 C -ATOM 564 CD2 LEU A 93 29.419 30.195 60.174 1.00 26.64 C -ATOM 565 N LYS A 94 30.531 31.466 65.243 1.00 21.18 N -ATOM 566 CA LYS A 94 30.365 31.371 66.696 1.00 21.64 C -ATOM 567 C LYS A 94 29.261 32.330 67.147 1.00 23.52 C -ATOM 568 O LYS A 94 28.738 32.162 68.269 1.00 24.26 O -ATOM 569 CB LYS A 94 31.645 31.712 67.440 1.00 27.21 C -ATOM 570 CG LYS A 94 32.624 30.541 67.495 1.00 32.58 C -ATOM 571 CD LYS A 94 33.947 30.998 68.098 1.00 36.17 C -ATOM 572 CE LYS A 94 34.871 29.791 68.290 1.00 42.38 C -ATOM 573 NZ LYS A 94 36.116 30.202 69.009 1.00 40.37 N -ATOM 574 N ALA A 95 28.942 33.329 66.349 1.00 21.86 N -ATOM 575 CA ALA A 95 27.910 34.284 66.694 1.00 23.27 C -ATOM 576 C ALA A 95 26.602 34.006 65.975 1.00 25.03 C -ATOM 577 O ALA A 95 25.644 34.770 66.172 1.00 24.90 O -ATOM 578 CB ALA A 95 28.340 35.712 66.311 1.00 22.29 C -ATOM 579 N ALA A 96 26.520 32.895 65.219 1.00 23.15 N -ATOM 580 CA ALA A 96 25.331 32.627 64.462 1.00 22.47 C -ATOM 581 C ALA A 96 24.134 32.094 65.178 1.00 24.55 C -ATOM 582 O ALA A 96 23.091 31.800 64.538 1.00 24.74 O -ATOM 583 CB ALA A 96 25.647 31.806 63.210 1.00 22.32 C -ATOM 584 N GLY A 97 24.174 31.887 66.498 1.00 24.38 N -ATOM 585 CA GLY A 97 22.944 31.415 67.152 1.00 26.16 C -ATOM 586 C GLY A 97 22.517 30.036 66.684 1.00 25.27 C -ATOM 587 O GLY A 97 23.339 29.142 66.447 1.00 26.01 O -ATOM 588 N ASP A 98 21.212 29.874 66.476 1.00 25.62 N -ATOM 589 CA ASP A 98 20.679 28.569 66.076 1.00 26.75 C -ATOM 590 C ASP A 98 20.509 28.462 64.564 1.00 28.19 C -ATOM 591 O ASP A 98 19.972 27.457 64.102 1.00 27.97 O -ATOM 592 CB AASP A 98 19.355 28.290 66.782 0.65 32.50 C -ATOM 593 CB BASP A 98 19.343 28.286 66.761 0.35 27.94 C -ATOM 594 CG AASP A 98 18.382 29.448 66.723 0.65 37.09 C -ATOM 595 CG BASP A 98 19.467 27.991 68.236 0.35 27.94 C -ATOM 596 OD1AASP A 98 18.528 30.353 65.867 0.65 42.60 O -ATOM 597 OD1BASP A 98 19.090 28.855 69.058 0.35 32.46 O -ATOM 598 OD2AASP A 98 17.440 29.473 67.548 0.65 41.23 O -ATOM 599 OD2BASP A 98 19.965 26.911 68.593 0.35 31.30 O -ATOM 600 N ALA A 99 21.034 29.464 63.842 1.00 24.61 N -ATOM 601 CA ALA A 99 20.951 29.441 62.396 1.00 26.67 C -ATOM 602 C ALA A 99 21.398 28.098 61.829 1.00 25.11 C -ATOM 603 O ALA A 99 22.565 27.712 61.922 1.00 26.53 O -ATOM 604 CB ALA A 99 21.818 30.552 61.792 1.00 26.58 C -ATOM 605 N GLN A 100 20.533 27.514 60.998 1.00 23.03 N -ATOM 606 CA GLN A 100 20.900 26.235 60.389 1.00 22.02 C -ATOM 607 C GLN A 100 21.682 26.435 59.087 1.00 22.91 C -ATOM 608 O GLN A 100 22.358 25.502 58.651 1.00 24.72 O -ATOM 609 CB GLN A 100 19.663 25.384 60.124 1.00 30.15 C -ATOM 610 CG GLN A 100 18.945 25.030 61.444 1.00 36.65 C -ATOM 611 CD GLN A 100 18.636 23.529 61.386 1.00 45.83 C -ATOM 612 OE1 GLN A 100 17.719 23.162 60.668 1.00 48.20 O -ATOM 613 NE2 GLN A 100 19.468 22.750 62.055 1.00 51.03 N -ATOM 614 N TRP A 101 21.489 27.581 58.460 1.00 21.97 N -ATOM 615 CA TRP A 101 22.175 27.897 57.187 1.00 23.51 C -ATOM 616 C TRP A 101 22.838 29.252 57.369 1.00 24.18 C -ATOM 617 O TRP A 101 22.304 30.129 58.073 1.00 23.01 O -ATOM 618 CB TRP A 101 21.158 27.947 56.040 1.00 20.73 C -ATOM 619 CG TRP A 101 20.854 26.583 55.491 1.00 22.81 C -ATOM 620 CD1 TRP A 101 20.007 25.655 56.036 1.00 28.93 C -ATOM 621 CD2 TRP A 101 21.342 26.022 54.276 1.00 23.23 C -ATOM 622 NE1 TRP A 101 19.985 24.518 55.254 1.00 26.48 N -ATOM 623 CE2 TRP A 101 20.790 24.728 54.156 1.00 29.75 C -ATOM 624 CE3 TRP A 101 22.211 26.468 53.274 1.00 25.68 C -ATOM 625 CZ2 TRP A 101 21.072 23.887 53.095 1.00 30.65 C -ATOM 626 CZ3 TRP A 101 22.516 25.609 52.229 1.00 27.13 C -ATOM 627 CH2 TRP A 101 21.928 24.344 52.123 1.00 26.54 C -ATOM 628 N VAL A 102 24.024 29.441 56.774 1.00 20.53 N -ATOM 629 CA VAL A 102 24.729 30.694 56.870 1.00 20.32 C -ATOM 630 C VAL A 102 25.075 31.249 55.471 1.00 21.61 C -ATOM 631 O VAL A 102 25.533 30.474 54.635 1.00 20.93 O -ATOM 632 CB VAL A 102 26.047 30.543 57.647 1.00 20.62 C -ATOM 633 CG1 VAL A 102 26.791 31.878 57.689 1.00 25.61 C -ATOM 634 CG2 VAL A 102 25.697 30.152 59.118 1.00 26.36 C -ATOM 635 N LEU A 103 24.928 32.531 55.328 1.00 21.39 N -ATOM 636 CA LEU A 103 25.267 33.260 54.093 1.00 24.76 C -ATOM 637 C LEU A 103 26.588 34.008 54.296 1.00 23.90 C -ATOM 638 O LEU A 103 26.556 34.991 55.060 1.00 28.06 O -ATOM 639 CB LEU A 103 24.183 34.307 53.877 1.00 26.90 C -ATOM 640 CG LEU A 103 23.128 34.380 52.864 1.00 34.74 C -ATOM 641 CD1 LEU A 103 22.588 35.827 52.721 1.00 29.16 C -ATOM 642 CD2 LEU A 103 23.472 33.849 51.476 1.00 24.33 C -ATOM 643 N VAL A 104 27.646 33.744 53.554 1.00 21.69 N -ATOM 644 CA VAL A 104 28.910 34.533 53.732 1.00 17.53 C -ATOM 645 C VAL A 104 29.063 35.451 52.530 1.00 19.38 C -ATOM 646 O VAL A 104 28.903 34.976 51.363 1.00 20.16 O -ATOM 647 CB VAL A 104 30.101 33.584 53.829 1.00 19.57 C -ATOM 648 CG1 VAL A 104 31.363 34.369 54.192 1.00 22.84 C -ATOM 649 CG2 VAL A 104 29.830 32.484 54.861 1.00 22.39 C -ATOM 650 N HIS A 105 29.254 36.743 52.758 1.00 20.50 N -ATOM 651 CA HIS A 105 29.300 37.697 51.627 1.00 20.91 C -ATOM 652 C HIS A 105 30.391 38.722 51.823 1.00 24.63 C -ATOM 653 O HIS A 105 30.677 39.200 52.918 1.00 24.22 O -ATOM 654 CB HIS A 105 27.902 38.374 51.545 1.00 21.40 C -ATOM 655 CG HIS A 105 27.780 39.398 50.469 1.00 23.75 C -ATOM 656 ND1 HIS A 105 27.881 39.063 49.123 1.00 20.51 N -ATOM 657 CD2 HIS A 105 27.592 40.740 50.520 1.00 21.81 C -ATOM 658 CE1 HIS A 105 27.758 40.150 48.392 1.00 26.10 C -ATOM 659 NE2 HIS A 105 27.559 41.175 49.198 1.00 24.91 N -ATOM 660 N ASP A 106 31.021 39.108 50.707 1.00 21.56 N -ATOM 661 CA ASP A 106 32.082 40.079 50.693 1.00 25.75 C -ATOM 662 C ASP A 106 31.574 41.474 51.123 1.00 23.88 C -ATOM 663 O ASP A 106 30.577 41.975 50.609 1.00 25.66 O -ATOM 664 CB ASP A 106 32.628 40.229 49.249 1.00 27.93 C -ATOM 665 CG ASP A 106 33.420 39.012 48.833 1.00 32.78 C -ATOM 666 OD1 ASP A 106 33.675 38.850 47.611 1.00 33.44 O -ATOM 667 OD2 ASP A 106 33.790 38.210 49.726 1.00 31.10 O -ATOM 668 N ALA A 107 32.397 42.112 51.928 1.00 26.43 N -ATOM 669 CA ALA A 107 32.075 43.469 52.402 1.00 28.12 C -ATOM 670 C ALA A 107 32.184 44.456 51.229 1.00 29.29 C -ATOM 671 O ALA A 107 31.581 45.517 51.281 1.00 26.71 O -ATOM 672 CB ALA A 107 33.088 43.885 53.454 1.00 27.91 C -ATOM 673 N ALA A 108 32.934 44.075 50.192 1.00 27.93 N -ATOM 674 CA ALA A 108 33.150 44.957 49.061 1.00 28.77 C -ATOM 675 C ALA A 108 32.347 44.624 47.833 1.00 29.53 C -ATOM 676 O ALA A 108 32.639 45.063 46.710 1.00 29.43 O -ATOM 677 CB ALA A 108 34.668 45.047 48.790 1.00 30.74 C -ATOM 678 N ARG A 109 31.174 43.999 48.039 1.00 26.43 N -ATOM 679 CA ARG A 109 30.267 43.699 46.910 1.00 24.83 C -ATOM 680 C ARG A 109 28.950 44.405 47.244 1.00 26.57 C -ATOM 681 O ARG A 109 28.085 43.790 47.840 1.00 28.75 O -ATOM 682 CB ARG A 109 30.035 42.201 46.779 1.00 24.52 C -ATOM 683 CG ARG A 109 31.190 41.436 46.104 1.00 27.71 C -ATOM 684 CD ARG A 109 30.771 39.949 45.866 1.00 29.48 C -ATOM 685 NE ARG A 109 31.982 39.269 45.309 1.00 28.24 N -ATOM 686 CZ ARG A 109 32.279 39.227 44.025 1.00 29.66 C -ATOM 687 NH1 ARG A 109 31.508 39.766 43.102 1.00 30.23 N -ATOM 688 NH2 ARG A 109 33.408 38.661 43.606 1.00 25.61 N -ATOM 689 N PRO A 110 28.793 45.660 46.816 1.00 25.98 N -ATOM 690 CA PRO A 110 27.603 46.433 47.085 1.00 27.72 C -ATOM 691 C PRO A 110 26.413 46.209 46.246 1.00 28.45 C -ATOM 692 O PRO A 110 25.293 46.665 46.552 1.00 29.75 O -ATOM 693 CB PRO A 110 28.138 47.899 46.870 1.00 26.65 C -ATOM 694 CG PRO A 110 29.068 47.705 45.689 1.00 26.24 C -ATOM 695 CD PRO A 110 29.799 46.392 46.015 1.00 25.99 C -ATOM 696 N CYS A 111 26.572 45.527 45.091 1.00 27.82 N -ATOM 697 CA CYS A 111 25.533 45.324 44.148 1.00 27.58 C -ATOM 698 C CYS A 111 25.051 43.874 44.139 1.00 31.74 C -ATOM 699 O CYS A 111 25.737 42.984 43.573 1.00 34.08 O -ATOM 700 CB CYS A 111 25.997 45.662 42.694 1.00 29.83 C -ATOM 701 SG ACYS A 111 26.887 47.227 42.551 0.65 32.01 S -ATOM 702 SG BCYS A 111 24.573 45.688 41.579 0.35 23.10 S -ATOM 703 N LEU A 112 23.994 43.614 44.835 1.00 30.59 N -ATOM 704 CA LEU A 112 23.414 42.264 44.909 1.00 29.51 C -ATOM 705 C LEU A 112 21.924 42.467 44.619 1.00 31.97 C -ATOM 706 O LEU A 112 21.368 43.364 45.302 1.00 33.47 O -ATOM 707 CB LEU A 112 23.602 41.731 46.336 1.00 26.53 C -ATOM 708 CG LEU A 112 23.314 40.298 46.652 1.00 31.65 C -ATOM 709 CD1 LEU A 112 23.534 39.968 48.137 1.00 23.57 C -ATOM 710 CD2 LEU A 112 21.923 39.852 46.250 1.00 38.95 C -ATOM 711 N HIS A 113 21.338 41.729 43.720 1.00 30.78 N -ATOM 712 CA HIS A 113 19.895 41.867 43.453 1.00 33.82 C -ATOM 713 C HIS A 113 19.109 40.861 44.291 1.00 33.33 C -ATOM 714 O HIS A 113 19.556 39.727 44.492 1.00 31.84 O -ATOM 715 CB HIS A 113 19.596 41.609 41.994 1.00 35.99 C -ATOM 716 CG HIS A 113 20.083 42.615 41.014 1.00 40.10 C -ATOM 717 ND1 HIS A 113 19.233 43.120 40.030 1.00 43.33 N -ATOM 718 CD2 HIS A 113 21.283 43.181 40.806 1.00 41.86 C -ATOM 719 CE1 HIS A 113 19.915 43.953 39.267 1.00 44.18 C -ATOM 720 NE2 HIS A 113 21.152 44.026 39.722 1.00 44.23 N -ATOM 721 N GLN A 114 17.894 41.231 44.716 1.00 30.19 N -ATOM 722 CA GLN A 114 17.112 40.324 45.529 1.00 32.53 C -ATOM 723 C GLN A 114 16.710 39.060 44.837 1.00 29.96 C -ATOM 724 O GLN A 114 16.685 38.006 45.470 1.00 31.61 O -ATOM 725 CB GLN A 114 15.879 41.041 46.134 1.00 33.68 C -ATOM 726 CG GLN A 114 16.293 42.162 47.078 1.00 38.68 C -ATOM 727 CD GLN A 114 17.195 41.647 48.195 1.00 35.56 C -ATOM 728 OE1 GLN A 114 16.765 40.769 48.941 1.00 39.49 O -ATOM 729 NE2 GLN A 114 18.398 42.208 48.300 1.00 31.94 N -ATOM 730 N ASP A 115 16.413 39.086 43.530 1.00 30.78 N -ATOM 731 CA ASP A 115 16.042 37.867 42.852 1.00 29.91 C -ATOM 732 C ASP A 115 17.220 36.869 42.842 1.00 27.64 C -ATOM 733 O ASP A 115 16.958 35.693 43.047 1.00 28.56 O -ATOM 734 CB ASP A 115 15.473 38.070 41.470 1.00 33.76 C -ATOM 735 CG ASP A 115 16.394 38.817 40.536 1.00 38.18 C -ATOM 736 OD1 ASP A 115 17.495 39.240 40.963 1.00 35.10 O -ATOM 737 OD2 ASP A 115 15.989 38.996 39.358 1.00 43.48 O -ATOM 738 N ASP A 116 18.441 37.341 42.656 1.00 28.88 N -ATOM 739 CA ASP A 116 19.588 36.406 42.689 1.00 30.41 C -ATOM 740 C ASP A 116 19.772 35.919 44.126 1.00 30.06 C -ATOM 741 O ASP A 116 19.991 34.733 44.382 1.00 29.87 O -ATOM 742 CB ASP A 116 20.849 37.074 42.180 1.00 28.03 C -ATOM 743 CG ASP A 116 20.815 37.378 40.683 1.00 29.03 C -ATOM 744 OD1 ASP A 116 20.128 36.674 39.943 1.00 30.96 O -ATOM 745 OD2 ASP A 116 21.502 38.329 40.274 1.00 33.03 O -ATOM 746 N LEU A 117 19.665 36.834 45.106 1.00 28.54 N -ATOM 747 CA LEU A 117 19.789 36.339 46.503 1.00 29.01 C -ATOM 748 C LEU A 117 18.721 35.301 46.799 1.00 29.27 C -ATOM 749 O LEU A 117 18.994 34.238 47.375 1.00 28.99 O -ATOM 750 CB LEU A 117 19.717 37.532 47.472 1.00 28.95 C -ATOM 751 CG LEU A 117 19.721 37.218 48.954 1.00 28.48 C -ATOM 752 CD1 LEU A 117 20.977 36.382 49.328 1.00 29.57 C -ATOM 753 CD2 LEU A 117 19.749 38.500 49.803 1.00 26.56 C -ATOM 754 N ALA A 118 17.452 35.533 46.390 1.00 29.10 N -ATOM 755 CA ALA A 118 16.377 34.602 46.650 1.00 29.20 C -ATOM 756 C ALA A 118 16.654 33.233 46.030 1.00 30.33 C -ATOM 757 O ALA A 118 16.377 32.197 46.649 1.00 28.31 O -ATOM 758 CB ALA A 118 15.028 35.121 46.138 1.00 31.74 C -ATOM 759 N ARG A 119 17.181 33.243 44.801 1.00 28.44 N -ATOM 760 CA ARG A 119 17.499 31.995 44.130 1.00 27.14 C -ATOM 761 C ARG A 119 18.578 31.209 44.856 1.00 26.66 C -ATOM 762 O ARG A 119 18.496 29.989 44.956 1.00 25.38 O -ATOM 763 CB ARG A 119 17.839 32.244 42.645 1.00 28.29 C -ATOM 764 CG ARG A 119 16.634 31.877 41.797 1.00 37.93 C -ATOM 765 CD ARG A 119 16.467 32.597 40.497 1.00 42.52 C -ATOM 766 NE ARG A 119 17.513 33.495 40.130 1.00 40.25 N -ATOM 767 CZ ARG A 119 18.727 33.288 39.704 1.00 39.82 C -ATOM 768 NH1 ARG A 119 19.523 34.338 39.462 1.00 34.87 N -ATOM 769 NH2 ARG A 119 19.170 32.049 39.505 1.00 44.87 N -ATOM 770 N LEU A 120 19.565 31.875 45.408 1.00 24.78 N -ATOM 771 CA LEU A 120 20.610 31.195 46.188 1.00 23.39 C -ATOM 772 C LEU A 120 20.024 30.615 47.458 1.00 24.51 C -ATOM 773 O LEU A 120 20.234 29.443 47.820 1.00 21.71 O -ATOM 774 CB LEU A 120 21.718 32.192 46.504 1.00 23.34 C -ATOM 775 CG LEU A 120 22.864 31.627 47.389 1.00 22.41 C -ATOM 776 CD1 LEU A 120 23.628 30.572 46.581 1.00 24.74 C -ATOM 777 CD2 LEU A 120 23.785 32.726 47.841 1.00 23.09 C -ATOM 778 N LEU A 121 19.198 31.430 48.149 1.00 23.28 N -ATOM 779 CA LEU A 121 18.603 30.977 49.399 1.00 24.52 C -ATOM 780 C LEU A 121 17.707 29.767 49.226 1.00 26.29 C -ATOM 781 O LEU A 121 17.547 28.938 50.132 1.00 24.53 O -ATOM 782 CB LEU A 121 17.846 32.131 50.054 1.00 24.56 C -ATOM 783 CG LEU A 121 18.695 33.277 50.598 1.00 26.78 C -ATOM 784 CD1 LEU A 121 17.762 34.357 51.167 1.00 26.72 C -ATOM 785 CD2 LEU A 121 19.651 32.813 51.685 1.00 28.52 C -ATOM 786 N ALA A 122 17.128 29.608 48.044 1.00 25.12 N -ATOM 787 CA ALA A 122 16.278 28.469 47.727 1.00 27.69 C -ATOM 788 C ALA A 122 17.000 27.138 47.831 1.00 27.63 C -ATOM 789 O ALA A 122 16.393 26.094 48.097 1.00 29.99 O -ATOM 790 CB ALA A 122 15.701 28.651 46.317 1.00 25.47 C -ATOM 791 N LEU A 123 18.352 27.137 47.808 1.00 26.83 N -ATOM 792 CA LEU A 123 19.105 25.921 47.938 1.00 24.45 C -ATOM 793 C LEU A 123 18.837 25.155 49.219 1.00 25.50 C -ATOM 794 O LEU A 123 19.110 23.957 49.249 1.00 23.84 O -ATOM 795 CB LEU A 123 20.632 26.139 47.842 1.00 25.42 C -ATOM 796 CG LEU A 123 21.117 26.554 46.438 1.00 26.30 C -ATOM 797 CD1 LEU A 123 22.646 26.697 46.433 1.00 25.65 C -ATOM 798 CD2 LEU A 123 20.676 25.533 45.397 1.00 33.97 C -ATOM 799 N SER A 124 18.421 25.820 50.294 1.00 25.92 N -ATOM 800 CA SER A 124 18.215 25.160 51.559 1.00 28.40 C -ATOM 801 C SER A 124 17.098 24.132 51.511 1.00 30.18 C -ATOM 802 O SER A 124 17.097 23.202 52.326 1.00 29.68 O -ATOM 803 CB SER A 124 18.054 26.111 52.735 1.00 30.67 C -ATOM 804 OG SER A 124 16.939 26.950 52.644 1.00 31.44 O -ATOM 805 N GLU A 125 16.222 24.274 50.537 1.00 30.94 N -ATOM 806 CA GLU A 125 15.099 23.417 50.295 1.00 33.92 C -ATOM 807 C GLU A 125 15.477 22.147 49.561 1.00 34.04 C -ATOM 808 O GLU A 125 14.806 21.129 49.730 1.00 31.39 O -ATOM 809 CB GLU A 125 14.025 24.138 49.435 1.00 36.96 C -ATOM 810 CG GLU A 125 13.503 25.428 50.045 1.00 45.60 C -ATOM 811 CD GLU A 125 13.258 25.339 51.536 1.00 51.79 C -ATOM 812 OE1 GLU A 125 12.361 24.569 51.946 1.00 56.78 O -ATOM 813 OE2 GLU A 125 13.979 26.005 52.315 1.00 54.15 O -ATOM 814 N THR A 126 16.586 22.174 48.810 1.00 32.50 N -ATOM 815 CA THR A 126 16.970 21.025 48.023 1.00 32.59 C -ATOM 816 C THR A 126 18.394 20.537 48.191 1.00 32.30 C -ATOM 817 O THR A 126 18.711 19.493 47.580 1.00 33.17 O -ATOM 818 CB THR A 126 16.896 21.424 46.492 1.00 35.78 C -ATOM 819 OG1 THR A 126 17.738 22.585 46.329 1.00 35.64 O -ATOM 820 CG2 THR A 126 15.487 21.762 46.073 1.00 39.86 C -ATOM 821 N SER A 127 19.285 21.267 48.827 1.00 29.05 N -ATOM 822 CA SER A 127 20.687 20.844 48.872 1.00 27.94 C -ATOM 823 C SER A 127 21.194 20.480 50.234 1.00 28.29 C -ATOM 824 O SER A 127 20.795 21.057 51.264 1.00 27.46 O -ATOM 825 CB SER A 127 21.549 22.066 48.386 1.00 27.13 C -ATOM 826 OG SER A 127 22.921 21.709 48.398 1.00 28.15 O -ATOM 827 N ARG A 128 22.171 19.556 50.260 1.00 26.49 N -ATOM 828 CA ARG A 128 22.796 19.241 51.545 1.00 28.37 C -ATOM 829 C ARG A 128 24.167 19.930 51.621 1.00 27.58 C -ATOM 830 O ARG A 128 24.846 19.771 52.619 1.00 27.35 O -ATOM 831 CB ARG A 128 23.035 17.746 51.721 1.00 30.68 C -ATOM 832 CG ARG A 128 21.817 16.921 52.048 1.00 33.73 C -ATOM 833 CD ARG A 128 22.299 15.524 52.520 1.00 39.64 C -ATOM 834 NE ARG A 128 21.171 14.689 52.911 1.00 44.15 N -ATOM 835 CZ ARG A 128 20.438 14.841 54.005 1.00 41.01 C -ATOM 836 NH1 ARG A 128 19.434 13.994 54.237 1.00 38.78 N -ATOM 837 NH2 ARG A 128 20.707 15.798 54.875 1.00 41.14 N -ATOM 838 N THR A 129 24.602 20.507 50.482 1.00 25.41 N -ATOM 839 CA THR A 129 25.939 21.117 50.466 1.00 23.74 C -ATOM 840 C THR A 129 25.905 22.626 50.396 1.00 23.59 C -ATOM 841 O THR A 129 26.863 23.282 50.867 1.00 25.67 O -ATOM 842 CB THR A 129 26.692 20.559 49.207 1.00 28.80 C -ATOM 843 OG1 THR A 129 26.695 19.124 49.306 1.00 31.86 O -ATOM 844 CG2 THR A 129 28.142 21.004 49.176 1.00 29.22 C -ATOM 845 N GLY A 130 24.916 23.230 49.785 1.00 21.39 N -ATOM 846 CA GLY A 130 24.887 24.689 49.646 1.00 18.52 C -ATOM 847 C GLY A 130 25.428 25.013 48.228 1.00 21.30 C -ATOM 848 O GLY A 130 25.461 24.148 47.357 1.00 19.71 O -ATOM 849 N GLY A 131 25.791 26.281 48.054 1.00 19.37 N -ATOM 850 CA GLY A 131 26.232 26.748 46.744 1.00 20.41 C -ATOM 851 C GLY A 131 26.584 28.240 46.792 1.00 20.20 C -ATOM 852 O GLY A 131 26.577 28.889 47.847 1.00 19.39 O -ATOM 853 N ILE A 132 27.003 28.742 45.628 1.00 18.89 N -ATOM 854 CA ILE A 132 27.427 30.114 45.465 1.00 18.62 C -ATOM 855 C ILE A 132 26.801 30.764 44.222 1.00 19.94 C -ATOM 856 O ILE A 132 26.436 30.058 43.288 1.00 19.68 O -ATOM 857 CB ILE A 132 28.976 30.207 45.297 1.00 21.01 C -ATOM 858 CG1 ILE A 132 29.414 29.684 43.912 1.00 19.81 C -ATOM 859 CG2 ILE A 132 29.686 29.419 46.404 1.00 19.03 C -ATOM 860 CD1 ILE A 132 30.891 30.049 43.642 1.00 18.82 C -ATOM 861 N LEU A 133 26.666 32.091 44.298 1.00 19.39 N -ATOM 862 CA LEU A 133 26.281 32.855 43.085 1.00 18.50 C -ATOM 863 C LEU A 133 27.534 32.839 42.166 1.00 20.36 C -ATOM 864 O LEU A 133 28.657 32.811 42.634 1.00 18.49 O -ATOM 865 CB LEU A 133 25.941 34.276 43.491 1.00 21.81 C -ATOM 866 CG LEU A 133 24.546 34.795 43.456 1.00 26.85 C -ATOM 867 CD1 LEU A 133 23.428 33.793 43.307 1.00 24.94 C -ATOM 868 CD2 LEU A 133 24.240 35.919 44.398 1.00 25.95 C -ATOM 869 N ALA A 134 27.308 32.722 40.870 1.00 20.33 N -ATOM 870 CA ALA A 134 28.437 32.674 39.913 1.00 21.69 C -ATOM 871 C ALA A 134 27.956 33.180 38.547 1.00 21.97 C -ATOM 872 O ALA A 134 26.761 33.171 38.289 1.00 20.99 O -ATOM 873 CB ALA A 134 28.867 31.212 39.756 1.00 22.49 C -ATOM 874 N ALA A 135 28.916 33.562 37.692 1.00 21.15 N -ATOM 875 CA ALA A 135 28.490 34.026 36.341 1.00 20.64 C -ATOM 876 C ALA A 135 29.364 33.271 35.345 1.00 24.90 C -ATOM 877 O ALA A 135 30.570 33.107 35.550 1.00 22.53 O -ATOM 878 CB ALA A 135 28.760 35.534 36.247 1.00 20.62 C -ATOM 879 N PRO A 136 28.778 32.733 34.297 1.00 27.06 N -ATOM 880 CA PRO A 136 29.539 31.970 33.315 1.00 27.60 C -ATOM 881 C PRO A 136 30.588 32.797 32.600 1.00 26.27 C -ATOM 882 O PRO A 136 30.468 33.986 32.381 1.00 25.21 O -ATOM 883 CB PRO A 136 28.488 31.481 32.309 1.00 30.30 C -ATOM 884 CG PRO A 136 27.184 31.614 33.034 1.00 32.33 C -ATOM 885 CD PRO A 136 27.345 32.863 33.920 1.00 29.88 C -ATOM 886 N VAL A 137 31.683 32.109 32.209 1.00 24.53 N -ATOM 887 CA VAL A 137 32.768 32.720 31.487 1.00 25.24 C -ATOM 888 C VAL A 137 32.412 32.631 29.981 1.00 27.88 C -ATOM 889 O VAL A 137 32.103 31.531 29.528 1.00 27.57 O -ATOM 890 CB VAL A 137 34.125 32.039 31.680 1.00 26.43 C -ATOM 891 CG1 VAL A 137 35.168 32.602 30.705 1.00 22.95 C -ATOM 892 CG2 VAL A 137 34.632 32.258 33.118 1.00 22.49 C -ATOM 893 N ARG A 138 32.425 33.785 29.345 1.00 27.88 N -ATOM 894 CA ARG A 138 32.051 33.797 27.914 1.00 28.77 C -ATOM 895 C ARG A 138 33.188 34.018 26.978 1.00 27.78 C -ATOM 896 O ARG A 138 33.048 33.736 25.763 1.00 28.48 O -ATOM 897 CB ARG A 138 30.893 34.793 27.709 1.00 37.49 C -ATOM 898 CG ARG A 138 29.626 34.181 28.327 1.00 45.57 C -ATOM 899 CD ARG A 138 28.459 35.141 28.412 1.00 54.68 C -ATOM 900 NE ARG A 138 27.393 34.563 29.220 1.00 61.56 N -ATOM 901 CZ ARG A 138 26.218 35.058 29.512 1.00 66.57 C -ATOM 902 NH1 ARG A 138 25.835 36.249 29.054 1.00 70.60 N -ATOM 903 NH2 ARG A 138 25.382 34.372 30.301 1.00 67.47 N -ATOM 904 N ASP A 139 34.281 34.579 27.419 1.00 25.49 N -ATOM 905 CA ASP A 139 35.444 34.759 26.560 1.00 24.82 C -ATOM 906 C ASP A 139 36.198 33.444 26.364 1.00 26.26 C -ATOM 907 O ASP A 139 36.140 32.506 27.156 1.00 23.27 O -ATOM 908 CB ASP A 139 36.425 35.720 27.293 1.00 22.27 C -ATOM 909 CG ASP A 139 35.922 37.163 27.266 1.00 22.20 C -ATOM 910 OD1 ASP A 139 36.346 37.942 28.109 1.00 23.65 O -ATOM 911 OD2 ASP A 139 35.116 37.531 26.373 1.00 23.33 O -ATOM 912 N THR A 140 36.912 33.373 25.226 1.00 21.46 N -ATOM 913 CA THR A 140 37.843 32.236 25.061 1.00 21.10 C -ATOM 914 C THR A 140 39.002 32.580 26.022 1.00 20.66 C -ATOM 915 O THR A 140 39.253 33.785 26.209 1.00 20.34 O -ATOM 916 CB THR A 140 38.368 32.276 23.586 1.00 24.12 C -ATOM 917 OG1 THR A 140 37.242 31.882 22.773 1.00 21.86 O -ATOM 918 CG2 THR A 140 39.544 31.371 23.389 1.00 22.80 C -ATOM 919 N MET A 141 39.495 31.605 26.757 1.00 19.23 N -ATOM 920 CA MET A 141 40.533 31.798 27.752 1.00 22.51 C -ATOM 921 C MET A 141 41.867 31.210 27.332 1.00 20.47 C -ATOM 922 O MET A 141 41.942 30.213 26.620 1.00 21.87 O -ATOM 923 CB MET A 141 40.098 31.151 29.088 1.00 21.40 C -ATOM 924 CG MET A 141 38.781 31.719 29.631 1.00 23.93 C -ATOM 925 SD MET A 141 38.742 33.451 29.981 1.00 21.38 S -ATOM 926 CE MET A 141 39.811 33.581 31.425 1.00 24.50 C -ATOM 927 N LYS A 142 42.949 31.861 27.768 1.00 22.00 N -ATOM 928 CA LYS A 142 44.277 31.399 27.422 1.00 21.45 C -ATOM 929 C LYS A 142 45.167 31.222 28.674 1.00 23.39 C -ATOM 930 O LYS A 142 45.098 32.026 29.598 1.00 21.82 O -ATOM 931 CB LYS A 142 44.990 32.463 26.556 1.00 19.95 C -ATOM 932 CG LYS A 142 44.218 32.810 25.291 1.00 19.42 C -ATOM 933 CD LYS A 142 44.021 31.672 24.312 1.00 20.14 C -ATOM 934 CE LYS A 142 43.264 32.251 23.056 1.00 21.36 C -ATOM 935 NZ LYS A 142 43.156 31.184 21.998 1.00 17.56 N -ATOM 936 N ARG A 143 45.998 30.197 28.623 1.00 22.17 N -ATOM 937 CA ARG A 143 47.017 30.015 29.678 1.00 24.92 C -ATOM 938 C ARG A 143 48.366 30.464 29.082 1.00 23.36 C -ATOM 939 O ARG A 143 48.749 29.997 27.995 1.00 27.00 O -ATOM 940 CB ARG A 143 47.134 28.543 30.067 1.00 25.63 C -ATOM 941 CG ARG A 143 48.245 28.323 31.119 1.00 27.95 C -ATOM 942 CD ARG A 143 47.725 28.707 32.491 1.00 28.05 C -ATOM 943 NE ARG A 143 46.539 27.868 32.873 1.00 26.06 N -ATOM 944 CZ ARG A 143 45.845 28.195 33.969 1.00 23.76 C -ATOM 945 NH1 ARG A 143 44.773 27.477 34.320 1.00 26.65 N -ATOM 946 NH2 ARG A 143 46.188 29.217 34.744 1.00 25.60 N -ATOM 947 N ALA A 144 49.068 31.363 29.742 1.00 26.56 N -ATOM 948 CA ALA A 144 50.337 31.864 29.248 1.00 25.84 C -ATOM 949 C ALA A 144 51.485 30.888 29.494 1.00 30.25 C -ATOM 950 O ALA A 144 51.366 30.016 30.371 1.00 28.19 O -ATOM 951 CB ALA A 144 50.668 33.175 29.981 1.00 30.90 C -ATOM 952 N GLU A 145 52.544 31.054 28.710 1.00 29.48 N -ATOM 953 CA GLU A 145 53.747 30.201 28.989 1.00 33.43 C -ATOM 954 C GLU A 145 54.334 30.788 30.269 1.00 31.27 C -ATOM 955 O GLU A 145 54.262 31.972 30.518 1.00 31.45 O -ATOM 956 CB GLU A 145 54.708 30.339 27.814 1.00 36.65 C -ATOM 957 CG GLU A 145 54.223 29.748 26.504 1.00 39.47 C -ATOM 958 CD GLU A 145 55.145 29.969 25.321 1.00 44.00 C -ATOM 959 OE1 GLU A 145 55.943 30.935 25.293 1.00 44.70 O -ATOM 960 OE2 GLU A 145 55.066 29.191 24.338 1.00 44.41 O -ATOM 961 N PRO A 146 54.865 29.956 31.168 1.00 35.07 N -ATOM 962 CA PRO A 146 55.415 30.430 32.419 1.00 34.62 C -ATOM 963 C PRO A 146 56.447 31.528 32.244 1.00 35.24 C -ATOM 964 O PRO A 146 57.401 31.339 31.470 1.00 38.18 O -ATOM 965 CB PRO A 146 56.068 29.168 33.000 1.00 36.64 C -ATOM 966 CG PRO A 146 55.307 28.034 32.417 1.00 35.31 C -ATOM 967 CD PRO A 146 54.896 28.486 31.027 1.00 34.29 C -ATOM 968 N GLY A 147 56.245 32.683 32.838 1.00 35.97 N -ATOM 969 CA GLY A 147 57.093 33.838 32.799 1.00 37.58 C -ATOM 970 C GLY A 147 57.186 34.568 31.477 1.00 40.32 C -ATOM 971 O GLY A 147 58.050 35.445 31.266 1.00 38.99 O -ATOM 972 N LYS A 148 56.292 34.249 30.528 1.00 38.91 N -ATOM 973 CA LYS A 148 56.347 34.926 29.225 1.00 39.57 C -ATOM 974 C LYS A 148 54.970 35.466 28.856 1.00 38.40 C -ATOM 975 O LYS A 148 53.947 35.040 29.412 1.00 37.50 O -ATOM 976 CB LYS A 148 56.895 33.986 28.165 1.00 40.43 C -ATOM 977 CG LYS A 148 58.176 33.247 28.462 1.00 43.24 C -ATOM 978 N ASN A 149 54.919 36.469 27.977 1.00 38.06 N -ATOM 979 CA ASN A 149 53.579 37.015 27.623 1.00 39.70 C -ATOM 980 C ASN A 149 53.184 36.459 26.254 1.00 38.09 C -ATOM 981 O ASN A 149 52.998 37.188 25.269 1.00 40.18 O -ATOM 982 CB ASN A 149 53.523 38.505 27.714 1.00 44.62 C -ATOM 983 CG ASN A 149 53.498 39.074 29.116 1.00 47.45 C -ATOM 984 OD1 ASN A 149 52.864 38.554 30.041 1.00 47.21 O -ATOM 985 ND2 ASN A 149 54.185 40.200 29.304 1.00 51.25 N -ATOM 986 N ALA A 150 53.163 35.157 26.186 1.00 34.06 N -ATOM 987 CA ALA A 150 52.835 34.363 25.035 1.00 32.19 C -ATOM 988 C ALA A 150 51.912 33.218 25.441 1.00 31.49 C -ATOM 989 O ALA A 150 51.907 32.686 26.557 1.00 28.59 O -ATOM 990 CB ALA A 150 54.060 33.872 24.317 1.00 36.06 C -ATOM 991 N ILE A 151 50.999 32.908 24.504 1.00 25.44 N -ATOM 992 CA ILE A 151 50.041 31.868 24.760 1.00 24.99 C -ATOM 993 C ILE A 151 50.625 30.482 24.730 1.00 26.39 C -ATOM 994 O ILE A 151 51.228 30.057 23.735 1.00 28.00 O -ATOM 995 CB ILE A 151 48.906 31.916 23.687 1.00 20.73 C -ATOM 996 CG1 ILE A 151 48.114 33.229 23.930 1.00 22.49 C -ATOM 997 CG2 ILE A 151 48.017 30.717 23.811 1.00 21.66 C -ATOM 998 CD1 ILE A 151 47.246 33.505 22.661 1.00 24.78 C -ATOM 999 N ALA A 152 50.411 29.741 25.818 1.00 25.33 N -ATOM 1000 CA ALA A 152 50.873 28.355 25.852 1.00 26.26 C -ATOM 1001 C ALA A 152 49.772 27.535 25.190 1.00 26.72 C -ATOM 1002 O ALA A 152 50.013 26.832 24.206 1.00 26.66 O -ATOM 1003 CB ALA A 152 51.154 27.913 27.289 1.00 28.97 C -ATOM 1004 N HIS A 153 48.515 27.742 25.608 1.00 26.66 N -ATOM 1005 CA HIS A 153 47.411 27.007 25.002 1.00 26.99 C -ATOM 1006 C HIS A 153 46.076 27.623 25.443 1.00 24.54 C -ATOM 1007 O HIS A 153 46.050 28.444 26.360 1.00 26.48 O -ATOM 1008 CB HIS A 153 47.385 25.524 25.345 1.00 29.55 C -ATOM 1009 CG HIS A 153 47.349 25.241 26.819 1.00 33.02 C -ATOM 1010 ND1 HIS A 153 46.189 25.292 27.560 1.00 36.74 N -ATOM 1011 CD2 HIS A 153 48.357 24.990 27.691 1.00 33.94 C -ATOM 1012 CE1 HIS A 153 46.482 25.087 28.837 1.00 35.97 C -ATOM 1013 NE2 HIS A 153 47.780 24.900 28.949 1.00 33.64 N -ATOM 1014 N THR A 154 45.009 27.159 24.791 1.00 24.47 N -ATOM 1015 CA THR A 154 43.673 27.666 25.195 1.00 23.21 C -ATOM 1016 C THR A 154 43.123 26.832 26.352 1.00 26.93 C -ATOM 1017 O THR A 154 43.408 25.644 26.472 1.00 28.70 O -ATOM 1018 CB THR A 154 42.721 27.561 23.993 1.00 23.87 C -ATOM 1019 OG1 THR A 154 43.147 28.522 23.033 1.00 24.73 O -ATOM 1020 CG2 THR A 154 41.277 27.831 24.397 1.00 23.45 C -ATOM 1021 N VAL A 155 42.431 27.506 27.267 1.00 27.33 N -ATOM 1022 CA VAL A 155 41.765 26.870 28.402 1.00 27.70 C -ATOM 1023 C VAL A 155 40.281 26.818 28.058 1.00 28.33 C -ATOM 1024 O VAL A 155 39.684 27.874 27.830 1.00 26.11 O -ATOM 1025 CB VAL A 155 41.940 27.672 29.711 1.00 29.07 C -ATOM 1026 CG1 VAL A 155 41.082 27.101 30.854 1.00 27.87 C -ATOM 1027 CG2 VAL A 155 43.401 27.666 30.138 1.00 29.61 C -ATOM 1028 N ASP A 156 39.731 25.610 27.982 1.00 28.86 N -ATOM 1029 CA ASP A 156 38.319 25.468 27.636 1.00 30.37 C -ATOM 1030 C ASP A 156 37.420 26.225 28.594 1.00 28.77 C -ATOM 1031 O ASP A 156 37.438 26.044 29.812 1.00 25.53 O -ATOM 1032 CB ASP A 156 37.950 23.983 27.545 1.00 35.43 C -ATOM 1033 CG ASP A 156 36.567 23.702 27.009 1.00 40.42 C -ATOM 1034 OD1 ASP A 156 36.153 22.510 27.029 1.00 48.04 O -ATOM 1035 OD2 ASP A 156 35.847 24.608 26.544 1.00 38.19 O -ATOM 1036 N ARG A 157 36.544 27.064 28.021 1.00 29.17 N -ATOM 1037 CA ARG A 157 35.631 27.878 28.816 1.00 28.90 C -ATOM 1038 C ARG A 157 34.337 27.190 29.120 1.00 29.68 C -ATOM 1039 O ARG A 157 33.491 27.705 29.859 1.00 26.38 O -ATOM 1040 CB ARG A 157 35.342 29.211 28.099 1.00 32.12 C -ATOM 1041 CG ARG A 157 34.598 29.034 26.772 1.00 34.65 C -ATOM 1042 CD ARG A 157 33.974 30.373 26.343 1.00 38.58 C -ATOM 1043 NE ARG A 157 32.779 30.192 25.576 1.00 51.20 N -ATOM 1044 CZ ARG A 157 32.261 30.900 24.597 1.00 57.79 C -ATOM 1045 NH1 ARG A 157 31.114 30.509 24.027 1.00 60.18 N -ATOM 1046 NH2 ARG A 157 32.847 31.996 24.128 1.00 62.00 N -ATOM 1047 N ASN A 158 34.092 26.037 28.433 1.00 28.84 N -ATOM 1048 CA ASN A 158 32.775 25.413 28.776 1.00 30.79 C -ATOM 1049 C ASN A 158 32.836 24.941 30.211 1.00 27.78 C -ATOM 1050 O ASN A 158 33.787 24.248 30.594 1.00 26.70 O -ATOM 1051 CB ASN A 158 32.518 24.234 27.833 1.00 36.75 C -ATOM 1052 CG ASN A 158 31.066 24.243 27.371 1.00 47.64 C -ATOM 1053 OD1 ASN A 158 30.195 23.650 28.001 1.00 48.01 O -ATOM 1054 ND2 ASN A 158 30.819 24.982 26.283 1.00 50.14 N -ATOM 1055 N GLY A 159 31.804 25.182 31.006 1.00 25.90 N -ATOM 1056 CA GLY A 159 31.839 24.732 32.417 1.00 23.80 C -ATOM 1057 C GLY A 159 32.721 25.652 33.275 1.00 24.73 C -ATOM 1058 O GLY A 159 32.965 25.311 34.455 1.00 24.38 O -ATOM 1059 N LEU A 160 33.199 26.753 32.781 1.00 22.54 N -ATOM 1060 CA LEU A 160 34.056 27.698 33.524 1.00 23.76 C -ATOM 1061 C LEU A 160 33.226 28.872 34.014 1.00 23.50 C -ATOM 1062 O LEU A 160 32.424 29.462 33.283 1.00 21.72 O -ATOM 1063 CB LEU A 160 35.198 28.144 32.600 1.00 27.65 C -ATOM 1064 CG LEU A 160 36.353 28.883 33.270 1.00 27.66 C -ATOM 1065 CD1 LEU A 160 37.087 27.951 34.247 1.00 25.84 C -ATOM 1066 CD2 LEU A 160 37.325 29.450 32.271 1.00 25.98 C -ATOM 1067 N TRP A 161 33.296 29.176 35.319 1.00 23.09 N -ATOM 1068 CA TRP A 161 32.506 30.216 35.920 1.00 22.21 C -ATOM 1069 C TRP A 161 33.283 31.191 36.813 1.00 21.58 C -ATOM 1070 O TRP A 161 34.273 30.833 37.442 1.00 19.90 O -ATOM 1071 CB TRP A 161 31.502 29.517 36.897 1.00 24.01 C -ATOM 1072 CG TRP A 161 30.455 28.675 36.269 1.00 25.26 C -ATOM 1073 CD1 TRP A 161 30.584 27.412 35.743 1.00 20.80 C -ATOM 1074 CD2 TRP A 161 29.068 29.015 36.138 1.00 25.80 C -ATOM 1075 NE1 TRP A 161 29.362 26.948 35.315 1.00 23.28 N -ATOM 1076 CE2 TRP A 161 28.431 27.938 35.507 1.00 28.20 C -ATOM 1077 CE3 TRP A 161 28.319 30.149 36.472 1.00 27.66 C -ATOM 1078 CZ2 TRP A 161 27.055 27.928 35.247 1.00 32.46 C -ATOM 1079 CZ3 TRP A 161 26.957 30.148 36.205 1.00 31.83 C -ATOM 1080 CH2 TRP A 161 26.348 29.047 35.585 1.00 34.24 C -ATOM 1081 N HIS A 162 32.847 32.449 36.804 1.00 21.88 N -ATOM 1082 CA HIS A 162 33.394 33.463 37.715 1.00 20.13 C -ATOM 1083 C HIS A 162 32.696 33.240 39.093 1.00 23.65 C -ATOM 1084 O HIS A 162 31.471 33.246 39.126 1.00 23.10 O -ATOM 1085 CB HIS A 162 32.968 34.851 37.262 1.00 23.33 C -ATOM 1086 CG HIS A 162 33.498 35.293 35.918 1.00 24.75 C -ATOM 1087 ND1 HIS A 162 34.692 35.977 35.799 1.00 23.55 N -ATOM 1088 CD2 HIS A 162 32.941 35.240 34.691 1.00 26.08 C -ATOM 1089 CE1 HIS A 162 34.864 36.287 34.512 1.00 25.74 C -ATOM 1090 NE2 HIS A 162 33.837 35.823 33.810 1.00 26.11 N -ATOM 1091 N ALA A 163 33.462 33.054 40.161 1.00 19.99 N -ATOM 1092 CA ALA A 163 32.832 32.869 41.465 1.00 21.96 C -ATOM 1093 C ALA A 163 32.409 34.221 42.035 1.00 20.96 C -ATOM 1094 O ALA A 163 33.150 35.187 41.891 1.00 23.61 O -ATOM 1095 CB ALA A 163 33.799 32.193 42.445 1.00 19.55 C -ATOM 1096 N LEU A 164 31.215 34.256 42.604 1.00 21.06 N -ATOM 1097 CA LEU A 164 30.753 35.528 43.226 1.00 20.17 C -ATOM 1098 C LEU A 164 30.384 35.183 44.703 1.00 21.65 C -ATOM 1099 O LEU A 164 30.644 34.071 45.169 1.00 19.54 O -ATOM 1100 CB LEU A 164 29.501 36.010 42.503 1.00 20.31 C -ATOM 1101 CG LEU A 164 29.626 36.177 40.959 1.00 20.14 C -ATOM 1102 CD1 LEU A 164 28.250 36.417 40.351 1.00 22.09 C -ATOM 1103 CD2 LEU A 164 30.554 37.350 40.650 1.00 24.08 C -ATOM 1104 N THR A 165 29.847 36.176 45.400 1.00 21.12 N -ATOM 1105 CA THR A 165 29.304 35.887 46.782 1.00 22.35 C -ATOM 1106 C THR A 165 27.923 36.545 46.720 1.00 23.87 C -ATOM 1107 O THR A 165 27.754 37.434 45.856 1.00 23.25 O -ATOM 1108 CB THR A 165 30.140 36.365 47.920 1.00 20.73 C -ATOM 1109 OG1 THR A 165 30.082 37.791 48.126 1.00 20.53 O -ATOM 1110 CG2 THR A 165 31.623 35.982 47.739 1.00 20.32 C -ATOM 1111 N PRO A 166 26.982 36.240 47.584 1.00 21.81 N -ATOM 1112 CA PRO A 166 27.142 35.349 48.689 1.00 19.85 C -ATOM 1113 C PRO A 166 27.422 33.886 48.357 1.00 20.04 C -ATOM 1114 O PRO A 166 27.209 33.402 47.234 1.00 20.89 O -ATOM 1115 CB PRO A 166 25.798 35.434 49.424 1.00 20.37 C -ATOM 1116 CG PRO A 166 25.202 36.751 49.031 1.00 22.05 C -ATOM 1117 CD PRO A 166 25.654 36.936 47.592 1.00 20.94 C -ATOM 1118 N GLN A 167 27.899 33.189 49.382 1.00 19.05 N -ATOM 1119 CA GLN A 167 28.161 31.716 49.333 1.00 18.77 C -ATOM 1120 C GLN A 167 27.291 31.211 50.496 1.00 20.90 C -ATOM 1121 O GLN A 167 27.432 31.785 51.606 1.00 21.32 O -ATOM 1122 CB GLN A 167 29.669 31.485 49.476 1.00 18.30 C -ATOM 1123 CG GLN A 167 30.431 32.194 48.307 1.00 20.53 C -ATOM 1124 CD GLN A 167 31.722 31.557 47.932 1.00 20.24 C -ATOM 1125 OE1 GLN A 167 32.265 30.678 48.641 1.00 19.31 O -ATOM 1126 NE2 GLN A 167 32.304 31.958 46.768 1.00 18.45 N -ATOM 1127 N PHE A 168 26.430 30.257 50.251 1.00 19.08 N -ATOM 1128 CA PHE A 168 25.417 29.800 51.206 1.00 20.11 C -ATOM 1129 C PHE A 168 25.536 28.348 51.557 1.00 20.03 C -ATOM 1130 O PHE A 168 25.499 27.474 50.692 1.00 20.13 O -ATOM 1131 CB PHE A 168 24.078 30.099 50.523 1.00 18.74 C -ATOM 1132 CG PHE A 168 22.860 29.869 51.392 1.00 19.18 C -ATOM 1133 CD1 PHE A 168 22.754 30.483 52.603 1.00 19.07 C -ATOM 1134 CD2 PHE A 168 21.776 29.186 50.831 1.00 22.59 C -ATOM 1135 CE1 PHE A 168 21.597 30.323 53.374 1.00 22.74 C -ATOM 1136 CE2 PHE A 168 20.620 29.006 51.606 1.00 24.07 C -ATOM 1137 CZ PHE A 168 20.549 29.571 52.852 1.00 21.03 C -ATOM 1138 N PHE A 169 25.704 28.047 52.869 1.00 20.19 N -ATOM 1139 CA PHE A 169 25.963 26.658 53.271 1.00 20.83 C -ATOM 1140 C PHE A 169 25.304 26.269 54.593 1.00 21.22 C -ATOM 1141 O PHE A 169 25.110 27.152 55.431 1.00 22.12 O -ATOM 1142 CB PHE A 169 27.489 26.496 53.565 1.00 19.58 C -ATOM 1143 CG PHE A 169 28.375 26.938 52.426 1.00 20.66 C -ATOM 1144 CD1 PHE A 169 28.558 26.108 51.334 1.00 25.13 C -ATOM 1145 CD2 PHE A 169 28.968 28.194 52.438 1.00 22.46 C -ATOM 1146 CE1 PHE A 169 29.348 26.520 50.256 1.00 26.21 C -ATOM 1147 CE2 PHE A 169 29.766 28.578 51.367 1.00 21.95 C -ATOM 1148 CZ PHE A 169 29.950 27.768 50.288 1.00 25.67 C -ATOM 1149 N PRO A 170 25.094 24.982 54.742 1.00 20.59 N -ATOM 1150 CA PRO A 170 24.534 24.487 56.033 1.00 23.75 C -ATOM 1151 C PRO A 170 25.538 24.908 57.098 1.00 23.33 C -ATOM 1152 O PRO A 170 26.764 24.848 56.847 1.00 25.18 O -ATOM 1153 CB PRO A 170 24.557 22.975 55.859 1.00 23.65 C -ATOM 1154 CG PRO A 170 24.513 22.742 54.397 1.00 23.07 C -ATOM 1155 CD PRO A 170 25.257 23.899 53.776 1.00 22.97 C -ATOM 1156 N ARG A 171 25.062 25.331 58.242 1.00 23.16 N -ATOM 1157 CA ARG A 171 25.951 25.828 59.309 1.00 23.53 C -ATOM 1158 C ARG A 171 26.936 24.797 59.797 1.00 22.79 C -ATOM 1159 O ARG A 171 28.152 25.071 59.875 1.00 23.80 O -ATOM 1160 CB ARG A 171 25.032 26.270 60.464 1.00 30.99 C -ATOM 1161 CG ARG A 171 25.574 27.466 61.242 1.00 38.14 C -ATOM 1162 CD ARG A 171 26.690 27.126 62.135 1.00 38.87 C -ATOM 1163 NE ARG A 171 26.753 27.733 63.417 1.00 36.13 N -ATOM 1164 CZ ARG A 171 25.878 28.276 64.223 1.00 40.58 C -ATOM 1165 NH1 ARG A 171 24.598 28.380 63.905 1.00 41.38 N -ATOM 1166 NH2 ARG A 171 26.307 28.732 65.418 1.00 33.75 N -ATOM 1167 N GLU A 172 26.541 23.560 60.029 1.00 21.70 N -ATOM 1168 CA GLU A 172 27.460 22.559 60.552 1.00 24.36 C -ATOM 1169 C GLU A 172 28.522 22.122 59.539 1.00 22.15 C -ATOM 1170 O GLU A 172 29.704 22.003 59.877 1.00 23.47 O -ATOM 1171 CB GLU A 172 26.687 21.355 61.074 1.00 28.91 C -ATOM 1172 CG GLU A 172 27.553 20.171 61.464 1.00 35.55 C -ATOM 1173 N LEU A 173 28.118 21.883 58.325 1.00 24.81 N -ATOM 1174 CA LEU A 173 29.059 21.471 57.255 1.00 21.95 C -ATOM 1175 C LEU A 173 30.121 22.525 57.065 1.00 23.11 C -ATOM 1176 O LEU A 173 31.316 22.254 56.959 1.00 21.04 O -ATOM 1177 CB LEU A 173 28.261 21.220 55.988 1.00 25.81 C -ATOM 1178 CG LEU A 173 29.105 20.729 54.780 1.00 24.28 C -ATOM 1179 CD1 LEU A 173 29.699 19.367 55.157 1.00 31.10 C -ATOM 1180 CD2 LEU A 173 28.241 20.642 53.549 1.00 28.42 C -ATOM 1181 N LEU A 174 29.667 23.814 56.970 1.00 20.49 N -ATOM 1182 CA LEU A 174 30.631 24.882 56.818 1.00 21.29 C -ATOM 1183 C LEU A 174 31.589 24.945 57.987 1.00 20.00 C -ATOM 1184 O LEU A 174 32.801 24.988 57.836 1.00 20.79 O -ATOM 1185 CB LEU A 174 29.955 26.248 56.616 1.00 22.50 C -ATOM 1186 CG LEU A 174 30.916 27.410 56.394 1.00 21.80 C -ATOM 1187 CD1 LEU A 174 31.722 27.230 55.098 1.00 24.98 C -ATOM 1188 CD2 LEU A 174 30.154 28.738 56.349 1.00 22.40 C -ATOM 1189 N HIS A 175 31.046 24.961 59.226 1.00 20.24 N -ATOM 1190 CA HIS A 175 31.925 25.006 60.383 1.00 22.57 C -ATOM 1191 C HIS A 175 32.922 23.844 60.408 1.00 20.53 C -ATOM 1192 O HIS A 175 34.127 24.045 60.610 1.00 21.18 O -ATOM 1193 CB HIS A 175 31.059 24.880 61.677 1.00 22.57 C -ATOM 1194 CG HIS A 175 31.925 24.714 62.894 1.00 26.83 C -ATOM 1195 ND1 HIS A 175 32.405 23.479 63.271 1.00 27.66 N -ATOM 1196 CD2 HIS A 175 32.443 25.623 63.758 1.00 29.25 C -ATOM 1197 CE1 HIS A 175 33.136 23.635 64.385 1.00 29.95 C -ATOM 1198 NE2 HIS A 175 33.187 24.911 64.688 1.00 28.33 N -ATOM 1199 N ASP A 176 32.435 22.653 60.164 1.00 22.38 N -ATOM 1200 CA ASP A 176 33.301 21.469 60.252 1.00 23.08 C -ATOM 1201 C ASP A 176 34.360 21.439 59.177 1.00 24.00 C -ATOM 1202 O ASP A 176 35.544 21.109 59.416 1.00 23.19 O -ATOM 1203 CB ASP A 176 32.454 20.208 60.271 1.00 26.04 C -ATOM 1204 CG ASP A 176 31.632 20.079 61.552 1.00 26.69 C -ATOM 1205 OD1 ASP A 176 30.858 19.108 61.633 1.00 27.42 O -ATOM 1206 OD2 ASP A 176 31.714 20.913 62.460 1.00 23.82 O -ATOM 1207 N CYS A 177 33.932 21.754 57.951 1.00 20.62 N -ATOM 1208 CA CYS A 177 34.918 21.756 56.879 1.00 22.07 C -ATOM 1209 C CYS A 177 35.959 22.843 57.027 1.00 21.71 C -ATOM 1210 O CYS A 177 37.164 22.658 56.750 1.00 24.28 O -ATOM 1211 CB CYS A 177 34.249 21.909 55.542 1.00 23.59 C -ATOM 1212 SG ACYS A 177 35.271 21.768 54.155 0.65 19.45 S -ATOM 1213 SG BCYS A 177 33.285 20.719 54.745 0.35 19.78 S -ATOM 1214 N LEU A 178 35.497 24.111 57.226 1.00 21.58 N -ATOM 1215 CA LEU A 178 36.422 25.205 57.374 1.00 22.45 C -ATOM 1216 C LEU A 178 37.429 24.889 58.492 1.00 21.61 C -ATOM 1217 O LEU A 178 38.612 25.203 58.372 1.00 22.26 O -ATOM 1218 CB LEU A 178 35.703 26.508 57.778 1.00 22.48 C -ATOM 1219 CG LEU A 178 35.757 27.698 56.871 1.00 31.79 C -ATOM 1220 CD1 LEU A 178 35.243 28.944 57.597 1.00 30.62 C -ATOM 1221 CD2 LEU A 178 37.150 27.952 56.298 1.00 34.02 C -ATOM 1222 N THR A 179 36.910 24.401 59.628 1.00 24.00 N -ATOM 1223 CA THR A 179 37.822 24.076 60.733 1.00 21.00 C -ATOM 1224 C THR A 179 38.876 23.072 60.270 1.00 22.60 C -ATOM 1225 O THR A 179 40.067 23.265 60.495 1.00 23.31 O -ATOM 1226 CB THR A 179 37.023 23.450 61.902 1.00 25.66 C -ATOM 1227 OG1 THR A 179 36.085 24.447 62.358 1.00 24.54 O -ATOM 1228 CG2 THR A 179 37.938 23.091 63.066 1.00 25.36 C -ATOM 1229 N ARG A 180 38.416 21.964 59.669 1.00 21.77 N -ATOM 1230 CA ARG A 180 39.394 20.958 59.227 1.00 21.80 C -ATOM 1231 C ARG A 180 40.380 21.476 58.212 1.00 21.51 C -ATOM 1232 O ARG A 180 41.603 21.307 58.361 1.00 23.05 O -ATOM 1233 CB ARG A 180 38.654 19.720 58.664 1.00 22.05 C -ATOM 1234 CG ARG A 180 39.686 18.672 58.157 1.00 20.97 C -ATOM 1235 CD ARG A 180 40.531 18.182 59.351 1.00 19.17 C -ATOM 1236 NE ARG A 180 39.714 17.573 60.380 1.00 22.98 N -ATOM 1237 CZ ARG A 180 39.210 16.347 60.414 1.00 24.23 C -ATOM 1238 NH1 ARG A 180 38.459 16.009 61.482 1.00 19.45 N -ATOM 1239 NH2 ARG A 180 39.444 15.438 59.482 1.00 23.54 N -ATOM 1240 N ALA A 181 39.928 22.223 57.219 1.00 21.33 N -ATOM 1241 CA ALA A 181 40.825 22.767 56.173 1.00 24.12 C -ATOM 1242 C ALA A 181 41.881 23.661 56.779 1.00 27.02 C -ATOM 1243 O ALA A 181 43.067 23.614 56.457 1.00 27.24 O -ATOM 1244 CB ALA A 181 39.998 23.518 55.144 1.00 23.70 C -ATOM 1245 N LEU A 182 41.424 24.563 57.681 1.00 25.03 N -ATOM 1246 CA LEU A 182 42.374 25.463 58.315 1.00 28.78 C -ATOM 1247 C LEU A 182 43.386 24.705 59.166 1.00 28.87 C -ATOM 1248 O LEU A 182 44.574 24.982 59.066 1.00 30.41 O -ATOM 1249 CB LEU A 182 41.636 26.477 59.172 1.00 29.47 C -ATOM 1250 CG LEU A 182 40.924 27.613 58.431 1.00 35.14 C -ATOM 1251 CD1 LEU A 182 40.307 28.526 59.499 1.00 35.04 C -ATOM 1252 CD2 LEU A 182 41.884 28.404 57.560 1.00 37.53 C -ATOM 1253 N ASN A 183 42.938 23.718 59.929 1.00 30.09 N -ATOM 1254 CA ASN A 183 43.848 22.930 60.776 1.00 31.16 C -ATOM 1255 C ASN A 183 44.876 22.192 59.941 1.00 31.44 C -ATOM 1256 O ASN A 183 46.053 22.090 60.301 1.00 34.27 O -ATOM 1257 CB ASN A 183 43.038 21.904 61.591 1.00 29.08 C -ATOM 1258 CG ASN A 183 42.342 22.565 62.772 1.00 32.16 C -ATOM 1259 OD1 ASN A 183 42.601 23.735 63.062 1.00 38.78 O -ATOM 1260 ND2 ASN A 183 41.457 21.850 63.435 1.00 30.82 N -ATOM 1261 N GLU A 184 44.458 21.645 58.804 1.00 30.82 N -ATOM 1262 CA GLU A 184 45.321 20.935 57.901 1.00 28.65 C -ATOM 1263 C GLU A 184 46.131 21.869 57.007 1.00 29.60 C -ATOM 1264 O GLU A 184 46.898 21.414 56.147 1.00 29.44 O -ATOM 1265 CB GLU A 184 44.491 19.976 57.009 1.00 26.60 C -ATOM 1266 CG GLU A 184 43.945 18.792 57.828 1.00 29.52 C -ATOM 1267 CD GLU A 184 45.111 17.899 58.260 1.00 31.11 C -ATOM 1268 OE1 GLU A 184 45.696 17.258 57.348 1.00 28.64 O -ATOM 1269 OE2 GLU A 184 45.390 17.876 59.461 1.00 33.41 O -ATOM 1270 N GLY A 185 45.969 23.168 57.143 1.00 31.28 N -ATOM 1271 CA GLY A 185 46.732 24.141 56.367 1.00 31.37 C -ATOM 1272 C GLY A 185 46.396 24.236 54.933 1.00 32.15 C -ATOM 1273 O GLY A 185 47.219 24.600 54.033 1.00 33.13 O -ATOM 1274 N ALA A 186 45.156 23.929 54.563 1.00 31.34 N -ATOM 1275 CA ALA A 186 44.731 24.033 53.184 1.00 30.51 C -ATOM 1276 C ALA A 186 44.811 25.506 52.732 1.00 32.22 C -ATOM 1277 O ALA A 186 44.764 26.382 53.584 1.00 30.42 O -ATOM 1278 CB ALA A 186 43.273 23.591 53.078 1.00 32.30 C -ATOM 1279 N THR A 187 44.925 25.697 51.435 1.00 31.51 N -ATOM 1280 CA THR A 187 44.974 27.026 50.800 1.00 34.33 C -ATOM 1281 C THR A 187 43.536 27.445 50.492 1.00 32.67 C -ATOM 1282 O THR A 187 42.911 27.005 49.521 1.00 37.21 O -ATOM 1283 CB THR A 187 45.820 26.997 49.519 1.00 38.02 C -ATOM 1284 OG1 THR A 187 47.150 26.527 49.824 1.00 42.99 O -ATOM 1285 CG2 THR A 187 45.932 28.367 48.876 1.00 42.20 C -ATOM 1286 N ILE A 188 42.977 28.279 51.344 1.00 33.53 N -ATOM 1287 CA ILE A 188 41.571 28.679 51.235 1.00 32.58 C -ATOM 1288 C ILE A 188 41.407 30.062 50.616 1.00 34.40 C -ATOM 1289 O ILE A 188 41.997 31.045 51.070 1.00 35.27 O -ATOM 1290 CB ILE A 188 40.929 28.677 52.629 1.00 34.29 C -ATOM 1291 CG1 ILE A 188 41.077 27.294 53.292 1.00 36.32 C -ATOM 1292 CG2 ILE A 188 39.455 29.082 52.610 1.00 33.72 C -ATOM 1293 CD1 ILE A 188 40.532 27.248 54.702 1.00 36.32 C -ATOM 1294 N THR A 189 40.575 30.137 49.596 1.00 29.40 N -ATOM 1295 CA THR A 189 40.271 31.422 48.969 1.00 29.42 C -ATOM 1296 C THR A 189 38.869 31.823 49.436 1.00 27.52 C -ATOM 1297 O THR A 189 38.789 32.539 50.430 1.00 29.08 O -ATOM 1298 CB THR A 189 40.366 31.322 47.454 1.00 30.10 C -ATOM 1299 OG1 THR A 189 39.748 30.103 47.028 1.00 29.98 O -ATOM 1300 CG2 THR A 189 41.849 31.255 47.034 1.00 33.90 C -ATOM 1301 N ASP A 190 37.825 31.226 48.867 1.00 24.69 N -ATOM 1302 CA ASP A 190 36.459 31.500 49.320 1.00 22.26 C -ATOM 1303 C ASP A 190 35.948 30.310 50.141 1.00 21.98 C -ATOM 1304 O ASP A 190 36.665 29.324 50.298 1.00 22.28 O -ATOM 1305 CB ASP A 190 35.503 31.804 48.177 1.00 20.86 C -ATOM 1306 CG ASP A 190 35.448 30.748 47.093 1.00 22.29 C -ATOM 1307 OD1 ASP A 190 34.794 30.995 46.065 1.00 21.88 O -ATOM 1308 OD2 ASP A 190 36.010 29.633 47.250 1.00 23.85 O -ATOM 1309 N GLU A 191 34.714 30.441 50.639 1.00 21.14 N -ATOM 1310 CA GLU A 191 34.163 29.366 51.476 1.00 20.53 C -ATOM 1311 C GLU A 191 34.009 28.134 50.627 1.00 18.76 C -ATOM 1312 O GLU A 191 34.252 27.014 51.105 1.00 18.98 O -ATOM 1313 CB GLU A 191 32.880 29.775 52.168 1.00 21.05 C -ATOM 1314 CG GLU A 191 33.061 30.819 53.270 1.00 24.06 C -ATOM 1315 CD GLU A 191 33.607 32.128 52.705 1.00 28.09 C -ATOM 1316 OE1 GLU A 191 33.145 32.582 51.634 1.00 26.56 O -ATOM 1317 OE2 GLU A 191 34.541 32.672 53.298 1.00 29.87 O -ATOM 1318 N ALA A 192 33.547 28.296 49.372 1.00 18.33 N -ATOM 1319 CA ALA A 192 33.441 27.104 48.508 1.00 17.78 C -ATOM 1320 C ALA A 192 34.732 26.321 48.464 1.00 20.04 C -ATOM 1321 O ALA A 192 34.717 25.062 48.398 1.00 19.96 O -ATOM 1322 CB ALA A 192 33.074 27.538 47.069 1.00 16.12 C -ATOM 1323 N SER A 193 35.878 27.001 48.400 1.00 19.57 N -ATOM 1324 CA SER A 193 37.179 26.274 48.303 1.00 21.38 C -ATOM 1325 C SER A 193 37.420 25.415 49.526 1.00 21.37 C -ATOM 1326 O SER A 193 38.137 24.372 49.419 1.00 20.07 O -ATOM 1327 CB SER A 193 38.312 27.268 48.064 1.00 20.87 C -ATOM 1328 OG SER A 193 38.672 27.972 49.246 1.00 23.37 O -ATOM 1329 N ALA A 194 36.885 25.748 50.693 1.00 21.46 N -ATOM 1330 CA ALA A 194 37.045 24.872 51.859 1.00 21.52 C -ATOM 1331 C ALA A 194 36.203 23.617 51.648 1.00 21.38 C -ATOM 1332 O ALA A 194 36.676 22.506 51.876 1.00 21.24 O -ATOM 1333 CB ALA A 194 36.629 25.553 53.169 1.00 20.74 C -ATOM 1334 N LEU A 195 34.964 23.780 51.140 1.00 18.27 N -ATOM 1335 CA LEU A 195 34.121 22.626 50.878 1.00 20.28 C -ATOM 1336 C LEU A 195 34.796 21.727 49.833 1.00 20.76 C -ATOM 1337 O LEU A 195 34.753 20.490 49.904 1.00 20.21 O -ATOM 1338 CB LEU A 195 32.701 23.038 50.455 1.00 19.52 C -ATOM 1339 CG LEU A 195 31.729 23.148 51.682 1.00 22.64 C -ATOM 1340 CD1 LEU A 195 32.171 24.363 52.490 1.00 26.40 C -ATOM 1341 CD2 LEU A 195 30.302 23.265 51.200 1.00 31.92 C -ATOM 1342 N GLU A 196 35.442 22.340 48.853 1.00 18.83 N -ATOM 1343 CA GLU A 196 36.157 21.596 47.800 1.00 18.38 C -ATOM 1344 C GLU A 196 37.276 20.754 48.394 1.00 20.93 C -ATOM 1345 O GLU A 196 37.519 19.568 48.041 1.00 21.25 O -ATOM 1346 CB GLU A 196 36.753 22.624 46.816 1.00 19.89 C -ATOM 1347 CG GLU A 196 35.635 23.386 46.089 1.00 27.45 C -ATOM 1348 CD GLU A 196 36.205 24.577 45.295 1.00 28.88 C -ATOM 1349 OE1 GLU A 196 35.423 25.539 45.168 1.00 27.02 O -ATOM 1350 OE2 GLU A 196 37.397 24.492 44.911 1.00 31.03 O -ATOM 1351 N TYR A 197 38.020 21.370 49.295 1.00 17.73 N -ATOM 1352 CA TYR A 197 39.129 20.668 49.961 1.00 21.34 C -ATOM 1353 C TYR A 197 38.641 19.435 50.704 1.00 20.98 C -ATOM 1354 O TYR A 197 39.280 18.385 50.669 1.00 19.77 O -ATOM 1355 CB TYR A 197 39.745 21.650 50.991 1.00 24.02 C -ATOM 1356 CG TYR A 197 40.903 20.984 51.712 1.00 27.12 C -ATOM 1357 CD1 TYR A 197 42.111 20.959 51.015 1.00 30.57 C -ATOM 1358 CD2 TYR A 197 40.798 20.354 52.931 1.00 30.09 C -ATOM 1359 CE1 TYR A 197 43.218 20.381 51.565 1.00 31.51 C -ATOM 1360 CE2 TYR A 197 41.933 19.735 53.499 1.00 32.03 C -ATOM 1361 CZ TYR A 197 43.108 19.756 52.791 1.00 32.07 C -ATOM 1362 OH TYR A 197 44.273 19.184 53.273 1.00 36.79 O -ATOM 1363 N CYS A 198 37.449 19.540 51.319 1.00 18.64 N -ATOM 1364 CA CYS A 198 36.871 18.447 52.073 1.00 21.76 C -ATOM 1365 C CYS A 198 36.179 17.413 51.199 1.00 20.82 C -ATOM 1366 O CYS A 198 35.827 16.350 51.738 1.00 23.70 O -ATOM 1367 CB CYS A 198 35.867 18.978 53.123 1.00 22.65 C -ATOM 1368 SG CYS A 198 36.553 20.121 54.336 1.00 21.10 S -ATOM 1369 N GLY A 199 36.050 17.667 49.913 1.00 20.78 N -ATOM 1370 CA GLY A 199 35.478 16.721 48.981 1.00 19.84 C -ATOM 1371 C GLY A 199 34.043 16.941 48.601 1.00 23.77 C -ATOM 1372 O GLY A 199 33.367 16.008 48.121 1.00 24.16 O -ATOM 1373 N PHE A 200 33.488 18.117 48.907 1.00 21.86 N -ATOM 1374 CA PHE A 200 32.140 18.461 48.606 1.00 22.79 C -ATOM 1375 C PHE A 200 32.102 19.361 47.361 1.00 23.97 C -ATOM 1376 O PHE A 200 33.108 19.837 46.854 1.00 23.52 O -ATOM 1377 CB PHE A 200 31.402 19.116 49.780 1.00 20.68 C -ATOM 1378 CG PHE A 200 31.425 18.233 51.015 1.00 25.47 C -ATOM 1379 CD1 PHE A 200 32.394 18.390 51.979 1.00 29.31 C -ATOM 1380 CD2 PHE A 200 30.478 17.244 51.178 1.00 30.34 C -ATOM 1381 CE1 PHE A 200 32.414 17.579 53.114 1.00 27.84 C -ATOM 1382 CE2 PHE A 200 30.491 16.419 52.301 1.00 31.32 C -ATOM 1383 CZ PHE A 200 31.474 16.573 53.242 1.00 27.88 C -ATOM 1384 N HIS A 201 30.906 19.395 46.776 1.00 19.96 N -ATOM 1385 CA HIS A 201 30.679 20.124 45.534 1.00 23.49 C -ATOM 1386 C HIS A 201 29.477 21.049 45.636 1.00 22.39 C -ATOM 1387 O HIS A 201 28.370 20.688 45.256 1.00 22.84 O -ATOM 1388 CB HIS A 201 30.426 19.105 44.397 1.00 25.56 C -ATOM 1389 CG HIS A 201 31.567 18.141 44.307 1.00 29.07 C -ATOM 1390 ND1 HIS A 201 32.713 18.394 43.628 1.00 30.20 N -ATOM 1391 CD2 HIS A 201 31.716 16.908 44.896 1.00 33.92 C -ATOM 1392 CE1 HIS A 201 33.546 17.373 43.774 1.00 31.67 C -ATOM 1393 NE2 HIS A 201 32.952 16.465 44.531 1.00 35.48 N -ATOM 1394 N PRO A 202 29.749 22.283 46.032 1.00 22.81 N -ATOM 1395 CA PRO A 202 28.711 23.295 46.151 1.00 22.90 C -ATOM 1396 C PRO A 202 28.103 23.591 44.774 1.00 22.40 C -ATOM 1397 O PRO A 202 28.743 23.477 43.719 1.00 21.08 O -ATOM 1398 CB PRO A 202 29.435 24.476 46.746 1.00 21.87 C -ATOM 1399 CG PRO A 202 30.729 23.970 47.320 1.00 21.01 C -ATOM 1400 CD PRO A 202 31.088 22.793 46.418 1.00 21.04 C -ATOM 1401 N GLN A 203 26.818 23.915 44.785 1.00 22.00 N -ATOM 1402 CA GLN A 203 26.067 24.201 43.542 1.00 22.26 C -ATOM 1403 C GLN A 203 26.447 25.587 43.031 1.00 23.20 C -ATOM 1404 O GLN A 203 26.746 26.498 43.826 1.00 22.47 O -ATOM 1405 CB GLN A 203 24.570 24.211 43.896 1.00 27.04 C -ATOM 1406 CG GLN A 203 23.937 22.858 44.110 1.00 33.50 C -ATOM 1407 N LEU A 204 26.390 25.734 41.720 1.00 20.94 N -ATOM 1408 CA LEU A 204 26.614 27.025 41.063 1.00 20.76 C -ATOM 1409 C LEU A 204 25.234 27.612 40.681 1.00 24.55 C -ATOM 1410 O LEU A 204 24.471 26.950 39.952 1.00 23.81 O -ATOM 1411 CB LEU A 204 27.453 26.776 39.809 1.00 21.06 C -ATOM 1412 CG LEU A 204 28.937 26.432 40.073 1.00 22.82 C -ATOM 1413 CD1 LEU A 204 29.556 25.700 38.886 1.00 22.16 C -ATOM 1414 CD2 LEU A 204 29.721 27.698 40.377 1.00 26.20 C -ATOM 1415 N VAL A 205 24.836 28.706 41.312 1.00 21.05 N -ATOM 1416 CA VAL A 205 23.543 29.368 40.992 1.00 23.31 C -ATOM 1417 C VAL A 205 23.890 30.605 40.167 1.00 23.36 C -ATOM 1418 O VAL A 205 24.588 31.498 40.634 1.00 23.80 O -ATOM 1419 CB VAL A 205 22.852 29.774 42.319 1.00 23.74 C -ATOM 1420 CG1 VAL A 205 21.587 30.577 42.105 1.00 25.24 C -ATOM 1421 CG2 VAL A 205 22.519 28.512 43.136 1.00 22.87 C -ATOM 1422 N GLU A 206 23.399 30.703 38.909 1.00 25.33 N -ATOM 1423 CA GLU A 206 23.753 31.853 38.107 1.00 25.43 C -ATOM 1424 C GLU A 206 23.173 33.142 38.654 1.00 27.23 C -ATOM 1425 O GLU A 206 21.988 33.194 39.030 1.00 28.70 O -ATOM 1426 CB GLU A 206 23.394 31.666 36.609 1.00 26.10 C -ATOM 1427 CG GLU A 206 23.791 32.914 35.796 1.00 26.05 C -ATOM 1428 CD GLU A 206 23.657 32.701 34.287 1.00 32.15 C -ATOM 1429 OE1 GLU A 206 24.071 33.617 33.543 1.00 27.71 O -ATOM 1430 OE2 GLU A 206 23.226 31.618 33.889 1.00 31.94 O -ATOM 1431 N GLY A 207 24.027 34.139 38.794 1.00 26.48 N -ATOM 1432 CA GLY A 207 23.581 35.463 39.261 1.00 29.18 C -ATOM 1433 C GLY A 207 24.032 36.509 38.253 1.00 30.42 C -ATOM 1434 O GLY A 207 24.907 36.249 37.414 1.00 30.04 O -ATOM 1435 N ARG A 208 23.504 37.732 38.338 1.00 29.69 N -ATOM 1436 CA ARG A 208 23.912 38.770 37.411 1.00 28.95 C -ATOM 1437 C ARG A 208 25.373 39.153 37.563 1.00 30.55 C -ATOM 1438 O ARG A 208 25.941 39.158 38.648 1.00 29.74 O -ATOM 1439 CB ARG A 208 23.034 40.024 37.582 1.00 35.51 C -ATOM 1440 CG ARG A 208 21.613 39.830 37.036 1.00 41.33 C -ATOM 1441 CD ARG A 208 20.889 41.191 36.977 1.00 44.71 C -ATOM 1442 NE ARG A 208 19.456 41.003 36.738 1.00 47.27 N -ATOM 1443 CZ ARG A 208 18.630 40.434 37.610 1.00 49.34 C -ATOM 1444 NH1 ARG A 208 17.336 40.275 37.346 1.00 48.46 N -ATOM 1445 NH2 ARG A 208 19.104 40.027 38.787 1.00 44.15 N -ATOM 1446 N ALA A 209 26.008 39.550 36.448 1.00 31.07 N -ATOM 1447 CA ALA A 209 27.415 39.929 36.441 1.00 30.98 C -ATOM 1448 C ALA A 209 27.685 41.335 36.903 1.00 29.95 C -ATOM 1449 O ALA A 209 28.835 41.776 37.074 1.00 30.58 O -ATOM 1450 CB ALA A 209 27.989 39.700 35.022 1.00 37.89 C -ATOM 1451 N ASP A 210 26.659 42.086 37.291 1.00 29.39 N -ATOM 1452 CA ASP A 210 26.888 43.426 37.849 1.00 29.72 C -ATOM 1453 C ASP A 210 27.194 43.292 39.325 1.00 28.89 C -ATOM 1454 O ASP A 210 27.346 44.284 40.055 1.00 26.90 O -ATOM 1455 CB ASP A 210 25.687 44.327 37.570 1.00 34.53 C -ATOM 1456 CG ASP A 210 24.389 43.888 38.167 1.00 37.97 C -ATOM 1457 OD1 ASP A 210 23.373 44.655 38.136 1.00 39.16 O -ATOM 1458 OD2 ASP A 210 24.294 42.772 38.729 1.00 32.11 O -ATOM 1459 N ASN A 211 27.290 42.046 39.810 1.00 26.26 N -ATOM 1460 CA ASN A 211 27.654 41.806 41.233 1.00 25.23 C -ATOM 1461 C ASN A 211 29.172 41.898 41.285 1.00 26.61 C -ATOM 1462 O ASN A 211 29.909 40.931 41.163 1.00 28.27 O -ATOM 1463 CB ASN A 211 27.195 40.411 41.641 1.00 23.70 C -ATOM 1464 CG ASN A 211 27.550 40.041 43.066 1.00 26.94 C -ATOM 1465 OD1 ASN A 211 28.171 40.803 43.815 1.00 27.83 O -ATOM 1466 ND2 ASN A 211 27.136 38.834 43.502 1.00 20.60 N -ATOM 1467 N ILE A 212 29.698 43.145 41.240 1.00 29.42 N -ATOM 1468 CA ILE A 212 31.122 43.325 41.216 1.00 27.79 C -ATOM 1469 C ILE A 212 31.742 43.512 42.580 1.00 28.11 C -ATOM 1470 O ILE A 212 31.087 43.976 43.513 1.00 30.09 O -ATOM 1471 CB ILE A 212 31.521 44.521 40.319 1.00 35.05 C -ATOM 1472 CG1 ILE A 212 30.719 45.763 40.712 1.00 36.49 C -ATOM 1473 CG2 ILE A 212 31.287 44.215 38.837 1.00 31.02 C -ATOM 1474 CD1 ILE A 212 31.178 46.477 41.930 1.00 44.11 C -ATOM 1475 N LYS A 213 33.045 43.255 42.666 1.00 28.06 N -ATOM 1476 CA LYS A 213 33.803 43.448 43.885 1.00 29.10 C -ATOM 1477 C LYS A 213 34.659 44.716 43.731 1.00 33.09 C -ATOM 1478 O LYS A 213 35.475 44.815 42.807 1.00 31.11 O -ATOM 1479 CB LYS A 213 34.724 42.279 44.216 1.00 33.68 C -ATOM 1480 CG LYS A 213 35.359 42.401 45.617 1.00 33.66 C -ATOM 1481 CD LYS A 213 36.089 41.090 45.944 1.00 37.78 C -ATOM 1482 CE LYS A 213 37.142 41.348 47.022 1.00 40.26 C -ATOM 1483 NZ LYS A 213 37.769 40.076 47.478 1.00 40.26 N -ATOM 1484 N VAL A 214 34.394 45.685 44.591 1.00 31.86 N -ATOM 1485 CA VAL A 214 35.134 46.950 44.511 1.00 33.03 C -ATOM 1486 C VAL A 214 36.574 46.756 44.947 1.00 35.65 C -ATOM 1487 O VAL A 214 36.949 46.561 46.097 1.00 33.81 O -ATOM 1488 CB VAL A 214 34.418 48.078 45.216 1.00 30.84 C -ATOM 1489 CG1 VAL A 214 35.200 49.384 45.146 1.00 32.32 C -ATOM 1490 CG2 VAL A 214 33.013 48.253 44.673 1.00 34.54 C -ATOM 1491 N THR A 215 37.407 46.701 43.910 1.00 38.26 N -ATOM 1492 CA THR A 215 38.814 46.492 43.899 1.00 43.54 C -ATOM 1493 C THR A 215 39.197 45.082 44.356 1.00 47.52 C -ATOM 1494 O THR A 215 38.466 44.118 44.011 1.00 47.34 O -ATOM 1495 CB THR A 215 39.628 47.571 44.614 1.00 47.40 C -ATOM 1496 OG1 THR A 215 39.408 48.831 43.915 1.00 46.09 O -ATOM 1497 CG2 THR A 215 41.127 47.291 44.574 1.00 44.25 C -ATOM 1498 N GLU A 218 38.606 52.623 40.139 1.00 52.31 N -ATOM 1499 CA GLU A 218 37.763 52.665 38.947 1.00 53.13 C -ATOM 1500 C GLU A 218 36.437 51.955 39.155 1.00 53.33 C -ATOM 1501 O GLU A 218 35.401 52.316 38.595 1.00 54.96 O -ATOM 1502 CB GLU A 218 38.513 51.992 37.782 1.00 57.02 C -ATOM 1503 N ASP A 219 36.465 50.942 40.020 1.00 51.65 N -ATOM 1504 CA ASP A 219 35.327 50.121 40.367 1.00 47.12 C -ATOM 1505 C ASP A 219 34.165 50.913 40.946 1.00 43.96 C -ATOM 1506 O ASP A 219 32.993 50.538 40.809 1.00 41.69 O -ATOM 1507 CB ASP A 219 35.770 49.054 41.386 1.00 47.11 C -ATOM 1508 CG ASP A 219 36.572 47.930 40.779 1.00 49.73 C -ATOM 1509 OD1 ASP A 219 36.255 47.509 39.646 1.00 50.86 O -ATOM 1510 OD2 ASP A 219 37.517 47.431 41.433 1.00 49.72 O -ATOM 1511 N LEU A 220 34.503 51.998 41.636 1.00 42.28 N -ATOM 1512 CA LEU A 220 33.523 52.841 42.290 1.00 40.40 C -ATOM 1513 C LEU A 220 32.505 53.372 41.315 1.00 38.35 C -ATOM 1514 O LEU A 220 31.293 53.218 41.479 1.00 36.77 O -ATOM 1515 CB LEU A 220 34.241 53.981 43.045 1.00 42.80 C -ATOM 1516 CG LEU A 220 33.596 54.381 44.373 1.00 46.55 C -ATOM 1517 CD1 LEU A 220 33.476 53.172 45.304 1.00 44.77 C -ATOM 1518 CD2 LEU A 220 34.408 55.485 45.046 1.00 47.81 C -ATOM 1519 N ALA A 221 33.031 54.002 40.246 1.00 36.63 N -ATOM 1520 CA ALA A 221 32.159 54.563 39.231 1.00 37.42 C -ATOM 1521 C ALA A 221 31.257 53.494 38.630 1.00 34.11 C -ATOM 1522 O ALA A 221 30.052 53.734 38.491 1.00 35.97 O -ATOM 1523 CB ALA A 221 32.980 55.289 38.160 1.00 33.74 C -ATOM 1524 N LEU A 222 31.784 52.314 38.335 1.00 35.04 N -ATOM 1525 CA LEU A 222 30.940 51.254 37.759 1.00 35.05 C -ATOM 1526 C LEU A 222 29.901 50.757 38.753 1.00 32.03 C -ATOM 1527 O LEU A 222 28.718 50.580 38.454 1.00 31.31 O -ATOM 1528 CB LEU A 222 31.802 50.104 37.237 1.00 37.29 C -ATOM 1529 CG LEU A 222 31.029 48.879 36.734 1.00 39.10 C -ATOM 1530 CD1 LEU A 222 29.971 49.273 35.718 1.00 38.16 C -ATOM 1531 CD2 LEU A 222 32.014 47.865 36.129 1.00 41.06 C -ATOM 1532 N ALA A 223 30.338 50.547 39.997 1.00 33.56 N -ATOM 1533 CA ALA A 223 29.388 50.133 41.036 1.00 32.69 C -ATOM 1534 C ALA A 223 28.292 51.179 41.184 1.00 32.50 C -ATOM 1535 O ALA A 223 27.121 50.840 41.327 1.00 31.23 O -ATOM 1536 CB ALA A 223 30.128 49.924 42.351 1.00 30.49 C -ATOM 1537 N GLU A 224 28.649 52.478 41.114 1.00 34.07 N -ATOM 1538 CA GLU A 224 27.580 53.485 41.227 1.00 36.33 C -ATOM 1539 C GLU A 224 26.591 53.374 40.086 1.00 37.67 C -ATOM 1540 O GLU A 224 25.383 53.492 40.299 1.00 38.29 O -ATOM 1541 CB GLU A 224 28.152 54.899 41.273 1.00 40.88 C -ATOM 1542 CG GLU A 224 27.090 55.943 41.637 1.00 44.92 C -ATOM 1543 CD GLU A 224 27.718 57.310 41.834 1.00 53.70 C -ATOM 1544 OE1 GLU A 224 28.538 57.681 40.959 1.00 58.18 O -ATOM 1545 OE2 GLU A 224 27.395 