{
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"state": "passed"
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"log": "",
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},
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"log": "",
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},
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},
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},
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},
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},
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},
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"log": "",
"state": "passed"
},
"antibody_H3": {
"log": "",
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},
"antibody_H3_camelid": {
"log": "",
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},
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"log": "",
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},
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"log": "",
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},
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"log": "",
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},
"antibody_graft": {
"log": "",
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},
"antibody_numbering_converter": {
"log": "",
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},
"app_exception_handling": {
"log": "",
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},
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"log": "",
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},
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"log": "",
"state": "passed"
},
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},
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"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R3": {
"log": "",
"state": "passed"
},
"autoNOE_rosetta": {
"log": "",
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},
"autosetup_metals_centroid": {
"log": "",
"state": "passed"
},
"backbonegridsampler": {
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},
"backbonegridsampler_multiresidue": {
"log": "",
"state": "passed"
},
"backbonegridsampler_nstruct_mode": {
"log": "",
"state": "passed"
},
"backrub": {
"log": "",
"state": "passed"
},
"backrub_interface_ddG": {
"log": "",
"state": "passed"
},
"backrub_pilot": {
"log": "",
"state": "passed"
},
"basic_gcn_tensorflow_test": {
"log": "",
"state": "passed"
},
"batch_relax": {
"log": "",
"state": "passed"
},
"beta_strand_homodimer": {
"log": "",
"state": "passed"
},
"bin_initialization": {
"log": "",
"state": "passed"
},
"bin_perturbation": {
"log": "",
"state": "passed"
},
"binselector": {
"log": "",
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},
"binselector_probins": {
"log": "",
"state": "passed"
},
"broker": {
"log": "",
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},
"broker_membrane": {
"log": "",
"state": "passed"
},
"bundlegridsampler": {
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},
"bundlegridsampler_composition_energy": {
"log": "",
"state": "passed"
},
"bundlegridsampler_composition_energy_fract_range": {
"log": "",
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"bundlegridsampler_copy_pitch": {
"log": "",
"state": "passed"
},
"bundlegridsampler_design": {
"log": "",
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"bundlereporter_filter": {
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"burial_measure_centroid": {
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},
"buried_area_filter": {
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"state": "passed"
},
"buried_unsat_kinemage": {
"log": "",
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},
"buried_unsat_voids_hbnet_design": {
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},
