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/public/analysis/SID_ERMS_Rescore.cc b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc new file mode 100644 index 00000000000..4c088ce2515 --- /dev/null +++ b/source/src/apps/public/analysis/SID_ERMS_Rescore.cc @@ -0,0 +1,254 @@ +// -*- 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 +#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; + +//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 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; + + devel::init( argc, argv ); + + //checking and reading all inputs + + core::Real A_(0.0025); + + //breakage cutoff + core::Real breakage_cutoff_(0.0); + + //complex type (nodes and edges) + core::Size n_chains_; + utility::vector1 nodes_; + utility::vector1> edges_; + if ( option[ sid_erms_simulate::complex_type ].user() ) { + //read_complex_type(n_chains_, nodes_, edges_); + 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; + + //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[ basic::options::OptionKeys::sid_erms_simulate::B_vals ].user() ) { + //read in B values if given by file input + 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; + } + } 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()); + } + 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 + } + 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[ 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 + 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_); + 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[ 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[ 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; + } + + //get score of structure + core::Real score_ = sfxn->score( pose_in ); + + //output results to file + core::Real RMSE_value_(0.0); + 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_); + } + } + //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/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/pilot_apps.src.settings.all b/source/src/pilot_apps.src.settings.all index 2d6e47bc926..fc4ca85b8a8 100644 --- a/source/src/pilot_apps.src.settings.all +++ b/source/src/pilot_apps.src.settings.all @@ -873,6 +873,8 @@ 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" : [ + ], "pilot/ronj" : [ #"surface_optE_parallel", #"monomer_protocols", 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/sid_erms_simulate.cc b/source/src/protocols/sid_erms_prediction/sid_erms_simulate.cc new file mode 100644 index 00000000000..7ff8d28a451 --- /dev/null +++ b/source/src/protocols/sid_erms_prediction/sid_erms_simulate.cc @@ -0,0 +1,466 @@ +// -*- 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 + +#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; + +//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) +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 + 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 ); + } + } + TR << "post function check " << n_chains << nodes << edges << complex_type_filename << std::endl; + return std::make_tuple(n_chains, nodes, edges); +} + + +//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 +std::tuple, utility::vector1>> read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains) { + + bool input_ERMS = false; + 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[ sid_erms_simulate::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); + return std::make_tuple(ACE, ERMS_read); +} + +//read in B values if given via file input +utility::vector1 read_B_vals(utility::vector1 &B) { + std::string B_filename; + B_filename = option[ sid_erms_simulate::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 + } + return 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) { + 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) +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[ sid_erms_simulate::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[ sid_erms_simulate::steepness ].user() ) { + A = 0.015; + TR << "Disulfide bond detected for dimer. A = " << A << std::endl; + } + } + return B; +} + +//function to simulate ERMS +utility::vector1> 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); + } + } + } + return ERMS_prediction; +} + +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..cdcce1804f1 --- /dev/null +++ b/source/src/protocols/sid_erms_prediction/sid_erms_simulate.hh @@ -0,0 +1,99 @@ +// -*- 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 +#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) +std::tuple, utility::vector1>> read_complex_type(std::string &complex_type_filename, 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 +std::tuple, utility::vector1>> read_ERMS(utility::vector1 &ACE, utility::vector1> &ERMS_read, const core::Size n_chains); + +//read in B values if given via file input +utility::vector1 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) +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_ ); + +//function to simulate ERMS +utility::vector1> 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); + +} +} 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