57.982 42.830 1.00 55.96 O -ATOM 1546 N PHE A 225 27.103 53.191 38.850 1.00 37.41 N -ATOM 1547 CA PHE A 225 26.191 53.055 37.697 1.00 35.78 C -ATOM 1548 C PHE A 225 25.226 51.913 37.953 1.00 38.10 C -ATOM 1549 O PHE A 225 24.002 52.002 37.857 1.00 36.99 O -ATOM 1550 CB PHE A 225 27.026 52.819 36.424 1.00 37.20 C -ATOM 1551 CG PHE A 225 26.258 52.274 35.251 1.00 37.63 C -ATOM 1552 CD1 PHE A 225 25.377 53.086 34.551 1.00 36.60 C -ATOM 1553 CD2 PHE A 225 26.417 50.965 34.831 1.00 32.47 C -ATOM 1554 CE1 PHE A 225 24.665 52.607 33.469 1.00 35.55 C -ATOM 1555 CE2 PHE A 225 25.707 50.480 33.749 1.00 39.09 C -ATOM 1556 CZ PHE A 225 24.817 51.294 33.067 1.00 37.69 C -ATOM 1557 N TYR A 226 25.781 50.761 38.368 1.00 37.98 N -ATOM 1558 CA TYR A 226 24.952 49.597 38.648 1.00 40.52 C -ATOM 1559 C TYR A 226 23.929 49.856 39.755 1.00 41.15 C -ATOM 1560 O TYR A 226 22.838 49.288 39.686 1.00 44.22 O -ATOM 1561 CB TYR A 226 25.818 48.423 39.077 1.00 38.46 C -ATOM 1562 CG TYR A 226 26.574 47.751 37.963 1.00 36.65 C -ATOM 1563 CD1 TYR A 226 27.810 47.176 38.196 1.00 35.46 C -ATOM 1564 CD2 TYR A 226 26.011 47.671 36.681 1.00 36.41 C -ATOM 1565 CE1 TYR A 226 28.491 46.532 37.174 1.00 34.83 C -ATOM 1566 CE2 TYR A 226 26.694 47.046 35.662 1.00 34.50 C -ATOM 1567 CZ TYR A 226 27.917 46.481 35.917 1.00 33.10 C -ATOM 1568 OH TYR A 226 28.594 45.838 34.917 1.00 38.68 O -ATOM 1569 N LEU A 227 24.322 50.615 40.750 1.00 43.45 N -ATOM 1570 CA LEU A 227 23.432 50.962 41.856 1.00 47.03 C -ATOM 1571 C LEU A 227 22.465 52.082 41.435 1.00 50.11 C -ATOM 1572 O LEU A 227 21.246 51.863 41.473 1.00 52.97 O -ATOM 1573 CB LEU A 227 24.248 51.447 43.057 1.00 43.37 C -ATOM 1574 CG LEU A 227 24.934 50.345 43.867 1.00 41.56 C -ATOM 1575 CD1 LEU A 227 25.877 50.932 44.904 1.00 45.74 C -ATOM 1576 CD2 LEU A 227 23.880 49.452 44.521 1.00 41.44 C -TER 1577 LEU A 227 -ATOM 1578 N LEU B 6 53.266 49.350 5.788 1.00 34.65 N -ATOM 1579 CA LEU B 6 52.740 49.545 7.151 1.00 36.47 C -ATOM 1580 C LEU B 6 51.220 49.391 7.169 1.00 35.22 C -ATOM 1581 O LEU B 6 50.587 49.422 8.237 1.00 31.61 O -ATOM 1582 CB LEU B 6 53.106 50.946 7.609 1.00 43.10 C -ATOM 1583 CG LEU B 6 53.816 51.131 8.932 1.00 46.53 C -ATOM 1584 CD1 LEU B 6 54.917 50.105 9.152 1.00 45.98 C -ATOM 1585 CD2 LEU B 6 54.399 52.540 9.007 1.00 48.39 C -ATOM 1586 N ASP B 7 50.636 49.300 5.985 1.00 32.75 N -ATOM 1587 CA ASP B 7 49.203 49.161 5.840 1.00 33.58 C -ATOM 1588 C ASP B 7 48.706 47.897 6.576 1.00 29.96 C -ATOM 1589 O ASP B 7 49.301 46.850 6.432 1.00 32.90 O -ATOM 1590 CB ASP B 7 48.735 48.989 4.403 1.00 35.47 C -ATOM 1591 CG ASP B 7 48.942 50.180 3.502 1.00 41.16 C -ATOM 1592 OD1 ASP B 7 49.412 51.219 3.983 1.00 39.68 O -ATOM 1593 OD2 ASP B 7 48.613 50.032 2.295 1.00 41.21 O -ATOM 1594 N VAL B 8 47.574 48.070 7.217 1.00 26.70 N -ATOM 1595 CA VAL B 8 46.904 46.964 7.929 1.00 23.54 C -ATOM 1596 C VAL B 8 45.450 46.967 7.442 1.00 21.15 C -ATOM 1597 O VAL B 8 44.889 47.990 7.089 1.00 22.45 O -ATOM 1598 CB VAL B 8 46.928 47.210 9.456 1.00 24.17 C -ATOM 1599 CG1 VAL B 8 45.927 46.326 10.199 1.00 26.06 C -ATOM 1600 CG2 VAL B 8 48.346 46.955 9.992 1.00 29.09 C -ATOM 1601 N CYS B 9 44.919 45.757 7.266 1.00 20.85 N -ATOM 1602 CA CYS B 9 43.519 45.622 6.885 1.00 19.98 C -ATOM 1603 C CYS B 9 42.842 44.895 8.082 1.00 20.20 C -ATOM 1604 O CYS B 9 43.473 43.967 8.580 1.00 20.94 O -ATOM 1605 CB CYS B 9 43.379 44.690 5.677 1.00 21.42 C -ATOM 1606 SG CYS B 9 41.676 44.576 5.078 1.00 23.54 S -ATOM 1607 N ALA B 10 41.674 45.359 8.453 1.00 19.39 N -ATOM 1608 CA ALA B 10 40.958 44.662 9.547 1.00 17.39 C -ATOM 1609 C ALA B 10 39.814 43.854 8.871 1.00 17.39 C -ATOM 1610 O ALA B 10 39.320 44.201 7.820 1.00 18.81 O -ATOM 1611 CB ALA B 10 40.334 45.659 10.494 1.00 18.88 C -ATOM 1612 N VAL B 11 39.458 42.778 9.564 1.00 16.46 N -ATOM 1613 CA VAL B 11 38.380 41.916 9.108 1.00 17.83 C -ATOM 1614 C VAL B 11 37.408 41.788 10.319 1.00 17.32 C -ATOM 1615 O VAL B 11 37.858 41.422 11.408 1.00 19.28 O -ATOM 1616 CB VAL B 11 38.858 40.538 8.731 1.00 16.86 C -ATOM 1617 CG1 VAL B 11 37.720 39.559 8.410 1.00 18.83 C -ATOM 1618 CG2 VAL B 11 39.830 40.589 7.521 1.00 18.79 C -ATOM 1619 N VAL B 12 36.157 42.055 10.048 1.00 16.90 N -ATOM 1620 CA VAL B 12 35.144 41.904 11.117 1.00 18.89 C -ATOM 1621 C VAL B 12 34.155 40.829 10.674 1.00 22.42 C -ATOM 1622 O VAL B 12 33.369 41.088 9.757 1.00 23.34 O -ATOM 1623 CB VAL B 12 34.390 43.230 11.311 1.00 20.44 C -ATOM 1624 CG1 VAL B 12 33.257 43.014 12.350 1.00 21.90 C -ATOM 1625 CG2 VAL B 12 35.359 44.313 11.806 1.00 20.65 C -ATOM 1626 N PRO B 13 34.189 39.638 11.263 1.00 23.03 N -ATOM 1627 CA PRO B 13 33.236 38.579 10.910 1.00 24.23 C -ATOM 1628 C PRO B 13 31.881 39.050 11.464 1.00 27.74 C -ATOM 1629 O PRO B 13 31.787 39.487 12.623 1.00 30.42 O -ATOM 1630 CB PRO B 13 33.753 37.365 11.628 1.00 27.86 C -ATOM 1631 CG PRO B 13 35.093 37.704 12.167 1.00 25.46 C -ATOM 1632 CD PRO B 13 35.127 39.222 12.315 1.00 22.48 C -ATOM 1633 N ALA B 14 30.877 39.159 10.615 1.00 26.38 N -ATOM 1634 CA ALA B 14 29.571 39.682 11.021 1.00 28.36 C -ATOM 1635 C ALA B 14 28.419 38.841 10.490 1.00 30.70 C -ATOM 1636 O ALA B 14 27.418 39.345 9.988 1.00 30.06 O -ATOM 1637 CB ALA B 14 29.459 41.131 10.516 1.00 29.56 C -ATOM 1638 N ALA B 15 28.627 37.526 10.458 1.00 28.78 N -ATOM 1639 CA ALA B 15 27.606 36.602 9.970 1.00 33.45 C -ATOM 1640 C ALA B 15 26.401 36.548 10.895 1.00 33.01 C -ATOM 1641 O ALA B 15 26.450 37.035 12.019 1.00 34.81 O -ATOM 1642 CB ALA B 15 28.195 35.182 9.905 1.00 33.81 C -ATOM 1643 N GLY B 16 25.317 35.896 10.437 1.00 35.85 N -ATOM 1644 CA GLY B 16 24.164 35.742 11.305 1.00 35.80 C -ATOM 1645 C GLY B 16 22.880 36.341 10.863 1.00 39.68 C -ATOM 1646 O GLY B 16 21.799 36.009 11.415 1.00 39.03 O -ATOM 1647 N PHE B 17 22.880 37.268 9.913 1.00 40.20 N -ATOM 1648 CA PHE B 17 21.638 37.910 9.503 1.00 42.13 C -ATOM 1649 C PHE B 17 21.220 37.606 8.092 1.00 42.92 C -ATOM 1650 O PHE B 17 20.513 38.419 7.473 1.00 42.94 O -ATOM 1651 CB PHE B 17 21.737 39.425 9.738 1.00 43.99 C -ATOM 1652 CG PHE B 17 21.490 39.776 11.185 1.00 47.48 C -ATOM 1653 CD1 PHE B 17 22.517 39.665 12.107 1.00 49.75 C -ATOM 1654 CD2 PHE B 17 20.251 40.210 11.603 1.00 49.16 C -ATOM 1655 CE1 PHE B 17 22.306 39.968 13.433 1.00 49.87 C -ATOM 1656 CE2 PHE B 17 20.035 40.544 12.936 1.00 52.04 C -ATOM 1657 CZ PHE B 17 21.061 40.412 13.843 1.00 51.89 C -ATOM 1658 N GLY B 18 21.570 36.440 7.580 1.00 42.78 N -ATOM 1659 CA GLY B 18 21.178 36.067 6.214 1.00 44.54 C -ATOM 1660 C GLY B 18 20.113 34.960 6.283 1.00 45.01 C -ATOM 1661 O GLY B 18 19.445 34.884 7.331 1.00 43.79 O -ATOM 1662 N PRO B 26 23.109 37.243 17.040 1.00 42.66 N -ATOM 1663 CA PRO B 26 24.209 38.196 17.243 1.00 41.94 C -ATOM 1664 C PRO B 26 23.636 39.573 17.518 1.00 40.44 C -ATOM 1665 O PRO B 26 22.576 39.936 17.000 1.00 39.74 O -ATOM 1666 CB PRO B 26 25.023 38.140 15.970 1.00 42.32 C -ATOM 1667 CG PRO B 26 24.646 36.856 15.315 1.00 42.41 C -ATOM 1668 CD PRO B 26 23.182 36.661 15.670 1.00 42.80 C -ATOM 1669 N LYS B 27 24.330 40.323 18.374 1.00 37.83 N -ATOM 1670 CA LYS B 27 23.822 41.635 18.783 1.00 36.03 C -ATOM 1671 C LYS B 27 24.547 42.795 18.156 1.00 34.79 C -ATOM 1672 O LYS B 27 24.419 43.922 18.644 1.00 35.28 O -ATOM 1673 CB LYS B 27 23.993 41.693 20.332 1.00 40.46 C -ATOM 1674 CG LYS B 27 23.415 40.432 21.009 1.00 36.35 C -ATOM 1675 N GLN B 28 25.157 42.600 16.979 1.00 32.30 N -ATOM 1676 CA GLN B 28 25.886 43.674 16.321 1.00 32.03 C -ATOM 1677 C GLN B 28 25.015 44.804 15.837 1.00 31.17 C -ATOM 1678 O GLN B 28 25.487 45.906 15.564 1.00 30.19 O -ATOM 1679 CB GLN B 28 26.712 43.131 15.126 1.00 30.95 C -ATOM 1680 CG GLN B 28 25.837 42.653 13.968 1.00 36.94 C -ATOM 1681 CD GLN B 28 26.438 41.523 13.168 1.00 42.25 C -ATOM 1682 OE1 GLN B 28 27.080 40.623 13.693 1.00 43.75 O -ATOM 1683 NE2 GLN B 28 26.254 41.554 11.838 1.00 44.18 N -ATOM 1684 N TYR B 29 23.714 44.533 15.623 1.00 30.47 N -ATOM 1685 CA TYR B 29 22.833 45.549 15.116 1.00 32.83 C -ATOM 1686 C TYR B 29 22.042 46.282 16.197 1.00 33.41 C -ATOM 1687 O TYR B 29 21.137 47.037 15.790 1.00 34.90 O -ATOM 1688 CB TYR B 29 21.934 45.034 13.994 1.00 32.93 C -ATOM 1689 CG TYR B 29 22.703 44.660 12.743 1.00 31.19 C -ATOM 1690 CD1 TYR B 29 22.659 43.382 12.223 1.00 34.21 C -ATOM 1691 CD2 TYR B 29 23.519 45.600 12.101 1.00 32.52 C -ATOM 1692 CE1 TYR B 29 23.356 43.034 11.062 1.00 32.61 C -ATOM 1693 CE2 TYR B 29 24.221 45.252 10.971 1.00 34.30 C -ATOM 1694 CZ TYR B 29 24.123 43.992 10.444 1.00 34.84 C -ATOM 1695 OH TYR B 29 24.840 43.664 9.308 1.00 37.45 O -ATOM 1696 N LEU B 30 22.316 46.004 17.438 1.00 34.38 N -ATOM 1697 CA LEU B 30 21.753 46.745 18.583 1.00 35.93 C -ATOM 1698 C LEU B 30 22.422 48.134 18.556 1.00 36.79 C -ATOM 1699 O LEU B 30 23.527 48.246 18.007 1.00 33.98 O -ATOM 1700 CB LEU B 30 22.168 46.052 19.887 1.00 38.48 C -ATOM 1701 CG LEU B 30 21.258 44.968 20.440 1.00 40.55 C -ATOM 1702 CD1 LEU B 30 21.922 44.154 21.536 1.00 40.62 C -ATOM 1703 CD2 LEU B 30 19.976 45.609 20.989 1.00 44.78 C -ATOM 1704 N SER B 31 21.775 49.188 19.019 1.00 37.28 N -ATOM 1705 CA SER B 31 22.363 50.516 18.992 1.00 35.72 C -ATOM 1706 C SER B 31 22.797 51.006 20.377 1.00 34.63 C -ATOM 1707 O SER B 31 22.351 50.497 21.413 1.00 35.91 O -ATOM 1708 CB SER B 31 21.391 51.529 18.382 1.00 33.54 C -ATOM 1709 OG SER B 31 21.317 51.459 16.976 1.00 37.48 O -ATOM 1710 N ILE B 32 23.803 51.844 20.409 1.00 32.30 N -ATOM 1711 CA ILE B 32 24.343 52.544 21.547 1.00 30.11 C -ATOM 1712 C ILE B 32 24.440 54.018 21.053 1.00 30.50 C -ATOM 1713 O ILE B 32 25.189 54.320 20.125 1.00 25.21 O -ATOM 1714 CB ILE B 32 25.668 52.129 22.130 1.00 27.87 C -ATOM 1715 CG1 ILE B 32 25.611 50.723 22.762 1.00 32.71 C -ATOM 1716 CG2 ILE B 32 26.163 53.127 23.178 1.00 29.02 C -ATOM 1717 CD1 ILE B 32 27.021 50.157 22.948 1.00 32.54 C -ATOM 1718 N GLY B 33 23.584 54.848 21.625 1.00 29.45 N -ATOM 1719 CA GLY B 33 23.583 56.265 21.166 1.00 31.78 C -ATOM 1720 C GLY B 33 22.931 56.280 19.767 1.00 33.50 C -ATOM 1721 O GLY B 33 21.928 55.585 19.586 1.00 36.28 O -ATOM 1722 N ASN B 34 23.572 56.903 18.826 1.00 32.70 N -ATOM 1723 CA ASN B 34 23.191 57.074 17.461 1.00 36.43 C -ATOM 1724 C ASN B 34 23.789 56.062 16.474 1.00 32.99 C -ATOM 1725 O ASN B 34 23.590 56.248 15.265 1.00 32.77 O -ATOM 1726 CB ASN B 34 23.594 58.492 16.964 1.00 37.42 C -ATOM 1727 CG ASN B 34 25.048 58.717 16.741 1.00 42.78 C -ATOM 1728 OD1 ASN B 34 25.941 57.884 16.925 1.00 47.46 O -ATOM 1729 ND2 ASN B 34 25.434 59.928 16.282 1.00 45.13 N -ATOM 1730 N GLN B 35 24.577 55.121 16.940 1.00 30.70 N -ATOM 1731 CA GLN B 35 25.184 54.117 16.037 1.00 32.90 C -ATOM 1732 C GLN B 35 24.917 52.701 16.476 1.00 28.20 C -ATOM 1733 O GLN B 35 24.781 52.472 17.675 1.00 30.55 O -ATOM 1734 CB GLN B 35 26.748 54.298 16.183 1.00 28.78 C -ATOM 1735 CG GLN B 35 27.241 55.487 15.361 1.00 35.93 C -ATOM 1736 CD GLN B 35 28.755 55.635 15.554 1.00 37.59 C -ATOM 1737 OE1 GLN B 35 29.272 56.737 15.520 1.00 47.01 O -ATOM 1738 NE2 GLN B 35 29.427 54.524 15.786 1.00 36.61 N -ATOM 1739 N THR B 36 25.004 51.726 15.555 1.00 26.33 N -ATOM 1740 CA THR B 36 24.871 50.331 15.961 1.00 26.08 C -ATOM 1741 C THR B 36 26.212 49.903 16.623 1.00 23.49 C -ATOM 1742 O THR B 36 27.222 50.555 16.353 1.00 23.56 O -ATOM 1743 CB THR B 36 24.660 49.374 14.781 1.00 30.73 C -ATOM 1744 OG1 THR B 36 25.800 49.484 13.885 1.00 30.54 O -ATOM 1745 CG2 THR B 36 23.389 49.747 14.018 1.00 29.21 C -ATOM 1746 N ILE B 37 26.193 48.818 17.328 1.00 22.33 N -ATOM 1747 CA ILE B 37 27.408 48.286 17.976 1.00 24.46 C -ATOM 1748 C ILE B 37 28.461 47.987 16.926 1.00 21.85 C -ATOM 1749 O ILE B 37 29.644 48.293 17.094 1.00 21.85 O -ATOM 1750 CB ILE B 37 27.056 46.996 18.752 1.00 27.68 C -ATOM 1751 CG1 ILE B 37 26.370 47.447 20.078 1.00 29.53 C -ATOM 1752 CG2 ILE B 37 28.256 46.144 19.055 1.00 25.35 C -ATOM 1753 CD1 ILE B 37 25.711 46.239 20.756 1.00 33.23 C -ATOM 1754 N LEU B 38 27.987 47.424 15.796 1.00 22.66 N -ATOM 1755 CA LEU B 38 28.972 47.132 14.721 1.00 20.81 C -ATOM 1756 C LEU B 38 29.604 48.420 14.262 1.00 22.58 C -ATOM 1757 O LEU B 38 30.825 48.471 14.020 1.00 21.07 O -ATOM 1758 CB LEU B 38 28.271 46.406 13.575 1.00 23.78 C -ATOM 1759 CG LEU B 38 29.064 46.247 12.275 1.00 26.94 C -ATOM 1760 CD1 LEU B 38 30.208 45.273 12.476 1.00 25.40 C -ATOM 1761 CD2 LEU B 38 28.127 45.726 11.168 1.00 27.31 C -ATOM 1762 N GLU B 39 28.862 49.529 14.131 1.00 20.86 N -ATOM 1763 CA GLU B 39 29.499 50.788 13.718 1.00 21.35 C -ATOM 1764 C GLU B 39 30.470 51.310 14.757 1.00 21.45 C -ATOM 1765 O GLU B 39 31.549 51.813 14.393 1.00 22.51 O -ATOM 1766 CB GLU B 39 28.393 51.837 13.442 1.00 23.81 C -ATOM 1767 CG GLU B 39 27.649 51.373 12.151 1.00 25.25 C -ATOM 1768 CD GLU B 39 26.450 52.324 11.899 1.00 26.70 C -ATOM 1769 OE1 GLU B 39 26.618 53.153 11.020 1.00 31.50 O -ATOM 1770 OE2 GLU B 39 25.445 52.148 12.599 1.00 26.34 O -ATOM 1771 N HIS B 40 30.140 51.172 16.039 1.00 18.33 N -ATOM 1772 CA HIS B 40 31.096 51.619 17.071 1.00 19.74 C -ATOM 1773 C HIS B 40 32.391 50.775 16.960 1.00 21.29 C -ATOM 1774 O HIS B 40 33.502 51.316 17.063 1.00 20.72 O -ATOM 1775 CB HIS B 40 30.509 51.432 18.467 1.00 19.27 C -ATOM 1776 CG HIS B 40 29.468 52.469 18.851 1.00 22.68 C -ATOM 1777 ND1 HIS B 40 29.802 53.728 19.262 1.00 26.80 N -ATOM 1778 CD2 HIS B 40 28.134 52.360 18.958 1.00 22.57 C -ATOM 1779 CE1 HIS B 40 28.690 54.380 19.621 1.00 26.28 C -ATOM 1780 NE2 HIS B 40 27.676 53.568 19.453 1.00 24.27 N -ATOM 1781 N SER B 41 32.235 49.478 16.746 1.00 20.83 N -ATOM 1782 CA SER B 41 33.378 48.573 16.651 1.00 21.25 C -ATOM 1783 C SER B 41 34.229 48.929 15.448 1.00 21.11 C -ATOM 1784 O SER B 41 35.451 49.002 15.565 1.00 21.51 O -ATOM 1785 CB SER B 41 32.976 47.103 16.564 1.00 19.97 C -ATOM 1786 OG SER B 41 32.165 46.744 17.652 1.00 23.99 O -ATOM 1787 N VAL B 42 33.581 49.268 14.316 1.00 19.83 N -ATOM 1788 CA VAL B 42 34.397 49.587 13.128 1.00 21.49 C -ATOM 1789 C VAL B 42 35.083 50.918 13.254 1.00 23.39 C -ATOM 1790 O VAL B 42 36.278 51.068 12.875 1.00 21.62 O -ATOM 1791 CB VAL B 42 33.526 49.504 11.860 1.00 26.36 C -ATOM 1792 CG1 VAL B 42 34.220 50.038 10.624 1.00 25.27 C -ATOM 1793 CG2 VAL B 42 33.099 48.041 11.644 1.00 24.57 C -ATOM 1794 N HIS B 43 34.412 51.926 13.820 1.00 21.55 N -ATOM 1795 CA HIS B 43 35.061 53.232 13.967 1.00 23.98 C -ATOM 1796 C HIS B 43 36.214 53.102 14.970 1.00 20.94 C -ATOM 1797 O HIS B 43 37.186 53.833 14.808 1.00 22.32 O -ATOM 1798 CB HIS B 43 34.119 54.336 14.410 1.00 26.56 C -ATOM 1799 CG HIS B 43 33.215 54.797 13.279 1.00 30.42 C -ATOM 1800 ND1 HIS B 43 33.685 55.384 12.120 1.00 29.69 N -ATOM 1801 CD2 HIS B 43 31.871 54.711 13.168 1.00 31.88 C -ATOM 1802 CE1 HIS B 43 32.643 55.613 11.321 1.00 30.27 C -ATOM 1803 NE2 HIS B 43 31.535 55.236 11.937 1.00 28.58 N -ATOM 1804 N ALA B 44 36.122 52.205 15.934 1.00 21.33 N -ATOM 1805 CA ALA B 44 37.248 52.014 16.883 1.00 19.16 C -ATOM 1806 C ALA B 44 38.486 51.498 16.145 1.00 21.05 C -ATOM 1807 O ALA B 44 39.611 51.942 16.458 1.00 20.29 O -ATOM 1808 CB ALA B 44 36.847 51.027 17.978 1.00 18.65 C -ATOM 1809 N LEU B 45 38.296 50.656 15.121 1.00 18.67 N -ATOM 1810 CA LEU B 45 39.406 50.156 14.321 1.00 18.70 C -ATOM 1811 C LEU B 45 39.988 51.264 13.430 1.00 20.43 C -ATOM 1812 O LEU B 45 41.200 51.272 13.173 1.00 22.88 O -ATOM 1813 CB LEU B 45 38.941 49.001 13.390 1.00 18.84 C -ATOM 1814 CG LEU B 45 38.463 47.740 14.171 1.00 20.67 C -ATOM 1815 CD1 LEU B 45 37.632 46.849 13.246 1.00 21.06 C -ATOM 1816 CD2 LEU B 45 39.630 46.985 14.747 1.00 21.13 C -ATOM 1817 N LEU B 46 39.144 52.132 12.898 1.00 19.84 N -ATOM 1818 CA LEU B 46 39.601 53.214 12.028 1.00 21.39 C -ATOM 1819 C LEU B 46 40.319 54.348 12.766 1.00 18.37 C -ATOM 1820 O LEU B 46 40.899 55.229 12.110 1.00 22.07 O -ATOM 1821 CB LEU B 46 38.390 53.800 11.278 1.00 20.68 C -ATOM 1822 CG LEU B 46 37.793 52.883 10.210 1.00 24.05 C -ATOM 1823 CD1 LEU B 46 36.496 53.443 9.677 1.00 28.76 C -ATOM 1824 CD2 LEU B 46 38.811 52.616 9.119 1.00 24.56 C -ATOM 1825 N ALA B 47 40.377 54.349 14.091 1.00 22.34 N -ATOM 1826 CA ALA B 47 41.103 55.389 14.815 1.00 20.00 C -ATOM 1827 C ALA B 47 42.607 55.376 14.514 1.00 20.88 C -ATOM 1828 O ALA B 47 43.228 56.443 14.691 1.00 23.22 O -ATOM 1829 CB ALA B 47 40.939 55.250 16.316 1.00 20.85 C -ATOM 1830 N HIS B 48 43.204 54.252 14.253 1.00 19.42 N -ATOM 1831 CA HIS B 48 44.628 54.161 13.956 1.00 20.87 C -ATOM 1832 C HIS B 48 44.879 54.363 12.469 1.00 21.95 C -ATOM 1833 O HIS B 48 44.382 53.593 11.628 1.00 22.87 O -ATOM 1834 CB HIS B 48 45.204 52.825 14.394 1.00 23.62 C -ATOM 1835 CG HIS B 48 46.698 52.826 14.554 1.00 22.62 C -ATOM 1836 ND1 HIS B 48 47.597 52.975 13.518 1.00 25.72 N -ATOM 1837 CD2 HIS B 48 47.447 52.733 15.683 1.00 25.64 C -ATOM 1838 CE1 HIS B 48 48.820 52.956 13.978 1.00 23.84 C -ATOM 1839 NE2 HIS B 48 48.764 52.783 15.313 1.00 23.56 N -ATOM 1840 N PRO B 49 45.764 55.298 12.120 1.00 22.01 N -ATOM 1841 CA PRO B 49 46.048 55.574 10.715 1.00 23.77 C -ATOM 1842 C PRO B 49 46.649 54.468 9.929 1.00 24.95 C -ATOM 1843 O PRO B 49 46.473 54.458 8.669 1.00 23.89 O -ATOM 1844 CB PRO B 49 46.928 56.840 10.771 1.00 26.77 C -ATOM 1845 CG PRO B 49 47.528 56.812 12.115 1.00 26.50 C -ATOM 1846 CD PRO B 49 46.476 56.202 13.040 1.00 23.79 C -ATOM 1847 N ARG B 50 47.201 53.405 10.516 1.00 24.13 N -ATOM 1848 CA ARG B 50 47.728 52.282 9.766 1.00 23.23 C -ATOM 1849 C ARG B 50 46.594 51.417 9.204 1.00 23.17 C -ATOM 1850 O ARG B 50 46.859 50.653 8.281 1.00 23.13 O -ATOM 1851 CB ARG B 50 48.638 51.346 10.561 1.00 24.15 C -ATOM 1852 CG ARG B 50 50.044 51.886 10.738 1.00 29.30 C -ATOM 1853 CD ARG B 50 50.913 50.975 11.555 1.00 28.77 C -ATOM 1854 NE ARG B 50 51.073 49.639 10.993 1.00 29.11 N -ATOM 1855 CZ ARG B 50 51.549 48.605 11.661 1.00 27.83 C -ATOM 1856 NH1 ARG B 50 51.931 48.715 12.938 1.00 27.92 N -ATOM 1857 NH2 ARG B 50 51.652 47.428 11.046 1.00 30.32 N -ATOM 1858 N VAL B 51 45.428 51.484 9.848 1.00 23.93 N -ATOM 1859 CA VAL B 51 44.301 50.651 9.351 1.00 20.52 C -ATOM 1860 C VAL B 51 43.746 51.347 8.127 1.00 21.26 C -ATOM 1861 O VAL B 51 43.135 52.419 8.184 1.00 22.63 O -ATOM 1862 CB VAL B 51 43.216 50.539 10.451 1.00 19.37 C -ATOM 1863 CG1 VAL B 51 42.055 49.707 9.903 1.00 21.69 C -ATOM 1864 CG2 VAL B 51 43.833 49.883 11.677 1.00 17.12 C -ATOM 1865 N LYS B 52 43.974 50.727 6.977 1.00 22.49 N -ATOM 1866 CA LYS B 52 43.539 51.385 5.726 1.00 23.73 C -ATOM 1867 C LYS B 52 42.180 50.928 5.265 1.00 24.46 C -ATOM 1868 O LYS B 52 41.606 51.528 4.334 1.00 21.72 O -ATOM 1869 CB LYS B 52 44.563 50.921 4.643 1.00 28.42 C -ATOM 1870 CG LYS B 52 45.979 51.289 4.947 1.00 34.28 C -ATOM 1871 CD LYS B 52 46.212 52.707 5.397 1.00 39.18 C -ATOM 1872 CE LYS B 52 47.732 52.975 5.437 1.00 39.58 C -ATOM 1873 NZ LYS B 52 48.030 54.223 6.193 1.00 45.12 N -ATOM 1874 N ARG B 53 41.779 49.746 5.739 1.00 21.15 N -ATOM 1875 CA ARG B 53 40.493 49.221 5.234 1.00 21.80 C -ATOM 1876 C ARG B 53 39.859 48.288 6.264 1.00 19.79 C -ATOM 1877 O ARG B 53 40.582 47.734 7.091 1.00 21.07 O -ATOM 1878 CB ARG B 53 40.873 48.408 3.967 1.00 25.17 C -ATOM 1879 CG ARG B 53 40.037 47.212 3.659 1.00 35.79 C -ATOM 1880 CD ARG B 53 39.867 47.037 2.136 1.00 41.49 C -ATOM 1881 NE ARG B 53 38.736 47.875 1.764 1.00 45.37 N -ATOM 1882 CZ ARG B 53 38.804 49.124 1.286 1.00 36.97 C -ATOM 1883 NH1 ARG B 53 39.966 49.680 1.109 1.00 42.60 N -ATOM 1884 NH2 ARG B 53 37.640 49.740 1.102 1.00 24.65 N -ATOM 1885 N VAL B 54 38.544 48.272 6.296 1.00 19.50 N -ATOM 1886 CA VAL B 54 37.836 47.315 7.175 1.00 18.26 C -ATOM 1887 C VAL B 54 36.912 46.476 6.271 1.00 18.56 C -ATOM 1888 O VAL B 54 36.034 47.010 5.581 1.00 21.75 O -ATOM 1889 CB VAL B 54 37.068 47.954 8.322 1.00 18.59 C -ATOM 1890 CG1 VAL B 54 36.502 46.847 9.217 1.00 19.91 C -ATOM 1891 CG2 VAL B 54 37.954 48.856 9.174 1.00 19.45 C -ATOM 1892 N VAL B 55 37.158 45.182 6.252 1.00 20.17 N -ATOM 1893 CA VAL B 55 36.389 44.235 5.457 1.00 17.21 C -ATOM 1894 C VAL B 55 35.354 43.606 6.401 1.00 21.05 C -ATOM 1895 O VAL B 55 35.759 42.980 7.389 1.00 20.41 O -ATOM 1896 CB VAL B 55 37.274 43.169 4.845 1.00 18.27 C -ATOM 1897 CG1 VAL B 55 36.393 42.213 3.978 1.00 21.12 C -ATOM 1898 CG2 VAL B 55 38.306 43.763 3.886 1.00 18.88 C -ATOM 1899 N ILE B 56 34.084 43.772 6.102 1.00 19.52 N -ATOM 1900 CA ILE B 56 33.027 43.201 6.935 1.00 19.01 C -ATOM 1901 C ILE B 56 32.447 41.975 6.202 1.00 20.58 C -ATOM 1902 O ILE B 56 32.038 42.109 5.065 1.00 20.38 O -ATOM 1903 CB ILE B 56 31.888 44.238 7.114 1.00 23.17 C -ATOM 1904 CG1 ILE B 56 32.432 45.587 7.577 1.00 28.26 C -ATOM 1905 CG2 ILE B 56 30.849 43.693 8.084 1.00 22.69 C -ATOM 1906 CD1 ILE B 56 32.887 45.670 8.971 1.00 33.18 C -ATOM 1907 N ALA B 57 32.514 40.812 6.842 1.00 19.98 N -ATOM 1908 CA ALA B 57 32.018 39.594 6.173 1.00 20.55 C -ATOM 1909 C ALA B 57 30.625 39.304 6.687 1.00 22.79 C -ATOM 1910 O ALA B 57 30.462 38.992 7.863 1.00 22.87 O -ATOM 1911 CB ALA B 57 33.014 38.464 6.375 1.00 22.34 C -ATOM 1912 N ILE B 58 29.622 39.458 5.812 1.00 22.52 N -ATOM 1913 CA ILE B 58 28.232 39.244 6.257 1.00 24.44 C -ATOM 1914 C ILE B 58 27.689 37.956 5.654 1.00 27.68 C -ATOM 1915 O ILE B 58 28.315 37.369 4.772 1.00 26.36 O -ATOM 1916 CB ILE B 58 27.350 40.431 5.849 1.00 27.52 C -ATOM 1917 CG1 ILE B 58 27.346 40.601 4.322 1.00 30.05 C -ATOM 1918 CG2 ILE B 58 27.814 41.718 6.519 1.00 29.51 C -ATOM 1919 CD1 ILE B 58 26.384 41.656 3.800 1.00 33.80 C -ATOM 1920 N SER B 59 26.577 37.438 6.225 1.00 27.14 N -ATOM 1921 CA SER B 59 26.026 36.210 5.675 1.00 28.80 C -ATOM 1922 C SER B 59 25.216 36.480 4.393 1.00 28.41 C -ATOM 1923 O SER B 59 24.535 37.478 4.307 1.00 29.47 O -ATOM 1924 CB SER B 59 24.992 35.575 6.673 1.00 28.55 C -ATOM 1925 OG SER B 59 25.748 35.116 7.796 1.00 29.80 O -ATOM 1926 N PRO B 60 25.298 35.542 3.476 1.00 31.12 N -ATOM 1927 CA PRO B 60 24.523 35.671 2.225 1.00 34.31 C -ATOM 1928 C PRO B 60 23.075 35.928 2.631 1.00 32.77 C -ATOM 1929 O PRO B 60 22.578 35.257 3.547 1.00 35.62 O -ATOM 1930 CB PRO B 60 24.693 34.318 1.568 1.00 34.78 C -ATOM 1931 CG PRO B 60 25.993 33.792 2.090 1.00 34.27 C -ATOM 1932 CD PRO B 60 26.142 34.349 3.483 1.00 32.87 C -ATOM 1933 N GLY B 61 22.470 36.991 2.149 1.00 35.12 N -ATOM 1934 CA GLY B 61 21.066 37.271 2.505 1.00 36.41 C -ATOM 1935 C GLY B 61 20.917 38.381 3.494 1.00 36.13 C -ATOM 1936 O GLY B 61 19.805 38.782 3.886 1.00 35.82 O -ATOM 1937 N ASP B 62 22.053 38.825 4.077 1.00 34.90 N -ATOM 1938 CA ASP B 62 21.965 39.917 5.058 1.00 34.84 C -ATOM 1939 C ASP B 62 21.699 41.223 4.313 1.00 36.27 C -ATOM 1940 O ASP B 62 22.483 41.610 3.459 1.00 34.97 O -ATOM 1941 CB ASP B 62 23.271 40.007 5.854 1.00 32.56 C -ATOM 1942 CG ASP B 62 23.361 41.137 6.830 1.00 36.12 C -ATOM 1943 OD1 ASP B 62 22.673 42.156 6.608 1.00 38.63 O -ATOM 1944 OD2 ASP B 62 24.128 41.051 7.827 1.00 31.22 O -ATOM 1945 N SER B 63 20.519 41.806 4.548 1.00 35.72 N -ATOM 1946 CA SER B 63 20.218 43.092 3.902 1.00 35.95 C -ATOM 1947 C SER B 63 20.214 44.163 4.989 1.00 36.38 C -ATOM 1948 O SER B 63 19.828 45.305 4.771 1.00 36.97 O -ATOM 1949 CB SER B 63 18.852 43.041 3.203 1.00 38.17 C -ATOM 1950 OG SER B 63 17.886 42.489 4.121 1.00 39.51 O -ATOM 1951 N ARG B 64 20.631 43.777 6.206 1.00 35.68 N -ATOM 1952 CA ARG B 64 20.637 44.738 7.312 1.00 36.18 C -ATOM 1953 C ARG B 64 21.789 45.716 7.192 1.00 35.98 C -ATOM 1954 O ARG B 64 21.634 46.931 7.330 1.00 36.04 O -ATOM 1955 CB ARG B 64 20.699 44.002 8.657 1.00 40.15 C -ATOM 1956 N PHE B 65 22.986 45.184 6.907 1.00 32.78 N -ATOM 1957 CA PHE B 65 24.167 46.000 6.773 1.00 28.88 C -ATOM 1958 C PHE B 65 24.042 47.144 5.794 1.00 29.25 C -ATOM 1959 O PHE B 65 24.480 48.273 6.071 1.00 26.93 O -ATOM 1960 CB PHE B 65 25.394 45.118 6.372 1.00 28.93 C -ATOM 1961 CG PHE B 65 26.645 45.977 6.509 1.00 31.22 C -ATOM 1962 CD1 PHE B 65 27.224 46.150 7.750 1.00 30.85 C -ATOM 1963 CD2 PHE B 65 27.175 46.615 5.405 1.00 32.17 C -ATOM 1964 CE1 PHE B 65 28.332 46.964 7.884 1.00 30.39 C -ATOM 1965 CE2 PHE B 65 28.293 47.426 5.533 1.00 30.92 C -ATOM 1966 CZ PHE B 65 28.876 47.594 6.780 1.00 31.60 C -ATOM 1967 N ALA B 66 23.397 46.937 4.631 1.00 30.58 N -ATOM 1968 CA ALA B 66 23.225 47.940 3.623 1.00 31.33 C -ATOM 1969 C ALA B 66 22.420 49.160 4.065 1.00 32.51 C -ATOM 1970 O ALA B 66 22.515 50.201 3.418 1.00 34.99 O -ATOM 1971 CB ALA B 66 22.589 47.355 2.356 1.00 32.66 C -ATOM 1972 N GLN B 67 21.724 49.058 5.166 1.00 34.13 N -ATOM 1973 CA GLN B 67 20.907 50.087 5.759 1.00 35.53 C -ATOM 1974 C GLN B 67 21.680 51.047 6.632 1.00 35.88 C -ATOM 1975 O GLN B 67 21.222 52.151 6.928 1.00 36.13 O -ATOM 1976 CB GLN B 67 19.765 49.448 6.567 1.00 37.46 C -ATOM 1977 N LEU B 68 22.914 50.686 7.039 1.00 34.80 N -ATOM 1978 CA LEU B 68 23.686 51.566 7.877 1.00 33.90 C -ATOM 1979 C LEU B 68 24.395 52.681 7.137 1.00 32.52 C -ATOM 1980 O LEU B 68 24.927 52.538 6.019 1.00 32.68 O -ATOM 1981 CB LEU B 68 24.784 50.740 8.629 1.00 29.74 C -ATOM 1982 CG LEU B 68 24.302 49.473 9.306 1.00 32.12 C -ATOM 1983 CD1 LEU B 68 25.471 48.734 9.970 1.00 32.77 C -ATOM 1984 CD2 LEU B 68 23.227 49.767 10.341 1.00 33.07 C -ATOM 1985 N PRO B 69 24.630 53.788 7.845 1.00 31.80 N -ATOM 1986 CA PRO B 69 25.386 54.907 7.311 1.00 30.38 C -ATOM 1987 C PRO B 69 26.795 54.419 6.933 1.00 31.87 C -ATOM 1988 O PRO B 69 27.415 54.874 6.007 1.00 31.30 O -ATOM 1989 CB PRO B 69 25.497 55.859 8.503 1.00 33.71 C -ATOM 1990 CG PRO B 69 24.303 55.553 9.346 1.00 34.08 C -ATOM 1991 CD PRO B 69 24.101 54.056 9.198 1.00 32.98 C -ATOM 1992 N LEU B 70 27.303 53.448 7.717 1.00 31.64 N -ATOM 1993 CA LEU B 70 28.625 52.868 7.484 1.00 32.42 C -ATOM 1994 C LEU B 70 28.747 52.197 6.149 1.00 29.88 C -ATOM 1995 O LEU B 70 29.831 52.155 5.538 1.00 32.40 O -ATOM 1996 CB LEU B 70 28.937 51.842 8.608 1.00 29.83 C -ATOM 1997 CG LEU B 70 30.367 51.289 8.594 1.00 29.53 C -ATOM 1998 CD1 LEU B 70 31.364 52.357 9.017 1.00 29.81 C -ATOM 1999 CD2 LEU B 70 30.501 50.050 9.460 1.00 28.91 C -ATOM 2000 N ALA B 71 27.650 51.709 5.541 1.00 31.49 N -ATOM 2001 CA ALA B 71 27.753 51.061 4.232 1.00 31.82 C -ATOM 2002 C ALA B 71 28.280 51.976 3.145 1.00 34.60 C -ATOM 2003 O ALA B 71 28.764 51.499 2.105 1.00 34.87 O -ATOM 2004 CB ALA B 71 26.405 50.461 3.829 1.00 38.69 C -ATOM 2005 N ASN B 72 28.236 53.306 3.330 1.00 33.92 N -ATOM 2006 CA ASN B 72 28.785 54.192 2.295 1.00 34.78 C -ATOM 2007 C ASN B 72 30.160 54.708 2.660 1.00 31.24 C -ATOM 2008 O ASN B 72 30.707 55.589 1.998 1.00 31.21 O -ATOM 2009 CB ASN B 72 27.831 55.351 2.012 1.00 45.41 C -ATOM 2010 CG ASN B 72 26.562 54.905 1.312 1.00 50.80 C -ATOM 2011 OD1 ASN B 72 25.527 55.564 1.435 1.00 58.06 O -ATOM 2012 ND2 ASN B 72 26.623 53.791 0.593 1.00 53.59 N -ATOM 2013 N HIS B 73 30.815 54.145 3.682 1.00 29.41 N -ATOM 2014 CA HIS B 73 32.168 54.652 4.044 1.00 28.99 C -ATOM 2015 C HIS B 73 33.185 54.196 3.035 1.00 29.37 C -ATOM 2016 O HIS B 73 33.203 53.007 2.653 1.00 27.09 O -ATOM 2017 CB HIS B 73 32.469 54.075 5.455 1.00 26.16 C -ATOM 2018 CG HIS B 73 33.598 54.780 6.144 1.00 25.86 C -ATOM 2019 ND1 HIS B 73 34.890 54.735 5.717 1.00 26.84 N -ATOM 2020 CD2 HIS B 73 33.595 55.492 7.300 1.00 28.88 C -ATOM 2021 CE1 HIS B 73 35.671 55.408 6.561 1.00 28.61 C -ATOM 2022 NE2 HIS B 73 34.901 55.880 7.525 1.00 29.57 N -ATOM 2023 N PRO B 74 34.085 55.038 2.554 1.00 29.58 N -ATOM 2024 CA PRO B 74 35.067 54.663 1.561 1.00 31.32 C -ATOM 2025 C PRO B 74 36.086 53.643 1.990 1.00 29.40 C -ATOM 2026 O PRO B 74 36.644 52.937 1.132 1.00 30.86 O -ATOM 2027 CB PRO B 74 35.712 55.984 1.139 1.00 33.43 C -ATOM 2028 CG PRO B 74 35.494 56.875 2.307 1.00 32.93 C -ATOM 2029 CD PRO B 74 34.143 56.494 2.873 1.00 32.01 C -ATOM 2030 N GLN B 75 36.319 53.467 3.305 1.00 25.61 N -ATOM 2031 CA GLN B 75 37.280 52.464 3.756 1.00 24.55 C -ATOM 2032 C GLN B 75 36.635 51.138 4.158 1.00 22.63 C -ATOM 2033 O GLN B 75 37.353 50.264 4.675 1.00 23.88 O -ATOM 2034 CB GLN B 75 38.044 52.997 5.004 1.00 25.29 C -ATOM 2035 CG GLN B 75 38.876 54.237 4.578 1.00 28.93 C -ATOM 2036 CD GLN B 75 39.731 54.689 5.747 1.00 36.73 C -ATOM 2037 OE1 GLN B 75 39.267 55.415 6.626 1.00 37.63 O -ATOM 2038 NE2 GLN B 75 40.976 54.220 5.746 1.00 36.02 N -ATOM 2039 N ILE B 76 35.341 50.987 3.951 1.00 21.53 N -ATOM 2040 CA ILE B 76 34.659 49.722 4.276 1.00 22.20 C -ATOM 2041 C ILE B 76 34.464 48.888 3.034 1.00 22.84 C -ATOM 2042 O ILE B 76 34.159 49.406 1.901 1.00 21.97 O -ATOM 2043 CB ILE B 76 33.300 50.033 4.935 1.00 24.32 C -ATOM 2044 CG1 ILE B 76 33.428 50.227 6.443 1.00 27.23 C -ATOM 2045 CG2 ILE B 76 32.278 48.927 4.685 1.00 25.78 C -ATOM 2046 CD1 ILE B 76 34.598 50.959 6.994 1.00 28.11 C -ATOM 2047 N THR B 77 34.703 47.591 3.156 1.00 21.54 N -ATOM 2048 CA THR B 77 34.493 46.660 2.036 1.00 22.02 C -ATOM 2049 C THR B 77 33.608 45.535 2.575 1.00 24.10 C -ATOM 2050 O THR B 77 33.769 45.178 3.762 1.00 25.25 O -ATOM 2051 CB THR B 77 35.818 46.063 1.546 1.00 22.54 C -ATOM 2052 OG1 THR B 77 36.591 47.113 0.975 1.00 24.28 O -ATOM 2053 CG2 THR B 77 35.546 44.951 0.554 1.00 27.19 C -ATOM 2054 N VAL B 78 32.575 45.170 1.838 1.00 23.30 N -ATOM 2055 CA VAL B 78 31.645 44.129 2.325 1.00 23.23 C -ATOM 2056 C VAL B 78 31.707 42.937 1.407 1.00 23.36 C -ATOM 2057 O VAL B 78 31.634 43.070 0.157 1.00 21.02 O -ATOM 2058 CB VAL B 78 30.192 44.671 2.358 1.00 28.32 C -ATOM 2059 CG1 VAL B 78 29.194 43.617 2.787 1.00 27.30 C -ATOM 2060 CG2 VAL B 78 30.087 45.867 3.314 1.00 29.55 C -ATOM 2061 N VAL B 79 31.921 41.754 1.980 1.00 20.30 N -ATOM 2062 CA VAL B 79 31.985 40.504 1.221 1.00 19.99 C -ATOM 2063 C VAL B 79 31.085 39.498 1.925 1.00 21.55 C -ATOM 2064 O VAL B 79 30.785 39.668 3.095 1.00 22.86 O -ATOM 2065 CB VAL B 79 33.407 39.890 1.157 1.00 18.21 C -ATOM 2066 CG1 VAL B 79 34.421 40.864 0.569 1.00 17.63 C -ATOM 2067 CG2 VAL B 79 33.839 39.475 2.563 1.00 21.64 C -ATOM 2068 N ASP B 80 30.641 38.435 1.209 1.00 22.08 N -ATOM 2069 CA ASP B 80 29.858 37.444 1.927 1.00 23.19 C -ATOM 2070 C ASP B 80 30.875 36.446 2.566 1.00 22.64 C -ATOM 2071 O ASP B 80 31.852 36.127 1.918 1.00 22.75 O -ATOM 2072 CB ASP B 80 28.954 36.627 1.023 1.00 26.44 C -ATOM 2073 CG ASP B 80 27.755 37.428 0.526 1.00 25.20 C -ATOM 2074 OD1 ASP B 80 27.513 38.539 1.008 1.00 29.82 O -ATOM 2075 OD2 ASP B 80 27.057 36.858 -0.359 1.00 29.31 O -ATOM 2076 N GLY B 81 30.554 36.064 3.769 1.00 26.93 N -ATOM 2077 CA GLY B 81 31.402 35.111 4.508 1.00 31.30 C -ATOM 2078 C GLY B 81 30.712 33.752 4.550 1.00 36.91 C -ATOM 2079 O GLY B 81 29.778 33.533 3.781 1.00 37.97 O -ATOM 2080 N GLY B 82 31.240 32.824 5.354 1.00 36.94 N -ATOM 2081 CA GLY B 82 30.649 31.487 5.356 1.00 41.30 C -ATOM 2082 C GLY B 82 29.975 31.060 6.634 1.00 42.89 C -ATOM 2083 O GLY B 82 29.514 31.822 7.467 1.00 43.78 O -ATOM 2084 N ASP B 83 29.875 29.729 6.779 1.00 44.99 N -ATOM 2085 CA ASP B 83 29.245 29.106 7.919 1.00 44.87 C -ATOM 2086 C ASP B 83 29.931 29.444 9.232 1.00 43.12 C -ATOM 2087 O ASP B 83 29.389 30.158 10.080 1.00 44.51 O -ATOM 2088 CB ASP B 83 29.203 27.581 7.703 1.00 45.37 C -ATOM 2089 N GLU B 84 31.198 29.073 9.361 1.00 39.57 N -ATOM 2090 CA GLU B 84 31.889 29.322 10.633 1.00 35.32 C -ATOM 2091 C GLU B 84 32.737 30.564 10.603 1.00 33.31 C -ATOM 2092 O GLU B 84 33.078 31.072 9.529 1.00 32.15 O -ATOM 2093 CB AGLU B 84 32.657 28.083 11.057 0.65 40.57 C -ATOM 2094 CB BGLU B 84 32.721 28.051 10.950 0.35 37.27 C -ATOM 2095 CG AGLU B 84 31.824 26.839 11.265 0.65 45.73 C -ATOM 2096 CG BGLU B 84 31.841 26.838 11.176 0.35 39.64 C -ATOM 2097 CD AGLU B 84 30.459 27.013 11.860 0.65 48.01 C -ATOM 2098 CD BGLU B 84 32.493 25.497 11.278 0.35 40.27 C -ATOM 2099 OE1AGLU B 84 30.158 28.005 12.551 0.65 48.59 O -ATOM 2100 OE1BGLU B 84 33.712 25.329 11.082 0.35 38.21 O -ATOM 2101 OE2AGLU B 84 29.603 26.106 11.633 0.65 50.26 O -ATOM 2102 OE2BGLU B 84 31.752 24.501 11.542 0.35 42.48 O -ATOM 2103 N ARG B 85 33.122 31.065 11.777 1.00 30.14 N -ATOM 2104 CA ARG B 85 33.975 32.265 11.818 1.00 26.42 C -ATOM 2105 C ARG B 85 35.193 32.114 10.951 1.00 26.88 C -ATOM 2106 O ARG B 85 35.631 33.103 10.337 1.00 25.48 O -ATOM 2107 CB ARG B 85 34.370 32.568 13.270 1.00 27.83 C -ATOM 2108 CG ARG B 85 35.202 33.797 13.486 1.00 30.13 C -ATOM 2109 CD ARG B 85 35.530 34.015 14.961 1.00 30.35 C -ATOM 2110 NE ARG B 85 36.386 35.195 15.176 1.00 33.13 N -ATOM 2111 CZ ARG B 85 35.897 36.402 15.446 1.00 33.16 C -ATOM 2112 NH1 ARG B 85 34.576 36.589 15.522 1.00 32.09 N -ATOM 2113 NH2 ARG B 85 36.717 37.425 15.665 1.00 33.00 N -ATOM 2114 N ALA B 86 35.847 30.939 10.934 1.00 26.61 N -ATOM 2115 CA ALA B 86 37.038 30.760 10.124 1.00 25.94 C -ATOM 2116 C ALA B 86 36.756 30.952 8.631 1.00 26.31 C -ATOM 2117 O ALA B 86 37.587 31.597 7.987 1.00 23.73 O -ATOM 2118 CB ALA B 86 37.691 29.404 10.358 1.00 27.80 C -ATOM 2119 N ASP B 87 35.606 30.507 8.125 1.00 25.89 N -ATOM 2120 CA ASP B 87 35.216 30.712 6.735 1.00 26.18 C -ATOM 2121 C ASP B 87 35.011 32.226 6.489 1.00 22.48 C -ATOM 2122 O ASP B 87 35.415 32.704 5.432 1.00 24.68 O -ATOM 2123 CB ASP B 87 33.938 29.975 6.354 1.00 29.45 C -ATOM 2124 CG ASP B 87 34.004 28.460 6.588 1.00 32.55 C -ATOM 2125 OD1 ASP B 87 34.886 27.827 5.992 1.00 33.25 O -ATOM 2126 OD2 ASP B 87 33.159 27.933 7.339 1.00 34.55 O -ATOM 2127 N SER B 88 34.363 32.908 7.419 1.00 21.12 N -ATOM 2128 CA SER B 88 34.185 34.362 7.278 1.00 21.71 C -ATOM 2129 C SER B 88 35.518 35.093 7.221 1.00 23.27 C -ATOM 2130 O SER B 88 35.690 36.031 6.421 1.00 23.47 O -ATOM 2131 CB SER B 88 33.297 34.955 8.346 1.00 28.84 C -ATOM 2132 OG SER B 88 31.969 34.455 8.188 1.00 34.22 O -ATOM 2133 N VAL B 89 36.433 34.794 8.146 1.00 21.05 N -ATOM 2134 CA VAL B 89 37.732 35.464 8.140 1.00 20.93 C -ATOM 2135 C VAL B 89 38.461 35.188 6.860 1.00 20.37 C -ATOM 2136 O VAL B 89 39.009 36.098 6.228 1.00 21.58 O -ATOM 2137 CB VAL B 89 38.599 35.077 9.361 1.00 18.76 C -ATOM 2138 CG1 VAL B 89 39.967 35.720 9.256 1.00 20.78 C -ATOM 2139 CG2 VAL B 89 37.879 35.618 10.633 1.00 19.89 C -ATOM 2140 N LEU B 90 38.431 33.925 6.387 1.00 20.29 N -ATOM 2141 CA LEU B 90 39.106 33.601 5.112 1.00 19.11 C -ATOM 2142 C LEU B 90 38.463 34.375 3.958 1.00 20.14 C -ATOM 2143 O LEU B 90 39.213 34.847 3.055 1.00 21.92 O -ATOM 2144 CB LEU B 90 38.969 32.087 4.849 1.00 23.62 C -ATOM 2145 CG LEU B 90 39.969 31.240 5.687 1.00 26.36 C -ATOM 2146 CD1 LEU B 90 39.694 29.751 5.402 1.00 25.14 C -ATOM 2147 CD2 LEU B 90 41.385 31.519 5.205 1.00 25.83 C -ATOM 2148 N ALA B 91 37.177 34.558 3.986 1.00 20.09 N -ATOM 2149 CA ALA B 91 36.550 35.371 2.881 1.00 20.12 C -ATOM 2150 C ALA B 91 37.050 36.785 2.958 1.00 23.26 C -ATOM 2151 O ALA B 91 37.371 37.455 1.974 1.00 21.35 O -ATOM 2152 CB ALA B 91 35.031 35.335 3.078 1.00 23.44 C -ATOM 2153 N GLY B 92 37.125 37.323 4.202 1.00 21.55 N -ATOM 2154 CA GLY B 92 37.596 38.702 4.360 1.00 20.98 C -ATOM 2155 C GLY B 92 39.001 38.894 3.904 1.00 21.40 C -ATOM 2156 O GLY B 92 39.326 39.943 3.330 1.00 21.32 O -ATOM 2157 N LEU B 93 39.889 37.892 4.115 1.00 20.43 N -ATOM 2158 CA LEU B 93 41.268 38.034 3.699 1.00 21.06 C -ATOM 2159 C LEU B 93 41.454 38.210 2.204 1.00 22.69 C -ATOM 2160 O LEU B 93 42.404 38.850 1.759 1.00 23.05 O -ATOM 2161 CB LEU B 93 42.096 36.772 4.106 1.00 21.37 C -ATOM 2162 CG LEU B 93 42.206 36.559 5.614 1.00 23.25 C -ATOM 2163 CD1 LEU B 93 43.160 35.393 5.900 1.00 24.72 C -ATOM 2164 CD2 LEU B 93 42.741 37.808 6.318 1.00 22.50 C -ATOM 2165 N LYS B 94 40.550 37.655 1.389 1.00 23.78 N -ATOM 2166 CA LYS B 94 40.714 37.823 -0.070 1.00 23.01 C -ATOM 2167 C LYS B 94 40.616 39.280 -0.488 1.00 23.84 C -ATOM 2168 O LYS B 94 41.045 39.631 -1.587 1.00 23.63 O -ATOM 2169 CB LYS B 94 39.589 37.048 -0.770 1.00 20.51 C -ATOM 2170 CG LYS B 94 39.572 35.576 -0.433 1.00 24.14 C -ATOM 2171 CD LYS B 94 38.356 34.885 -1.094 1.00 25.35 C -ATOM 2172 CE LYS B 94 38.442 33.383 -0.776 1.00 27.78 C -ATOM 2173 NZ LYS B 94 37.390 32.634 -1.558 1.00 27.65 N -ATOM 2174 N ALA B 95 40.018 40.124 0.345 1.00 22.12 N -ATOM 2175 CA ALA B 95 39.836 41.532 0.034 1.00 22.47 C -ATOM 2176 C ALA B 95 40.772 42.444 0.781 1.00 25.78 C -ATOM 2177 O ALA B 95 40.593 43.679 0.823 1.00 25.15 O -ATOM 2178 CB ALA B 95 38.369 41.888 0.342 1.00 27.70 C -ATOM 2179 N ALA B 96 41.827 41.883 1.377 1.00 22.98 N -ATOM 2180 CA ALA B 96 42.756 42.713 2.162 1.00 25.63 C -ATOM 2181 C ALA B 96 43.752 43.510 1.363 1.00 29.23 C -ATOM 2182 O ALA B 96 44.603 44.231 1.929 1.00 29.57 O -ATOM 2183 CB ALA B 96 43.448 41.821 3.179 1.00 20.35 C -ATOM 2184 N GLY B 97 43.742 43.361 0.043 1.00 27.81 N -ATOM 2185 CA GLY B 97 44.624 44.181 -0.801 1.00 29.80 C -ATOM 2186 C GLY B 97 46.088 43.873 -0.608 1.00 29.26 C -ATOM 2187 O GLY B 97 46.508 42.727 -0.629 1.00 27.39 O -ATOM 2188 N ASP B 98 46.889 44.918 -0.397 1.00 30.10 N -ATOM 2189 CA ASP B 98 48.326 44.731 -0.223 1.00 30.70 C -ATOM 2190 C ASP B 98 48.755 44.583 1.229 1.00 31.31 C -ATOM 2191 O ASP B 98 49.954 44.464 1.509 1.00 31.40 O -ATOM 2192 CB ASP B 98 49.027 45.997 -0.802 1.00 36.54 C -ATOM 2193 N ALA B 99 47.821 44.567 2.184 1.00 27.17 N -ATOM 2194 CA ALA B 99 48.258 44.449 3.584 1.00 28.81 C -ATOM 2195 C ALA B 99 48.971 43.158 3.888 1.00 28.50 C -ATOM 2196 O ALA B 99 48.534 42.068 3.513 1.00 32.18 O -ATOM 2197 CB ALA B 99 47.039 44.643 4.495 1.00 25.78 C -ATOM 2198 N GLN B 100 50.097 43.223 4.640 1.00 27.56 N -ATOM 2199 CA GLN B 100 50.784 41.979 4.983 1.00 28.01 C -ATOM 2200 C GLN B 100 50.383 41.518 6.403 1.00 25.44 C -ATOM 2201 O GLN B 100 50.646 40.380 6.745 1.00 25.30 O -ATOM 2202 CB GLN B 100 52.291 42.088 4.923 1.00 36.02 C -ATOM 2203 CG GLN B 100 52.824 42.402 3.499 1.00 44.53 C -ATOM 2204 CD GLN B 100 54.330 42.645 3.614 1.00 51.34 C -ATOM 2205 OE1 GLN B 100 55.122 41.713 3.512 1.00 56.53 O -ATOM 2206 NE2 GLN B 100 54.704 43.886 3.891 1.00 53.83 N -ATOM 2207 N TRP B 101 49.764 42.433 7.148 1.00 24.52 N -ATOM 2208 CA TRP B 101 49.283 42.105 8.501 1.00 22.11 C -ATOM 2209 C TRP B 101 47.776 42.361 8.550 1.00 21.20 C -ATOM 2210 O TRP B 101 47.281 43.375 7.992 1.00 21.17 O -ATOM 2211 CB TRP B 101 49.970 42.997 9.548 1.00 24.77 C -ATOM 2212 CG TRP B 101 51.326 42.469 9.942 1.00 27.43 C -ATOM 2213 CD1 TRP B 101 52.478 42.590 9.201 1.00 30.36 C -ATOM 2214 CD2 TRP B 101 51.661 41.735 11.112 1.00 27.18 C -ATOM 2215 NE1 TRP B 101 53.524 41.995 9.873 1.00 32.46 N -ATOM 2216 CE2 TRP B 101 53.049 41.453 11.046 1.00 32.20 C -ATOM 2217 CE3 TRP B 101 50.947 41.295 12.224 1.00 21.70 C -ATOM 2218 CZ2 TRP B 101 53.714 40.743 12.045 1.00 26.32 C -ATOM 2219 CZ3 TRP B 101 51.603 40.593 13.225 1.00 24.95 C -ATOM 2220 CH2 TRP B 101 52.997 40.334 13.126 1.00 27.70 C -ATOM 2221 N VAL B 102 47.039 41.571 9.327 1.00 20.57 N -ATOM 2222 CA VAL B 102 45.582 41.695 9.370 1.00 17.60 C -ATOM 2223 C VAL B 102 45.067 41.662 10.819 1.00 19.39 C -ATOM 2224 O VAL B 102 45.628 40.917 11.618 1.00 19.92 O -ATOM 2225 CB VAL B 102 44.920 40.510 8.616 1.00 25.21 C -ATOM 2226 CG1 VAL B 102 43.402 40.488 8.827 1.00 26.64 C -ATOM 2227 CG2 VAL B 102 45.210 40.651 7.100 1.00 24.08 C -ATOM 2228 N LEU B 103 44.123 42.535 11.116 1.00 18.48 N -ATOM 2229 CA LEU B 103 43.492 42.525 12.464 1.00 19.53 C -ATOM 2230 C LEU B 103 42.129 41.819 12.288 1.00 19.42 C -ATOM 2231 O LEU B 103 41.433 42.137 11.321 1.00 20.49 O -ATOM 2232 CB LEU B 103 43.137 43.956 12.878 1.00 20.77 C -ATOM 2233 CG LEU B 103 44.117 44.986 13.290 1.00 26.36 C -ATOM 2234 CD1 LEU B 103 43.496 46.403 13.269 1.00 24.30 C -ATOM 2235 CD2 LEU B 103 44.666 44.697 14.695 1.00 27.14 C -ATOM 2236 N VAL B 104 41.719 40.988 13.241 1.00 18.00 N -ATOM 2237 CA VAL B 104 40.405 40.338 13.130 1.00 19.37 C -ATOM 2238 C VAL B 104 39.672 40.828 14.397 1.00 19.18 C -ATOM 2239 O VAL B 104 40.253 40.628 15.482 1.00 20.26 O -ATOM 2240 CB VAL B 104 40.468 38.823 13.102 1.00 18.79 C -ATOM 2241 CG1 VAL B 104 39.030 38.273 12.934 1.00 19.19 C -ATOM 2242 CG2 VAL B 104 41.316 38.329 11.919 1.00 16.87 C -ATOM 2243 N HIS B 105 38.563 41.486 14.278 1.00 16.86 N -ATOM 2244 CA HIS B 105 37.942 42.046 15.507 1.00 16.71 C -ATOM 2245 C HIS B 105 36.487 41.621 15.570 1.00 19.03 C -ATOM 2246 O HIS B 105 35.771 41.580 14.583 1.00 19.31 O -ATOM 2247 CB HIS B 105 38.044 43.593 15.445 1.00 17.97 C -ATOM 2248 CG HIS B 105 37.428 44.293 16.627 1.00 19.28 C -ATOM 2249 ND1 HIS B 105 37.883 44.104 17.902 1.00 21.41 N -ATOM 2250 CD2 HIS B 105 36.433 45.211 16.703 1.00 18.95 C -ATOM 2251 CE1 HIS B 105 37.188 44.854 18.760 1.00 21.53 C -ATOM 2252 NE2 HIS B 105 36.290 45.553 18.057 1.00 21.00 N -ATOM 2253 N ASP B 106 36.015 41.399 16.797 1.00 18.42 N -ATOM 2254 CA ASP B 106 34.624 41.017 16.995 1.00 20.95 C -ATOM 2255 C ASP B 106 33.714 42.195 16.673 1.00 20.22 C -ATOM 2256 O ASP B 106 33.822 43.284 17.207 1.00 21.56 O -ATOM 2257 CB ASP B 106 34.376 40.659 18.479 1.00 22.46 C -ATOM 2258 CG ASP B 106 34.861 39.286 18.856 1.00 29.01 C -ATOM 2259 OD1 ASP B 106 35.037 39.035 20.085 1.00 28.50 O -ATOM 2260 OD2 ASP B 106 35.081 38.432 17.975 1.00 25.20 O -ATOM 2261 N ALA B 107 32.673 41.898 15.882 1.00 23.16 N -ATOM 2262 CA ALA B 107 31.687 42.937 15.584 1.00 23.95 C -ATOM 2263 C ALA B 107 31.027 43.421 16.876 1.00 22.82 C -ATOM 2264 O ALA B 107 30.639 44.612 16.907 1.00 24.55 O -ATOM 2265 CB ALA B 107 30.594 42.326 14.677 1.00 22.27 C -ATOM 2266 N ALA B 108 30.915 42.618 17.911 1.00 22.03 N -ATOM 2267 CA ALA B 108 30.250 43.057 19.165 1.00 23.38 C -ATOM 2268 C ALA B 108 31.169 43.482 20.279 1.00 23.72 C -ATOM 2269 O ALA B 108 30.869 43.390 21.486 1.00 22.23 O -ATOM 2270 CB ALA B 108 29.263 41.985 19.614 1.00 22.91 C -ATOM 2271 N ARG B 109 32.337 44.077 19.917 1.00 19.93 N -ATOM 2272 CA ARG B 109 33.281 44.639 20.889 1.00 19.41 C -ATOM 2273 C ARG B 109 33.433 46.110 20.533 1.00 21.97 C -ATOM 2274 O ARG B 109 34.440 46.572 19.971 1.00 21.00 O -ATOM 2275 CB ARG B 109 34.602 43.909 20.983 1.00 18.06 C -ATOM 2276 CG ARG B 109 34.607 42.662 21.862 1.00 21.56 C -ATOM 2277 CD ARG B 109 35.979 41.948 21.875 1.00 19.46 C -ATOM 2278 NE ARG B 109 35.899 40.582 22.374 1.00 21.58 N -ATOM 2279 CZ ARG B 109 35.875 40.173 23.623 1.00 23.52 C -ATOM 2280 NH1 ARG B 109 35.910 41.016 24.668 1.00 21.20 N -ATOM 2281 NH2 ARG B 109 35.793 38.882 23.913 1.00 25.29 N -ATOM 2282 N PRO B 110 32.450 46.935 20.954 1.00 19.53 N -ATOM 2283 CA PRO B 110 32.436 48.331 20.555 1.00 20.36 C -ATOM 2284 C PRO B 110 33.195 49.268 21.431 1.00 19.42 C -ATOM 2285 O PRO B 110 33.280 50.470 21.083 1.00 22.73 O -ATOM 2286 CB PRO B 110 30.898 48.662 20.636 1.00 18.81 C -ATOM 2287 CG PRO B 110 30.548 47.900 21.903 1.00 21.52 C -ATOM 2288 CD PRO B 110 31.218 46.540 21.661 1.00 20.90 C -ATOM 2289 N CYS B 111 33.793 48.810 22.519 1.00 19.38 N -ATOM 2290 CA CYS B 111 34.473 49.632 23.469 1.00 17.41 C -ATOM 2291 C CYS B 111 36.015 49.579 23.329 1.00 21.46 C -ATOM 2292 O CYS B 111 36.671 50.264 24.136 1.00 23.00 O -ATOM 2293 CB CYS B 111 34.119 49.301 24.919 1.00 22.12 C -ATOM 2294 SG CYS B 111 32.351 49.250 25.244 1.00 21.74 S -ATOM 2295 N LEU B 112 36.494 49.062 22.230 1.00 20.58 N -ATOM 2296 CA LEU B 112 37.921 48.970 21.956 1.00 22.32 C -ATOM 2297 C LEU B 112 38.533 50.382 22.011 1.00 24.58 C -ATOM 2298 O LEU B 112 38.052 51.257 21.284 1.00 23.86 O -ATOM 2299 CB LEU B 112 38.167 48.420 20.537 1.00 21.26 C -ATOM 2300 CG LEU B 112 39.613 48.481 20.007 1.00 20.56 C -ATOM 2301 CD1 LEU B 112 40.535 47.699 20.928 1.00 19.95 C -ATOM 2302 CD2 LEU B 112 39.633 47.913 18.588 1.00 22.85 C -ATOM 2303 N HIS B 113 39.573 50.525 22.791 1.00 22.20 N -ATOM 2304 CA HIS B 113 40.254 51.814 22.945 1.00 22.91 C -ATOM 2305 C HIS B 113 41.455 51.899 22.010 1.00 22.32 C -ATOM 2306 O HIS B 113 42.178 50.955 21.804 1.00 21.03 O -ATOM 2307 CB HIS B 113 40.714 51.929 24.423 1.00 24.47 C -ATOM 2308 CG HIS B 113 41.170 53.313 24.757 1.00 30.40 C -ATOM 2309 ND1 HIS B 113 40.408 54.244 25.408 1.00 37.69 N -ATOM 2310 CD2 HIS B 113 42.323 53.936 24.426 1.00 26.82 C -ATOM 2311 CE1 HIS B 113 41.080 55.400 25.517 1.00 29.47 C -ATOM 2312 NE2 HIS B 113 42.265 55.217 24.916 1.00 34.38 N -ATOM 2313 N GLN B 114 41.705 53.131 21.504 1.00 21.91 N -ATOM 2314 CA GLN B 114 42.793 53.382 20.587 1.00 22.59 C -ATOM 2315 C GLN B 114 44.156 53.049 21.163 1.00 24.16 C -ATOM 2316 O GLN B 114 45.028 52.587 20.438 1.00 23.72 O -ATOM 2317 CB GLN B 114 42.704 54.847 20.072 1.00 20.94 C -ATOM 2318 CG GLN B 114 42.873 55.945 21.082 1.00 22.92 C -ATOM 2319 CD GLN B 114 41.602 56.388 21.787 1.00 28.73 C -ATOM 2320 OE1 GLN B 114 40.629 55.628 21.871 1.00 27.21 O -ATOM 2321 NE2 GLN B 114 41.543 57.649 22.269 1.00 27.79 N -ATOM 2322 N ASP B 115 44.337 53.241 22.472 1.00 22.57 N -ATOM 2323 CA ASP B 115 45.579 52.940 23.156 1.00 25.11 C -ATOM 2324 C ASP B 115 45.912 51.450 23.020 1.00 22.18 C -ATOM 2325 O ASP B 115 47.052 51.110 22.772 1.00 24.43 O -ATOM 2326 CB ASP B 115 45.504 53.228 24.657 1.00 28.47 C -ATOM 2327 CG ASP B 115 45.428 54.685 24.977 1.00 32.39 C -ATOM 2328 OD1 ASP B 115 45.241 55.014 26.162 1.00 33.51 O -ATOM 2329 OD2 ASP B 115 45.538 55.510 24.030 1.00 33.05 O -ATOM 2330 N ASP B 116 44.901 50.617 23.277 1.00 21.69 N -ATOM 2331 CA ASP B 116 45.093 49.160 23.164 1.00 20.88 C -ATOM 2332 C ASP B 116 45.389 48.767 21.716 1.00 20.64 C -ATOM 2333 O ASP B 116 46.294 47.991 21.388 1.00 18.58 O -ATOM 2334 CB ASP B 116 43.818 48.469 23.647 1.00 22.97 C -ATOM 2335 CG ASP B 116 43.631 48.542 25.165 1.00 24.27 C -ATOM 2336 OD1 ASP B 116 44.550 48.937 25.893 1.00 24.69 O -ATOM 2337 OD2 ASP B 116 42.567 48.067 25.626 1.00 26.10 O -ATOM 2338 N LEU B 117 44.618 49.323 20.781 1.00 20.74 N -ATOM 2339 CA LEU B 117 44.857 49.029 19.350 1.00 19.69 C -ATOM 2340 C LEU B 117 46.249 49.413 18.929 1.00 21.64 C -ATOM 2341 O LEU B 117 46.951 48.678 18.215 1.00 20.77 O -ATOM 2342 CB LEU B 117 43.794 49.824 18.556 1.00 20.07 C -ATOM 2343 CG LEU B 117 43.882 49.760 17.038 1.00 21.73 C -ATOM 2344 CD1 LEU B 117 43.741 48.312 16.571 1.00 22.57 C -ATOM 2345 CD2 LEU B 117 42.802 50.615 16.402 1.00 22.35 C -ATOM 2346 N ALA B 118 46.742 50.580 19.388 1.00 21.45 N -ATOM 2347 CA ALA B 118 48.090 51.007 19.008 1.00 22.66 C -ATOM 2348 C ALA B 118 49.172 50.094 19.567 1.00 21.60 C -ATOM 2349 O ALA B 118 50.093 49.717 18.836 1.00 22.27 O -ATOM 2350 CB ALA B 118 48.320 52.470 19.436 1.00 22.86 C -ATOM 2351 N ARG B 119 49.021 49.636 20.815 1.00 24.24 N -ATOM 2352 CA ARG B 119 49.940 48.733 21.479 1.00 25.37 C -ATOM 2353 C ARG B 119 49.972 47.394 20.740 1.00 25.27 C -ATOM 2354 O ARG B 119 51.010 46.793 20.486 1.00 24.74 O -ATOM 2355 CB ARG B 119 49.543 48.503 22.952 1.00 26.20 C -ATOM 2356 CG ARG B 119 50.576 47.850 23.834 1.00 31.67 C -ATOM 2357 CD ARG B 119 50.158 47.832 25.326 1.00 39.11 C -ATOM 2358 NE ARG B 119 49.554 49.099 25.715 1.00 38.29 N -ATOM 2359 CZ ARG B 119 48.291 49.259 26.089 1.00 41.08 C -ATOM 2360 NH1 ARG B 119 47.843 50.486 26.376 1.00 38.73 N -ATOM 2361 NH2 ARG B 119 47.461 48.220 26.182 1.00 34.57 N -ATOM 2362 N LEU B 120 48.774 46.919 20.330 1.00 20.77 N -ATOM 2363 CA LEU B 120 48.746 45.670 19.568 1.00 21.93 C -ATOM 2364 C LEU B 120 49.388 45.813 18.193 1.00 21.01 C -ATOM 2365 O LEU B 120 50.198 44.983 17.754 1.00 21.98 O -ATOM 2366 CB LEU B 120 47.283 45.250 19.359 1.00 19.22 C -ATOM 2367 CG LEU B 120 47.099 43.935 18.595 1.00 21.27 C -ATOM 2368 CD1 LEU B 120 47.590 42.749 19.410 1.00 22.90 C -ATOM 2369 CD2 LEU B 120 45.618 43.786 18.224 1.00 19.60 C -ATOM 2370 N LEU B 121 49.124 46.944 17.516 1.00 22.19 N -ATOM 2371 CA LEU B 121 49.690 47.149 16.178 1.00 23.85 C -ATOM 2372 C LEU B 121 51.211 47.244 16.221 1.00 26.68 C -ATOM 2373 O LEU B 121 51.875 46.823 15.271 1.00 24.62 O -ATOM 2374 CB LEU B 121 49.129 48.433 15.529 1.00 24.59 C -ATOM 2375 CG LEU B 121 47.750 48.314 14.917 1.00 29.62 C -ATOM 2376 CD1 LEU B 121 47.389 49.576 14.122 1.00 26.84 C -ATOM 2377 CD2 LEU B 121 47.633 47.091 14.028 1.00 26.45 C -ATOM 2378 N ALA B 122 51.758 47.615 17.373 1.00 29.55 N -ATOM 2379 CA ALA B 122 53.214 47.672 17.546 1.00 32.91 C -ATOM 2380 C ALA B 122 53.847 46.299 17.395 1.00 34.32 C -ATOM 2381 O ALA B 122 55.052 46.205 17.100 1.00 34.18 O -ATOM 2382 CB ALA B 122 53.559 48.268 18.899 1.00 34.83 C -ATOM 2383 N LEU B 123 53.098 45.197 17.541 1.00 32.76 N -ATOM 2384 CA LEU B 123 53.637 43.872 17.343 1.00 34.32 C -ATOM 2385 C LEU B 123 54.200 43.598 15.956 1.00 35.80 C -ATOM 2386 O LEU B 123 55.010 42.644 15.818 1.00 38.23 O -ATOM 2387 CB LEU B 123 52.599 42.785 17.645 1.00 33.93 C -ATOM 2388 CG LEU B 123 52.189 42.511 19.067 1.00 38.07 C -ATOM 2389 CD1 LEU B 123 51.110 41.432 19.149 1.00 36.44 C -ATOM 2390 CD2 LEU B 123 53.382 42.057 19.923 1.00 39.23 C -ATOM 2391 N SER B 124 53.754 44.230 14.896 1.00 36.98 N -ATOM 2392 CA SER B 124 54.245 43.974 13.547 1.00 40.64 C -ATOM 2393 C SER B 124 55.666 44.504 13.339 1.00 44.43 C -ATOM 2394 O SER B 124 56.334 44.142 12.368 1.00 46.79 O -ATOM 2395 CB SER B 124 53.344 44.558 12.488 1.00 39.45 C -ATOM 2396 OG SER B 124 53.319 45.976 12.512 1.00 35.90 O -ATOM 2397 N GLU B 125 56.084 45.426 14.198 1.00 46.75 N -ATOM 2398 CA GLU B 125 57.433 45.986 14.097 1.00 48.82 C -ATOM 2399 C GLU B 125 58.445 44.975 14.654 1.00 49.44 C -ATOM 2400 O GLU B 125 59.541 44.837 14.103 1.00 51.68 O -ATOM 2401 CB GLU B 125 57.530 47.282 14.916 1.00 43.90 C -ATOM 2402 N THR B 126 58.001 44.148 15.580 1.00 49.47 N -ATOM 2403 CA THR B 126 58.806 43.195 16.266 1.00 50.12 C -ATOM 2404 C THR B 126 58.546 41.722 16.170 1.00 49.96 C -ATOM 2405 O THR B 126 59.545 40.967 16.327 1.00 53.44 O -ATOM 2406 CB THR B 126 58.742 43.516 17.816 1.00 52.22 C -ATOM 2407 OG1 THR B 126 58.940 42.283 18.522 1.00 54.42 O -ATOM 2408 CG2 THR B 126 57.382 44.075 18.162 1.00 51.98 C -ATOM 2409 N SER B 127 57.333 41.224 16.063 1.00 47.71 N -ATOM 2410 CA SER B 127 57.050 39.797 16.108 1.00 43.50 C -ATOM 2411 C SER B 127 56.806 39.145 14.767 1.00 41.94 C -ATOM 2412 O SER B 127 56.682 39.847 13.763 1.00 38.83 O -ATOM 2413 CB SER B 127 55.856 39.564 17.051 1.00 47.84 C -ATOM 2414 OG SER B 127 55.239 38.301 16.847 1.00 51.90 O -ATOM 2415 N ARG B 128 56.861 37.800 14.743 1.00 38.70 N -ATOM 2416 CA ARG B 128 56.620 37.082 13.503 1.00 38.09 C -ATOM 2417 C ARG B 128 55.299 36.328 13.537 1.00 37.23 C -ATOM 2418 O ARG B 128 54.844 35.797 12.522 1.00 37.97 O -ATOM 2419 CB ARG B 128 57.720 36.035 13.216 1.00 36.62 C -ATOM 2420 CG ARG B 128 59.116 36.631 13.118 1.00 41.53 C -ATOM 2421 N THR B 129 54.734 36.142 14.743 1.00 34.68 N -ATOM 2422 CA THR B 129 53.519 35.333 14.815 1.00 33.69 C -ATOM 2423 C THR B 129 52.306 36.144 15.255 1.00 32.74 C -ATOM 2424 O THR B 129 51.189 35.609 15.107 1.00 36.90 O -ATOM 2425 CB THR B 129 53.688 34.078 15.660 1.00 39.19 C -ATOM 2426 OG1 THR B 129 54.143 34.420 16.967 1.00 38.58 O -ATOM 2427 CG2 THR B 129 54.692 33.118 15.026 1.00 40.77 C -ATOM 2428 N GLY B 130 52.492 37.358 15.669 1.00 29.78 N -ATOM 2429 CA GLY B 130 51.396 38.243 16.052 1.00 29.69 C -ATOM 2430 C GLY B 130 50.955 37.971 17.499 1.00 30.39 C -ATOM 2431 O GLY B 130 51.664 37.366 18.300 1.00 27.59 O -ATOM 2432 N GLY B 131 49.759 38.437 17.795 1.00 25.90 N -ATOM 2433 CA GLY B 131 49.249 38.323 19.172 1.00 24.28 C -ATOM 2434 C GLY B 131 47.867 38.941 19.243 1.00 24.03 C -ATOM 2435 O GLY B 131 47.272 39.328 18.253 1.00 20.46 O -ATOM 2436 N ILE B 132 47.316 38.875 20.466 1.00 22.37 N -ATOM 2437 CA ILE B 132 45.978 39.353 20.719 1.00 21.03 C -ATOM 2438 C ILE B 132 45.893 40.271 21.934 1.00 22.78 C -ATOM 2439 O ILE B 132 46.779 40.306 22.786 1.00 21.64 O -ATOM 2440 CB ILE B 132 45.072 38.118 20.972 1.00 21.10 C -ATOM 2441 CG1 ILE B 132 45.436 37.485 22.340 1.00 19.83 C -ATOM 2442 CG2 ILE B 132 45.239 37.040 19.894 1.00 18.41 C -ATOM 2443 CD1 ILE B 132 44.370 36.532 22.885 1.00 21.09 C -ATOM 2444 N LEU B 133 44.859 41.141 21.949 1.00 20.58 N -ATOM 2445 CA LEU B 133 44.615 41.879 23.190 1.00 21.19 C -ATOM 2446 C LEU B 133 44.103 40.836 24.215 1.00 20.88 C -ATOM 2447 O LEU B 133 43.310 39.935 23.832 1.00 19.72 O -ATOM 2448 CB LEU B 133 43.510 42.900 23.012 1.00 20.29 C -ATOM 2449 CG LEU B 133 43.883 44.357 22.855 1.00 29.94 C -ATOM 2450 CD1 LEU B 133 45.340 44.682 22.666 1.00 27.49 C -ATOM 2451 CD2 LEU B 133 42.952 45.091 21.954 1.00 18.26 C -ATOM 2452 N ALA B 134 44.408 41.050 25.463 1.00 19.86 N -ATOM 2453 CA ALA B 134 43.948 40.065 26.489 1.00 18.62 C -ATOM 2454 C ALA B 134 43.924 40.731 27.857 1.00 21.21 C -ATOM 2455 O ALA B 134 44.597 41.716 28.064 1.00 20.04 O -ATOM 2456 CB ALA B 134 44.865 38.858 26.473 1.00 21.77 C -ATOM 2457 N ALA B 135 43.109 40.143 28.750 1.00 22.32 N -ATOM 2458 CA ALA B 135 43.019 40.738 30.096 1.00 24.00 C -ATOM 2459 C ALA B 135 43.214 39.607 31.137 1.00 24.57 C -ATOM 2460 O ALA B 135 42.614 38.563 31.019 1.00 23.26 O -ATOM 2461 CB ALA B 135 41.658 41.355 30.305 1.00 25.40 C -ATOM 2462 N PRO B 136 44.150 39.834 32.037 1.00 25.86 N -ATOM 2463 CA PRO B 136 44.444 38.866 33.089 1.00 26.54 C -ATOM 2464 C PRO B 136 43.230 38.621 33.971 1.00 25.62 C -ATOM 2465 O PRO B 136 42.478 39.535 34.280 1.00 25.32 O -ATOM 2466 CB PRO B 136 45.566 39.504 33.901 1.00 27.15 C -ATOM 2467 CG PRO B 136 46.060 40.640 33.089 1.00 32.58 C -ATOM 2468 CD PRO B 136 44.928 41.086 32.191 1.00 27.18 C -ATOM 2469 N VAL B 137 43.080 37.377 34.435 1.00 24.49 N -ATOM 2470 CA VAL B 137 42.001 37.048 35.371 1.00 24.62 C -ATOM 2471 C VAL B 137 42.317 37.667 36.750 1.00 27.58 C -ATOM 2472 O VAL B 137 43.384 37.377 37.288 1.00 29.71 O -ATOM 2473 CB VAL B 137 41.856 35.530 35.500 1.00 24.75 C -ATOM 2474 CG1 VAL B 137 40.884 35.166 36.601 1.00 25.87 C -ATOM 2475 CG2 VAL B 137 41.344 34.994 34.151 1.00 25.57 C -ATOM 2476 N ARG B 138 41.426 38.489 37.245 1.00 28.14 N -ATOM 2477 CA ARG B 138 41.640 39.189 38.520 1.00 29.80 C -ATOM 2478 C ARG B 138 40.710 38.665 39.607 1.00 30.99 C -ATOM 2479 O ARG B 138 40.840 39.088 40.782 1.00 30.33 O -ATOM 2480 CB ARG B 138 41.423 40.690 38.369 1.00 31.90 C -ATOM 2481 CG ARG B 138 42.462 41.438 37.544 1.00 41.27 C -ATOM 2482 CD ARG B 138 43.817 40.807 37.633 1.00 46.03 C -ATOM 2483 NE ARG B 138 44.969 41.662 37.441 1.00 48.42 N -ATOM 2484 CZ ARG B 138 46.215 41.151 37.473 1.00 53.41 C -ATOM 2485 NH1 ARG B 138 46.405 39.852 37.686 1.00 52.60 N -ATOM 2486 NH2 ARG B 138 47.247 41.956 37.274 1.00 54.95 N -ATOM 2487 N ASP B 139 39.779 37.818 39.221 1.00 28.42 N -ATOM 2488 CA ASP B 139 38.824 37.257 40.181 1.00 28.19 C -ATOM 2489 C ASP B 139 39.132 35.784 40.384 1.00 28.48 C -ATOM 2490 O ASP B 139 40.288 35.385 40.229 1.00 30.33 O -ATOM 2491 CB ASP B 139 37.405 37.510 39.736 1.00 29.26 C -ATOM 2492 CG ASP B 139 37.067 36.903 38.373 1.00 32.13 C -ATOM 2493 OD1 ASP B 139 35.861 36.759 38.123 1.00 28.06 O -ATOM 2494 OD2 ASP B 139 37.966 36.571 37.571 1.00 29.65 O -ATOM 2495 N THR B 140 38.158 35.004 40.812 1.00 26.28 N -ATOM 2496 CA THR B 140 38.412 33.582 41.091 1.00 27.79 C -ATOM 2497 C THR B 140 37.457 32.777 40.202 1.00 25.38 C -ATOM 2498 O THR B 140 36.347 33.263 39.908 1.00 28.04 O -ATOM 2499 CB THR B 140 38.097 33.230 42.554 1.00 27.40 C -ATOM 2500 OG1 THR B 140 36.746 33.624 42.792 1.00 34.13 O -ATOM 2501 CG2 THR B 140 39.007 33.999 43.499 1.00 29.73 C -ATOM 2502 N MET B 141 37.981 31.675 39.702 1.00 22.41 N -ATOM 2503 CA MET B 141 37.152 30.900 38.764 1.00 22.52 C -ATOM 2504 C MET B 141 36.969 29.473 39.268 1.00 21.34 C -ATOM 2505 O MET B 141 37.794 28.948 39.976 1.00 24.40 O -ATOM 2506 CB MET B 141 37.844 30.873 37.382 1.00 21.13 C -ATOM 2507 CG MET B 141 37.572 32.261 36.718 1.00 26.28 C -ATOM 2508 SD MET B 141 38.019 32.277 35.010 1.00 27.78 S -ATOM 2509 CE MET B 141 37.650 34.044 34.656 1.00 26.50 C -ATOM 2510 N LYS B 142 35.824 28.899 38.913 1.00 22.05 N -ATOM 2511 CA LYS B 142 35.485 27.546 39.279 1.00 21.78 C -ATOM 2512 C LYS B 142 35.200 26.709 38.035 1.00 23.22 C -ATOM 2513 O LYS B 142 34.617 27.208 37.058 1.00 22.47 O -ATOM 2514 CB LYS B 142 34.198 27.537 40.158 1.00 20.52 C -ATOM 2515 CG LYS B 142 34.300 28.459 41.381 1.00 17.32 C -ATOM 2516 CD LYS B 142 35.386 28.000 42.369 1.00 23.68 C -ATOM 2517 CE LYS B 142 35.283 28.816 43.656 1.00 23.20 C -ATOM 2518 NZ LYS B 142 36.103 28.220 44.796 1.00 20.49 N -ATOM 2519 N ARG B 143 35.590 25.456 38.048 1.00 21.39 N -ATOM 2520 CA ARG B 143 35.280 24.548 36.939 1.00 23.34 C -ATOM 2521 C ARG B 143 34.119 23.647 37.405 1.00 23.22 C -ATOM 2522 O ARG B 143 34.231 23.038 38.470 1.00 23.38 O -ATOM 2523 CB ARG B 143 36.491 23.698 36.589 1.00 23.58 C -ATOM 2524 CG ARG B 143 36.174 22.510 35.691 1.00 28.86 C -ATOM 2525 CD ARG B 143 35.720 22.979 34.335 1.00 32.94 C -ATOM 2526 NE ARG B 143 36.570 23.720 33.523 1.00 38.55 N -ATOM 2527 CZ ARG B 143 37.812 23.975 33.385 1.00 34.57 C -ATOM 2528 NH1 ARG B 143 38.285 24.764 32.391 1.00 26.84 N -ATOM 2529 NH2 ARG B 143 38.648 23.463 34.306 1.00 45.84 N -ATOM 2530 N ALA B 144 33.038 23.602 36.653 1.00 23.35 N -ATOM 2531 CA ALA B 144 31.892 22.792 37.028 1.00 25.29 C -ATOM 2532 C ALA B 144 32.080 21.311 36.706 1.00 28.39 C -ATOM 2533 O ALA B 144 32.859 20.982 35.800 1.00 26.94 O -ATOM 2534 CB ALA B 144 30.667 23.292 36.225 1.00 25.95 C -ATOM 2535 N GLU B 145 31.390 20.447 37.427 1.00 25.53 N -ATOM 2536 CA GLU B 145 31.465 18.998 37.077 1.00 27.98 C -ATOM 2537 C GLU B 145 30.826 18.893 35.697 