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},
"c-term_conjugation": {
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"calculate_sasa": {
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},
"carbohydrates": {
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},
"cartesianddg": {
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},
"case_sensitive_filenames": {
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"ccd_ends_graft_mover_rs": {
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"centroid_disulfide_scores": {
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},
"centroid_from_fullatom": {
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},
"cl_complex_rescore": {
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},
"classic_relax_1a19": {
"log": "",
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},
"cleanAlignment": {
"log": "",
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},
"cluster": {
"log": "",
"state": "passed"
},
"cluster_alns": {
"log": "",
"state": "passed"
},
"cluster_calibur": {
"log": "",
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},
"cluster_filter": {
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"state": "passed"
},
"cmaes_minimizer": {
"log": "",
"state": "passed"
},
"coarse_rna_scoring": {
"log": "",
"state": "passed"
},
"code_template_tests_app": {
"log": "",
"state": "passed"
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"code_template_tests_citations": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/code_template_tests_citations/database/citations/rosetta_citations.txt and /home/benchmark/working_dir/master:61968/code_template_tests_citations/database/citations/rosetta_citations.txt differ\r\nFiles /home/benchmark/working_dir/master:61967/code_template_tests_citations/err1.log and /home/benchmark/working_dir/master:61968/code_template_tests_citations/err1.log differ\r\nOnly in /home/benchmark/working_dir/master:61968/code_template_tests_citations: err2.log\r\nFiles /home/benchmark/working_dir/master:61967/code_template_tests_citations/out.log and /home/benchmark/working_dir/master:61968/code_template_tests_citations/out.log differ\r\nOnly in /home/benchmark/working_dir/master:61967/code_template_tests_citations: .test_did_not_run.log\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/code_template_tests_citations/database/citations/rosetta_citations.txt /home/benchmark/working_dir/master:61968/code_template_tests_citations/database/citations/rosetta_citations.txt\r\n18a19,63\r\n> \"\" \"Williamson\" \"DI\"\r\n> [END_PRIMARY_AUTHORS]\r\n> [BEGIN_YEAR]\r\n> 2009\r\n> [END_YEAR]\r\n> [BEGIN_TITLE]\r\n> Caterpillars evolved from onychophorans by hybridogenesis\r\n> [END_TITLE]\r\n> [BEGIN_JOURNAL]\r\n> Proc Natl Acad Sci U S A\r\n> [END_JOURNAL]\r\n> [BEGIN_VOLUME_ISSUE_PAGES]\r\n> 106(47):19901-5\r\n> [END_VOLUME_ISSUE_PAGES]\r\n> [BEGIN_DOI]\r\n> 10.1073/pnas.0908357106\r\n> [END_DOI]\r\n> [END_CITATION]\r\n> \r\n> [BEGIN_CITATION]\r\n> [BEGIN_PRIMARY_AUTHORS]\r\n> \"\" \"Hart\" \"MW\"\r\n> [END_PRIMARY_AUTHORS]\r\n> [BEGIN_SENIOR_AUTHORS]\r\n> \"\" \"Grosberg\" \"RK\"\r\n> [END_SENIOR_AUTHORS]\r\n> [BEGIN_YEAR]\r\n> 2009\r\n> [END_YEAR]\r\n> [BEGIN_TITLE]\r\n> Caterpillars did not evolve from onychophorans by hybridogenesis\r\n> [END_TITLE]\r\n> [BEGIN_JOURNAL]\r\n> Proc Natl Acad Sci U S A\r\n> [END_JOURNAL]\r\n> [BEGIN_VOLUME_ISSUE_PAGES]\r\n> 106(47):19906-9\r\n> [END_VOLUME_ISSUE_PAGES]\r\n> [BEGIN_DOI]\r\n> 10.1073/pnas.0910229106\r\n> [END_DOI]\r\n> [END_CITATION]\r\n> \r\n> [BEGIN_CITATION]\r\n> [BEGIN_PRIMARY_AUTHORS]\r\n541a587\r\n> \r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/code_template_tests_citations/err1.log /home/benchmark/working_dir/master:61968/code_template_tests_citations/err1.log\r\n1,14d0\r\n< Traceback (most recent call last):\r\n< File \"ROSETTA/source/code_templates/add_citation_by_pubmed_id.py\", line 245, in <module>\r\n< main(sys.argv)\r\n< File \"ROSETTA/source/code_templates/add_citation_by_pubmed_id.py\", line 232, in main\r\n< new_citation.init_from_pmid( new_pmid )\r\n< File \"ROSETTA/source/code_templates/add_citation_by_pubmed_id.py\", line 91, in init_from_pmid\r\n< publication = Publication( PubMedLookup( pmid, '' ), resolve_doi=False )\r\n< File \"/home/benchmark/prefix/nobu-3/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/lib/python3.9/site-packages/pubmed_lookup/pubmed_lookup.py\", line 49, in __init__\r\n< xml_dict = self.get_pubmed_xml()\r\n< File \"/home/benchmark/prefix/nobu-3/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/lib/python3.9/site-packages/pubmed_lookup/pubmed_lookup.py\", line 169, in get_pubmed_xml\r\n< xml_dict = xmltodict.parse(xml)\r\n< File \"/home/benchmark/prefix/nobu-3/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/lib/python3.9/site-packages/xmltodict.py\", line 378, in parse\r\n< parser.Parse(xml_input, True)\r\n< xml.parsers.expat.ExpatError: syntax error: line 1, column 0\r\nOnly in /home/benchmark/working_dir/master:61968/code_template_tests_citations: err2.log\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/code_template_tests_citations/out.log /home/benchmark/working_dir/master:61968/code_template_tests_citations/out.log\r\n2a3,9\r\n> Successfully found article titled \"Caterpillars evolved from onychophorans by hybridogenesis.\".\r\n> Adding PubMed ID 19717430 (DOI 10.1073/pnas.0908357106). to citations file.\r\n> Wrote sorted citations list to \"database//citations/rosetta_citations.txt\". Please be sure to commit your changes with \"git add database//citations/rosetta_citations.txt && git commit\".\r\n> Successfully imported pubmed-lookup package.\r\n> Successfully found article titled \"Caterpillars did not evolve from onychophorans by hybridogenesis.\".\r\n> Adding PubMed ID 19880752 (DOI 10.1073/pnas.0910229106). to citations file.\r\n> Wrote sorted citations list to \"database//citations/rosetta_citations.txt\". Please be sure to commit your changes with \"git add database//citations/rosetta_citations.txt && git commit\".\r\nOnly in /home/benchmark/working_dir/master:61967/code_template_tests_citations: .test_did_not_run.log\r\n",
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"code_template_tests_src": {
"log": "",
"state": "passed"
},
"code_template_tests_unit": {
"log": "",
"state": "passed"
},
"coenzymes": {
"log": "",
"state": "passed"
},
"combine_silent": {
"log": "",
"state": "passed"
},
"composition_energy_layers": {
"log": "",
"state": "passed"
},
"constel": {
"log": "",
"state": "passed"
},
"constraints_metric": {
"log": "",
"state": "passed"
},
"contactMap": {
"log": "",
"state": "passed"
},
"control_flow_rs": {
"log": "",
"state": "passed"
},
"copy_rotamer_mover": {
"log": "",
"state": "passed"
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"count_cycpep_sequences": {
"log": "",
"state": "passed"
},
"coupled_moves": {
"log": "",
"state": "passed"
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"crankshaft_flip": {
"log": "",
"state": "passed"
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"create_clash-based_repack_shell": {
"log": "",
"state": "passed"
},
"create_sequence_motif": {
"log": "",
"state": "passed"
},
"crossaln": {
"log": "",
"state": "passed"
},
"crosslinkermover_1_4_bbmb_asymm": {
"log": "",
"state": "passed"
},
"crosslinkermover_1_4_bbmb_c2_symmetry": {
"log": "",
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"crosslinkermover_1_4_bbmb_s2_symm": {
"log": "",
"state": "passed"
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"crosslinkermover_octahedral": {
"log": "",
"state": "passed"
},
"crosslinkermover_octahedral_s2_symm": {
"log": "",
"state": "passed"
},
"crosslinkermover_square_planar": {
"log": "",
"state": "passed"