1.00 29.83 C -ATOM 2538 O GLU B 145 29.859 19.599 35.389 1.00 30.21 O -ATOM 2539 CB GLU B 145 30.642 18.198 38.099 1.00 32.49 C -ATOM 2540 CG GLU B 145 31.179 18.239 39.504 1.00 36.74 C -ATOM 2541 CD GLU B 145 30.302 17.552 40.534 1.00 41.65 C -ATOM 2542 OE1 GLU B 145 30.844 17.096 41.549 1.00 43.78 O -ATOM 2543 OE2 GLU B 145 29.069 17.462 40.322 1.00 45.26 O -ATOM 2544 N PRO B 146 31.267 17.971 34.850 1.00 32.75 N -ATOM 2545 CA PRO B 146 30.721 17.840 33.512 1.00 33.99 C -ATOM 2546 C PRO B 146 29.227 17.646 33.470 1.00 33.55 C -ATOM 2547 O PRO B 146 28.679 16.804 34.195 1.00 36.74 O -ATOM 2548 CB PRO B 146 31.452 16.599 32.955 1.00 35.23 C -ATOM 2549 CG PRO B 146 32.751 16.616 33.685 1.00 36.00 C -ATOM 2550 CD PRO B 146 32.369 17.016 35.119 1.00 33.60 C -ATOM 2551 N GLY B 147 28.514 18.525 32.778 1.00 34.30 N -ATOM 2552 CA GLY B 147 27.083 18.468 32.619 1.00 36.56 C -ATOM 2553 C GLY B 147 26.249 18.680 33.865 1.00 37.52 C -ATOM 2554 O GLY B 147 25.035 18.389 33.853 1.00 37.91 O -ATOM 2555 N LYS B 148 26.814 19.311 34.884 1.00 33.80 N -ATOM 2556 CA LYS B 148 26.112 19.563 36.156 1.00 32.76 C -ATOM 2557 C LYS B 148 26.475 20.971 36.645 1.00 31.37 C -ATOM 2558 O LYS B 148 27.585 21.414 36.330 1.00 32.86 O -ATOM 2559 CB LYS B 148 26.622 18.525 37.160 1.00 34.18 C -ATOM 2560 N ASN B 149 25.604 21.680 37.342 1.00 30.54 N -ATOM 2561 CA ASN B 149 25.973 23.013 37.828 1.00 30.52 C -ATOM 2562 C ASN B 149 26.425 22.920 39.310 1.00 31.02 C -ATOM 2563 O ASN B 149 25.759 23.437 40.202 1.00 28.76 O -ATOM 2564 CB ASN B 149 24.919 24.075 37.704 1.00 36.56 C -ATOM 2565 CG ASN B 149 24.525 24.336 36.253 1.00 38.57 C -ATOM 2566 OD1 ASN B 149 25.397 24.658 35.442 1.00 37.29 O -ATOM 2567 ND2 ASN B 149 23.244 24.164 35.979 1.00 40.85 N -ATOM 2568 N ALA B 150 27.416 22.102 39.511 1.00 28.82 N -ATOM 2569 CA ALA B 150 28.063 21.883 40.793 1.00 28.35 C -ATOM 2570 C ALA B 150 29.570 22.067 40.529 1.00 26.54 C -ATOM 2571 O ALA B 150 30.081 21.786 39.437 1.00 26.67 O -ATOM 2572 CB ALA B 150 27.795 20.565 41.435 1.00 27.37 C -ATOM 2573 N ILE B 151 30.236 22.626 41.505 1.00 23.20 N -ATOM 2574 CA ILE B 151 31.668 22.879 41.381 1.00 23.88 C -ATOM 2575 C ILE B 151 32.503 21.613 41.450 1.00 24.47 C -ATOM 2576 O ILE B 151 32.441 20.868 42.459 1.00 23.98 O -ATOM 2577 CB ILE B 151 32.114 23.823 42.538 1.00 21.18 C -ATOM 2578 CG1 ILE B 151 31.448 25.206 42.275 1.00 22.68 C -ATOM 2579 CG2 ILE B 151 33.622 23.999 42.551 1.00 24.76 C -ATOM 2580 CD1 ILE B 151 31.810 26.216 43.381 1.00 27.05 C -ATOM 2581 N ALA B 152 33.353 21.438 40.449 1.00 22.62 N -ATOM 2582 CA ALA B 152 34.347 20.356 40.469 1.00 25.52 C -ATOM 2583 C ALA B 152 35.562 20.819 41.243 1.00 26.40 C -ATOM 2584 O ALA B 152 35.898 20.268 42.306 1.00 26.92 O -ATOM 2585 CB ALA B 152 34.728 19.927 39.066 1.00 27.39 C -ATOM 2586 N HIS B 153 36.191 21.933 40.828 1.00 24.18 N -ATOM 2587 CA HIS B 153 37.341 22.465 41.509 1.00 24.92 C -ATOM 2588 C HIS B 153 37.599 23.943 41.165 1.00 25.22 C -ATOM 2589 O HIS B 153 37.028 24.438 40.206 1.00 24.65 O -ATOM 2590 CB HIS B 153 38.636 21.709 41.128 1.00 28.82 C -ATOM 2591 CG HIS B 153 38.762 21.484 39.640 1.00 27.86 C -ATOM 2592 ND1 HIS B 153 39.280 22.430 38.805 1.00 33.45 N -ATOM 2593 CD2 HIS B 153 38.496 20.378 38.889 1.00 24.30 C -ATOM 2594 CE1 HIS B 153 39.300 21.960 37.554 1.00 27.60 C -ATOM 2595 NE2 HIS B 153 38.801 20.730 37.569 1.00 28.52 N -ATOM 2596 N THR B 154 38.507 24.529 41.915 1.00 24.16 N -ATOM 2597 CA THR B 154 38.949 25.903 41.650 1.00 26.18 C -ATOM 2598 C THR B 154 39.965 25.856 40.508 1.00 27.33 C -ATOM 2599 O THR B 154 40.768 24.914 40.409 1.00 29.03 O -ATOM 2600 CB THR B 154 39.531 26.566 42.886 1.00 30.22 C -ATOM 2601 OG1 THR B 154 38.471 26.610 43.876 1.00 27.73 O -ATOM 2602 CG2 THR B 154 39.984 28.014 42.656 1.00 27.11 C -ATOM 2603 N VAL B 155 39.869 26.833 39.613 1.00 23.78 N -ATOM 2604 CA VAL B 155 40.854 26.856 38.499 1.00 27.06 C -ATOM 2605 C VAL B 155 41.972 27.815 38.903 1.00 26.51 C -ATOM 2606 O VAL B 155 41.687 28.943 39.270 1.00 31.59 O -ATOM 2607 CB VAL B 155 40.199 27.310 37.194 1.00 25.94 C -ATOM 2608 CG1 VAL B 155 41.289 27.505 36.098 1.00 27.28 C -ATOM 2609 CG2 VAL B 155 39.173 26.292 36.703 1.00 28.31 C -ATOM 2610 N ASP B 156 43.225 27.388 38.755 1.00 28.98 N -ATOM 2611 CA ASP B 156 44.350 28.274 39.093 1.00 28.70 C -ATOM 2612 C ASP B 156 44.281 29.521 38.198 1.00 29.19 C -ATOM 2613 O ASP B 156 44.360 29.335 36.963 1.00 29.80 O -ATOM 2614 CB ASP B 156 45.652 27.523 38.750 1.00 34.59 C -ATOM 2615 CG ASP B 156 46.899 28.303 39.093 1.00 37.07 C -ATOM 2616 OD1 ASP B 156 46.840 29.473 39.512 1.00 33.65 O -ATOM 2617 OD2 ASP B 156 47.998 27.710 38.942 1.00 46.11 O -ATOM 2618 N ARG B 157 44.309 30.710 38.746 1.00 28.75 N -ATOM 2619 CA ARG B 157 44.231 31.912 37.908 1.00 28.83 C -ATOM 2620 C ARG B 157 45.585 32.465 37.519 1.00 30.40 C -ATOM 2621 O ARG B 157 45.670 33.372 36.664 1.00 28.47 O -ATOM 2622 CB ARG B 157 43.366 32.983 38.536 1.00 32.91 C -ATOM 2623 CG ARG B 157 44.060 33.752 39.632 1.00 37.57 C -ATOM 2624 CD ARG B 157 43.086 34.632 40.404 1.00 41.65 C -ATOM 2625 NE ARG B 157 43.753 35.141 41.599 1.00 44.54 N -ATOM 2626 CZ ARG B 157 43.393 36.187 42.309 1.00 46.87 C -ATOM 2627 NH1 ARG B 157 42.336 36.906 41.966 1.00 50.63 N -ATOM 2628 NH2 ARG B 157 44.089 36.522 43.397 1.00 44.20 N -ATOM 2629 N ASN B 158 46.678 31.916 38.061 1.00 30.73 N -ATOM 2630 CA ASN B 158 48.008 32.410 37.662 1.00 31.35 C -ATOM 2631 C ASN B 158 48.283 32.114 36.181 1.00 28.35 C -ATOM 2632 O ASN B 158 48.193 30.985 35.715 1.00 26.63 O -ATOM 2633 CB ASN B 158 49.074 31.773 38.553 1.00 38.59 C -ATOM 2634 CG ASN B 158 49.048 32.325 39.965 1.00 46.40 C -ATOM 2635 OD1 ASN B 158 48.314 33.268 40.289 1.00 47.02 O -ATOM 2636 ND2 ASN B 158 49.839 31.723 40.859 1.00 49.25 N -ATOM 2637 N GLY B 159 48.650 33.149 35.434 1.00 28.38 N -ATOM 2638 CA GLY B 159 48.880 33.068 34.006 1.00 25.95 C -ATOM 2639 C GLY B 159 47.613 32.805 33.197 1.00 23.80 C -ATOM 2640 O GLY B 159 47.727 32.369 32.019 1.00 22.86 O -ATOM 2641 N LEU B 160 46.444 33.028 33.737 1.00 23.79 N -ATOM 2642 CA LEU B 160 45.162 32.803 33.023 1.00 23.89 C -ATOM 2643 C LEU B 160 44.669 34.156 32.523 1.00 22.86 C -ATOM 2644 O LEU B 160 44.637 35.174 33.251 1.00 22.79 O -ATOM 2645 CB LEU B 160 44.091 32.183 33.929 1.00 26.52 C -ATOM 2646 CG LEU B 160 42.796 31.708 33.218 1.00 24.73 C -ATOM 2647 CD1 LEU B 160 43.048 30.613 32.191 1.00 23.34 C -ATOM 2648 CD2 LEU B 160 41.784 31.208 34.275 1.00 24.32 C -ATOM 2649 N TRP B 161 44.348 34.205 31.215 1.00 24.31 N -ATOM 2650 CA TRP B 161 43.922 35.442 30.593 1.00 20.27 C -ATOM 2651 C TRP B 161 42.648 35.336 29.757 1.00 19.76 C -ATOM 2652 O TRP B 161 42.374 34.288 29.164 1.00 21.60 O -ATOM 2653 CB TRP B 161 45.012 35.822 29.530 1.00 24.41 C -ATOM 2654 CG TRP B 161 46.326 36.203 30.141 1.00 24.32 C -ATOM 2655 CD1 TRP B 161 47.254 35.397 30.693 1.00 23.74 C -ATOM 2656 CD2 TRP B 161 46.871 37.528 30.159 1.00 26.29 C -ATOM 2657 NE1 TRP B 161 48.342 36.139 31.124 1.00 24.50 N -ATOM 2658 CE2 TRP B 161 48.137 37.448 30.771 1.00 28.53 C -ATOM 2659 CE3 TRP B 161 46.425 38.766 29.691 1.00 23.52 C -ATOM 2660 CZ2 TRP B 161 48.944 38.566 30.958 1.00 31.61 C -ATOM 2661 CZ3 TRP B 161 47.221 39.876 29.864 1.00 28.91 C -ATOM 2662 CH2 TRP B 161 48.475 39.775 30.521 1.00 32.50 C -ATOM 2663 N HIS B 162 41.886 36.423 29.718 1.00 19.29 N -ATOM 2664 CA HIS B 162 40.723 36.449 28.816 1.00 21.26 C -ATOM 2665 C HIS B 162 41.243 36.821 27.403 1.00 21.40 C -ATOM 2666 O HIS B 162 41.898 37.853 27.307 1.00 21.60 O -ATOM 2667 CB HIS B 162 39.845 37.630 29.219 1.00 22.91 C -ATOM 2668 CG HIS B 162 39.027 37.378 30.457 1.00 23.22 C -ATOM 2669 ND1 HIS B 162 37.686 37.132 30.412 1.00 25.43 N -ATOM 2670 CD2 HIS B 162 39.427 37.306 31.761 1.00 24.74 C -ATOM 2671 CE1 HIS B 162 37.239 36.935 31.657 1.00 26.99 C -ATOM 2672 NE2 HIS B 162 38.286 37.043 32.481 1.00 24.19 N -ATOM 2673 N ALA B 163 40.933 36.044 26.383 1.00 21.20 N -ATOM 2674 CA ALA B 163 41.363 36.523 25.037 1.00 19.59 C -ATOM 2675 C ALA B 163 40.353 37.584 24.589 1.00 18.93 C -ATOM 2676 O ALA B 163 39.158 37.313 24.679 1.00 22.71 O -ATOM 2677 CB ALA B 163 41.217 35.364 24.064 1.00 19.96 C -ATOM 2678 N LEU B 164 40.815 38.741 24.193 1.00 17.96 N -ATOM 2679 CA LEU B 164 39.910 39.789 23.650 1.00 19.21 C -ATOM 2680 C LEU B 164 40.191 39.914 22.157 1.00 18.86 C -ATOM 2681 O LEU B 164 40.804 39.029 21.556 1.00 18.72 O -ATOM 2682 CB LEU B 164 40.233 41.122 24.345 1.00 16.80 C -ATOM 2683 CG LEU B 164 40.292 40.953 25.913 1.00 17.53 C -ATOM 2684 CD1 LEU B 164 40.719 42.292 26.514 1.00 19.92 C -ATOM 2685 CD2 LEU B 164 38.932 40.517 26.388 1.00 20.29 C -ATOM 2686 N THR B 165 39.710 40.978 21.510 1.00 17.64 N -ATOM 2687 CA THR B 165 40.084 41.196 20.097 1.00 17.07 C -ATOM 2688 C THR B 165 40.311 42.711 20.031 1.00 16.73 C -ATOM 2689 O THR B 165 39.789 43.470 20.876 1.00 19.77 O -ATOM 2690 CB THR B 165 39.019 40.744 19.094 1.00 17.54 C -ATOM 2691 OG1 THR B 165 37.896 41.643 19.075 1.00 18.38 O -ATOM 2692 CG2 THR B 165 38.470 39.355 19.398 1.00 19.68 C -ATOM 2693 N PRO B 166 41.013 43.204 19.014 1.00 16.31 N -ATOM 2694 CA PRO B 166 41.497 42.437 17.934 1.00 18.04 C -ATOM 2695 C PRO B 166 42.570 41.413 18.165 1.00 21.32 C -ATOM 2696 O PRO B 166 43.225 41.358 19.206 1.00 20.13 O -ATOM 2697 CB PRO B 166 42.071 43.513 16.944 1.00 18.99 C -ATOM 2698 CG PRO B 166 41.361 44.770 17.314 1.00 18.24 C -ATOM 2699 CD PRO B 166 41.186 44.681 18.844 1.00 17.89 C -ATOM 2700 N GLN B 167 42.726 40.556 17.140 1.00 17.19 N -ATOM 2701 CA GLN B 167 43.745 39.508 17.096 1.00 21.20 C -ATOM 2702 C GLN B 167 44.533 39.855 15.785 1.00 22.22 C -ATOM 2703 O GLN B 167 43.926 40.018 14.729 1.00 21.57 O -ATOM 2704 CB GLN B 167 43.148 38.131 17.115 1.00 19.04 C -ATOM 2705 CG GLN B 167 42.220 37.984 18.370 1.00 18.09 C -ATOM 2706 CD GLN B 167 42.053 36.570 18.831 1.00 18.73 C -ATOM 2707 OE1 GLN B 167 42.406 35.636 18.150 1.00 18.50 O -ATOM 2708 NE2 GLN B 167 41.563 36.404 20.087 1.00 16.73 N -ATOM 2709 N PHE B 168 45.828 40.044 15.981 1.00 19.76 N -ATOM 2710 CA PHE B 168 46.656 40.615 14.888 1.00 19.53 C -ATOM 2711 C PHE B 168 47.748 39.672 14.441 1.00 21.57 C -ATOM 2712 O PHE B 168 48.556 39.242 15.256 1.00 20.81 O -ATOM 2713 CB PHE B 168 47.226 41.902 15.452 1.00 18.29 C -ATOM 2714 CG PHE B 168 48.030 42.752 14.501 1.00 19.63 C -ATOM 2715 CD1 PHE B 168 49.320 43.131 14.877 1.00 24.50 C -ATOM 2716 CD2 PHE B 168 47.504 43.233 13.330 1.00 20.67 C -ATOM 2717 CE1 PHE B 168 50.052 43.974 14.037 1.00 22.18 C -ATOM 2718 CE2 PHE B 168 48.235 44.035 12.472 1.00 22.05 C -ATOM 2719 CZ PHE B 168 49.503 44.420 12.852 1.00 21.47 C -ATOM 2720 N PHE B 169 47.709 39.307 13.144 1.00 20.67 N -ATOM 2721 CA PHE B 169 48.678 38.301 12.671 1.00 20.14 C -ATOM 2722 C PHE B 169 49.112 38.606 11.236 1.00 21.97 C -ATOM 2723 O PHE B 169 48.397 39.243 10.444 1.00 22.29 O -ATOM 2724 CB PHE B 169 47.920 36.946 12.537 1.00 22.45 C -ATOM 2725 CG PHE B 169 47.259 36.484 13.802 1.00 20.89 C -ATOM 2726 CD1 PHE B 169 45.889 36.586 13.972 1.00 24.79 C -ATOM 2727 CD2 PHE B 169 48.043 35.991 14.839 1.00 23.92 C -ATOM 2728 CE1 PHE B 169 45.305 36.194 15.167 1.00 26.16 C -ATOM 2729 CE2 PHE B 169 47.455 35.610 16.023 1.00 29.32 C -ATOM 2730 CZ PHE B 169 46.088 35.716 16.209 1.00 23.35 C -ATOM 2731 N PRO B 170 50.246 38.039 10.862 1.00 23.63 N -ATOM 2732 CA PRO B 170 50.676 38.116 9.459 1.00 24.48 C -ATOM 2733 C PRO B 170 49.581 37.437 8.614 1.00 23.89 C -ATOM 2734 O PRO B 170 49.088 36.366 8.894 1.00 25.11 O -ATOM 2735 CB PRO B 170 51.973 37.329 9.423 1.00 25.00 C -ATOM 2736 CG PRO B 170 52.477 37.405 10.826 1.00 25.74 C -ATOM 2737 CD PRO B 170 51.194 37.240 11.673 1.00 23.15 C -ATOM 2738 N ARG B 171 49.259 38.082 7.488 1.00 24.06 N -ATOM 2739 CA ARG B 171 48.198 37.651 6.603 1.00 23.74 C -ATOM 2740 C ARG B 171 48.310 36.249 6.075 1.00 24.96 C -ATOM 2741 O ARG B 171 47.372 35.439 6.184 1.00 25.17 O -ATOM 2742 CB ARG B 171 48.134 38.651 5.410 1.00 20.90 C -ATOM 2743 CG ARG B 171 46.960 38.282 4.492 1.00 28.00 C -ATOM 2744 CD ARG B 171 46.836 39.370 3.441 1.00 26.64 C -ATOM 2745 NE ARG B 171 45.994 38.930 2.332 1.00 29.31 N -ATOM 2746 CZ ARG B 171 45.792 39.797 1.297 1.00 29.57 C -ATOM 2747 NH1 ARG B 171 45.016 39.417 0.316 1.00 26.31 N -ATOM 2748 NH2 ARG B 171 46.362 40.991 1.358 1.00 31.47 N -ATOM 2749 N GLU B 172 49.468 35.890 5.536 1.00 26.86 N -ATOM 2750 CA GLU B 172 49.653 34.554 4.977 1.00 27.11 C -ATOM 2751 C GLU B 172 49.644 33.496 6.058 1.00 25.57 C -ATOM 2752 O GLU B 172 49.052 32.420 5.884 1.00 27.29 O -ATOM 2753 CB GLU B 172 50.947 34.536 4.135 1.00 36.94 C -ATOM 2754 CG GLU B 172 51.202 33.207 3.466 1.00 45.89 C -ATOM 2755 CD GLU B 172 52.288 33.230 2.408 1.00 49.45 C -ATOM 2756 OE1 GLU B 172 53.412 33.696 2.684 1.00 49.91 O -ATOM 2757 OE2 GLU B 172 51.998 32.753 1.283 1.00 53.08 O -ATOM 2758 N LEU B 173 50.314 33.786 7.178 1.00 25.52 N -ATOM 2759 CA LEU B 173 50.319 32.848 8.300 1.00 25.94 C -ATOM 2760 C LEU B 173 48.888 32.610 8.758 1.00 25.58 C -ATOM 2761 O LEU B 173 48.425 31.466 8.900 1.00 24.19 O -ATOM 2762 CB LEU B 173 51.178 33.385 9.452 1.00 30.65 C -ATOM 2763 CG LEU B 173 51.304 32.521 10.706 1.00 28.09 C -ATOM 2764 CD1 LEU B 173 51.997 31.193 10.360 1.00 34.86 C -ATOM 2765 CD2 LEU B 173 52.044 33.216 11.828 1.00 31.12 C -ATOM 2766 N LEU B 174 48.133 33.713 8.901 1.00 24.25 N -ATOM 2767 CA LEU B 174 46.749 33.504 9.360 1.00 25.71 C -ATOM 2768 C LEU B 174 45.972 32.663 8.358 1.00 22.63 C -ATOM 2769 O LEU B 174 45.189 31.779 8.697 1.00 24.63 O -ATOM 2770 CB LEU B 174 46.046 34.856 9.558 1.00 23.96 C -ATOM 2771 CG LEU B 174 44.575 34.753 9.960 1.00 23.24 C -ATOM 2772 CD1 LEU B 174 44.436 34.077 11.319 1.00 25.01 C -ATOM 2773 CD2 LEU B 174 44.007 36.189 10.070 1.00 23.00 C -ATOM 2774 N HIS B 175 46.068 33.048 7.073 1.00 22.79 N -ATOM 2775 CA HIS B 175 45.376 32.310 6.040 1.00 23.20 C -ATOM 2776 C HIS B 175 45.684 30.813 6.080 1.00 24.12 C -ATOM 2777 O HIS B 175 44.808 29.955 5.999 1.00 23.74 O -ATOM 2778 CB HIS B 175 45.800 32.868 4.669 1.00 23.45 C -ATOM 2779 CG HIS B 175 45.352 32.014 3.516 1.00 28.18 C -ATOM 2780 ND1 HIS B 175 46.044 30.874 3.152 1.00 28.03 N -ATOM 2781 CD2 HIS B 175 44.295 32.108 2.690 1.00 26.43 C -ATOM 2782 CE1 HIS B 175 45.422 30.289 2.146 1.00 30.43 C -ATOM 2783 NE2 HIS B 175 44.354 31.020 1.834 1.00 25.87 N -ATOM 2784 N ASP B 176 46.966 30.503 6.076 1.00 23.41 N -ATOM 2785 CA ASP B 176 47.412 29.110 5.998 1.00 26.12 C -ATOM 2786 C ASP B 176 46.958 28.281 7.181 1.00 27.30 C -ATOM 2787 O ASP B 176 46.493 27.151 7.061 1.00 27.59 O -ATOM 2788 CB ASP B 176 48.915 29.059 5.843 1.00 29.00 C -ATOM 2789 CG ASP B 176 49.407 29.610 4.523 1.00 29.45 C -ATOM 2790 OD1 ASP B 176 48.575 29.905 3.644 1.00 31.51 O -ATOM 2791 OD2 ASP B 176 50.654 29.769 4.404 1.00 32.98 O -ATOM 2792 N CYS B 177 47.072 28.929 8.351 1.00 28.26 N -ATOM 2793 CA CYS B 177 46.673 28.247 9.546 1.00 28.12 C -ATOM 2794 C CYS B 177 45.184 28.025 9.657 1.00 28.73 C -ATOM 2795 O CYS B 177 44.698 26.956 10.061 1.00 29.34 O -ATOM 2796 CB CYS B 177 47.193 29.041 10.753 1.00 30.02 C -ATOM 2797 SG ACYS B 177 48.936 28.945 11.122 0.65 26.98 S -ATOM 2798 SG BCYS B 177 46.439 28.285 12.154 0.35 27.47 S -ATOM 2799 N LEU B 178 44.361 29.045 9.289 1.00 26.02 N -ATOM 2800 CA LEU B 178 42.917 28.818 9.316 1.00 23.12 C -ATOM 2801 C LEU B 178 42.512 27.751 8.302 1.00 23.57 C -ATOM 2802 O LEU B 178 41.647 26.890 8.549 1.00 25.87 O -ATOM 2803 CB LEU B 178 42.155 30.117 8.952 1.00 21.00 C -ATOM 2804 CG LEU B 178 42.135 31.161 10.064 1.00 24.45 C -ATOM 2805 CD1 LEU B 178 41.544 32.449 9.489 1.00 23.01 C -ATOM 2806 CD2 LEU B 178 41.335 30.668 11.256 1.00 26.05 C -ATOM 2807 N THR B 179 43.178 27.729 7.167 1.00 24.80 N -ATOM 2808 CA THR B 179 42.895 26.707 6.143 1.00 23.81 C -ATOM 2809 C THR B 179 43.269 25.312 6.682 1.00 25.04 C -ATOM 2810 O THR B 179 42.498 24.376 6.475 1.00 27.84 O -ATOM 2811 CB THR B 179 43.666 27.016 4.868 1.00 28.28 C -ATOM 2812 OG1 THR B 179 43.278 28.369 4.423 1.00 24.91 O -ATOM 2813 CG2 THR B 179 43.416 26.014 3.766 1.00 30.07 C -ATOM 2814 N ARG B 180 44.444 25.153 7.256 1.00 26.93 N -ATOM 2815 CA ARG B 180 44.823 23.836 7.830 1.00 28.75 C -ATOM 2816 C ARG B 180 43.779 23.407 8.877 1.00 30.52 C -ATOM 2817 O ARG B 180 43.304 22.271 8.899 1.00 31.83 O -ATOM 2818 CB ARG B 180 46.163 23.959 8.551 1.00 34.37 C -ATOM 2819 CG ARG B 180 47.413 23.731 7.751 1.00 40.31 C -ATOM 2820 CD ARG B 180 48.588 23.308 8.629 1.00 43.54 C -ATOM 2821 NE ARG B 180 48.304 22.114 9.417 1.00 45.48 N -ATOM 2822 CZ ARG B 180 48.997 21.748 10.502 1.00 44.55 C -ATOM 2823 NH1 ARG B 180 48.669 20.637 11.158 1.00 41.53 N -ATOM 2824 NH2 ARG B 180 50.005 22.494 10.925 1.00 46.15 N -ATOM 2825 N ALA B 181 43.423 24.340 9.775 1.00 29.25 N -ATOM 2826 CA ALA B 181 42.448 24.055 10.814 1.00 33.19 C -ATOM 2827 C ALA B 181 41.155 23.512 10.254 1.00 34.68 C -ATOM 2828 O ALA B 181 40.608 22.517 10.774 1.00 37.49 O -ATOM 2829 CB ALA B 181 42.230 25.244 11.731 1.00 30.76 C -ATOM 2830 N LEU B 182 40.627 24.144 9.204 1.00 35.12 N -ATOM 2831 CA LEU B 182 39.410 23.683 8.570 1.00 37.24 C -ATOM 2832 C LEU B 182 39.604 22.354 7.847 1.00 37.40 C -ATOM 2833 O LEU B 182 38.807 21.437 8.056 1.00 39.95 O -ATOM 2834 CB LEU B 182 38.877 24.709 7.556 1.00 36.73 C -ATOM 2835 CG LEU B 182 38.248 25.956 8.165 1.00 35.24 C -ATOM 2836 CD1 LEU B 182 38.102 27.045 7.100 1.00 35.26 C -ATOM 2837 CD2 LEU B 182 36.908 25.614 8.820 1.00 36.21 C -ATOM 2838 N ASN B 183 40.657 22.229 7.049 1.00 36.56 N -ATOM 2839 CA ASN B 183 40.927 21.021 6.292 1.00 36.89 C -ATOM 2840 C ASN B 183 41.128 19.792 7.190 1.00 38.90 C -ATOM 2841 O ASN B 183 40.875 18.662 6.752 1.00 40.47 O -ATOM 2842 CB ASN B 183 42.171 21.193 5.412 1.00 40.22 C -ATOM 2843 CG ASN B 183 41.975 22.183 4.285 1.00 43.27 C -ATOM 2844 OD1 ASN B 183 40.838 22.539 3.963 1.00 49.70 O -ATOM 2845 ND2 ASN B 183 43.056 22.623 3.657 1.00 44.86 N -ATOM 2846 N GLU B 184 41.583 19.997 8.411 1.00 37.98 N -ATOM 2847 CA GLU B 184 41.811 18.858 9.304 1.00 41.84 C -ATOM 2848 C GLU B 184 40.719 18.704 10.331 1.00 42.48 C -ATOM 2849 O GLU B 184 40.857 17.910 11.271 1.00 45.16 O -ATOM 2850 CB GLU B 184 43.183 19.016 9.948 1.00 39.60 C -ATOM 2851 CG GLU B 184 44.296 19.009 8.902 1.00 35.82 C -ATOM 2852 CD GLU B 184 45.589 19.544 9.453 1.00 33.71 C -ATOM 2853 OE1 GLU B 184 46.410 20.023 8.649 1.00 37.30 O -ATOM 2854 OE2 GLU B 184 45.821 19.486 10.679 1.00 40.18 O -ATOM 2855 N GLY B 185 39.642 19.458 10.192 1.00 43.86 N -ATOM 2856 CA GLY B 185 38.506 19.427 11.080 1.00 45.07 C -ATOM 2857 C GLY B 185 38.855 19.688 12.526 1.00 45.84 C -ATOM 2858 O GLY B 185 38.374 19.005 13.445 1.00 47.53 O -ATOM 2859 N ALA B 186 39.707 20.666 12.785 1.00 44.53 N -ATOM 2860 CA ALA B 186 40.120 21.039 14.120 1.00 42.23 C -ATOM 2861 C ALA B 186 39.037 21.929 14.750 1.00 43.00 C -ATOM 2862 O ALA B 186 38.358 22.684 14.035 1.00 41.27 O -ATOM 2863 CB ALA B 186 41.427 21.807 14.100 1.00 43.71 C -ATOM 2864 N THR B 187 38.833 21.756 16.038 1.00 40.96 N -ATOM 2865 CA THR B 187 37.806 22.582 16.713 1.00 40.66 C -ATOM 2866 C THR B 187 38.500 23.819 17.251 1.00 39.81 C -ATOM 2867 O THR B 187 39.418 23.720 18.059 1.00 42.96 O -ATOM 2868 CB THR B 187 37.041 21.799 17.762 1.00 47.49 C -ATOM 2869 OG1 THR B 187 36.640 22.643 18.859 1.00 48.61 O -ATOM 2870 CG2 THR B 187 37.852 20.625 18.289 1.00 46.19 C -ATOM 2871 N ILE B 188 38.181 24.972 16.674 1.00 35.63 N -ATOM 2872 CA ILE B 188 38.788 26.238 17.049 1.00 33.57 C -ATOM 2873 C ILE B 188 37.775 27.256 17.551 1.00 27.33 C -ATOM 2874 O ILE B 188 36.571 27.143 17.278 1.00 28.64 O -ATOM 2875 CB ILE B 188 39.511 26.864 15.835 1.00 32.70 C -ATOM 2876 CG1 ILE B 188 38.585 26.832 14.618 1.00 37.94 C -ATOM 2877 CG2 ILE B 188 40.804 26.101 15.551 1.00 36.08 C -ATOM 2878 CD1 ILE B 188 39.140 27.602 13.421 1.00 41.27 C -ATOM 2879 N THR B 189 38.250 28.281 18.207 1.00 27.35 N -ATOM 2880 CA THR B 189 37.346 29.343 18.740 1.00 26.13 C -ATOM 2881 C THR B 189 37.792 30.675 18.154 1.00 26.24 C -ATOM 2882 O THR B 189 37.235 31.151 17.147 1.00 27.50 O -ATOM 2883 CB THR B 189 37.417 29.387 20.273 1.00 27.91 C -ATOM 2884 OG1 THR B 189 38.809 29.311 20.660 1.00 26.23 O -ATOM 2885 CG2 THR B 189 36.675 28.183 20.865 1.00 35.75 C -ATOM 2886 N ASP B 190 38.857 31.262 18.694 1.00 22.91 N -ATOM 2887 CA ASP B 190 39.323 32.529 18.116 1.00 20.68 C -ATOM 2888 C ASP B 190 40.440 32.256 17.113 1.00 21.05 C -ATOM 2889 O ASP B 190 40.798 31.087 16.867 1.00 20.81 O -ATOM 2890 CB ASP B 190 39.767 33.478 19.215 1.00 20.10 C -ATOM 2891 CG ASP B 190 40.908 32.956 20.078 1.00 20.77 C -ATOM 2892 OD1 ASP B 190 41.389 31.841 19.857 1.00 20.30 O -ATOM 2893 OD2 ASP B 190 41.296 33.721 20.976 1.00 21.46 O -ATOM 2894 N GLU B 191 40.923 33.331 16.492 1.00 19.59 N -ATOM 2895 CA GLU B 191 41.998 33.173 15.490 1.00 21.53 C -ATOM 2896 C GLU B 191 43.267 32.697 16.173 1.00 23.12 C -ATOM 2897 O GLU B 191 44.019 31.894 15.620 1.00 23.35 O -ATOM 2898 CB GLU B 191 42.247 34.495 14.748 1.00 19.22 C -ATOM 2899 CG GLU B 191 41.133 34.846 13.758 1.00 19.39 C -ATOM 2900 CD GLU B 191 39.850 35.243 14.469 1.00 21.22 C -ATOM 2901 OE1 GLU B 191 39.912 35.938 15.504 1.00 25.80 O -ATOM 2902 OE2 GLU B 191 38.792 34.807 14.004 1.00 23.14 O -ATOM 2903 N ALA B 192 43.481 33.138 17.440 1.00 21.39 N -ATOM 2904 CA ALA B 192 44.704 32.642 18.110 1.00 21.04 C -ATOM 2905 C ALA B 192 44.668 31.132 18.243 1.00 21.62 C -ATOM 2906 O ALA B 192 45.749 30.494 18.114 1.00 23.97 O -ATOM 2907 CB ALA B 192 44.809 33.305 19.468 1.00 17.59 C -ATOM 2908 N SER B 193 43.506 30.541 18.471 1.00 19.90 N -ATOM 2909 CA SER B 193 43.374 29.083 18.632 1.00 23.09 C -ATOM 2910 C SER B 193 43.780 28.349 17.361 1.00 26.49 C -ATOM 2911 O SER B 193 44.320 27.226 17.411 1.00 22.41 O -ATOM 2912 CB SER B 193 42.010 28.653 19.122 1.00 26.76 C -ATOM 2913 OG SER B 193 41.004 28.757 18.096 1.00 25.70 O -ATOM 2914 N ALA B 194 43.514 28.961 16.212 1.00 24.82 N -ATOM 2915 CA ALA B 194 43.978 28.368 14.960 1.00 27.43 C -ATOM 2916 C ALA B 194 45.508 28.416 14.980 1.00 27.04 C -ATOM 2917 O ALA B 194 46.129 27.406 14.516 1.00 27.31 O -ATOM 2918 CB ALA B 194 43.419 29.172 13.779 1.00 25.45 C -ATOM 2919 N LEU B 195 46.138 29.527 15.299 1.00 24.81 N -ATOM 2920 CA LEU B 195 47.613 29.622 15.300 1.00 26.06 C -ATOM 2921 C LEU B 195 48.196 28.587 16.252 1.00 27.78 C -ATOM 2922 O LEU B 195 49.241 27.937 15.982 1.00 29.41 O -ATOM 2923 CB LEU B 195 48.127 30.993 15.629 1.00 25.57 C -ATOM 2924 CG LEU B 195 48.384 32.036 14.544 1.00 31.79 C -ATOM 2925 CD1 LEU B 195 49.557 31.648 13.679 1.00 34.20 C -ATOM 2926 CD2 LEU B 195 47.138 32.265 13.684 1.00 27.31 C -ATOM 2927 N GLU B 196 47.568 28.475 17.410 1.00 25.78 N -ATOM 2928 CA GLU B 196 47.987 27.501 18.418 1.00 26.39 C -ATOM 2929 C GLU B 196 47.896 26.104 17.839 1.00 27.44 C -ATOM 2930 O GLU B 196 48.876 25.357 17.964 1.00 26.27 O -ATOM 2931 CB GLU B 196 47.068 27.605 19.656 1.00 27.02 C -ATOM 2932 CG GLU B 196 47.221 28.942 20.376 1.00 25.65 C -ATOM 2933 CD GLU B 196 45.975 29.264 21.213 1.00 25.99 C -ATOM 2934 OE1 GLU B 196 45.356 28.326 21.723 1.00 25.91 O -ATOM 2935 OE2 GLU B 196 45.636 30.456 21.297 1.00 25.43 O -ATOM 2936 N TYR B 197 46.797 25.763 17.165 1.00 26.73 N -ATOM 2937 CA TYR B 197 46.628 24.475 16.520 1.00 28.41 C -ATOM 2938 C TYR B 197 47.770 24.171 15.567 1.00 31.32 C -ATOM 2939 O TYR B 197 48.186 22.982 15.457 1.00 30.51 O -ATOM 2940 CB TYR B 197 45.324 24.352 15.725 1.00 28.75 C -ATOM 2941 CG TYR B 197 45.189 23.040 14.973 1.00 30.20 C -ATOM 2942 CD1 TYR B 197 45.380 22.988 13.598 1.00 27.55 C -ATOM 2943 CD2 TYR B 197 44.936 21.849 15.658 1.00 32.93 C -ATOM 2944 CE1 TYR B 197 45.272 21.792 12.908 1.00 28.62 C -ATOM 2945 CE2 TYR B 197 44.842 20.648 14.959 1.00 33.00 C -ATOM 2946 CZ TYR B 197 45.042 20.625 13.610 1.00 32.12 C -ATOM 2947 OH TYR B 197 44.934 19.441 12.897 1.00 33.43 O -ATOM 2948 N CYS B 198 48.273 25.170 14.879 1.00 31.58 N -ATOM 2949 CA CYS B 198 49.377 25.032 13.946 1.00 33.09 C -ATOM 2950 C CYS B 198 50.743 25.030 14.570 1.00 33.85 C -ATOM 2951 O CYS B 198 51.750 24.974 13.851 1.00 31.95 O -ATOM 2952 CB CYS B 198 49.244 26.096 12.833 1.00 38.89 C -ATOM 2953 SG CYS B 198 47.686 25.731 11.943 1.00 37.37 S -ATOM 2954 N GLY B 199 50.817 25.109 15.899 1.00 30.75 N -ATOM 2955 CA GLY B 199 52.078 25.038 16.615 1.00 31.41 C -ATOM 2956 C GLY B 199 52.676 26.314 17.034 1.00 31.51 C -ATOM 2957 O GLY B 199 53.815 26.381 17.538 1.00 35.04 O -ATOM 2958 N PHE B 200 51.926 27.442 16.923 1.00 26.45 N -ATOM 2959 CA PHE B 200 52.482 28.734 17.294 1.00 25.45 C -ATOM 2960 C PHE B 200 52.020 29.249 18.644 1.00 25.08 C -ATOM 2961 O PHE B 200 51.084 28.713 19.239 1.00 24.53 O -ATOM 2962 CB PHE B 200 52.115 29.760 16.177 1.00 28.40 C -ATOM 2963 CG PHE B 200 52.746 29.364 14.854 1.00 31.10 C -ATOM 2964 CD1 PHE B 200 54.088 29.531 14.635 1.00 33.82 C -ATOM 2965 CD2 PHE B 200 51.949 28.831 13.853 1.00 33.66 C -ATOM 2966 CE1 PHE B 200 54.661 29.175 13.412 1.00 32.75 C -ATOM 2967 CE2 PHE B 200 52.501 28.493 12.632 1.00 35.54 C -ATOM 2968 CZ PHE B 200 53.856 28.681 12.431 1.00 32.72 C -ATOM 2969 N HIS B 201 52.665 30.288 19.171 1.00 26.79 N -ATOM 2970 CA HIS B 201 52.348 30.853 20.484 1.00 27.68 C -ATOM 2971 C HIS B 201 52.242 32.338 20.455 1.00 27.61 C -ATOM 2972 O HIS B 201 53.160 33.102 20.808 1.00 27.28 O -ATOM 2973 CB HIS B 201 53.525 30.430 21.464 1.00 27.41 C -ATOM 2974 CG HIS B 201 53.465 28.940 21.674 1.00 29.45 C -ATOM 2975 ND1 HIS B 201 54.279 28.092 20.911 1.00 35.96 N -ATOM 2976 CD2 HIS B 201 52.705 28.137 22.423 1.00 22.89 C -ATOM 2977 CE1 HIS B 201 54.000 26.838 21.239 1.00 29.02 C -ATOM 2978 NE2 HIS B 201 53.071 26.832 22.152 1.00 32.79 N -ATOM 2979 N PRO B 202 51.094 32.876 19.975 1.00 26.48 N -ATOM 2980 CA PRO B 202 50.916 34.301 19.861 1.00 27.43 C -ATOM 2981 C PRO B 202 51.103 35.084 21.131 1.00 27.40 C -ATOM 2982 O PRO B 202 50.789 34.638 22.238 1.00 27.08 O -ATOM 2983 CB PRO B 202 49.504 34.443 19.290 1.00 25.66 C -ATOM 2984 CG PRO B 202 49.179 33.124 18.683 1.00 27.20 C -ATOM 2985 CD PRO B 202 49.936 32.092 19.525 1.00 26.74 C -ATOM 2986 N GLN B 203 51.548 36.327 21.035 1.00 28.06 N -ATOM 2987 CA GLN B 203 51.770 37.181 22.182 1.00 27.20 C -ATOM 2988 C GLN B 203 50.463 37.631 22.831 1.00 29.38 C -ATOM 2989 O GLN B 203 49.417 37.750 22.178 1.00 27.60 O -ATOM 2990 CB GLN B 203 52.509 38.469 21.736 1.00 34.62 C -ATOM 2991 CG GLN B 203 53.954 38.251 21.321 1.00 40.01 C -ATOM 2992 CD GLN B 203 54.773 37.782 22.524 1.00 45.72 C -ATOM 2993 OE1 GLN B 203 54.830 38.507 23.517 1.00 47.15 O -ATOM 2994 NE2 GLN B 203 55.293 36.567 22.432 1.00 49.28 N -ATOM 2995 N LEU B 204 50.539 37.818 24.153 1.00 26.21 N -ATOM 2996 CA LEU B 204 49.424 38.364 24.907 1.00 24.70 C -ATOM 2997 C LEU B 204 49.733 39.845 25.157 1.00 27.12 C -ATOM 2998 O LEU B 204 50.804 40.171 25.715 1.00 27.91 O -ATOM 2999 CB LEU B 204 49.198 37.645 26.220 1.00 24.96 C -ATOM 3000 CG LEU B 204 48.829 36.164 26.099 1.00 27.42 C -ATOM 3001 CD1 LEU B 204 49.160 35.464 27.422 1.00 28.99 C -ATOM 3002 CD2 LEU B 204 47.357 36.001 25.786 1.00 24.90 C -ATOM 3003 N VAL B 205 48.974 40.728 24.543 1.00 22.22 N -ATOM 3004 CA VAL B 205 49.189 42.170 24.751 1.00 23.36 C -ATOM 3005 C VAL B 205 48.091 42.606 25.712 1.00 24.48 C -ATOM 3006 O VAL B 205 46.908 42.504 25.425 1.00 23.20 O -ATOM 3007 CB VAL B 205 49.121 42.989 23.464 1.00 23.02 C -ATOM 3008 CG1 VAL B 205 49.291 44.462 23.724 1.00 25.29 C -ATOM 3009 CG2 VAL B 205 50.185 42.479 22.471 1.00 24.95 C -ATOM 3010 N GLU B 206 48.520 43.040 26.914 1.00 23.25 N -ATOM 3011 CA GLU B 206 47.484 43.404 27.883 1.00 21.95 C -ATOM 3012 C GLU B 206 46.687 44.617 27.461 1.00 24.23 C -ATOM 3013 O GLU B 206 47.216 45.674 27.097 1.00 26.51 O -ATOM 3014 CB GLU B 206 48.075 43.640 29.284 1.00 27.61 C -ATOM 3015 CG GLU B 206 46.942 43.979 30.267 1.00 27.86 C -ATOM 3016 CD GLU B 206 47.446 43.980 31.714 1.00 34.04 C -ATOM 3017 OE1 GLU B 206 46.622 44.291 32.581 1.00 32.66 O -ATOM 3018 OE2 GLU B 206 48.642 43.706 31.931 1.00 32.92 O -ATOM 3019 N GLY B 207 45.353 44.457 27.459 1.00 22.13 N -ATOM 3020 CA GLY B 207 44.448 45.503 27.084 1.00 25.60 C -ATOM 3021 C GLY B 207 43.455 45.784 28.190 1.00 24.49 C -ATOM 3022 O GLY B 207 43.434 45.017 29.188 1.00 27.11 O -ATOM 3023 N ARG B 208 42.684 46.840 28.057 1.00 24.40 N -ATOM 3024 CA ARG B 208 41.700 47.191 29.066 1.00 23.76 C -ATOM 3025 C ARG B 208 40.621 46.111 29.172 1.00 27.02 C -ATOM 3026 O ARG B 208 40.125 45.606 28.201 1.00 24.97 O -ATOM 3027 CB ARG B 208 41.027 48.510 28.753 1.00 27.10 C -ATOM 3028 CG ARG B 208 41.950 49.705 28.628 1.00 25.67 C -ATOM 3029 CD ARG B 208 41.243 50.800 27.832 1.00 33.79 C -ATOM 3030 NE ARG B 208 40.029 51.258 28.535 1.00 33.51 N -ATOM 3031 CZ ARG B 208 40.031 52.460 29.138 1.00 41.99 C -ATOM 3032 NH1 ARG B 208 38.960 52.910 29.766 1.00 42.30 N -ATOM 3033 NH2 ARG B 208 41.147 53.192 29.099 1.00 43.59 N -ATOM 3034 N ALA B 209 40.215 45.812 30.433 1.00 24.03 N -ATOM 3035 CA ALA B 209 39.167 44.828 30.647 1.00 24.53 C -ATOM 3036 C ALA B 209 37.799 45.318 30.253 1.00 23.71 C -ATOM 3037 O ALA B 209 36.844 44.527 30.126 1.00 24.48 O -ATOM 3038 CB ALA B 209 39.191 44.401 32.138 1.00 24.29 C -ATOM 3039 N ASP B 210 37.623 46.645 30.031 1.00 23.37 N -ATOM 3040 CA ASP B 210 36.317 47.157 29.618 1.00 23.57 C -ATOM 3041 C ASP B 210 36.066 47.038 28.125 1.00 22.86 C -ATOM 3042 O ASP B 210 35.062 47.517 27.583 1.00 21.93 O -ATOM 3043 CB ASP B 210 36.071 48.556 30.133 1.00 26.39 C -ATOM 3044 CG ASP B 210 36.946 49.632 29.570 1.00 32.67 C -ATOM 3045 OD1 ASP B 210 36.758 50.815 30.021 1.00 37.24 O -ATOM 3046 OD2 ASP B 210 37.831 49.388 28.731 1.00 30.54 O -ATOM 3047 N ASN B 211 36.965 46.338 27.429 1.00 20.62 N -ATOM 3048 CA ASN B 211 36.760 46.038 25.980 1.00 19.54 C -ATOM 3049 C ASN B 211 35.902 44.770 25.942 1.00 23.51 C -ATOM 3050 O ASN B 211 36.270 43.693 25.472 1.00 24.02 O -ATOM 3051 CB ASN B 211 38.161 45.759 25.390 1.00 20.91 C -ATOM 3052 CG ASN B 211 38.143 45.371 23.926 1.00 22.66 C -ATOM 3053 OD1 ASN B 211 37.162 45.565 23.230 1.00 22.16 O -ATOM 3054 ND2 ASN B 211 39.278 44.819 23.447 1.00 19.21 N -ATOM 3055 N ILE B 212 34.631 44.939 26.409 1.00 22.40 N -ATOM 3056 CA ILE B 212 33.736 43.813 26.503 1.00 23.52 C -ATOM 3057 C ILE B 212 33.010 43.415 25.242 1.00 23.36 C -ATOM 3058 O ILE B 212 32.800 44.212 24.334 1.00 23.20 O -ATOM 3059 CB ILE B 212 32.651 44.080 27.591 1.00 27.53 C -ATOM 3060 CG1 ILE B 212 31.804 45.278 27.191 1.00 29.25 C -ATOM 3061 CG2 ILE B 212 33.369 44.279 28.919 1.00 29.89 C -ATOM 3062 CD1 ILE B 212 30.593 45.580 28.025 1.00 36.08 C -ATOM 3063 N LYS B 213 32.531 42.176 25.248 1.00 22.10 N -ATOM 3064 CA LYS B 213 31.728 41.690 24.123 1.00 24.36 C -ATOM 3065 C LYS B 213 30.234 41.759 24.496 1.00 28.24 C -ATOM 3066 O LYS B 213 29.864 41.182 25.526 1.00 29.96 O -ATOM 3067 CB LYS B 213 32.117 40.257 23.783 1.00 26.38 C -ATOM 3068 CG LYS B 213 31.465 39.730 22.502 1.00 27.58 C -ATOM 3069 CD LYS B 213 32.005 38.309 22.187 1.00 32.50 C -ATOM 3070 CE LYS B 213 31.235 37.787 20.964 1.00 35.80 C -ATOM 3071 NZ LYS B 213 31.567 36.352 20.701 1.00 45.63 N -ATOM 3072 N VAL B 214 29.420 42.342 23.648 1.00 29.26 N -ATOM 3073 CA VAL B 214 27.968 42.435 23.899 1.00 29.19 C -ATOM 3074 C VAL B 214 27.290 41.157 23.390 1.00 31.42 C -ATOM 3075 O VAL B 214 27.219 40.916 22.176 1.00 30.25 O -ATOM 3076 CB VAL B 214 27.386 43.672 23.235 1.00 28.04 C -ATOM 3077 CG1 VAL B 214 25.859 43.767 23.488 1.00 29.05 C -ATOM 3078 CG2 VAL B 214 28.050 44.936 23.763 1.00 23.27 C -ATOM 3079 N THR B 215 26.901 40.280 24.331 1.00 32.33 N -ATOM 3080 CA THR B 215 26.269 39.022 23.938 1.00 35.39 C -ATOM 3081 C THR B 215 24.881 38.827 24.541 1.00 38.57 C -ATOM 3082 O THR B 215 24.099 38.017 23.997 1.00 40.30 O -ATOM 3083 CB THR B 215 27.130 37.800 24.255 1.00 37.50 C -ATOM 3084 OG1 THR B 215 27.429 37.682 25.630 1.00 38.54 O -ATOM 3085 CG2 THR B 215 28.458 37.843 23.493 1.00 41.22 C -ATOM 3086 N ARG B 216 24.560 39.507 25.600 1.00 37.64 N -ATOM 3087 CA ARG B 216 23.263 39.406 26.274 1.00 42.98 C -ATOM 3088 C ARG B 216 22.670 40.798 26.396 1.00 42.38 C -ATOM 3089 O ARG B 216 23.393 41.801 26.349 1.00 41.74 O -ATOM 3090 CB ARG B 216 23.385 38.697 27.617 1.00 41.30 C -ATOM 3091 CG ARG B 216 23.344 37.176 27.519 1.00 47.09 C -ATOM 3092 CD ARG B 216 21.927 36.682 27.224 1.00 49.60 C -ATOM 3093 N PRO B 217 21.367 40.894 26.620 1.00 44.29 N -ATOM 3094 CA PRO B 217 20.684 42.167 26.717 1.00 43.60 C -ATOM 3095 C PRO B 217 21.210 43.110 27.749 1.00 42.40 C -ATOM 3096 O PRO B 217 21.248 44.339 27.522 1.00 43.26 O -ATOM 3097 CB PRO B 217 19.222 41.811 26.891 1.00 44.08 C -ATOM 3098 CG PRO B 217 19.178 40.385 27.281 1.00 46.34 C -ATOM 3099 CD PRO B 217 20.431 39.747 26.737 1.00 45.51 C -ATOM 3100 N GLU B 218 21.745 42.634 28.876 1.00 42.73 N -ATOM 3101 CA GLU B 218 22.266 43.545 29.900 1.00 42.42 C -ATOM 3102 C GLU B 218 23.612 44.150 29.540 1.00 41.62 C -ATOM 3103 O GLU B 218 24.040 45.153 30.111 1.00 39.32 O -ATOM 3104 CB GLU B 218 22.414 42.770 31.221 1.00 49.86 C -ATOM 3105 CG GLU B 218 23.252 41.518 31.087 1.00 51.71 C -ATOM 3106 CD GLU B 218 22.472 40.267 30.764 1.00 54.13 C -ATOM 3107 OE1 GLU B 218 22.971 39.163 31.114 1.00 52.69 O -ATOM 3108 OE2 GLU B 218 21.381 40.349 30.156 1.00 53.22 O -ATOM 3109 N ASP B 219 24.325 43.522 28.598 1.00 40.16 N -ATOM 3110 CA ASP B 219 25.640 43.992 28.181 1.00 37.40 C -ATOM 3111 C ASP B 219 25.575 45.323 27.474 1.00 36.87 C -ATOM 3112 O ASP B 219 26.552 46.082 27.430 1.00 38.94 O -ATOM 3113 CB ASP B 219 26.308 42.945 27.270 1.00 37.04 C -ATOM 3114 CG ASP B 219 26.636 41.644 27.936 1.00 36.99 C -ATOM 3115 OD1 ASP B 219 26.759 41.566 29.172 1.00 41.41 O -ATOM 3116 OD2 ASP B 219 26.775 40.611 27.235 1.00 39.22 O -ATOM 3117 N LEU B 220 24.435 45.646 26.878 1.00 33.85 N -ATOM 3118 CA LEU B 220 24.201 46.856 26.161 1.00 35.44 C -ATOM 3119 C LEU B 220 24.307 48.095 27.030 1.00 36.94 C -ATOM 3120 O LEU B 220 24.935 49.088 26.676 1.00 36.09 O -ATOM 3121 CB LEU B 220 22.825 46.831 25.468 1.00 37.78 C -ATOM 3122 CG LEU B 220 22.649 47.937 24.413 1.00 42.55 C -ATOM 3123 CD1 LEU B 220 23.464 47.607 23.173 1.00 42.92 C -ATOM 3124 CD2 LEU B 220 21.177 48.127 24.061 1.00 45.25 C -ATOM 3125 N ALA B 221 23.678 48.047 28.224 1.00 37.10 N -ATOM 3126 CA ALA B 221 23.785 49.239 29.096 1.00 36.17 C -ATOM 3127 C ALA B 221 25.206 49.409 29.602 1.00 33.64 C -ATOM 3128 O ALA B 221 25.688 50.547 29.717 1.00 33.97 O -ATOM 3129 CB ALA B 221 22.781 49.165 30.222 1.00 36.66 C -ATOM 3130 N LEU B 222 25.888 48.310 29.893 1.00 33.19 N -ATOM 3131 CA LEU B 222 27.268 48.328 30.369 1.00 32.43 C -ATOM 3132 C LEU B 222 28.194 48.923 29.296 1.00 31.78 C -ATOM 3133 O LEU B 222 29.105 49.680 29.577 1.00 30.45 O -ATOM 3134 CB LEU B 222 27.740 46.918 30.657 1.00 37.53 C -ATOM 3135 CG LEU B 222 28.752 46.608 31.718 1.00 41.87 C -ATOM 3136 CD1 LEU B 222 29.547 45.346 31.370 1.00 40.15 C -ATOM 3137 CD2 LEU B 222 29.673 47.743 32.092 1.00 42.42 C -ATOM 3138 N ALA B 223 27.985 48.451 28.055 1.00 30.60 N -ATOM 3139 CA ALA B 223 28.781 49.006 26.939 1.00 29.03 C -ATOM 3140 C ALA B 223 28.538 50.496 26.811 1.00 28.27 C -ATOM 3141 O ALA B 223 29.454 51.311 26.608 1.00 30.46 O -ATOM 3142 CB ALA B 223 28.408 48.256 25.669 1.00 25.90 C -ATOM 3143 N GLU B 224 27.286 50.931 26.949 1.00 31.52 N -ATOM 3144 CA GLU B 224 26.979 52.369 26.862 1.00 31.56 C -ATOM 3145 C GLU B 224 27.717 53.147 27.931 1.00 29.88 C -ATOM 3146 O GLU B 224 28.335 54.197 27.708 1.00 31.87 O -ATOM 3147 CB GLU B 224 25.466 52.565 26.996 1.00 37.59 C -ATOM 3148 CG GLU B 224 25.063 54.034 27.081 1.00 44.16 C -ATOM 3149 CD GLU B 224 23.570 54.227 26.910 1.00 47.33 C -ATOM 3150 OE1 GLU B 224 22.784 53.552 27.611 1.00 50.27 O -ATOM 3151 OE2 GLU B 224 23.177 55.063 26.075 1.00 51.35 O -ATOM 3152 N PHE B 225 27.666 52.638 29.170 1.00 30.09 N -ATOM 3153 CA PHE B 225 28.365 53.271 30.272 1.00 28.56 C -ATOM 3154 C PHE B 225 29.837 53.456 29.946 1.00 30.69 C -ATOM 3155 O PHE B 225 30.411 54.533 30.097 1.00 30.12 O -ATOM 3156 CB PHE B 225 28.229 52.376 31.530 1.00 32.18 C -ATOM 3157 CG PHE B 225 29.101 52.873 32.653 1.00 33.99 C -ATOM 3158 CD1 PHE B 225 30.303 52.269 32.930 1.00 35.20 C -ATOM 3159 CD2 PHE B 225 28.714 53.989 33.393 1.00 34.92 C -ATOM 3160 CE1 PHE B 225 31.123 52.733 33.953 1.00 35.63 C -ATOM 3161 CE2 PHE B 225 29.529 54.453 34.415 1.00 37.07 C -ATOM 3162 CZ PHE B 225 30.729 53.833 34.694 1.00 36.18 C -ATOM 3163 N TYR B 226 30.474 52.384 29.436 1.00 28.96 N -ATOM 3164 CA TYR B 226 31.882 52.455 29.097 1.00 31.03 C -ATOM 3165 C TYR B 226 32.136 53.438 27.968 1.00 31.82 C -ATOM 3166 O TYR B 226 33.145 54.149 27.985 1.00 33.80 O -ATOM 3167 CB TYR B 226 32.419 51.070 28.686 1.00 33.05 C -ATOM 3168 CG TYR B 226 32.639 50.091 29.814 1.00 32.81 C -ATOM 3169 CD1 TYR B 226 32.472 48.728 29.613 1.00 32.54 C -ATOM 3170 CD2 TYR B 226 33.059 50.524 31.071 1.00 35.25 C -ATOM 3171 CE1 TYR B 226 32.671 47.817 30.635 1.00 33.32 C -ATOM 3172 CE2 TYR B 226 33.250 49.620 32.112 1.00 37.05 C -ATOM 3173 CZ TYR B 226 33.068 48.278 31.880 1.00 35.34 C -ATOM 3174 OH TYR B 226 33.280 47.365 32.889 1.00 34.35 O -ATOM 3175 N LEU B 227 31.236 53.491 26.990 1.00 33.27 N -ATOM 3176 CA LEU B 227 31.445 54.366 25.833 1.00 38.92 C -ATOM 3177 C LEU B 227 31.425 55.825 26.225 1.00 42.86 C -ATOM 3178 O LEU B 227 32.315 56.605 25.858 1.00 43.34 O -ATOM 3179 CB LEU B 227 30.466 54.042 24.708 1.00 36.13 C -ATOM 3180 CG LEU B 227 30.936 52.959 23.725 1.00 37.39 C -ATOM 3181 CD1 LEU B 227 30.006 52.878 22.523 1.00 37.56 C -ATOM 3182 CD2 LEU B 227 32.365 53.243 23.254 1.00 37.00 C -ATOM 3183 N THR B 228 30.460 56.175 27.076 1.00 43.63 N -ATOM 3184 CA THR B 228 30.386 57.552 27.601 1.00 49.66 C -ATOM 3185 C THR B 228 31.677 57.823 28.380 1.00 52.25 C -ATOM 3186 O THR B 228 32.184 58.940 28.408 1.00 53.68 O -ATOM 3187 CB THR B 228 29.139 57.696 28.470 1.00 50.53 C -ATOM 3188 OG1 THR B 228 28.001 57.344 27.644 1.00 53.11 O -ATOM 3189 CG2 THR B 228 28.980 59.105 28.997 1.00 50.51 C -ATOM 3190 N ARG B 229 32.266 56.762 28.885 1.00 54.68 N -ATOM 3191 CA ARG B 229 33.492 56.608 29.584 1.00 56.72 C -ATOM 3192 C ARG B 229 33.404 56.995 31.048 1.00 57.71 C -ATOM 3193 O ARG B 229 32.426 56.609 31.727 1.00 60.59 O -ATOM 3194 CB ARG B 229 34.675 57.249 28.868 1.00 53.75 C -ATOM 3195 CG ARG B 229 34.973 56.768 27.472 1.00 56.74 C -ATOM 3196 CD ARG B 229 35.798 55.503 27.403 1.00 55.81 C -TER 3197 ARG B 229 -HETATM 3198 O HOH A 237 33.923 36.238 30.793 1.00 24.25 O -HETATM 3199 O HOH A 238 26.379 30.591 68.091 1.00 24.07 O -HETATM 3200 O HOH A 239 39.282 22.933 44.114 1.00 26.95 O -HETATM 3201 O HOH A 240 28.500 43.599 44.238 1.00 25.77 O -HETATM 3202 O HOH A 241 25.473 41.279 68.942 1.00 22.02 O -HETATM 3203 O HOH A 242 25.033 37.922 41.220 1.00 24.80 O -HETATM 3204 O HOH A 243 36.037 19.689 61.785 1.00 27.56 O -HETATM 3205 O HOH A 244 44.175 16.957 54.884 1.00 29.46 O -HETATM 3206 O HOH A 245 38.173 29.013 25.928 1.00 28.22 O -HETATM 3207 O HOH A 246 24.360 42.064 41.294 1.00 31.37 O -HETATM 3208 O HOH A 247 25.162 36.062 34.676 1.00 32.82 O -HETATM 3209 O HOH A 248 35.590 40.472 27.608 1.00 26.19 O -HETATM 3210 O HOH A 249 28.934 17.489 47.676 1.00 28.13 O -HETATM 3211 O HOH A 250 33.108 28.707 64.587 1.00 26.02 O -HETATM 3212 O HOH A 251 31.048 40.449 38.414 1.00 30.90 O -HETATM 3213 O HOH A 252 41.921 17.873 49.959 1.00 25.73 O -HETATM 3214 O HOH A 253 17.804 28.284 60.805 1.00 28.97 O -HETATM 3215 O HOH A 254 22.617 40.457 65.048 1.00 26.41 O -HETATM 3216 O HOH A 255 38.637 19.144 62.472 1.00 31.87 O -HETATM 3217 O HOH A 256 35.022 31.392 71.077 1.00 33.78 O -HETATM 3218 O HOH A 257 38.439 39.686 56.989 1.00 43.86 O -HETATM 3219 O HOH A 258 40.495 23.777 47.893 1.00 28.21 O -HETATM 3220 O HOH A 259 30.094 43.924 35.578 1.00 40.57 O -HETATM 3221 O HOH A 260 18.991 40.996 65.982 1.00 29.61 O -HETATM 3222 O HOH A 261 29.095 26.845 63.800 1.00 30.45 O -HETATM 3223 O HOH A 262 25.690 20.297 44.674 1.00 33.18 O -HETATM 3224 O HOH A 263 22.873 39.948 42.064 1.00 27.81 O -HETATM 3225 O HOH A 264 22.848 46.107 46.067 1.00 29.20 O -HETATM 3226 O HOH A 265 29.479 36.658 32.801 1.00 36.39 O -HETATM 3227 O HOH A 266 36.737 43.979 66.624 1.00 35.16 O -HETATM 3228 O HOH A 267 16.379 41.286 57.431 1.00 30.78 O -HETATM 3229 O HOH A 268 25.277 20.224 57.651 1.00 28.68 O -HETATM 3230 O HOH A 269 29.731 18.331 58.913 1.00 33.99 O -HETATM 3231 O HOH A 270 35.009 20.860 64.139 1.00 34.49 O -HETATM 3232 O HOH A 271 35.390 33.917 71.278 1.00 30.74 O -HETATM 3233 O HOH A 272 34.953 36.921 46.285 1.00 47.25 O -HETATM 3234 O HOH A 273 24.418 19.102 55.166 1.00 30.98 O -HETATM 3235 O HOH A 274 34.781 40.683 52.850 1.00 30.36 O -HETATM 3236 O HOH A 275 31.958 37.947 37.478 1.00 32.07 O -HETATM 3237 O HOH A 276 30.879 29.218 30.311 1.00 38.68 O -HETATM 3238 O HOH A 277 30.719 27.846 65.801 1.00 33.84 O -HETATM 3239 O HOH A 278 46.031 25.343 31.680 1.00 31.63 O -HETATM 3240 O HOH A 279 28.209 24.644 34.019 1.00 29.37 O -HETATM 3241 O HOH A 280 34.556 41.977 40.395 1.00 36.71 O -HETATM 3242 O HOH A 281 22.588 50.103 48.476 1.00 50.81 O -HETATM 3243 O HOH A 282 13.831 30.976 50.553 1.00 35.10 O -HETATM 3244 O HOH A 283 51.340 30.418 33.182 1.00 35.83 O -HETATM 3245 O HOH A 284 41.087 21.290 47.090 1.00 33.17 O -HETATM 3246 O HOH A 285 19.222 44.390 46.768 1.00 41.43 O -HETATM 3247 O HOH A 286 26.891 37.021 32.642 1.00 33.88 O -HETATM 3248 O HOH A 287 22.547 47.414 48.540 1.00 44.39 O -HETATM 3249 O HOH A 288 36.826 27.271 24.574 1.00 40.41 O -HETATM 3250 O HOH A 289 28.628 24.084 64.191 1.00 40.20 O -HETATM 3251 O HOH A 290 34.968 17.273 62.018 1.00 35.89 O -HETATM 3252 O HOH A 291 17.261 39.909 64.124 1.00 30.02 O -HETATM 3253 O HOH A 292 35.197 42.189 50.247 1.00 37.47 O -HETATM 3254 O HOH A 293 12.822 34.254 48.629 1.00 37.99 O -HETATM 3255 O HOH A 294 36.956 13.763 51.517 1.00 28.05 O -HETATM 3256 O HOH A 295 29.137 56.381 37.863 1.00 36.24 O -HETATM 3257 O HOH A 296 21.745 28.885 37.651 1.00 39.21 O -HETATM 3258 O HOH A 297 14.306 39.814 58.280 1.00 47.47 O -HETATM 3259 O HOH A 298 36.893 34.673 68.015 1.00 34.52 O -HETATM 3260 O HOH A 299 29.982 27.999 32.279 1.00 40.49 O -HETATM 3261 O HOH A 300 37.528 37.817 70.114 1.00 42.54 O -HETATM 3262 O HOH A 301 38.570 54.296 52.519 1.00 39.93 O -HETATM 3263 O HOH A 302 26.070 43.741 33.268 1.00 39.38 O -HETATM 3264 O HOH A 303 22.705 54.935 39.478 1.00 52.96 O -HETATM 3265 O HOH A 304 20.846 52.612 38.442 1.00 63.47 O -HETATM 3266 O HOH A 305 14.491 34.954 42.428 1.00 48.64 O -HETATM 3267 O HOH A 306 44.559 29.859 53.191 1.00 47.40 O -HETATM 3268 O HOH A 307 23.730 48.152 69.433 1.00 44.15 O -HETATM 3269 O HOH A 308 14.163 31.954 48.045 1.00 32.61 O -HETATM 3270 O HOH A 309 41.538 28.088 46.986 1.00 34.42 O -HETATM 3271 O HOH A 310 36.706 25.697 64.769 1.00 36.22 O -HETATM 3272 O HOH A 311 53.166 32.368 34.061 1.00 51.13 O -HETATM 3273 O HOH A 312 23.839 52.491 56.783 1.00 55.43 O -HETATM 3274 O HOH A 313 29.804 30.090 70.057 1.00 32.81 O -HETATM 3275 O HOH A 314 17.114 35.757 39.565 1.00 43.08 O -HETATM 3276 O HOH A 315 31.483 34.449 50.425 1.00 34.86 O -HETATM 3277 O HOH A 316 16.741 37.482 65.137 1.00 38.73 O -HETATM 3278 O HOH A 317 19.853 21.931 44.903 1.00 39.51 O -HETATM 3279 O HOH A 318 26.868 18.413 58.715 1.00 34.88 O -HETATM 3280 O HOH A 319 12.505 36.455 43.611 1.00 46.75 O -HETATM 3281 O HOH A 320 22.153 29.278 34.825 1.00 43.66 O -HETATM 3282 O HOH A 321 35.251 46.261 67.652 1.00 39.02 O -HETATM 3283 O HOH A 322 36.837 38.084 43.567 1.00 43.81 O -HETATM 3284 O HOH A 323 34.046 21.497 45.048 1.00 35.29 O -HETATM 3285 O HOH A 324 40.057 34.314 65.024 1.00 57.18 O -HETATM 3286 O HOH A 325 17.101 43.986 43.812 1.00 39.39 O -HETATM 3287 O HOH A 326 33.322 39.654 40.809 1.00 41.38 O -HETATM 3288 O HOH B 237 34.529 46.233 23.434 1.00 20.41 O -HETATM 3289 O HOH B 238 41.411 45.348 25.449 1.00 22.58 O -HETATM 3290 O HOH B 239 35.315 52.345 21.269 1.00 26.07 O -HETATM 3291 O HOH B 240 41.348 33.493 2.026 1.00 25.61 O -HETATM 3292 O HOH B 241 37.316 35.697 23.652 1.00 24.41 O -HETATM 3293 O HOH B 242 38.171 49.147 26.014 1.00 24.88 O -HETATM 3294 O HOH B 243 35.863 37.011 21.550 1.00 27.27 O -HETATM 3295 O HOH B 244 32.909 40.536 27.660 1.00 28.48 O -HETATM 3296 O HOH B 245 40.609 31.191 40.399 1.00 25.35 O -HETATM 3297 O HOH B 246 33.617 36.082 -0.478 1.00 23.02 O -HETATM 3298 O HOH B 247 26.181 40.453 -0.197 1.00 30.26 O -HETATM 3299 O HOH B 248 45.351 25.806 22.372 1.00 27.59 O -HETATM 3300 O HOH B 249 23.389 44.186 3.300 1.00 30.06 O -HETATM 3301 O HOH B 250 50.837 51.671 16.905 1.00 28.30 O -HETATM 3302 O HOH B 251 32.459 39.023 15.132 1.00 25.06 O -HETATM 3303 O HOH B 252 39.285 39.643 36.077 1.00 27.57 O -HETATM 3304 O HOH B 253 38.111 37.385 35.203 1.00 26.07 O -HETATM 3305 O HOH B 254 33.764 37.152 39.702 1.00 31.51 O -HETATM 3306 O HOH B 255 31.139 39.769 17.796 1.00 29.06 O -HETATM 3307 O HOH B 256 47.116 25.752 4.671 1.00 33.47 O -HETATM 3308 O HOH B 257 52.255 50.792 14.673 1.00 31.96 O -HETATM 3309 O HOH B 258 23.183 53.436 12.561 1.00 28.62 O -HETATM 3310 O HOH B 259 40.330 48.492 24.517 1.00 26.78 O -HETATM 3311 O HOH B 260 45.219 36.068 2.360 1.00 30.00 O -HETATM 3312 O HOH B 261 29.314 43.712 -1.143 1.00 33.03 O -HETATM 3313 O HOH B 262 41.295 46.163 -0.937 1.00 33.35 O -HETATM 3314 O HOH B 263 32.218 54.965 19.225 1.00 32.28 O -HETATM 3315 O HOH B 264 50.721 35.700 32.499 1.00 30.93 O -HETATM 3316 O HOH B 265 45.022 58.013 23.473 1.00 39.30 O -HETATM 3317 O HOH B 266 25.074 38.672 8.442 1.00 31.90 O -HETATM 3318 O HOH B 267 51.699 37.949 5.112 1.00 31.51 O -HETATM 3319 O HOH B 268 34.842 50.648 -0.492 1.00 34.84 O -HETATM 3320 O HOH B 269 41.243 28.704 2.399 1.00 31.49 O -HETATM 3321 O HOH B 270 39.820 52.762 19.102 1.00 31.69 O -HETATM 3322 O HOH B 271 34.141 53.467 18.686 1.00 29.74 O -HETATM 3323 O HOH B 272 45.052 50.895 27.449 1.00 36.57 O -HETATM 3324 O HOH B 273 26.680 39.432 19.884 1.00 35.87 O -HETATM 3325 O HOH B 274 60.604 37.988 16.373 1.00 37.78 O -HETATM 3326 O HOH B 275 35.874 35.882 42.313 1.00 33.58 O -HETATM 3327 O HOH B 276 28.490 22.043 33.744 1.00 36.95 O -HETATM 3328 O HOH B 277 40.378 30.926 1.449 1.00 28.17 O -HETATM 3329 O HOH B 278 41.049 24.095 33.582 1.00 38.12 O -HETATM 3330 O HOH B 279 22.340 44.053 0.823 1.00 47.46 O -HETATM 3331 O HOH B 280 35.403 29.028 13.022 1.00 32.88 O -HETATM 3332 O HOH B 281 26.763 43.416 -0.099 1.00 30.61 O -HETATM 3333 O HOH B 282 38.312 55.113 19.141 1.00 33.66 O -HETATM 3334 O HOH B 283 37.167 41.713 29.705 1.00 41.16 O -HETATM 3335 O HOH B 284 43.358 34.759 0.498 1.00 36.72 O -HETATM 3336 O HOH B 285 43.897 24.433 37.614 1.00 35.27 O -HETATM 3337 O HOH B 286 35.761 55.405 17.705 1.00 39.18 O -HETATM 3338 O HOH B 287 32.607 21.347 33.127 1.00 34.57 O -HETATM 3339 O HOH B 288 43.733 24.814 18.872 1.00 41.29 O -HETATM 3340 O HOH B 289 38.515 32.504 12.726 1.00 39.00 O -HETATM 3341 O HOH B 290 51.526 46.178 8.436 1.00 38.78 O -HETATM 3342 O HOH B 291 44.699 30.667 41.530 1.00 34.81 O -HETATM 3343 O HOH B 292 19.857 49.290 16.276 1.00 37.83 O -HETATM 3344 O HOH B 293 45.718 22.996 4.407 1.00 45.58 O -HETATM 3345 O HOH B 294 52.112 53.734 13.645 1.00 39.80 O -HETATM 3346 O HOH B 295 40.845 25.462 45.793 1.00 33.79 O -HETATM 3347 O HOH B 296 43.185 41.259 -1.617 1.00 31.46 O -HETATM 3348 O HOH B 297 47.114 36.565 34.325 1.00 32.36 O -HETATM 3349 O HOH B 298 32.134 55.825 16.782 1.00 38.65 O -HETATM 3350 O HOH B 299 42.765 27.217 0.438 1.00 43.06 O -HETATM 3351 O HOH B 300 21.942 54.317 23.709 1.00 41.29 O -HETATM 3352 O HOH B 301 36.405 28.625 3.732 1.00 40.75 O -HETATM 3353 O HOH B 302 30.118 38.401 26.309 1.00 44.13 O -HETATM 3354 O HOH B 303 37.556 40.935 37.884 1.00 46.77 O -HETATM 3355 O HOH B 304 32.997 25.391 8.167 1.00 43.70 O -HETATM 3356 O HOH B 305 37.902 40.417 32.020 1.00 38.28 O -HETATM 3357 O HOH B 306 39.219 38.124 16.466 1.00 36.03 O -HETATM 3358 O HOH B 307 44.208 46.768 2.568 1.00 35.33 O -HETATM 3359 O HOH B 308 20.533 32.439 9.428 1.00 44.73 O -HETATM 3360 O HOH B 309 33.708 35.565 22.872 1.00 36.93 O -HETATM 3361 O HOH B 310 31.326 51.455 1.300 1.00 39.43 O -HETATM 3362 O HOH B 311 37.682 30.639 14.261 1.00 37.07 O -HETATM 3363 O HOH B 312 42.090 33.450 44.231 1.00 50.63 O -HETATM 3364 O HOH B 313 42.690 30.709 -0.269 1.00 39.01 O -HETATM 3365 O HOH B 314 35.394 24.914 15.030 1.00 48.40 O -HETATM 3366 O HOH B 315 39.042 48.676 31.938 1.00 41.14 O -HETATM 3367 O HOH B 316 41.637 46.808 32.703 1.00 39.00 O -HETATM 3368 O HOH B 317 49.060 35.618 36.712 1.00 41.70 O -HETATM 3369 O HOH B 318 35.614 31.511 3.062 1.00 44.75 O -HETATM 3370 O HOH B 319 34.914 44.034 32.204 1.00 48.83 O -HETATM 3371 O HOH B 320 47.621 34.822 2.186 1.00 38.03 O -HETATM 3372 O HOH B 321 34.566 33.770 -1.071 1.00 40.64 O -HETATM 3373 O HOH B 322 52.562 52.979 18.766 1.00 35.96 O -HETATM 3374 O HOH B 323 22.575 33.938 17.631 1.00 42.37 O -HETATM 3375 O HOH B 324 44.132 44.679 31.910 1.00 40.02 O -HETATM 3376 O HOH B 325 31.078 35.229 11.140 1.00 52.56 O -HETATM 3377 O HOH B 326 21.889 42.558 16.440 1.00 41.89 O -HETATM 3378 O HOH B 327 41.141 31.228 43.206 1.00 35.57 O -HETATM 3379 O HOH B 328 49.331 31.494 1.630 1.00 47.68 O -HETATM 3380 O HOH B 329 45.814 36.170 36.640 1.00 38.34 O -HETATM 3381 O HOH B 330 45.544 33.228 -0.455 1.00 43.72 O -HETATM 3382 O HOH B 331 38.372 57.960 7.537 1.00 43.22 O -HETATM 3383 O HOH B 332 23.153 32.563 4.779 1.00 43.98 O -HETATM 3384 O HOH B 333 32.333 32.839 0.713 1.00 59.90 O -HETATM 3385 O HOH B 334 35.068 34.320 45.549 1.00 56.79 O -HETATM 3386 O HOH B 335 34.614 26.071 18.842 1.00 49.05 O -HETATM 3387 O HOH B 336 28.636 54.984 10.986 1.00 43.01 O -HETATM 3388 O HOH B 337 33.306 57.966 9.362 1.00 51.74 O -HETATM 3389 O HOH B 338 48.081 35.769 39.183 1.00 51.14 O -HETATM 3390 O HOH B 339 38.602 27.058 3.080 1.00 43.78 O -HETATM 3391 O HOH B 340 52.941 46.039 22.263 1.00 45.31 O -HETATM 3392 O HOH B 341 48.933 53.300 23.037 1.00 42.68 O -HETATM 3393 O HOH B 342 28.207 37.727 13.908 1.00 47.80 O -HETATM 3394 O HOH B 343 35.118 39.882 36.672 1.00 39.24 O -CONECT 1212 1368 -CONECT 1368 1212 -CONECT 2798 2953 -CONECT 2953 2798 -MASTER 322 0 0 18 30 0 0 6 3373 2 4 38 -END diff --git a/inputs/inputs/1VGX.pdb b/inputs/inputs/1VGX.pdb deleted file mode 100644 index 6f14f33148e..00000000000 --- a/inputs/inputs/1VGX.pdb +++ /dev/null @@ -1,3870 +0,0 @@ -HEADER TRANSFERASE 03-NOV-03 1VGT -TITLE CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL -TITLE 2 SYNTHASE -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE; -COMPND 3 CHAIN: A, B; -COMPND 4 SYNONYM: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL SYNTHASE, MEP -COMPND 5 CYTIDYLYLTRANSFERASE, MCT, CDP-ME SYNTHETASE; -COMPND 6 EC: 2.7.7.60; -COMPND 7 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; -SOURCE 3 ORGANISM_TAXID: 562; -SOURCE 4 GENE: ISPD, B2747; -SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 -KEYWDS STRUCTURAL GENOMICS, TRANSFERASE -EXPDTA X-RAY DIFFRACTION -AUTHOR STRUCTURAL GENOMIX -REVDAT 7 27-DEC-23 1VGT 1 REMARK -REVDAT 6 04-OCT-17 1VGT 1 REMARK -REVDAT 5 13-JUL-11 1VGT 1 VERSN -REVDAT 4 24-FEB-09 1VGT 1 VERSN -REVDAT 3 30-AUG-05 1VGT 1 JRNL -REVDAT 2 30-DEC-03 1VGT 1 JRNL -REVDAT 1 25-NOV-03 1VGT 0 -JRNL AUTH J.BADGER,J.M.SAUDER,J.M.ADAMS,S.ANTONYSAMY,K.BAIN, -JRNL AUTH 2 M.G.BERGSEID,S.G.BUCHANAN,M.D.BUCHANAN,Y.BATIYENKO, -JRNL AUTH 3 J.A.CHRISTOPHER,S.EMTAGE,A.EROSHKINA,I.FEIL,E.B.FURLONG, -JRNL AUTH 4 K.S.GAJIWALA,X.GAO,D.HE,J.HENDLE,A.HUBER,K.HODA,P.KEARINS, -JRNL AUTH 5 C.KISSINGER,B.LAUBERT,H.A.LEWIS,J.LIN,K.LOOMIS,D.LORIMER, -JRNL AUTH 6 G.LOUIE,M.MALETIC,C.D.MARSH,I.MILLER,J.MOLINARI, -JRNL AUTH 7 H.J.MULLER-DIECKMANN,J.M.NEWMAN,B.W.NOLAND,B.PAGARIGAN, -JRNL AUTH 8 F.PARK,T.S.PEAT,K.W.POST,S.RADOJICIC,A.RAMOS,R.ROMERO, -JRNL AUTH 9 M.E.RUTTER,W.E.SANDERSON,K.D.SCHWINN,J.TRESSER,J.WINHOVEN, -JRNL AUTH10 T.A.WRIGHT,L.WU,J.XU,T.J.HARRIS -JRNL TITL STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING FROM A -JRNL TITL 2 BACTERIAL GENOMICS PROJECT -JRNL REF PROTEINS V. 60 787 2005 -JRNL REFN ISSN 0887-3585 -JRNL PMID 16021622 -JRNL DOI 10.1002/PROT.20541 -REMARK 2 -REMARK 2 RESOLUTION. 1.80 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 4.0 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, -REMARK 3 : NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.65 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 -REMARK 3 COMPLETENESS FOR RANGE (%) : NULL -REMARK 3 NUMBER OF REFLECTIONS : 40898 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING + TEST SET) : NULL -REMARK 3 R VALUE (WORKING SET) : 0.224 -REMARK 3 FREE R VALUE : 0.253 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : 2071 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 3176 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 0 -REMARK 3 SOLVENT ATOMS : 197 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 30.22 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : 0.93100 -REMARK 3 B22 (A**2) : 0.38600 -REMARK 3 B33 (A**2) : -1.31600 -REMARK 3 B12 (A**2) : 0.00000 -REMARK 3 B13 (A**2) : 0.00000 -REMARK 3 B23 (A**2) : 0.00000 -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): NULL -REMARK 3 ESU BASED ON FREE R VALUE (A): NULL -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA -REMARK 3 BOND LENGTH (A) : 0.028 ; NULL -REMARK 3 ANGLE DISTANCE (A) : 2.398 ; NULL -REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL -REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL -REMARK 3 -REMARK 3 PLANE RESTRAINT (A) : 0.013 ; NULL -REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.174 ; NULL -REMARK 3 -REMARK 3 NON-BONDED CONTACT RESTRAINTS. -REMARK 3 SINGLE TORSION (A) : NULL ; NULL -REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL -REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL -REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL -REMARK 3 -REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. -REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL -REMARK 3 PLANAR (DEGREES) : 2.878 ; NULL -REMARK 3 STAGGERED (DEGREES) : NULL ; NULL -REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : 2.151 ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.318 ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : 3.402 ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.985 ; NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1VGT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-NOV-03. -REMARK 100 THE DEPOSITION ID IS D_1000001852. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : NULL -REMARK 200 TEMPERATURE (KELVIN) : NULL -REMARK 200 PH : NULL -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : APS -REMARK 200 BEAMLINE : 32-ID -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL -REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795, 0.9795, 0.9641, 1.5418 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM, TRUNCATE -REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA, TRUNCATE -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40899 -REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 -REMARK 200 RESOLUTION RANGE LOW (A) : 22.650 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 -REMARK 200 DATA REDUNDANCY : 6.600 -REMARK 200 R MERGE (I) : 0.05800 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 17.9000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 -REMARK 200 COMPLETENESS FOR SHELL (%) : 96.8 -REMARK 200 DATA REDUNDANCY IN SHELL : 6.10 -REMARK 200 R MERGE FOR SHELL (I) : 0.45500 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 4.600 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: MAD -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SE-MET MAD PHASING -REMARK 200 SOFTWARE USED: NULL -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 42.64 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NULL -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 20.43300 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.19250 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.39150 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 69.19250 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.43300 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 39.39150 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC -REMARK 350 SOFTWARE USED: PISA,PQS -REMARK 350 TOTAL BURIED SURFACE AREA: 3240 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 18220 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 MET A -1 -REMARK 465 SER A 0 -REMARK 465 LEU A 1 -REMARK 465 ALA A 2 -REMARK 465 THR A 3 -REMARK 465 THR A 4 -REMARK 465 HIS A 5 -REMARK 465 GLY A 16 -REMARK 465 PHE A 17 -REMARK 465 GLY A 18 -REMARK 465 ARG A 19 -REMARK 465 ARG A 20 -REMARK 465 MET A 21 -REMARK 465 GLN A 22 -REMARK 465 THR A 23 -REMARK 465 GLU A 24 -REMARK 465 CYS A 25 -REMARK 465 PRO A 60 -REMARK 465 GLY A 61 -REMARK 465 ASP A 62 -REMARK 465 ARG A 216 -REMARK 465 PRO A 217 -REMARK 465 THR A 228 -REMARK 465 ARG A 229 -REMARK 465 THR A 230 -REMARK 465 ILE A 231 -REMARK 465 HIS A 232 -REMARK 465 GLN A 233 -REMARK 465 GLU A 234 -REMARK 465 ASN A 235 -REMARK 465 THR A 236 -REMARK 465 MET B -1 -REMARK 465 SER B 0 -REMARK 465 LEU B 1 -REMARK 465 ALA B 2 -REMARK 465 THR B 3 -REMARK 465 THR B 4 -REMARK 465 HIS B 5 -REMARK 465 ARG B 19 -REMARK 465 ARG B 20 -REMARK 465 MET B 21 -REMARK 465 GLN B 22 -REMARK 465 THR B 23 -REMARK 465 GLU B 24 -REMARK 465 CYS B 25 -REMARK 465 THR B 230 -REMARK 465 ILE B 231 -REMARK 465 HIS B 232 -REMARK 465 GLN B 233 -REMARK 465 GLU B 234 -REMARK 465 ASN B 235 -REMARK 465 THR B 236 -REMARK 470 -REMARK 470 MISSING ATOM -REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 470 I=INSERTION CODE): -REMARK 470 M RES CSSEQI ATOMS -REMARK 470 ASP A 83 CG OD1 OD2 -REMARK 470 LYS A 148 CD CE NZ -REMARK 470 GLU A 172 CD OE1 OE2 -REMARK 470 GLN A 203 CD OE1 NE2 -REMARK 470 GLU A 218 CG CD OE1 OE2 -REMARK 470 LYS B 27 CD CE NZ -REMARK 470 ARG B 64 CG CD NE CZ NH1 NH2 -REMARK 470 GLN B 67 CG CD OE1 NE2 -REMARK 470 ASP B 83 CG OD1 OD2 -REMARK 470 ASP B 98 CG OD1 OD2 -REMARK 470 GLU B 125 CG CD OE1 OE2 -REMARK 470 ARG B 128 CD NE CZ NH1 NH2 -REMARK 470 LYS B 148 CG CD CE NZ -REMARK 470 ARG B 216 NE CZ NH1 NH2 -REMARK 470 ARG B 229 NE CZ NH1 NH2 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 LEU A 103 CA - CB - CG ANGL. DEV. = 14.9 DEGREES -REMARK 500 ARG A 171 CD - NE - CZ ANGL. DEV. = 11.2 DEGREES -REMARK 500 CYS A 177 CA - CB - SG ANGL. DEV. = 11.9 DEGREES -REMARK 500 ARG A 180 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES -REMARK 500 TYR A 197 CB - CG - CD1 ANGL. DEV. = -5.5 DEGREES -REMARK 500 ARG B 53 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES -REMARK 500 ARG B 143 CD - NE - CZ ANGL. DEV. = 16.4 DEGREES -REMARK 500 ARG B 143 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 ASN A 149 57.24 -102.42 -REMARK 500 THR A 189 -77.40 -104.67 -REMARK 500 ALA B 108 32.78 -99.83 -REMARK 500 ASP B 139 -156.66 -109.71 -REMARK 500 ASN B 149 57.26 -97.94 -REMARK 500 LEU B 164 -165.96 -109.88 -REMARK 500 THR B 189 -78.44 -122.77 -REMARK 500 -REMARK 500 REMARK: NULL -DBREF 1VGT A 2 236 UNP Q46893 ISPD_ECOLI 1 235 -DBREF 1VGT B 2 236 UNP Q46893 ISPD_ECOLI 1 235 -SEQADV 1VGT MET A -1 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT SER A 0 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT LEU A 1 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT MET B -1 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT SER B 0 UNP Q46893 CLONING ARTIFACT -SEQADV 1VGT LEU B 1 UNP Q46893 CLONING ARTIFACT -SEQRES 1 A 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL -SEQRES 2 A 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU -SEQRES 3 A 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE -SEQRES 4 A 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG -SEQRES 5 A 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER -SEQRES 6 A 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE -SEQRES 7 A 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL -SEQRES 8 A 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL -SEQRES 9 A 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP -SEQRES 10 A 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG -SEQRES 11 A 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET -SEQRES 12 A 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR -SEQRES 13 A 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN -SEQRES 14 A 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG -SEQRES 15 A 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER -SEQRES 16 A 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU -SEQRES 17 A 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP -SEQRES 18 A 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS -SEQRES 19 A 238 GLN GLU ASN THR -SEQRES 1 B 238 MET SER LEU ALA THR THR HIS LEU ASP VAL CYS ALA VAL -SEQRES 2 B 238 VAL PRO ALA ALA GLY PHE GLY ARG ARG MET GLN THR GLU -SEQRES 3 B 238 CYS PRO LYS GLN TYR LEU SER ILE GLY ASN GLN THR ILE -SEQRES 4 B 238 LEU GLU HIS SER VAL HIS ALA LEU LEU ALA HIS PRO ARG -SEQRES 5 B 238 VAL LYS ARG VAL VAL ILE ALA ILE SER PRO GLY ASP SER -SEQRES 6 B 238 ARG PHE ALA GLN LEU PRO LEU ALA ASN HIS PRO GLN ILE -SEQRES 7 B 238 THR VAL VAL ASP GLY GLY ASP GLU ARG ALA ASP SER VAL -SEQRES 8 B 238 LEU ALA GLY LEU LYS ALA ALA GLY ASP ALA GLN TRP VAL -SEQRES 9 B 238 LEU VAL HIS ASP ALA ALA ARG PRO CYS LEU HIS GLN ASP -SEQRES 10 B 238 ASP LEU ALA ARG LEU LEU ALA LEU SER GLU THR SER ARG -SEQRES 11 B 238 THR GLY GLY ILE LEU ALA ALA PRO VAL ARG ASP THR MET -SEQRES 12 B 238 LYS ARG ALA GLU PRO GLY LYS ASN ALA ILE ALA HIS THR -SEQRES 13 B 238 VAL ASP ARG ASN GLY LEU TRP HIS ALA LEU THR PRO GLN -SEQRES 14 B 238 PHE PHE PRO ARG GLU LEU LEU HIS ASP CYS LEU THR ARG -SEQRES 15 B 238 ALA LEU ASN GLU GLY ALA THR ILE THR ASP GLU ALA SER -SEQRES 16 B 238 ALA LEU GLU TYR CYS GLY PHE HIS PRO GLN LEU VAL GLU -SEQRES 17 B 238 GLY ARG ALA ASP ASN ILE LYS VAL THR ARG PRO GLU ASP -SEQRES 18 B 238 LEU ALA LEU ALA GLU PHE TYR LEU THR ARG THR ILE HIS -SEQRES 19 B 238 GLN GLU ASN THR -FORMUL 3 HOH *197(H2 O) -HELIX 1 1 PRO A 26 TYR A 29 5 4 -HELIX 2 2 ILE A 37 ALA A 47 1 11 -HELIX 3 3 SER A 63 LEU A 68 1 6 -HELIX 4 4 PRO A 69 HIS A 73 5 5 -HELIX 5 5 GLU A 84 ALA A 95 1 12 -HELIX 6 6 HIS A 113 ALA A 122 1 10 -HELIX 7 7 ALA A 122 SER A 127 1 6 -HELIX 8 8 ARG A 171 GLU A 184 1 14 -HELIX 9 9 ASP A 190 GLY A 199 1 10 -HELIX 10 10 GLU A 218 LEU A 227 1 10 -HELIX 11 11 ILE B 37 ALA B 47 1 11 -HELIX 12 12 ARG B 64 HIS B 73 5 10 -HELIX 13 13 GLU B 84 LYS B 94 1 11 -HELIX 14 14 HIS B 113 ALA B 122 1 10 -HELIX 15 15 ALA B 122 SER B 127 1 6 -HELIX 16 16 ARG B 171 GLU B 184 1 14 -HELIX 17 17 ASP B 190 CYS B 198 1 9 -HELIX 18 18 GLU B 218 ARG B 229 1 12 -SHEET 1 A 7 ILE A 76 ASP A 80 0 -SHEET 2 A 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 -SHEET 3 A 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 -SHEET 4 A 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 -SHEET 5 A 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 -SHEET 6 A 7 GLY A 131 PRO A 136 -1 N ALA A 135 O HIS A 162 -SHEET 7 A 7 GLN A 203 GLU A 206 1 O VAL A 205 N ILE A 132 -SHEET 1 B 7 ILE A 76 ASP A 80 0 -SHEET 2 B 7 VAL A 51 ILE A 58 1 N ILE A 56 O THR A 77 -SHEET 3 B 7 VAL A 8 PRO A 13 1 N VAL A 12 O VAL A 55 -SHEET 4 B 7 TRP A 101 VAL A 104 1 O LEU A 103 N VAL A 11 -SHEET 5 B 7 LEU A 160 PRO A 170 -1 O GLN A 167 N VAL A 104 -SHEET 6 B 7 MET B 141 ALA B 144 -1 O LYS B 142 N TRP A 161 -SHEET 7 B 7 ILE B 151 VAL B 155 -1 O HIS B 153 N ARG B 143 -SHEET 1 C 2 SER A 31 ILE A 32 0 -SHEET 2 C 2 GLN A 35 THR A 36 -1 O GLN A 35 N ILE A 32 -SHEET 1 D 7 ILE A 151 VAL A 155 0 -SHEET 2 D 7 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 -SHEET 3 D 7 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 -SHEET 4 D 7 TRP B 101 VAL B 104 -1 N VAL B 102 O PHE B 169 -SHEET 5 D 7 VAL B 8 ALA B 14 1 N VAL B 11 O LEU B 103 -SHEET 6 D 7 VAL B 51 ILE B 58 1 O VAL B 55 N ALA B 10 -SHEET 7 D 7 ILE B 76 ASP B 80 1 O THR B 77 N ILE B 56 -SHEET 1 E 5 ILE A 151 VAL A 155 0 -SHEET 2 E 5 MET A 141 ALA A 144 -1 N ARG A 143 O HIS A 153 -SHEET 3 E 5 LEU B 160 PRO B 170 -1 O TRP B 161 N LYS A 142 -SHEET 4 E 5 GLY B 131 PRO B 136 -1 N ALA B 135 O HIS B 162 -SHEET 5 E 5 GLN B 203 GLU B 206 1 O VAL B 205 N ILE B 132 -SHEET 1 F 2 SER B 31 ILE B 32 0 -SHEET 2 F 2 GLN B 35 THR B 36 -1 O GLN B 35 N ILE B 32 -SSBOND 1 CYS A 177 CYS A 198 1555 1555 2.10 -SSBOND 2 CYS B 177 CYS B 198 1555 1555 2.85 -CISPEP 1 THR A 165 PRO A 166 0 3.49 -CISPEP 2 THR B 165 PRO B 166 0 4.29 -CRYST1 40.866 78.783 138.385 90.00 90.00 90.00 P 21 21 21 8 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.024470 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.012693 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.007226 0.00000 -ATOM 1 N LEU A 6 14.062 28.153 58.701 1.00 42.92 N -ATOM 2 CA LEU A 6 14.250 29.073 57.602 1.00 40.74 C -ATOM 3 C LEU A 6 15.174 30.233 57.953 1.00 37.63 C -ATOM 4 O LEU A 6 15.776 30.811 57.034 1.00 37.92 O -ATOM 5 CB LEU A 6 12.946 29.615 57.039 1.00 42.62 C -ATOM 6 CG LEU A 6 12.026 28.747 56.211 1.00 48.58 C -ATOM 7 CD1 LEU A 6 10.760 29.545 55.789 1.00 49.08 C -ATOM 8 CD2 LEU A 6 12.730 28.279 54.921 1.00 48.00 C -ATOM 9 N ASP A 7 15.347 30.597 59.211 1.00 35.36 N -ATOM 10 CA ASP A 7 16.219 31.721 59.539 1.00 33.08 C -ATOM 11 C ASP A 7 17.647 31.508 59.038 1.00 30.64 C -ATOM 12 O ASP A 7 18.235 30.450 59.206 1.00 31.48 O -ATOM 13 CB ASP A 7 16.298 31.960 61.046 1.00 39.91 C -ATOM 14 CG ASP A 7 14.963 32.324 61.666 1.00 45.41 C -ATOM 15 OD1 ASP A 7 14.068 32.779 60.942 1.00 42.12 O -ATOM 16 OD2 ASP A 7 14.865 32.111 62.903 1.00 51.03 O -ATOM 17 N VAL A 8 18.219 32.580 58.515 1.00 29.24 N -ATOM 18 CA VAL A 8 19.582 32.577 58.013 1.00 26.32 C -ATOM 19 C VAL A 8 20.378 33.663 58.744 1.00 26.07 C -ATOM 20 O VAL A 8 19.828 34.721 59.056 1.00 23.30 O -ATOM 21 CB VAL A 8 19.553 32.940 56.507 1.00 27.57 C -ATOM 22 CG1 VAL A 8 20.917 33.197 55.937 1.00 25.06 C -ATOM 23 CG2 VAL A 8 18.849 31.818 55.708 1.00 27.58 C -ATOM 24 N CYS A 9 21.647 33.380 59.038 1.00 22.43 N -ATOM 25 CA CYS A 9 22.489 34.415 59.632 1.00 20.76 C -ATOM 26 C CYS A 9 23.617 34.669 58.572 1.00 22.17 C -ATOM 27 O CYS A 9 24.091 33.678 58.035 1.00 22.96 O -ATOM 28 CB CYS A 9 23.172 33.926 60.913 1.00 23.02 C -ATOM 29 SG CYS A 9 24.164 35.158 61.723 1.00 21.81 S -ATOM 30 N ALA A 10 23.795 35.906 58.197 1.00 20.70 N -ATOM 31 CA ALA A 10 24.857 36.210 57.215 1.00 20.32 C -ATOM 32 C ALA A 10 26.130 36.546 57.982 1.00 21.15 C -ATOM 33 O ALA A 10 26.079 36.968 59.149 1.00 21.25 O -ATOM 34 CB ALA A 10 24.412 37.410 56.383 1.00 21.33 C -ATOM 35 N VAL A 11 27.269 36.364 57.353 1.00 19.68 N -ATOM 36 CA VAL A 11 28.560 36.673 57.937 1.00 20.51 C -ATOM 37 C VAL A 11 29.330 37.507 56.877 1.00 23.30 C -ATOM 38 O VAL A 11 29.366 37.053 55.730 1.00 21.76 O -ATOM 39 CB VAL A 11 29.371 35.442 58.295 1.00 21.79 C -ATOM 40 CG1 VAL A 11 30.808 35.768 58.680 1.00 20.65 C -ATOM 41 CG2 VAL A 11 28.700 34.707 59.476 1.00 21.30 C -ATOM 42 N VAL A 12 29.839 38.650 57.318 1.00 21.83 N -ATOM 43 CA VAL A 12 30.615 39.489 56.374 1.00 23.64 C -ATOM 44 C VAL A 12 32.010 39.602 56.958 1.00 28.72 C -ATOM 45 O VAL A 12 32.194 40.293 57.986 1.00 30.27 O -ATOM 46 CB VAL A 12 30.006 40.872 56.176 1.00 26.69 C -ATOM 47 CG1 VAL A 12 30.849 41.745 55.203 1.00 24.66 C -ATOM 48 CG2 VAL A 12 28.598 40.783 55.611 1.00 24.43 C -ATOM 49 N PRO A 13 32.979 38.927 56.387 1.00 27.83 N -ATOM 50 CA PRO A 13 34.358 39.022 56.922 1.00 31.17 C -ATOM 51 C PRO A 13 34.880 40.386 56.541 1.00 33.27 C -ATOM 52 O PRO A 13 34.938 40.764 55.378 1.00 34.75 O -ATOM 53 CB PRO A 13 35.049 37.840 56.313 1.00 31.04 C -ATOM 54 CG PRO A 13 34.195 37.278 55.269 1.00 27.98 C -ATOM 55 CD PRO A 13 32.901 38.061 55.206 1.00 30.65 C -ATOM 56 N ALA A 14 35.172 41.259 57.521 1.00 36.76 N -ATOM 57 CA ALA A 14 35.593 42.618 57.176 1.00 40.08 C -ATOM 58 C ALA A 14 36.796 43.108 57.946 1.00 42.28 C -ATOM 59 O ALA A 14 36.921 44.309 58.225 1.00 43.55 O -ATOM 60 CB ALA A 14 34.401 43.555 57.347 1.00 37.20 C -ATOM 61 N ALA A 15 37.704 42.194 58.311 1.00 43.70 N -ATOM 62 CA ALA A 15 38.889 42.580 59.077 1.00 45.75 C -ATOM 63 C ALA A 15 40.148 42.616 58.211 1.00 48.62 C -ATOM 64 O ALA A 15 40.094 42.371 56.995 1.00 50.27 O -ATOM 65 CB ALA A 15 39.093 41.598 60.227 1.00 46.95 C -ATOM 66 N PRO A 26 40.471 49.533 53.116 1.00 48.01 N -ATOM 67 CA PRO A 26 39.555 50.648 52.914 1.00 46.95 C -ATOM 68 C PRO A 26 38.569 50.451 51.814 1.00 43.12 C -ATOM 69 O PRO A 26 37.569 51.187 51.731 1.00 41.74 O -ATOM 70 CB PRO A 26 40.541 51.775 52.542 1.00 48.84 C -ATOM 71 CG PRO A 26 41.722 51.509 53.392 1.00 49.92 C -ATOM 72 CD PRO A 26 41.686 50.069 53.821 1.00 50.28 C -ATOM 73 N LYS A 27 38.763 49.451 50.926 1.00 39.80 N -ATOM 74 CA LYS A 27 37.774 49.319 49.847 1.00 37.54 C -ATOM 75 C LYS A 27 36.351 49.369 50.315 1.00 33.88 C -ATOM 76 O LYS A 27 35.518 50.143 49.837 1.00 34.01 O -ATOM 77 CB LYS A 27 38.070 48.092 48.974 1.00 41.12 C -ATOM 78 CG LYS A 27 39.320 48.291 48.103 1.00 47.56 C -ATOM 79 CD LYS A 27 39.255 49.619 47.352 1.00 48.51 C -ATOM 80 CE LYS A 27 40.613 50.048 46.835 1.00 53.82 C -ATOM 81 NZ LYS A 27 41.738 49.528 47.669 1.00 55.97 N -ATOM 82 N GLN A 28 35.998 48.623 51.371 1.00 35.18 N -ATOM 83 CA GLN A 28 34.642 48.612 51.870 1.00 35.98 C -ATOM 84 C GLN A 28 34.276 49.915 52.583 1.00 34.55 C -ATOM 85 O GLN A 28 33.102 50.153 52.823 1.00 33.76 O -ATOM 86 CB GLN A 28 34.424 47.418 52.811 1.00 40.38 C -ATOM 87 CG GLN A 28 35.011 47.637 54.195 1.00 45.79 C -ATOM 88 CD GLN A 28 36.424 47.122 54.295 1.00 51.58 C -ATOM 89 OE1 GLN A 28 37.246 47.369 53.402 1.00 58.72 O -ATOM 90 NE2 GLN A 28 36.702 46.379 55.362 1.00 53.77 N -ATOM 91 N TYR A 29 35.263 50.777 52.811 1.00 35.63 N -ATOM 92 CA TYR A 29 34.984 52.065 53.459 1.00 37.51 C -ATOM 93 C TYR A 29 34.909 53.196 52.470 1.00 39.63 C -ATOM 94 O TYR A 29 34.765 54.369 52.817 1.00 40.92 O -ATOM 95 CB TYR A 29 35.959 52.302 54.607 1.00 37.98 C -ATOM 96 CG TYR A 29 35.770 51.337 55.768 1.00 37.37 C -ATOM 97 CD1 TYR A 29 36.864 50.803 56.425 1.00 36.72 C -ATOM 98 CD2 TYR A 29 34.502 50.976 56.184 1.00 36.22 C -ATOM 99 CE1 TYR A 29 36.682 49.896 57.477 1.00 40.68 C -ATOM 100 CE2 TYR A 29 34.312 50.086 57.224 1.00 38.28 C -ATOM 101 CZ TYR A 29 35.407 49.562 57.869 1.00 38.96 C -ATOM 102 OH TYR A 29 35.199 48.694 58.908 1.00 44.10 O -ATOM 103 N LEU A 30 34.967 52.869 51.164 1.00 40.51 N -ATOM 104 CA LEU A 30 34.800 53.887 50.120 1.00 39.07 C -ATOM 105 C LEU A 30 33.295 54.172 50.068 1.00 40.41 C -ATOM 106 O LEU A 30 32.534 53.320 50.529 1.00 39.58 O -ATOM 107 CB LEU A 30 35.317 53.436 48.783 1.00 37.56 C -ATOM 108 CG LEU A 30 36.830 53.203 48.658 1.00 40.11 C -ATOM 109 CD1 LEU A 30 37.145 52.571 47.307 1.00 38.72 C -ATOM 110 CD2 LEU A 30 37.567 54.534 48.822 1.00 43.54 C -ATOM 111 N SER A 31 32.866 55.299 49.527 1.00 40.29 N -ATOM 112 CA SER A 31 31.454 55.620 49.540 1.00 40.19 C -ATOM 113 C SER A 31 30.831 55.869 48.185 1.00 41.90 C -ATOM 114 O SER A 31 31.418 56.398 47.258 1.00 42.47 O -ATOM 115 CB SER A 31 31.213 56.889 50.396 1.00 43.79 C -ATOM 116 OG SER A 31 31.289 56.599 51.775 1.00 47.84 O -ATOM 117 N ILE A 32 29.554 55.529 48.114 1.00 41.34 N -ATOM 118 CA ILE A 32 28.716 55.715 46.969 1.00 43.56 C -ATOM 119 C ILE A 32 27.380 56.275 47.488 1.00 44.17 C -ATOM 120 O ILE A 32 26.647 55.593 48.191 1.00 42.60 O -ATOM 121 CB ILE A 32 28.473 54.448 46.142 1.00 43.22 C -ATOM 122 CG1 ILE A 32 29.761 53.964 45.477 1.00 44.56 C -ATOM 123 CG2 ILE A 32 27.400 54.719 45.092 1.00 45.58 C -ATOM 124 CD1 ILE A 32 29.630 52.661 44.717 1.00 45.28 C -ATOM 125 N GLY A 33 27.175 57.566 47.208 1.00 43.72 N -ATOM 126 CA GLY A 33 25.941 58.207 47.686 1.00 44.40 C -ATOM 127 C GLY A 33 26.098 58.461 49.181 1.00 44.98 C -ATOM 128 O GLY A 33 27.204 58.759 49.644 1.00 44.29 O -ATOM 129 N ASN A 34 25.057 58.211 49.957 1.00 47.11 N -ATOM 130 CA ASN A 34 25.104 58.441 51.394 1.00 51.08 C -ATOM 131 C ASN A 34 25.772 57.354 52.192 1.00 50.03 C -ATOM 132 O ASN A 34 25.687 57.343 53.435 1.00 51.75 O -ATOM 133 CB ASN A 34 23.636 58.592 51.896 1.00 58.30 C -ATOM 134 CG ASN A 34 22.694 57.553 51.343 1.00 64.14 C -ATOM 135 OD1 ASN A 34 23.064 56.646 50.588 1.00 69.65 O -ATOM 136 ND2 ASN A 34 21.413 57.664 51.719 1.00 67.38 N -ATOM 137 N GLN A 35 26.288 56.298 51.532 1.00 48.28 N -ATOM 138 CA GLN A 35 26.793 55.154 52.284 1.00 44.54 C -ATOM 139 C GLN A 35 28.072 54.518 51.805 1.00 42.00 C -ATOM 140 O GLN A 35 28.410 54.557 50.622 1.00 40.63 O -ATOM 141 CB GLN A 35 25.662 54.069 52.223 1.00 48.13 C -ATOM 142 CG GLN A 35 24.290 54.594 52.523 1.00 52.20 C -ATOM 143 CD GLN A 35 23.125 53.676 52.492 1.00 57.02 C -ATOM 144 OE1 GLN A 35 22.079 53.929 53.118 1.00 59.31 O -ATOM 145 NE2 GLN A 35 23.229 52.559 51.774 1.00 58.90 N -ATOM 146 N THR A 36 28.772 53.861 52.734 1.00 37.41 N -ATOM 147 CA THR A 36 29.999 53.162 52.448 1.00 34.94 C -ATOM 148 C THR A 36 29.612 51.853 51.690 1.00 33.89 C -ATOM 149 O THR A 36 28.449 51.485 51.689 1.00 31.24 O -ATOM 150 CB THR A 36 30.875 52.795 53.624 1.00 36.54 C -ATOM 151 OG1 THR A 36 30.254 51.834 54.493 1.00 31.74 O -ATOM 152 CG2 THR A 36 31.236 54.039 54.451 1.00 36.21 C -ATOM 153 N ILE A 37 30.610 51.305 51.033 1.00 32.88 N -ATOM 154 CA ILE A 37 30.347 50.075 50.238 1.00 28.92 C -ATOM 155 C ILE A 37 29.846 48.989 51.200 1.00 30.15 C -ATOM 156 O ILE A 37 28.819 48.376 50.908 1.00 30.44 O -ATOM 157 CB ILE A 37 31.580 49.647 49.475 1.00 29.50 C -ATOM 158 CG1 ILE A 37 31.981 50.727 48.451 1.00 31.17 C -ATOM 159 CG2 ILE A 37 31.308 48.313 48.746 1.00 30.72 C -ATOM 160 CD1 ILE A 37 31.063 50.858 47.264 1.00 32.08 C -ATOM 161 N LEU A 38 30.521 48.834 52.329 1.00 29.72 N -ATOM 162 CA LEU A 38 30.119 47.886 53.363 1.00 27.90 C -ATOM 163 C LEU A 38 28.642 48.050 53.688 1.00 28.20 C -ATOM 164 O LEU A 38 27.896 47.063 53.816 1.00 27.48 O -ATOM 165 CB LEU A 38 30.969 48.049 54.623 1.00 30.95 C -ATOM 166 CG LEU A 38 30.576 47.112 55.800 1.00 30.46 C -ATOM 167 CD1 LEU A 38 30.749 45.663 55.412 1.00 22.99 C -ATOM 168 CD2 LEU A 38 31.378 47.461 57.037 1.00 30.02 C -ATOM 169 N GLU A 39 28.155 49.289 53.874 1.00 28.38 N -ATOM 170 CA GLU A 39 26.725 49.468 54.195 1.00 27.68 C -ATOM 171 C GLU A 39 25.814 49.014 53.098 1.00 27.58 C -ATOM 172 O GLU A 39 24.706 48.516 53.283 1.00 27.83 O -ATOM 173 CB GLU A 39 26.447 50.965 54.525 1.00 32.94 C -ATOM 174 CG GLU A 39 27.153 51.448 55.788 1.00 33.26 C -ATOM 175 CD GLU A 39 27.178 52.979 55.886 1.00 37.51 C -ATOM 176 OE1 GLU A 39 28.137 53.623 55.415 1.00 33.33 O -ATOM 177 OE2 GLU A 39 26.206 53.538 56.443 1.00 41.17 O -ATOM 178 N HIS A 40 26.175 49.287 51.819 1.00 26.22 N -ATOM 179 CA HIS A 40 25.429 48.892 50.679 1.00 28.24 C -ATOM 180 C HIS A 40 25.347 47.326 50.665 1.00 24.65 C -ATOM 181 O HIS A 40 24.295 46.809 50.393 1.00 27.82 O -ATOM 182 CB HIS A 40 26.099 49.344 49.358 1.00 28.55 C -ATOM 183 CG HIS A 40 25.939 50.815 49.080 1.00 29.88 C -ATOM 184 ND1 HIS A 40 24.759 51.372 48.706 1.00 33.53 N -ATOM 185 CD2 HIS A 40 26.835 51.823 49.080 1.00 30.91 C -ATOM 186 CE1 HIS A 40 24.901 52.669 48.503 1.00 34.34 C -ATOM 187 NE2 HIS A 40 26.179 52.967 48.738 1.00 29.90 N -ATOM 188 N SER A 41 26.462 46.720 50.897 1.00 27.07 N -ATOM 189 CA SER A 41 26.566 45.236 50.903 1.00 25.76 C -ATOM 190 C SER A 41 25.724 44.658 52.029 1.00 26.72 C -ATOM 191 O SER A 41 24.880 43.809 51.822 1.00 27.35 O -ATOM 192 CB SER A 41 28.015 44.851 51.077 1.00 26.97 C -ATOM 193 OG SER A 41 28.172 43.464 51.344 1.00 34.42 O -ATOM 194 N VAL A 42 25.847 45.261 53.220 1.00 28.47 N -ATOM 195 CA VAL A 42 25.025 44.742 54.347 1.00 27.51 C -ATOM 196 C VAL A 42 23.546 44.915 54.106 1.00 28.30 C -ATOM 197 O VAL A 42 22.701 44.048 54.371 1.00 25.51 O -ATOM 198 CB VAL A 42 25.459 45.381 55.656 1.00 29.28 C -ATOM 199 CG1 VAL A 42 24.489 45.007 56.787 1.00 33.72 C -ATOM 200 CG2 VAL A 42 26.884 45.061 56.034 1.00 29.96 C -ATOM 201 N HIS A 43 23.126 46.097 53.662 1.00 29.02 N -ATOM 202 CA HIS A 43 21.716 46.362 53.407 1.00 30.86 C -ATOM 203 C HIS A 43 21.124 45.459 52.359 1.00 27.92 C -ATOM 204 O HIS A 43 19.963 45.091 52.418 1.00 27.71 O -ATOM 205 CB HIS A 43 21.531 47.853 53.020 1.00 37.84 C -ATOM 206 CG HIS A 43 21.560 48.722 54.243 1.00 43.72 C -ATOM 207 ND1 HIS A 43 22.410 49.790 54.391 1.00 46.93 N -ATOM 208 CD2 HIS A 43 20.841 48.635 55.399 1.00 42.69 C -ATOM 209 CE1 HIS A 43 22.214 50.334 55.581 1.00 48.92 C -ATOM 210 NE2 HIS A 43 21.269 49.650 56.204 1.00 47.14 N -ATOM 211 N ALA A 44 21.952 45.011 51.393 1.00 27.80 N -ATOM 212 CA ALA A 44 21.406 44.101 50.376 1.00 28.50 C -ATOM 213 C ALA A 44 21.083 42.766 51.016 1.00 25.74 C -ATOM 214 O ALA A 44 20.161 42.049 50.605 1.00 27.86 O -ATOM 215 CB ALA A 44 22.467 43.936 49.271 1.00 27.17 C -ATOM 216 N LEU A 45 21.906 42.365 51.984 1.00 24.10 N -ATOM 217 CA LEU A 45 21.679 41.071 52.654 1.00 22.81 C -ATOM 218 C LEU A 45 20.436 41.173 53.548 1.00 24.68 C -ATOM 219 O LEU A 45 19.571 40.294 53.543 1.00 25.64 O -ATOM 220 CB LEU A 45 22.906 40.744 53.539 1.00 22.89 C -ATOM 221 CG LEU A 45 24.232 40.466 52.829 1.00 25.94 C -ATOM 222 CD1 LEU A 45 25.411 40.363 53.800 1.00 22.96 C -ATOM 223 CD2 LEU A 45 24.154 39.175 52.012 1.00 25.03 C -ATOM 224 N LEU A 46 20.336 42.301 54.254 1.00 25.53 N -ATOM 225 CA LEU A 46 19.218 42.532 55.187 1.00 29.86 C -ATOM 226 C LEU A 46 17.880 42.734 54.494 1.00 32.45 C -ATOM 227 O LEU A 46 16.811 42.530 55.086 1.00 31.86 O -ATOM 228 CB LEU A 46 19.534 43.729 56.085 1.00 28.35 C -ATOM 229 CG LEU A 46 20.565 43.604 57.189 1.00 30.58 C -ATOM 230 CD1 LEU A 46 20.824 44.968 57.852 1.00 31.14 C -ATOM 231 CD2 LEU A 46 20.090 42.608 58.243 1.00 34.76 C -ATOM 232 N ALA A 47 17.899 43.009 53.188 1.00 34.42 N -ATOM 233 CA ALA A 47 16.704 43.175 52.386 1.00 35.14 C -ATOM 234 C ALA A 47 15.874 41.922 52.252 1.00 35.20 C -ATOM 235 O ALA A 47 14.643 41.969 52.052 1.00 37.04 O -ATOM 236 CB ALA A 47 17.041 43.761 51.025 1.00 37.55 C -ATOM 237 N HIS A 48 16.474 40.738 52.372 1.00 34.03 N -ATOM 238 CA HIS A 48 15.681 39.504 52.266 1.00 32.74 C -ATOM 239 C HIS A 48 15.187 39.139 53.667 1.00 35.25 C -ATOM 240 O HIS A 48 15.993 39.120 54.602 1.00 32.95 O -ATOM 241 CB HIS A 48 16.565 38.365 51.745 1.00 31.33 C -ATOM 242 CG HIS A 48 15.763 37.175 51.350 1.00 32.45 C -ATOM 243 ND1 HIS A 48 15.156 36.329 52.236 1.00 30.75 N -ATOM 244 CD2 HIS A 48 15.459 36.704 50.104 1.00 35.76 C -ATOM 245 CE1 HIS A 48 14.528 35.361 51.590 1.00 32.63 C -ATOM 246 NE2 HIS A 48 14.714 35.572 50.288 1.00 35.24 N -ATOM 247 N PRO A 49 13.923 38.784 53.797 1.00 35.51 N -ATOM 248 CA PRO A 49 13.320 38.482 55.074 1.00 34.76 C -ATOM 249 C PRO A 49 13.896 37.306 55.799 1.00 34.41 C -ATOM 250 O PRO A 49 13.807 37.260 57.040 1.00 33.71 O -ATOM 251 CB PRO A 49 11.841 38.291 54.780 1.00 37.16 C -ATOM 252 CG PRO A 49 11.730 38.137 53.321 1.00 36.82 C -ATOM 253 CD PRO A 49 12.930 38.765 52.693 1.00 38.02 C -ATOM 254 N ARG A 50 14.509 36.334 55.106 1.00 30.12 N -ATOM 255 CA ARG A 50 15.078 35.209 55.854 1.00 29.25 C -ATOM 256 C ARG A 50 16.384 35.636 56.516 1.00 25.95 C -ATOM 257 O ARG A 50 16.875 34.937 57.395 1.00 26.82 O -ATOM 258 CB ARG A 50 15.334 33.999 54.955 1.00 26.77 C -ATOM 259 CG ARG A 50 14.120 33.206 54.534 1.00 30.75 C -ATOM 260 CD ARG A 50 14.514 32.031 53.621 1.00 27.88 C -ATOM 261 NE ARG A 50 15.343 31.063 54.359 1.00 30.45 N -ATOM 262 CZ ARG A 50 15.978 30.061 53.735 1.00 29.36 C -ATOM 263 NH1 ARG A 50 16.722 29.218 54.449 1.00 26.33 N -ATOM 264 NH2 ARG A 50 15.845 29.883 52.422 1.00 30.86 N -ATOM 265 N VAL A 51 17.025 36.734 56.053 1.00 25.65 N -ATOM 266 CA VAL A 51 18.308 37.060 56.702 1.00 25.37 C -ATOM 267 C VAL A 51 18.054 37.975 57.882 1.00 25.62 C -ATOM 268 O VAL A 51 18.033 39.190 57.821 1.00 26.92 O -ATOM 269 CB VAL A 51 19.478 37.277 55.835 1.00 32.11 C -ATOM 270 CG1 VAL A 51 19.235 37.031 54.355 1.00 25.93 C -ATOM 271 CG2 VAL A 51 20.404 38.408 56.122 1.00 28.20 C -ATOM 272 N LYS A 52 17.900 37.300 59.036 1.00 25.74 N -ATOM 273 CA LYS A 52 17.513 38.027 60.260 1.00 26.48 C -ATOM 274 C LYS A 52 18.639 38.808 60.883 1.00 26.83 C -ATOM 275 O LYS A 52 18.452 39.831 61.571 1.00 26.09 O -ATOM 276 CB LYS A 52 16.968 36.995 61.237 1.00 28.86 C -ATOM 277 CG LYS A 52 15.868 36.106 60.658 1.00 32.00 C -ATOM 278 CD LYS A 52 14.566 36.856 60.488 1.00 38.78 C -ATOM 279 CE LYS A 52 13.435 35.915 60.043 1.00 37.45 C -ATOM 280 NZ LYS A 52 12.848 35.246 61.268 1.00 43.09 N -ATOM 281 N ARG A 53 19.861 38.289 60.715 1.00 25.14 N -ATOM 282 CA ARG A 53 21.010 38.957 61.341 1.00 21.90 C -ATOM 283 C ARG A 53 22.216 38.928 60.401 1.00 23.95 C -ATOM 284 O ARG A 53 22.337 38.016 59.589 1.00 24.11 O -ATOM 285 CB ARG A 53 21.424 38.092 62.573 1.00 22.11 C -ATOM 286 CG ARG A 53 20.332 37.889 63.593 1.00 22.73 C -ATOM 287 CD ARG A 53 20.801 37.000 64.789 1.00 26.41 C -ATOM 288 NE ARG A 53 22.064 37.620 65.314 1.00 24.05 N -ATOM 289 CZ ARG A 53 23.062 36.835 65.697 1.00 20.81 C -ATOM 290 NH1 ARG A 53 24.204 37.354 66.131 1.00 22.43 N -ATOM 291 NH2 ARG A 53 22.881 35.503 65.675 1.00 22.67 N -ATOM 292 N VAL A 54 23.061 39.925 60.593 1.00 22.84 N -ATOM 293 CA VAL A 54 24.317 39.986 59.850 1.00 23.78 C -ATOM 294 C VAL A 54 25.443 40.136 60.901 1.00 23.00 C -ATOM 295 O VAL A 54 25.371 41.027 61.745 1.00 25.61 O -ATOM 296 CB VAL A 54 24.394 41.156 58.880 1.00 25.85 C -ATOM 297 CG1 VAL A 54 25.804 41.197 58.265 1.00 24.88 C -ATOM 298 CG2 VAL A 54 23.370 41.040 57.759 1.00 25.49 C -ATOM 299 N VAL A 55 26.355 39.192 60.898 1.00 22.02 N -ATOM 300 CA VAL A 55 27.527 39.242 61.785 1.00 21.32 C -ATOM 301 C VAL A 55 28.688 39.845 60.980 1.00 25.02 C -ATOM 302 O VAL A 55 28.987 39.294 59.895 1.00 23.43 O -ATOM 303 CB VAL A 55 27.908 37.854 62.262 1.00 22.47 C -ATOM 304 CG1 VAL A 55 29.187 37.883 63.139 1.00 20.74 C -ATOM 305 CG2 VAL A 55 26.788 37.208 63.094 1.00 20.35 C -ATOM 306 N ILE A 56 29.282 40.922 61.422 1.00 22.60 N -ATOM 307 CA ILE A 56 30.400 41.532 60.691 1.00 25.01 C -ATOM 308 C ILE A 56 31.680 41.309 61.477 1.00 24.79 C -ATOM 309 O ILE A 56 31.716 41.560 62.700 1.00 26.00 O -ATOM 310 CB ILE A 56 30.185 43.034 60.454 1.00 22.45 C -ATOM 311 CG1 ILE A 56 28.843 43.255 59.736 1.00 21.25 C -ATOM 312 CG2 ILE A 56 31.328 43.624 59.641 1.00 23.53 C -ATOM 313 CD1 ILE A 56 28.373 44.664 59.600 1.00 25.02 C -ATOM 314 N ALA A 57 32.670 40.691 60.837 1.00 24.87 N -ATOM 315 CA ALA A 57 33.959 40.485 61.579 1.00 27.69 C -ATOM 316 C ALA A 57 34.796 41.734 61.367 1.00 31.23 C -ATOM 317 O ALA A 57 35.038 42.121 60.194 1.00 29.45 O -ATOM 318 CB ALA A 57 34.650 39.244 61.056 1.00 31.60 C -ATOM 319 N ILE A 58 35.214 42.377 62.447 1.00 29.37 N -ATOM 320 CA ILE A 58 35.972 43.630 62.354 1.00 35.32 C -ATOM 321 C ILE A 58 37.282 43.517 63.118 1.00 36.76 C -ATOM 322 O ILE A 58 37.396 42.776 64.098 1.00 36.78 O -ATOM 323 CB ILE A 58 35.112 44.751 62.980 1.00 33.86 C -ATOM 324 CG1 ILE A 58 33.930 45.103 62.062 1.00 32.10 C -ATOM 325 CG2 ILE A 58 35.902 45.983 63.333 1.00 35.74 C -ATOM 326 CD1 ILE A 58 34.309 45.509 60.657 1.00 32.50 C -ATOM 327 N SER A 59 38.328 44.169 62.613 1.00 41.28 N -ATOM 328 CA SER A 59 39.610 44.096 63.359 1.00 45.65 C -ATOM 329 C SER A 59 39.615 45.172 64.454 1.00 46.42 C -ATOM 330 O SER A 59 39.121 46.279 64.177 1.00 46.09 O -ATOM 331 CB SER A 59 40.768 44.293 62.399 1.00 51.23 C -ATOM 332 OG SER A 59 40.355 45.054 61.271 1.00 57.04 O -ATOM 333 N SER A 63 38.449 53.747 65.178 1.00 57.66 N -ATOM 334 CA SER A 63 38.424 52.916 63.976 1.00 56.69 C -ATOM 335 C SER A 63 37.224 53.263 63.094 1.00 55.37 C -ATOM 336 O SER A 63 36.149 53.586 63.601 1.00 55.52 O -ATOM 337 CB SER A 63 38.421 51.435 64.357 1.00 58.45 C -ATOM 338 OG SER A 63 38.770 50.609 63.272 1.00 59.78 O -ATOM 339 N ARG A 64 37.400 53.100 61.792 1.00 53.57 N -ATOM 340 CA ARG A 64 36.420 53.406 60.767 1.00 50.33 C -ATOM 341 C ARG A 64 35.056 52.793 60.999 1.00 48.56 C -ATOM 342 O ARG A 64 34.034 53.509 60.938 1.00 48.61 O -ATOM 343 CB AARG A 64 36.977 52.977 59.398 0.65 51.50 C -ATOM 344 CB BARG A 64 36.985 52.990 59.394 0.35 47.75 C -ATOM 345 CG AARG A 64 36.380 53.705 58.229 0.65 51.33 C -ATOM 346 CG BARG A 64 36.425 53.747 58.211 0.35 46.22 C -ATOM 347 CD AARG A 64 37.120 55.020 57.931 0.65 51.34 C -ATOM 348 CD BARG A 64 37.047 55.108 58.027 0.35 44.91 C -ATOM 349 NE AARG A 64 36.474 55.658 56.764 0.65 49.41 N -ATOM 350 NE BARG A 64 38.028 55.202 56.966 0.35 43.58 N -ATOM 351 CZ AARG A 64 35.223 56.112 56.824 0.65 50.14 C -ATOM 352 CZ BARG A 64 39.320 54.936 57.062 0.35 42.83 C -ATOM 353 NH1AARG A 64 34.658 56.673 55.764 0.65 52.22 N -ATOM 354 NH1BARG A 64 40.118 55.072 56.008 0.35 43.34 N -ATOM 355 NH2AARG A 64 34.523 56.028 57.948 0.65 49.19 N -ATOM 356 NH2BARG A 64 39.837 54.540 58.218 0.35 42.64 N -ATOM 357 N PHE A 65 34.950 51.509 61.327 1.00 48.22 N -ATOM 358 CA PHE A 65 33.670 50.866 61.546 1.00 44.45 C -ATOM 359 C PHE A 65 32.796 51.514 62.601 1.00 45.08 C -ATOM 360 O PHE A 65 31.562 51.600 62.477 1.00 44.20 O -ATOM 361 CB PHE A 65 33.862 49.375 61.924 1.00 42.26 C -ATOM 362 CG PHE A 65 32.506 48.705 62.020 1.00 41.40 C -ATOM 363 CD1 PHE A 65 31.930 48.463 63.257 1.00 40.92 C -ATOM 364 CD2 PHE A 65 31.803 48.370 60.879 1.00 36.95 C -ATOM 365 CE1 PHE A 65 30.679 47.870 63.330 1.00 40.53 C -ATOM 366 CE2 PHE A 65 30.562 47.789 60.943 1.00 37.79 C -ATOM 367 CZ PHE A 65 29.993 47.529 62.189 1.00 41.21 C -ATOM 368 N ALA A 66 33.402 51.917 63.705 1.00 46.43 N -ATOM 369 CA ALA A 66 32.683 52.542 64.798 1.00 46.39 C -ATOM 370 C ALA A 66 31.947 53.806 64.450 1.00 46.07 C -ATOM 371 O ALA A 66 30.883 54.070 65.044 1.00 47.11 O -ATOM 372 CB ALA A 66 33.625 52.753 65.981 1.00 47.78 C -ATOM 373 N GLN A 67 32.362 54.592 63.457 1.00 45.11 N -ATOM 374 CA GLN A 67 31.661 55.830 63.122 1.00 42.66 C -ATOM 375 C GLN A 67 30.407 55.597 62.313 1.00 41.33 C -ATOM 376 O GLN A 67 29.495 56.425 62.235 1.00 40.86 O -ATOM 377 CB GLN A 67 32.622 56.789 62.415 1.00 49.11 C -ATOM 378 CG GLN A 67 32.612 56.711 60.898 1.00 57.07 C -ATOM 379 CD GLN A 67 31.561 57.578 60.248 1.00 55.36 C -ATOM 380 OE1 GLN A 67 31.281 57.482 59.054 1.00 58.86 O -ATOM 381 NE2 GLN A 67 30.927 58.451 61.032 1.00 59.97 N -ATOM 382 N LEU A 68 30.303 54.418 61.692 1.00 38.03 N -ATOM 383 CA LEU A 68 29.165 54.068 60.866 1.00 34.81 C -ATOM 384 C LEU A 68 27.957 53.716 61.701 1.00 35.44 C -ATOM 385 O LEU A 68 28.119 53.213 62.817 1.00 35.64 O -ATOM 386 CB LEU A 68 29.589 52.763 60.098 1.00 35.45 C -ATOM 387 CG LEU A 68 30.442 52.942 58.863 1.00 39.16 C -ATOM 388 CD1 LEU A 68 31.737 53.678 59.100 1.00 39.58 C -ATOM 389 CD2 LEU A 68 30.738 51.546 58.234 1.00 29.74 C -ATOM 390 N PRO A 69 26.744 53.871 61.175 1.00 36.89 N -ATOM 391 CA PRO A 69 25.556 53.502 61.912 1.00 38.44 C -ATOM 392 C PRO A 69 25.332 51.999 61.991 1.00 39.85 C -ATOM 393 O PRO A 69 24.430 51.547 62.717 1.00 41.77 O -ATOM 394 CB PRO A 69 24.419 54.170 61.179 1.00 38.59 C -ATOM 395 CG PRO A 69 24.938 54.678 59.900 1.00 40.27 C -ATOM 396 CD PRO A 69 26.430 54.533 59.897 1.00 39.15 C -ATOM 397 N LEU A 70 26.123 51.187 61.288 1.00 40.27 N -ATOM 398 CA LEU A 70 25.984 49.738 61.317 1.00 39.77 C -ATOM 399 C LEU A 70 26.169 49.161 62.700 1.00 41.87 C -ATOM 400 O LEU A 70 25.499 48.207 63.112 1.00 41.16 O -ATOM 401 CB LEU A 70 27.029 49.118 60.364 1.00 40.94 C -ATOM 402 CG LEU A 70 26.566 48.593 59.017 1.00 40.79 C -ATOM 403 CD1 LEU A 70 25.239 49.115 58.560 1.00 38.43 C -ATOM 404 CD2 LEU A 70 27.662 48.791 57.974 1.00 41.77 C -ATOM 405 N ALA A 71 27.126 49.686 63.445 1.00 43.85 N -ATOM 406 CA ALA A 71 27.456 49.286 64.782 1.00 46.11 C -ATOM 407 C ALA A 71 26.266 49.216 65.729 1.00 46.25 C -ATOM 408 O ALA A 71 26.140 48.261 66.511 1.00 47.89 O -ATOM 409 CB ALA A 71 28.473 50.315 65.332 1.00 48.60 C -ATOM 410 N ASN A 72 25.347 50.161 65.630 1.00 44.89 N -ATOM 411 CA ASN A 72 24.189 50.199 66.520 1.00 43.59 C -ATOM 412 C ASN A 72 22.927 49.672 65.884 1.00 40.78 C -ATOM 413 O ASN A 72 21.841 49.842 66.450 1.00 42.52 O -ATOM 414 CB ASN A 72 23.990 51.669 66.964 1.00 48.53 C -ATOM 415 CG ASN A 72 23.792 51.817 68.451 1.00 51.18 C -ATOM 416 OD1 ASN A 72 23.366 50.900 69.162 1.00 48.06 O -ATOM 417 ND2 ASN A 72 24.123 53.003 68.980 1.00 54.95 N -ATOM 418 N HIS A 73 23.014 48.958 64.761 1.00 36.78 N -ATOM 419 CA HIS A 73 21.771 48.457 64.113 1.00 32.82 C -ATOM 420 C HIS A 73 21.284 47.263 64.905 1.00 31.94 C -ATOM 421 O HIS A 73 22.098 46.419 65.299 1.00 29.25 O -ATOM 422 CB HIS A 73 22.086 48.146 62.648 1.00 29.36 C -ATOM 423 CG HIS A 73 20.942 47.653 61.823 1.00 26.88 C -ATOM 424 ND1 HIS A 73 20.478 48.296 60.696 1.00 34.67 N -ATOM 425 CD2 HIS A 73 20.135 46.586 61.971 1.00 26.49 C -ATOM 426 CE1 HIS A 73 19.448 47.666 60.189 1.00 30.29 C -ATOM 427 NE2 HIS A 73 19.230 46.577 60.958 1.00 32.45 N -ATOM 428 N PRO A 74 19.983 47.077 65.076 1.00 30.99 N -ATOM 429 CA PRO A 74 19.453 45.970 65.849 1.00 31.29 C -ATOM 430 C PRO A 74 19.694 44.597 65.240 1.00 28.92 C -ATOM 431 O PRO A 74 19.656 43.591 65.952 1.00 26.68 O -ATOM 432 CB PRO A 74 17.966 46.271 65.964 1.00 32.85 C -ATOM 433 CG PRO A 74 17.667 47.256 64.905 1.00 33.77 C -ATOM 434 CD PRO A 74 18.928 48.049 64.685 1.00 33.62 C -ATOM 435 N GLN A 75 20.033 44.541 63.947 1.00 25.56 N -ATOM 436 CA GLN A 75 20.266 43.219 63.329 1.00 27.59 C -ATOM 437 C GLN A 75 21.726 42.933 63.112 1.00 25.36 C -ATOM 438 O GLN A 75 22.088 41.894 62.539 1.00 27.46 O -ATOM 439 CB GLN A 75 19.544 43.198 61.955 1.00 26.43 C -ATOM 440 CG GLN A 75 18.018 43.136 62.135 1.00 26.99 C -ATOM 441 CD GLN A 75 17.290 43.181 60.816 1.00 31.07 C -ATOM 442 OE1 GLN A 75 17.077 44.262 60.261 1.00 32.42 O -ATOM 443 NE2 GLN A 75 16.966 42.009 60.269 1.00 29.18 N -ATOM 444 N ILE A 76 22.594 43.860 63.531 1.00 24.81 N -ATOM 445 CA ILE A 76 24.018 43.662 63.279 1.00 25.04 C -ATOM 446 C ILE A 76 24.835 43.339 64.499 1.00 26.06 C -ATOM 447 O ILE A 76 24.966 44.162 65.420 1.00 26.18 O -ATOM 448 CB ILE A 76 24.582 44.903 62.537 1.00 29.23 C -ATOM 449 CG1 ILE A 76 23.958 44.882 61.114 1.00 33.10 C -ATOM 450 CG2 ILE A 76 26.083 44.880 62.486 1.00 29.01 C -ATOM 451 CD1 ILE A 76 24.283 46.092 60.281 1.00 41.03 C -ATOM 452 N THR A 77 25.551 42.228 64.426 1.00 21.78 N -ATOM 453 CA THR A 77 26.433 41.755 65.464 1.00 21.73 C -ATOM 454 C THR A 77 27.884 41.925 65.008 1.00 25.16 C -ATOM 455 O THR A 77 28.167 41.711 63.808 1.00 23.61 O -ATOM 456 CB THR A 77 26.160 40.260 65.765 1.00 21.67 C -ATOM 457 OG1 THR A 77 24.954 40.100 66.504 1.00 22.50 O -ATOM 458 CG2 THR A 77 27.297 39.604 66.526 1.00 21.10 C -ATOM 459 N VAL A 78 28.761 42.263 65.924 1.00 23.17 N -ATOM 460 CA VAL A 78 30.184 42.383 65.634 1.00 25.78 C -ATOM 461 C VAL A 78 30.966 41.288 66.366 1.00 26.99 C -ATOM 462 O VAL A 78 30.710 40.906 67.525 1.00 26.64 O -ATOM 463 CB VAL A 78 30.729 43.742 66.090 1.00 25.50 C -ATOM 464 CG1 VAL A 78 32.241 43.854 65.820 1.00 31.63 C -ATOM 465 CG2 VAL A 78 29.993 44.878 65.425 1.00 28.75 C -ATOM 466 N VAL A 79 31.952 40.715 65.674 1.00 26.09 N -ATOM 467 CA VAL A 79 32.840 39.726 66.237 1.00 26.49 C -ATOM 468 C VAL A 79 34.267 40.155 65.835 1.00 27.89 C -ATOM 469 O VAL A 79 34.371 41.015 64.970 1.00 25.15 O -ATOM 470 CB VAL A 79 32.625 38.272 65.792 1.00 28.14 C -ATOM 471 CG1 VAL A 79 31.243 37.789 66.197 1.00 24.90 C -ATOM 472 CG2 VAL A 79 32.855 38.157 64.287 1.00 22.79 C -ATOM 473 N ASP A 80 35.279 39.611 66.477 1.00 29.65 N -ATOM 474 CA ASP A 80 36.631 40.067 66.067 1.00 31.97 C -ATOM 475 C ASP A 80 37.047 39.321 64.796 1.00 33.66 C -ATOM 476 O ASP A 80 36.843 38.114 64.732 1.00 32.92 O -ATOM 477 CB ASP A 80 37.632 39.728 67.168 1.00 33.10 C -ATOM 478 CG ASP A 80 37.473 40.566 68.414 1.00 31.43 C -ATOM 479 OD1 ASP A 80 36.713 41.543 68.446 1.00 34.76 O -ATOM 480 OD2 ASP A 80 38.167 40.244 69.406 1.00 32.77 O -ATOM 481 N GLY A 81 37.706 40.020 63.887 1.00 35.85 N -ATOM 482 CA GLY A 81 38.201 39.362 62.663 1.00 39.84 C -ATOM 483 C GLY A 81 39.473 38.599 63.030 1.00 43.62 C -ATOM 484 O GLY A 81 40.054 38.883 64.080 1.00 43.88 O -ATOM 485 N GLY A 82 39.909 37.632 62.217 1.00 44.95 N -ATOM 486 CA GLY A 82 41.131 36.900 62.576 1.00 47.90 C -ATOM 487 C GLY A 82 42.234 37.079 61.534 1.00 49.12 C -ATOM 488 O GLY A 82 42.155 37.902 60.628 1.00 48.21 O -ATOM 489 N ASP A 83 43.282 36.256 61.677 1.00 49.15 N -ATOM 490 CA ASP A 83 44.418 36.309 60.767 1.00 50.02 C -ATOM 491 C ASP A 83 43.985 36.255 59.314 1.00 50.75 C -ATOM 492 O ASP A 83 44.452 37.088 58.522 1.00 51.23 O -ATOM 493 CB ASP A 83 45.438 35.226 61.104 1.00 50.90 C -ATOM 494 N GLU A 84 43.116 35.332 58.908 1.00 48.34 N -ATOM 495 CA GLU A 84 42.714 35.358 57.485 1.00 46.85 C -ATOM 496 C GLU A 84 41.205 35.350 57.358 1.00 45.32 C -ATOM 497 O GLU A 84 40.510 35.231 58.379 1.00 45.31 O -ATOM 498 CB GLU A 84 43.363 34.206 56.747 1.00 52.18 C -ATOM 499 CG GLU A 84 43.023 32.822 57.278 1.00 56.58 C -ATOM 500 CD GLU A 84 43.702 31.724 56.472 1.00 60.94 C -ATOM 501 OE1 GLU A 84 44.823 31.318 56.862 1.00 60.57 O -ATOM 502 OE2 GLU A 84 43.128 31.271 55.454 1.00 61.43 O -ATOM 503 N ARG A 85 40.685 35.486 56.143 1.00 42.50 N -ATOM 504 CA ARG A 85 39.247 35.448 55.913 1.00 39.41 C -ATOM 505 C ARG A 85 38.628 34.254 56.636 1.00 37.36 C -ATOM 506 O ARG A 85 37.637 34.403 57.346 1.00 34.16 O -ATOM 507 CB ARG A 85 38.922 35.366 54.416 1.00 39.80 C -ATOM 508 CG ARG A 85 37.435 35.333 54.109 1.00 40.28 C -ATOM 509 CD ARG A 85 37.087 34.671 52.791 1.00 39.27 C -ATOM 510 NE ARG A 85 35.676 34.781 52.443 1.00 39.66 N -ATOM 511 CZ ARG A 85 35.055 35.856 52.009 1.00 40.73 C -ATOM 512 NH1 ARG A 85 35.720 37.010 51.845 1.00 43.93 N -ATOM 513 NH2 ARG A 85 33.748 35.832 51.738 1.00 42.93 N -ATOM 514 N ALA A 86 39.190 33.054 56.467 1.00 35.82 N -ATOM 515 CA ALA A 86 38.667 31.863 57.099 1.00 36.89 C -ATOM 516 C ALA A 86 38.487 31.994 58.598 1.00 35.67 C -ATOM 517 O ALA A 86 37.436 31.612 59.130 1.00 34.53 O -ATOM 518 CB ALA A 86 39.529 30.632 56.796 1.00 40.12 C -ATOM 519 N ASP A 87 39.495 32.522 59.299 1.00 35.57 N -ATOM 520 CA ASP A 87 39.383 32.674 60.746 1.00 34.30 C -ATOM 521 C ASP A 87 38.214 33.594 61.086 1.00 31.58 C -ATOM 522 O ASP A 87 37.482 33.321 62.035 1.00 31.09 O -ATOM 523 CB ASP A 87 40.653 33.243 61.378 1.00 42.89 C -ATOM 524 CG ASP A 87 41.826 32.295 61.264 1.00 45.22 C -ATOM 525 OD1 ASP A 87 41.849 31.313 62.037 1.00 48.24 O -ATOM 526 OD2 ASP A 87 42.689 32.518 60.395 1.00 49.52 O -ATOM 527 N SER A 88 38.067 34.666 60.305 1.00 30.35 N -ATOM 528 CA SER A 88 36.990 35.614 60.518 1.00 28.06 C -ATOM 529 C SER A 88 35.624 34.953 60.375 1.00 26.84 C -ATOM 530 O SER A 88 34.664 35.251 61.105 1.00 22.79 O -ATOM 531 CB SER A 88 37.069 36.753 59.460 1.00 33.20 C -ATOM 532 OG SER A 88 38.046 37.684 59.840 1.00 39.02 O -ATOM 533 N VAL A 89 35.487 34.137 59.323 1.00 23.93 N -ATOM 534 CA VAL A 89 34.206 33.444 59.120 1.00 23.79 C -ATOM 535 C VAL A 89 33.882 32.542 60.278 1.00 23.63 C -ATOM 536 O VAL A 89 32.746 32.449 60.778 1.00 23.03 O -ATOM 537 CB VAL A 89 34.240 32.676 57.778 1.00 25.54 C -ATOM 538 CG1 VAL A 89 32.901 31.967 57.581 1.00 23.82 C -ATOM 539 CG2 VAL A 89 34.468 33.648 56.628 1.00 26.79 C -ATOM 540 N LEU A 90 34.857 31.768 60.779 1.00 23.72 N -ATOM 541 CA LEU A 90 34.573 30.896 61.936 1.00 24.56 C -ATOM 542 C LEU A 90 34.129 31.718 63.139 1.00 25.47 C -ATOM 543 O LEU A 90 33.290 31.267 63.927 1.00 25.04 O -ATOM 544 CB LEU A 90 35.834 30.094 62.279 1.00 28.73 C -ATOM 545 CG LEU A 90 36.150 28.932 61.354 1.00 30.96 C -ATOM 546 CD1 LEU A 90 37.494 28.315 61.696 1.00 28.66 C -ATOM 547 CD2 LEU A 90 35.044 27.878 61.448 1.00 28.16 C -ATOM 548 N ALA A 91 34.731 32.913 63.299 1.00 23.87 N -ATOM 549 CA ALA A 91 34.301 33.762 64.444 1.00 24.82 C -ATOM 550 C ALA A 91 32.870 34.192 64.254 1.00 22.37 C -ATOM 551 O ALA A 91 32.046 34.186 65.186 1.00 24.97 O -ATOM 552 CB ALA A 91 35.276 34.936 64.565 1.00 26.75 C -ATOM 553 N GLY A 92 32.482 34.481 63.015 1.00 22.60 N -ATOM 554 CA GLY A 92 31.111 34.837 62.660 1.00 23.98 C -ATOM 555 C GLY A 92 30.192 33.652 62.921 1.00 23.90 C -ATOM 556 O GLY A 92 29.063 33.820 63.405 1.00 23.49 O -ATOM 557 N LEU A 93 30.661 32.414 62.644 1.00 23.81 N -ATOM 558 CA LEU A 93 29.816 31.243 62.928 1.00 22.25 C -ATOM 559 C LEU A 93 29.573 31.082 64.428 1.00 23.12 C -ATOM 560 O LEU A 93 28.499 30.668 64.856 1.00 24.82 O -ATOM 561 CB LEU A 93 30.518 29.967 62.433 1.00 24.64 C -ATOM 562 CG LEU A 93 30.694 29.884 60.919 1.00 22.19 C -ATOM 563 CD1 LEU A 93 31.191 28.462 60.549 1.00 26.97 C -ATOM 564 CD2 LEU A 93 29.419 30.195 60.174 1.00 26.64 C -ATOM 565 N LYS A 94 30.531 31.466 65.243 1.00 21.18 N -ATOM 566 CA LYS A 94 30.365 31.371 66.696 1.00 21.64 C -ATOM 567 C LYS A 94 29.261 32.330 67.147 1.00 23.52 C -ATOM 568 O LYS A 94 28.738 32.162 68.269 1.00 24.26 O -ATOM 569 CB LYS A 94 31.645 31.712 67.440 1.00 27.21 C -ATOM 570 CG LYS A 94 32.624 30.541 67.495 1.00 32.58 C -ATOM 571 CD LYS A 94 33.947 30.998 68.098 1.00 36.17 C -ATOM 572 CE LYS A 94 34.871 29.791 68.290 1.00 42.38 C -ATOM 573 NZ LYS A 94 36.116 30.202 69.009 1.00 40.37 N -ATOM 574 N ALA A 95 28.942 33.329 66.349 1.00 21.86 N -ATOM 575 CA ALA A 95 27.910 34.284 66.694 1.00 23.27 C -ATOM 576 C ALA A 95 26.602 34.006 65.975 1.00 25.03 C -ATOM 577 O ALA A 95 25.644 34.770 66.172 1.00 24.90 O -ATOM 578 CB ALA A 95 28.340 35.712 66.311 1.00 22.29 C -ATOM 579 N ALA A 96 26.520 32.895 65.219 1.00 23.15 N -ATOM 580 CA ALA A 96 25.331 32.627 64.462 1.00 22.47 C -ATOM 581 C ALA A 96 24.134 32.094 65.178 1.00 24.55 C -ATOM 582 O ALA A 96 23.091 31.800 64.538 1.00 24.74 O -ATOM 583 CB ALA A 96 25.647 31.806 63.210 1.00 22.32 C -ATOM 584 N GLY A 97 24.174 31.887 66.498 1.00 24.38 N -ATOM 585 CA GLY A 97 22.944 31.415 67.152 1.00 26.16 C -ATOM 586 C GLY A 97 22.517 30.036 66.684 1.00 25.27 C -ATOM 587 O GLY A 97 23.339 29.142 66.447 1.00 26.01 O -ATOM 588 N ASP A 98 21.212 29.874 66.476 1.00 25.62 N -ATOM 589 CA ASP A 98 20.679 28.569 66.076 1.00 26.75 C -ATOM 590 C ASP A 98 20.509 28.462 64.564 1.00 28.19 C -ATOM 591 O ASP A 98 19.972 27.457 64.102 1.00 27.97 O -ATOM 592 CB AASP A 98 19.355 28.290 66.782 0.65 32.50 C -ATOM 593 CB BASP A 98 19.343 28.286 66.761 0.35 27.94 C -ATOM 594 CG AASP A 98 18.382 29.448 66.723 0.65 37.09 C -ATOM 595 CG BASP A 98 19.467 27.991 68.236 0.35 27.94 C -ATOM 596 OD1AASP A 98 18.528 30.353 65.867 0.65 42.60 O -ATOM 597 OD1BASP A 98 19.090 28.855 69.058 0.35 32.46 O -ATOM 598 OD2AASP A 98 17.440 29.473 67.548 0.65 41.23 O -ATOM 599 OD2BASP A 98 19.965 26.911 68.593 0.35 31.30 O -ATOM 600 N ALA A 99 21.034 29.464 63.842 1.00 24.61 N -ATOM 601 CA ALA A 99 20.951 29.441 62.396 1.00 26.67 C -ATOM 602 C ALA A 99 21.398 28.098 61.829 1.00 25.11 C -ATOM 603 O ALA A 99 22.565 27.712 61.922 1.00 26.53 O -ATOM 604 CB ALA A 99 21.818 30.552 61.792 1.00 26.58 C -ATOM 605 N GLN A 100 20.533 27.514 60.998 1.00 23.03 N -ATOM 606 CA GLN A 100 20.900 26.235 60.389 1.00 22.02 C -ATOM 607 C GLN A 100 21.682 26.435 59.087 1.00 22.91 C -ATOM 608 O GLN A 100 22.358 25.502 58.651 1.00 24.72 O -ATOM 609 CB GLN A 100 19.663 25.384 60.124 1.00 30.15 C -ATOM 610 CG GLN A 100 18.945 25.030 61.444 1.00 36.65 C -ATOM 611 CD GLN A 100 18.636 23.529 61.386 1.00 45.83 C -ATOM 612 OE1 GLN A 100 17.719 23.162 60.668 1.00 48.20 O -ATOM 613 NE2 GLN A 100 19.468 22.750 62.055 1.00 51.03 N -ATOM 614 N TRP A 101 21.489 27.581 58.460 1.00 21.97 N -ATOM 615 CA TRP A 101 22.175 27.897 57.187 1.00 23.51 C -ATOM 616 C TRP A 101 22.838 29.252 57.369 1.00 24.18 C -ATOM 617 O TRP A 101 22.304 30.129 58.073 1.00 23.01 O -ATOM 618 CB TRP A 101 21.158 27.947 56.040 1.00 20.73 C -ATOM 619 CG TRP A 101 20.854 26.583 55.491 1.00 22.81 C -ATOM 620 CD1 TRP A 101 20.007 25.655 56.036 1.00 28.93 C -ATOM 621 CD2 TRP A 101 21.342 26.022 54.276 1.00 23.23 C -ATOM 622 NE1 TRP A 101 19.985 24.518 55.254 1.00 26.48 N -ATOM 623 CE2 TRP A 101 20.790 24.728 54.156 1.00 29.75 C -ATOM 624 CE3 TRP A 101 22.211 26.468 53.274 1.00 25.68 C -ATOM 625 CZ2 TRP A 101 21.072 23.887 53.095 1.00 30.65 C -ATOM 626 CZ3 TRP A 101 22.516 25.609 52.229 1.00 27.13 C -ATOM 627 CH2 TRP A 101 21.928 24.344 52.123 1.00 26.54 C -ATOM 628 N VAL A 102 24.024 29.441 56.774 1.00 20.53 N -ATOM 629 CA VAL A 102 24.729 30.694 56.870 1.00 20.32 C -ATOM 630 C VAL A 102 25.075 31.249 55.471 1.00 21.61 C -ATOM 631 O VAL A 102 25.533 30.474 54.635 1.00 20.93 O -ATOM 632 CB VAL A 102 26.047 30.543 57.647 1.00 20.62 C -ATOM 633 CG1 VAL A 102 26.791 31.878 57.689 1.00 25.61 C -ATOM 634 CG2 VAL A 102 25.697 30.152 59.118 1.00 26.36 C -ATOM 635 N LEU A 103 24.928 32.531 55.328 1.00 21.39 N -ATOM 636 CA LEU A 103 25.267 33.260 54.093 1.00 24.76 C -ATOM 637 C LEU A 103 26.588 34.008 54.296 1.00 23.90 C -ATOM 638 O LEU A 103 26.556 34.991 55.060 1.00 28.06 O -ATOM 639 CB LEU A 103 24.183 34.307 53.877 1.00 26.90 C -ATOM 640 CG LEU A 103 23.128 34.380 52.864 1.00 34.74 C -ATOM 641 CD1 LEU A 103 22.588 35.827 52.721 1.00 29.16 C -ATOM 642 CD2 LEU A 103 23.472 33.849 51.476 1.00 24.33 C -ATOM 643 N VAL A 104 27.646 33.744 53.554 1.00 21.69 N -ATOM 644 CA VAL A 104 28.910 34.533 53.732 1.00 17.53 C -ATOM 645 C VAL A 104 29.063 35.451 52.530 1.00 19.38 C -ATOM 646 O VAL A 104 28.903 34.976 51.363 1.00 20.16 O -ATOM 647 CB VAL A 104 30.101 33.584 53.829 1.00 19.57 C -ATOM 648 CG1 VAL A 104 31.363 34.369 54.192 1.00 22.84 C -ATOM 649 CG2 VAL A 104 29.830 32.484 54.861 1.00 22.39 C -ATOM 650 N HIS A 105 29.254 36.743 52.758 1.00 20.50 N -ATOM 651 CA HIS A 105 29.300 37.697 51.627 1.00 20.91 C -ATOM 652 C HIS A 105 30.391 38.722 51.823 1.00 24.63 C -ATOM 653 O HIS A 105 30.677 39.200 52.918 1.00 24.22 O -ATOM 654 CB HIS A 105 27.902 38.374 51.545 1.00 21.40 C -ATOM 655 CG HIS A 105 27.780 39.398 50.469 1.00 23.75 C -ATOM 656 ND1 HIS A 105 27.881 39.063 49.123 1.00 20.51 N -ATOM 657 CD2 HIS A 105 27.592 40.740 50.520 1.00 21.81 C -ATOM 658 CE1 HIS A 105 27.758 40.150 48.392 1.00 26.10 C -ATOM 659 NE2 HIS A 105 27.559 41.175 49.198 1.00 24.91 N -ATOM 660 N ASP A 106 31.021 39.108 50.707 1.00 21.56 N -ATOM 661 CA ASP A 106 32.082 40.079 50.693 1.00 25.75 C -ATOM 662 C ASP A 106 31.574 41.474 51.123 1.00 23.88 C -ATOM 663 O ASP A 106 30.577 41.975 50.609 1.00 25.66 O -ATOM 664 CB ASP A 106 32.628 40.229 49.249 1.00 27.93 C -ATOM 665 CG ASP A 106 33.420 39.012 48.833 1.00 32.78 C -ATOM 666 OD1 ASP A 106 33.675 38.850 47.611 1.00 33.44 O -ATOM 667 OD2 ASP A 106 33.790 38.210 49.726 1.00 31.10 O -ATOM 668 N ALA A 107 32.397 42.112 51.928 1.00 26.43 N -ATOM 669 CA ALA A 107 32.075 43.469 52.402 1.00 28.12 C -ATOM 670 C ALA A 107 32.184 44.456 51.229 1.00 29.29 C -ATOM 671 O ALA A 107 31.581 45.517 51.281 1.00 26.71 O -ATOM 672 CB ALA A 107 33.088 43.885 53.454 1.00 27.91 C -ATOM 673 N ALA A 108 32.934 44.075 50.192 1.00 27.93 N -ATOM 674 CA ALA A 108 33.150 44.957 49.061 1.00 28.77 C -ATOM 675 C ALA A 108 32.347 44.624 47.833 1.00 29.53 C -ATOM 676 O ALA A 108 32.639 45.063 46.710 1.00 29.43 O -ATOM 677 CB ALA A 108 34.668 45.047 48.790 1.00 30.74 C -ATOM 678 N ARG A 109 31.174 43.999 48.039 1.00 26.43 N -ATOM 679 CA ARG A 109 30.267 43.699 46.910 1.00 24.83 C -ATOM 680 C ARG A 109 28.950 44.405 47.244 1.00 26.57 C -ATOM 681 O ARG A 109 28.085 43.790 47.840 1.00 28.75 O -ATOM 682 CB ARG A 109 30.035 42.201 46.779 1.00 24.52 C -ATOM 683 CG ARG A 109 31.190 41.436 46.104 1.00 27.71 C -ATOM 684 CD ARG A 109 30.771 39.949 45.866 1.00 29.48 C -ATOM 685 NE ARG A 109 31.982 39.269 45.309 1.00 28.24 N -ATOM 686 CZ ARG A 109 32.279 39.227 44.025 1.00 29.66 C -ATOM 687 NH1 ARG A 109 31.508 39.766 43.102 1.00 30.23 N -ATOM 688 NH2 ARG A 109 33.408 38.661 43.606 1.00 25.61 N -ATOM 689 N PRO A 110 28.793 45.660 46.816 1.00 25.98 N -ATOM 690 CA PRO A 110 27.603 46.433 47.085 1.00 27.72 C -ATOM 691 C PRO A 110 26.413 46.209 46.246 1.00 28.45 C -ATOM 692 O PRO A 110 25.293 46.665 46.552 1.00 29.75 O -ATOM 693 CB PRO A 110 28.138 47.899 46.870 1.00 26.65 C -ATOM 694 CG PRO A 110 29.068 47.705 45.689 1.00 26.24 C -ATOM 695 CD PRO A 110 29.799 46.392 46.015 1.00 25.99 C -ATOM 696 N CYS A 111 26.572 45.527 45.091 1.00 27.82 N -ATOM 697 CA CYS A 111 25.533 45.324 44.148 1.00 27.58 C -ATOM 698 C CYS A 111 25.051 43.874 44.139 1.00 31.74 C -ATOM 699 O CYS A 111 25.737 42.984 43.573 1.00 34.08 O -ATOM 700 CB CYS A 111 25.997 45.662 42.694 1.00 29.83 C -ATOM 701 SG ACYS A 111 26.887 47.227 42.551 0.65 32.01 S -ATOM 702 SG BCYS A 111 24.573 45.688 41.579 0.35 23.10 S -ATOM 703 N LEU A 112 23.994 43.614 44.835 1.00 30.59 N -ATOM 704 CA LEU A 112 23.414 42.264 44.909 1.00 29.51 C -ATOM 705 C LEU A 112 21.924 42.467 44.619 1.00 31.97 C -ATOM 706 O LEU A 112 21.368 43.364 45.302 1.00 33.47 O -ATOM 707 CB LEU A 112 23.602 41.731 46.336 1.00 26.53 C -ATOM 708 CG LEU A 112 23.314 40.298 46.652 1.00 31.65 C -ATOM 709 CD1 LEU A 112 23.534 39.968 48.137 1.00 23.57 C -ATOM 710 CD2 LEU A 112 21.923 39.852 46.250 1.00 38.95 C -ATOM 711 N HIS A 113 21.338 41.729 43.720 1.00 30.78 N -ATOM 712 CA HIS A 113 19.895 41.867 43.453 1.00 33.82 C -ATOM 713 C HIS A 113 19.109 40.861 44.291 1.00 33.33 C -ATOM 714 O HIS A 113 19.556 39.727 44.492 1.00 31.84 O -ATOM 715 CB HIS A 113 19.596 41.609 41.994 1.00 35.99 C -ATOM 716 CG HIS A 113 20.083 42.615 41.014 1.00 40.10 C -ATOM 717 ND1 HIS A 113 19.233 43.120 40.030 1.00 43.33 N -ATOM 718 CD2 HIS A 113 21.283 43.181 40.806 1.00 41.86 C -ATOM 719 CE1 HIS A 113 19.915 43.953 39.267 1.00 44.18 C -ATOM 720 NE2 HIS A 113 21.152 44.026 39.722 1.00 44.23 N -ATOM 721 N GLN A 114 17.894 41.231 44.716 1.00 30.19 N -ATOM 722 CA GLN A 114 17.112 40.324 45.529 1.00 32.53 C -ATOM 723 C GLN A 114 16.710 39.060 44.837 1.00 29.96 C -ATOM 724 O GLN A 114 16.685 38.006 45.470 1.00 31.61 O -ATOM 725 CB GLN A 114 15.879 41.041 46.134 1.00 33.68 C -ATOM 726 CG GLN A 114 16.293 42.162 47.078 1.00 38.68 C -ATOM 727 CD GLN A 114 17.195 41.647 48.195 1.00 35.56 C -ATOM 728 OE1 GLN A 114 16.765 40.769 48.941 1.00 39.49 O -ATOM 729 NE2 GLN A 114 18.398 42.208 48.300 1.00 31.94 N -ATOM 730 N ASP A 115 16.413 39.086 43.530 1.00 30.78 N -ATOM 731 CA ASP A 115 16.042 37.867 42.852 1.00 29.91 C -ATOM 732 C ASP A 115 17.220 36.869 42.842 1.00 27.64 C -ATOM 733 O ASP A 115 16.958 35.693 43.047 1.00 28.56 O -ATOM 734 CB ASP A 115 15.473 38.070 41.470 1.00 33.76 C -ATOM 735 CG ASP A 115 16.394 38.817 40.536 1.00 38.18 C -ATOM 736 OD1 ASP A 115 17.495 39.240 40.963 1.00 35.10 O -ATOM 737 OD2 ASP A 115 15.989 38.996 39.358 1.00 43.48 O -ATOM 738 N ASP A 116 18.441 37.341 42.656 1.00 28.88 N -ATOM 739 CA ASP A 116 19.588 36.406 42.689 1.00 30.41 C -ATOM 740 C ASP A 116 19.772 35.919 44.126 1.00 30.06 C -ATOM 741 O ASP A 116 19.991 34.733 44.382 1.00 29.87 O -ATOM 742 CB ASP A 116 20.849 37.074 42.180 1.00 28.03 C -ATOM 743 CG ASP A 116 20.815 37.378 40.683 1.00 29.03 C -ATOM 744 OD1 ASP A 116 20.128 36.674 39.943 1.00 30.96 O -ATOM 745 OD2 ASP A 116 21.502 38.329 40.274 1.00 33.03 O -ATOM 746 N LEU A 117 19.665 36.834 45.106 1.00 28.54 N -ATOM 747 CA LEU A 117 19.789 36.339 46.503 1.00 29.01 C -ATOM 748 C LEU A 117 18.721 35.301 46.799 1.00 29.27 C -ATOM 749 O LEU A 117 18.994 34.238 47.375 1.00 28.99 O -ATOM 750 CB LEU A 117 19.717 37.532 47.472 1.00 28.95 C -ATOM 751 CG LEU A 117 19.721 37.218 48.954 1.00 28.48 C -ATOM 752 CD1 LEU A 117 20.977 36.382 49.328 1.00 29.57 C -ATOM 753 CD2 LEU A 117 19.749 38.500 49.803 1.00 26.56 C -ATOM 754 N ALA A 118 17.452 35.533 46.390 1.00 29.10 N -ATOM 755 CA ALA A 118 16.377 34.602 46.650 1.00 29.20 C -ATOM 756 C ALA A 118 16.654 33.233 46.030 1.00 30.33 C -ATOM 757 O ALA A 118 16.377 32.197 46.649 1.00 28.31 O -ATOM 758 CB ALA A 118 15.028 35.121 46.138 1.00 31.74 C -ATOM 759 N ARG A 119 17.181 33.243 44.801 1.00 28.44 N -ATOM 760 CA ARG A 119 17.499 31.995 44.130 1.00 27.14 C -ATOM 761 C ARG A 119 18.578 31.209 44.856 1.00 26.66 C -ATOM 762 O ARG A 119 18.496 29.989 44.956 1.00 25.38 O -ATOM 763 CB ARG A 119 17.839 32.244 42.645 1.00 28.29 C -ATOM 764 CG ARG A 119 16.634 31.877 41.797 1.00 37.93 C -ATOM 765 CD ARG A 119 16.467 32.597 40.497 1.00 42.52 C -ATOM 766 NE ARG A 119 17.513 33.495 40.130 1.00 40.25 N -ATOM 767 CZ ARG A 119 18.727 33.288 39.704 1.00 39.82 C -ATOM 768 NH1 ARG A 119 19.523 34.338 39.462 1.00 34.87 N -ATOM 769 NH2 ARG A 119 19.170 32.049 39.505 1.00 44.87 N -ATOM 770 N LEU A 120 19.565 31.875 45.408 1.00 24.78 N -ATOM 771 CA LEU A 120 20.610 31.195 46.188 1.00 23.39 C -ATOM 772 C LEU A 120 20.024 30.615 47.458 1.00 24.51 C -ATOM 773 O LEU A 120 20.234 29.443 47.820 1.00 21.71 O -ATOM 774 CB LEU A 120 21.718 32.192 46.504 1.00 23.34 C -ATOM 775 CG LEU A 120 22.864 31.627 47.389 1.00 22.41 C -ATOM 776 CD1 LEU A 120 23.628 30.572 46.581 1.00 24.74 C -ATOM 777 CD2 LEU A 120 23.785 32.726 47.841 1.00 23.09 C -ATOM 778 N LEU A 121 19.198 31.430 48.149 1.00 23.28 N -ATOM 779 CA LEU A 121 18.603 30.977 49.399 1.00 24.52 C -ATOM 780 C LEU A 121 17.707 29.767 49.226 1.00 26.29 C -ATOM 781 O LEU A 121 17.547 28.938 50.132 1.00 24.53 O -ATOM 782 CB LEU A 121 17.846 32.131 50.054 1.00 24.56 C -ATOM 783 CG LEU A 121 18.695 33.277 50.598 1.00 26.78 C -ATOM 784 CD1 LEU A 121 17.762 34.357 51.167 1.00 26.72 C -ATOM 785 CD2 LEU A 121 19.651 32.813 51.685 1.00 28.52 C -ATOM 786 N ALA A 122 17.128 29.608 48.044 1.00 25.12 N -ATOM 787 CA ALA A 122 16.278 28.469 47.727 1.00 27.69 C -ATOM 788 C ALA A 122 17.000 27.138 47.831 1.00 27.63 C -ATOM 789 O ALA A 122 16.393 26.094 48.097 1.00 29.99 O -ATOM 790 CB ALA A 122 15.701 28.651 46.317 1.00 25.47 C -ATOM 791 N LEU A 123 18.352 27.137 47.808 1.00 26.83 N -ATOM 792 CA LEU A 123 19.105 25.921 47.938 1.00 24.45 C -ATOM 793 C LEU A 123 18.837 25.155 49.219 1.00 25.50 C -ATOM 794 O LEU A 123 19.110 23.957 49.249 1.00 23.84 O -ATOM 795 CB LEU A 123 20.632 26.139 47.842 1.00 25.42 C -ATOM 796 CG LEU A 123 21.117 26.554 46.438 1.00 26.30 C -ATOM 797 CD1 LEU A 123 22.646 26.697 46.433 1.00 25.65 C -ATOM 798 CD2 LEU A 123 20.676 25.533 45.397 1.00 33.97 C -ATOM 799 N SER A 124 18.421 25.820 50.294 1.00 25.92 N -ATOM 800 CA SER A 124 18.215 25.160 51.559 1.00 28.40 C -ATOM 801 C SER A 124 17.098 24.132 51.511 1.00 30.18 C -ATOM 802 O SER A 124 17.097 23.202 52.326 1.00 29.68 O -ATOM 803 CB SER A 124 18.054 26.111 52.735 1.00 30.67 C -ATOM 804 OG SER A 124 16.939 26.950 52.644 1.00 31.44 O -ATOM 805 N GLU A 125 16.222 24.274 50.537 1.00 30.94 N -ATOM 806 CA GLU A 125 15.099 23.417 50.295 1.00 33.92 C -ATOM 807 C GLU A 125 15.477 22.147 49.561 1.00 34.04 C -ATOM 808 O GLU A 125 14.806 21.129 49.730 1.00 31.39 O -ATOM 809 CB GLU A 125 14.025 24.138 49.435 1.00 36.96 C -ATOM 810 CG GLU A 125 13.503 25.428 50.045 1.00 45.60 C -ATOM 811 CD GLU A 125 13.258 25.339 51.536 1.00 51.79 C -ATOM 812 OE1 GLU A 125 12.361 24.569 51.946 1.00 56.78 O -ATOM 813 OE2 GLU A 125 13.979 26.005 52.315 1.00 54.15 O -ATOM 814 N THR A 126 16.586 22.174 48.810 1.00 32.50 N -ATOM 815 CA THR A 126 16.970 21.025 48.023 1.00 32.59 C -ATOM 816 C THR A 126 18.394 20.537 48.191 1.00 32.30 C -ATOM 817 O THR A 126 18.711 19.493 47.580 1.00 33.17 O -ATOM 818 CB THR A 126 16.896 21.424 46.492 1.00 35.78 C -ATOM 819 OG1 THR A 126 17.738 22.585 46.329 1.00 35.64 O -ATOM 820 CG2 THR A 126 15.487 21.762 46.073 1.00 39.86 C -ATOM 821 N SER A 127 19.285 21.267 48.827 1.00 29.05 N -ATOM 822 CA SER A 127 20.687 20.844 48.872 1.00 27.94 C -ATOM 823 C SER A 127 21.194 20.480 50.234 1.00 28.29 C -ATOM 824 O SER A 127 20.795 21.057 51.264 1.00 27.46 O -ATOM 825 CB SER A 127 21.549 22.066 48.386 1.00 27.13 C -ATOM 826 OG SER A 127 22.921 21.709 48.398 1.00 28.15 O -ATOM 827 N ARG A 128 22.171 19.556 50.260 1.00 26.49 N -ATOM 828 CA ARG A 128 22.796 19.241 51.545 1.00 28.37 C -ATOM 829 C ARG A 128 24.167 19.930 51.621 1.00 27.58 C -ATOM 830 O ARG A 128 24.846 19.771 52.619 1.00 27.35 O -ATOM 831 CB ARG A 128 23.035 17.746 51.721 1.00 30.68 C -ATOM 832 CG ARG A 128 21.817 16.921 52.048 1.00 33.73 C -ATOM 833 CD ARG A 128 22.299 15.524 52.520 1.00 39.64 C -ATOM 834 NE ARG A 128 21.171 14.689 52.911 1.00 44.15 N -ATOM 835 CZ ARG A 128 20.438 14.841 54.005 1.00 41.01 C -ATOM 836 NH1 ARG A 128 19.434 13.994 54.237 1.00 38.78 N -ATOM 837 NH2 ARG A 128 20.707 15.798 54.875 1.00 41.14 N -ATOM 838 N THR A 129 24.602 20.507 50.482 1.00 25.41 N -ATOM 839 CA THR A 129 25.939 21.117 50.466 1.00 23.74 C -ATOM 840 C THR A 129 25.905 22.626 50.396 1.00 23.59 C -ATOM 841 O THR A 129 26.863 23.282 50.867 1.00 25.67 O -ATOM 842 CB THR A 129 26.692 20.559 49.207 1.00 28.80 C -ATOM 843 OG1 THR A 129 26.695 19.124 49.306 1.00 31.86 O -ATOM 844 CG2 THR A 129 28.142 21.004 49.176 1.00 29.22 C -ATOM 845 N GLY A 130 24.916 23.230 49.785 1.00 21.39 N -ATOM 846 CA GLY A 130 24.887 24.689 49.646 1.00 18.52 C -ATOM 847 C GLY A 130 25.428 25.013 48.228 1.00 21.30 C -ATOM 848 O GLY A 130 25.461 24.148 47.357 1.00 19.71 O -ATOM 849 N GLY A 131 25.791 26.281 48.054 1.00 19.37 N -ATOM 850 CA GLY A 131 26.232 26.748 46.744 1.00 20.41 C -ATOM 851 C GLY A 131 26.584 28.240 46.792 1.00 20.20 C -ATOM 852 O GLY A 131 26.577 28.889 47.847 1.00 19.39 O -ATOM 853 N ILE A 132 27.003 28.742 45.628 1.00 18.89 N -ATOM 854 CA ILE A 132 27.427 30.114 45.465 1.00 18.62 C -ATOM 855 C ILE A 132 26.801 30.764 44.222 1.00 19.94 C -ATOM 856 O ILE A 132 26.436 30.058 43.288 1.00 19.68 O -ATOM 857 CB ILE A 132 28.976 30.207 45.297 1.00 21.01 C -ATOM 858 CG1 ILE A 132 29.414 29.684 43.912 1.00 19.81 C -ATOM 859 CG2 ILE A 132 29.686 29.419 46.404 1.00 19.03 C -ATOM 860 CD1 ILE A 132 30.891 30.049 43.642 1.00 18.82 C -ATOM 861 N LEU A 133 26.666 32.091 44.298 1.00 19.39 N -ATOM 862 CA LEU A 133 26.281 32.855 43.085 