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"crosslinkermover_square_planar_d2_symm": {
"log": "",
"state": "passed"
},
"crosslinkermover_square_pyramidal": {
"log": "",
"state": "passed"
},
"crosslinkermover_tetrahedral_metal": {
"log": "",
"state": "passed"
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"crosslinkermover_tetrahedral_metal_asp": {
"log": "",
"state": "passed"
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"crosslinkermover_tetrahedral_metal_c2_symmetry": {
"log": "",
"state": "passed"
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"crosslinkermover_tetrahedral_metal_d2_symmetry": {
"log": "",
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"crosslinkermover_thioether": {
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"log": "",
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"crosslinkermover_trigonal_planar": {
"log": "",
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"log": "",
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"crosslinkermover_trigonal_pyramidal": {
"log": "",
"state": "passed"
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"crosslinkermover_trigonal_pyramidal_c3_symm": {
"log": "",
"state": "passed"
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"cs_rosetta_rna": {
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"log": "",
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},
"cstfile_to_theozyme_pdb": {
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},
"custom_basetype_packer_palette": {
"log": "",
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},
"cyclization": {
"log": "",
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},
"cycpep_design_pipeline": {
"log": "",
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},
"cycpep_rdkit_metric": {
"log": "",
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},
"cycpep_rigid_body_permutation_mover": {
"log": "",
"state": "passed"
},
"cycpep_symmetry_filter": {
"log": "",
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"d_workflow": {
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},
"database_jd2_compact_io": {
"log": "",
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},
"database_jd2_io": {
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"database_md5": {
"log": "",
"state": "passed"
},
"database_session_resource": {
"log": "",
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"ddG_ensemble": {
"log": "",
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"ddG_of_mutation": {
"log": "",
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},
"ddG_scan": {
"log": "",
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},
"ddG_sym": {
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"density_denovo": {
"log": "",
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},
"density_refine": {
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},
"density_refine_symm": {
"log": "",
"state": "passed"
},
"density_tools": {
"log": "",
"state": "passed"
},
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"interaction_graph_summary_metric": {
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"iphold": {
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"jd2test_PDBin_mmCIFout": {
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"jd2test_PDBin_mmCIFout_extra_data_separate": {
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"jd2test_mmCIFin_PDBout": {
"log": "",
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"job_definition_script_vars": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/job_definition_script_vars/info.log and /home/benchmark/working_dir/master:61968/job_definition_script_vars/info.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/job_definition_script_vars/info.log /home/benchmark/working_dir/master:61968/job_definition_script_vars/info.log\r\n78a79,82\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n244a249,252\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n1405a1414,1417\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n1571a1584,1587\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n2732a2749,2752\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n2898a2919,2922\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n4059a4084,4087\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n4225a4254,4257\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"jrelax": {
"log": "",
"state": "passed"
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"jscore": {
"log": "",
"state": "passed"
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"kinemage_grid_output": {
"log": "",
"state": "passed"
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"kinematic_looprelax": {
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"state": "passed"
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"ld_converter": {
"log": "",
"state": "passed"
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"ligand_database_io": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/ligand_database_io/log and /home/benchmark/working_dir/master:61968/ligand_database_io/log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/ligand_database_io/log /home/benchmark/working_dir/master:61968/ligand_database_io/log\r\n157a158,161\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n189a194,197\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"ligand_dock_7cpa": {
"log": "",
"state": "passed"
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"ligand_dock_cholesterol": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_cholesterol/log and /home/benchmark/working_dir/master:61968/ligand_dock_cholesterol/log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/ligand_dock_cholesterol/log /home/benchmark/working_dir/master:61968/ligand_dock_cholesterol/log\r\n129a130,133\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n147a152,155\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"ligand_dock_ensemble": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_ensemble/B_1.pdb and /home/benchmark/working_dir/master:61968/ligand_dock_ensemble/B_1.pdb differ\r\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_ensemble/C_1.pdb and /home/benchmark/working_dir/master:61968/ligand_dock_ensemble/C_1.pdb differ\r\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_ensemble/D_1.pdb and /home/benchmark/working_dir/master:61968/ligand_dock_ensemble/D_1.pdb differ\r\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_ensemble/girk_ligands_0001.pdb and /home/benchmark/working_dir/master:61968/ligand_dock_ensemble/girk_ligands_0001.pdb differ\r\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_ensemble/log and /home/benchmark/working_dir/master:61968/ligand_dock_ensemble/log differ\r\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_ensemble/score.sc and /home/benchmark/working_dir/master:61968/ligand_dock_ensemble/score.sc differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/ligand_dock_ensemble/B_1.pdb /home/benchmark/working_dir/master:61968/ligand_dock_ensemble/B_1.pdb\r\n637,645c637,645\r\n< ATOM 623 CG TRP A 590 12.122 -9.840 1.172 1.00 0.00 C \r\n< ATOM 624 CD1 TRP A 590 12.281 -10.739 2.183 1.00 0.00 C \r\n< ATOM 625 CD2 TRP A 590 12.445 -8.544 1.733 1.00 0.00 C \r\n< ATOM 626 NE1 TRP A 590 12.678 -10.096 3.330 1.00 0.00 N \r\n< ATOM 627 CE2 TRP A 590 12.784 -8.752 3.072 1.00 0.00 C \r\n< ATOM 628 CE3 TRP A 590 12.473 -7.244 1.213 1.00 0.00 C \r\n< ATOM 629 CZ2 TRP A 590 13.148 -7.708 3.908 1.00 0.00 C \r\n< ATOM 630 CZ3 TRP A 590 12.839 -6.197 2.050 1.00 0.00 C \r\n< ATOM 631 CH2 TRP A 590 13.168 -6.424 3.362 1.00 0.00 C \r\n---\r\n> ATOM 623 CG TRP A 590 12.122 -9.813 1.166 1.00 0.00 C \r\n> ATOM 624 CD1 TRP A 590 12.292 -10.695 2.191 1.00 0.00 C \r\n> ATOM 625 CD2 TRP A 590 12.433 -8.506 1.705 1.00 0.00 C \r\n> ATOM 626 NE1 TRP A 590 12.685 -10.029 3.327 1.00 0.00 N \r\n> ATOM 627 CE2 TRP A 590 12.778 -8.689 3.047 1.00 0.00 C \r\n> ATOM 628 CE3 TRP A 590 12.448 -7.213 1.164 1.00 0.00 C \r\n> ATOM 629 CZ2 TRP A 590 13.133 -7.628 3.865 1.00 0.00 C \r\n> ATOM 630 CZ3 TRP A 590 12.806 -6.150 1.984 1.00 0.00 C \r\n> ATOM 631 CH2 TRP A 590 13.139 -6.353 3.299 1.00 0.00 C \r\n648,655c648,655\r\n...truncated...