1.00 18.50 C -ATOM 863 C LEU A 133 27.534 32.839 42.166 1.00 20.36 C -ATOM 864 O LEU A 133 28.657 32.811 42.634 1.00 18.49 O -ATOM 865 CB LEU A 133 25.941 34.276 43.491 1.00 21.81 C -ATOM 866 CG LEU A 133 24.546 34.795 43.456 1.00 26.85 C -ATOM 867 CD1 LEU A 133 23.428 33.793 43.307 1.00 24.94 C -ATOM 868 CD2 LEU A 133 24.240 35.919 44.398 1.00 25.95 C -ATOM 869 N ALA A 134 27.308 32.722 40.870 1.00 20.33 N -ATOM 870 CA ALA A 134 28.437 32.674 39.913 1.00 21.69 C -ATOM 871 C ALA A 134 27.956 33.180 38.547 1.00 21.97 C -ATOM 872 O ALA A 134 26.761 33.171 38.289 1.00 20.99 O -ATOM 873 CB ALA A 134 28.867 31.212 39.756 1.00 22.49 C -ATOM 874 N ALA A 135 28.916 33.562 37.692 1.00 21.15 N -ATOM 875 CA ALA A 135 28.490 34.026 36.341 1.00 20.64 C -ATOM 876 C ALA A 135 29.364 33.271 35.345 1.00 24.90 C -ATOM 877 O ALA A 135 30.570 33.107 35.550 1.00 22.53 O -ATOM 878 CB ALA A 135 28.760 35.534 36.247 1.00 20.62 C -ATOM 879 N PRO A 136 28.778 32.733 34.297 1.00 27.06 N -ATOM 880 CA PRO A 136 29.539 31.970 33.315 1.00 27.60 C -ATOM 881 C PRO A 136 30.588 32.797 32.600 1.00 26.27 C -ATOM 882 O PRO A 136 30.468 33.986 32.381 1.00 25.21 O -ATOM 883 CB PRO A 136 28.488 31.481 32.309 1.00 30.30 C -ATOM 884 CG PRO A 136 27.184 31.614 33.034 1.00 32.33 C -ATOM 885 CD PRO A 136 27.345 32.863 33.920 1.00 29.88 C -ATOM 886 N VAL A 137 31.683 32.109 32.209 1.00 24.53 N -ATOM 887 CA VAL A 137 32.768 32.720 31.487 1.00 25.24 C -ATOM 888 C VAL A 137 32.412 32.631 29.981 1.00 27.88 C -ATOM 889 O VAL A 137 32.103 31.531 29.528 1.00 27.57 O -ATOM 890 CB VAL A 137 34.125 32.039 31.680 1.00 26.43 C -ATOM 891 CG1 VAL A 137 35.168 32.602 30.705 1.00 22.95 C -ATOM 892 CG2 VAL A 137 34.632 32.258 33.118 1.00 22.49 C -ATOM 893 N ARG A 138 32.425 33.785 29.345 1.00 27.88 N -ATOM 894 CA ARG A 138 32.051 33.797 27.914 1.00 28.77 C -ATOM 895 C ARG A 138 33.188 34.018 26.978 1.00 27.78 C -ATOM 896 O ARG A 138 33.048 33.736 25.763 1.00 28.48 O -ATOM 897 CB ARG A 138 30.893 34.793 27.709 1.00 37.49 C -ATOM 898 CG ARG A 138 29.626 34.181 28.327 1.00 45.57 C -ATOM 899 CD ARG A 138 28.459 35.141 28.412 1.00 54.68 C -ATOM 900 NE ARG A 138 27.393 34.563 29.220 1.00 61.56 N -ATOM 901 CZ ARG A 138 26.218 35.058 29.512 1.00 66.57 C -ATOM 902 NH1 ARG A 138 25.835 36.249 29.054 1.00 70.60 N -ATOM 903 NH2 ARG A 138 25.382 34.372 30.301 1.00 67.47 N -ATOM 904 N ASP A 139 34.281 34.579 27.419 1.00 25.49 N -ATOM 905 CA ASP A 139 35.444 34.759 26.560 1.00 24.82 C -ATOM 906 C ASP A 139 36.198 33.444 26.364 1.00 26.26 C -ATOM 907 O ASP A 139 36.140 32.506 27.156 1.00 23.27 O -ATOM 908 CB ASP A 139 36.425 35.720 27.293 1.00 22.27 C -ATOM 909 CG ASP A 139 35.922 37.163 27.266 1.00 22.20 C -ATOM 910 OD1 ASP A 139 36.346 37.942 28.109 1.00 23.65 O -ATOM 911 OD2 ASP A 139 35.116 37.531 26.373 1.00 23.33 O -ATOM 912 N THR A 140 36.912 33.373 25.226 1.00 21.46 N -ATOM 913 CA THR A 140 37.843 32.236 25.061 1.00 21.10 C -ATOM 914 C THR A 140 39.002 32.580 26.022 1.00 20.66 C -ATOM 915 O THR A 140 39.253 33.785 26.209 1.00 20.34 O -ATOM 916 CB THR A 140 38.368 32.276 23.586 1.00 24.12 C -ATOM 917 OG1 THR A 140 37.242 31.882 22.773 1.00 21.86 O -ATOM 918 CG2 THR A 140 39.544 31.371 23.389 1.00 22.80 C -ATOM 919 N MET A 141 39.495 31.605 26.757 1.00 19.23 N -ATOM 920 CA MET A 141 40.533 31.798 27.752 1.00 22.51 C -ATOM 921 C MET A 141 41.867 31.210 27.332 1.00 20.47 C -ATOM 922 O MET A 141 41.942 30.213 26.620 1.00 21.87 O -ATOM 923 CB MET A 141 40.098 31.151 29.088 1.00 21.40 C -ATOM 924 CG MET A 141 38.781 31.719 29.631 1.00 23.93 C -ATOM 925 SD MET A 141 38.742 33.451 29.981 1.00 21.38 S -ATOM 926 CE MET A 141 39.811 33.581 31.425 1.00 24.50 C -ATOM 927 N LYS A 142 42.949 31.861 27.768 1.00 22.00 N -ATOM 928 CA LYS A 142 44.277 31.399 27.422 1.00 21.45 C -ATOM 929 C LYS A 142 45.167 31.222 28.674 1.00 23.39 C -ATOM 930 O LYS A 142 45.098 32.026 29.598 1.00 21.82 O -ATOM 931 CB LYS A 142 44.990 32.463 26.556 1.00 19.95 C -ATOM 932 CG LYS A 142 44.218 32.810 25.291 1.00 19.42 C -ATOM 933 CD LYS A 142 44.021 31.672 24.312 1.00 20.14 C -ATOM 934 CE LYS A 142 43.264 32.251 23.056 1.00 21.36 C -ATOM 935 NZ LYS A 142 43.156 31.184 21.998 1.00 17.56 N -ATOM 936 N ARG A 143 45.998 30.197 28.623 1.00 22.17 N -ATOM 937 CA ARG A 143 47.017 30.015 29.678 1.00 24.92 C -ATOM 938 C ARG A 143 48.366 30.464 29.082 1.00 23.36 C -ATOM 939 O ARG A 143 48.749 29.997 27.995 1.00 27.00 O -ATOM 940 CB ARG A 143 47.134 28.543 30.067 1.00 25.63 C -ATOM 941 CG ARG A 143 48.245 28.323 31.119 1.00 27.95 C -ATOM 942 CD ARG A 143 47.725 28.707 32.491 1.00 28.05 C -ATOM 943 NE ARG A 143 46.539 27.868 32.873 1.00 26.06 N -ATOM 944 CZ ARG A 143 45.845 28.195 33.969 1.00 23.76 C -ATOM 945 NH1 ARG A 143 44.773 27.477 34.320 1.00 26.65 N -ATOM 946 NH2 ARG A 143 46.188 29.217 34.744 1.00 25.60 N -ATOM 947 N ALA A 144 49.068 31.363 29.742 1.00 26.56 N -ATOM 948 CA ALA A 144 50.337 31.864 29.248 1.00 25.84 C -ATOM 949 C ALA A 144 51.485 30.888 29.494 1.00 30.25 C -ATOM 950 O ALA A 144 51.366 30.016 30.371 1.00 28.19 O -ATOM 951 CB ALA A 144 50.668 33.175 29.981 1.00 30.90 C -ATOM 952 N GLU A 145 52.544 31.054 28.710 1.00 29.48 N -ATOM 953 CA GLU A 145 53.747 30.201 28.989 1.00 33.43 C -ATOM 954 C GLU A 145 54.334 30.788 30.269 1.00 31.27 C -ATOM 955 O GLU A 145 54.262 31.972 30.518 1.00 31.45 O -ATOM 956 CB GLU A 145 54.708 30.339 27.814 1.00 36.65 C -ATOM 957 CG GLU A 145 54.223 29.748 26.504 1.00 39.47 C -ATOM 958 CD GLU A 145 55.145 29.969 25.321 1.00 44.00 C -ATOM 959 OE1 GLU A 145 55.943 30.935 25.293 1.00 44.70 O -ATOM 960 OE2 GLU A 145 55.066 29.191 24.338 1.00 44.41 O -ATOM 961 N PRO A 146 54.865 29.956 31.168 1.00 35.07 N -ATOM 962 CA PRO A 146 55.415 30.430 32.419 1.00 34.62 C -ATOM 963 C PRO A 146 56.447 31.528 32.244 1.00 35.24 C -ATOM 964 O PRO A 146 57.401 31.339 31.470 1.00 38.18 O -ATOM 965 CB PRO A 146 56.068 29.168 33.000 1.00 36.64 C -ATOM 966 CG PRO A 146 55.307 28.034 32.417 1.00 35.31 C -ATOM 967 CD PRO A 146 54.896 28.486 31.027 1.00 34.29 C -ATOM 968 N GLY A 147 56.245 32.683 32.838 1.00 35.97 N -ATOM 969 CA GLY A 147 57.093 33.838 32.799 1.00 37.58 C -ATOM 970 C GLY A 147 57.186 34.568 31.477 1.00 40.32 C -ATOM 971 O GLY A 147 58.050 35.445 31.266 1.00 38.99 O -ATOM 972 N LYS A 148 56.292 34.249 30.528 1.00 38.91 N -ATOM 973 CA LYS A 148 56.347 34.926 29.225 1.00 39.57 C -ATOM 974 C LYS A 148 54.970 35.466 28.856 1.00 38.40 C -ATOM 975 O LYS A 148 53.947 35.040 29.412 1.00 37.50 O -ATOM 976 CB LYS A 148 56.895 33.986 28.165 1.00 40.43 C -ATOM 977 CG LYS A 148 58.176 33.247 28.462 1.00 43.24 C -ATOM 978 N ASN A 149 54.919 36.469 27.977 1.00 38.06 N -ATOM 979 CA ASN A 149 53.579 37.015 27.623 1.00 39.70 C -ATOM 980 C ASN A 149 53.184 36.459 26.254 1.00 38.09 C -ATOM 981 O ASN A 149 52.998 37.188 25.269 1.00 40.18 O -ATOM 982 CB ASN A 149 53.523 38.505 27.714 1.00 44.62 C -ATOM 983 CG ASN A 149 53.498 39.074 29.116 1.00 47.45 C -ATOM 984 OD1 ASN A 149 52.864 38.554 30.041 1.00 47.21 O -ATOM 985 ND2 ASN A 149 54.185 40.200 29.304 1.00 51.25 N -ATOM 986 N ALA A 150 53.163 35.157 26.186 1.00 34.06 N -ATOM 987 CA ALA A 150 52.835 34.363 25.035 1.00 32.19 C -ATOM 988 C ALA A 150 51.912 33.218 25.441 1.00 31.49 C -ATOM 989 O ALA A 150 51.907 32.686 26.557 1.00 28.59 O -ATOM 990 CB ALA A 150 54.060 33.872 24.317 1.00 36.06 C -ATOM 991 N ILE A 151 50.999 32.908 24.504 1.00 25.44 N -ATOM 992 CA ILE A 151 50.041 31.868 24.760 1.00 24.99 C -ATOM 993 C ILE A 151 50.625 30.482 24.730 1.00 26.39 C -ATOM 994 O ILE A 151 51.228 30.057 23.735 1.00 28.00 O -ATOM 995 CB ILE A 151 48.906 31.916 23.687 1.00 20.73 C -ATOM 996 CG1 ILE A 151 48.114 33.229 23.930 1.00 22.49 C -ATOM 997 CG2 ILE A 151 48.017 30.717 23.811 1.00 21.66 C -ATOM 998 CD1 ILE A 151 47.246 33.505 22.661 1.00 24.78 C -ATOM 999 N ALA A 152 50.411 29.741 25.818 1.00 25.33 N -ATOM 1000 CA ALA A 152 50.873 28.355 25.852 1.00 26.26 C -ATOM 1001 C ALA A 152 49.772 27.535 25.190 1.00 26.72 C -ATOM 1002 O ALA A 152 50.013 26.832 24.206 1.00 26.66 O -ATOM 1003 CB ALA A 152 51.154 27.913 27.289 1.00 28.97 C -ATOM 1004 N HIS A 153 48.515 27.742 25.608 1.00 26.66 N -ATOM 1005 CA HIS A 153 47.411 27.007 25.002 1.00 26.99 C -ATOM 1006 C HIS A 153 46.076 27.623 25.443 1.00 24.54 C -ATOM 1007 O HIS A 153 46.050 28.444 26.360 1.00 26.48 O -ATOM 1008 CB HIS A 153 47.385 25.524 25.345 1.00 29.55 C -ATOM 1009 CG HIS A 153 47.349 25.241 26.819 1.00 33.02 C -ATOM 1010 ND1 HIS A 153 46.189 25.292 27.560 1.00 36.74 N -ATOM 1011 CD2 HIS A 153 48.357 24.990 27.691 1.00 33.94 C -ATOM 1012 CE1 HIS A 153 46.482 25.087 28.837 1.00 35.97 C -ATOM 1013 NE2 HIS A 153 47.780 24.900 28.949 1.00 33.64 N -ATOM 1014 N THR A 154 45.009 27.159 24.791 1.00 24.47 N -ATOM 1015 CA THR A 154 43.673 27.666 25.195 1.00 23.21 C -ATOM 1016 C THR A 154 43.123 26.832 26.352 1.00 26.93 C -ATOM 1017 O THR A 154 43.408 25.644 26.472 1.00 28.70 O -ATOM 1018 CB THR A 154 42.721 27.561 23.993 1.00 23.87 C -ATOM 1019 OG1 THR A 154 43.147 28.522 23.033 1.00 24.73 O -ATOM 1020 CG2 THR A 154 41.277 27.831 24.397 1.00 23.45 C -ATOM 1021 N VAL A 155 42.431 27.506 27.267 1.00 27.33 N -ATOM 1022 CA VAL A 155 41.765 26.870 28.402 1.00 27.70 C -ATOM 1023 C VAL A 155 40.281 26.818 28.058 1.00 28.33 C -ATOM 1024 O VAL A 155 39.684 27.874 27.830 1.00 26.11 O -ATOM 1025 CB VAL A 155 41.940 27.672 29.711 1.00 29.07 C -ATOM 1026 CG1 VAL A 155 41.082 27.101 30.854 1.00 27.87 C -ATOM 1027 CG2 VAL A 155 43.401 27.666 30.138 1.00 29.61 C -ATOM 1028 N ASP A 156 39.731 25.610 27.982 1.00 28.86 N -ATOM 1029 CA ASP A 156 38.319 25.468 27.636 1.00 30.37 C -ATOM 1030 C ASP A 156 37.420 26.225 28.594 1.00 28.77 C -ATOM 1031 O ASP A 156 37.438 26.044 29.812 1.00 25.53 O -ATOM 1032 CB ASP A 156 37.950 23.983 27.545 1.00 35.43 C -ATOM 1033 CG ASP A 156 36.567 23.702 27.009 1.00 40.42 C -ATOM 1034 OD1 ASP A 156 36.153 22.510 27.029 1.00 48.04 O -ATOM 1035 OD2 ASP A 156 35.847 24.608 26.544 1.00 38.19 O -ATOM 1036 N ARG A 157 36.544 27.064 28.021 1.00 29.17 N -ATOM 1037 CA ARG A 157 35.631 27.878 28.816 1.00 28.90 C -ATOM 1038 C ARG A 157 34.337 27.190 29.120 1.00 29.68 C -ATOM 1039 O ARG A 157 33.491 27.705 29.859 1.00 26.38 O -ATOM 1040 CB ARG A 157 35.342 29.211 28.099 1.00 32.12 C -ATOM 1041 CG ARG A 157 34.598 29.034 26.772 1.00 34.65 C -ATOM 1042 CD ARG A 157 33.974 30.373 26.343 1.00 38.58 C -ATOM 1043 NE ARG A 157 32.779 30.192 25.576 1.00 51.20 N -ATOM 1044 CZ ARG A 157 32.261 30.900 24.597 1.00 57.79 C -ATOM 1045 NH1 ARG A 157 31.114 30.509 24.027 1.00 60.18 N -ATOM 1046 NH2 ARG A 157 32.847 31.996 24.128 1.00 62.00 N -ATOM 1047 N ASN A 158 34.092 26.037 28.433 1.00 28.84 N -ATOM 1048 CA ASN A 158 32.775 25.413 28.776 1.00 30.79 C -ATOM 1049 C ASN A 158 32.836 24.941 30.211 1.00 27.78 C -ATOM 1050 O ASN A 158 33.787 24.248 30.594 1.00 26.70 O -ATOM 1051 CB ASN A 158 32.518 24.234 27.833 1.00 36.75 C -ATOM 1052 CG ASN A 158 31.066 24.243 27.371 1.00 47.64 C -ATOM 1053 OD1 ASN A 158 30.195 23.650 28.001 1.00 48.01 O -ATOM 1054 ND2 ASN A 158 30.819 24.982 26.283 1.00 50.14 N -ATOM 1055 N GLY A 159 31.804 25.182 31.006 1.00 25.90 N -ATOM 1056 CA GLY A 159 31.839 24.732 32.417 1.00 23.80 C -ATOM 1057 C GLY A 159 32.721 25.652 33.275 1.00 24.73 C -ATOM 1058 O GLY A 159 32.965 25.311 34.455 1.00 24.38 O -ATOM 1059 N LEU A 160 33.199 26.753 32.781 1.00 22.54 N -ATOM 1060 CA LEU A 160 34.056 27.698 33.524 1.00 23.76 C -ATOM 1061 C LEU A 160 33.226 28.872 34.014 1.00 23.50 C -ATOM 1062 O LEU A 160 32.424 29.462 33.283 1.00 21.72 O -ATOM 1063 CB LEU A 160 35.198 28.144 32.600 1.00 27.65 C -ATOM 1064 CG LEU A 160 36.353 28.883 33.270 1.00 27.66 C -ATOM 1065 CD1 LEU A 160 37.087 27.951 34.247 1.00 25.84 C -ATOM 1066 CD2 LEU A 160 37.325 29.450 32.271 1.00 25.98 C -ATOM 1067 N TRP A 161 33.296 29.176 35.319 1.00 23.09 N -ATOM 1068 CA TRP A 161 32.506 30.216 35.920 1.00 22.21 C -ATOM 1069 C TRP A 161 33.283 31.191 36.813 1.00 21.58 C -ATOM 1070 O TRP A 161 34.273 30.833 37.442 1.00 19.90 O -ATOM 1071 CB TRP A 161 31.502 29.517 36.897 1.00 24.01 C -ATOM 1072 CG TRP A 161 30.455 28.675 36.269 1.00 25.26 C -ATOM 1073 CD1 TRP A 161 30.584 27.412 35.743 1.00 20.80 C -ATOM 1074 CD2 TRP A 161 29.068 29.015 36.138 1.00 25.80 C -ATOM 1075 NE1 TRP A 161 29.362 26.948 35.315 1.00 23.28 N -ATOM 1076 CE2 TRP A 161 28.431 27.938 35.507 1.00 28.20 C -ATOM 1077 CE3 TRP A 161 28.319 30.149 36.472 1.00 27.66 C -ATOM 1078 CZ2 TRP A 161 27.055 27.928 35.247 1.00 32.46 C -ATOM 1079 CZ3 TRP A 161 26.957 30.148 36.205 1.00 31.83 C -ATOM 1080 CH2 TRP A 161 26.348 29.047 35.585 1.00 34.24 C -ATOM 1081 N HIS A 162 32.847 32.449 36.804 1.00 21.88 N -ATOM 1082 CA HIS A 162 33.394 33.463 37.715 1.00 20.13 C -ATOM 1083 C HIS A 162 32.696 33.240 39.093 1.00 23.65 C -ATOM 1084 O HIS A 162 31.471 33.246 39.126 1.00 23.10 O -ATOM 1085 CB HIS A 162 32.968 34.851 37.262 1.00 23.33 C -ATOM 1086 CG HIS A 162 33.498 35.293 35.918 1.00 24.75 C -ATOM 1087 ND1 HIS A 162 34.692 35.977 35.799 1.00 23.55 N -ATOM 1088 CD2 HIS A 162 32.941 35.240 34.691 1.00 26.08 C -ATOM 1089 CE1 HIS A 162 34.864 36.287 34.512 1.00 25.74 C -ATOM 1090 NE2 HIS A 162 33.837 35.823 33.810 1.00 26.11 N -ATOM 1091 N ALA A 163 33.462 33.054 40.161 1.00 19.99 N -ATOM 1092 CA ALA A 163 32.832 32.869 41.465 1.00 21.96 C -ATOM 1093 C ALA A 163 32.409 34.221 42.035 1.00 20.96 C -ATOM 1094 O ALA A 163 33.150 35.187 41.891 1.00 23.61 O -ATOM 1095 CB ALA A 163 33.799 32.193 42.445 1.00 19.55 C -ATOM 1096 N LEU A 164 31.215 34.256 42.604 1.00 21.06 N -ATOM 1097 CA LEU A 164 30.753 35.528 43.226 1.00 20.17 C -ATOM 1098 C LEU A 164 30.384 35.183 44.703 1.00 21.65 C -ATOM 1099 O LEU A 164 30.644 34.071 45.169 1.00 19.54 O -ATOM 1100 CB LEU A 164 29.501 36.010 42.503 1.00 20.31 C -ATOM 1101 CG LEU A 164 29.626 36.177 40.959 1.00 20.14 C -ATOM 1102 CD1 LEU A 164 28.250 36.417 40.351 1.00 22.09 C -ATOM 1103 CD2 LEU A 164 30.554 37.350 40.650 1.00 24.08 C -ATOM 1104 N THR A 165 29.847 36.176 45.400 1.00 21.12 N -ATOM 1105 CA THR A 165 29.304 35.887 46.782 1.00 22.35 C -ATOM 1106 C THR A 165 27.923 36.545 46.720 1.00 23.87 C -ATOM 1107 O THR A 165 27.754 37.434 45.856 1.00 23.25 O -ATOM 1108 CB THR A 165 30.140 36.365 47.920 1.00 20.73 C -ATOM 1109 OG1 THR A 165 30.082 37.791 48.126 1.00 20.53 O -ATOM 1110 CG2 THR A 165 31.623 35.982 47.739 1.00 20.32 C -ATOM 1111 N PRO A 166 26.982 36.240 47.584 1.00 21.81 N -ATOM 1112 CA PRO A 166 27.142 35.349 48.689 1.00 19.85 C -ATOM 1113 C PRO A 166 27.422 33.886 48.357 1.00 20.04 C -ATOM 1114 O PRO A 166 27.209 33.402 47.234 1.00 20.89 O -ATOM 1115 CB PRO A 166 25.798 35.434 49.424 1.00 20.37 C -ATOM 1116 CG PRO A 166 25.202 36.751 49.031 1.00 22.05 C -ATOM 1117 CD PRO A 166 25.654 36.936 47.592 1.00 20.94 C -ATOM 1118 N GLN A 167 27.899 33.189 49.382 1.00 19.05 N -ATOM 1119 CA GLN A 167 28.161 31.716 49.333 1.00 18.77 C -ATOM 1120 C GLN A 167 27.291 31.211 50.496 1.00 20.90 C -ATOM 1121 O GLN A 167 27.432 31.785 51.606 1.00 21.32 O -ATOM 1122 CB GLN A 167 29.669 31.485 49.476 1.00 18.30 C -ATOM 1123 CG GLN A 167 30.431 32.194 48.307 1.00 20.53 C -ATOM 1124 CD GLN A 167 31.722 31.557 47.932 1.00 20.24 C -ATOM 1125 OE1 GLN A 167 32.265 30.678 48.641 1.00 19.31 O -ATOM 1126 NE2 GLN A 167 32.304 31.958 46.768 1.00 18.45 N -ATOM 1127 N PHE A 168 26.430 30.257 50.251 1.00 19.08 N -ATOM 1128 CA PHE A 168 25.417 29.800 51.206 1.00 20.11 C -ATOM 1129 C PHE A 168 25.536 28.348 51.557 1.00 20.03 C -ATOM 1130 O PHE A 168 25.499 27.474 50.692 1.00 20.13 O -ATOM 1131 CB PHE A 168 24.078 30.099 50.523 1.00 18.74 C -ATOM 1132 CG PHE A 168 22.860 29.869 51.392 1.00 19.18 C -ATOM 1133 CD1 PHE A 168 22.754 30.483 52.603 1.00 19.07 C -ATOM 1134 CD2 PHE A 168 21.776 29.186 50.831 1.00 22.59 C -ATOM 1135 CE1 PHE A 168 21.597 30.323 53.374 1.00 22.74 C -ATOM 1136 CE2 PHE A 168 20.620 29.006 51.606 1.00 24.07 C -ATOM 1137 CZ PHE A 168 20.549 29.571 52.852 1.00 21.03 C -ATOM 1138 N PHE A 169 25.704 28.047 52.869 1.00 20.19 N -ATOM 1139 CA PHE A 169 25.963 26.658 53.271 1.00 20.83 C -ATOM 1140 C PHE A 169 25.304 26.269 54.593 1.00 21.22 C -ATOM 1141 O PHE A 169 25.110 27.152 55.431 1.00 22.12 O -ATOM 1142 CB PHE A 169 27.489 26.496 53.565 1.00 19.58 C -ATOM 1143 CG PHE A 169 28.375 26.938 52.426 1.00 20.66 C -ATOM 1144 CD1 PHE A 169 28.558 26.108 51.334 1.00 25.13 C -ATOM 1145 CD2 PHE A 169 28.968 28.194 52.438 1.00 22.46 C -ATOM 1146 CE1 PHE A 169 29.348 26.520 50.256 1.00 26.21 C -ATOM 1147 CE2 PHE A 169 29.766 28.578 51.367 1.00 21.95 C -ATOM 1148 CZ PHE A 169 29.950 27.768 50.288 1.00 25.67 C -ATOM 1149 N PRO A 170 25.094 24.982 54.742 1.00 20.59 N -ATOM 1150 CA PRO A 170 24.534 24.487 56.033 1.00 23.75 C -ATOM 1151 C PRO A 170 25.538 24.908 57.098 1.00 23.33 C -ATOM 1152 O PRO A 170 26.764 24.848 56.847 1.00 25.18 O -ATOM 1153 CB PRO A 170 24.557 22.975 55.859 1.00 23.65 C -ATOM 1154 CG PRO A 170 24.513 22.742 54.397 1.00 23.07 C -ATOM 1155 CD PRO A 170 25.257 23.899 53.776 1.00 22.97 C -ATOM 1156 N ARG A 171 25.062 25.331 58.242 1.00 23.16 N -ATOM 1157 CA ARG A 171 25.951 25.828 59.309 1.00 23.53 C -ATOM 1158 C ARG A 171 26.936 24.797 59.797 1.00 22.79 C -ATOM 1159 O ARG A 171 28.152 25.071 59.875 1.00 23.80 O -ATOM 1160 CB ARG A 171 25.032 26.270 60.464 1.00 30.99 C -ATOM 1161 CG ARG A 171 25.574 27.466 61.242 1.00 38.14 C -ATOM 1162 CD ARG A 171 26.690 27.126 62.135 1.00 38.87 C -ATOM 1163 NE ARG A 171 26.753 27.733 63.417 1.00 36.13 N -ATOM 1164 CZ ARG A 171 25.878 28.276 64.223 1.00 40.58 C -ATOM 1165 NH1 ARG A 171 24.598 28.380 63.905 1.00 41.38 N -ATOM 1166 NH2 ARG A 171 26.307 28.732 65.418 1.00 33.75 N -ATOM 1167 N GLU A 172 26.541 23.560 60.029 1.00 21.70 N -ATOM 1168 CA GLU A 172 27.460 22.559 60.552 1.00 24.36 C -ATOM 1169 C GLU A 172 28.522 22.122 59.539 1.00 22.15 C -ATOM 1170 O GLU A 172 29.704 22.003 59.877 1.00 23.47 O -ATOM 1171 CB GLU A 172 26.687 21.355 61.074 1.00 28.91 C -ATOM 1172 CG GLU A 172 27.553 20.171 61.464 1.00 35.55 C -ATOM 1173 N LEU A 173 28.118 21.883 58.325 1.00 24.81 N -ATOM 1174 CA LEU A 173 29.059 21.471 57.255 1.00 21.95 C -ATOM 1175 C LEU A 173 30.121 22.525 57.065 1.00 23.11 C -ATOM 1176 O LEU A 173 31.316 22.254 56.959 1.00 21.04 O -ATOM 1177 CB LEU A 173 28.261 21.220 55.988 1.00 25.81 C -ATOM 1178 CG LEU A 173 29.105 20.729 54.780 1.00 24.28 C -ATOM 1179 CD1 LEU A 173 29.699 19.367 55.157 1.00 31.10 C -ATOM 1180 CD2 LEU A 173 28.241 20.642 53.549 1.00 28.42 C -ATOM 1181 N LEU A 174 29.667 23.814 56.970 1.00 20.49 N -ATOM 1182 CA LEU A 174 30.631 24.882 56.818 1.00 21.29 C -ATOM 1183 C LEU A 174 31.589 24.945 57.987 1.00 20.00 C -ATOM 1184 O LEU A 174 32.801 24.988 57.836 1.00 20.79 O -ATOM 1185 CB LEU A 174 29.955 26.248 56.616 1.00 22.50 C -ATOM 1186 CG LEU A 174 30.916 27.410 56.394 1.00 21.80 C -ATOM 1187 CD1 LEU A 174 31.722 27.230 55.098 1.00 24.98 C -ATOM 1188 CD2 LEU A 174 30.154 28.738 56.349 1.00 22.40 C -ATOM 1189 N HIS A 175 31.046 24.961 59.226 1.00 20.24 N -ATOM 1190 CA HIS A 175 31.925 25.006 60.383 1.00 22.57 C -ATOM 1191 C HIS A 175 32.922 23.844 60.408 1.00 20.53 C -ATOM 1192 O HIS A 175 34.127 24.045 60.610 1.00 21.18 O -ATOM 1193 CB HIS A 175 31.059 24.880 61.677 1.00 22.57 C -ATOM 1194 CG HIS A 175 31.925 24.714 62.894 1.00 26.83 C -ATOM 1195 ND1 HIS A 175 32.405 23.479 63.271 1.00 27.66 N -ATOM 1196 CD2 HIS A 175 32.443 25.623 63.758 1.00 29.25 C -ATOM 1197 CE1 HIS A 175 33.136 23.635 64.385 1.00 29.95 C -ATOM 1198 NE2 HIS A 175 33.187 24.911 64.688 1.00 28.33 N -ATOM 1199 N ASP A 176 32.435 22.653 60.164 1.00 22.38 N -ATOM 1200 CA ASP A 176 33.301 21.469 60.252 1.00 23.08 C -ATOM 1201 C ASP A 176 34.360 21.439 59.177 1.00 24.00 C -ATOM 1202 O ASP A 176 35.544 21.109 59.416 1.00 23.19 O -ATOM 1203 CB ASP A 176 32.454 20.208 60.271 1.00 26.04 C -ATOM 1204 CG ASP A 176 31.632 20.079 61.552 1.00 26.69 C -ATOM 1205 OD1 ASP A 176 30.858 19.108 61.633 1.00 27.42 O -ATOM 1206 OD2 ASP A 176 31.714 20.913 62.460 1.00 23.82 O -ATOM 1207 N CYS A 177 33.932 21.754 57.951 1.00 20.62 N -ATOM 1208 CA CYS A 177 34.918 21.756 56.879 1.00 22.07 C -ATOM 1209 C CYS A 177 35.959 22.843 57.027 1.00 21.71 C -ATOM 1210 O CYS A 177 37.164 22.658 56.750 1.00 24.28 O -ATOM 1211 CB CYS A 177 34.249 21.909 55.542 1.00 23.59 C -ATOM 1212 SG ACYS A 177 35.271 21.768 54.155 0.65 19.45 S -ATOM 1213 SG BCYS A 177 33.285 20.719 54.745 0.35 19.78 S -ATOM 1214 N LEU A 178 35.497 24.111 57.226 1.00 21.58 N -ATOM 1215 CA LEU A 178 36.422 25.205 57.374 1.00 22.45 C -ATOM 1216 C LEU A 178 37.429 24.889 58.492 1.00 21.61 C -ATOM 1217 O LEU A 178 38.612 25.203 58.372 1.00 22.26 O -ATOM 1218 CB LEU A 178 35.703 26.508 57.778 1.00 22.48 C -ATOM 1219 CG LEU A 178 35.757 27.698 56.871 1.00 31.79 C -ATOM 1220 CD1 LEU A 178 35.243 28.944 57.597 1.00 30.62 C -ATOM 1221 CD2 LEU A 178 37.150 27.952 56.298 1.00 34.02 C -ATOM 1222 N THR A 179 36.910 24.401 59.628 1.00 24.00 N -ATOM 1223 CA THR A 179 37.822 24.076 60.733 1.00 21.00 C -ATOM 1224 C THR A 179 38.876 23.072 60.270 1.00 22.60 C -ATOM 1225 O THR A 179 40.067 23.265 60.495 1.00 23.31 O -ATOM 1226 CB THR A 179 37.023 23.450 61.902 1.00 25.66 C -ATOM 1227 OG1 THR A 179 36.085 24.447 62.358 1.00 24.54 O -ATOM 1228 CG2 THR A 179 37.938 23.091 63.066 1.00 25.36 C -ATOM 1229 N ARG A 180 38.416 21.964 59.669 1.00 21.77 N -ATOM 1230 CA ARG A 180 39.394 20.958 59.227 1.00 21.80 C -ATOM 1231 C ARG A 180 40.380 21.476 58.212 1.00 21.51 C -ATOM 1232 O ARG A 180 41.603 21.307 58.361 1.00 23.05 O -ATOM 1233 CB ARG A 180 38.654 19.720 58.664 1.00 22.05 C -ATOM 1234 CG ARG A 180 39.686 18.672 58.157 1.00 20.97 C -ATOM 1235 CD ARG A 180 40.531 18.182 59.351 1.00 19.17 C -ATOM 1236 NE ARG A 180 39.714 17.573 60.380 1.00 22.98 N -ATOM 1237 CZ ARG A 180 39.210 16.347 60.414 1.00 24.23 C -ATOM 1238 NH1 ARG A 180 38.459 16.009 61.482 1.00 19.45 N -ATOM 1239 NH2 ARG A 180 39.444 15.438 59.482 1.00 23.54 N -ATOM 1240 N ALA A 181 39.928 22.223 57.219 1.00 21.33 N -ATOM 1241 CA ALA A 181 40.825 22.767 56.173 1.00 24.12 C -ATOM 1242 C ALA A 181 41.881 23.661 56.779 1.00 27.02 C -ATOM 1243 O ALA A 181 43.067 23.614 56.457 1.00 27.24 O -ATOM 1244 CB ALA A 181 39.998 23.518 55.144 1.00 23.70 C -ATOM 1245 N LEU A 182 41.424 24.563 57.681 1.00 25.03 N -ATOM 1246 CA LEU A 182 42.374 25.463 58.315 1.00 28.78 C -ATOM 1247 C LEU A 182 43.386 24.705 59.166 1.00 28.87 C -ATOM 1248 O LEU A 182 44.574 24.982 59.066 1.00 30.41 O -ATOM 1249 CB LEU A 182 41.636 26.477 59.172 1.00 29.47 C -ATOM 1250 CG LEU A 182 40.924 27.613 58.431 1.00 35.14 C -ATOM 1251 CD1 LEU A 182 40.307 28.526 59.499 1.00 35.04 C -ATOM 1252 CD2 LEU A 182 41.884 28.404 57.560 1.00 37.53 C -ATOM 1253 N ASN A 183 42.938 23.718 59.929 1.00 30.09 N -ATOM 1254 CA ASN A 183 43.848 22.930 60.776 1.00 31.16 C -ATOM 1255 C ASN A 183 44.876 22.192 59.941 1.00 31.44 C -ATOM 1256 O ASN A 183 46.053 22.090 60.301 1.00 34.27 O -ATOM 1257 CB ASN A 183 43.038 21.904 61.591 1.00 29.08 C -ATOM 1258 CG ASN A 183 42.342 22.565 62.772 1.00 32.16 C -ATOM 1259 OD1 ASN A 183 42.601 23.735 63.062 1.00 38.78 O -ATOM 1260 ND2 ASN A 183 41.457 21.850 63.435 1.00 30.82 N -ATOM 1261 N GLU A 184 44.458 21.645 58.804 1.00 30.82 N -ATOM 1262 CA GLU A 184 45.321 20.935 57.901 1.00 28.65 C -ATOM 1263 C GLU A 184 46.131 21.869 57.007 1.00 29.60 C -ATOM 1264 O GLU A 184 46.898 21.414 56.147 1.00 29.44 O -ATOM 1265 CB GLU A 184 44.491 19.976 57.009 1.00 26.60 C -ATOM 1266 CG GLU A 184 43.945 18.792 57.828 1.00 29.52 C -ATOM 1267 CD GLU A 184 45.111 17.899 58.260 1.00 31.11 C -ATOM 1268 OE1 GLU A 184 45.696 17.258 57.348 1.00 28.64 O -ATOM 1269 OE2 GLU A 184 45.390 17.876 59.461 1.00 33.41 O -ATOM 1270 N GLY A 185 45.969 23.168 57.143 1.00 31.28 N -ATOM 1271 CA GLY A 185 46.732 24.141 56.367 1.00 31.37 C -ATOM 1272 C GLY A 185 46.396 24.236 54.933 1.00 32.15 C -ATOM 1273 O GLY A 185 47.219 24.600 54.033 1.00 33.13 O -ATOM 1274 N ALA A 186 45.156 23.929 54.563 1.00 31.34 N -ATOM 1275 CA ALA A 186 44.731 24.033 53.184 1.00 30.51 C -ATOM 1276 C ALA A 186 44.811 25.506 52.732 1.00 32.22 C -ATOM 1277 O ALA A 186 44.764 26.382 53.584 1.00 30.42 O -ATOM 1278 CB ALA A 186 43.273 23.591 53.078 1.00 32.30 C -ATOM 1279 N THR A 187 44.925 25.697 51.435 1.00 31.51 N -ATOM 1280 CA THR A 187 44.974 27.026 50.800 1.00 34.33 C -ATOM 1281 C THR A 187 43.536 27.445 50.492 1.00 32.67 C -ATOM 1282 O THR A 187 42.911 27.005 49.521 1.00 37.21 O -ATOM 1283 CB THR A 187 45.820 26.997 49.519 1.00 38.02 C -ATOM 1284 OG1 THR A 187 47.150 26.527 49.824 1.00 42.99 O -ATOM 1285 CG2 THR A 187 45.932 28.367 48.876 1.00 42.20 C -ATOM 1286 N ILE A 188 42.977 28.279 51.344 1.00 33.53 N -ATOM 1287 CA ILE A 188 41.571 28.679 51.235 1.00 32.58 C -ATOM 1288 C ILE A 188 41.407 30.062 50.616 1.00 34.40 C -ATOM 1289 O ILE A 188 41.997 31.045 51.070 1.00 35.27 O -ATOM 1290 CB ILE A 188 40.929 28.677 52.629 1.00 34.29 C -ATOM 1291 CG1 ILE A 188 41.077 27.294 53.292 1.00 36.32 C -ATOM 1292 CG2 ILE A 188 39.455 29.082 52.610 1.00 33.72 C -ATOM 1293 CD1 ILE A 188 40.532 27.248 54.702 1.00 36.32 C -ATOM 1294 N THR A 189 40.575 30.137 49.596 1.00 29.40 N -ATOM 1295 CA THR A 189 40.271 31.422 48.969 1.00 29.42 C -ATOM 1296 C THR A 189 38.869 31.823 49.436 1.00 27.52 C -ATOM 1297 O THR A 189 38.789 32.539 50.430 1.00 29.08 O -ATOM 1298 CB THR A 189 40.366 31.322 47.454 1.00 30.10 C -ATOM 1299 OG1 THR A 189 39.748 30.103 47.028 1.00 29.98 O -ATOM 1300 CG2 THR A 189 41.849 31.255 47.034 1.00 33.90 C -ATOM 1301 N ASP A 190 37.825 31.226 48.867 1.00 24.69 N -ATOM 1302 CA ASP A 190 36.459 31.500 49.320 1.00 22.26 C -ATOM 1303 C ASP A 190 35.948 30.310 50.141 1.00 21.98 C -ATOM 1304 O ASP A 190 36.665 29.324 50.298 1.00 22.28 O -ATOM 1305 CB ASP A 190 35.503 31.804 48.177 1.00 20.86 C -ATOM 1306 CG ASP A 190 35.448 30.748 47.093 1.00 22.29 C -ATOM 1307 OD1 ASP A 190 34.794 30.995 46.065 1.00 21.88 O -ATOM 1308 OD2 ASP A 190 36.010 29.633 47.250 1.00 23.85 O -ATOM 1309 N GLU A 191 34.714 30.441 50.639 1.00 21.14 N -ATOM 1310 CA GLU A 191 34.163 29.366 51.476 1.00 20.53 C -ATOM 1311 C GLU A 191 34.009 28.134 50.627 1.00 18.76 C -ATOM 1312 O GLU A 191 34.252 27.014 51.105 1.00 18.98 O -ATOM 1313 CB GLU A 191 32.880 29.775 52.168 1.00 21.05 C -ATOM 1314 CG GLU A 191 33.061 30.819 53.270 1.00 24.06 C -ATOM 1315 CD GLU A 191 33.607 32.128 52.705 1.00 28.09 C -ATOM 1316 OE1 GLU A 191 33.145 32.582 51.634 1.00 26.56 O -ATOM 1317 OE2 GLU A 191 34.541 32.672 53.298 1.00 29.87 O -ATOM 1318 N ALA A 192 33.547 28.296 49.372 1.00 18.33 N -ATOM 1319 CA ALA A 192 33.441 27.104 48.508 1.00 17.78 C -ATOM 1320 C ALA A 192 34.732 26.321 48.464 1.00 20.04 C -ATOM 1321 O ALA A 192 34.717 25.062 48.398 1.00 19.96 O -ATOM 1322 CB ALA A 192 33.074 27.538 47.069 1.00 16.12 C -ATOM 1323 N SER A 193 35.878 27.001 48.400 1.00 19.57 N -ATOM 1324 CA SER A 193 37.179 26.274 48.303 1.00 21.38 C -ATOM 1325 C SER A 193 37.420 25.415 49.526 1.00 21.37 C -ATOM 1326 O SER A 193 38.137 24.372 49.419 1.00 20.07 O -ATOM 1327 CB SER A 193 38.312 27.268 48.064 1.00 20.87 C -ATOM 1328 OG SER A 193 38.672 27.972 49.246 1.00 23.37 O -ATOM 1329 N ALA A 194 36.885 25.748 50.693 1.00 21.46 N -ATOM 1330 CA ALA A 194 37.045 24.872 51.859 1.00 21.52 C -ATOM 1331 C ALA A 194 36.203 23.617 51.648 1.00 21.38 C -ATOM 1332 O ALA A 194 36.676 22.506 51.876 1.00 21.24 O -ATOM 1333 CB ALA A 194 36.629 25.553 53.169 1.00 20.74 C -ATOM 1334 N LEU A 195 34.964 23.780 51.140 1.00 18.27 N -ATOM 1335 CA LEU A 195 34.121 22.626 50.878 1.00 20.28 C -ATOM 1336 C LEU A 195 34.796 21.727 49.833 1.00 20.76 C -ATOM 1337 O LEU A 195 34.753 20.490 49.904 1.00 20.21 O -ATOM 1338 CB LEU A 195 32.701 23.038 50.455 1.00 19.52 C -ATOM 1339 CG LEU A 195 31.729 23.148 51.682 1.00 22.64 C -ATOM 1340 CD1 LEU A 195 32.171 24.363 52.490 1.00 26.40 C -ATOM 1341 CD2 LEU A 195 30.302 23.265 51.200 1.00 31.92 C -ATOM 1342 N GLU A 196 35.442 22.340 48.853 1.00 18.83 N -ATOM 1343 CA GLU A 196 36.157 21.596 47.800 1.00 18.38 C -ATOM 1344 C GLU A 196 37.276 20.754 48.394 1.00 20.93 C -ATOM 1345 O GLU A 196 37.519 19.568 48.041 1.00 21.25 O -ATOM 1346 CB GLU A 196 36.753 22.624 46.816 1.00 19.89 C -ATOM 1347 CG GLU A 196 35.635 23.386 46.089 1.00 27.45 C -ATOM 1348 CD GLU A 196 36.205 24.577 45.295 1.00 28.88 C -ATOM 1349 OE1 GLU A 196 35.423 25.539 45.168 1.00 27.02 O -ATOM 1350 OE2 GLU A 196 37.397 24.492 44.911 1.00 31.03 O -ATOM 1351 N TYR A 197 38.020 21.370 49.295 1.00 17.73 N -ATOM 1352 CA TYR A 197 39.129 20.668 49.961 1.00 21.34 C -ATOM 1353 C TYR A 197 38.641 19.435 50.704 1.00 20.98 C -ATOM 1354 O TYR A 197 39.280 18.385 50.669 1.00 19.77 O -ATOM 1355 CB TYR A 197 39.745 21.650 50.991 1.00 24.02 C -ATOM 1356 CG TYR A 197 40.903 20.984 51.712 1.00 27.12 C -ATOM 1357 CD1 TYR A 197 42.111 20.959 51.015 1.00 30.57 C -ATOM 1358 CD2 TYR A 197 40.798 20.354 52.931 1.00 30.09 C -ATOM 1359 CE1 TYR A 197 43.218 20.381 51.565 1.00 31.51 C -ATOM 1360 CE2 TYR A 197 41.933 19.735 53.499 1.00 32.03 C -ATOM 1361 CZ TYR A 197 43.108 19.756 52.791 1.00 32.07 C -ATOM 1362 OH TYR A 197 44.273 19.184 53.273 1.00 36.79 O -ATOM 1363 N CYS A 198 37.449 19.540 51.319 1.00 18.64 N -ATOM 1364 CA CYS A 198 36.871 18.447 52.073 1.00 21.76 C -ATOM 1365 C CYS A 198 36.179 17.413 51.199 1.00 20.82 C -ATOM 1366 O CYS A 198 35.827 16.350 51.738 1.00 23.70 O -ATOM 1367 CB CYS A 198 35.867 18.978 53.123 1.00 22.65 C -ATOM 1368 SG CYS A 198 36.553 20.121 54.336 1.00 21.10 S -ATOM 1369 N GLY A 199 36.050 17.667 49.913 1.00 20.78 N -ATOM 1370 CA GLY A 199 35.478 16.721 48.981 1.00 19.84 C -ATOM 1371 C GLY A 199 34.043 16.941 48.601 1.00 23.77 C -ATOM 1372 O GLY A 199 33.367 16.008 48.121 1.00 24.16 O -ATOM 1373 N PHE A 200 33.488 18.117 48.907 1.00 21.86 N -ATOM 1374 CA PHE A 200 32.140 18.461 48.606 1.00 22.79 C -ATOM 1375 C PHE A 200 32.102 19.361 47.361 1.00 23.97 C -ATOM 1376 O PHE A 200 33.108 19.837 46.854 1.00 23.52 O -ATOM 1377 CB PHE A 200 31.402 19.116 49.780 1.00 20.68 C -ATOM 1378 CG PHE A 200 31.425 18.233 51.015 1.00 25.47 C -ATOM 1379 CD1 PHE A 200 32.394 18.390 51.979 1.00 29.31 C -ATOM 1380 CD2 PHE A 200 30.478 17.244 51.178 1.00 30.34 C -ATOM 1381 CE1 PHE A 200 32.414 17.579 53.114 1.00 27.84 C -ATOM 1382 CE2 PHE A 200 30.491 16.419 52.301 1.00 31.32 C -ATOM 1383 CZ PHE A 200 31.474 16.573 53.242 1.00 27.88 C -ATOM 1384 N HIS A 201 30.906 19.395 46.776 1.00 19.96 N -ATOM 1385 CA HIS A 201 30.679 20.124 45.534 1.00 23.49 C -ATOM 1386 C HIS A 201 29.477 21.049 45.636 1.00 22.39 C -ATOM 1387 O HIS A 201 28.370 20.688 45.256 1.00 22.84 O -ATOM 1388 CB HIS A 201 30.426 19.105 44.397 1.00 25.56 C -ATOM 1389 CG HIS A 201 31.567 18.141 44.307 1.00 29.07 C -ATOM 1390 ND1 HIS A 201 32.713 18.394 43.628 1.00 30.20 N -ATOM 1391 CD2 HIS A 201 31.716 16.908 44.896 1.00 33.92 C -ATOM 1392 CE1 HIS A 201 33.546 17.373 43.774 1.00 31.67 C -ATOM 1393 NE2 HIS A 201 32.952 16.465 44.531 1.00 35.48 N -ATOM 1394 N PRO A 202 29.749 22.283 46.032 1.00 22.81 N -ATOM 1395 CA PRO A 202 28.711 23.295 46.151 1.00 22.90 C -ATOM 1396 C PRO A 202 28.103 23.591 44.774 1.00 22.40 C -ATOM 1397 O PRO A 202 28.743 23.477 43.719 1.00 21.08 O -ATOM 1398 CB PRO A 202 29.435 24.476 46.746 1.00 21.87 C -ATOM 1399 CG PRO A 202 30.729 23.970 47.320 1.00 21.01 C -ATOM 1400 CD PRO A 202 31.088 22.793 46.418 1.00 21.04 C -ATOM 1401 N GLN A 203 26.818 23.915 44.785 1.00 22.00 N -ATOM 1402 CA GLN A 203 26.067 24.201 43.542 1.00 22.26 C -ATOM 1403 C GLN A 203 26.447 25.587 43.031 1.00 23.20 C -ATOM 1404 O GLN A 203 26.746 26.498 43.826 1.00 22.47 O -ATOM 1405 CB GLN A 203 24.570 24.211 43.896 1.00 27.04 C -ATOM 1406 CG GLN A 203 23.937 22.858 44.110 1.00 33.50 C -ATOM 1407 N LEU A 204 26.390 25.734 41.720 1.00 20.94 N -ATOM 1408 CA LEU A 204 26.614 27.025 41.063 1.00 20.76 C -ATOM 1409 C LEU A 204 25.234 27.612 40.681 1.00 24.55 C -ATOM 1410 O LEU A 204 24.471 26.950 39.952 1.00 23.81 O -ATOM 1411 CB LEU A 204 27.453 26.776 39.809 1.00 21.06 C -ATOM 1412 CG LEU A 204 28.937 26.432 40.073 1.00 22.82 C -ATOM 1413 CD1 LEU A 204 29.556 25.700 38.886 1.00 22.16 C -ATOM 1414 CD2 LEU A 204 29.721 27.698 40.377 1.00 26.20 C -ATOM 1415 N VAL A 205 24.836 28.706 41.312 1.00 21.05 N -ATOM 1416 CA VAL A 205 23.543 29.368 40.992 1.00 23.31 C -ATOM 1417 C VAL A 205 23.890 30.605 40.167 1.00 23.36 C -ATOM 1418 O VAL A 205 24.588 31.498 40.634 1.00 23.80 O -ATOM 1419 CB VAL A 205 22.852 29.774 42.319 1.00 23.74 C -ATOM 1420 CG1 VAL A 205 21.587 30.577 42.105 1.00 25.24 C -ATOM 1421 CG2 VAL A 205 22.519 28.512 43.136 1.00 22.87 C -ATOM 1422 N GLU A 206 23.399 30.703 38.909 1.00 25.33 N -ATOM 1423 CA GLU A 206 23.753 31.853 38.107 1.00 25.43 C -ATOM 1424 C GLU A 206 23.173 33.142 38.654 1.00 27.23 C -ATOM 1425 O GLU A 206 21.988 33.194 39.030 1.00 28.70 O -ATOM 1426 CB GLU A 206 23.394 31.666 36.609 1.00 26.10 C -ATOM 1427 CG GLU A 206 23.791 32.914 35.796 1.00 26.05 C -ATOM 1428 CD GLU A 206 23.657 32.701 34.287 1.00 32.15 C -ATOM 1429 OE1 GLU A 206 24.071 33.617 33.543 1.00 27.71 O -ATOM 1430 OE2 GLU A 206 23.226 31.618 33.889 1.00 31.94 O -ATOM 1431 N GLY A 207 24.027 34.139 38.794 1.00 26.48 N -ATOM 1432 CA GLY A 207 23.581 35.463 39.261 1.00 29.18 C -ATOM 1433 C GLY A 207 24.032 36.509 38.253 1.00 30.42 C -ATOM 1434 O GLY A 207 24.907 36.249 37.414 1.00 30.04 O -ATOM 1435 N ARG A 208 23.504 37.732 38.338 1.00 29.69 N -ATOM 1436 CA ARG A 208 23.912 38.770 37.411 1.00 28.95 C -ATOM 1437 C ARG A 208 25.373 39.153 37.563 1.00 30.55 C -ATOM 1438 O ARG A 208 25.941 39.158 38.648 1.00 29.74 O -ATOM 1439 CB ARG A 208 23.034 40.024 37.582 1.00 35.51 C -ATOM 1440 CG ARG A 208 21.613 39.830 37.036 1.00 41.33 C -ATOM 1441 CD ARG A 208 20.889 41.191 36.977 1.00 44.71 C -ATOM 1442 NE ARG A 208 19.456 41.003 36.738 1.00 47.27 N -ATOM 1443 CZ ARG A 208 18.630 40.434 37.610 1.00 49.34 C -ATOM 1444 NH1 ARG A 208 17.336 40.275 37.346 1.00 48.46 N -ATOM 1445 NH2 ARG A 208 19.104 40.027 38.787 1.00 44.15 N -ATOM 1446 N ALA A 209 26.008 39.550 36.448 1.00 31.07 N -ATOM 1447 CA ALA A 209 27.415 39.929 36.441 1.00 30.98 C -ATOM 1448 C ALA A 209 27.685 41.335 36.903 1.00 29.95 C -ATOM 1449 O ALA A 209 28.835 41.776 37.074 1.00 30.58 O -ATOM 1450 CB ALA A 209 27.989 39.700 35.022 1.00 37.89 C -ATOM 1451 N ASP A 210 26.659 42.086 37.291 1.00 29.39 N -ATOM 1452 CA ASP A 210 26.888 43.426 37.849 1.00 29.72 C -ATOM 1453 C ASP A 210 27.194 43.292 39.325 1.00 28.89 C -ATOM 1454 O ASP A 210 27.346 44.284 40.055 1.00 26.90 O -ATOM 1455 CB ASP A 210 25.687 44.327 37.570 1.00 34.53 C -ATOM 1456 CG ASP A 210 24.389 43.888 38.167 1.00 37.97 C -ATOM 1457 OD1 ASP A 210 23.373 44.655 38.136 1.00 39.16 O -ATOM 1458 OD2 ASP A 210 24.294 42.772 38.729 1.00 32.11 O -ATOM 1459 N ASN A 211 27.290 42.046 39.810 1.00 26.26 N -ATOM 1460 CA ASN A 211 27.654 41.806 41.233 1.00 25.23 C -ATOM 1461 C ASN A 211 29.172 41.898 41.285 1.00 26.61 C -ATOM 1462 O ASN A 211 29.909 40.931 41.163 1.00 28.27 O -ATOM 1463 CB ASN A 211 27.195 40.411 41.641 1.00 23.70 C -ATOM 1464 CG ASN A 211 27.550 40.041 43.066 1.00 26.94 C -ATOM 1465 OD1 ASN A 211 28.171 40.803 43.815 1.00 27.83 O -ATOM 1466 ND2 ASN A 211 27.136 38.834 43.502 1.00 20.60 N -ATOM 1467 N ILE A 212 29.698 43.145 41.240 1.00 29.42 N -ATOM 1468 CA ILE A 212 31.122 43.325 41.216 1.00 27.79 C -ATOM 1469 C ILE A 212 31.742 43.512 42.580 1.00 28.11 C -ATOM 1470 O ILE A 212 31.087 43.976 43.513 1.00 30.09 O -ATOM 1471 CB ILE A 212 31.521 44.521 40.319 1.00 35.05 C -ATOM 1472 CG1 ILE A 212 30.719 45.763 40.712 1.00 36.49 C -ATOM 1473 CG2 ILE A 212 31.287 44.215 38.837 1.00 31.02 C -ATOM 1474 CD1 ILE A 212 31.178 46.477 41.930 1.00 44.11 C -ATOM 1475 N LYS A 213 33.045 43.255 42.666 1.00 28.06 N -ATOM 1476 CA LYS A 213 33.803 43.448 43.885 1.00 29.10 C -ATOM 1477 C LYS A 213 34.659 44.716 43.731 1.00 33.09 C -ATOM 1478 O LYS A 213 35.475 44.815 42.807 1.00 31.11 O -ATOM 1479 CB LYS A 213 34.724 42.279 44.216 1.00 33.68 C -ATOM 1480 CG LYS A 213 35.359 42.401 45.617 1.00 33.66 C -ATOM 1481 CD LYS A 213 36.089 41.090 45.944 1.00 37.78 C -ATOM 1482 CE LYS A 213 37.142 41.348 47.022 1.00 40.26 C -ATOM 1483 NZ LYS A 213 37.769 40.076 47.478 1.00 40.26 N -ATOM 1484 N VAL A 214 34.394 45.685 44.591 1.00 31.86 N -ATOM 1485 CA VAL A 214 35.134 46.950 44.511 1.00 33.03 C -ATOM 1486 C VAL A 214 36.574 46.756 44.947 1.00 35.65 C -ATOM 1487 O VAL A 214 36.949 46.561 46.097 1.00 33.81 O -ATOM 1488 CB VAL A 214 34.418 48.078 45.216 1.00 30.84 C -ATOM 1489 CG1 VAL A 214 35.200 49.384 45.146 1.00 32.32 C -ATOM 1490 CG2 VAL A 214 33.013 48.253 44.673 1.00 34.54 C -ATOM 1491 N THR A 215 37.407 46.701 43.910 1.00 38.26 N -ATOM 1492 CA THR A 215 38.814 46.492 43.899 1.00 43.54 C -ATOM 1493 C THR A 215 39.197 45.082 44.356 1.00 47.52 C -ATOM 1494 O THR A 215 38.466 44.118 44.011 1.00 47.34 O -ATOM 1495 CB THR A 215 39.628 47.571 44.614 1.00 47.40 C -ATOM 1496 OG1 THR A 215 39.408 48.831 43.915 1.00 46.09 O -ATOM 1497 CG2 THR A 215 41.127 47.291 44.574 1.00 44.25 C -ATOM 1498 N GLU A 218 38.606 52.623 40.139 1.00 52.31 N -ATOM 1499 CA GLU A 218 37.763 52.665 38.947 1.00 53.13 C -ATOM 1500 C GLU A 218 36.437 51.955 39.155 1.00 53.33 C -ATOM 1501 O GLU A 218 35.401 52.316 38.595 1.00 54.96 O -ATOM 1502 CB GLU A 218 38.513 51.992 37.782 1.00 57.02 C -ATOM 1503 N ASP A 219 36.465 50.942 40.020 1.00 51.65 N -ATOM 1504 CA ASP A 219 35.327 50.121 40.367 1.00 47.12 C -ATOM 1505 C ASP A 219 34.165 50.913 40.946 1.00 43.96 C -ATOM 1506 O ASP A 219 32.993 50.538 40.809 1.00 41.69 O -ATOM 1507 CB ASP A 219 35.770 49.054 41.386 1.00 47.11 C -ATOM 1508 CG ASP A 219 36.572 47.930 40.779 1.00 49.73 C -ATOM 1509 OD1 ASP A 219 36.255 47.509 39.646 1.00 50.86 O -ATOM 1510 OD2 ASP A 219 37.517 47.431 41.433 1.00 49.72 O -ATOM 1511 N LEU A 220 34.503 51.998 41.636 1.00 42.28 N -ATOM 1512 CA LEU A 220 33.523 52.841 42.290 1.00 40.40 C -ATOM 1513 C LEU A 220 32.505 53.372 41.315 1.00 38.35 C -ATOM 1514 O LEU A 220 31.293 53.218 41.479 1.00 36.77 O -ATOM 1515 CB LEU A 220 34.241 53.981 43.045 1.00 42.80 C -ATOM 1516 CG LEU A 220 33.596 54.381 44.373 1.00 46.55 C -ATOM 1517 CD1 LEU A 220 33.476 53.172 45.304 1.00 44.77 C -ATOM 1518 CD2 LEU A 220 34.408 55.485 45.046 1.00 47.81 C -ATOM 1519 N ALA A 221 33.031 54.002 40.246 1.00 36.63 N -ATOM 1520 CA ALA A 221 32.159 54.563 39.231 1.00 37.42 C -ATOM 1521 C ALA A 221 31.257 53.494 38.630 1.00 34.11 C -ATOM 1522 O ALA A 221 30.052 53.734 38.491 1.00 35.97 O -ATOM 1523 CB ALA A 221 32.980 55.289 38.160 1.00 33.74 C -ATOM 1524 N LEU A 222 31.784 52.314 38.335 1.00 35.04 N -ATOM 1525 CA LEU A 222 30.940 51.254 37.759 1.00 35.05 C -ATOM 1526 C LEU A 222 29.901 50.757 38.753 1.00 32.03 C -ATOM 1527 O LEU A 222 28.718 50.580 38.454 1.00 31.31 O -ATOM 1528 CB LEU A 222 31.802 50.104 37.237 1.00 37.29 C -ATOM 1529 CG LEU A 222 31.029 48.879 36.734 1.00 39.10 C -ATOM 1530 CD1 LEU A 222 29.971 49.273 35.718 1.00 38.16 C -ATOM 1531 CD2 LEU A 222 32.014 47.865 36.129 1.00 41.06 C -ATOM 1532 N ALA A 223 30.338 50.547 39.997 1.00 33.56 N -ATOM 1533 CA ALA A 223 29.388 50.133 41.036 1.00 32.69 C -ATOM 1534 C ALA A 223 28.292 51.179 41.184 1.00 32.50 C -ATOM 1535 O ALA A 223 27.121 50.840 41.327 1.00 31.23 O -ATOM 1536 CB ALA A 223 30.128 49.924 42.351 1.00 30.49 C -ATOM 1537 N GLU A 224 28.649 52.478 41.114 1.00 34.07 N -ATOM 1538 CA GLU A 224 27.580 53.485 41.227 1.00 36.33 C -ATOM 1539 C GLU A 224 26.591 53.374 40.086 1.00 37.67 C -ATOM 1540 O GLU A 224 25.383 53.492 40.299 1.00 38.29 O -ATOM 1541 CB GLU A 224 28.152 54.899 41.273 1.00 40.88 C -ATOM 1542 CG GLU A 224 27.090 55.943 41.637 1.00 44.92 C -ATOM 1543 CD GLU A 224 27.718 57.310 41.834 1.00 53.70 C -ATOM 1544 OE1 GLU A 224 28.538 57.681 40.959 1.00 58.18 O -ATOM 1545 OE2 GLU A 224 27.395 57.982 42.830 1.00 55.96 O -ATOM 1546 N PHE A 225 27.103 53.191 38.850 1.00 37.41 N -ATOM 1547 CA PHE A 225 26.191 53.055 37.697 1.00 35.78 C -ATOM 1548 C PHE A 225 25.226 51.913 37.953 1.00 38.10 C -ATOM 1549 O PHE A 225 24.002 52.002 37.857 1.00 36.99 O -ATOM 1550 CB PHE A 225 27.026 52.819 36.424 1.00 37.20 C -ATOM 1551 CG PHE A 225 26.258 52.274 35.251 1.00 37.63 C -ATOM 1552 CD1 PHE A 225 25.377 53.086 34.551 1.00 36.60 C -ATOM 1553 CD2 PHE A 225 26.417 50.965 34.831 1.00 32.47 C -ATOM 1554 CE1 PHE A 225 24.665 52.607 33.469 1.00 35.55 C -ATOM 1555 CE2 PHE A 225 25.707 50.480 33.749 1.00 39.09 C -ATOM 1556 CZ PHE A 225 24.817 51.294 33.067 1.00 37.69 C -ATOM 1557 N TYR A 226 25.781 50.761 38.368 1.00 37.98 N -ATOM 1558 CA TYR A 226 24.952 49.597 38.648 1.00 40.52 C -ATOM 1559 C TYR A 226 23.929 49.856 39.755 1.00 41.15 C -ATOM 1560 O TYR A 226 22.838 49.288 39.686 1.00 44.22 O -ATOM 1561 CB TYR A 226 25.818 48.423 39.077 1.00 38.46 C -ATOM 1562 CG TYR A 226 26.574 47.751 37.963 1.00 36.65 C -ATOM 1563 CD1 TYR A 226 27.810 47.176 38.196 1.00 35.46 C -ATOM 1564 CD2 TYR A 226 26.011 47.671 36.681 1.00 36.41 C -ATOM 1565 CE1 TYR A 226 28.491 46.532 37.174 1.00 34.83 C -ATOM 1566 CE2 TYR A 226 26.694 47.046 35.662 1.00 34.50 C -ATOM 1567 CZ TYR A 226 27.917 46.481 35.917 1.00 33.10 C -ATOM 1568 OH TYR A 226 28.594 45.838 34.917 1.00 38.68 O -ATOM 1569 N LEU A 227 24.322 50.615 40.750 1.00 43.45 N -ATOM 1570 CA LEU A 227 23.432 50.962 41.856 1.00 47.03 C -ATOM 1571 C LEU A 227 22.465 52.082 41.435 1.00 50.11 C -ATOM 1572 O LEU A 227 21.246 51.863 41.473 1.00 52.97 O -ATOM 1573 CB LEU A 227 24.248 51.447 43.057 1.00 43.37 C -ATOM 1574 CG LEU A 227 24.934 50.345 43.867 1.00 41.56 C -ATOM 1575 CD1 LEU A 227 25.877 50.932 44.904 1.00 45.74 C -ATOM 1576 CD2 LEU A 227 23.880 49.452 44.521 1.00 41.44 C -TER 1577 LEU A 227 -ATOM 1578 N LEU B 6 53.266 49.350 5.788 1.00 34.65 N -ATOM 1579 CA LEU B 6 52.740 49.545 7.151 1.00 36.47 C -ATOM 1580 C LEU B 6 51.220 49.391 7.169 1.00 35.22 C -ATOM 1581 O LEU B 6 50.587 49.422 8.237 1.00 31.61 O -ATOM 1582 CB LEU B 6 53.106 50.946 7.609 1.00 43.10 C -ATOM 1583 CG LEU B 6 53.816 51.131 8.932 1.00 46.53 C -ATOM 1584 CD1 LEU B 6 54.917 50.105 9.152 1.00 45.98 C -ATOM 1585 CD2 LEU B 6 54.399 52.540 9.007 1.00 48.39 C -ATOM 1586 N ASP B 7 50.636 49.300 5.985 1.00 32.75 N -ATOM 1587 CA ASP B 7 49.203 49.161 5.840 1.00 33.58 C -ATOM 1588 C ASP B 7 48.706 47.897 6.576 1.00 29.96 C -ATOM 1589 O ASP B 7 49.301 46.850 6.432 1.00 32.90 O -ATOM 1590 CB ASP B 7 48.735 48.989 4.403 1.00 35.47 C -ATOM 1591 CG ASP B 7 48.942 50.180 3.502 1.00 41.16 C -ATOM 1592 OD1 ASP B 7 49.412 51.219 3.983 1.00 39.68 O -ATOM 1593 OD2 ASP B 7 48.613 50.032 2.295 1.00 41.21 O -ATOM 1594 N VAL B 8 47.574 48.070 7.217 1.00 26.70 N -ATOM 1595 CA VAL B 8 46.904 46.964 7.929 1.00 23.54 C -ATOM 1596 C VAL B 8 45.450 46.967 7.442 1.00 21.15 C -ATOM 1597 O VAL B 8 44.889 47.990 7.089 1.00 22.45 O -ATOM 1598 CB VAL B 8 46.928 47.210 9.456 1.00 24.17 C -ATOM 1599 CG1 VAL B 8 45.927 46.326 10.199 1.00 26.06 C -ATOM 1600 CG2 VAL B 8 48.346 46.955 9.992 1.00 29.09 C -ATOM 1601 N CYS B 9 44.919 45.757 7.266 1.00 20.85 N -ATOM 1602 CA CYS B 9 43.519 45.622 6.885 1.00 19.98 C -ATOM 1603 C CYS B 9 42.842 44.895 8.082 1.00 20.20 C -ATOM 1604 O CYS B 9 43.473 43.967 8.580 1.00 20.94 O -ATOM 1605 CB CYS B 9 43.379 44.690 5.677 1.00 21.42 C -ATOM 1606 SG CYS B 9 41.676 44.576 5.078 1.00 23.54 S -ATOM 1607 N ALA B 10 41.674 45.359 8.453 1.00 19.39 N -ATOM 1608 CA ALA B 10 40.958 44.662 9.547 1.00 17.39 C -ATOM 1609 C ALA B 10 39.814 43.854 8.871 1.00 17.39 C -ATOM 1610 O ALA B 10 39.320 44.201 7.820 1.00 18.81 O -ATOM 1611 CB ALA B 10 40.334 45.659 10.494 1.00 18.88 C -ATOM 1612 N VAL B 11 39.458 42.778 9.564 1.00 16.46 N -ATOM 1613 CA VAL B 11 38.380 41.916 9.108 1.00 17.83 C -ATOM 1614 C VAL B 11 37.408 41.788 10.319 1.00 17.32 C -ATOM 1615 O VAL B 11 37.858 41.422 11.408 1.00 19.28 O -ATOM 1616 CB VAL B 11 38.858 40.538 8.731 1.00 16.86 C -ATOM 1617 CG1 VAL B 11 37.720 39.559 8.410 1.00 18.83 C -ATOM 1618 CG2 VAL B 11 39.830 40.589 7.521 1.00 18.79 C -ATOM 1619 N VAL B 12 36.157 42.055 10.048 1.00 16.90 N -ATOM 1620 CA VAL B 12 35.144 41.904 11.117 1.00 18.89 C -ATOM 1621 C VAL B 12 34.155 40.829 10.674 1.00 22.42 C -ATOM 1622 O VAL B 12 33.369 41.088 9.757 1.00 23.34 O -ATOM 1623 CB VAL B 12 34.390 43.230 11.311 1.00 20.44 C -ATOM 1624 CG1 VAL B 12 33.257 43.014 12.350 1.00 21.90 C -ATOM 1625 CG2 VAL B 12 35.359 44.313 11.806 1.00 20.65 C -ATOM 1626 N PRO B 13 34.189 39.638 11.263 1.00 23.03 N -ATOM 1627 CA PRO B 13 33.236 38.579 10.910 1.00 24.23 C -ATOM 1628 C PRO B 13 31.881 39.050 11.464 1.00 27.74 C -ATOM 1629 O PRO B 13 31.787 39.487 12.623 1.00 30.42 O -ATOM 1630 CB PRO B 13 33.753 37.365 11.628 1.00 27.86 C -ATOM 1631 CG PRO B 13 35.093 37.704 12.167 1.00 25.46 C -ATOM 1632 CD PRO B 13 35.127 39.222 12.315 1.00 22.48 C -ATOM 1633 N ALA B 14 30.877 39.159 10.615 1.00 26.38 N -ATOM 1634 CA ALA B 14 29.571 39.682 11.021 1.00 28.36 C -ATOM 1635 C ALA B 14 28.419 38.841 10.490 1.00 30.70 C -ATOM 1636 O ALA B 14 27.418 39.345 9.988 1.00 30.06 O -ATOM 1637 CB ALA B 14 29.459 41.131 10.516 1.00 29.56 C -ATOM 1638 N ALA B 15 28.627 37.526 10.458 1.00 28.78 N -ATOM 1639 CA ALA B 15 27.606 36.602 9.970 1.00 33.45 C -ATOM 1640 C ALA B 15 26.401 36.548 10.895 1.00 33.01 C -ATOM 1641 O ALA B 15 26.450 37.035 12.019 1.00 34.81 O -ATOM 1642 CB ALA B 15 28.195 35.182 9.905 1.00 33.81 C -ATOM 1643 N GLY B 16 25.317 35.896 10.437 1.00 35.85 N -ATOM 1644 CA GLY B 16 24.164 35.742 11.305 1.00 35.80 C -ATOM 1645 C GLY B 16 22.880 36.341 10.863 1.00 39.68 C -ATOM 1646 O GLY B 16 21.799 36.009 11.415 1.00 39.03 O -ATOM 1647 N PHE B 17 22.880 37.268 9.913 1.00 40.20 N -ATOM 1648 CA PHE B 17 21.638 37.910 9.503 1.00 42.13 C -ATOM 1649 C PHE B 17 21.220 37.606 8.092 1.00 42.92 C -ATOM 1650 O PHE B 17 20.513 38.419 7.473 1.00 42.94 O -ATOM 1651 CB PHE B 17 21.737 39.425 9.738 1.00 43.99 C -ATOM 1652 CG PHE B 17 21.490 39.776 11.185 1.00 47.48 C -ATOM 1653 CD1 PHE B 17 22.517 39.665 12.107 1.00 49.75 C -ATOM 1654 CD2 PHE B 17 20.251 40.210 11.603 1.00 49.16 C -ATOM 1655 CE1 PHE B 17 22.306 39.968 13.433 1.00 49.87 C -ATOM 1656 CE2 PHE B 17 20.035 40.544 12.936 1.00 52.04 C -ATOM 1657 CZ PHE B 17 21.061 40.412 13.843 1.00 51.89 C -ATOM 1658 N GLY B 18 21.570 36.440 7.580 1.00 42.78 N -ATOM 1659 CA GLY B 18 21.178 36.067 6.214 1.00 44.54 C -ATOM 1660 C GLY B 18 20.113 34.960 6.283 1.00 45.01 C -ATOM 1661 O GLY B 18 19.445 34.884 7.331 1.00 43.79 O -ATOM 1662 N PRO B 26 23.109 37.243 17.040 1.00 42.66 N -ATOM 1663 CA PRO B 26 24.209 38.196 17.243 1.00 41.94 C -ATOM 1664 C PRO B 26 23.636 39.573 17.518 1.00 40.44 C -ATOM 1665 O PRO B 26 22.576 39.936 17.000 1.00 39.74 O -ATOM 1666 CB PRO B 26 25.023 38.140 15.970 1.00 42.32 C -ATOM 1667 CG PRO B 26 24.646 36.856 15.315 1.00 42.41 C -ATOM 1668 CD PRO B 26 23.182 36.661 15.670 1.00 42.80 C -ATOM 1669 N LYS B 27 24.330 40.323 18.374 1.00 37.83 N -ATOM 1670 CA LYS B 27 23.822 41.635 18.783 1.00 36.03 C -ATOM 1671 C LYS B 27 24.547 42.795 18.156 1.00 34.79 C -ATOM 1672 O LYS B 27 24.419 43.922 18.644 1.00 35.28 O -ATOM 1673 CB LYS B 27 23.993 41.693 20.332 1.00 40.46 C -ATOM 1674 CG LYS B 27 23.415 40.432 21.009 1.00 36.35 C -ATOM 1675 N GLN B 28 25.157 42.600 16.979 1.00 32.30 N -ATOM 1676 CA GLN B 28 25.886 43.674 16.321 1.00 32.03 C -ATOM 1677 C GLN B 28 25.015 44.804 15.837 1.00 31.17 C -ATOM 1678 O GLN B 28 25.487 45.906 15.564 1.00 30.19 O -ATOM 1679 CB GLN B 28 26.712 43.131 15.126 1.00 30.95 C -ATOM 1680 CG GLN B 28 25.837 42.653 13.968 1.00 36.94 C -ATOM 1681 CD GLN B 28 26.438 41.523 13.168 1.00 42.25 C -ATOM 1682 OE1 GLN B 28 27.080 40.623 13.693 1.00 43.75 O -ATOM 1683 NE2 GLN B 28 26.254 41.554 11.838 1.00 44.18 N -ATOM 1684 N TYR B 29 23.714 44.533 15.623 1.00 30.47 N -ATOM 1685 CA TYR B 29 22.833 45.549 15.116 1.00 32.83 C -ATOM 1686 C TYR B 29 22.042 46.282 16.197 1.00 33.41 C -ATOM 1687 O TYR B 29 21.137 47.037 15.790 1.00 34.90 O -ATOM 1688 CB TYR B 29 21.934 45.034 13.994 1.00 32.93 C -ATOM 1689 CG TYR B 29 22.703 44.660 12.743 1.00 31.19 C -ATOM 1690 CD1 TYR B 29 22.659 43.382 12.223 1.00 34.21 C -ATOM 1691 CD2 TYR B 29 23.519 45.600 12.101 1.00 32.52 C -ATOM 1692 CE1 TYR B 29 23.356 43.034 11.062 1.00 32.61 C -ATOM 1693 CE2 TYR B 29 24.221 45.252 10.971 1.00 34.30 C -ATOM 1694 CZ TYR B 29 24.123 43.992 10.444 1.00 34.84 C -ATOM 1695 OH TYR B 29 24.840 43.664 9.308 1.00 37.45 O -ATOM 1696 N LEU B 30 22.316 46.004 17.438 1.00 34.38 N -ATOM 1697 CA LEU B 30 21.753 46.745 18.583 1.00 35.93 C -ATOM 1698 C LEU B 30 22.422 48.134 18.556 1.00 36.79 C -ATOM 1699 O LEU B 30 23.527 48.246 18.007 1.00 33.98 O -ATOM 1700 CB LEU B 30 22.168 46.052 19.887 1.00 38.48 C -ATOM 1701 CG LEU B 30 21.258 44.968 20.440 1.00 40.55 C -ATOM 1702 CD1 LEU B 30 21.922 44.154 21.536 1.00 40.62 C -ATOM 1703 CD2 LEU B 30 19.976 45.609 20.989 1.00 44.78 C -ATOM 1704 N SER B 31 21.775 49.188 19.019 1.00 37.28 N -ATOM 1705 CA SER B 31 22.363 50.516 18.992 1.00 35.72 C -ATOM 1706 C SER B 31 22.797 51.006 20.377 1.00 34.63 C -ATOM 1707 O SER B 31 22.351 50.497 21.413 1.00 35.91 O -ATOM 1708 CB SER B 31 21.391 51.529 18.382 1.00 33.54 C -ATOM 1709 OG SER B 31 21.317 51.459 16.976 1.00 37.48 O -ATOM 1710 N ILE B 32 23.803 51.844 20.409 1.00 32.30 N -ATOM 1711 CA ILE B 32 24.343 52.544 21.547 1.00 30.11 C -ATOM 1712 C ILE B 32 24.440 54.018 21.053 1.00 30.50 C -ATOM 1713 O ILE B 32 25.189 54.320 20.125 1.00 25.21 O -ATOM 1714 CB ILE B 32 25.668 52.129 22.130 1.00 27.87 C -ATOM 1715 CG1 ILE B 32 25.611 50.723 22.762 1.00 32.71 C -ATOM 1716 CG2 ILE B 32 26.163 53.127 23.178 1.00 29.02 C -ATOM 1717 CD1 ILE B 32 27.021 50.157 22.948 1.00 32.54 C -ATOM 1718 N GLY B 33 23.584 54.848 21.625 1.00 29.45 N -ATOM 1719 CA GLY B 33 23.583 56.265 21.166 1.00 31.78 C -ATOM 1720 C GLY B 33 22.931 56.280 19.767 1.00 33.50 C -ATOM 1721 O GLY B 33 21.928 55.585 19.586 1.00 36.28 O -ATOM 1722 N ASN B 34 23.572 56.903 18.826 1.00 32.70 N -ATOM 1723 CA ASN B 34 23.191 57.074 17.461 1.00 36.43 C -ATOM 1724 C ASN B 34 23.789 56.062 16.474 1.00 32.99 C -ATOM 1725 O ASN B 34 23.590 56.248 15.265 1.00 32.77 O -ATOM 1726 CB ASN B 34 23.594 58.492 16.964 1.00 37.42 C -ATOM 1727 CG ASN B 34 25.048 58.717 16.741 1.00 42.78 C -ATOM 1728 OD1 ASN B 34 25.941 57.884 16.925 1.00 47.46 O -ATOM 1729 ND2 ASN B 34 25.434 59.928 16.282 1.00 45.13 N -ATOM 1730 N GLN B 35 24.577 55.121 16.940 1.00 30.70 N -ATOM 1731 CA GLN B 35 25.184 54.117 16.037 1.00 32.90 C -ATOM 1732 C GLN B 35 24.917 52.701 16.476 1.00 28.20 C -ATOM 1733 O GLN B 35 24.781 52.472 17.675 1.00 30.55 O -ATOM 1734 CB GLN B 35 26.748 54.298 16.183 1.00 28.78 C -ATOM 1735 CG GLN B 35 27.241 55.487 15.361 1.00 35.93 C -ATOM 1736 CD GLN B 35 28.755 55.635 15.554 1.00 37.59 C -ATOM 1737 OE1 GLN B 35 29.272 56.737 15.520 1.00 47.01 O -ATOM 1738 NE2 GLN B 35 29.427 54.524 15.786 1.00 36.61 N -ATOM 1739 N THR B 36 25.004 51.726 15.555 1.00 26.33 N -ATOM 1740 CA THR B 36 24.871 50.331 15.961 1.00 26.08 C -ATOM 1741 C THR B 36 26.212 49.903 16.623 1.00 23.49 C -ATOM 1742 O THR B 36 27.222 50.555 16.353 1.00 23.56 O -ATOM 1743 CB THR B 36 24.660 49.374 14.781 1.00 30.73 C -ATOM 1744 OG1 THR B 36 25.800 49.484 13.885 1.00 30.54 O -ATOM 1745 CG2 THR B 36 23.389 49.747 14.018 1.00 29.21 C -ATOM 1746 N ILE B 37 26.193 48.818 17.328 1.00 22.33 N -ATOM 1747 CA ILE B 37 27.408 48.286 17.976 1.00 24.46 C -ATOM 1748 C ILE B 37 28.461 47.987 16.926 1.00 21.85 C -ATOM 1749 O ILE B 37 29.644 48.293 17.094 1.00 21.85 O -ATOM 1750 CB ILE B 37 27.056 46.996 18.752 1.00 27.68 C -ATOM 1751 CG1 ILE B 37 26.370 47.447 20.078 1.00 29.53 C -ATOM 1752 CG2 ILE B 37 28.256 46.144 19.055 1.00 25.35 C -ATOM 1753 CD1 ILE B 37 25.711 46.239 20.756 1.00 33.23 C -ATOM 1754 N LEU B 38 27.987 47.424 15.796 1.00 22.66 N -ATOM 1755 CA LEU B 38 28.972 47.132 14.721 1.00 20.81 C -ATOM 1756 C LEU B 38 29.604 48.420 14.262 1.00 22.58 C -ATOM 1757 O LEU B 38 30.825 48.471 14.020 1.00 21.07 O -ATOM 1758 CB LEU B 38 28.271 46.406 13.575 1.00 23.78 C -ATOM 1759 CG LEU B 38 29.064 46.247 12.275 1.00 26.94 C -ATOM 1760 CD1 LEU B 38 30.208 45.273 12.476 1.00 25.40 C -ATOM 1761 CD2 LEU B 38 28.127 45.726 11.168 1.00 27.31 C -ATOM 1762 N GLU B 39 28.862 49.529 14.131 1.00 20.86 N -ATOM 1763 CA GLU B 39 29.499 50.788 13.718 1.00 21.35 C -ATOM 1764 C GLU B 39 30.470 51.310 14.757 1.00 21.45 C -ATOM 1765 O GLU B 39 31.549 51.813 14.393 1.00 22.51 O -ATOM 1766 CB GLU B 39 28.393 51.837 13.442 1.00 23.81 C -ATOM 1767 CG GLU B 39 27.649 51.373 12.151 1.00 25.25 C -ATOM 1768 CD GLU B 39 26.450 52.324 11.899 1.00 26.70 C -ATOM 1769 OE1 GLU B 39 26.618 53.153 11.020 1.00 31.50 O -ATOM 1770 OE2 GLU B 39 25.445 52.148 12.599 1.00 26.34 O -ATOM 1771 N HIS B 40 30.140 51.172 16.039 1.00 18.33 N -ATOM 1772 CA HIS B 40 31.096 51.619 17.071 1.00 19.74 C -ATOM 1773 C HIS B 40 32.391 50.775 16.960 1.00 21.29 C -ATOM 1774 O HIS B 40 33.502 51.316 17.063 1.00 20.72 O -ATOM 1775 CB HIS B 40 30.509 51.432 18.467 1.00 19.27 C -ATOM 1776 CG HIS B 40 29.468 52.469 18.851 1.00 22.68 C -ATOM 1777 ND1 HIS B 40 29.802 53.728 19.262 1.00 26.80 N -ATOM 1778 CD2 HIS B 40 28.134 52.360 18.958 1.00 22.57 C -ATOM 1779 CE1 HIS B 40 28.690 54.380 19.621 1.00 26.28 C -ATOM 1780 NE2 HIS B 40 27.676 53.568 19.453 1.00 24.27 N -ATOM 1781 N SER B 41 32.235 49.478 16.746 1.00 20.83 N -ATOM 1782 CA SER B 41 33.378 48.573 16.651 1.00 21.25 C -ATOM 1783 C SER B 41 34.229 48.929 15.448 1.00 21.11 C -ATOM 1784 O SER B 41 35.451 49.002 15.565 1.00 21.51 O -ATOM 1785 CB SER B 41 32.976 47.103 16.564 1.00 19.97 C -ATOM 1786 OG SER B 41 32.165 46.744 17.652 1.00 23.99 O -ATOM 1787 N VAL B 42 33.581 49.268 14.316 1.00 19.83 N -ATOM 1788 CA VAL B 42 34.397 49.587 13.128 1.00 21.49 C -ATOM 1789 C VAL B 42 35.083 50.918 13.254 1.00 23.39 C -ATOM 1790 O VAL B 42 36.278 51.068 12.875 1.00 21.62 O -ATOM 1791 CB VAL B 42 33.526 49.504 11.860 1.00 26.36 C -ATOM 1792 CG1 VAL B 42 34.220 50.038 10.624 1.00 25.27 C -ATOM 1793 CG2 VAL B 42 33.099 48.041 11.644 1.00 24.57 C -ATOM 1794 N HIS B 43 34.412 51.926 13.820 1.00 21.55 N -ATOM 1795 CA HIS B 43 35.061 53.232 13.967 1.00 23.98 C -ATOM 1796 C HIS B 43 36.214 53.102 14.970 1.00 20.94 C -ATOM 1797 O HIS B 43 37.186 53.833 14.808 1.00 22.32 O -ATOM 1798 CB HIS B 43 34.119 54.336 14.410 1.00 26.56 C -ATOM 1799 CG HIS B 43 33.215 54.797 13.279 1.00 30.42 C -ATOM 1800 ND1 HIS B 43 33.685 55.384 12.120 1.00 29.69 N -ATOM 1801 CD2 HIS B 43 31.871 54.711 13.168 1.00 31.88 C -ATOM 1802 CE1 HIS B 43 32.643 55.613 11.321 1.00 30.27 C -ATOM 1803 NE2 HIS B 43 31.535 55.236 11.937 1.00 28.58 N -ATOM 1804 N ALA B 44 36.122 52.205 15.934 1.00 21.33 N -ATOM 1805 CA ALA B 44 37.248 52.014 16.883 1.00 19.16 C -ATOM 1806 C ALA B 44 38.486 51.498 16.145 1.00 21.05 C -ATOM 1807 O ALA B 44 39.611 51.942 16.458 1.00 20.29 O -ATOM 1808 CB ALA B 44 36.847 51.027 17.978 1.00 18.65 C -ATOM 1809 N LEU B 45 38.296 50.656 15.121 1.00 18.67 N -ATOM 1810 CA LEU B 45 39.406 50.156 14.321 1.00 18.70 C -ATOM 1811 C LEU B 45 39.988 51.264 13.430 1.00 20.43 C -ATOM 1812 O LEU B 45 41.200 51.272 13.173 1.00 22.88 O -ATOM 1813 CB LEU B 45 38.941 49.001 13.390 1.00 18.84 C -ATOM 1814 CG LEU B 45 38.463 47.740 14.171 1.00 20.67 C -ATOM 1815 CD1 LEU B 45 37.632 46.849 13.246 1.00 21.06 C -ATOM 1816 CD2 LEU B 45 39.630 46.985 14.747 1.00 21.13 C -ATOM 1817 N LEU B 46 39.144 52.132 12.898 1.00 19.84 N -ATOM 1818 CA LEU B 46 39.601 53.214 12.028 1.00 21.39 C -ATOM 1819 C LEU B 46 40.319 54.348 12.766 1.00 18.37 C -ATOM 1820 O LEU B 46 40.899 55.229 12.110 1.00 22.07 O -ATOM 1821 CB LEU B 46 38.390 53.800 11.278 1.00 20.68 C -ATOM 1822 CG LEU B 46 37.793 52.883 10.210 1.00 24.05 C -ATOM 1823 CD1 LEU B 46 36.496 53.443 9.677 1.00 28.76 C -ATOM 1824 CD2 LEU B 46 38.811 52.616 9.119 1.00 24.56 C -ATOM 1825 N ALA B 47 40.377 54.349 14.091 1.00 22.34 N -ATOM 1826 CA ALA B 47 41.103 55.389 14.815 1.00 20.00 C -ATOM 1827 C ALA B 47 42.607 55.376 14.514 1.00 20.88 C -ATOM 1828 O ALA B 47 43.228 56.443 14.691 1.00 23.22 O -ATOM 1829 CB ALA B 47 40.939 55.250 16.316 1.00 20.85 C -ATOM 1830 N HIS B 48 43.204 54.252 14.253 1.00 19.42 N -ATOM 1831 CA HIS B 48 44.628 54.161 13.956 1.00 20.87 C -ATOM 1832 C HIS B 48 44.879 54.363 12.469 1.00 21.95 C -ATOM 1833 O HIS B 48 44.382 53.593 11.628 1.00 22.87 O -ATOM 1834 CB HIS B 48 45.204 52.825 14.394 1.00 23.62 C -ATOM 1835 CG HIS B 48 46.698 52.826 14.554 1.00 22.62 C -ATOM 1836 ND1 HIS B 48 47.597 52.975 13.518 1.00 25.72 N -ATOM 1837 CD2 HIS B 48 47.447 52.733 15.683 1.00 25.64 C -ATOM 1838 CE1 HIS B 48 48.820 52.956 13.978 1.00 23.84 C -ATOM 1839 NE2 HIS B 48 48.764 52.783 15.313 1.00 23.56 N -ATOM 1840 N PRO B 49 45.764 55.298 12.120 1.00 22.01 N -ATOM 1841 CA PRO B 49 46.048 55.574 10.715 1.00 23.77 C -ATOM 1842 C PRO B 49 46.649 54.468 9.929 1.00 24.95 C -ATOM 1843 O PRO B 49 46.473 54.458 8.669 1.00 23.89 O -ATOM 1844 CB PRO B 49 46.928 56.840 10.771 1.00 26.77 C -ATOM 1845 CG PRO B 49 47.528 56.812 12.115 1.00 26.50 C -ATOM 1846 CD PRO B 49 46.476 56.202 13.040 1.00 23.79 C -ATOM 1847 N ARG B 50 47.201 53.405 10.516 1.00 24.13 N -ATOM 1848 CA ARG B 50 47.728 52.282 9.766 1.00 23.23 C -ATOM 1849 C ARG B 50 46.594 51.417 9.204 1.00 23.17 C -ATOM 1850 O ARG B 50 46.859 50.653 8.281 1.00 23.13 O -ATOM 1851 CB ARG B 50 48.638 51.346 10.561 1.00 24.15 C -ATOM 1852 CG ARG B 50 50.044 51.886 10.738 1.00 29.30 C -ATOM 1853 CD ARG B 50 50.913 50.975 11.555 1.00 28.77 C -ATOM 1854 NE ARG B 50 51.073 49.639 10.993 1.00 29.11 N -ATOM 1855 CZ ARG B 50 51.549 48.605 11.661 1.00 27.83 C -ATOM 1856 NH1 ARG B 50 51.931 48.715 12.938 1.00 27.92 N -ATOM 1857 NH2 ARG B 50 51.652 47.428 11.046 1.00 30.32 N -ATOM 1858 N VAL B 51 45.428 51.484 9.848 1.00 23.93 N -ATOM 1859 CA VAL B 51 44.301 50.651 9.351 1.00 20.52 C -ATOM 1860 C VAL B 51 43.746 51.347 8.127 1.00 21.26 C -ATOM 1861 O VAL B 51 43.135 52.419 8.184 1.00 22.63 O -ATOM 1862 CB VAL B 51 43.216 50.539 10.451 1.00 19.37 C -ATOM 1863 CG1 VAL B 51 42.055 49.707 9.903 1.00 21.69 C -ATOM 1864 CG2 VAL B 51 43.833 49.883 11.677 1.00 17.12 C -ATOM 1865 N LYS B 52 43.974 50.727 6.977 1.00 22.49 N -ATOM 1866 CA LYS B 52 43.539 51.385 5.726 1.00 23.73 C -ATOM 1867 C LYS B 52 42.180 50.928 5.265 1.00 24.46 C -ATOM 1868 O LYS B 52 41.606 51.528 4.334 1.00 21.72 O -ATOM 1869 CB LYS B 52 44.563 50.921 4.643 1.00 28.42 C -ATOM 1870 CG LYS B 52 45.979 51.289 4.947 1.00 34.28 C -ATOM 1871 CD LYS B 52 46.212 52.707 5.397 1.00 39.18 C -ATOM 1872 CE LYS B 52 47.732 52.975 5.437 1.00 39.58 C -ATOM 1873 NZ LYS B 52 48.030 54.223 6.193 1.00 45.12 N -ATOM 1874 N ARG B 53 41.779 49.746 5.739 1.00 21.15 N -ATOM 1875 CA ARG B 53 40.493 49.221 5.234 1.00 21.80 C -ATOM 1876 C ARG B 53 39.859 48.288 6.264 1.00 19.79 C -ATOM 1877 O ARG B 53 40.582 47.734 7.091 1.00 21.07 O -ATOM 1878 CB ARG B 53 40.873 48.408 3.967 1.00 25.17 C -ATOM 1879 CG ARG B 53 40.037 47.212 3.659 1.00 35.79 C -ATOM 1880 CD ARG B 53 39.867 47.037 2.136 1.00 41.49 C -ATOM 1881 NE ARG B 53 38.736 47.875 1.764 1.00 45.37 N -ATOM 1882 CZ ARG B 53 38.804 49.124 1.286 1.00 36.97 C -ATOM 1883 NH1 ARG B 53 39.966 49.680 1.109 1.00 42.60 N -ATOM 1884 NH2 ARG B 53 37.640 49.740 1.102 1.00 24.65 N -ATOM 1885 N VAL B 54 38.544 48.272 6.296 1.00 19.50 N -ATOM 1886 CA VAL B 54 37.836 47.315 7.175 1.00 18.26 C -ATOM 1887 C VAL B 54 36.912 46.476 6.271 1.00 18.56 C -ATOM 1888 O VAL B 54 36.034 47.010 5.581 1.00 21.75 O -ATOM 1889 CB VAL B 54 37.068 47.954 8.322 1.00 18.59 C -ATOM 1890 CG1 VAL B 54 36.502 46.847 9.217 1.00 19.91 C -ATOM 1891 CG2 VAL B 54 37.954 48.856 9.174 1.00 19.45 C -ATOM 1892 N VAL B 55 37.158 45.182 6.252 1.00 20.17 N -ATOM 1893 CA VAL B 55 36.389 44.235 5.457 1.00 17.21 C -ATOM 1894 C VAL B 55 35.354 43.606 6.401 1.00 21.05 C -ATOM 1895 O VAL B 55 35.759 42.980 7.389 1.00 20.41 O -ATOM 1896 CB VAL B 55 37.274 43.169 4.845 1.00 18.27 C -ATOM 1897 CG1 VAL B 55 36.393 42.213 3.978 1.00 21.12 C -ATOM 1898 CG2 VAL B 55 38.306 43.763 3.886 1.00 18.88 C -ATOM 1899 N ILE B 56 34.084 43.772 6.102 1.00 19.52 N -ATOM 1900 CA ILE B 56 33.027 43.201 6.935 1.00 19.01 C -ATOM 1901 C ILE B 56 32.447 41.975 6.202 1.00 20.58 C -ATOM 1902 O ILE B 56 32.038 42.109 5.065 1.00 20.38 O -ATOM 1903 CB ILE B 56 31.888 44.238 7.114 1.00 23.17 C -ATOM 1904 CG1 ILE B 56 32.432 45.587 7.577 1.00 28.26 C -ATOM 1905 CG2 ILE B 56 30.849 43.693 8.084 1.00 22.69 C -ATOM 1906 CD1 ILE B 56 32.887 45.670 8.971 1.00 33.18 C -ATOM 1907 N ALA B 57 32.514 40.812 6.842 1.00 19.98 N -ATOM 1908 CA ALA B 57 32.018 39.594 6.173 1.00 20.55 C -ATOM 1909 C ALA B 57 30.625 39.304 6.687 1.00 22.79 C -ATOM 1910 O ALA B 57 30.462 38.992 7.863 1.00 22.87 O -ATOM 1911 CB ALA B 57 33.014 38.464 6.375 1.00 22.34 C -ATOM 1912 N ILE B 58 29.622 39.458 5.812 1.00 22.52 N -ATOM 1913 CA ILE B 58 28.232 39.244 6.257 1.00 24.44 C -ATOM 1914 C ILE B 58 27.689 37.956 5.654 1.00 27.68 C -ATOM 1915 O ILE B 58 28.315 37.369 4.772 1.00 26.36 O -ATOM 1916 CB ILE B 58 27.350 40.431 5.849 1.00 27.52 C -ATOM 1917 CG1 ILE B 58 27.346 40.601 4.322 1.00 30.05 C -ATOM 1918 CG2 ILE B 58 27.814 41.718 6.519 1.00 29.51 C -ATOM 1919 CD1 ILE B 58 26.384 41.656 3.800 1.00 33.80 C -ATOM 1920 N SER B 59 26.577 37.438 6.225 1.00 27.14 N -ATOM 1921 CA SER B 59 26.026 36.210 5.675 1.00 28.80 C -ATOM 1922 C SER B 59 25.216 36.480 4.393 1.00 28.41 C -ATOM 1923 O SER B 59 24.535 37.478 4.307 1.00 29.47 O -ATOM 1924 CB SER B 59 24.992 35.575 6.673 1.00 28.55 C -ATOM 1925 OG SER B 59 25.748 35.116 7.796 1.00 29.80 O -ATOM 1926 N PRO B 60 25.298 35.542 3.476 1.00 31.12 N -ATOM 1927 CA PRO B 60 24.523 35.671 2.225 1.00 34.31 C -ATOM 1928 C PRO B 60 23.075 35.928 2.631 1.00 32.77 C -ATOM 1929 O PRO B 60 22.578 35.257 3.547 1.00 35.62 O -ATOM 1930 CB PRO B 60 24.693 34.318 1.568 1.00 34.78 C -ATOM 1931 CG PRO B 60 25.993 33.792 2.090 1.00 34.27 C -ATOM 1932 CD PRO B 60 26.142 34.349 3.483 1.00 32.87 C -ATOM 1933 N GLY B 61 22.470 36.991 2.149 1.00 35.12 N -ATOM 1934 CA GLY B 61 21.066 37.271 2.505 1.00 36.41 C -ATOM 1935 C GLY B 61 20.917 38.381 3.494 1.00 36.13 C -ATOM 1936 O GLY B 61 19.805 38.782 3.886 1.00 35.82 O -ATOM 1937 N ASP B 62 22.053 38.825 4.077 1.00 34.90 N -ATOM 1938 CA ASP B 62 21.965 39.917 5.058 1.00 34.84 C -ATOM 1939 C ASP B 62 21.699 41.223 4.313 1.00 36.27 C -ATOM 1940 O ASP B 62 22.483 41.610 3.459 1.00 34.97 O -ATOM 1941 CB ASP B 62 23.271 40.007 5.854 1.00 32.56 C -ATOM 1942 CG ASP B 62 23.361 41.137 6.830 1.00 36.12 C -ATOM 1943 OD1 ASP B 62 22.673 42.156 6.608 1.00 38.63 O -ATOM 1944 OD2 ASP B 62 24.128 41.051 7.827 1.00 31.22 O -ATOM 1945 N SER B 63 20.519 41.806 4.548 1.00 35.72 N -ATOM 1946 CA SER B 63 20.218 43.092 3.902 1.00 35.95 C -ATOM 1947 C SER B 63 20.214 44.163 4.989 1.00 36.38 C -ATOM 1948 O SER B 63 19.828 45.305 4.771 1.00 36.97 O -ATOM 1949 CB SER B 63 18.852 43.041 3.203 1.00 38.17 C -ATOM 1950 OG SER B 63 17.886 42.489 4.121 1.00 39.51 O -ATOM 1951 N ARG B 64 20.631 43.777 6.206 1.00 35.68 N -ATOM 1952 CA ARG B 64 20.637 44.738 7.312 1.00 36.18 C -ATOM 1953 C ARG B 64 21.789 45.716 7.192 1.00 35.98 C -ATOM 1954 O ARG B 64 21.634 46.931 7.330 1.00 36.04 O -ATOM 1955 CB ARG B 64 20.699 44.002 8.657 1.00 40.15 C -ATOM 1956 N PHE B 65 22.986 45.184 6.907 1.00 32.78 N -ATOM 1957 CA PHE B 65 24.167 46.000 6.773 1.00 28.88 C -ATOM 1958 C PHE B 65 24.042 47.144 5.794 1.00 29.25 C -ATOM 1959 O PHE B 65 24.480 48.273 6.071 1.00 26.93 O -ATOM 1960 CB PHE B 65 25.394 45.118 6.372 1.00 28.93 C -ATOM 1961 CG PHE B 65 26.645 45.977 6.509 1.00 31.22 C -ATOM 1962 CD1 PHE B 65 27.224 46.150 7.750 1.00 30.85 C -ATOM 1963 CD2 PHE B 65 27.175 46.615 5.405 1.00 32.17 C -ATOM 1964 CE1 PHE B 65 28.332 46.964 7.884 1.00 30.39 C -ATOM 1965 CE2 PHE B 65 28.293 47.426 5.533 1.00 30.92 C -ATOM 1966 CZ PHE B 65 28.876 47.594 6.780 1.00 31.60 C -ATOM 1967 N ALA B 66 23.397 46.937 4.631 1.00 30.58 N -ATOM 1968 CA ALA B 66 23.225 47.940 3.623 1.00 31.33 C -ATOM 1969 C ALA B 66 22.420 49.160 4.065 1.00 32.51 C -ATOM 1970 O ALA B 66 22.515 50.201 3.418 1.00 34.99 O -ATOM 1971 CB ALA B 66 22.589 47.355 2.356 1.00 32.66 C -ATOM 1972 N GLN B 67 21.724 49.058 5.166 1.00 34.13 N -ATOM 1973 CA GLN B 67 20.907 50.087 5.759 1.00 35.53 C -ATOM 1974 C GLN B 67 21.680 51.047 6.632 1.00 35.88 C -ATOM 1975 O GLN B 67 21.222 52.151 6.928 1.00 36.13 O -ATOM 1976 CB GLN B 67 19.765 49.448 6.567 1.00 37.46 C -ATOM 1977 N LEU B 68 22.914 50.686 7.039 1.00 34.80 N -ATOM 1978 CA LEU B 68 23.686 51.566 7.877 1.00 33.90 C -ATOM 1979 C LEU B 68 24.395 52.681 7.137 1.00 32.52 C -ATOM 1980 O LEU B 68 24.927 52.538 6.019 1.00 32.68 O -ATOM 1981 CB LEU B 68 24.784 50.740 8.629 1.00 29.74 C -ATOM 1982 CG LEU B 68 24.302 49.473 9.306 1.00 32.12 C -ATOM 1983 CD1 LEU B 68 25.471 48.734 9.970 1.00 32.77 C -ATOM 1984 CD2 LEU B 68 23.227 49.767 10.341 1.00 33.07 C -ATOM 1985 N PRO B 69 24.630 53.788 7.845 1.00 31.80 N -ATOM 1986 CA PRO B 69 25.386 54.907 7.311 1.00 30.38 C -ATOM 1987 C PRO B 69 26.795 54.419 6.933 1.00 31.87 C -ATOM 1988 O PRO B 69 27.415 54.874 6.007 1.00 31.30 O -ATOM 1989 CB PRO B 69 25.497 55.859 8.503 1.00 33.71 C -ATOM 1990 CG PRO B 69 24.303 55.553 9.346 1.00 34.08 C -ATOM 1991 CD PRO B 69 24.101 54.056 9.198 1.00 32.98 C -ATOM 1992 N LEU B 70 27.303 53.448 7.717 1.00 31.64 N -ATOM 1993 CA LEU B 70 28.625 52.868 7.484 1.00 32.42 C -ATOM 1994 C LEU B 70 28.747 52.197 6.149 1.00 29.88 C -ATOM 1995 O LEU B 70 29.831 52.155 5.538 1.00 32.40 O -ATOM 1996 CB LEU B 70 28.937 51.842 8.608 1.00 29.83 C -ATOM 1997 CG LEU B 70 30.367 51.289 8.594 1.00 29.53 C -ATOM 1998 CD1 LEU B 70 31.364 52.357 9.017 1.00 29.81 C -ATOM 1999 CD2 LEU B 70 30.501 50.050 9.460 1.00 28.91 C -ATOM 2000 N ALA B 71 27.650 51.709 5.541 1.00 31.49 N -ATOM 2001 CA ALA B 71 27.753 51.061 4.232 1.00 31.82 C -ATOM 2002 C ALA B 71 28.280 51.976 3.145 1.00 34.60 C -ATOM 2003 O ALA B 71 28.764 51.499 2.105 1.00 34.87 O -ATOM 2004 CB ALA B 71 26.405 50.461 3.829 1.00 38.69 C -ATOM 2005 N ASN B 72 28.236 53.306 3.330 1.00 33.92 N -ATOM 2006 CA ASN B 72 28.785 54.192 2.295 1.00 34.78 C -ATOM 2007 C ASN B 72 30.160 54.708 2.660 1.00 31.24 C -ATOM 2008 O ASN B 72 30.707 55.589 1.998 1.00 31.21 O -ATOM 2009 CB ASN B 72 27.831 55.351 2.012 1.00 45.41 C -ATOM 2010 CG ASN B 72 26.562 54.905 1.312 1.00 50.80 C -ATOM 2011 OD1 ASN B 72 25.527 55.564 1.435 1.00 58.06 O -ATOM 2012 ND2 ASN B 72 26.623 53.791 0.593 1.00 53.59 N -ATOM 2013 N HIS B 73 30.815 54.145 3.682 1.00 29.41 N -ATOM 2014 CA HIS B 73 32.168 54.652 4.044 1.00 28.99 C -ATOM 2015 C HIS B 73 33.185 54.196 3.035 1.00 29.37 C -ATOM 2016 O HIS B 73 33.203 53.007 2.653 1.00 27.09 O -ATOM 2017 CB HIS B 73 32.469 54.075 5.455 1.00 26.16 C -ATOM 2018 CG HIS B 73 33.598 54.780 6.144 1.00 25.86 C -ATOM 2019 ND1 HIS B 73 34.890 54.735 5.717 1.00 26.84 N -ATOM 2020 CD2 HIS B 73 33.595 55.492 7.300 1.00 28.88 C -ATOM 2021 CE1 HIS B 73 35.671 55.408 6.561 1.00 28.61 C -ATOM 2022 NE2 HIS B 73 34.901 55.880 7.525 1.00 29.57 N -ATOM 2023 N PRO B 74 34.085 55.038 2.554 1.00 29.58 N -ATOM 2024 CA PRO B 74 35.067 54.663 1.561 1.00 31.32 C -ATOM 2025 C PRO B 74 36.086 53.643 1.990 1.00 29.40 C -ATOM 2026 O PRO B 74 36.644 52.937 1.132 1.00 30.86 O -ATOM 2027 CB PRO B 74 35.712 55.984 1.139 1.00 33.43 C -ATOM 2028 CG PRO B 74 35.494 56.875 2.307 1.00 32.93 C -ATOM 2029 CD PRO B 74 34.143 56.494 2.873 1.00 32.01 C -ATOM 2030 N GLN B 75 36.319 53.467 3.305 1.00 25.61 N -ATOM 2031 CA GLN B 75 37.280 52.464 3.756 1.00 24.55 C -ATOM 2032 C GLN B 75 36.635 51.138 4.158 1.00 22.63 C -ATOM 2033 O GLN B 75 37.353 50.264 4.675 1.00 23.88 O -ATOM 2034 CB GLN B 75 38.044 52.997 5.004 1.00 25.29 C -ATOM 2035 CG GLN B 75 38.876 54.237 4.578 1.00 28.93 C -ATOM 2036 CD GLN B 75 39.731 54.689 5.747 1.00 36.73 C -ATOM 2037 OE1 GLN B 75 39.267 55.415 6.626 1.00 37.63 O -ATOM 2038 NE2 GLN B 75 40.976 54.220 5.746 1.00 36.02 N -ATOM 2039 N ILE B 76 35.341 50.987 3.951 1.00 21.53 N -ATOM 2040 CA ILE B 76 34.659 49.722 4.276 1.00 22.20 C -ATOM 2041 C ILE B 76 34.464 48.888 3.034 1.00 22.84 C -ATOM 2042 O ILE B 76 34.159 49.406 1.901 1.00 21.97 O -ATOM 2043 CB ILE B 76 33.300 50.033 4.935 1.00 24.32 C -ATOM 2044 CG1 ILE B 76 33.428 50.227 6.443 1.00 27.23 C -ATOM 2045 CG2 ILE B 76 32.278 48.927 4.685 1.00 25.78 C -ATOM 2046 CD1 ILE B 76 34.598 50.959 6.994 1.00 28.11 C -ATOM 2047 N THR B 77 34.703 47.591 3.156 1.00 21.54 N -ATOM 2048 CA THR B 77 34.493 46.660 2.036 1.00 22.02 C -ATOM 2049 C THR B 77 33.608 45.535 2.575 1.00 24.10 C -ATOM 2050 O THR B 77 33.769 45.178 3.762 1.00 25.25 O -ATOM 2051 CB THR B 77 35.818 46.063 1.546 1.00 22.54 C -ATOM 2052 OG1 THR B 77 36.591 47.113 0.975 1.00 24.28 O -ATOM 2053 CG2 THR B 77 35.546 44.951 0.554 1.00 27.19 C -ATOM 2054 N VAL B 78 32.575 45.170 1.838 1.00 23.30 N -ATOM 2055 CA VAL B 78 31.645 44.129 2.325 1.00 23.23 C -ATOM 2056 C VAL B 78 31.707 42.937 1.407 1.00 23.36 C -ATOM 2057 O VAL B 78 31.634 43.070 0.157 1.00 21.02 O -ATOM 2058 CB VAL B 78 30.192 44.671 2.358 1.00 28.32 C -ATOM 2059 CG1 VAL B 78 29.194 43.617 2.787 1.00 27.30 C -ATOM 2060 CG2 VAL B 78 30.087 45.867 3.314 1.00 29.55 C -ATOM 2061 N VAL B 79 31.921 41.754 1.980 1.00 20.30 N -ATOM 2062 CA VAL B 79 31.985 40.504 1.221 1.00 19.99 C -ATOM 2063 C VAL B 79 31.085 39.498 1.925 1.00 21.55 C -ATOM 2064 O VAL B 79 30.785 39.668 3.095 1.00 22.86 O -ATOM 2065 CB VAL B 79 33.407 39.890 1.157 1.00 18.21 C -ATOM 2066 CG1 VAL B 79 34.421 40.864 0.569 1.00 17.63 C -ATOM 2067 CG2 VAL B 79 33.839 39.475 2.563 1.00 21.64 C -ATOM 2068 N ASP B 80 30.641 38.435 1.209 1.00 22.08 N -ATOM 2069 CA ASP B 80 29.858 37.444 1.927 1.00 23.19 C -ATOM 2070 C ASP B 80 30.875 36.446 2.566 1.00 22.64 C -ATOM 2071 O ASP B 80 31.852 36.127 1.918 1.00 22.75 O -ATOM 2072 CB ASP B 80 28.954 36.627 1.023 1.00 26.44 C -ATOM 2073 CG ASP B 80 27.755 37.428 0.526 1.00 25.20 C -ATOM 2074 OD1 ASP B 80 27.513 38.539 1.008 1.00 29.82 O -ATOM 2075 OD2 ASP B 80 27.057 36.858 -0.359 1.00 29.31 O -ATOM 2076 N GLY B 81 30.554 36.064 3.769 1.00 26.93 N -ATOM 2077 CA GLY B 81 31.402 35.111 4.508 1.00 31.30 C -ATOM 2078 C GLY B 81 30.712 33.752 4.550 1.00 36.91 C -ATOM 2079 O GLY B 81 29.778 33.533 3.781 1.00 37.97 O -ATOM 2080 N GLY B 82 31.240 32.824 5.354 1.00 36.94 N -ATOM 2081 CA GLY B 82 30.649 31.487 5.356 1.00 41.30 C -ATOM 2082 C GLY B 82 29.975 31.060 6.634 1.00 42.89 C -ATOM 2083 O GLY B 82 29.514 31.822 7.467 1.00 43.78 O -ATOM 2084 N ASP B 83 29.875 29.729 6.779 1.00 44.99 N -ATOM 2085 CA ASP B 83 29.245 29.106 7.919 1.00 44.87 C -ATOM 2086 C ASP B 83 29.931 29.444 9.232 1.00 43.12 C -ATOM 2087 O ASP B 83 29.389 30.158 10.080 1.00 44.51 O -ATOM 2088 CB ASP B 83 29.203 27.581 7.703 1.00 45.37 C -ATOM 2089 N GLU B 84 31.198 29.073 9.361 1.00 39.57 N -ATOM 2090 CA GLU B 84 31.889 29.322 10.633 1.00 35.32 C -ATOM 2091 C GLU B 84 32.737 30.564 10.603 1.00 33.31 C -ATOM 2092 O GLU B 84 33.078 31.072 9.529 1.00 32.15 O -ATOM 2093 CB AGLU B 84 32.657 28.083 11.057 0.65 40.57 C -ATOM 2094 CB BGLU B 84 32.721 28.051 10.950 0.35 37.27 C -ATOM 2095 CG AGLU B 84 31.824 26.839 11.265 0.65 45.73 C -ATOM 2096 CG BGLU B 84 31.841 26.838 11.176 0.35 39.64 C -ATOM 2097 CD AGLU B 84 30.459 27.013 11.860 0.65 48.01 C -ATOM 2098 CD BGLU B 84 32.493 25.497 11.278 0.35 40.27 C -ATOM 2099 OE1AGLU B 84 30.158 28.005 12.551 0.65 48.59 O -ATOM 2100 OE1BGLU B 84 33.712 25.329 11.082 0.35 38.21 O -ATOM 2101 OE2AGLU B 84 29.603 26.106 11.633 0.65 50.26 O -ATOM 2102 OE2BGLU B 84 31.752 24.501 11.542 0.35 42.48 O -ATOM 2103 N ARG B 85 33.122 31.065 11.777 1.00 30.14 N -ATOM 2104 CA ARG B 85 33.975 32.265 11.818 1.00 26.42 C -ATOM 2105 C ARG B 85 35.193 32.114 10.951 1.00 26.88 C -ATOM 2106 O ARG B 85 35.631 33.103 10.337 1.00 25.48 O -ATOM 2107 CB ARG B 85 34.370 32.568 13.270 1.00 27.83 C -ATOM 2108 CG ARG B 85 35.202 33.797 13.486 1.00 30.13 C -ATOM 2109 CD ARG B 85 35.530 34.015 14.961 1.00 30.35 C -ATOM 2110 NE ARG B 85 36.386 35.195 15.176 1.00 33.13 N -ATOM 2111 CZ ARG B 85 35.897 36.402 15.446 1.00 33.16 C -ATOM 2112 NH1 ARG B 85 34.576 36.589 15.522 1.00 32.09 N -ATOM 2113 NH2 ARG B 85 36.717 37.425 15.665 1.00 33.00 N -ATOM 2114 N ALA B 86 35.847 30.939 10.934 1.00 26.61 N -ATOM 2115 CA ALA B 86 37.038 30.760 10.124 1.00 25.94 C -ATOM 2116 C ALA B 86 36.756 30.952 8.631 1.00 26.31 C -ATOM 2117 O ALA B 86 37.587 31.597 7.987 1.00 23.73 O -ATOM 2118 CB ALA B 86 37.691 29.404 10.358 1.00 27.80 C -ATOM 2119 N ASP B 87 35.606 30.507 8.125 1.00 25.89 N -ATOM 2120 CA ASP B 87 35.216 30.712 6.735 1.00 26.18 C -ATOM 2121 C ASP B 87 35.011 32.226 6.489 1.00 22.48 C -ATOM 2122 O ASP B 87 35.415 32.704 5.432 1.00 24.68 O -ATOM 2123 CB ASP B 87 33.938 29.975 6.354 1.00 29.45 C -ATOM 2124 CG ASP B 87 34.004 28.460 6.588 1.00 32.55 C -ATOM 2125 OD1 ASP B 87 34.886 27.827 5.992 1.00 33.25 O -ATOM 2126 OD2 ASP B 87 33.159 27.933 7.339 1.00 34.55 O -ATOM 2127 N SER B 88 34.363 32.908 7.419 1.00 21.12 N -ATOM 2128 CA SER B 88 34.185 34.362 7.278 1.00 21.71 C -ATOM 2129 C SER B 88 35.518 35.093 7.221 1.00 23.27 C -ATOM 2130 O SER B 88 35.690 36.031 6.421 1.00 23.47 O -ATOM 2131 CB SER B 88 33.297 34.955 8.346 1.00 28.84 C -ATOM 2132 OG SER B 88 31.969 34.455 8.188 1.00 34.22 O -ATOM 2133 N VAL B 89 36.433 34.794 8.146 1.00 21.05 N -ATOM 2134 CA VAL B 89 37.732 35.464 8.140 1.00 20.93 C -ATOM 2135 C VAL B 89 38.461 35.188 6.860 1.00 20.37 C -ATOM 2136 O VAL B 89 39.009 36.098 6.228 1.00 21.58 O -ATOM 2137 CB VAL B 89 38.599 35.077 9.361 1.00 18.76 C -ATOM 2138 CG1 VAL B 89 39.967 35.720 9.256 1.00 20.78 C -ATOM 2139 CG2 VAL B 89 37.879 35.618 10.633 1.00 19.89 C -ATOM 2140 N LEU B 90 38.431 33.925 6.387 1.00 20.29 N -ATOM 2141 CA LEU B 90 39.106 33.601 5.112 1.00 19.11 C -ATOM 2142 C LEU B 90 38.463 34.375 3.958 1.00 20.14 C -ATOM 2143 O LEU B 90 39.213 34.847 3.055 1.00 21.92 O -ATOM 2144 CB LEU B 90 38.969 32.087 4.849 1.00 23.62 C -ATOM 2145 CG LEU B 90 39.969 31.240 5.687 1.00 26.36 C -ATOM 2146 CD1 LEU B 90 39.694 29.751 5.402 1.00 25.14 C -ATOM 2147 CD2 LEU B 90 41.385 31.519 5.205 1.00 25.83 C -ATOM 2148 N ALA B 91 37.177 34.558 3.986 1.00 20.09 N -ATOM 2149 CA ALA B 91 36.550 35.371 2.881 1.00 20.12 C -ATOM 2150 C ALA B 91 37.050 36.785 2.958 1.00 23.26 C -ATOM 2151 O ALA B 91 37.371 37.455 1.974 1.00 21.35 O -ATOM 2152 CB ALA B 91 35.031 35.335 3.078 1.00 23.44 C -ATOM 2153 N GLY B 92 37.125 37.323 4.202 1.00 21.55 N -ATOM 2154 CA GLY B 92 37.596 38.702 4.360 1.00 20.98 C -ATOM 2155 C GLY B 92 39.001 38.894 3.904 1.00 21.40 C -ATOM 2156 O GLY B 92 39.326 39.943 3.330 1.00 21.32 O -ATOM 2157 N LEU B 93 39.889 37.892 4.115 1.00 20.43 N -ATOM 2158 CA LEU B 93 41.268 38.034 3.699 1.00 21.06 C -ATOM 2159 C LEU B 93 41.454 38.210 2.204 1.00 22.69 C -ATOM 2160 O LEU B 93 42.404 38.850 1.759 1.00 23.05 O -ATOM 2161 CB LEU B 93 42.096 36.772 4.106 1.00 21.37 C -ATOM 2162 CG LEU B 93 42.206 36.559 5.614 1.00 23.25 C -ATOM 2163 CD1 LEU B 93 43.160 35.393 5.900 1.00 24.72 C -ATOM 2164 CD2 LEU B 93 42.741 37.808 6.318 1.00 22.50 C -ATOM 2165 N LYS B 94 40.550 37.655 1.389 1.00 23.78 N -ATOM 2166 CA LYS B 94 40.714 37.823 -0.070 1.00 23.01 C -ATOM 2167 C LYS B 94 40.616 39.280 -0.488 1.00 23.84 C -ATOM 2168 O LYS B 94 41.045 39.631 -1.587 1.00 23.63 O -ATOM 2169 CB LYS B 94 39.589 37.048 -0.770 1.00 20.51 C -ATOM 2170 CG LYS B 94 39.572 35.576 -0.433 1.00 24.14 C -ATOM 2171 CD LYS B 94 38.356 34.885 -1.094 1.00 25.35 C -ATOM 2172 CE LYS B 94 38.442 33.383 -0.776 1.00 27.78 C -ATOM 2173 NZ LYS B 94 37.390 32.634 -1.558 1.00 27.65 N -ATOM 2174 N ALA B 95 40.018 40.124 0.345 1.00 22.12 N -ATOM 2175 CA ALA B 95 39.836 41.532 0.034 1.00 22.47 C -ATOM 2176 C ALA B 95 40.772 42.444 0.781 1.00 25.78 C -ATOM 2177 O ALA B 95 40.593 43.679 0.823 1.00 25.15 O -ATOM 2178 CB ALA B 95 38.369 41.888 0.342 1.00 27.70 C -ATOM 2179 N ALA B 96 41.827 41.883 1.377 1.00 22.98 N -ATOM 2180 CA ALA B 96 42.756 42.713 2.162 1.00 25.63 C -ATOM 2181 C ALA B 96 43.752 43.510 1.363 1.00 29.23 C -ATOM 2182 O ALA B 96 44.603 44.231 1.929 1.00 29.57 O -ATOM 2183 CB ALA B 96 43.448 41.821 3.179 1.00 20.35 C -ATOM 2184 N GLY B 97 43.742 43.361 0.043 1.00 27.81 N -ATOM 2185 CA GLY B 97 44.624 44.181 -0.801 1.00 29.80 C -ATOM 2186 C GLY B 97 46.088 43.873 -0.608 1.00 29.26 C -ATOM 2187 O GLY B 97 46.508 42.727 -0.629 1.00 27.39 O -ATOM 2188 N ASP B 98 46.889 44.918 -0.397 1.00 30.10 N -ATOM 2189 CA ASP B 98 48.326 44.731 -0.223 1.00 30.70 C -ATOM 2190 C ASP B 98 48.755 44.583 1.229 1.00 31.31 C -ATOM 2191 O ASP B 98 49.954 44.464 1.509 1.00 31.40 O -ATOM 2192 CB ASP B 98 49.027 45.997 -0.802 1.00 36.54 C -ATOM 2193 N ALA B 99 47.821 44.567 2.184 1.00 27.17 N -ATOM 2194 CA ALA B 99 48.258 44.449 3.584 1.00 28.81 C -ATOM 2195 C ALA B 99 48.971 43.158 3.888 1.00 28.50 C -ATOM 2196 O ALA B 99 48.534 42.068 3.513 1.00 32.18 O -ATOM 2197 CB ALA B 99 47.039 44.643 4.495 1.00 25.78 C -ATOM 2198 N GLN B 100 50.097 43.223 4.640 1.00 27.56 N -ATOM 2199 CA GLN B 100 50.784 41.979 4.983 1.00 28.01 C -ATOM 2200 C GLN B 100 50.383 41.518 6.403 1.00 25.44 C -ATOM 2201 O GLN B 100 50.646 40.380 6.745 1.00 25.30 O -ATOM 2202 CB GLN B 100 52.291 42.088 4.923 1.00 36.02 C -ATOM 2203 CG GLN B 100 52.824 42.402 3.499 1.00 44.53 C -ATOM 2204 CD GLN B 100 54.330 42.645 3.614 1.00 51.34 C -ATOM 2205 OE1 GLN B 100 55.122 41.713 3.512 1.00 56.53 O -ATOM 2206 NE2 GLN B 100 54.704 43.886 3.891 1.00 53.83 N -ATOM 2207 N TRP B 101 49.764 42.433 7.148 1.00 24.52 N -ATOM 2208 CA TRP B 101 49.283 42.105 8.501 1.00 22.11 C -ATOM 2209 C TRP B 101 47.776 42.361 8.550 1.00 21.20 C -ATOM 2210 O TRP B 101 47.281 43.375 7.992 1.00 21.17 O -ATOM 2211 CB TRP B 101 49.970 42.997 9.548 1.00 24.77 C -ATOM 2212 CG TRP B 101 51.326 42.469 9.942 1.00 27.43 C -ATOM 2213 CD1 TRP B 101 52.478 42.590 9.201 1.00 30.36 C -ATOM 2214 CD2 TRP B 101 51.661 41.735 11.112 1.00 27.18 C -ATOM 2215 NE1 TRP B 101 53.524 41.995 9.873 1.00 32.46 N -ATOM 2216 CE2 TRP B 101 53.049 41.453 11.046 1.00 32.20 C -ATOM 2217 CE3 TRP B 101 50.947 41.295 12.224 1.00 21.70 C -ATOM 2218 CZ2 TRP B 101 53.714 40.743 12.045 1.00 26.32 C -ATOM 2219 CZ3 TRP B 101 51.603 40.593 13.225 1.00 24.95 C -ATOM 2220 CH2 TRP B 101 52.997 40.334 13.126 1.00 27.70 C -ATOM 2221 N VAL B 102 47.039 41.571 9.327 1.00 20.57 N -ATOM 2222 CA VAL B 102 45.582 41.695 9.370 1.00 17.60 C -ATOM 2223 C VAL B 102 45.067 41.662 10.819 1.00 19.39 C -ATOM 2224 O VAL B 102 45.628 40.917 11.618 1.00 19.92 O -ATOM 2225 CB VAL B 102 44.920 40.510 8.616 1.00 25.21 C -ATOM 2226 CG1 VAL B 102 43.402 40.488 8.827 1.00 26.64 C -ATOM 2227 CG2 VAL B 102 45.210 40.651 7.100 1.00 24.08 C -ATOM 2228 N LEU B 103 44.123 42.535 11.116 1.00 18.48 N -ATOM 2229 CA LEU B 103 43.492 42.525 12.464 1.00 19.53 C -ATOM 2230 C LEU B 103 42.129 41.819 12.288 1.00 19.42 C -ATOM 2231 O LEU B 103 41.433 42.137 11.321 1.00 20.49 O -ATOM 2232 CB LEU B 103 43.137 43.956 12.878 1.00 20.77 C -ATOM 2233 CG LEU B 103 44.117 44.986 13.290 1.00 26.36 C -ATOM 2234 CD1 LEU B 103 43.496 46.403 13.269 1.00 24.30 C -ATOM 2235 CD2 LEU B 103 44.666 44.697 14.695 1.00 27.14 C -ATOM 2236 N VAL B 104 41.719 40.988 13.241 1.00 18.00 N -ATOM 2237 CA VAL B 104 40.405 40.338 13.130 1.00 19.37 C -ATOM 2238 C VAL B 104 39.672 40.828 14.397 1.00 19.18 C -ATOM 2239 O VAL B 104 40.253 40.628 15.482 1.00 20.26 O -ATOM 2240 CB VAL B 104 40.468 38.823 13.102 1.00 18.79 C -ATOM 2241 CG1 VAL B 104 39.030 38.273 12.934 1.00 19.19 C -ATOM 2242 CG2 VAL B 104 41.316 38.329 11.919 1.00 16.87 C -ATOM 2243 N HIS B 105 38.563 41.486 14.278 1.00 16.86 N -ATOM 2244 CA HIS B 105 37.942 42.046 15.507 1.00 16.71 C -ATOM 2245 C HIS B 105 36.487 41.621 15.570 1.00 19.03 C -ATOM 2246 O HIS B 105 35.771 41.580 14.583 1.00 19.31 O -ATOM 2247 CB HIS B 105 38.044 43.593 15.445 1.00 17.97 C -ATOM 2248 CG HIS B 105 37.428 44.293 16.627 1.00 19.28 C -ATOM 2249 ND1 HIS B 105 37.883 44.104 17.902 1.00 21.41 N -ATOM 2250 CD2 HIS B 105 36.433 45.211 16.703 1.00 18.95 C -ATOM 2251 CE1 HIS B 105 37.188 44.854 18.760 1.00 21.53 C -ATOM 2252 NE2 HIS B 105 36.290 45.553 18.057 1.00 21.00 N -ATOM 2253 N ASP B 106 36.015 41.399 16.797 1.00 18.42 N -ATOM 2254 CA ASP B 106 34.624 41.017 16.995 1.00 20.95 C -ATOM 2255 C ASP B 106 33.714 42.195 16.673 1.00 20.22 C -ATOM 2256 O ASP B 106 33.822 43.284 17.207 1.00 21.56 O -ATOM 2257 CB ASP B 106 34.376 40.659 18.479 1.00 22.46 C -ATOM 2258 CG ASP B 106 34.861 39.286 18.856 1.00 29.01 C -ATOM 2259 OD1 ASP B 106 35.037 39.035 20.085 1.00 28.50 O -ATOM 2260 OD2 ASP B 106 35.081 38.432 17.975 1.00 25.20 O -ATOM 2261 N ALA B 107 32.673 41.898 15.882 1.00 23.16 N -ATOM 2262 CA ALA B 107 31.687 42.937 15.584 1.00 23.95 C -ATOM 2263 C ALA B 107 31.027 43.421 16.876 1.00 22.82 C -ATOM 2264 O ALA B 107 30.639 44.612 16.907 1.00 24.55 O -ATOM 2265 CB ALA B 107 30.594 42.326 14.677 1.00 22.27 C -ATOM 2266 N ALA B 108 30.915 42.618 17.911 1.00 22.03 N -ATOM 2267 CA ALA B 108 30.250 43.057 19.165 1.00 23.38 C -ATOM 2268 C ALA B 108 31.169 43.482 20.279 1.00 23.72 C -ATOM 2269 O ALA B 108 30.869 43.390 21.486 1.00 22.23 O -ATOM 2270 CB ALA B 108 29.263 41.985 19.614 1.00 22.91 C -ATOM 2271 N ARG B 109 32.337 44.077 19.917 1.00 19.93 N -ATOM 2272 CA ARG B 109 33.281 44.639 20.889 1.00 19.41 C -ATOM 2273 C ARG B 109 33.433 46.110 20.533 1.00 21.97 C -ATOM 2274 O ARG B 109 34.440 46.572 19.971 1.00 21.00 O -ATOM 2275 CB ARG B 109 34.602 43.909 20.983 1.00 18.06 C -ATOM 2276 CG ARG B 109 34.607 42.662 21.862 1.00 21.56 C -ATOM 2277 CD ARG B 109 35.979 41.948 21.875 1.00 19.46 C -ATOM 2278 NE ARG B 109 35.899 40.582 22.374 1.00 21.58 N -ATOM 2279 CZ ARG B 109 35.875 40.173 23.623 1.00 23.52 C -ATOM 2280 NH1 ARG B 109 35.910 41.016 24.668 1.00 21.20 N -ATOM 2281 NH2 ARG B 109 35.793 38.882 23.913 1.00 25.29 N -ATOM 2282 N PRO B 110 32.450 46.935 20.954 1.00 19.53 N -ATOM 2283 CA PRO B 110 32.436 48.331 20.555 1.00 20.36 C -ATOM 2284 C PRO B 110 33.195 49.268 21.431 1.00 19.42 C -ATOM 2285 O PRO B 110 33.280 50.470 21.083 1.00 22.73 O -ATOM 2286 CB PRO B 110 30.898 48.662 20.636 1.00 18.81 C -ATOM 2287 CG PRO B 110 30.548 47.900 21.903 1.00 21.52 C -ATOM 2288 CD PRO B 110 31.218 46.540 21.661 1.00 20.90 C -ATOM 2289 N CYS B 111 33.793 48.810 22.519 1.00 19.38 N -ATOM 2290 CA CYS B 111 34.473 49.632 23.469 1.00 17.41 C -ATOM 2291 C CYS B 111 36.015 49.579 23.329 1.00 21.46 C -ATOM 2292 O CYS B 111 36.671 50.264 24.136 1.00 23.00 O -ATOM 2293 CB CYS B 111 34.119 49.301 24.919 1.00 22.12 C -ATOM 2294 SG CYS B 111 32.351 49.250 25.244 1.00 21.74 S -ATOM 2295 N LEU B 112 36.494 49.062 22.230 1.00 20.58 N -ATOM 2296 CA LEU B 112 37.921 48.970 21.956 1.00 22.32 C -ATOM 2297 C LEU B 112 38.533 50.382 22.011 1.00 24.58 C -ATOM 2298 O LEU B 112 38.052 51.257 21.284 1.00 23.86 O -ATOM 2299 CB LEU B 112 38.167 48.420 20.537 1.00 21.26 C -ATOM 2300 CG LEU B 112 39.613 48.481 20.007 1.00 20.56 C -ATOM 2301 CD1 LEU B 112 40.535 47.699 20.928 1.00 19.95 C -ATOM 2302 CD2 LEU B 112 39.633 47.913 18.588 1.00 22.85 C -ATOM 2303 N HIS B 113 39.573 50.525 22.791 1.00 22.20 N -ATOM 2304 CA HIS B 113 40.254 51.814 22.945 1.00 22.91 C -ATOM 2305 C HIS B 113 41.455 51.899 22.010 1.00 22.32 C -ATOM 2306 O HIS B 113 42.178 50.955 21.804 1.00 21.03 O -ATOM 2307 CB HIS B 113 40.714 51.929 24.423 1.00 24.47 C -ATOM 2308 CG HIS B 113 41.170 53.313 24.757 1.00 30.40 C -ATOM 2309 ND1 HIS B 113 40.408 54.244 25.408 1.00 37.69 N -ATOM 2310 CD2 HIS B 113 42.323 53.936 24.426 1.00 26.82 C -ATOM 2311 CE1 HIS B 113 41.080 55.400 25.517 1.00 29.47 C -ATOM 2312 NE2 HIS B 113 42.265 55.217 24.916 1.00 34.38 N -ATOM 2313 N GLN B 114 41.705 53.131 21.504 1.00 21.91 N -ATOM 2314 CA GLN B 114 42.793 53.382 20.587 1.00 22.59 C -ATOM 2315 C GLN B 114 44.156 53.049 21.163 1.00 24.16 C -ATOM 2316 O GLN B 114 45.028 52.587 20.438 1.00 23.72 O -ATOM 2317 CB GLN B 114 42.704 54.847 20.072 1.00 20.94 C -ATOM 2318 CG GLN B 114 42.873 55.945 21.082 1.00 22.92 C -ATOM 2319 CD GLN B 114 41.602 56.388 21.787 1.00 28.73 C -ATOM 2320 OE1 GLN B 114 40.629 55.628 21.871 1.00 27.21 O -ATOM 2321 NE2 GLN B 114 41.543 57.649 22.269 1.00 27.79 N -ATOM 2322 N ASP B 115 44.337 53.241 22.472 1.00 22.57 N -ATOM 2323 CA ASP B 115 45.579 52.940 23.156 1.00 25.11 C -ATOM 2324 C ASP B 115 45.912 51.450 23.020 1.00 22.18 C -ATOM 2325 O ASP B 115 47.052 51.110 22.772 1.00 24.43 O -ATOM 2326 CB ASP B 115 45.504 53.228 24.657 1.00 28.47 C -ATOM 2327 CG ASP B 115 45.428 54.685 24.977 1.00 32.39 C -ATOM 2328 OD1 ASP B 115 45.241 55.014 26.162 1.00 33.51 O -ATOM 2329 OD2 ASP B 115 45.538 55.510 24.030 1.00 33.05 O -ATOM 2330 N ASP B 116 44.901 50.617 23.277 1.00 21.69 N -ATOM 2331 CA ASP B 116 45.093 49.160 23.164 1.00 20.88 C -ATOM 2332 C ASP B 116 45.389 48.767 21.716 1.00 20.64 C -ATOM 2333 O ASP B 116 46.294 47.991 21.388 1.00 18.58 O -ATOM 2334 CB ASP B 116 43.818 48.469 23.647 1.00 22.97 C -ATOM 2335 CG ASP B 116 43.631 48.542 25.165 1.00 24.27 C -ATOM 2336 OD1 ASP B 116 44.550 48.937 25.893 1.00 24.69 O -ATOM 2337 OD2 ASP B 116 42.567 48.067 25.626 1.00 26.10 O -ATOM 2338 N LEU B 117 44.618 49.323 20.781 1.00 20.74 N -ATOM 2339 CA LEU B 117 44.857 49.029 19.350 1.00 19.69 C -ATOM 2340 C LEU B 117 46.249 49.413 18.929 1.00 21.64 C -ATOM 2341 O LEU B 117 46.951 48.678 18.215 1.00 20.77 O -ATOM 2342 CB LEU B 117 43.794 49.824 18.556 1.00 20.07 C -ATOM 2343 CG LEU B 117 43.882 49.760 17.038 1.00 21.73 C -ATOM 2344 CD1 LEU B 117 43.741 48.312 16.571 1.00 22.57 C -ATOM 2345 CD2 LEU B 117 42.802 50.615 16.402 1.00 22.35 C -ATOM 2346 N ALA B 118 46.742 50.580 19.388 1.00 21.45 N -ATOM 2347 CA ALA B 118 48.090 51.007 19.008 1.00 22.66 C -ATOM 2348 C ALA B 118 49.172 50.094 19.567 1.00 21.60 C -ATOM 2349 O ALA B 118 50.093 49.717 18.836 1.00 22.27 O -ATOM 2350 CB ALA B 118 48.320 52.470 19.436 1.00 22.86 C -ATOM 2351 N ARG B 119 49.021 49.636 20.815 1.00 24.24 N -ATOM 2352 CA ARG B 119 49.940 48.733 21.479 1.00 25.37 C -ATOM 2353 C ARG B 119 49.972 47.394 20.740 1.00 25.27 C -ATOM 2354 O ARG B 119 51.010 46.793 20.486 1.00 24.74 O -ATOM 2355 CB ARG B 119 49.543 48.503 22.952 1.00 26.20 C -ATOM 2356 CG ARG B 119 50.576 47.850 23.834 1.00 31.67 C -ATOM 2357 CD ARG B 119 50.158 47.832 25.326 1.00 39.11 C -ATOM 2358 NE ARG B 119 49.554 49.099 25.715 1.00 38.29 N -ATOM 2359 CZ ARG B 119 48.291 49.259 26.089 1.00 41.08 C -ATOM 2360 NH1 ARG B 119 47.843 50.486 26.376 1.00 38.73 N -ATOM 2361 NH2 ARG B 119 47.461 48.220 26.182 1.00 34.57 N -ATOM 2362 N LEU B 120 48.774 46.919 20.330 1.00 20.77 N -ATOM 2363 CA LEU B 120 48.746 45.670 19.568 1.00 21.93 C -ATOM 2364 C LEU B 120 49.388 45.813 18.193 1.00 21.01 C -ATOM 2365 O LEU B 120 50.198 44.983 17.754 1.00 21.98 O -ATOM 2366 CB LEU B 120 47.283 45.250 19.359 1.00 19.22 C -ATOM 2367 CG LEU B 120 47.099 43.935 18.595 1.00 21.27 C -ATOM 2368 CD1 LEU B 120 47.590 42.749 19.410 1.00 22.90 C -ATOM 2369 CD2 LEU B 120 45.618 43.786 18.224 1.00 19.60 C -ATOM 2370 N LEU B 121 49.124 46.944 17.516 1.00 22.19 N -ATOM 2371 CA LEU B 121 49.690 47.149 16.178 1.00 23.85 C -ATOM 2372 C LEU B 121 51.211 47.244 16.221 1.00 26.68 C -ATOM 2373 O LEU B 121 51.875 46.823 15.271 1.00 24.62 O -ATOM 2374 CB LEU B 121 49.129 48.433 15.529 1.00 24.59 C -ATOM 2375 CG LEU B 121 47.750 48.314 14.917 1.00 29.62 C -ATOM 2376 CD1 LEU B 121 47.389 49.576 14.122 1.00 26.84 C -ATOM 2377 CD2 LEU B 121 47.633 47.091 14.028 1.00 26.45 C -ATOM 2378 N ALA B 122 51.758 47.615 17.373 1.00 29.55 N -ATOM 2379 CA ALA B 122 53.214 47.672 17.546 1.00 32.91 C -ATOM 2380 C ALA B 122 53.847 46.299 17.395 1.00 34.32 C -ATOM 2381 O ALA B 122 55.052 46.205 17.100 1.00 34.18 O -ATOM 2382 CB ALA B 122 53.559 48.268 18.899 1.00 34.83 C -ATOM 2383 N LEU B 123 53.098 45.197 17.541 1.00 32.76 N -ATOM 2384 CA LEU B 123 53.637 43.872 17.343 1.00 34.32 C -ATOM 2385 C LEU B 123 54.200 43.598 15.956 1.00 35.80 C -ATOM 2386 O LEU B 123 55.010 42.644 15.818 1.00 38.23 O -ATOM 2387 CB LEU B 123 52.599 42.785 17.645 1.00 33.93 C -ATOM 2388 CG LEU B 123 52.189 42.511 19.067 1.00 38.07 C -ATOM 2389 CD1 LEU B 123 51.110 41.432 19.149 1.00 36.44 C -ATOM 2390 CD2 LEU B 123 53.382 42.057 19.923 1.00 39.23 C -ATOM 2391 N SER B 124 53.754 44.230 14.896 1.00 36.98 N -ATOM 2392 CA SER B 124 54.245 43.974 13.547 1.00 40.64 C -ATOM 2393 C SER B 124 55.666 44.504 13.339 1.00 44.43 C -ATOM 2394 O SER B 124 56.334 44.142 12.368 1.00 46.79 O -ATOM 2395 CB SER B 124 53.344 44.558 12.488 1.00 39.45 C -ATOM 2396 OG SER B 124 53.319 45.976 12.512 1.00 35.90 O -ATOM 2397 N GLU B 125 56.084 45.426 14.198 1.00 46.75 N -ATOM 2398 CA GLU B 125 57.433 45.986 14.097 1.00 48.82 C -ATOM 2399 C GLU B 125 58.445 44.975 14.654 1.00 49.44 C -ATOM 2400 O GLU B 125 59.541 44.837 14.103 1.00 51.68 O -ATOM 2401 CB GLU B 125 57.530 47.282 14.916 1.00 43.90 C -ATOM 2402 N THR B 126 58.001 44.148 15.580 1.00 49.47 N -ATOM 2403 CA THR B 126 58.806 43.195 16.266 1.00 50.12 C -ATOM 2404 C THR B 126 58.546 41.722 16.170 1.00 49.96 C -ATOM 2405 O THR B 126 59.545 40.967 16.327 1.00 53.44 O -ATOM 2406 CB THR B 126 58.742 43.516 17.816 1.00 52.22 C -ATOM 2407 OG1 THR B 126 58.940 42.283 18.522 1.00 54.42 O -ATOM 2408 CG2 THR B 126 57.382 44.075 18.162 1.00 51.98 C -ATOM 2409 N SER B 127 57.333 41.224 16.063 1.00 47.71 N -ATOM 2410 CA SER B 127 57.050 39.797 16.108 1.00 43.50 C -ATOM 2411 C SER B 127 56.806 39.145 14.767 1.00 41.94 C -ATOM 2412 O SER B 127 56.682 39.847 13.763 1.00 38.83 O -ATOM 2413 CB SER B 127 55.856 39.564 17.051 1.00 47.84 C -ATOM 2414 OG SER B 127 55.239 38.301 16.847 1.00 51.90 O -ATOM 2415 N ARG B 128 56.861 37.800 14.743 1.00 38.70 N -ATOM 2416 CA ARG B 128 56.620 37.082 13.503 1.00 38.09 C -ATOM 2417 C ARG B 128 55.299 36.328 13.537 1.00 37.23 C -ATOM 2418 O ARG B 128 54.844 35.797 12.522 1.00 37.97 O -ATOM 2419 CB ARG B 128 57.720 36.035 13.216 1.00 36.62 C -ATOM 2420 CG ARG B 128 59.116 36.631 13.118 1.00 41.53 C -ATOM 2421 N THR B 129 54.734 36.142 14.743 1.00 34.68 N -ATOM 2422 CA THR B 129 53.519 35.333 14.815 1.00 33.69 C -ATOM 2423 C THR B 129 52.306 36.144 15.255 1.00 32.74 C -ATOM 2424 O THR B 129 51.189 35.609 15.107 1.00 36.90 O -ATOM 2425 CB THR B 129 53.688 34.078 15.660 1.00 39.19 C -ATOM 2426 OG1 THR B 129 54.143 34.420 16.967 1.00 38.58 O -ATOM 2427 CG2 THR B 129 54.692 33.118 15.026 1.00 40.77 C -ATOM 2428 N GLY B 130 52.492 37.358 15.669 1.00 29.78 N -ATOM 2429 CA GLY B 130 51.396 38.243 16.052 1.00 29.69 C -ATOM 2430 C GLY B 130 50.955 37.971 17.499 1.00 30.39 C -ATOM 2431 O GLY B 130 51.664 37.366 18.300 1.00 27.59 O -ATOM 2432 N GLY B 131 49.759 38.437 17.795 1.00 25.90 N -ATOM 2433 CA GLY B 131 49.249 38.323 19.172 1.00 24.28 C -ATOM 2434 C GLY B 131 47.867 38.941 19.243 1.00 24.03 C -ATOM 2435 O GLY B 131 47.272 39.328 18.253 1.00 20.46 O -ATOM 2436 N ILE B 132 47.316 38.875 20.466 1.00 22.37 N -ATOM 2437 CA ILE B 132 45.978 39.353 20.719 1.00 21.03 C -ATOM 2438 C ILE B 132 45.893 40.271 21.934 1.00 22.78 C -ATOM 2439 O ILE B 132 46.779 40.306 22.786 1.00 21.64 O -ATOM 2440 CB ILE B 132 45.072 38.118 20.972 1.00 21.10 C -ATOM 2441 CG1 ILE B 132 45.436 37.485 22.340 1.00 19.83 C -ATOM 2442 CG2 ILE B 132 45.239 37.040 19.894 1.00 18.41 C -ATOM 2443 CD1 ILE B 132 44.370 36.532 22.885 1.00 21.09 C -ATOM 2444 N LEU B 133 44.859 41.141 21.949 1.00 20.58 N -ATOM 2445 CA LEU B 133 44.615 41.879 23.190 1.00 21.19 C -ATOM 2446 C LEU B 133 44.103 40.836 24.215 1.00 20.88 C -ATOM 2447 O LEU B 133 43.310 39.935 23.832 1.00 19.72 O -ATOM 2448 CB LEU B 133 43.510 42.900 23.012 1.00 20.29 C -ATOM 2449 CG LEU B 133 43.883 44.357 22.855 1.00 29.94 C -ATOM 2450 CD1 LEU B 133 45.340 44.682 22.666 1.00 27.49 C -ATOM 2451 CD2 LEU B 133 42.952 45.091 21.954 1.00 18.26 C -ATOM 2452 N ALA B 134 44.408 41.050 25.463 1.00 19.86 N -ATOM 2453 CA ALA B 134 43.948 40.065 26.489 1.00 18.62 C -ATOM 2454 C ALA B 134 43.924 40.731 27.857 1.00 21.21 C -ATOM 2455 O ALA B 134 44.597 41.716 28.064 1.00 20.04 O -ATOM 2456 CB ALA B 134 44.865 38.858 26.473 1.00 21.77 C -ATOM 2457 N ALA B 135 43.109 40.143 28.750 1.00 22.32 N -ATOM 2458 CA ALA B 135 43.019 40.738 30.096 1.00 24.00 C -ATOM 2459 C ALA B 135 43.214 39.607 31.137 1.00 24.57 C -ATOM 2460 O ALA B 135 42.614 38.563 31.019 1.00 23.26 O -ATOM 2461 CB ALA B 135 41.658 41.355 30.305 1.00 25.40 C -ATOM 2462 N PRO B 136 44.150 39.834 32.037 1.00 25.86 N -ATOM 2463 CA PRO B 136 44.444 38.866 33.089 1.00 26.54 C -ATOM 2464 C PRO B 136 43.230 38.621 33.971 1.00 25.62 C -ATOM 2465 O PRO B 136 42.478 39.535 34.280 1.00 25.32 O -ATOM 2466 CB PRO B 136 45.566 39.504 33.901 1.00 27.15 C -ATOM 2467 CG PRO B 136 46.060 40.640 33.089 1.00 32.58 C -ATOM 2468 CD PRO B 136 44.928 41.086 32.191 1.00 27.18 C -ATOM 2469 N VAL B 137 43.080 37.377 34.435 1.00 24.49 N -ATOM 2470 CA VAL B 137 42.001 37.048 35.371 1.00 24.62 C -ATOM 2471 C VAL B 137 42.317 37.667 36.750 1.00 27.58 C -ATOM 2472 O VAL B 137 43.384 37.377 37.288 1.00 29.71 O -ATOM 2473 CB VAL B 137 41.856 35.530 35.500 1.00 24.75 C -ATOM 2474 CG1 VAL B 137 40.884 35.166 36.601 1.00 25.87 C -ATOM 2475 CG2 VAL B 137 41.344 34.994 34.151 1.00 25.57 C -ATOM 2476 N ARG B 138 41.426 38.489 37.245 1.00 28.14 N -ATOM 2477 CA ARG B 138 41.640 39.189 38.520 1.00 29.80 C -ATOM 2478 C ARG B 138 40.710 38.665 39.607 1.00 30.99 C -ATOM 2479 O ARG B 138 40.840 39.088 40.782 1.00 30.33 O -ATOM 2480 CB ARG B 138 41.423 40.690 38.369 1.00 31.90 C -ATOM 2481 CG ARG B 138 42.462 41.438 37.544 1.00 41.27 C -ATOM 2482 CD ARG B 138 43.817 40.807 37.633 1.00 46.03 C -ATOM 2483 NE ARG B 138 44.969 41.662 37.441 1.00 48.42 N -ATOM 2484 CZ ARG B 138 46.215 41.151 37.473 1.00 53.41 C -ATOM 2485 NH1 ARG B 138 46.405 39.852 37.686 1.00 52.60 N -ATOM 2486 NH2 ARG B 138 47.247 41.956 37.274 1.00 54.95 N -ATOM 2487 N ASP B 139 39.779 37.818 39.221 1.00 28.42 N -ATOM 2488 CA ASP B 139 38.824 37.257 40.181 1.00 28.19 C -ATOM 2489 C ASP B 139 39.132 35.784 40.384 1.00 28.48 C -ATOM 2490 O ASP B 139 40.288 35.385 40.229 1.00 30.33 O -ATOM 2491 CB ASP B 139 37.405 37.510 39.736 1.00 29.26 C -ATOM 2492 CG ASP B 139 37.067 36.903 38.373 1.00 32.13 C -ATOM 2493 OD1 ASP B 139 35.861 36.759 38.123 1.00 28.06 O -ATOM 2494 OD2 ASP B 139 37.966 36.571 37.571 1.00 29.65 O -ATOM 2495 N THR B 140 38.158 35.004 40.812 1.00 26.28 N -ATOM 2496 CA THR B 140 38.412 33.582 41.091 1.00 27.79 C -ATOM 2497 C THR B 140 37.457 32.777 40.202 1.00 25.38 C -ATOM 2498 O THR B 140 36.347 33.263 39.908 1.00 28.04 O -ATOM 2499 CB THR B 140 38.097 33.230 42.554 1.00 27.40 C -ATOM 2500 OG1 THR B 140 36.746 33.624 42.792 1.00 34.13 O -ATOM 2501 CG2 THR B 140 39.007 33.999 43.499 1.00 29.73 C -ATOM 2502 N MET B 141 37.981 31.675 39.702 1.00 22.41 N -ATOM 2503 CA MET B 141 37.152 30.900 38.764 1.00 22.52 C -ATOM 2504 C MET B 141 36.969 29.473 39.268 1.00 21.34 C -ATOM 2505 O MET B 141 37.794 28.948 39.976 1.00 24.40 O -ATOM 2506 CB MET B 141 37.844 30.873 37.382 1.00 21.13 C -ATOM 2507 CG MET B 141 37.572 32.261 36.718 1.00 26.28 C -ATOM 2508 SD MET B 141 38.019 32.277 35.010 1.00 27.78 S -ATOM 2509 CE MET B 141 37.650 34.044 34.656 1.00 26.50 C -ATOM 2510 N LYS B 142 35.824 28.899 38.913 1.00 22.05 N -ATOM 2511 CA LYS B 142 35.485 27.546 39.279 1.00 21.78 C -ATOM 2512 C LYS B 142 35.200 26.709 38.035 1.00 23.22 C -ATOM 2513 O LYS B 142 34.617 27.208 37.058 1.00 22.47 O -ATOM 2514 CB LYS B 142 34.198 27.537 40.158 1.00 20.52 C -ATOM 2515 CG LYS B 142 34.300 28.459 41.381 1.00 17.32 C -ATOM 2516 CD LYS B 142 35.386 28.000 42.369 1.00 23.68 C -ATOM 2517 CE LYS B 142 35.283 28.816 43.656 1.00 23.20 C -ATOM 2518 NZ LYS B 142 36.103 28.220 44.796 1.00 20.49 N -ATOM 2519 N ARG B 143 35.590 25.456 38.048 1.00 21.39 N -ATOM 2520 CA ARG B 143 35.280 24.548 36.939 1.00 23.34 C -ATOM 2521 C ARG B 143 34.119 23.647 37.405 1.00 23.22 C -ATOM 2522 O ARG B 143 34.231 23.038 38.470 1.00 23.38 O -ATOM 2523 CB ARG B 143 36.491 23.698 36.589 1.00 23.58 C -ATOM 2524 CG ARG B 143 36.174 22.510 35.691 1.00 28.86 C -ATOM 2525 CD ARG B 143 35.720 22.979 34.335 1.00 32.94 C -ATOM 2526 NE ARG B 143 36.570 23.720 33.523 1.00 38.55 N -ATOM 2527 CZ ARG B 143 37.812 23.975 33.385 1.00 34.57 C -ATOM 2528 NH1 ARG B 143 38.285 24.764 32.391 1.00 26.84 N -ATOM 2529 NH2 ARG B 143 38.648 23.463 34.306 1.00 45.84 N -ATOM 2530 N ALA B 144 33.038 23.602 36.653 1.00 23.35 N -ATOM 2531 CA ALA B 144 31.892 22.792 37.028 1.00 25.29 C -ATOM 2532 C ALA B 144 32.080 21.311 36.706 1.00 28.39 C -ATOM 2533 O ALA B 144 32.859 20.982 35.800 1.00 26.94 O -ATOM 2534 CB ALA B 144 30.667 23.292 36.225 1.00 25.95 C -ATOM 2535 N GLU B 145 31.390 20.447 37.427 1.00 25.53 N -ATOM 2536 CA GLU B 145 31.465 18.998 37.077 1.00 27.98 C -ATOM 2537 C GLU B 145 30.826 18.893 35.697 1.00 29.83 C -ATOM 2538 O GLU B 145 29.859 19.599 35.389 1.00 30.21 O -ATOM 2539 CB GLU B 145 30.642 18.198 38.099 1.00 32.49 C -ATOM 2540 CG GLU B 145 31.179 18.239 39.504 1.00 36.74 C -ATOM 2541 CD GLU B 145 30.302 17.552 40.534 1.00 41.65 C -ATOM 2542 OE1 GLU B 145 30.844 17.096 41.549 1.00 43.78 O -ATOM 2543 OE2 GLU B 145 29.069 17.462 40.322 1.00 45.26 O -ATOM 2544 N PRO B 146 31.267 17.971 34.850 1.00 32.75 N -ATOM 2545 CA PRO B 146 30.721 17.840 33.512 1.00 33.99 C -ATOM 2546 C PRO B 146 29.227 17.646 33.470 1.00 33.55 C -ATOM 2547 O PRO B 146 28.679 16.804 34.195 1.00 36.74 O -ATOM 2548 CB PRO B 146 31.452 16.599 32.955 1.00 35.23 C -ATOM 2549 CG PRO B 146 32.751 16.616 33.685 1.00 36.00 C -ATOM 2550 CD PRO B 146 32.369 17.016 35.119 1.00 33.60 C -ATOM 2551 N GLY B 147 28.514 18.525 32.778 1.00 34.30 N -ATOM 2552 CA GLY B 147 27.083 18.468 32.619 1.00 36.56 C -ATOM 2553 C GLY B 147 26.249 18.680 33.865 1.00 37.52 C -ATOM 2554 O GLY B 147 25.035 18.389 33.853 1.00 37.91 O -ATOM 2555 N LYS B 148 26.814 19.311 34.884 1.00 33.80 N -ATOM 2556 CA LYS B 148 26.112 19.563 36.156 1.00 32.76 C -ATOM 2557 C LYS B 148 26.475 20.971 36.645 1.00 31.37 C -ATOM 2558 O LYS B 148 27.585 21.414 36.330 1.00 32.86 O -ATOM 2559 CB LYS B 148 26.622 18.525 37.160 1.00 34.18 C -ATOM 2560 N ASN B 149 25.604 21.680 37.342 1.00 30.54 N -ATOM 2561 CA ASN B 149 25.973 23.013 37.828 1.00 30.52 C -ATOM 2562 C ASN B 149 26.425 22.920 39.310 1.00 31.02 C -ATOM 2563 O ASN B 149 25.759 23.437 40.202 1.00 28.76 O -ATOM 2564 CB ASN B 149 24.919 24.075 37.704 1.00 36.56 C -ATOM 2565 CG ASN B 149 24.525 24.336 36.253 1.00 38.57 C -ATOM 2566 OD1 ASN B 149 25.397 24.658 35.442 1.00 37.29 O -ATOM 2567 ND2 ASN B 149 23.244 24.164 35.979 1.00 40.85 N -ATOM 2568 N ALA B 150 27.416 22.102 39.511 1.00 28.82 N -ATOM 2569 CA ALA B 150 28.063 21.883 40.793 1.00 28.35 C -ATOM 2570 C ALA B 150 29.570 22.067 40.529 1.00 26.54 C -ATOM 2571 O ALA B 150 30.081 21.786 39.437 1.00 26.67 O -ATOM 2572 CB ALA B 150 27.795 20.565 41.435 1.00 27.37 C -ATOM 2573 N ILE B 151 30.236 22.626 41.505 1.00 23.20 N -ATOM 2574 CA ILE B 151 31.668 22.879 41.381 1.00 23.88 C -ATOM 2575 C ILE B 151 32.503 21.613 41.450 1.00 24.47 C -ATOM 2576 O ILE B 151 32.441 20.868 42.459 1.00 23.98 O -ATOM 2577 CB ILE B 151 32.114 23.823 42.538 1.00 21.18 C -ATOM 2578 CG1 ILE B 151 31.448 25.206 42.275 1.00 22.68 C -ATOM 2579 CG2 ILE B 151 33.622 23.999 42.551 1.00 24.76 C -ATOM 2580 CD1 ILE B 151 31.810 26.216 43.381 1.00 27.05 C -ATOM 2581 N ALA B 152 33.353 21.438 40.449 1.00 22.62 N -ATOM 2582 CA ALA B 152 34.347 20.356 40.469 1.00 25.52 C -ATOM 2583 C ALA B 152 35.562 20.819 41.243 1.00 26.40 C -ATOM 2584 O ALA B 152 35.898 20.268 42.306 1.00 26.92 O -ATOM 2585 CB ALA B 152 34.728 19.927 39.066 1.00 27.39 C -ATOM 2586 N HIS B 153 36.191 21.933 40.828 1.00 24.18 N -ATOM 2587 CA HIS B 153 37.341 22.465 41.509 1.00 24.92 C -ATOM 2588 C HIS B 153 37.599 23.943 41.165 1.00 25.22 C -ATOM 2589 O HIS B 153 37.028 24.438 40.206 1.00 24.65 O -ATOM 2590 CB HIS B 153 38.636 21.709 41.128 1.00 28.82 C -ATOM 2591 CG HIS B 153 38.762 21.484 39.640 1.00 27.86 C -ATOM 2592 ND1 HIS B 153 39.280 22.430 38.805 1.00 33.45 N -ATOM 2593 CD2 HIS B 153 38.496 20.378 38.889 1.00 24.30 C -ATOM 2594 CE1 HIS B 153 39.300 21.960 37.554 1.00 27.60 C -ATOM 2595 NE2 HIS B 153 38.801 20.730 37.569 1.00 28.52 N -ATOM 2596 N THR B 154 38.507 24.529 41.915 1.00 24.16 N -ATOM 2597 CA THR B 154 38.949 25.903 41.650 1.00 26.18 C -ATOM 2598 C THR B 154 39.965 25.856 40.508 1.00 27.33 C -ATOM 2599 O THR B 154 40.768 24.914 40.409 1.00 29.03 O -ATOM 2600 CB THR B 154 39.531 26.566 42.886 1.00 30.22 C -ATOM 2601 OG1 THR B 154 38.471 26.610 43.876 1.00 27.73 O -ATOM 2602 CG2 THR B 154 39.984 28.014 42.656 1.00 27.11 C -ATOM 2603 N VAL B 155 39.869 26.833 39.613 1.00 23.78 N -ATOM 2604 CA VAL B 155 40.854 26.856 38.499 1.00 27.06 C -ATOM 2605 C VAL B 155 41.972 27.815 38.903 1.00 26.51 C -ATOM 2606 O VAL B 155 41.687 28.943 39.270 1.00 31.59 O -ATOM 2607 CB VAL B 155 40.199 27.310 37.194 1.00 25.94 C -ATOM 2608 CG1 VAL B 155 41.289 27.505 36.098 1.00 27.28 C -ATOM 2609 CG2 VAL B 155 39.173 26.292 36.703 1.00 28.31 C -ATOM 2610 N ASP B 156 43.225 27.388 38.755 1.00 28.98 N -ATOM 2611 CA ASP B 156 44.350 28.274 39.093 1.00 28.70 C -ATOM 2612 C ASP B 156 44.281 29.521 38.198 1.00 29.19 C -ATOM 2613 O ASP B 156 44.360 29.335 36.963 1.00 29.80 O -ATOM 2614 CB ASP B 156 45.652 27.523 38.750 1.00 34.59 C -ATOM 2615 CG ASP B 156 46.899 28.303 39.093 1.00 37.07 C -ATOM 2616 OD1 ASP B 156 46.840 29.473 39.512 1.00 33.65 O -ATOM 2617 OD2 ASP B 156 47.998 27.710 38.942 1.00 46.11 O -ATOM 2618 N ARG B 157 44.309 30.710 38.746 1.00 28.75 N -ATOM 2619 CA ARG B 157 44.231 31.912 37.908 1.00 28.83 C -ATOM 2620 C ARG B 157 45.585 32.465 37.519 1.00 30.40 C -ATOM 2621 O ARG B 157 45.670 33.372 36.664 1.00 28.47 O -ATOM 2622 CB ARG B 157 43.366 32.983 38.536 1.00 32.91 C -ATOM 2623 CG ARG B 157 44.060 33.752 39.632 1.00 37.57 C -ATOM 2624 CD ARG B 157 43.086 34.632 40.404 1.00 41.65 C -ATOM 2625 NE ARG B 157 43.753 35.141 41.599 1.00 44.54 N -ATOM 2626 CZ ARG B 157 43.393 36.187 42.309 1.00 46.87 C -ATOM 2627 NH1 ARG B 157 42.336 36.906 41.966 1.00 50.63 N -ATOM 2628 NH2 ARG B 157 44.089 36.522 43.397 1.00 44.20 N -ATOM 2629 N ASN B 158 46.678 31.916 38.061 1.00 30.73 N -ATOM 2630 CA ASN B 158 48.008 32.410 37.662 1.00 31.35 C -ATOM 2631 C ASN B 158 48.283 32.114 36.181 1.00 28.35 C -ATOM 2632 O ASN B 158 48.193 30.985 35.715 1.00 26.63 O -ATOM 2633 CB ASN B 158 49.074 31.773 38.553 1.00 38.59 C -ATOM 2634 CG ASN B 158 49.048 32.325 39.965 1.00 46.40 C -ATOM 2635 OD1 ASN B 158 48.314 33.268 40.289 1.00 47.02 O -ATOM 2636 ND2 ASN B 158 49.839 31.723 40.859 1.00 49.25 N -ATOM 2637 N GLY B 159 48.650 33.149 35.434 1.00 28.38 N -ATOM 2638 CA GLY B 159 48.880 33.068 34.006 1.00 25.95 C -ATOM 2639 C GLY B 159 47.613 32.805 33.197 1.00 23.80 C -ATOM 2640 O GLY B 159 47.727 32.369 32.019 1.00 22.86 O -ATOM 2641 N LEU B 160 46.444 33.028 33.737 1.00 23.79 N -ATOM 2642 CA LEU B 160 45.162 32.803 33.023 1.00 23.89 C -ATOM 2643 C LEU B 160 44.669 34.156 32.523 1.00 22.86 C -ATOM 2644 O LEU B 160 44.637 35.174 33.251 1.00 22.79 O -ATOM 2645 CB LEU B 160 44.091 32.183 33.929 1.00 26.52 C -ATOM 2646 CG LEU B 160 42.796 31.708 33.218 1.00 24.73 C -ATOM 2647 CD1 LEU B 160 43.048 30.613 32.191 1.00 23.34 C -ATOM 2648 CD2 LEU B 160 41.784 31.208 34.275 1.00 24.32 C -ATOM 2649 N TRP B 161 44.348 34.205 31.215 1.00 24.31 N -ATOM 2650 CA TRP B 161 43.922 35.442 30.593 1.00 20.27 C -ATOM 2651 C TRP B 161 42.648 35.336 29.757 1.00 19.76 C -ATOM 2652 O TRP B 161 42.374 34.288 29.164 1.00 21.60 O -ATOM 2653 CB TRP B 161 45.012 35.822 29.530 1.00 24.41 C -ATOM 2654 CG TRP B 161 46.326 36.203 30.141 1.00 24.32 C -ATOM 2655 CD1 TRP B 161 47.254 35.397 30.693 1.00 23.74 C -ATOM 2656 CD2 TRP B 161 46.871 37.528 30.159 1.00 26.29 C -ATOM 2657 NE1 TRP B 161 48.342 36.139 31.124 1.00 24.50 N -ATOM 2658 CE2 TRP B 161 48.137 37.448 30.771 1.00 28.53 C -ATOM 2659 CE3 TRP B 161 46.425 38.766 29.691 1.00 23.52 C -ATOM 2660 CZ2 TRP B 161 48.944 38.566 30.958 1.00 31.61 C -ATOM 2661 CZ3 TRP B 161 47.221 39.876 29.864 1.00 28.91 C -ATOM 2662 CH2 TRP B 161 48.475 39.775 30.521 1.00 32.50 C -ATOM 2663 N HIS B 162 41.886 36.423 29.718 1.00 19.29 N -ATOM 2664 CA HIS B 162 40.723 36.449 28.816 1.00 21.26 C -ATOM 2665 C HIS B 162 41.243 36.821 27.403 1.00 21.40 C -ATOM 2666 O HIS B 162 41.898 37.853 27.307 1.00 21.60 O -ATOM 2667 CB HIS B 162 39.845 37.630 29.219 1.00 22.91 C -ATOM 2668 CG HIS B 162 39.027 37.378 30.457 1.00 23.22 C -ATOM 2669 ND1 HIS B 162 37.686 37.132 30.412 1.00 25.43 N -ATOM 2670 CD2 HIS B 162 39.427 37.306 31.761 1.00 24.74 C -ATOM 2671 CE1 HIS B 162 37.239 36.935 31.657 1.00 26.99 C -ATOM 2672 NE2 HIS B 162 38.286 37.043 32.481 1.00 24.19 N -ATOM 2673 N ALA B 163 40.933 36.044 26.383 1.00 21.20 N -ATOM 2674 CA ALA B 163 41.363 36.523 25.037 1.00 19.59 C -ATOM 2675 C ALA B 163 40.353 37.584 24.589 1.00 18.93 C -ATOM 2676 O ALA B 163 39.158 37.313 24.679 1.00 22.71 O -ATOM 2677 CB ALA B 163 41.217 35.364 24.064 1.00 19.96 C -ATOM 2678 N LEU B 164 40.815 38.741 24.193 1.00 17.96 N -ATOM 2679 CA LEU B 164 39.910 39.789 23.650 1.00 19.21 C -ATOM 2680 C LEU B 164 40.191 39.914 22.157 1.00 18.86 C -ATOM 2681 O LEU B 164 40.804 39.029 21.556 1.00 18.72 O -ATOM 2682 CB LEU B 164 40.233 41.122 24.345 1.00 16.80 C -ATOM 2683 CG LEU B 164 40.292 40.953 25.913 1.00 17.53 C -ATOM 2684 CD1 LEU B 164 40.719 42.292 26.514 1.00 19.92 C -ATOM 2685 CD2 LEU B 164 38.932 40.517 26.388 1.00 20.29 C -ATOM 2686 N THR B 165 39.710 40.978 21.510 1.00 17.64 N -ATOM 2687 CA THR B 165 40.084 41.196 20.097 1.00 17.07 C -ATOM 2688 C THR B 165 40.311 42.711 20.031 1.00 16.73 C -ATOM 2689 O THR B 165 39.789 43.470 20.876 1.00 19.77 O -ATOM 2690 CB THR B 165 39.019 40.744 19.094 1.00 17.54 C -ATOM 2691 OG1 THR B 165 37.896 41.643 19.075 1.00 18.38 O -ATOM 2692 CG2 THR B 165 38.470 39.355 19.398 1.00 19.68 C -ATOM 2693 N PRO B 166 41.013 43.204 19.014 1.00 16.31 N -ATOM 2694 CA PRO B 166 41.497 42.437 17.934 1.00 18.04 C -ATOM 2695 C PRO B 166 42.570 41.413 18.165 1.00 21.32 C -ATOM 2696 O PRO B 166 43.225 41.358 19.206 1.00 20.13 O -ATOM 2697 CB PRO B 166 42.071 43.513 16.944 1.00 18.99 C -ATOM 2698 CG PRO B 166 41.361 44.770 17.314 1.00 18.24 C -ATOM 2699 CD PRO B 166 41.186 44.681 18.844 1.00 17.89 C -ATOM 2700 N GLN B 167 42.726 40.556 17.140 1.00 17.19 N -ATOM 2701 CA GLN B 167 43.745 39.508 17.096 1.00 21.20 C -ATOM 2702 C GLN B 167 44.533 39.855 15.785 1.00 22.22 C -ATOM 2703 O GLN B 167 43.926 40.018 14.729 1.00 21.57 O -ATOM 2704 CB GLN B 167 43.148 38.131 17.115 1.00 19.04 C -ATOM 2705 CG GLN B 167 42.220 37.984 18.370 1.00 18.09 C -ATOM 2706 CD GLN B 167 42.053 36.570 18.831 1.00 18.73 C -ATOM 2707 OE1 GLN B 167 42.406 35.636 18.150 1.00 18.50 O -ATOM 2708 NE2 GLN B 167 41.563 36.404 20.087 1.00 16.73 N -ATOM 2709 N PHE B 168 45.828 40.044 15.981 1.00 19.76 N -ATOM 2710 CA PHE B 168 46.656 40.615 14.888 1.00 19.53 C -ATOM 2711 C PHE B 168 47.748 39.672 14.441 1.00 21.57 C -ATOM 2712 O PHE B 168 48.556 39.242 15.256 1.00 20.81 O -ATOM 2713 CB PHE B 168 47.226 41.902 15.452 1.00 18.29 C -ATOM 2714 CG PHE B 168 48.030 42.752 14.501 1.00 19.63 C -ATOM 2715 CD1 PHE B 168 49.320 43.131 14.877 1.00 24.50 C -ATOM 2716 CD2 PHE B 168 47.504 43.233 13.330 1.00 20.67 C -ATOM 2717 CE1 PHE B 168 50.052 43.974 14.037 1.00 22.18 C -ATOM 2718 CE2 PHE B 168 48.235 44.035 12.472 1.00 22.05 C -ATOM 2719 CZ PHE B 168 49.503 44.420 12.852 1.00 21.47 C -ATOM 2720 N PHE B 169 47.709 39.307 13.144 1.00 20.67 N -ATOM 2721 CA PHE B 169 48.678 38.301 12.671 1.00 20.14 C -ATOM 2722 C PHE B 169 49.112 38.606 11.236 1.00 21.97 C -ATOM 2723 O PHE B 169 48.397 39.243 10.444 1.00 22.29 O -ATOM 2724 CB PHE B 169 47.920 36.946 12.537 1.00 22.45 C -ATOM 2725 CG PHE B 169 47.259 36.484 13.802 1.00 20.89 C -ATOM 2726 CD1 PHE B 169 45.889 36.586 13.972 1.00 24.79 C -ATOM 2727 CD2 PHE B 169 48.043 35.991 14.839 1.00 23.92 C -ATOM 2728 CE1 PHE B 169 45.305 36.194 15.167 1.00 26.16 C -ATOM 2729 CE2 PHE B 169 47.455 35.610 16.023 1.00 29.32 C -ATOM 2730 CZ PHE B 169 46.088 35.716 16.209 1.00 23.35 C -ATOM 2731 N PRO B 170 50.246 38.039 10.862 1.00 23.63 N -ATOM 2732 CA PRO B 170 50.676 38.116 9.459 1.00 24.48 C -ATOM 2733 C PRO B 170 49.581 37.437 8.614 1.00 23.89 C -ATOM 2734 O PRO B 170 49.088 36.366 8.894 1.00 25.11 O -ATOM 2735 CB PRO B 170 51.973 37.329 9.423 1.00 25.00 C -ATOM 2736 CG PRO B 170 52.477 37.405 10.826 1.00 25.74 C -ATOM 2737 CD PRO B 170 51.194 37.240 11.673 1.00 23.15 C -ATOM 2738 N ARG B 171 49.259 38.082 7.488 1.00 24.06 N -ATOM 2739 CA ARG B 171 48.198 37.651 6.603 1.00 23.74 C -ATOM 2740 C ARG B 171 48.310 36.249 6.075 1.00 24.96 C -ATOM 2741 O ARG B 171 47.372 35.439 6.184 1.00 25.17 O -ATOM 2742 CB ARG B 171 48.134 38.651 5.410 1.00 20.90 C -ATOM 2743 CG ARG B 171 46.960 38.282 4.492 1.00 28.00 C -ATOM 2744 CD ARG B 171 46.836 39.370 3.441 1.00 26.64 C -ATOM 2745 NE ARG B 171 45.994 38.930 2.332 1.00 29.31 N -ATOM 2746 CZ ARG B 171 45.792 39.797 1.297 1.00 29.57 C -ATOM 2747 NH1 ARG B 171 45.016 39.417 0.316 1.00 26.31 N -ATOM 2748 NH2 ARG B 171 46.362 40.991 1.358 1.00 31.47 N -ATOM 2749 N GLU B 172 49.468 35.890 5.536 1.00 26.86 N -ATOM 2750 CA GLU B 172 49.653 34.554 4.977 1.00 27.11 C -ATOM 2751 C GLU B 172 49.644 33.496 6.058 1.00 25.57 C -ATOM 2752 O GLU B 172 49.052 32.420 5.884 1.00 27.29 O -ATOM 2753 CB GLU B 172 50.947 34.536 4.135 1.00 36.94 C -ATOM 2754 CG GLU B 172 51.202 33.207 3.466 1.00 45.89 C -ATOM 2755 CD GLU B 172 52.288 33.230 2.408 1.00 49.45 C -ATOM 2756 OE1 GLU B 172 53.412 33.696 2.684 1.00 49.91 O -ATOM 2757 OE2 GLU B 172 51.998 32.753 1.283 1.00 53.08 O -ATOM 2758 N LEU B 173 50.314 33.786 7.178 1.00 25.52 N -ATOM 2759 CA LEU B 173 50.319 32.848 8.300 1.00 25.94 C -ATOM 2760 C LEU B 173 48.888 32.610 8.758 1.00 25.58 C -ATOM 2761 O LEU B 173 48.425 31.466 8.900 1.00 24.19 O -ATOM 2762 CB LEU B 173 51.178 33.385 9.452 1.00 30.65 C -ATOM 2763 CG LEU B 173 51.304 32.521 10.706 1.00 28.09 C -ATOM 2764 CD1 LEU B 173 51.997 31.193 10.360 1.00 34.86 C -ATOM 2765 CD2 LEU B 173 52.044 33.216 11.828 1.00 31.12 C -ATOM 2766 N LEU B 174 48.133 33.713 8.901 1.00 24.25 N -ATOM 2767 CA LEU B 174 46.749 33.504 9.360 1.00 25.71 C -ATOM 2768 C LEU B 174 45.972 32.663 8.358 1.00 22.63 C -ATOM 2769 O LEU B 174 45.189 31.779 8.697 1.00 24.63 O -ATOM 2770 CB LEU B 174 46.046 34.856 9.558 1.00 23.96 C -ATOM 2771 CG LEU B 174 44.575 34.753 9.960 1.00 23.24 C -ATOM 2772 CD1 LEU B 174 44.436 34.077 11.319 1.00 25.01 C -ATOM 2773 CD2 LEU B 174 44.007 36.189 10.070 1.00 23.00 C -ATOM 2774 N HIS B 175 46.068 33.048 7.073 1.00 22.79 N -ATOM 2775 CA HIS B 175 45.376 32.310 6.040 1.00 23.20 C -ATOM 2776 C HIS B 175 45.684 30.813 6.080 1.00 24.12 C -ATOM 2777 O HIS B 175 44.808 29.955 5.999 1.00 23.74 O -ATOM 2778 CB HIS B 175 45.800 32.868 4.669 1.00 23.45 C -ATOM 2779 CG HIS B 175 45.352 32.014 3.516 1.00 28.18 C -ATOM 2780 ND1 HIS B 175 46.044 30.874 3.152 1.00 28.03 N -ATOM 2781 CD2 HIS B 175 44.295 32.108 2.690 1.00 26.43 C -ATOM 2782 CE1 HIS B 175 45.422 30.289 2.146 1.00 30.43 C -ATOM 2783 NE2 HIS B 175 44.354 31.020 1.834 1.00 25.87 N -ATOM 2784 N ASP B 176 46.966 30.503 6.076 1.00 23.41 N -ATOM 2785 CA ASP B 176 47.412 29.110 5.998 1.00 26.12 C -ATOM 2786 C ASP B 176 46.958 28.281 7.181 1.00 27.30 C -ATOM 2787 O ASP B 176 46.493 27.151 7.061 1.00 27.59 O -ATOM 2788 CB ASP B 176 48.915 29.059 5.843 1.00 29.00 C -ATOM 2789 CG ASP B 176 49.407 29.610 4.523 1.00 29.45 C -ATOM 2790 OD1 ASP B 176 48.575 29.905 3.644 1.00 31.51 O -ATOM 2791 OD2 ASP B 176 50.654 29.769 4.404 1.00 32.98 O -ATOM 2792 N CYS B 177 47.072 28.929 8.351 1.00 28.26 N -ATOM 2793 CA CYS B 177 46.673 28.247 9.546 1.00 28.12 C -ATOM 2794 C CYS B 177 45.184 28.025 9.657 1.00 28.73 C -ATOM 2795 O CYS B 177 44.698 26.956 10.061 1.00 29.34 O -ATOM 2796 CB CYS B 177 47.193 29.041 10.753 1.00 30.02 C -ATOM 2797 SG ACYS B 177 48.936 28.945 11.122 0.65 26.98 S -ATOM 2798 SG BCYS B 177 46.439 28.285 12.154 0.35 27.47 S -ATOM 2799 N LEU B 178 44.361 29.045 9.289 1.00 26.02 N -ATOM 2800 CA LEU B 178 42.917 28.818 9.316 1.00 23.12 C -ATOM 2801 C LEU B 178 42.512 27.751 8.302 1.00 23.57 C -ATOM 2802 O LEU B 178 41.647 26.890 8.549 1.00 25.87 O -ATOM 2803 CB LEU B 178 42.155 30.117 8.952 1.00 21.00 C -ATOM 2804 CG LEU B 178 42.135 31.161 10.064 1.00 24.45 C -ATOM 2805 CD1 LEU B 178 41.544 32.449 9.489 1.00 23.01 C -ATOM 2806 CD2 LEU B 178 41.335 30.668 11.256 1.00 26.05 C -ATOM 2807 N THR B 179 43.178 27.729 7.167 1.00 24.80 N -ATOM 2808 CA THR B 179 42.895 26.707 6.143 1.00 23.81 C -ATOM 2809 C THR B 179 43.269 25.312 6.682 1.00 25.04 C -ATOM 2810 O THR B 179 42.498 24.376 6.475 1.00 27.84 O -ATOM 2811 CB THR B 179 43.666 27.016 4.868 1.00 28.28 C -ATOM 2812 OG1 THR B 179 43.278 28.369 4.423 1.00 24.91 O -ATOM 2813 CG2 THR B 179 43.416 26.014 3.766 1.00 30.07 C -ATOM 2814 N ARG B 180 44.444 25.153 7.256 1.00 26.93 N -ATOM 2815 CA ARG B 180 44.823 23.836 7.830 1.00 28.75 C -ATOM 2816 C ARG B 180 43.779 23.407 8.877 1.00 30.52 C -ATOM 2817 O ARG B 180 43.304 22.271 8.899 1.00 31.83 O -ATOM 2818 CB ARG B 180 46.163 23.959 8.551 1.00 34.37 C -ATOM 2819 CG ARG B 180 47.413 23.731 7.751 1.00 40.31 C -ATOM 2820 CD ARG B 180 48.588 23.308 8.629 1.00 43.54 C -ATOM 2821 NE ARG B 180 48.304 22.114 9.417 1.00 45.48 N -ATOM 2822 CZ ARG B 180 48.997 21.748 10.502 1.00 44.55 C -ATOM 2823 NH1 ARG B 180 48.669 20.637 11.158 1.00 41.53 N -ATOM 2824 NH2 ARG B 180 50.005 22.494 10.925 1.00 46.15 N -ATOM 2825 N ALA B 181 43.423 24.340 9.775 1.00 29.25 N -ATOM 2826 CA ALA B 181 42.448 24.055 10.814 1.00 33.19 C -ATOM 2827 C ALA B 181 41.155 23.512 10.254 1.00 34.68 C -ATOM 2828 O ALA B 181 40.608 22.517 10.774 1.00 37.49 O -ATOM 2829 CB ALA B 181 42.230 25.244 11.731 1.00 30.76 C -ATOM 2830 N LEU B 182 40.627 24.144 9.204 1.00 35.12 N -ATOM 2831 CA LEU B 182 39.410 23.683 8.570 1.00 37.24 C -ATOM 2832 C LEU B 182 39.604 22.354 7.847 1.00 37.40 C -ATOM 2833 O LEU B 182 38.807 21.437 8.056 1.00 39.95 O -ATOM 2834 CB LEU B 182 38.877 24.709 7.556 1.00 36.73 C -ATOM 2835 CG LEU B 182 38.248 25.956 8.165 1.00 35.24 C -ATOM 2836 CD1 LEU B 182 38.102 27.045 7.100 1.00 35.26 C -ATOM 2837 CD2 LEU B 182 36.908 25.614 8.820 1.00 36.21 C -ATOM 2838 N ASN B 183 40.657 22.229 7.049 1.00 36.56 N -ATOM 2839 CA ASN B 183 40.927 21.021 6.292 1.00 36.89 C -ATOM 2840 C ASN B 183 41.128 19.792 7.190 1.00 38.90 C -ATOM 2841 O ASN B 183 40.875 18.662 6.752 1.00 40.47 O -ATOM 2842 CB ASN B 183 42.171 21.193 5.412 1.00 40.22 C -ATOM 2843 CG ASN B 183 41.975 22.183 4.285 1.00 43.27 C -ATOM 2844 OD1 ASN B 183 40.838 22.539 3.963 1.00 49.70 O -ATOM 2845 ND2 ASN B 183 43.056 22.623 3.657 1.00 44.86 N -ATOM 2846 N GLU B 184 41.583 19.997 8.411 1.00 37.98 N -ATOM 2847 CA GLU B 184 41.811 18.858 9.304 1.00 41.84 C -ATOM 2848 C GLU B 184 40.719 18.704 10.331 1.00 42.48 C -ATOM 2849 O GLU B 184 40.857 17.910 11.271 1.00 45.16 O -ATOM 2850 CB GLU B 184 43.183 19.016 9.948 1.00 39.60 C -ATOM 2851 CG GLU B 184 44.296 19.009 8.902 1.00 35.82 C -ATOM 2852 CD GLU B 184 45.589 19.544 9.453 1.00 33.71 C -ATOM 2853 OE1 GLU B 184 46.410 20.023 8.649 1.00 37.30 O -ATOM 2854 OE2 GLU B 184 45.821 19.486 10.679 1.00 40.18 O -ATOM 2855 N GLY B 185 39.642 19.458 10.192 1.00 43.86 N -ATOM 2856 CA GLY B 185 38.506 19.427 11.080 1.00 45.07 C -ATOM 2857 C GLY B 185 38.855 19.688 12.526 1.00 45.84 C -ATOM 2858 O GLY B 185 38.374 19.005 13.445 1.00 47.53 O -ATOM 2859 N ALA B 186 39.707 20.666 12.785 1.00 44.53 N -ATOM 2860 CA ALA B 186 40.120 21.039 14.120 1.00 42.23 C -ATOM 2861 C ALA B 186 39.037 21.929 14.750 1.00 43.00 C -ATOM 2862 O ALA B 186 38.358 22.684 14.035 1.00 41.27 O -ATOM 2863 CB ALA B 186 41.427 21.807 14.100 1.00 43.71 C -ATOM 2864 N THR B 187 38.833 21.756 16.038 1.00 40.96 N -ATOM 2865 CA THR B 187 37.806 22.582 16.713 1.00 40.66 C -ATOM 2866 C THR B 187 38.500 23.819 17.251 1.00 39.81 C -ATOM 2867 O THR B 187 39.418 23.720 18.059 1.00 42.96 O -ATOM 2868 CB THR B 187 37.041 21.799 17.762 1.00 47.49 C -ATOM 2869 OG1 THR B 187 36.640 22.643 18.859 1.00 48.61 O -ATOM 2870 CG2 THR B 187 37.852 20.625 18.289 1.00 46.19 C -ATOM 2871 N ILE B 188 38.181 24.972 16.674 1.00 35.63 N -ATOM 2872 CA ILE B 188 38.788 26.238 17.049 1.00 33.57 C -ATOM 2873 C ILE B 188 37.775 27.256 17.551 1.00 27.33 C -ATOM 2874 O ILE B 188 36.571 27.143 17.278 1.00 28.64 O -ATOM 2875 CB ILE B 188 39.511 26.864 15.835 1.00 32.70 C -ATOM 2876 CG1 ILE B 188 38.585 26.832 14.618 1.00 37.94 C -ATOM 2877 CG2 ILE B 188 40.804 26.101 15.551 1.00 36.08 C -ATOM 2878 CD1 ILE B 188 39.140 27.602 13.421 1.00 41.27 C -ATOM 2879 N THR B 189 38.250 28.281 18.207 1.00 27.35 N -ATOM 2880 CA THR B 189 37.346 29.343 18.740 1.00 26.13 C -ATOM 2881 C THR B 189 37.792 30.675 18.154 1.00 26.24 C -ATOM 2882 O THR B 189 37.235 31.151 17.147 1.00 27.50 O -ATOM 2883 CB THR B 189 37.417 29.387 20.273 1.00 27.91 C -ATOM 2884 OG1 THR B 189 38.809 29.311 20.660 1.00 26.23 O -ATOM 2885 CG2 THR B 189 36.675 28.183 20.865 1.00 35.75 C -ATOM 2886 N ASP B 190 38.857 31.262 18.694 1.00 22.91 N -ATOM 2887 CA ASP B 190 39.323 32.529 18.116 1.00 20.68 C -ATOM 2888 C ASP B 190 40.440 32.256 17.113 1.00 21.05 C -ATOM 2889 O ASP B 190 40.798 31.087 16.867 1.00 20.81 O -ATOM 2890 CB ASP B 190 39.767 33.478 19.215 1.00 20.10 C -ATOM 2891 CG ASP B 190 40.908 32.956 20.078 1.00 20.77 C -ATOM 2892 OD1 ASP B 190 41.389 31.841 19.857 1.00 20.30 O -ATOM 2893 OD2 ASP B 190 41.296 33.721 20.976 1.00 21.46 O -ATOM 2894 N GLU B 191 40.923 33.331 16.492 1.00 19.59 N -ATOM 2895 CA GLU B 191 41.998 33.173 15.490 1.00 21.53 C -ATOM 2896 C GLU B 191 43.267 32.697 16.173 1.00 23.12 C -ATOM 2897 O GLU B 191 44.019 31.894 15.620 1.00 23.35 O -ATOM 2898 CB GLU B 191 42.247 34.495 14.748 1.00 19.22 C -ATOM 2899 CG GLU B 191 41.133 34.846 13.758 1.00 19.39 C -ATOM 2900 CD GLU B 191 39.850 35.243 14.469 1.00 21.22 C -ATOM 2901 OE1 GLU B 191 39.912 35.938 15.504 1.00 25.80 O -ATOM 2902 OE2 GLU B 191 38.792 34.807 14.004 1.00 23.14 O -ATOM 2903 N ALA B 192 43.481 33.138 17.440 1.00 21.39 N -ATOM 2904 CA ALA B 192 44.704 32.642 18.110 1.00 21.04 C -ATOM 2905 C ALA B 192 44.668 31.132 18.243 1.00 21.62 C -ATOM 2906 O ALA B 192 45.749 30.494 18.114 1.00 23.97 O -ATOM 2907 CB ALA B 192 44.809 33.305 19.468 1.00 17.59 C -ATOM 2908 N SER B 193 43.506 30.541 18.471 1.00 19.90 N -ATOM 2909 CA SER B 193 43.374 29.083 18.632 1.00 23.09 C -ATOM 2910 C SER B 193 43.780 28.349 17.361 1.00 26.49 C -ATOM 2911 O SER B 193 44.320 27.226 17.411 1.00 22.41 O -ATOM 2912 CB SER B 193 42.010 28.653 19.122 1.00 26.76 C -ATOM 2913 OG SER B 193 41.004 28.757 18.096 1.00 25.70 O -ATOM 2914 N ALA B 194 43.514 28.961 16.212 1.00 24.82 N -ATOM 2915 CA ALA B 194 43.978 28.368 14.960 1.00 27.43 C -ATOM 2916 C ALA B 194 45.508 28.416 14.980 1.00 27.04 C -ATOM 2917 O ALA B 194 46.129 27.406 14.516 1.00 27.31 O -ATOM 2918 CB ALA B 194 43.419 29.172 13.779 1.00 25.45 C -ATOM 2919 N LEU B 195 46.138 29.527 15.299 1.00 24.81 N -ATOM 2920 CA LEU B 195 47.613 29.622 15.300 1.00 26.06 C -ATOM 2921 C LEU B 195 48.196 28.587 16.252 1.00 27.78 C -ATOM 2922 O LEU B 195 49.241 27.937 15.982 1.00 29.41 O -ATOM 2923 CB LEU B 195 48.127 30.993 15.629 1.00 25.57 C -ATOM 2924 CG LEU B 195 48.384 32.036 14.544 1.00 31.79 C -ATOM 2925 CD1 LEU B 195 49.557 31.648 13.679 1.00 34.20 C -ATOM 2926 CD2 LEU B 195 47.138 32.265 13.684 1.00 27.31 C -ATOM 2927 N GLU B 196 47.568 28.475 17.410 1.00 25.78 N -ATOM 2928 CA GLU B 196 47.987 27.501 18.418 1.00 26.39 C -ATOM 2929 C GLU B 196 47.896 26.104 17.839 1.00 27.44 C -ATOM 2930 O GLU B 196 48.876 25.357 17.964 1.00 26.27 O -ATOM 2931 CB GLU B 196 47.068 27.605 19.656 1.00 27.02 C -ATOM 2932 CG GLU B 196 47.221 28.942 20.376 1.00 25.65 C -ATOM 2933 CD GLU B 196 45.975 29.264 21.213 1.00 25.99 C -ATOM 2934 OE1 GLU B 196 45.356 28.326 21.723 1.00 25.91 O -ATOM 2935 OE2 GLU B 196 45.636 30.456 21.297 1.00 25.43 O -ATOM 2936 N TYR B 197 46.797 25.763 17.165 1.00 26.73 N -ATOM 2937 CA TYR B 197 46.628 24.475 16.520 1.00 28.41 C -ATOM 2938 C TYR B 197 47.770 24.171 15.567 1.00 31.32 C -ATOM 2939 O TYR B 197 48.186 22.982 15.457 1.00 30.51 O -ATOM 2940 CB TYR B 197 45.324 24.352 15.725 1.00 28.75 C -ATOM 2941 CG TYR B 197 45.189 23.040 14.973 1.00 30.20 C -ATOM 2942 CD1 TYR B 197 45.380 22.988 13.598 1.00 27.55 C -ATOM 2943 CD2 TYR B 197 44.936 21.849 15.658 1.00 32.93 C -ATOM 2944 CE1 TYR B 197 45.272 21.792 12.908 1.00 28.62 C -ATOM 2945 CE2 TYR B 197 44.842 20.648 14.959 1.00 33.00 C -ATOM 2946 CZ TYR B 197 45.042 20.625 13.610 1.00 32.12 C -ATOM 2947 OH TYR B 197 44.934 19.441 12.897 1.00 33.43 O -ATOM 2948 N CYS B 198 48.273 25.170 14.879 1.00 31.58 N -ATOM 2949 CA CYS B 198 49.377 25.032 13.946 1.00 33.09 C -ATOM 2950 C CYS B 198 50.743 25.030 14.570 1.00 33.85 C -ATOM 2951 O CYS B 198 51.750 24.974 13.851 1.00 31.95 O -ATOM 2952 CB CYS B 198 49.244 26.096 12.833 1.00 38.89 C -ATOM 2953 SG CYS B 198 47.686 25.731 11.943 1.00 37.37 S -ATOM 2954 N GLY B 199 50.817 25.109 15.899 1.00 30.75 N -ATOM 2955 CA GLY B 199 52.078 25.038 16.615 1.00 31.41 C -ATOM 2956 C GLY B 199 52.676 26.314 17.034 1.00 31.51 C -ATOM 2957 O GLY B 199 53.815 26.381 17.538 1.00 35.04 O -ATOM 2958 N PHE B 200 51.926 27.442 16.923 1.00 26.45 N -ATOM 2959 CA PHE B 200 52.482 28.734 17.294 1.00 25.45 C -ATOM 2960 C PHE B 200 52.020 29.249 18.644 1.00 25.08 C -ATOM 2961 O PHE B 200 51.084 28.713 19.239 1.00 24.53 O -ATOM 2962 CB PHE B 200 52.115 29.760 16.177 1.00 28.40 C -ATOM 2963 CG PHE B 200 52.746 29.364 14.854 1.00 31.10 C -ATOM 2964 CD1 PHE B 200 54.088 29.531 14.635 1.00 33.82 C -ATOM 2965 CD2 PHE B 200 51.949 28.831 13.853 1.00 33.66 C -ATOM 2966 CE1 PHE B 200 54.661 29.175 13.412 1.00 32.75 C -ATOM 2967 CE2 PHE B 200 52.501 28.493 12.632 1.00 35.54 C -ATOM 2968 CZ PHE B 200 53.856 28.681 12.431 1.00 32.72 C -ATOM 2969 N HIS B 201 52.665 30.288 19.171 1.00 26.79 N -ATOM 2970 CA HIS B 201 52.348 30.853 20.484 1.00 27.68 C -ATOM 2971 C HIS B 201 52.242 32.338 20.455 1.00 27.61 C -ATOM 2972 O HIS B 201 53.160 33.102 20.808 1.00 27.28 O -ATOM 2973 CB HIS B 201 53.525 30.430 21.464 1.00 27.41 C -ATOM 2974 CG HIS B 201 53.465 28.940 21.674 1.00 29.45 C -ATOM 2975 ND1 HIS B 201 54.279 28.092 20.911 1.00 35.96 N -ATOM 2976 CD2 HIS B 201 52.705 28.137 22.423 1.00 22.89 C -ATOM 2977 CE1 HIS B 201 54.000 26.838 21.239 1.00 29.02 C -ATOM 2978 NE2 HIS B 201 53.071 26.832 22.152 1.00 32.79 N -ATOM 2979 N PRO B 202 51.094 32.876 19.975 1.00 26.48 N -ATOM 2980 CA PRO B 202 50.916 34.301 19.861 1.00 27.43 C -ATOM 2981 C PRO B 202 51.103 35.084 21.131 1.00 27.40 C -ATOM 2982 O PRO B 202 50.789 34.638 22.238 1.00 27.08 O -ATOM 2983 CB PRO B 202 49.504 34.443 19.290 1.00 25.66 C -ATOM 2984 CG PRO B 202 49.179 33.124 18.683 1.00 27.20 C -ATOM 2985 CD PRO B 202 49.936 32.092 19.525 1.00 26.74 C -ATOM 2986 N GLN B 203 51.548 36.327 21.035 1.00 28.06 N -ATOM 2987 CA GLN B 203 51.770 37.181 22.182 1.00 27.20 C -ATOM 2988 C GLN B 203 50.463 37.631 22.831 1.00 29.38 C -ATOM 2989 O GLN B 203 49.417 37.750 22.178 1.00 27.60 O -ATOM 2990 CB GLN B 203 52.509 38.469 21.736 1.00 34.62 C -ATOM 2991 CG GLN B 203 53.954 38.251 21.321 1.00 40.01 C -ATOM 2992 CD GLN B 203 54.773 37.782 22.524 1.00 45.72 C -ATOM 2993 OE1 GLN B 203 54.830 38.507 23.517 1.00 47.15 O -ATOM 2994 NE2 GLN B 203 55.293 36.567 22.432 1.00 49.28 N -ATOM 2995 N LEU B 204 50.539 37.818 24.153 1.00 26.21 N -ATOM 2996 CA LEU B 204 49.424 38.364 24.907 1.00 24.70 C -ATOM 2997 C LEU B 204 49.733 39.845 25.157 1.00 27.12 C -ATOM 2998 O LEU B 204 50.804 40.171 25.715 1.00 27.91 O -ATOM 2999 CB LEU B 204 49.198 37.645 26.220 1.00 24.96 C -ATOM 3000 CG LEU B 204 48.829 36.164 26.099 1.00 27.42 C -ATOM 3001 CD1 LEU B 204 49.160 35.464 27.422 1.00 28.99 C -ATOM 3002 CD2 LEU B 204 47.357 36.001 25.786 1.00 24.90 C -ATOM 3003 N VAL B 205 48.974 40.728 24.543 1.00 22.22 N -ATOM 3004 CA VAL B 205 49.189 42.170 24.751 1.00 23.36 C -ATOM 3005 C VAL B 205 48.091 42.606 25.712 1.00 24.48 C -ATOM 3006 O VAL B 205 46.908 42.504 25.425 1.00 23.20 O -ATOM 3007 CB VAL B 205 49.121 42.989 23.464 1.00 23.02 C -ATOM 3008 CG1 VAL B 205 49.291 44.462 23.724 1.00 25.29 C -ATOM 3009 CG2 VAL B 205 50.185 42.479 22.471 1.00 24.95 C -ATOM 3010 N GLU B 206 48.520 43.040 26.914 1.00 23.25 N -ATOM 3011 CA GLU B 206 47.484 43.404 27.883 1.00 21.95 C -ATOM 3012 C GLU B 206 46.687 44.617 27.461 1.00 24.23 C -ATOM 3013 O GLU B 206 47.216 45.674 27.097 1.00 26.51 O -ATOM 3014 CB GLU B 206 48.075 43.640 29.284 1.00 27.61 C -ATOM 3015 CG GLU B 206 46.942 43.979 30.267 1.00 27.86 C -ATOM 3016 CD GLU B 206 47.446 43.980 31.714 1.00 34.04 C -ATOM 3017 OE1 GLU B 206 46.622 44.291 32.581 1.00 32.66 O -ATOM 3018 OE2 GLU B 206 48.642 43.706 31.931 1.00 32.92 O -ATOM 3019 N GLY B 207 45.353 44.457 27.459 1.00 22.13 N -ATOM 3020 CA GLY B 207 44.448 45.503 27.084 1.00 25.60 C -ATOM 3021 C GLY B 207 43.455 45.784 28.190 1.00 24.49 C -ATOM 3022 O GLY B 207 43.434 45.017 29.188 1.00 27.11 O -ATOM 3023 N ARG B 208 42.684 46.840 28.057 1.00 24.40 N -ATOM 3024 CA ARG B 208 41.700 47.191 29.066 1.00 23.76 C -ATOM 3025 C ARG B 208 40.621 46.111 29.172 1.00 27.02 C -ATOM 3026 O ARG B 208 40.125 45.606 28.201 1.00 24.97 O -ATOM 3027 CB ARG B 208 41.027 48.510 28.753 1.00 27.10 C -ATOM 3028 CG ARG B 208 41.950 49.705 28.628 1.00 25.67 C -ATOM 3029 CD ARG B 208 41.243 50.800 27.832 1.00 33.79 C -ATOM 3030 NE ARG B 208 40.029 51.258 28.535 1.00 33.51 N -ATOM 3031 CZ ARG B 208 40.031 52.460 29.138 1.00 41.99 C -ATOM 3032 NH1 ARG B 208 38.960 52.910 29.766 1.00 42.30 N -ATOM 3033 NH2 ARG B 208 41.147 53.192 29.099 1.00 43.59 N -ATOM 3034 N ALA B 209 40.215 45.812 30.433 1.00 24.03 N -ATOM 3035 CA ALA B 209 39.167 44.828 30.647 1.00 24.53 C -ATOM 3036 C ALA B 209 37.799 45.318 30.253 1.00 23.71 C -ATOM 3037 O ALA B 209 36.844 44.527 30.126 1.00 24.48 O -ATOM 3038 CB ALA B 209 39.191 44.401 32.138 1.00 24.29 C -ATOM 3039 N ASP B 210 37.623 46.645 30.031 1.00 23.37 N -ATOM 3040 CA ASP B 210 36.317 47.157 29.618 1.00 23.57 C -ATOM 3041 C ASP B 210 36.066 47.038 28.125 1.00 22.86 C -ATOM 3042 O ASP B 210 35.062 47.517 27.583 1.00 21.93 O -ATOM 3043 CB ASP B 210 36.071 48.556 30.133 1.00 26.39 C -ATOM 3044 CG ASP B 210 36.946 49.632 29.570 1.00 32.67 C -ATOM 3045 OD1 ASP B 210 36.758 50.815 30.021 1.00 37.24 O -ATOM 3046 OD2 ASP B 210 37.831 49.388 28.731 1.00 30.54 O -ATOM 3047 N ASN B 211 36.965 46.338 27.429 1.00 20.62 N -ATOM 3048 CA ASN B 211 36.760 46.038 25.980 1.00 19.54 C -ATOM 3049 C ASN B 211 35.902 44.770 25.942 1.00 23.51 C -ATOM 3050 O ASN B 211 36.270 43.693 25.472 1.00 24.02 O -ATOM 3051 CB ASN B 211 38.161 45.759 25.390 1.00 20.91 C -ATOM 3052 CG ASN B 211 38.143 45.371 23.926 1.00 22.66 C -ATOM 3053 OD1 ASN B 211 37.162 45.565 23.230 1.00 22.16 O -ATOM 3054 ND2 ASN B 211 39.278 44.819 23.447 1.00 19.21 N -ATOM 3055 N ILE B 212 34.631 44.939 26.409 1.00 22.40 N -ATOM 3056 CA ILE B 212 33.736 43.813 26.503 1.00 23.52 C -ATOM 3057 C ILE B 212 33.010 43.415 25.242 1.00 23.36 C -ATOM 3058 O ILE B 212 32.800 44.212 24.334 1.00 23.20 O -ATOM 3059 CB ILE B 212 32.651 44.080 27.591 1.00 27.53 C -ATOM 3060 CG1 ILE B 212 31.804 45.278 27.191 1.00 29.25 C -ATOM 3061 CG2 ILE B 212 33.369 44.279 28.919 1.00 29.89 C -ATOM 3062 CD1 ILE B 212 30.593 45.580 28.025 1.00 36.08 C -ATOM 3063 N LYS B 213 32.531 42.176 25.248 1.00 22.10 N -ATOM 3064 CA LYS B 213 31.728 41.690 24.123 1.00 24.36 C -ATOM 3065 C LYS B 213 30.234 41.759 24.496 1.00 28.24 C -ATOM 3066 O LYS B 213 29.864 41.182 25.526 1.00 29.96 O -ATOM 3067 CB LYS B 213 32.117 40.257 23.783 1.00 26.38 C -ATOM 3068 CG LYS B 213 31.465 39.730 22.502 1.00 27.58 C -ATOM 3069 CD LYS B 213 32.005 38.309 22.187 1.00 32.50 C -ATOM 3070 CE LYS B 213 31.235 37.787 20.964 1.00 35.80 C -ATOM 3071 NZ LYS B 213 31.567 36.352 20.701 1.00 45.63 N -ATOM 3072 N VAL B 214 29.420 42.342 23.648 1.00 29.26 N -ATOM 3073 CA VAL B 214 27.968 42.435 23.899 1.00 29.19 C -ATOM 3074 C VAL B 214 27.290 41.157 23.390 1.00 31.42 C -ATOM 3075 O VAL B 214 27.219 40.916 22.176 1.00 30.25 O -ATOM 3076 CB VAL B 214 27.386 43.672 23.235 1.00 28.04 C -ATOM 3077 CG1 VAL B 214 25.859 43.767 23.488 1.00 29.05 C -ATOM 3078 CG2 VAL B 214 28.050 44.936 23.763 1.00 23.27 C -ATOM 3079 N THR B 215 26.901 40.280 24.331 1.00 32.33 N -ATOM 3080 CA THR B 215 26.269 39.022 23.938 1.00 35.39 C -ATOM 3081 C THR B 215 24.881 38.827 24.541 1.00 38.57 C -ATOM 3082 O THR B 215 24.099 38.017 23.997 1.00 40.30 O -ATOM 3083 CB THR B 215 27.130 37.800 24.255 1.00 37.50 C -ATOM 3084 OG1 THR B 215 27.429 37.682 25.630 1.00 38.54 O -ATOM 3085 CG2 THR B 215 28.458 37.843 23.493 1.00 41.22 C -ATOM 3086 N ARG B 216 24.560 39.507 25.600 1.00 37.64 N -ATOM 3087 CA ARG B 216 23.263 39.406 26.274 1.00 42.98 C -ATOM 3088 C ARG B 216 22.670 40.798 26.396 1.00 42.38 C -ATOM 3089 O ARG B 216 23.393 41.801 26.349 1.00 41.74 O -ATOM 3090 CB ARG B 216 23.385 38.697 27.617 1.00 41.30 C -ATOM 3091 CG ARG B 216 23.344 37.176 27.519 1.00 47.09 C -ATOM 3092 CD ARG B 216 21.927 36.682 27.224 1.00 49.60 C -ATOM 3093 N PRO B 217 21.367 40.894 26.620 1.00 44.29 N -ATOM 3094 CA PRO B 217 20.684 42.167 26.717 1.00 43.60 C -ATOM 3095 C PRO B 217 21.210 43.110 27.749 1.00 42.40 C -ATOM 3096 O PRO B 217 21.248 44.339 27.522 1.00 43.26 O -ATOM 3097 CB PRO B 217 19.222 41.811 26.891 1.00 44.08 C -ATOM 3098 CG PRO B 217 19.178 40.385 27.281 1.00 46.34 C -ATOM 3099 CD PRO B 217 20.431 39.747 26.737 1.00 45.51 C -ATOM 3100 N GLU B 218 21.745 42.634 28.876 1.00 42.73 N -ATOM 3101 CA GLU B 218 22.266 43.545 29.900 1.00 42.42 C -ATOM 3102 C GLU B 218 23.612 44.150 29.540 1.00 41.62 C -ATOM 3103 O GLU B 218 24.040 45.153 30.111 1.00 39.32 O -ATOM 3104 CB GLU B 218 22.414 42.770 31.221 1.00 49.86 C -ATOM 3105 CG GLU B 218 23.252 41.518 31.087 1.00 51.71 C -ATOM 3106 CD GLU B 218 22.472 40.267 30.764 1.00 54.13 C -ATOM 3107 OE1 GLU B 218 22.971 39.163 31.114 1.00 52.69 O -ATOM 3108 OE2 GLU B 218 21.381 40.349 30.156 1.00 53.22 O -ATOM 3109 N ASP B 219 24.325 43.522 28.598 1.00 40.16 N -ATOM 3110 CA ASP B 219 25.640 43.992 28.181 1.00 37.40 C -ATOM 3111 C ASP B 219 25.575 45.323 27.474 1.00 36.87 C -ATOM 3112 O ASP B 219 26.552 46.082 27.430 1.00 38.94 O -ATOM 3113 CB ASP B 219 26.308 42.945 27.270 1.00 37.04 C -ATOM 3114 CG ASP B 219 26.636 41.644 27.936 1.00 36.99 C -ATOM 3115 OD1 ASP B 219 26.759 41.566 29.172 1.00 41.41 O -ATOM 3116 OD2 ASP B 219 26.775 40.611 27.235 1.00 39.22 O -ATOM 3117 N LEU B 220 24.435 45.646 26.878 1.00 33.85 N -ATOM 3118 CA LEU B 220 24.201 46.856 26.161 1.00 35.44 C -ATOM 3119 C LEU B 220 24.307 48.095 27.030 1.00 36.94 C -ATOM 3120 O LEU B 220 24.935 49.088 26.676 1.00 36.09 O -ATOM 3121 CB LEU B 220 22.825 46.831 25.468 1.00 37.78 C -ATOM 3122 CG LEU B 220 22.649 47.937 24.413 1.00 42.55 C -ATOM 3123 CD1 LEU B 220 23.464 47.607 23.173 1.00 42.92 C -ATOM 3124 CD2 LEU B 220 21.177 48.127 24.061 1.00 45.25 C -ATOM 3125 N ALA B 221 23.678 48.047 28.224 1.00 37.10 N -ATOM 3126 CA ALA B 221 23.785 49.239 29.096 1.00 36.17 C -ATOM 3127 C ALA B 221 25.206 49.409 29.602 1.00 33.64 C -ATOM 3128 O ALA B 221 25.688 50.547 29.717 1.00 33.97 O -ATOM 3129 CB ALA B 221 22.781 49.165 30.222 1.00 36.66 C -ATOM 3130 N LEU B 222 25.888 48.310 29.893 1.00 33.19 N -ATOM 3131 CA LEU B 222 27.268 48.328 30.369 1.00 32.43 C -ATOM 3132 C LEU B 222 28.194 48.923 29.296 1.00 31.78 C -ATOM 3133 O LEU B 222 29.105 49.680 29.577 1.00 30.45 O -ATOM 3134 CB LEU B 222 27.740 46.918 30.657 1.00 37.53 C -ATOM 3135 CG LEU B 222 28.752 46.608 31.718 1.00 41.87 C -ATOM 3136 CD1 LEU B 222 29.547 45.346 31.370 1.00 40.15 C -ATOM 3137 CD2 LEU B 222 29.673 47.743 32.092 1.00 42.42 C -ATOM 3138 N ALA B 223 27.985 48.451 28.055 1.00 30.60 N -ATOM 3139 CA ALA B 223 28.781 49.006 26.939 1.00 29.03 C -ATOM 3140 C ALA B 223 28.538 50.496 26.811 1.00 28.27 C -ATOM 3141 O ALA B 223 29.454 51.311 26.608 1.00 30.46 O -ATOM 3142 CB ALA B 223 28.408 48.256 25.669 1.00 25.90 C -ATOM 3143 N GLU B 224 27.286 50.931 26.949 1.00 31.52 N -ATOM 3144 CA GLU B 224 26.979 52.369 26.862 1.00 31.56 C -ATOM 3145 C GLU B 224 27.717 53.147 27.931 1.00 29.88 C -ATOM 3146 O GLU B 224 28.335 54.197 27.708 1.00 31.87 O -ATOM 3147 CB GLU B 224 25.466 52.565 26.996 1.00 37.59 C -ATOM 3148 CG GLU B 224 25.063 54.034 27.081 1.00 44.16 C -ATOM 3149 CD GLU B 224 23.570 54.227 26.910 1.00 47.33 C -ATOM 3150 OE1 GLU B 224 22.784 53.552 27.611 1.00 50.27 O -ATOM 3151 OE2 GLU B 224 23.177 55.063 26.075 1.00 51.35 O -ATOM 3152 N PHE B 225 27.666 52.638 29.170 1.00 30.09 N -ATOM 3153 CA PHE B 225 28.365 53.271 30.272 1.00 28.56 C -ATOM 3154 C PHE B 225 29.837 53.456 29.946 1.00 30.69 C -ATOM 3155 O PHE B 225 30.411 54.533 30.097 1.00 30.12 O -ATOM 3156 CB PHE B 225 28.229 52.376 31.530 1.00 32.18 C -ATOM 3157 CG PHE B 225 29.101 52.873 32.653 1.00 33.99 C -ATOM 3158 CD1 PHE B 225 30.303 52.269 32.930 1.00 35.20 C -ATOM 3159 CD2 PHE B 225 28.714 53.989 33.393 1.00 34.92 C -ATOM 3160 CE1 PHE B 225 31.123 52.733 33.953 1.00 35.63 C -ATOM 3161 CE2 PHE B 225 29.529 54.453 34.415 1.00 37.07 C -ATOM 3162 CZ PHE B 225 30.729 53.833 34.694 1.00 36.18 C -ATOM 3163 N TYR B 226 30.474 52.384 29.436 1.00 28.96 N -ATOM 3164 CA TYR B 226 31.882 52.455 29.097 1.00 31.03 C -ATOM 3165 C TYR B 226 32.136 53.438 27.968 1.00 31.82 C -ATOM 3166 O TYR B 226 33.145 54.149 27.985 1.00 33.80 O -ATOM 3167 CB TYR B 226 32.419 51.070 28.686 1.00 33.05 C -ATOM 3168 CG TYR B 226 32.639 50.091 29.814 1.00 32.81 C -ATOM 3169 CD1 TYR B 226 32.472 48.728 29.613 1.00 32.54 C -ATOM 3170 CD2 TYR B 226 33.059 50.524 31.071 1.00 35.25 C -ATOM 3171 CE1 TYR B 226 32.671 47.817 30.635 1.00 33.32 C -ATOM 3172 CE2 TYR B 226 33.250 49.620 32.112 1.00 37.05 C -ATOM 3173 CZ TYR B 226 33.068 48.278 31.880 1.00 35.34 C -ATOM 3174 OH TYR B 226 33.280 47.365 32.889 1.00 34.35 O -ATOM 3175 N LEU B 227 31.236 53.491 26.990 1.00 33.27 N -ATOM 3176 CA LEU B 227 31.445 54.366 25.833 1.00 38.92 C -ATOM 3177 C LEU B 227 31.425 55.825 26.225 1.00 42.86 C -ATOM 3178 O LEU B 227 32.315 56.605 25.858 1.00 43.34 O -ATOM 3179 CB LEU B 227 30.466 54.042 24.708 1.00 36.13 C -ATOM 3180 CG LEU B 227 30.936 52.959 23.725 1.00 37.39 C -ATOM 3181 CD1 LEU B 227 30.006 52.878 22.523 1.00 37.56 C -ATOM 3182 CD2 LEU B 227 32.365 53.243 23.254 1.00 37.00 C -ATOM 3183 N THR B 228 30.460 56.175 27.076 1.00 43.63 N -ATOM 3184 CA THR B 228 30.386 57.552 27.601 1.00 49.66 C -ATOM 3185 C THR B 228 31.677 57.823 28.380 1.00 52.25 C -ATOM 3186 O THR B 228 32.184 58.940 28.408 1.00 53.68 O -ATOM 3187 CB THR B 228 29.139 57.696 28.470 1.00 50.53 C -ATOM 3188 OG1 THR B 228 28.001 57.344 27.644 1.00 53.11 O -ATOM 3189 CG2 THR B 228 28.980 59.105 28.997 1.00 50.51 C -ATOM 3190 N ARG B 229 32.266 56.762 28.885 1.00 54.68 N -ATOM 3191 CA ARG B 229 33.492 56.608 29.584 1.00 56.72 C -ATOM 3192 C ARG B 229 33.404 56.995 31.048 1.00 57.71 C -ATOM 3193 O ARG B 229 32.426 56.609 31.727 1.00 60.59 O -ATOM 3194 CB ARG B 229 34.675 57.249 28.868 1.00 53.75 C -ATOM 3195 CG ARG B 229 34.973 56.768 27.472 1.00 56.74 C -ATOM 3196 CD ARG B 229 35.798 55.503 27.403 1.00 55.81 C -TER 3197 ARG B 229 -HETATM 3198 O HOH A 237 33.923 36.238 30.793 1.00 24.25 O -HETATM 3199 O HOH A 238 26.379 30.591 68.091 1.00 24.07 O -HETATM 3200 O HOH A 239 39.282 22.933 44.114 1.00 26.95 O -HETATM 3201 O HOH A 240 28.500 43.599 44.238 1.00 25.77 O -HETATM 3202 O HOH A 241 25.473 41.279 68.942 1.00 22.02 O -HETATM 3203 O HOH A 242 25.033 37.922 41.220 1.00 24.80 O -HETATM 3204 O HOH A 243 36.037 19.689 61.785 1.00 27.56 O -HETATM 3205 O HOH A 244 44.175 16.957 54.884 1.00 29.46 O -HETATM 3206 O HOH A 245 38.173 29.013 25.928 1.00 28.22 O -HETATM 3207 O HOH A 246 24.360 42.064 41.294 1.00 31.37 O -HETATM 3208 O HOH A 247 25.162 36.062 34.676 1.00 32.82 O -HETATM 3209 O HOH A 248 35.590 40.472 27.608 1.00 26.19 O -HETATM 3210 O HOH A 249 28.934 17.489 47.676 1.00 28.13 O -HETATM 3211 O HOH A 250 33.108 28.707 64.587 1.00 26.02 O -HETATM 3212 O HOH A 251 31.048 40.449 38.414 1.00 30.90 O -HETATM 3213 O HOH A 252 41.921 17.873 49.959 1.00 25.73 O -HETATM 3214 O HOH A 253 17.804 28.284 60.805 1.00 28.97 O -HETATM 3215 O HOH A 254 22.617 40.457 65.048 1.00 26.41 O -HETATM 3216 O HOH A 255 38.637 19.144 62.472 1.00 31.87 O -HETATM 3217 O HOH A 256 35.022 31.392 71.077 1.00 33.78 O -HETATM 3218 O HOH A 257 38.439 39.686 56.989 1.00 43.86 O -HETATM 3219 O HOH A 258 40.495 23.777 47.893 1.00 28.21 O -HETATM 3220 O HOH A 259 30.094 43.924 35.578 1.00 40.57 O -HETATM 3221 O HOH A 260 18.991 40.996 65.982 1.00 29.61 O -HETATM 3222 O HOH A 261 29.095 26.845 63.800 1.00 30.45 O -HETATM 3223 O HOH A 262 25.690 20.297 44.674 1.00 33.18 O -HETATM 3224 O HOH A 263 22.873 39.948 42.064 1.00 27.81 O -HETATM 3225 O HOH A 264 22.848 46.107 46.067 1.00 29.20 O -HETATM 3226 O HOH A 265 29.479 36.658 32.801 1.00 36.39 O -HETATM 3227 O HOH A 266 36.737 43.979 66.624 1.00 35.16 O -HETATM 3228 O HOH A 267 16.379 41.286 57.431 1.00 30.78 O -HETATM 3229 O HOH A 268 25.277 20.224 57.651 1.00 28.68 O -HETATM 3230 O HOH A 269 29.731 18.331 58.913 1.00 33.99 O -HETATM 3231 O HOH A 270 35.009 20.860 64.139 1.00 34.49 O -HETATM 3232 O HOH A 271 35.390 33.917 71.278 1.00 30.74 O -HETATM 3233 O HOH A 272 34.953 36.921 46.285 1.00 47.25 O -HETATM 3234 O HOH A 273 24.418 19.102 55.166 1.00 30.98 O -HETATM 3235 O HOH A 274 34.781 40.683 52.850 1.00 30.36 O -HETATM 3236 O HOH A 275 31.958 37.947 37.478 1.00 32.07 O -HETATM 3237 O HOH A 276 30.879 29.218 30.311 1.00 38.68 O -HETATM 3238 O HOH A 277 30.719 27.846 65.801 1.00 33.84 O -HETATM 3239 O HOH A 278 46.031 25.343 31.680 1.00 31.63 O -HETATM 3240 O HOH A 279 28.209 24.644 34.019 1.00 29.37 O -HETATM 3241 O HOH A 280 34.556 41.977 40.395 1.00 36.71 O -HETATM 3242 O HOH A 281 22.588 50.103 48.476 1.00 50.81 O -HETATM 3243 O HOH A 282 13.831 30.976 50.553 1.00 35.10 O -HETATM 3244 O HOH A 283 51.340 30.418 33.182 1.00 35.83 O -HETATM 3245 O HOH A 284 41.087 21.290 47.090 1.00 33.17 O -HETATM 3246 O HOH A 285 19.222 44.390 46.768 1.00 41.43 O -HETATM 3247 O HOH A 286 26.891 37.021 32.642 1.00 33.88 O -HETATM 3248 O HOH A 287 22.547 47.414 48.540 1.00 44.39 O -HETATM 3249 O HOH A 288 36.826 27.271 24.574 1.00 40.41 O -HETATM 3250 O HOH A 289 28.628 24.084 64.191 1.00 40.20 O -HETATM 3251 O HOH A 290 34.968 17.273 62.018 1.00 35.89 O -HETATM 3252 O HOH A 291 17.261 39.909 64.124 1.00 30.02 O -HETATM 3253 O HOH A 292 35.197 42.189 50.247 1.00 37.47 O -HETATM 3254 O HOH A 293 12.822 34.254 48.629 1.00 37.99 O -HETATM 3255 O HOH A 294 36.956 13.763 51.517 1.00 28.05 O -HETATM 3256 O HOH A 295 29.137 56.381 37.863 1.00 36.24 O -HETATM 3257 O HOH A 296 21.745 28.885 37.651 1.00 39.21 O -HETATM 3258 O HOH A 297 14.306 39.814 58.280 1.00 47.47 O -HETATM 3259 O HOH A 298 36.893 34.673 68.015 1.00 34.52 O -HETATM 3260 O HOH A 299 29.982 27.999 32.279 1.00 40.49 O -HETATM 3261 O HOH A 300 37.528 37.817 70.114 1.00 42.54 O -HETATM 3262 O HOH A 301 38.570 54.296 52.519 1.00 39.93 O -HETATM 3263 O HOH A 302 26.070 43.741 33.268 1.00 39.38 O -HETATM 3264 O HOH A 303 22.705 54.935 39.478 1.00 52.96 O -HETATM 3265 O HOH A 304 20.846 52.612 38.442 1.00 63.47 O -HETATM 3266 O HOH A 305 14.491 34.954 42.428 1.00 48.64 O -HETATM 3267 O HOH A 306 44.559 29.859 53.191 1.00 47.40 O -HETATM 3268 O HOH A 307 23.730 48.152 69.433 1.00 44.15 O -HETATM 3269 O HOH A 308 14.163 31.954 48.045 1.00 32.61 O -HETATM 3270 O HOH A 309 41.538 28.088 46.986 1.00 34.42 O -HETATM 3271 O HOH A 310 36.706 25.697 64.769 1.00 36.22 O -HETATM 3272 O HOH A 311 53.166 32.368 34.061 1.00 51.13 O -HETATM 3273 O HOH A 312 23.839 52.491 56.783 1.00 55.43 O -HETATM 3274 O HOH A 313 29.804 30.090 70.057 1.00 32.81 O -HETATM 3275 O HOH A 314 17.114 35.757 39.565 1.00 43.08 O -HETATM 3276 O HOH A 315 31.483 34.449 50.425 1.00 34.86 O -HETATM 3277 O HOH A 316 16.741 37.482 65.137 1.00 38.73 O -HETATM 3278 O HOH A 317 19.853 21.931 44.903 1.00 39.51 O -HETATM 3279 O HOH A 318 26.868 18.413 58.715 1.00 34.88 O -HETATM 3280 O HOH A 319 12.505 36.455 43.611 1.00 46.75 O -HETATM 3281 O HOH A 320 22.153 29.278 34.825 1.00 43.66 O -HETATM 3282 O HOH A 321 35.251 46.261 67.652 1.00 39.02 O -HETATM 3283 O HOH A 322 36.837 38.084 43.567 1.00 43.81 O -HETATM 3284 O HOH A 323 34.046 21.497 45.048 1.00 35.29 O -HETATM 3285 O HOH A 324 40.057 34.314 65.024 1.00 57.18 O -HETATM 3286 O HOH A 325 17.101 43.986 43.812 1.00 39.39 O -HETATM 3287 O HOH A 326 33.322 39.654 40.809 1.00 41.38 O -HETATM 3288 O HOH B 237 34.529 46.233 23.434 1.00 20.41 O -HETATM 3289 O HOH B 238 41.411 45.348 25.449 1.00 22.58 O -HETATM 3290 O HOH B 239 35.315 52.345 21.269 1.00 26.07 O -HETATM 3291 O HOH B 240 41.348 33.493 2.026 1.00 25.61 O -HETATM 3292 O HOH B 241 37.316 35.697 23.652 1.00 24.41 O -HETATM 3293 O HOH B 242 38.171 49.147 26.014 1.00 24.88 O -HETATM 3294 O HOH B 243 35.863 37.011 21.550 1.00 27.27 O -HETATM 3295 O HOH B 244 32.909 40.536 27.660 1.00 28.48 O -HETATM 3296 O HOH B 245 40.609 31.191 40.399 1.00 25.35 O -HETATM 3297 O HOH B 246 33.617 36.082 -0.478 1.00 23.02 O -HETATM 3298 O HOH B 247 26.181 40.453 -0.197 1.00 30.26 O -HETATM 3299 O HOH B 248 45.351 25.806 22.372 1.00 27.59 O -HETATM 3300 O HOH B 249 23.389 44.186 3.300 1.00 30.06 O -HETATM 3301 O HOH B 250 50.837 51.671 16.905 1.00 28.30 O -HETATM 3302 O HOH B 251 32.459 39.023 15.132 1.00 25.06 O -HETATM 3303 O HOH B 252 39.285 39.643 36.077 1.00 27.57 O -HETATM 3304 O HOH B 253 38.111 37.385 35.203 1.00 26.07 O -HETATM 3305 O HOH B 254 33.764 37.152 39.702 1.00 31.51 O -HETATM 3306 O HOH B 255 31.139 39.769 17.796 1.00 29.06 O -HETATM 3307 O HOH B 256 47.116 25.752 4.671 1.00 33.47 O -HETATM 3308 O HOH B 257 52.255 50.792 14.673 1.00 31.96 O -HETATM 3309 O HOH B 258 23.183 53.436 12.561 1.00 28.62 O -HETATM 3310 O HOH B 259 40.330 48.492 24.517 1.00 26.78 O -HETATM 3311 O HOH B 260 45.219 36.068 2.360 1.00 30.00 O -HETATM 3312 O HOH B 261 29.314 43.712 -1.143 1.00 33.03 O -HETATM 3313 O HOH B 262 41.295 46.163 -0.937 1.00 33.35 O -HETATM 3314 O HOH B 263 32.218 54.965 19.225 1.00 32.28 O -HETATM 3315 O HOH B 264 50.721 35.700 32.499 1.00 30.93 O -HETATM 3316 O HOH B 265 45.022 58.013 23.473 1.00 39.30 O -HETATM 3317 O HOH B 266 25.074 38.672 8.442 1.00 31.90 O -HETATM 3318 O HOH B 267 51.699 37.949 5.112 1.00 31.51 O -HETATM 3319 O HOH B 268 34.842 50.648 -0.492 1.00 34.84 O -HETATM 3320 O HOH B 269 41.243 28.704 2.399 1.00 31.49 O -HETATM 3321 O HOH B 270 39.820 52.762 19.102 1.00 31.69 O -HETATM 3322 O HOH B 271 34.141 53.467 18.686 1.00 29.74 O -HETATM 3323 O HOH B 272 45.052 50.895 27.449 1.00 36.57 O -HETATM 3324 O HOH B 273 26.680 39.432 19.884 1.00 35.87 O -HETATM 3325 O HOH B 274 60.604 37.988 16.373 1.00 37.78 O -HETATM 3326 O HOH B 275 35.874 35.882 42.313 1.00 33.58 O -HETATM 3327 O HOH B 276 28.490 22.043 33.744 1.00 36.95 O -HETATM 3328 O HOH B 277 40.378 30.926 1.449 1.00 28.17 O -HETATM 3329 O HOH B 278 41.049 24.095 33.582 1.00 38.12 O -HETATM 3330 O HOH B 279 22.340 44.053 0.823 1.00 47.46 O -HETATM 3331 O HOH B 280 35.403 29.028 13.022 1.00 32.88 O -HETATM 3332 O HOH B 281 26.763 43.416 -0.099 1.00 30.61 O -HETATM 3333 O HOH B 282 38.312 55.113 19.141 1.00 33.66 O -HETATM 3334 O HOH B 283 37.167 41.713 29.705 1.00 41.16 O -HETATM 3335 O HOH B 284 43.358 34.759 0.498 1.00 36.72 O -HETATM 3336 O HOH B 285 43.897 24.433 37.614 1.00 35.27 O -HETATM 3337 O HOH B 286 35.761 55.405 17.705 1.00 39.18 O -HETATM 3338 O HOH B 287 32.607 21.347 33.127 1.00 34.57 O -HETATM 3339 O HOH B 288 43.733 24.814 18.872 1.00 41.29 O -HETATM 3340 O HOH B 289 38.515 32.504 12.726 1.00 39.00 O -HETATM 3341 O HOH B 290 51.526 46.178 8.436 1.00 38.78 O -HETATM 3342 O HOH B 291 44.699 30.667 41.530 1.00 34.81 O -HETATM 3343 O HOH B 292 19.857 49.290 16.276 1.00 37.83 O -HETATM 3344 O HOH B 293 45.718 22.996 4.407 1.00 45.58 O -HETATM 3345 O HOH B 294 52.112 53.734 13.645 1.00 39.80 O -HETATM 3346 O HOH B 295 40.845 25.462 45.793 1.00 33.79 O -HETATM 3347 O HOH B 296 43.185 41.259 -1.617 1.00 31.46 O -HETATM 3348 O HOH B 297 47.114 36.565 34.325 1.00 32.36 O -HETATM 3349 O HOH B 298 32.134 55.825 16.782 1.00 38.65 O -HETATM 3350 O HOH B 299 42.765 27.217 0.438 1.00 43.06 O -HETATM 3351 O HOH B 300 21.942 54.317 23.709 1.00 41.29 O -HETATM 3352 O HOH B 301 36.405 28.625 3.732 1.00 40.75 O -HETATM 3353 O HOH B 302 30.118 38.401 26.309 1.00 44.13 O -HETATM 3354 O HOH B 303 37.556 40.935 37.884 1.00 46.77 O -HETATM 3355 O HOH B 304 32.997 25.391 8.167 1.00 43.70 O -HETATM 3356 O HOH B 305 37.902 40.417 32.020 1.00 38.28 O -HETATM 3357 O HOH B 306 39.219 38.124 16.466 1.00 36.03 O -HETATM 3358 O HOH B 307 44.208 46.768 2.568 1.00 35.33 O -HETATM 3359 O HOH B 308 20.533 32.439 9.428 1.00 44.73 O -HETATM 3360 O HOH B 309 33.708 35.565 22.872 1.00 36.93 O -HETATM 3361 O HOH B 310 31.326 51.455 1.300 1.00 39.43 O -HETATM 3362 O HOH B 311 37.682 30.639 14.261 1.00 37.07 O -HETATM 3363 O HOH B 312 42.090 33.450 44.231 1.00 50.63 O -HETATM 3364 O HOH B 313 42.690 30.709 -0.269 1.00 39.01 O -HETATM 3365 O HOH B 314 35.394 24.914 15.030 1.00 48.40 O -HETATM 3366 O HOH B 315 39.042 48.676 31.938 1.00 41.14 O -HETATM 3367 O HOH B 316 41.637 46.808 32.703 1.00 39.00 O -HETATM 3368 O HOH B 317 49.060 35.618 36.712 1.00 41.70 O -HETATM 3369 O HOH B 318 35.614 31.511 3.062 1.00 44.75 O -HETATM 3370 O HOH B 319 34.914 44.034 32.204 1.00 48.83 O -HETATM 3371 O HOH B 320 47.621 34.822 2.186 1.00 38.03 O -HETATM 3372 O HOH B 321 34.566 33.770 -1.071 1.00 40.64 O -HETATM 3373 O HOH B 322 52.562 52.979 18.766 1.00 35.96 O -HETATM 3374 O HOH B 323 22.575 33.938 17.631 1.00 42.37 O -HETATM 3375 O HOH B 324 44.132 44.679 31.910 1.00 40.02 O -HETATM 3376 O HOH B 325 31.078 35.229 11.140 1.00 52.56 O -HETATM 3377 O HOH B 326 21.889 42.558 16.440 1.00 41.89 O -HETATM 3378 O HOH B 327 41.141 31.228 43.206 1.00 35.57 O -HETATM 3379 O HOH B 328 49.331 31.494 1.630 1.00 47.68 O -HETATM 3380 O HOH B 329 45.814 36.170 36.640 1.00 38.34 O -HETATM 3381 O HOH B 330 45.544 33.228 -0.455 1.00 43.72 O -HETATM 3382 O HOH B 331 38.372 57.960 7.537 1.00 43.22 O -HETATM 3383 O HOH B 332 23.153 32.563 4.779 1.00 43.98 O -HETATM 3384 O HOH B 333 32.333 32.839 0.713 1.00 59.90 O -HETATM 3385 O HOH B 334 35.068 34.320 45.549 1.00 56.79 O -HETATM 3386 O HOH B 335 34.614 26.071 18.842 1.00 49.05 O -HETATM 3387 O HOH B 336 28.636 54.984 10.986 1.00 43.01 O -HETATM 3388 O HOH B 337 33.306 57.966 9.362 1.00 51.74 O -HETATM 3389 O HOH B 338 48.081 35.769 39.183 1.00 51.14 O -HETATM 3390 O HOH B 339 38.602 27.058 3.080 1.00 43.78 O -HETATM 3391 O HOH B 340 52.941 46.039 22.263 1.00 45.31 O -HETATM 3392 O HOH B 341 48.933 53.300 23.037 1.00 42.68 O -HETATM 3393 O HOH B 342 28.207 37.727 13.908 1.00 47.80 O -HETATM 3394 O HOH B 343 35.118 39.882 36.672 1.00 39.24 O -CONECT 1212 1368 -CONECT 1368 1212 -CONECT 2798 2953 -CONECT 2953 2798 -MASTER 322 0 0 18 30 0 0 6 3373 2 4 38 -END diff --git a/inputs/inputs/in_list b/inputs/inputs/in_list deleted file mode 100644 index 67aacdff84e..00000000000 --- a/inputs/inputs/in_list +++ /dev/null @@ -1,2 +0,0 @@ -../inputs/inputs/1VGT.pdb -../inputs/inputs/1VGX.pdb diff --git a/inputs/test_ERMS.csv b/inputs/test_ERMS.csv deleted file mode 100644 index a3b7266f818..00000000000 --- a/inputs/test_ERMS.csv +++ /dev/null @@ -1,21 +0,0 @@ -0 1 0 -45 0.05 0.95 -90 0.041 0.959 -135 0.02 0.98 -180 0.01 0.99 -225 0.011 0.989 -270 0.007 0.993 -315 0.004 0.996 -360 0.003 0.997 -405 0 1 -450 0 1 -495 0 1 -540 0 1 -585 0 1 -630 0 1 -675 0 1 -720 0 1 -765 0 1 -810 0 1 -855 0 1 -900 0 1 diff --git a/inputs/test_output.out b/inputs/test_output.out deleted file mode 100644 index ce797282dd4..00000000000 --- a/inputs/test_output.out +++ /dev/null @@ -1,3 +0,0 @@ -Structure RMSE Ref15_Score ERMS Rescore -../inputs/inputs/1VGT.pdb 0.389898 -120.098 744.304 -../inputs/inputs/1VGX.pdb 0.388346 -120.098 733.522 diff --git a/source/build_sid_erms_app_debug.sh b/source/build_sid_erms_app_debug.sh deleted file mode 100755 index f14a694a86e..00000000000 --- a/source/build_sid_erms_app_debug.sh +++ /dev/null @@ -1 +0,0 @@ -g++ -o build/src/debug/linux/4.18/64/x86/gcc/13.3/default/apps/pilot/robert_bolz/SID_ERMS_Rescore.o -c -std=c++0x -ffor-scope -isystem external/boost_submod/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -isystem external/libxml2/include -isystem external/rdkit -pipe -Wall -Wextra -pedantic -Werror -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O0 -g -ggdb -ffloat-store -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_MATH_FUNCTIONS -DBOOST_DISABLE_THREADS -DPTR_STD -D_GLIBCXX_DEBUG -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/13.3 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc && g++ -o build/src/debug/linux/4.18/64/x86/gcc/13.3/default/SID_ERMS_Rescore.default.linuxgccdebug -Wl,--disable-new-dtags -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/src/debug/linux/4.18/64/x86/gcc/13.3/default -Wl,-rpath=/home/cbc-lindert-group/cbc-lindert-group2/data/bolz.13/rosetta/source/build/external/debug/linux/4.18/64/x86/gcc/13.3/default -Wl,-rpath=\$ORIGIN -Wl,-rpath=\$ORIGIN/../lib build/src/debug/linux/4.18/64/x86/gcc/13.3/default/apps/pilot/robert_bolz/SID_ERMS_Rescore.o -Lexternal/lib -Lbuild/src/debug/linux/4.18/64/x86/gcc/13.3/default -Lsrc -Lbuild/external/debug/linux/4.18/64/x86/gcc/13.3/default -Lexternal -L/usr/lib -L/usr/local/lib -ldevel -lprotocols.8 -lprotocols.7 -lprotocols_e.6 -lprotocols_d.6 -lprotocols_c.6 -lprotocols_b.6 -lprotocols_a.6 -lprotocols_h.5 -lprotocols_g.5 -lprotocols_f.5 -lprotocols_e.5 -lprotocols_d.5 -lprotocols_c.5 -lprotocols_b.5 -lprotocols_a.5 -lprotocols.4 -lprotocols.3 -lprotocols_b.2 -lprotocols_a.2 -lprotocols.1 -lcore.6 -lcore.5 -lcore.4 -lcore.3 -lcore.2 -lcore.1 -lbasic -lnumeric -lutility -lObjexxFCL -lz -lcppdb -lsqlite3 -lz -lzlib -lcppdb -lsqlite3 -lcifparse -lxml2 -lzmq -lrdkit -lbcl -lcmaes diff --git a/source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc b/source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc deleted file mode 100644 index e4ceb998069..00000000000 --- a/source/src/apps/pilot/robert_bolz/SID_ERMS_Rescore.cc +++ /dev/null @@ -1,673 +0,0 @@ -// -*- mode:c++;tab-width:2;incdent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*- -// vi: set ts=2 noet: -// -// (c) Copyright Rosetta Commons Member Institutions. -// (c) This file is part of the Rosetta software suite and is made available under license. -// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. -// (c) For more information, see http://www.rosettacommons.org. Questions about this can be -// (c) addressed to University of Washington CoMotion, email: license@uw.edu. - -/// @file apps/public/analysis/SID_ERMS_rescore -/// @brief Application to rescore a structure based on ERMS data -/// @author Robert Bolz (bolz.13@osu.edu) - -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include - -#include -#include -#include - -#include -#include -#include -#include -#include -#include -#include -#include -#include - -#include -#include -#include -#include - -#include -#include -#include -#include - -#include -#include - -static basic::Tracer TR( "src.apps.pilot.robert_bolz.SID_ERMS_rescore" ); - -using namespace basic::options; -using namespace basic::options::OptionKeys; - -using namespace basic::options; -using namespace basic::options::OptionKeys; - -//Justin options -basic::options::FileOptionKey const complex_type( "complex_type" ); -basic::options::FileOptionKey const ERMS( "ERMS" ); -basic::options::BooleanOptionKey const RMSE( "RMSE"); -basic::options::FileOptionKey const B_vals( "B_vals" ); -basic::options::RealOptionKey const steepness( "steepness" ); -basic::options::RealOptionKey const breakage_cutoff( "breakage_cutoff" ); - - -//This section of code is copied and adapted from SID_ERMS_prediction (src/apps/public/analysis/SID_ERMS_prediction.cc) for the purpose of simulating the ERMS data for rescoring. - -//calculate probability -core::Real calc_prob(core::Real x,core::Real a, core::Real b) { - return -1.0 / (1.0 + exp(a*(x-b)) ) + 1; -} - -//read in the complex type: subunits and connectivities (nodes and edges) -void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges) { - std::string complex_type_filename; - complex_type_filename = option[ complex_type ](); - utility::io::izstream input(complex_type_filename); - - //error if invalid file - if ( !input.good() ) { - std::string const msg( "Error opening file: " + complex_type_filename ); - utility_exit_with_message( msg ); - } - - //read file - std::string line; - core::Size count = 0; - while ( getline(input,line) ) { - std::istringstream ss(line); - utility::vector1< std::string > inputs = utility::split_whitespace(ss.str()); - //read first line, which contains chain IDs - if ( count==0 ) { - n_chains = inputs.size(); - TR << "Complex type file has " << n_chains << " chains." << std::endl; - for ( core::Size i=1; i<=n_chains; i++ ) { - if ( inputs[i].size() != 1 ) { - std::string const msg( "Chain input incorrectly: " + inputs[i]); - utility_exit_with_message( msg ); - } - char node_curr; - node_curr = inputs[i][0]; - nodes.push_back(node_curr); - TR << "Chain " << i << ": " << node_curr << std::endl; - } - } else { //read in subsequent lines, which contain the interfaces - core::Size n_edges = inputs.size(); //(ss.str().length()+1)/4; - if ( n_edges == 0 ) { - std::string const msg( "Interface input incorrectly"); - utility_exit_with_message( msg ); - } - utility::vector1 edges_curr; - for ( core::Size i=1; i<=n_edges; i++ ) { - std::string edge = inputs[i]; - //check edge format - if ( edge.size()!=3 || edge[1]!='_' ) { - std::string const msg( "Interface input incorrectly: " + edge); - utility_exit_with_message( msg ); - } - - edges_curr.push_back(edge); - } - TR << "Interface type " << count << " has " << n_edges << " symmetric interfaces. Interface " << edges_curr[1] << " is used." << std::endl; - edges.push_back(edges_curr); - } - count++; - } - //check to make sure all chains are involved in at least one interface - for ( core::Size i=1; i<=nodes.size(); i++ ) { - char node_curr = nodes[i]; - bool node_found(false); - for ( core::Size j=1; j<=edges.size(); j++ ) { - for ( core::Size k=1; k<=edges[j].size(); k++ ) { - if ( node_curr==edges[j][k][0] || node_curr==edges[j][k][2] ) { - node_found = true; - } - } - } - if ( !node_found ) { - std::string msg( "Complex type file incorrect. Chain "); - msg.push_back(node_curr); - msg+=" not in an interface. All chains must participate in at least one interface"; - utility_exit_with_message( msg ); - } - } -} - - -//make sure intensities sum to 1 -void check_intensities( const utility::vector1> &ERMS_data ) { - for ( core::Size i=1; i<=ERMS_data.size(); i++ ) { - core::Real sum = 0; - for ( core::Size j=1; j<=ERMS_data[i].size(); j++ ) { - sum += ERMS_data[i][j]; - } - if ( sum < 0.95 || sum > 1.05 ) { - std::string const msg( "Error in ERMS input. Intensities at each acceleration energy must add to 1."); - utility_exit_with_message( msg ); - } - } -} - -//read in acceleration energies or full ERMS -void read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { - - bool input_ERMS = false; - if ( option[ RMSE ].user() ) { - input_ERMS = true; - } else { - TR.Warning << "Acceleration energies read in, but not ERMS values." << std::endl; - } - std::string ERMS_filename; - ERMS_filename = option[ ERMS ](); - utility::io::izstream input(ERMS_filename); - - //error if invalid file - if ( !input.good() ) { - std::string const msg( "Error opening file: " + ERMS_filename ); - utility_exit_with_message( msg ); - } - - //read file - std::string line; - while ( getline(input,line) ) { - std::istringstream ss(line); - core::Real ACE_current; - - ss >> ACE_current; - - if ( ACE_current < 0 ) { - std::string const msg( "Error in acceleration energy input. All acceleration energies must be positive." ); - utility_exit_with_message( msg ); - } - - utility::vector1 ERMS_current; - //read in ERMS data - if ( input_ERMS ) { - for ( core::Size i=1; i<=n_chains; i++ ) { - core::Real ERMS_val_current; - ss >> ERMS_val_current; - - if ( ERMS_val_current < 0 or ERMS_val_current > 1 ) { - std::string const msg( "Error in experimental intensity input. All intensities should be between 0 and 1." ); - utility_exit_with_message( msg ); - } - - ERMS_current.push_back(ERMS_val_current); - } - ERMS_read.push_back(ERMS_current); - } - - runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); - ACE.push_back(ACE_current); - } - check_intensities(ERMS_read); -} - -//read in B values if given via file input -void read_B_vals(utility::vector1 &B) { - std::string B_filename; - B_filename = option[ B_vals ](); - utility::io::izstream input(B_filename); - - //error if invalid file - if ( !input.good() ) { - std::string const msg( "Error opening file: " + B_filename ); - utility_exit_with_message( msg ); - } - - std::stringstream err_msg; - err_msg << "Incorrect number of B values given, must match the number of interface types." << std::endl; - - //read file - std::string line; - core::Size count = 1; - while ( getline(input,line) ) { - std::istringstream ss(line); - - if ( count <= B.size() ) { - ss >> B[count]; - count ++; - } else { - utility_exit_with_message(err_msg.str()); //too many B values input - } - runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); - } - if ( count-1 != B.size() ) { - utility_exit_with_message(err_msg.str()); //too few B values input - } -} - -//check to make sure interfaces are symmetric -void check_interface_symmetry(const core::pose::Pose pose_check, const utility::vector1 &edges_check, core::Real &dSASA, core::Real &PRE) { - core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); - - core::pose::PoseOP pose_checkOP = pose_check.clone(); - - //calculate values for first interface - std::string interface_1(edges_check[1]); - protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_1, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); - IAM->apply(*pose_checkOP); - protocols::analysis::InterfaceData int_data = IAM->get_all_data(); - utility::vector1< core::Real > dSASA_vec = int_data.dSASA; - core::Real dSASA_1 = dSASA_vec[1];//get_all_per_residue_data - dSASA = dSASA_1; //set actual value - - protocols::analysis::PerResidueInterfaceData int_data_per = IAM->get_all_per_residue_data(); - utility::vector1< core::Real > PRE_vec = int_data_per.regional_avg_per_residue_energy_int; - PRE = PRE_vec[1]; //set actual value - - //calculate size for remaining interfaces and compare to first. Should be within 10%. - for ( core::Size j=2; j<=edges_check.size(); j++ ) { - std::string interface_curr(edges_check[j]); - protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_curr, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); - IAM->apply(*pose_checkOP); - protocols::analysis::InterfaceData int_data = IAM->get_all_data(); - utility::vector1< core::Real > dSASA_vec = int_data.dSASA; - core::Real dSASA_curr = dSASA_vec[1]; - - //warn if size difference is greater than 10% compared to first interface. - core::Real percent_diff = std::abs(dSASA_1-dSASA_curr)/(dSASA_1)*100.0; - if ( percent_diff > 10 ) { - TR.Warning << "Interfaces " << interface_1 << " and " << interface_curr << " input as symmetric, but size varies by " << percent_diff << " %. Based on the PDB file, there is a high likelihood that the complex type file is incorrect. It is recommended that you adjust the complex type file to remove the symmetry." << std::endl; - } - } -} - -//calculate B values from PDB (and check for disulfide bond if dimer to shift steepness) -void calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ) { - core::Real w_SA(0.488748); - core::Real w_PRE(-457.753); - core::Real w_int(-1488.57); - if ( option[ breakage_cutoff ].user() ) { - w_SA = 0.464145; - w_PRE = -589.803; - w_int = -1834.75; - } - - //read in a vector of chains present in the input PDB. To be used to check against input interfaces - utility::vector1< char > chains; - for ( core::Size i=1; i<=pose_.num_chains(); i++ ) { - chains.push_back(core::pose::get_chain_from_chain_id(i, pose_)); - } - - //loop through the interfaces - for ( core::Size i=1; i<=edges.size(); i++ ) { - - //check to make sure both chains in the interface are in the input PDB - std::stringstream err_msg; - if ( std::find(chains.begin(), chains.end(), edges[i][1][0]) == chains.end() ) { //check first chain - err_msg << "Chain " << edges[i][1][0] << " not in PDB." << std::endl; - utility_exit_with_message(err_msg.str()); - } - if ( std::find(chains.begin(), chains.end(), edges[i][1][2]) == chains.end() ) { //check second chain - err_msg << "Chain " << edges[i][1][2] << " not in PDB." << std::endl; - utility_exit_with_message(err_msg.str()); - } - - std::string interface(edges[i][1]); - - //Initialize IA mover - protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); - - core::Real dSASA; - core::Real PRE; - //check interface symmetry and (if valid), calculate dSASA and PRE for first interface - check_interface_symmetry(pose_, edges[i], dSASA, PRE); - - B[i] = w_SA*dSASA + w_PRE*PRE + w_int; - TR << "Interface " << edges[i][1] << ": B = " << B[i] << std::endl; - } - - //if dimer, check for disulfide bonds to use different A - if ( n_chains==2 ) { - bool is_DS = false; - //loop through the two chains - for ( core::Size i=1; i<=2; i++ ) { - core::pose::PoseOP current_chain(pose_.split_by_chain(i)); - core::Real num_res = current_chain->size(); - core::Size DS = 0; //intrasubunit disulfide bond calculation - for ( core::Size j=1; j<=num_res; j++ ) { - for ( core::Size k=1; k<=num_res; k++ ) { - if ( current_chain->residue(j).is_bonded(k) && ! current_chain->residue(j).is_polymer_bonded(k) ) { - DS++; - } - } - } - if ( DS>0 ) { - is_DS = true; - } - } - //if there is a disulfide bond, use different steepness - if ( is_DS && !option[ steepness ].user() ) { - A = 0.015; - TR << "Disulfide bond detected for dimer. A = " << A << std::endl; - } - } -} - -//function to simulate ERMS -void simulate_ERMS( utility::vector1> &ERMS_prediction, const utility::vector1 &ACE, const utility::vector1 &B, const core::Size n_chains, const utility::vector1> &edges, const core::Real A, const core::Real breakage_cut, const utility::vector1 &nodes) { - typedef boost::adjacency_list < boost::vecS, boost::vecS, boost::undirectedS > Graph; - core::Size n_sims = 1000; - - TR << "Steepness = " << A << std::endl; - - //loop through the acceleration energies - for ( core::Size i=1; i<=ACE.size(); i++ ) { - core::Real X = ACE[i]; - utility::vector1 PB; //probability of interface breakage - //loop through each B value to calculate the breakage probabilities - for ( core::Size j=1; j<=B.size(); j++ ) { - PB.push_back(calc_prob(X, A, B[j])); - } - - utility::vector1> n_complexes_all; - //loop through each simulation run - for ( core::Size j=1; j<=n_sims; j++ ) { - Graph G(n_chains); - //loop through each interface type - for ( core::Size k=1; k<=B.size(); k++ ) { - //loop through each interface of that type - for ( core::Size l=1; l<=edges[k].size(); l++ ) { - core::Real random_num = numeric::random::uniform(); - if ( random_num > PB[k] ) { - int node_0(nodes.index(edges[k][l][0])-1); - if ( node_0==-1 ) { - std::stringstream err_msg; - err_msg << "Chain " << edges[k][l][0] << " does not match input chains." << std::endl; - utility_exit_with_message(err_msg.str()); - } - int node_1(nodes.index(edges[k][l][2])-1); - if ( node_1==-1 ) { - std::stringstream err_msg; - err_msg << "Chain " << edges[k][l][2] << " does not match input chains." << std::endl; - utility_exit_with_message(err_msg.str()); - } - add_edge(node_0, node_1, G); - } - } - } - utility::vector1 c(num_vertices(G)); - core::Size num = connected_components(G, make_iterator_property_map(c.begin(), get(boost::vertex_index, G), c[1])); - utility::vector1::iterator k; - utility::vector1 n_components(num, 0); - for ( k = c.begin(); k != c.end(); ++k ) { - n_components[*k+1]++; - } - utility::vector1 n_complexes; - for ( core::Size k=1; k<=n_chains; k++ ) { - n_complexes.push_back(count(n_components.begin(), n_components.end(), k)); - } - n_complexes_all.push_back(n_complexes); - } - //calculate the average complexes - utility::vector1 avg_complexes(n_chains, 0.0); - for ( core::Size j=1; j<=n_sims; j++ ) { - for ( core::Size k=1; k<=n_chains; k++ ) { - avg_complexes[k] += n_complexes_all[j][k]; - } - } - for ( core::Size j=1; j<=n_chains; j++ ) { - avg_complexes[j] = avg_complexes[j]/n_sims; - } - //normalize average complexes - if ( X==0 or X <= breakage_cut ) { //breakage not yet allowed, all precursor - for ( core::Size j=1; j<=n_chains; j++ ) { - if ( j==n_chains ) { - ERMS_prediction[j].push_back(1.0); - } else { - ERMS_prediction[j].push_back(0.0); - } - } - } else { - for ( core::Size j=1; j<=n_chains; j++ ) { - ERMS_prediction[j].push_back(avg_complexes[j]*(j)/n_chains); - } - } - } -} - -core::Real calc_RMSE(const utility::vector1> & ERMS_prediction, const utility::vector1> &ERMS, const core::Size n_chains, const core::Size n_ACE) { - core::Real RMSE_val(0.0); - core::Size count(0); - for ( core::Size i=1; i<=n_ACE; i++ ) { - for ( core::Size j=1; j<=n_chains; j++ ) { - RMSE_val += pow(ERMS_prediction[n_chains-(j-1)][i]-ERMS[i][j],2); - count +=1; - } - } - - RMSE_val = pow(RMSE_val/count, 0.5); - return RMSE_val; -} - -//end copied and adapted section - -//calculate the rescored model -core::Real Rescore_models( const core::Real nscore_, const core::Real RMSE_, const core::Real max_, const core::Real min_ ){ - //score structure - core::Real rescore, midpnt, e_exp; - midpnt = (max_ + min_ )/2; - e_exp = (50 * RMSE_) - (0.9 * 50 * midpnt); - rescore = 1000 * ( 1 - ( 1 /(0.1 + ( exp( e_exp ) ) ) ) ); - if (rescore < 0) { - rescore = 0; - } - - rescore += nscore_; - return rescore; -} - -int -main( int argc, char * argv [] ) -{ - - try{ - using namespace basic::options; - using namespace basic::options::OptionKeys; - using namespace core::scoring; - using namespace utility; - using namespace core; - using namespace core::pose; - - //inputting all options - - //hold over local options for ERMS prediction - option.add( complex_type, "TSV file containing the information on complex type (nodes and edges)" ).def("comp.tsv"); - option.add( ERMS, "TSV file containing the ERMS data or acceleration energies" ).def("ERMS.tsv"); - option.add( RMSE, "Calculate RMSE?" ).def(false); - option.add( B_vals, "TSV file containing the B values (eV) for the interfaces" ).def("B.tsv"); - option.add( steepness, "Steepness value (A) as input by the user" ); - option.add( breakage_cutoff, "Breakage cutoff for simulation (eV)" ).def(0.0); - - devel::init( argc, argv ); - - //checking and reading all inputs - - core::Real A_(0.0025); - - //breakage cutoff - core::Real breakage_cutoff_(0.0); - if ( option[ breakage_cutoff ].user() ) { - breakage_cutoff_ = option[ breakage_cutoff ](); - if ( breakage_cutoff_ < 0 ) { - std::stringstream err_msg; - err_msg << "Breakage cutoff must be greater than zero. Value of " << breakage_cutoff_ << " eV given." << std::endl; - utility_exit_with_message(err_msg.str()); - } - A_ = 0.002; //default steepness when using breakage cutoff - } - - //steepness parameter - if ( option[ steepness ].user() ) { - A_ = option[ steepness ](); - TR.Warning << "Custom steepness of " << A_ << " input. Not recommended." << std::endl; - } - - //complex type (nodes and edges) - core::Size n_chains_; - utility::vector1 nodes_; - utility::vector1> edges_; - if ( option[ complex_type ].user() ) { - read_complex_type(n_chains_, nodes_, edges_); - } else { - std::stringstream err_msg; - err_msg << "Must input the complex type using the complex_type option." << std::endl; - utility_exit_with_message(err_msg.str()); - } - TR << "Complex type read in" << std::endl; - - //create score function object - core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); - - std::ostringstream out; - - out << "Structure" << "\t" << "RMSE" << "\t" << "Ref15_Score" << "\t" << "ERMS Rescore" << std::endl; - - utility::vector1 rmse_list; - utility::vector1 score_list; - - //pose specific input checks - - utility::vector1 files; - utility::vector1 list; - if ( option[in::file::l].user() ) { - TR << "using -l option " << std::endl; - list = basic::options::option[ in::file::l ](); - for ( auto const & listfile : list ) { - utility::io::izstream pdbs( listfile ); - std::string fname; - while ( pdbs >> fname ) { - files.push_back(fname); - } - } - for ( auto const & file : files ) { - TR << "creating pose for " << file << std::endl; - pose::Pose pose_in; - core::import_pose::pose_from_file(pose_in, file, core::import_pose::PDB_file); - TR << "created pose for " << file << std::endl; - //std::string output = pose_in->pdb_info()->name(); - - //set up vector of B values. Length is number of different interface types - TR << "edges size is: " << edges_.size() << std::endl; - utility::vector1 B_(edges_.size(), 0.0); - if ( option[ B_vals ].user() ) { - //read in B values if given by file input - read_B_vals(B_); - TR << "B values read in from file" << std::endl; - if ( option[ basic::options::OptionKeys::in::file::l ].user() ) { - TR.Warning << "PDB file input not used. B values read from file instead. To calculate B from structure, remove the flag (B_vals)." << std::endl; - } - } else { - if ( !option[ basic::options::OptionKeys::in::file::l ].user() ) { - std::stringstream err_msg; - err_msg << "Must input either file containing B values (using flag B_vals) or PDB file to calculate B values for simulation." << std::endl; - utility_exit_with_message(err_msg.str()); - } - - calc_B_values(B_, edges_, A_, n_chains_, pose_in); //read in PDB and calculate B values for each the first in each interface type - TR << "B values read in from structure" << std::endl; - - - //read in ERMS data: acceleration energies and ERMS data (if applicable) - utility::vector1 ACE_; //Acceleration energies, read from file or input automatically - utility::vector1> ERMS_; - if ( option[ ERMS ].user() ) { - read_ERMS(ACE_, ERMS_, n_chains_); - TR << "Acceleration energies and ERMS read in from file" << std::endl; - } else { - //if no acceleration energies are input, the range is set from 0 to 2x max B, with 10 steps in between - core::Real step_size = (*max_element(B_.begin(), B_.end()))*2/10; - ACE_.push_back(0.0); - for ( core::Size i=1; i<=10; i++ ) { - ACE_.push_back(i*step_size); - } - TR << "Acceleration energies set up based on max B" << std::endl; - } - - - //simulate ERMS - utility::vector1> ERMS_prediction_(n_chains_); - simulate_ERMS(ERMS_prediction_, ACE_, B_, n_chains_, edges_, A_, breakage_cutoff_, nodes_); - TR << "ERMS simulation complete" << std::endl; - - //calculte RMSE (if applicable) - if ( option[ RMSE ].user() && option[ ERMS ].user() ) { - calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); - } - if ( option[ RMSE ].user() && !option[ ERMS ].user() ) { - TR.Warning << "RMSE cannot be calculated without ERMS data input." << std::endl; - } - - //get score of structure - core::Real score_ = sfxn->score( pose_in ); - - //output results to file - core::Real RMSE_value_(0.0); - RMSE_value_ = calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); - rmse_list.push_back(RMSE_value_); - score_list.push_back(score_); - } - } - //Determine maximum and minimum RMSE - core::Real max_rmse(0.0); - core::Real min_rmse(1.0); - - for ( core::Size i = 1; i <= rmse_list.size(); i++ ) { - if ( max_rmse < rmse_list[i] ) { - max_rmse = rmse_list[i]; - } - } - for ( core::Size i = 1; i <= rmse_list.size(); i++ ) { - if ( min_rmse > rmse_list[i] ) { - min_rmse = rmse_list[i]; - } - } - - //Calculate rescore for each structure - for ( core::Size i=1; i <= rmse_list.size(); i++ ) { - core::Real Rescored_value_(0.0); - Rescored_value_ = Rescore_models(score_list[i], rmse_list[i], max_rmse, min_rmse); - out << files[i] << "\t" << rmse_list[i] << "\t" << score_list[i] << "\t" << Rescored_value_ << std::endl; - } - - //output rescores as a file - using namespace basic::options; - using namespace basic::options::OptionKeys; - std::string outfile("output_rescore.tsv"); - if ( option[ out::file::o ].user() ) outfile = option[ out::file::o ](); - utility::io::ozstream outz( outfile.c_str() ); - outz << out.str(); - outz.close(); - outz.clear(); - TR << "Output results complete." << std::endl; - } - - } catch (utility::excn::Exception const & e ) { - e.display(); - return -1; - } - - return 0; -} diff --git a/source/test_sid_erms_app_debug.sh b/source/test_sid_erms_app_debug.sh deleted file mode 100755 index 9084b7c1b93..00000000000 --- a/source/test_sid_erms_app_debug.sh +++ /dev/null @@ -1,7 +0,0 @@ -./bin/SID_ERMS_Rescore.default.linuxgccdebug \ - -database ../database \ - -in::file::l ../inputs/inputs/in_list \ - -out:file:o ../inputs/test_output.out \ - -complex_type ../inputs/C2.sym \ - -ERMS ../inputs/exp_ERMS.csv \ - -RMSE true From 545485a1bb99cc0e669fe77368fab52026f99199 Mon Sep 17 00:00:00 2001 From: "bolz.13" Date: Wed, 12 Feb 2025 15:42:28 -0500 Subject: [PATCH 5/7] removed pilot app from pilot_apps.src.settings --- source/src/pilot_apps.src.settings.all | 1 - 1 file changed, 1 deletion(-) diff --git a/source/src/pilot_apps.src.settings.all b/source/src/pilot_apps.src.settings.all index 64c12159263..fc4ca85b8a8 100644 --- a/source/src/pilot_apps.src.settings.all +++ b/source/src/pilot_apps.src.settings.all @@ -874,7 +874,6 @@ sources = { "ligand_dock_jd1", # /* Old, jd1 version of ligand_dock, in case someone really needs it. */ ], "pilot/robert_bolz" : [ - "SID_ERMS_Rescore", ], "pilot/ronj" : [ #"surface_optE_parallel", From 4e2f7358d687dba51d060360330506b2855fcdce Mon Sep 17 00:00:00 2001 From: "bolz.13" Date: Mon, 10 Mar 2025 12:41:23 -0400 Subject: [PATCH 6/7] added protocols directory sid_erms_prediction, still having option errors --- .../apps/public/analysis/SID_ERMS_Rescore.cc | 414 +--------------- source/src/protocols.7.src.settings | 5 + .../.nfs00000002ccc85b0200005be4 | Bin 0 -> 16384 bytes .../sid_erms_prediction/sid_erms_simulate.cc | 464 ++++++++++++++++++ .../sid_erms_prediction/sid_erms_simulate.hh | 96 ++++ 5 files changed, 577 insertions(+), 402 deletions(-) create mode 100644 source/src/protocols/sid_erms_prediction/.nfs00000002ccc85b0200005be4 create mode 100644 source/src/protocols/sid_erms_prediction/sid_erms_simulate.cc create mode 100644 source/src/protocols/sid_erms_prediction/sid_erms_simulate.hh diff --git a/source/src/apps/public/analysis/SID_ERMS_Rescore.cc b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc index e4ceb998069..0248a33760a 100644 --- a/source/src/apps/public/analysis/SID_ERMS_Rescore.cc +++ b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc @@ -56,10 +56,9 @@ #include #include -static basic::Tracer TR( "src.apps.pilot.robert_bolz.SID_ERMS_rescore" ); +#include -using namespace basic::options; -using namespace basic::options::OptionKeys; +static basic::Tracer TR( "src.apps.public.analysis.robert_bolz.SID_ERMS_rescore" ); using namespace basic::options; using namespace basic::options::OptionKeys; @@ -72,398 +71,6 @@ basic::options::FileOptionKey const B_vals( "B_vals" ); basic::options::RealOptionKey const steepness( "steepness" ); basic::options::RealOptionKey const breakage_cutoff( "breakage_cutoff" ); - -//This section of code is copied and adapted from SID_ERMS_prediction (src/apps/public/analysis/SID_ERMS_prediction.cc) for the purpose of simulating the ERMS data for rescoring. - -//calculate probability -core::Real calc_prob(core::Real x,core::Real a, core::Real b) { - return -1.0 / (1.0 + exp(a*(x-b)) ) + 1; -} - -//read in the complex type: subunits and connectivities (nodes and edges) -void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges) { - std::string complex_type_filename; - complex_type_filename = option[ complex_type ](); - utility::io::izstream input(complex_type_filename); - - //error if invalid file - if ( !input.good() ) { - std::string const msg( "Error opening file: " + complex_type_filename ); - utility_exit_with_message( msg ); - } - - //read file - std::string line; - core::Size count = 0; - while ( getline(input,line) ) { - std::istringstream ss(line); - utility::vector1< std::string > inputs = utility::split_whitespace(ss.str()); - //read first line, which contains chain IDs - if ( count==0 ) { - n_chains = inputs.size(); - TR << "Complex type file has " << n_chains << " chains." << std::endl; - for ( core::Size i=1; i<=n_chains; i++ ) { - if ( inputs[i].size() != 1 ) { - std::string const msg( "Chain input incorrectly: " + inputs[i]); - utility_exit_with_message( msg ); - } - char node_curr; - node_curr = inputs[i][0]; - nodes.push_back(node_curr); - TR << "Chain " << i << ": " << node_curr << std::endl; - } - } else { //read in subsequent lines, which contain the interfaces - core::Size n_edges = inputs.size(); //(ss.str().length()+1)/4; - if ( n_edges == 0 ) { - std::string const msg( "Interface input incorrectly"); - utility_exit_with_message( msg ); - } - utility::vector1 edges_curr; - for ( core::Size i=1; i<=n_edges; i++ ) { - std::string edge = inputs[i]; - //check edge format - if ( edge.size()!=3 || edge[1]!='_' ) { - std::string const msg( "Interface input incorrectly: " + edge); - utility_exit_with_message( msg ); - } - - edges_curr.push_back(edge); - } - TR << "Interface type " << count << " has " << n_edges << " symmetric interfaces. Interface " << edges_curr[1] << " is used." << std::endl; - edges.push_back(edges_curr); - } - count++; - } - //check to make sure all chains are involved in at least one interface - for ( core::Size i=1; i<=nodes.size(); i++ ) { - char node_curr = nodes[i]; - bool node_found(false); - for ( core::Size j=1; j<=edges.size(); j++ ) { - for ( core::Size k=1; k<=edges[j].size(); k++ ) { - if ( node_curr==edges[j][k][0] || node_curr==edges[j][k][2] ) { - node_found = true; - } - } - } - if ( !node_found ) { - std::string msg( "Complex type file incorrect. Chain "); - msg.push_back(node_curr); - msg+=" not in an interface. All chains must participate in at least one interface"; - utility_exit_with_message( msg ); - } - } -} - - -//make sure intensities sum to 1 -void check_intensities( const utility::vector1> &ERMS_data ) { - for ( core::Size i=1; i<=ERMS_data.size(); i++ ) { - core::Real sum = 0; - for ( core::Size j=1; j<=ERMS_data[i].size(); j++ ) { - sum += ERMS_data[i][j]; - } - if ( sum < 0.95 || sum > 1.05 ) { - std::string const msg( "Error in ERMS input. Intensities at each acceleration energy must add to 1."); - utility_exit_with_message( msg ); - } - } -} - -//read in acceleration energies or full ERMS -void read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { - - bool input_ERMS = false; - if ( option[ RMSE ].user() ) { - input_ERMS = true; - } else { - TR.Warning << "Acceleration energies read in, but not ERMS values." << std::endl; - } - std::string ERMS_filename; - ERMS_filename = option[ ERMS ](); - utility::io::izstream input(ERMS_filename); - - //error if invalid file - if ( !input.good() ) { - std::string const msg( "Error opening file: " + ERMS_filename ); - utility_exit_with_message( msg ); - } - - //read file - std::string line; - while ( getline(input,line) ) { - std::istringstream ss(line); - core::Real ACE_current; - - ss >> ACE_current; - - if ( ACE_current < 0 ) { - std::string const msg( "Error in acceleration energy input. All acceleration energies must be positive." ); - utility_exit_with_message( msg ); - } - - utility::vector1 ERMS_current; - //read in ERMS data - if ( input_ERMS ) { - for ( core::Size i=1; i<=n_chains; i++ ) { - core::Real ERMS_val_current; - ss >> ERMS_val_current; - - if ( ERMS_val_current < 0 or ERMS_val_current > 1 ) { - std::string const msg( "Error in experimental intensity input. All intensities should be between 0 and 1." ); - utility_exit_with_message( msg ); - } - - ERMS_current.push_back(ERMS_val_current); - } - ERMS_read.push_back(ERMS_current); - } - - runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); - ACE.push_back(ACE_current); - } - check_intensities(ERMS_read); -} - -//read in B values if given via file input -void read_B_vals(utility::vector1 &B) { - std::string B_filename; - B_filename = option[ B_vals ](); - utility::io::izstream input(B_filename); - - //error if invalid file - if ( !input.good() ) { - std::string const msg( "Error opening file: " + B_filename ); - utility_exit_with_message( msg ); - } - - std::stringstream err_msg; - err_msg << "Incorrect number of B values given, must match the number of interface types." << std::endl; - - //read file - std::string line; - core::Size count = 1; - while ( getline(input,line) ) { - std::istringstream ss(line); - - if ( count <= B.size() ) { - ss >> B[count]; - count ++; - } else { - utility_exit_with_message(err_msg.str()); //too many B values input - } - runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); - } - if ( count-1 != B.size() ) { - utility_exit_with_message(err_msg.str()); //too few B values input - } -} - -//check to make sure interfaces are symmetric -void check_interface_symmetry(const core::pose::Pose pose_check, const utility::vector1 &edges_check, core::Real &dSASA, core::Real &PRE) { - core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); - - core::pose::PoseOP pose_checkOP = pose_check.clone(); - - //calculate values for first interface - std::string interface_1(edges_check[1]); - protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_1, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); - IAM->apply(*pose_checkOP); - protocols::analysis::InterfaceData int_data = IAM->get_all_data(); - utility::vector1< core::Real > dSASA_vec = int_data.dSASA; - core::Real dSASA_1 = dSASA_vec[1];//get_all_per_residue_data - dSASA = dSASA_1; //set actual value - - protocols::analysis::PerResidueInterfaceData int_data_per = IAM->get_all_per_residue_data(); - utility::vector1< core::Real > PRE_vec = int_data_per.regional_avg_per_residue_energy_int; - PRE = PRE_vec[1]; //set actual value - - //calculate size for remaining interfaces and compare to first. Should be within 10%. - for ( core::Size j=2; j<=edges_check.size(); j++ ) { - std::string interface_curr(edges_check[j]); - protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_curr, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); - IAM->apply(*pose_checkOP); - protocols::analysis::InterfaceData int_data = IAM->get_all_data(); - utility::vector1< core::Real > dSASA_vec = int_data.dSASA; - core::Real dSASA_curr = dSASA_vec[1]; - - //warn if size difference is greater than 10% compared to first interface. - core::Real percent_diff = std::abs(dSASA_1-dSASA_curr)/(dSASA_1)*100.0; - if ( percent_diff > 10 ) { - TR.Warning << "Interfaces " << interface_1 << " and " << interface_curr << " input as symmetric, but size varies by " << percent_diff << " %. Based on the PDB file, there is a high likelihood that the complex type file is incorrect. It is recommended that you adjust the complex type file to remove the symmetry." << std::endl; - } - } -} - -//calculate B values from PDB (and check for disulfide bond if dimer to shift steepness) -void calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ) { - core::Real w_SA(0.488748); - core::Real w_PRE(-457.753); - core::Real w_int(-1488.57); - if ( option[ breakage_cutoff ].user() ) { - w_SA = 0.464145; - w_PRE = -589.803; - w_int = -1834.75; - } - - //read in a vector of chains present in the input PDB. To be used to check against input interfaces - utility::vector1< char > chains; - for ( core::Size i=1; i<=pose_.num_chains(); i++ ) { - chains.push_back(core::pose::get_chain_from_chain_id(i, pose_)); - } - - //loop through the interfaces - for ( core::Size i=1; i<=edges.size(); i++ ) { - - //check to make sure both chains in the interface are in the input PDB - std::stringstream err_msg; - if ( std::find(chains.begin(), chains.end(), edges[i][1][0]) == chains.end() ) { //check first chain - err_msg << "Chain " << edges[i][1][0] << " not in PDB." << std::endl; - utility_exit_with_message(err_msg.str()); - } - if ( std::find(chains.begin(), chains.end(), edges[i][1][2]) == chains.end() ) { //check second chain - err_msg << "Chain " << edges[i][1][2] << " not in PDB." << std::endl; - utility_exit_with_message(err_msg.str()); - } - - std::string interface(edges[i][1]); - - //Initialize IA mover - protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); - - core::Real dSASA; - core::Real PRE; - //check interface symmetry and (if valid), calculate dSASA and PRE for first interface - check_interface_symmetry(pose_, edges[i], dSASA, PRE); - - B[i] = w_SA*dSASA + w_PRE*PRE + w_int; - TR << "Interface " << edges[i][1] << ": B = " << B[i] << std::endl; - } - - //if dimer, check for disulfide bonds to use different A - if ( n_chains==2 ) { - bool is_DS = false; - //loop through the two chains - for ( core::Size i=1; i<=2; i++ ) { - core::pose::PoseOP current_chain(pose_.split_by_chain(i)); - core::Real num_res = current_chain->size(); - core::Size DS = 0; //intrasubunit disulfide bond calculation - for ( core::Size j=1; j<=num_res; j++ ) { - for ( core::Size k=1; k<=num_res; k++ ) { - if ( current_chain->residue(j).is_bonded(k) && ! current_chain->residue(j).is_polymer_bonded(k) ) { - DS++; - } - } - } - if ( DS>0 ) { - is_DS = true; - } - } - //if there is a disulfide bond, use different steepness - if ( is_DS && !option[ steepness ].user() ) { - A = 0.015; - TR << "Disulfide bond detected for dimer. A = " << A << std::endl; - } - } -} - -//function to simulate ERMS -void simulate_ERMS( utility::vector1> &ERMS_prediction, const utility::vector1 &ACE, const utility::vector1 &B, const core::Size n_chains, const utility::vector1> &edges, const core::Real A, const core::Real breakage_cut, const utility::vector1 &nodes) { - typedef boost::adjacency_list < boost::vecS, boost::vecS, boost::undirectedS > Graph; - core::Size n_sims = 1000; - - TR << "Steepness = " << A << std::endl; - - //loop through the acceleration energies - for ( core::Size i=1; i<=ACE.size(); i++ ) { - core::Real X = ACE[i]; - utility::vector1 PB; //probability of interface breakage - //loop through each B value to calculate the breakage probabilities - for ( core::Size j=1; j<=B.size(); j++ ) { - PB.push_back(calc_prob(X, A, B[j])); - } - - utility::vector1> n_complexes_all; - //loop through each simulation run - for ( core::Size j=1; j<=n_sims; j++ ) { - Graph G(n_chains); - //loop through each interface type - for ( core::Size k=1; k<=B.size(); k++ ) { - //loop through each interface of that type - for ( core::Size l=1; l<=edges[k].size(); l++ ) { - core::Real random_num = numeric::random::uniform(); - if ( random_num > PB[k] ) { - int node_0(nodes.index(edges[k][l][0])-1); - if ( node_0==-1 ) { - std::stringstream err_msg; - err_msg << "Chain " << edges[k][l][0] << " does not match input chains." << std::endl; - utility_exit_with_message(err_msg.str()); - } - int node_1(nodes.index(edges[k][l][2])-1); - if ( node_1==-1 ) { - std::stringstream err_msg; - err_msg << "Chain " << edges[k][l][2] << " does not match input chains." << std::endl; - utility_exit_with_message(err_msg.str()); - } - add_edge(node_0, node_1, G); - } - } - } - utility::vector1 c(num_vertices(G)); - core::Size num = connected_components(G, make_iterator_property_map(c.begin(), get(boost::vertex_index, G), c[1])); - utility::vector1::iterator k; - utility::vector1 n_components(num, 0); - for ( k = c.begin(); k != c.end(); ++k ) { - n_components[*k+1]++; - } - utility::vector1 n_complexes; - for ( core::Size k=1; k<=n_chains; k++ ) { - n_complexes.push_back(count(n_components.begin(), n_components.end(), k)); - } - n_complexes_all.push_back(n_complexes); - } - //calculate the average complexes - utility::vector1 avg_complexes(n_chains, 0.0); - for ( core::Size j=1; j<=n_sims; j++ ) { - for ( core::Size k=1; k<=n_chains; k++ ) { - avg_complexes[k] += n_complexes_all[j][k]; - } - } - for ( core::Size j=1; j<=n_chains; j++ ) { - avg_complexes[j] = avg_complexes[j]/n_sims; - } - //normalize average complexes - if ( X==0 or X <= breakage_cut ) { //breakage not yet allowed, all precursor - for ( core::Size j=1; j<=n_chains; j++ ) { - if ( j==n_chains ) { - ERMS_prediction[j].push_back(1.0); - } else { - ERMS_prediction[j].push_back(0.0); - } - } - } else { - for ( core::Size j=1; j<=n_chains; j++ ) { - ERMS_prediction[j].push_back(avg_complexes[j]*(j)/n_chains); - } - } - } -} - -core::Real calc_RMSE(const utility::vector1> & ERMS_prediction, const utility::vector1> &ERMS, const core::Size n_chains, const core::Size n_ACE) { - core::Real RMSE_val(0.0); - core::Size count(0); - for ( core::Size i=1; i<=n_ACE; i++ ) { - for ( core::Size j=1; j<=n_chains; j++ ) { - RMSE_val += pow(ERMS_prediction[n_chains-(j-1)][i]-ERMS[i][j],2); - count +=1; - } - } - - RMSE_val = pow(RMSE_val/count, 0.5); - return RMSE_val; -} - -//end copied and adapted section - //calculate the rescored model core::Real Rescore_models( const core::Real nscore_, const core::Real RMSE_, const core::Real max_, const core::Real min_ ){ //score structure @@ -490,6 +97,8 @@ main( int argc, char * argv [] ) using namespace utility; using namespace core; using namespace core::pose; + //using namespace protocols; + //using namespace protocols::sid_erms_prediction; //inputting all options @@ -530,7 +139,8 @@ main( int argc, char * argv [] ) utility::vector1 nodes_; utility::vector1> edges_; if ( option[ complex_type ].user() ) { - read_complex_type(n_chains_, nodes_, edges_); + //read_complex_type(n_chains_, nodes_, edges_); + protocols::sid_erms_prediction::read_complex_type(n_chains_, nodes_, edges_); } else { std::stringstream err_msg; err_msg << "Must input the complex type using the complex_type option." << std::endl; @@ -574,7 +184,7 @@ main( int argc, char * argv [] ) utility::vector1 B_(edges_.size(), 0.0); if ( option[ B_vals ].user() ) { //read in B values if given by file input - read_B_vals(B_); + protocols::sid_erms_prediction::read_B_vals(B_); TR << "B values read in from file" << std::endl; if ( option[ basic::options::OptionKeys::in::file::l ].user() ) { TR.Warning << "PDB file input not used. B values read from file instead. To calculate B from structure, remove the flag (B_vals)." << std::endl; @@ -586,7 +196,7 @@ main( int argc, char * argv [] ) utility_exit_with_message(err_msg.str()); } - calc_B_values(B_, edges_, A_, n_chains_, pose_in); //read in PDB and calculate B values for each the first in each interface type + protocols::sid_erms_prediction::calc_B_values(B_, edges_, A_, n_chains_, pose_in); //read in PDB and calculate B values for each the first in each interface type TR << "B values read in from structure" << std::endl; @@ -594,7 +204,7 @@ main( int argc, char * argv [] ) utility::vector1 ACE_; //Acceleration energies, read from file or input automatically utility::vector1> ERMS_; if ( option[ ERMS ].user() ) { - read_ERMS(ACE_, ERMS_, n_chains_); + protocols::sid_erms_prediction::read_ERMS(ACE_, ERMS_, n_chains_); TR << "Acceleration energies and ERMS read in from file" << std::endl; } else { //if no acceleration energies are input, the range is set from 0 to 2x max B, with 10 steps in between @@ -609,12 +219,12 @@ main( int argc, char * argv [] ) //simulate ERMS utility::vector1> ERMS_prediction_(n_chains_); - simulate_ERMS(ERMS_prediction_, ACE_, B_, n_chains_, edges_, A_, breakage_cutoff_, nodes_); + protocols::sid_erms_prediction::simulate_ERMS(ERMS_prediction_, ACE_, B_, n_chains_, edges_, A_, breakage_cutoff_, nodes_); TR << "ERMS simulation complete" << std::endl; //calculte RMSE (if applicable) if ( option[ RMSE ].user() && option[ ERMS ].user() ) { - calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); + protocols::sid_erms_prediction::calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); } if ( option[ RMSE ].user() && !option[ ERMS ].user() ) { TR.Warning << "RMSE cannot be calculated without ERMS data input." << std::endl; @@ -625,7 +235,7 @@ main( int argc, char * argv [] ) //output results to file core::Real RMSE_value_(0.0); - RMSE_value_ = calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); + RMSE_value_ = protocols::sid_erms_prediction::calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); rmse_list.push_back(RMSE_value_); score_list.push_back(score_); } diff --git a/source/src/protocols.7.src.settings b/source/src/protocols.7.src.settings index 092d38ff51a..48b5af254b9 100644 --- a/source/src/protocols.7.src.settings +++ b/source/src/protocols.7.src.settings @@ -457,6 +457,11 @@ sources = { "protocols/residue_optimization": [ "MetapatchEnumeration", ], + + "protocols/sid_erms_prediction": [ + "sid_erms_simulate", + ], + "protocols/tcr" : [ "TCRmodel", # /* Ragul Gowthaman, documentation/application_documentation/structure_prediction/TCRmodel.md, test/integration/tests/tcrmodel/, Rosetta/demos/public/tcr_modeling */ "TCRseqInfo", diff --git a/source/src/protocols/sid_erms_prediction/.nfs00000002ccc85b0200005be4 b/source/src/protocols/sid_erms_prediction/.nfs00000002ccc85b0200005be4 new file mode 100644 index 0000000000000000000000000000000000000000..77559a35a659b8222fdbd2d49a6808cd7344904d GIT binary patch literal 16384 zcmeHOU5q4E6)w;fhCc};JeX+i4oYfvy1QnEm_X0WhMjSDTxE2f*~Nu%QdC#p?yl+T zx|On{e5(Sa?lPLHg1`Q7el}&ijkf<*b6|QtGa8d zdj^-N52QNzrn>L%x#ygF?m4IKG-hr)zRGT@%^3JxZ5Z|y=iB1k{ZBvthq}=a{@L2> zja0Mm$C0kvaI5{U?*+}7*&2S=M8^|V89Onr@n)jCTOHBk7B!`YJc_IBNF?EC$(+@6 zV#iA7w;~~VjNeiuk;^R^xmFm7Sh&KMmh_r7k9yJ$Bi{7f*b~99OnSYrNu+UnO&9%R>EbLwrr=yG`_2TBf<94I+Za-ifu$$^psB?n3l z zh5EF(e3Tq0IZ$$-Or>2K?g+!*~(+CGZsRFyI3> z16KjBTy7Z80_TDIfYX2pym6Ufybk;YcpCT?@F;K=mfUAKAk=gDS5z&VVs{x6u84TOzV4mn%oRxxvqd(8eri-bD5KUWvMdbVWGxH`soVp>B(djv z@s7>Uc(L90;*QAdC2C=No{E0rzhRY`5chfvm6r-P_!aMKrsB zis&%AArMVIu6m?>j-bQn$D3^~N!qChy@16XlDA?tBUaa$Od3hx#gaKe6IDTgxxH;K z_PAuGnpxH8u?z$9k9eF!0jti|W|+lHdQ3BZCN!Nx=9y|^isUoRX6FsP$~Erz%yoPh zmw7}ZUAihfQ^~b(Dwv(PqN*C2Z0e@&`Y`J2G?d;MM#GVwTd!-;NZsY*N=_f;JG2O> zTLWD0LMLrEiAAdg)hm=tl6L(kBgvTaFo1?*jKTM@y^ld}i*zj6&`s*9zl`m-B!thM zpxAY7b^Rzh(qnQAt>b1pipJ$6KU*<}8w8pEbWaCdAUCcV}P z!~8(`mgx@V+MtMl2eB-+*AtG8fW9rSty|{^p>1b{xQ=J_IF1unS|{*hRefI;K@8)> zqr%!o`z)thRYb=evR*rd9s}O1sc>S@RCcz(MI^0t$B&mH4@PS^R$-9QX>+6w2v~9? 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Questions about this can be +// (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +/// @file apps/protocols/sid_erms_prediction/sid_erms_simulate +/// @brief Protocol for analyzing protein interfaces and simulating ERMS data +/// @author Robert Bolz (bolz.13@osu.edu) + +#include + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include + +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include + +static basic::Tracer TR( "src.protocols.sid_erms_prediction.sid_erms_simulate" ); + +namespace protocols { +namespace sid_erms_prediction { + +using namespace basic::options; +using namespace basic::options::OptionKeys; + +basic::options::FileOptionKey const complex_type( "complex_type" ); +basic::options::FileOptionKey const ERMS( "ERMS" ); +basic::options::BooleanOptionKey const RMSE( "RMSE"); +basic::options::FileOptionKey const B_vals( "B_vals" ); +basic::options::RealOptionKey const steepness( "steepness" ); +basic::options::RealOptionKey const breakage_cutoff( "breakage_cutoff" ); + +//calculate probability +core::Real calc_prob(core::Real x,core::Real a, core::Real b) { + return -1.0 / (1.0 + exp(a*(x-b)) ) + 1; +} + +//read in the complex type: subunits and connectivities (nodes and edges) +void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges) { + std::string complex_type_filename; + complex_type_filename = option[ complex_type ].user(); + utility::io::izstream input(complex_type_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + complex_type_filename ); + utility_exit_with_message( msg ); + } + + //read file + std::string line; + core::Size count = 0; + while ( getline(input,line) ) { + std::istringstream ss(line); + utility::vector1< std::string > inputs = utility::split_whitespace(ss.str()); + //read first line, which contains chain IDs + if ( count==0 ) { + n_chains = inputs.size(); + TR << "Complex type file has " << n_chains << " chains." << std::endl; + for ( core::Size i=1; i<=n_chains; i++ ) { + if ( inputs[i].size() != 1 ) { + std::string const msg( "Chain input incorrectly: " + inputs[i]); + utility_exit_with_message( msg ); + } + char node_curr; + node_curr = inputs[i][0]; + nodes.push_back(node_curr); + TR << "Chain " << i << ": " << node_curr << std::endl; + } + } else { //read in subsequent lines, which contain the interfaces + core::Size n_edges = inputs.size(); //(ss.str().length()+1)/4; + if ( n_edges == 0 ) { + std::string const msg( "Interface input incorrectly"); + utility_exit_with_message( msg ); + } + utility::vector1 edges_curr; + for ( core::Size i=1; i<=n_edges; i++ ) { + std::string edge = inputs[i]; + //check edge format + if ( edge.size()!=3 || edge[1]!='_' ) { + std::string const msg( "Interface input incorrectly: " + edge); + utility_exit_with_message( msg ); + } + + edges_curr.push_back(edge); + } + TR << "Interface type " << count << " has " << n_edges << " symmetric interfaces. Interface " << edges_curr[1] << " is used." << std::endl; + edges.push_back(edges_curr); + } + count++; + } + //check to make sure all chains are involved in at least one interface + for ( core::Size i=1; i<=nodes.size(); i++ ) { + char node_curr = nodes[i]; + bool node_found(false); + for ( core::Size j=1; j<=edges.size(); j++ ) { + for ( core::Size k=1; k<=edges[j].size(); k++ ) { + if ( node_curr==edges[j][k][0] || node_curr==edges[j][k][2] ) { + node_found = true; + } + } + } + if ( !node_found ) { + std::string msg( "Complex type file incorrect. Chain "); + msg.push_back(node_curr); + msg+=" not in an interface. All chains must participate in at least one interface"; + utility_exit_with_message( msg ); + } + } +} + + +//make sure intensities sum to 1 +void check_intensities( const utility::vector1> &ERMS_data ) { + for ( core::Size i=1; i<=ERMS_data.size(); i++ ) { + core::Real sum = 0; + for ( core::Size j=1; j<=ERMS_data[i].size(); j++ ) { + sum += ERMS_data[i][j]; + } + if ( sum < 0.95 || sum > 1.05 ) { + std::string const msg( "Error in ERMS input. Intensities at each acceleration energy must add to 1."); + utility_exit_with_message( msg ); + } + } +} + +//read in acceleration energies or full ERMS +void read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { + + bool input_ERMS = false; + if ( option[ RMSE ].user() ) { + input_ERMS = true; + } else { + TR.Warning << "Acceleration energies read in, but not ERMS values." << std::endl; + } + std::string ERMS_filename; + ERMS_filename = option[ ERMS ](); + utility::io::izstream input(ERMS_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + ERMS_filename ); + utility_exit_with_message( msg ); + } + + //read file + std::string line; + while ( getline(input,line) ) { + std::istringstream ss(line); + core::Real ACE_current; + + ss >> ACE_current; + + if ( ACE_current < 0 ) { + std::string const msg( "Error in acceleration energy input. All acceleration energies must be positive." ); + utility_exit_with_message( msg ); + } + + utility::vector1 ERMS_current; + //read in ERMS data + if ( input_ERMS ) { + for ( core::Size i=1; i<=n_chains; i++ ) { + core::Real ERMS_val_current; + ss >> ERMS_val_current; + + if ( ERMS_val_current < 0 or ERMS_val_current > 1 ) { + std::string const msg( "Error in experimental intensity input. All intensities should be between 0 and 1." ); + utility_exit_with_message( msg ); + } + + ERMS_current.push_back(ERMS_val_current); + } + ERMS_read.push_back(ERMS_current); + } + + runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); + ACE.push_back(ACE_current); + } + check_intensities(ERMS_read); +} + +//read in B values if given via file input +void read_B_vals(utility::vector1 &B) { + std::string B_filename; + B_filename = option[ B_vals ](); + utility::io::izstream input(B_filename); + + //error if invalid file + if ( !input.good() ) { + std::string const msg( "Error opening file: " + B_filename ); + utility_exit_with_message( msg ); + } + + std::stringstream err_msg; + err_msg << "Incorrect number of B values given, must match the number of interface types." << std::endl; + + //read file + std::string line; + core::Size count = 1; + while ( getline(input,line) ) { + std::istringstream ss(line); + + if ( count <= B.size() ) { + ss >> B[count]; + count ++; + } else { + utility_exit_with_message(err_msg.str()); //too many B values input + } + runtime_assert_string_msg( !(ss.fail() || ss.bad()), "Error in SID_ERMS_prediction: Could not parse line \"" + line + "\"." ); + } + if ( count-1 != B.size() ) { + utility_exit_with_message(err_msg.str()); //too few B values input + } +} + +//check to make sure interfaces are symmetric +void check_interface_symmetry(const core::pose::Pose pose_check, const utility::vector1 &edges_check, core::Real &dSASA, core::Real &PRE) { + core::scoring::ScoreFunctionOP sfxn = core::scoring::get_score_function(); + + core::pose::PoseOP pose_checkOP = pose_check.clone(); + + //calculate values for first interface + std::string interface_1(edges_check[1]); + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_1, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + IAM->apply(*pose_checkOP); + protocols::analysis::InterfaceData int_data = IAM->get_all_data(); + utility::vector1< core::Real > dSASA_vec = int_data.dSASA; + core::Real dSASA_1 = dSASA_vec[1];//get_all_per_residue_data + dSASA = dSASA_1; //set actual value + + protocols::analysis::PerResidueInterfaceData int_data_per = IAM->get_all_per_residue_data(); + utility::vector1< core::Real > PRE_vec = int_data_per.regional_avg_per_residue_energy_int; + PRE = PRE_vec[1]; //set actual value + + //calculate size for remaining interfaces and compare to first. Should be within 10%. + for ( core::Size j=2; j<=edges_check.size(); j++ ) { + std::string interface_curr(edges_check[j]); + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface_curr, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + IAM->apply(*pose_checkOP); + protocols::analysis::InterfaceData int_data = IAM->get_all_data(); + utility::vector1< core::Real > dSASA_vec = int_data.dSASA; + core::Real dSASA_curr = dSASA_vec[1]; + + //warn if size difference is greater than 10% compared to first interface. + core::Real percent_diff = std::abs(dSASA_1-dSASA_curr)/(dSASA_1)*100.0; + if ( percent_diff > 10 ) { + TR.Warning << "Interfaces " << interface_1 << " and " << interface_curr << " input as symmetric, but size varies by " << percent_diff << " %. Based on the PDB file, there is a high likelihood that the complex type file is incorrect. It is recommended that you adjust the complex type file to remove the symmetry." << std::endl; + } + } +} + +//calculate B values from PDB (and check for disulfide bond if dimer to shift steepness) +void calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ) { + core::Real w_SA(0.488748); + core::Real w_PRE(-457.753); + core::Real w_int(-1488.57); + if ( option[ breakage_cutoff ].user() ) { + w_SA = 0.464145; + w_PRE = -589.803; + w_int = -1834.75; + } + + //read in a vector of chains present in the input PDB. To be used to check against input interfaces + utility::vector1< char > chains; + for ( core::Size i=1; i<=pose_.num_chains(); i++ ) { + chains.push_back(core::pose::get_chain_from_chain_id(i, pose_)); + } + + //loop through the interfaces + for ( core::Size i=1; i<=edges.size(); i++ ) { + + //check to make sure both chains in the interface are in the input PDB + std::stringstream err_msg; + if ( std::find(chains.begin(), chains.end(), edges[i][1][0]) == chains.end() ) { //check first chain + err_msg << "Chain " << edges[i][1][0] << " not in PDB." << std::endl; + utility_exit_with_message(err_msg.str()); + } + if ( std::find(chains.begin(), chains.end(), edges[i][1][2]) == chains.end() ) { //check second chain + err_msg << "Chain " << edges[i][1][2] << " not in PDB." << std::endl; + utility_exit_with_message(err_msg.str()); + } + + std::string interface(edges[i][1]); + + //Initialize IA mover + protocols::analysis::InterfaceAnalyzerMoverOP IAM = utility::pointer::make_shared< protocols::analysis::InterfaceAnalyzerMover >(interface, true, core::scoring::ScoreFunctionFactory::create_score_function("ref2015")/*scorefxn_*/, false/*compute_packstat_*/, false/*pack_together_*/, false/*pack_separated_*/); + + core::Real dSASA; + core::Real PRE; + //check interface symmetry and (if valid), calculate dSASA and PRE for first interface + check_interface_symmetry(pose_, edges[i], dSASA, PRE); + + B[i] = w_SA*dSASA + w_PRE*PRE + w_int; + TR << "Interface " << edges[i][1] << ": B = " << B[i] << std::endl; + } + + //if dimer, check for disulfide bonds to use different A + if ( n_chains==2 ) { + bool is_DS = false; + //loop through the two chains + for ( core::Size i=1; i<=2; i++ ) { + core::pose::PoseOP current_chain(pose_.split_by_chain(i)); + core::Real num_res = current_chain->size(); + core::Size DS = 0; //intrasubunit disulfide bond calculation + for ( core::Size j=1; j<=num_res; j++ ) { + for ( core::Size k=1; k<=num_res; k++ ) { + if ( current_chain->residue(j).is_bonded(k) && ! current_chain->residue(j).is_polymer_bonded(k) ) { + DS++; + } + } + } + if ( DS>0 ) { + is_DS = true; + } + } + //if there is a disulfide bond, use different steepness + if ( is_DS && !option[ steepness ].user() ) { + A = 0.015; + TR << "Disulfide bond detected for dimer. A = " << A << std::endl; + } + } +} + +//function to simulate ERMS +void simulate_ERMS( utility::vector1> &ERMS_prediction, const utility::vector1 &ACE, const utility::vector1 &B, const core::Size n_chains, const utility::vector1> &edges, const core::Real A, const core::Real breakage_cut, const utility::vector1 &nodes) { + typedef boost::adjacency_list < boost::vecS, boost::vecS, boost::undirectedS > Graph; + core::Size n_sims = 1000; + + TR << "Steepness = " << A << std::endl; + + //loop through the acceleration energies + for ( core::Size i=1; i<=ACE.size(); i++ ) { + core::Real X = ACE[i]; + utility::vector1 PB; //probability of interface breakage + //loop through each B value to calculate the breakage probabilities + for ( core::Size j=1; j<=B.size(); j++ ) { + PB.push_back(calc_prob(X, A, B[j])); + } + + utility::vector1> n_complexes_all; + //loop through each simulation run + for ( core::Size j=1; j<=n_sims; j++ ) { + Graph G(n_chains); + //loop through each interface type + for ( core::Size k=1; k<=B.size(); k++ ) { + //loop through each interface of that type + for ( core::Size l=1; l<=edges[k].size(); l++ ) { + core::Real random_num = numeric::random::uniform(); + if ( random_num > PB[k] ) { + int node_0(nodes.index(edges[k][l][0])-1); + if ( node_0==-1 ) { + std::stringstream err_msg; + err_msg << "Chain " << edges[k][l][0] << " does not match input chains." << std::endl; + utility_exit_with_message(err_msg.str()); + } + int node_1(nodes.index(edges[k][l][2])-1); + if ( node_1==-1 ) { + std::stringstream err_msg; + err_msg << "Chain " << edges[k][l][2] << " does not match input chains." << std::endl; + utility_exit_with_message(err_msg.str()); + } + add_edge(node_0, node_1, G); + } + } + } + utility::vector1 c(num_vertices(G)); + core::Size num = connected_components(G, make_iterator_property_map(c.begin(), get(boost::vertex_index, G), c[1])); + utility::vector1::iterator k; + utility::vector1 n_components(num, 0); + for ( k = c.begin(); k != c.end(); ++k ) { + n_components[*k+1]++; + } + utility::vector1 n_complexes; + for ( core::Size k=1; k<=n_chains; k++ ) { + n_complexes.push_back(count(n_components.begin(), n_components.end(), k)); + } + n_complexes_all.push_back(n_complexes); + } + //calculate the average complexes + utility::vector1 avg_complexes(n_chains, 0.0); + for ( core::Size j=1; j<=n_sims; j++ ) { + for ( core::Size k=1; k<=n_chains; k++ ) { + avg_complexes[k] += n_complexes_all[j][k]; + } + } + for ( core::Size j=1; j<=n_chains; j++ ) { + avg_complexes[j] = avg_complexes[j]/n_sims; + } + //normalize average complexes + if ( X==0 or X <= breakage_cut ) { //breakage not yet allowed, all precursor + for ( core::Size j=1; j<=n_chains; j++ ) { + if ( j==n_chains ) { + ERMS_prediction[j].push_back(1.0); + } else { + ERMS_prediction[j].push_back(0.0); + } + } + } else { + for ( core::Size j=1; j<=n_chains; j++ ) { + ERMS_prediction[j].push_back(avg_complexes[j]*(j)/n_chains); + } + } + } +} + +core::Real calc_RMSE(const utility::vector1> & ERMS_prediction, const utility::vector1> &ERMS, const core::Size n_chains, const core::Size n_ACE) { + core::Real RMSE_val(0.0); + core::Size count(0); + for ( core::Size i=1; i<=n_ACE; i++ ) { + for ( core::Size j=1; j<=n_chains; j++ ) { + RMSE_val += pow(ERMS_prediction[n_chains-(j-1)][i]-ERMS[i][j],2); + count +=1; + } + } + + RMSE_val = pow(RMSE_val/count, 0.5); + return RMSE_val; +} + +} +} diff --git a/source/src/protocols/sid_erms_prediction/sid_erms_simulate.hh b/source/src/protocols/sid_erms_prediction/sid_erms_simulate.hh new file mode 100644 index 00000000000..b662bd42c70 --- /dev/null +++ b/source/src/protocols/sid_erms_prediction/sid_erms_simulate.hh @@ -0,0 +1,96 @@ +// -*- mode:c++;tab-width:2;incdent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*- +// vi: set ts=2 noet: +// +// (c) Copyright Rosetta Commons Member Institutions. +// (c) This file is part of the Rosetta software suite and is made available under license. +// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons. +// (c) For more information, see http://www.rosettacommons.org. Questions about this can be +// (c) addressed to University of Washington CoMotion, email: license@uw.edu. + +/// @file apps/protocols/sid_erms_prediction/sid_erms_simulate +/// @brief Protocol for analyzing protein interfaces and simulating ERMS data +/// @author Robert Bolz (bolz.13@osu.edu) + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include + +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include +#include +#include + +#include +#include + +namespace protocols { +namespace sid_erms_prediction { + +using namespace basic::options; +using namespace basic::options::OptionKeys; + +using namespace basic::options; +using namespace basic::options::OptionKeys; + +//calculate probability +core::Real calc_prob(core::Real x,core::Real a, core::Real b); + +//read in the complex type: subunits and connectivities (nodes and edges) +void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges); + +//make sure intensities sum to 1 +void check_intensities( const utility::vector1> &ERMS_data ); + +//read in acceleration energies or full ERMS +void read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains); + +//read in B values if given via file input +void read_B_vals(utility::vector1 &B); + +//check to make sure interfaces are symmetric +void check_interface_symmetry(const core::pose::Pose pose_check, const utility::vector1 &edges_check, core::Real &dSASA, core::Real &PRE); + +//calculate B values from PDB (and check for disulfide bond if dimer to shift steepness) +void calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ); + +//function to simulate ERMS +void simulate_ERMS( utility::vector1> &ERMS_prediction, const utility::vector1 &ACE, const utility::vector1 &B, const core::Size n_chains, const utility::vector1> &edges, const core::Real A, const core::Real breakage_cut, const utility::vector1 &nodes); + +//calculate RMSE +core::Real calc_RMSE(const utility::vector1> & ERMS_prediction, const utility::vector1> &ERMS, const core::Size n_chains, const core::Size n_ACE); + +} +} From da83771d32274f0e41648e90ea1519756193bf15 Mon Sep 17 00:00:00 2001 From: "bolz.13" Date: Wed, 28 May 2025 15:36:44 -0400 Subject: [PATCH 7/7] fixed the options used in the protocols/sid_erms_prediction/sid_erms_simulate file, and then correctly called those functions in the apps/public/analysis/SID_ERMS_Rescore.cc --- .../apps/public/analysis/SID_ERMS_Rescore.cc | 83 ++++++------------ source/src/basic/options/options_rosetta.py | 9 +- .../.nfs00000002ccc85b0200005be4 | Bin 16384 -> 0 bytes .../sid_erms_prediction/sid_erms_simulate.cc | 40 +++++---- .../sid_erms_prediction/sid_erms_simulate.hh | 13 +-- 5 files changed, 64 insertions(+), 81 deletions(-) delete mode 100644 source/src/protocols/sid_erms_prediction/.nfs00000002ccc85b0200005be4 diff --git a/source/src/apps/public/analysis/SID_ERMS_Rescore.cc b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc index 0248a33760a..4c088ce2515 100644 --- a/source/src/apps/public/analysis/SID_ERMS_Rescore.cc +++ b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc @@ -16,6 +16,7 @@ #include #include #include +#include #include #include #include @@ -57,20 +58,13 @@ #include #include +#include static basic::Tracer TR( "src.apps.public.analysis.robert_bolz.SID_ERMS_rescore" ); using namespace basic::options; using namespace basic::options::OptionKeys; -//Justin options -basic::options::FileOptionKey const complex_type( "complex_type" ); -basic::options::FileOptionKey const ERMS( "ERMS" ); -basic::options::BooleanOptionKey const RMSE( "RMSE"); -basic::options::FileOptionKey const B_vals( "B_vals" ); -basic::options::RealOptionKey const steepness( "steepness" ); -basic::options::RealOptionKey const breakage_cutoff( "breakage_cutoff" ); - //calculate the rescored model core::Real Rescore_models( const core::Real nscore_, const core::Real RMSE_, const core::Real max_, const core::Real min_ ){ //score structure @@ -93,22 +87,13 @@ main( int argc, char * argv [] ) try{ using namespace basic::options; using namespace basic::options::OptionKeys; + using namespace basic::options::OptionKeys::sid_erms_simulate; using namespace core::scoring; using namespace utility; using namespace core; using namespace core::pose; - //using namespace protocols; - //using namespace protocols::sid_erms_prediction; - - //inputting all options - - //hold over local options for ERMS prediction - option.add( complex_type, "TSV file containing the information on complex type (nodes and edges)" ).def("comp.tsv"); - option.add( ERMS, "TSV file containing the ERMS data or acceleration energies" ).def("ERMS.tsv"); - option.add( RMSE, "Calculate RMSE?" ).def(false); - option.add( B_vals, "TSV file containing the B values (eV) for the interfaces" ).def("B.tsv"); - option.add( steepness, "Steepness value (A) as input by the user" ); - option.add( breakage_cutoff, "Breakage cutoff for simulation (eV)" ).def(0.0); + using namespace protocols; + using namespace protocols::sid_erms_prediction; devel::init( argc, argv ); @@ -118,33 +103,21 @@ main( int argc, char * argv [] ) //breakage cutoff core::Real breakage_cutoff_(0.0); - if ( option[ breakage_cutoff ].user() ) { - breakage_cutoff_ = option[ breakage_cutoff ](); - if ( breakage_cutoff_ < 0 ) { - std::stringstream err_msg; - err_msg << "Breakage cutoff must be greater than zero. Value of " << breakage_cutoff_ << " eV given." << std::endl; - utility_exit_with_message(err_msg.str()); - } - A_ = 0.002; //default steepness when using breakage cutoff - } - - //steepness parameter - if ( option[ steepness ].user() ) { - A_ = option[ steepness ](); - TR.Warning << "Custom steepness of " << A_ << " input. Not recommended." << std::endl; - } //complex type (nodes and edges) core::Size n_chains_; utility::vector1 nodes_; utility::vector1> edges_; - if ( option[ complex_type ].user() ) { + if ( option[ sid_erms_simulate::complex_type ].user() ) { //read_complex_type(n_chains_, nodes_, edges_); - protocols::sid_erms_prediction::read_complex_type(n_chains_, nodes_, edges_); - } else { - std::stringstream err_msg; - err_msg << "Must input the complex type using the complex_type option." << std::endl; - utility_exit_with_message(err_msg.str()); + std::string complex_filename_; + complex_filename_ = option[ sid_erms_simulate::complex_type ](); + tie(n_chains_, nodes_, edges_) = protocols::sid_erms_prediction::read_complex_type(complex_filename_, n_chains_, nodes_, edges_); + TR << "check outputs " << n_chains_ << std::endl; + //} else { + //std::stringstream err_msg; + //err_msg << "Must input the complex type using the complex_type option." << std::endl; + //utility_exit_with_message(err_msg.str()); } TR << "Complex type read in" << std::endl; @@ -182,29 +155,28 @@ main( int argc, char * argv [] ) //set up vector of B values. Length is number of different interface types TR << "edges size is: " << edges_.size() << std::endl; utility::vector1 B_(edges_.size(), 0.0); - if ( option[ B_vals ].user() ) { + if ( option[ basic::options::OptionKeys::sid_erms_simulate::B_vals ].user() ) { //read in B values if given by file input - protocols::sid_erms_prediction::read_B_vals(B_); + B_ = protocols::sid_erms_prediction::read_B_vals(B_); TR << "B values read in from file" << std::endl; if ( option[ basic::options::OptionKeys::in::file::l ].user() ) { - TR.Warning << "PDB file input not used. B values read from file instead. To calculate B from structure, remove the flag (B_vals)." << std::endl; + TR.Warning << "PDB file input not used. B values read from file instead. To calculate B from structure, remove the flag (B_vals)." << std::endl; } } else { if ( !option[ basic::options::OptionKeys::in::file::l ].user() ) { std::stringstream err_msg; err_msg << "Must input either file containing B values (using flag B_vals) or PDB file to calculate B values for simulation." << std::endl; - utility_exit_with_message(err_msg.str()); + utility_exit_with_message(err_msg.str()); + } + B_ = protocols::sid_erms_prediction::calc_B_values(B_, edges_, A_, n_chains_, pose_in); //read in PDB and calculate B values for each the first in each interface type } - - protocols::sid_erms_prediction::calc_B_values(B_, edges_, A_, n_chains_, pose_in); //read in PDB and calculate B values for each the first in each interface type TR << "B values read in from structure" << std::endl; - //read in ERMS data: acceleration energies and ERMS data (if applicable) utility::vector1 ACE_; //Acceleration energies, read from file or input automatically utility::vector1> ERMS_; - if ( option[ ERMS ].user() ) { - protocols::sid_erms_prediction::read_ERMS(ACE_, ERMS_, n_chains_); + if ( option[ basic::options::OptionKeys::sid_erms_simulate::ERMS ].user() ) { + tie(ACE_, ERMS_) = protocols::sid_erms_prediction::read_ERMS(ACE_, ERMS_, n_chains_); TR << "Acceleration energies and ERMS read in from file" << std::endl; } else { //if no acceleration energies are input, the range is set from 0 to 2x max B, with 10 steps in between @@ -216,17 +188,16 @@ main( int argc, char * argv [] ) TR << "Acceleration energies set up based on max B" << std::endl; } - //simulate ERMS utility::vector1> ERMS_prediction_(n_chains_); - protocols::sid_erms_prediction::simulate_ERMS(ERMS_prediction_, ACE_, B_, n_chains_, edges_, A_, breakage_cutoff_, nodes_); + ERMS_prediction_ = protocols::sid_erms_prediction::simulate_ERMS(ERMS_prediction_, ACE_, B_, n_chains_, edges_, A_, breakage_cutoff_, nodes_); TR << "ERMS simulation complete" << std::endl; //calculte RMSE (if applicable) - if ( option[ RMSE ].user() && option[ ERMS ].user() ) { + if ( option[ basic::options::OptionKeys::sid_erms_simulate::RMSE ].user() && option[ basic::options::OptionKeys::sid_erms_simulate::ERMS ].user() ) { protocols::sid_erms_prediction::calc_RMSE(ERMS_prediction_, ERMS_, n_chains_, ERMS_.size()); } - if ( option[ RMSE ].user() && !option[ ERMS ].user() ) { + if ( option[ basic::options::OptionKeys::sid_erms_simulate::RMSE ].user() && !option[ basic::options::OptionKeys::sid_erms_simulate::ERMS ].user() ) { TR.Warning << "RMSE cannot be calculated without ERMS data input." << std::endl; } @@ -253,7 +224,7 @@ main( int argc, char * argv [] ) if ( min_rmse > rmse_list[i] ) { min_rmse = rmse_list[i]; } - } + } //Calculate rescore for each structure for ( core::Size i=1; i <= rmse_list.size(); i++ ) { @@ -274,7 +245,7 @@ main( int argc, char * argv [] ) TR << "Output results complete." << std::endl; } - } catch (utility::excn::Exception const & e ) { + catch (utility::excn::Exception const & e ) { e.display(); return -1; } diff --git a/source/src/basic/options/options_rosetta.py b/source/src/basic/options/options_rosetta.py index 98989706998..0d6bc1df402 100755 --- a/source/src/basic/options/options_rosetta.py +++ b/source/src/basic/options/options_rosetta.py @@ -8249,7 +8249,14 @@ Option('box_length','Integer', desc="Neighborhood lookup box size, 3 for 27 boxes, 4 for 64 boxes etc",default='3'), Option('score_between_opposite_terminal_segments','Boolean', desc="if true, score_between_opposite_terminal_segments like 1-5 or 5-1",default='true'), ), - + Option_Group( 'sid_erms_simulate', + Option('complex_type', 'File', desc="File for describing connectivity of complex"), + Option('ERMS', 'File', desc="File containing the ERMS data for the complex"), + Option('RMSE', 'Boolean', desc="Calculate RMSE?"), + Option('B_vals', 'File', desc="File containing B values for complex"), + Option('steepness', 'Real', desc="Steepness value for complex"), + Option('breakage_cutoff', 'File', desc="breakage cutoff for complex"), + ), Option_Group( 'SSrbrelax', # Option( 'input_pdb','File', desc='input pdb file', default='input_pdb' ), diff --git a/source/src/protocols/sid_erms_prediction/.nfs00000002ccc85b0200005be4 b/source/src/protocols/sid_erms_prediction/.nfs00000002ccc85b0200005be4 deleted file mode 100644 index 77559a35a659b8222fdbd2d49a6808cd7344904d..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 16384 zcmeHOU5q4E6)w;fhCc};JeX+i4oYfvy1QnEm_X0WhMjSDTxE2f*~Nu%QdC#p?yl+T zx|On{e5(Sa?lPLHg1`Q7el}&ijkf<*b6|QtGa8d zdj^-N52QNzrn>L%x#ygF?m4IKG-hr)zRGT@%^3JxZ5Z|y=iB1k{ZBvthq}=a{@L2> zja0Mm$C0kvaI5{U?*+}7*&2S=M8^|V89Onr@n)jCTOHBk7B!`YJc_IBNF?EC$(+@6 zV#iA7w;~~VjNeiuk;^R^xmFm7Sh&KMmh_r7k9yJ$Bi{7f*b~99OnSYrNu+UnO&9%R>EbLwrr=yG`_2TBf<94I+Za-ifu$$^psB?n3l z zh5EF(e3Tq0IZ$$-Or>2K?g+!*~(+CGZsRFyI3> z16KjBTy7Z80_TDIfYX2pym6Ufybk;YcpCT?@F;K=mfUAKAk=gDS5z&VVs{x6u84TOzV4mn%oRxxvqd(8eri-bD5KUWvMdbVWGxH`soVp>B(djv z@s7>Uc(L90;*QAdC2C=No{E0rzhRY`5chfvm6r-P_!aMKrsB zis&%AArMVIu6m?>j-bQn$D3^~N!qChy@16XlDA?tBUaa$Od3hx#gaKe6IDTgxxH;K z_PAuGnpxH8u?z$9k9eF!0jti|W|+lHdQ3BZCN!Nx=9y|^isUoRX6FsP$~Erz%yoPh zmw7}ZUAihfQ^~b(Dwv(PqN*C2Z0e@&`Y`J2G?d;MM#GVwTd!-;NZsY*N=_f;JG2O> zTLWD0LMLrEiAAdg)hm=tl6L(kBgvTaFo1?*jKTM@y^ld}i*zj6&`s*9zl`m-B!thM zpxAY7b^Rzh(qnQAt>b1pipJ$6KU*<}8w8pEbWaCdAUCcV}P z!~8(`mgx@V+MtMl2eB-+*AtG8fW9rSty|{^p>1b{xQ=J_IF1unS|{*hRefI;K@8)> zqr%!o`z)thRYb=evR*rd9s}O1sc>S@RCcz(MI^0t$B&mH4@PS^R$-9QX>+6w2v~9? zT@E}9XJH^ax97yWq%)+)2^@b%deS-`#5`(25J#xwERR;j_Q=YEq{l(I6~SJLo(0?4 z5>c-}XQ7d9TWF&;%|MsBd`DVXUZhn?)`oki*5*ak8q-%K@&0`j@4Q|pqS#i_ra!hm z94%7q0)6|ohjuu``s3tRtSk3pTz826xAj#m4WK%Gtl0P4n^>Z4=o)J zTB0zK=7rwsW5>^kSf>>oOM-EGRV{XG!|~dz+S7i5>|t?mJrz4;@S{NCXyY{w1C(eb z9qMRiUp!%n)N3h>lxvasHH8*xF3l~7XIy1o1#;gDO~+`M7woTK8F8WTXd_voPd=U< z#zo_?du(k@3)46GHuo(Lj!B`y!^jTIOWwL^e|1-hR_lCGYqZFN0fv{*gQ2i2i{0WR zaR<)nnrPq}Gh4z%X=bL^m2VL;p*zo0x@9Bsc#EA#?<+G19!?V33_2IdvTz)iiVI{; 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namespace protocols { @@ -66,22 +69,15 @@ namespace sid_erms_prediction { using namespace basic::options; using namespace basic::options::OptionKeys; -basic::options::FileOptionKey const complex_type( "complex_type" ); -basic::options::FileOptionKey const ERMS( "ERMS" ); -basic::options::BooleanOptionKey const RMSE( "RMSE"); -basic::options::FileOptionKey const B_vals( "B_vals" ); -basic::options::RealOptionKey const steepness( "steepness" ); -basic::options::RealOptionKey const breakage_cutoff( "breakage_cutoff" ); - //calculate probability core::Real calc_prob(core::Real x,core::Real a, core::Real b) { return -1.0 / (1.0 + exp(a*(x-b)) ) + 1; } //read in the complex type: subunits and connectivities (nodes and edges) -void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges) { - std::string complex_type_filename; - complex_type_filename = option[ complex_type ].user(); +std::tuple, utility::vector1>> read_complex_type(std::string &complex_type_filename, core::Size &n_chains, utility::vector1 &nodes, utility::vector1> &edges) { + + TR << "pre function check " << n_chains << nodes << edges << complex_type_filename << std::endl; utility::io::izstream input(complex_type_filename); //error if invalid file @@ -150,6 +146,8 @@ void read_complex_type(core::Size &n_chains, utility::vector1 &nodes, util utility_exit_with_message( msg ); } } + TR << "post function check " << n_chains << nodes << edges << complex_type_filename << std::endl; + return std::make_tuple(n_chains, nodes, edges); } @@ -168,16 +166,16 @@ void check_intensities( const utility::vector1> &ER } //read in acceleration energies or full ERMS -void read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { +std::tuple, utility::vector1>> read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { bool input_ERMS = false; - if ( option[ RMSE ].user() ) { + if ( option[ basic::options::OptionKeys::sid_erms_simulate::RMSE ].user() ) { input_ERMS = true; } else { TR.Warning << "Acceleration energies read in, but not ERMS values." << std::endl; } std::string ERMS_filename; - ERMS_filename = option[ ERMS ](); + ERMS_filename = option[ sid_erms_simulate::ERMS ](); utility::io::izstream input(ERMS_filename); //error if invalid file @@ -220,12 +218,13 @@ void read_ERMS(utility::vector1 &ACE, utility::vector1 &B) { +utility::vector1 read_B_vals(utility::vector1 &B) { std::string B_filename; - B_filename = option[ B_vals ](); + B_filename = option[ sid_erms_simulate::B_vals ](); utility::io::izstream input(B_filename); //error if invalid file @@ -254,6 +253,7 @@ void read_B_vals(utility::vector1 &B) { if ( count-1 != B.size() ) { utility_exit_with_message(err_msg.str()); //too few B values input } + return B; } //check to make sure interfaces are symmetric @@ -293,11 +293,11 @@ void check_interface_symmetry(const core::pose::Pose pose_check, const utility:: } //calculate B values from PDB (and check for disulfide bond if dimer to shift steepness) -void calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ) { +utility::vector1 calc_B_values(utility::vector1 &B, const utility::vector1> &edges, core::Real &A, const core::Size n_chains, const core::pose::Pose pose_ ) { core::Real w_SA(0.488748); core::Real w_PRE(-457.753); core::Real w_int(-1488.57); - if ( option[ breakage_cutoff ].user() ) { + if ( option[ sid_erms_simulate::breakage_cutoff ].user() ) { w_SA = 0.464145; w_PRE = -589.803; w_int = -1834.75; @@ -357,15 +357,16 @@ void calc_B_values(utility::vector1 &B, const utility::vector1