\n< ATOM 17782 2HB PHE A 175 3.088 -9.213 -0.072 1.00 0.00 H \r\n< ATOM 17783 HD1 PHE A 175 4.703 -12.500 -0.442 1.00 0.00 H \r\n< ATOM 17784 HD2 PHE A 175 1.708 -10.238 1.598 1.00 0.00 H \r\n< ATOM 17785 HE1 PHE A 175 4.482 -14.305 1.231 1.00 0.00 H \r\n< ATOM 17786 HE2 PHE A 175 1.486 -12.040 3.275 1.00 0.00 H \r\n< ATOM 17787 HZ PHE A 175 2.874 -14.076 3.091 1.00 0.00 H \r\n< ATOM 17788 N LEU A 176 0.497 -9.151 -1.111 1.00 0.00 N \r\n< ATOM 17789 CA LEU A 176 -0.809 -9.079 -0.525 1.00 0.00 C \r\n< ATOM 17790 C LEU A 176 -1.852 -9.515 -1.515 1.00 0.00 C \r\n< ATOM 17791 O LEU A 176 -2.863 -10.105 -1.132 1.00 0.00 O \r\n< ATOM 17792 CB LEU A 176 -1.095 -7.656 -0.030 1.00 0.00 C \r\n< ATOM 17793 CG LEU A 176 -0.214 -7.180 1.132 1.00 0.00 C \r\n< ATOM 17794 CD1 LEU A 176 -0.587 -5.755 1.520 1.00 0.00 C \r\n< ATOM 17795 CD2 LEU A 176 -0.379 -8.122 2.315 1.00 0.00 C \r\n< ATOM 17796 H LEU A 176 1.008 -8.296 -1.279 1.00 0.00 H \r\n< ATOM 17797 HA LEU A 176 -0.836 -9.741 0.340 1.00 0.00 H \r\n< ATOM 17798 1HB LEU A 176 -0.851 -7.102 -0.935 1.00 0.00 H \r\n< ATOM 17799 2HB LEU A 176 -2.149 -7.516 0.209 1.00 0.00 H \r\n< ATOM 17800 HG LEU A 176 0.823 -7.241 0.799 1.00 0.00 H \r\n< ATOM 17801 1HD1 LEU A 176 0.044 -5.426 2.346 1.00 0.00 H \r\n< ATOM 17802 2HD1 LEU A 176 -0.439 -5.095 0.666 1.00 0.00 H \r\n< ATOM 17803 3HD1 LEU A 176 -1.631 -5.724 1.827 1.00 0.00 H \r\n< ATOM 17804 1HD2 LEU A 176 0.249 -7.783 3.140 1.00 0.00 H \r\n< ATOM 17805 2HD2 LEU A 176 -1.422 -8.130 2.631 1.00 0.00 H \r\n< ATOM 17806 3HD2 LEU A 176 -0.080 -9.129 2.023 1.00 0.00 H \r\n< ATOM 17807 N ILE A 177 -1.659 -9.195 -2.810 1.00 0.00 N \r\n< ATOM 17808 CA ILE A 177 -2.599 -9.556 -3.837 1.00 0.00 C \r\n---\r\n> ATOM 17580 HA PHE A 162 11.328 6.557 -2.479 1.00 0.00 H \r\n> ATOM 17581 1HB PHE A 162 12.637 8.431 -4.456 1.00 0.00 H \r\n> ATOM 17582 2HB PHE A 162 11.073 7.706 -4.796 1.00 0.00 H \r\n> ATOM 17583 HD1 PHE A 162 12.484 10.595 -3.733 1.00 0.00 H \r\n> ATOM 17584 HD2 PHE A 162 9.522 7.789 -2.467 1.00 0.00 H \r\n> ATOM 17585 HE1 PHE A 162 11.378 12.364 -2.405 1.00 0.00 H \r\n> ATOM 17586 HE2 PHE A 162 8.412 9.554 -1.140 1.00 0.00 H \r\n> ATOM 17587 HZ PHE A 162 9.342 11.843 -1.109 1.00 0.00 H \r\n> ATOM 17588 N LEU A 163 13.586 5.439 -4.621 1.00 0.00 N \r\n> ATOM 17589 CA LEU A 163 13.887 4.369 -5.534 1.00 0.00 C \r\n> ATOM 17590 C LEU A 163 13.652 3.048 -4.865 1.00 0.00 C \r\n> ATOM 17591 O LEU A 163 13.102 2.120 -5.459 1.00 0.00 O \r\n> ATOM 17592 CB LEU A 163 15.340 4.461 -6.015 1.00 0.00 C \r\n> ATOM 17593 CG LEU A 163 15.677 5.681 -6.883 1.00 0.00 C \r\n> ATOM 17594 CD1 LEU A 163 17.169 5.693 -7.185 1.00 0.00 C \r\n> ATOM 17595 CD2 LEU A 163 14.859 5.634 -8.165 1.00 0.00 C \r\n> ATOM 17596 H LEU A 163 14.312 6.097 -4.376 1.00 0.00 H \r\n> ATOM 17597 HA LEU A 163 13.283 4.499 -6.431 1.00 0.00 H \r\n> ATOM 17598 1HB LEU A 163 15.994 4.484 -5.145 1.00 0.00 H \r\n> ATOM 17599 2HB LEU A 163 15.572 3.568 -6.595 1.00 0.00 H \r\n> ATOM 17600 HG LEU A 163 15.440 6.594 -6.335 1.00 0.00 H \r\n> ATOM 17601 1HD1 LEU A 163 17.408 6.560 -7.802 1.00 0.00 H \r\n> ATOM 17602 2HD1 LEU A 163 17.730 5.747 -6.252 1.00 0.00 H \r\n> ATOM 17603 3HD1 LEU A 163 17.440 4.783 -7.719 1.00 0.00 H \r\n> ATOM 17604 1HD2 LEU A 163 15.098 6.501 -8.781 1.00 0.00 H \r\n> ATOM 17605 2HD2 LEU A 163 15.096 4.722 -8.714 1.00 0.00 H \r\n> ATOM 17606 3HD2 LEU A 163 13.797 5.644 -7.920 1.00 0.00 H \r\n> ATOM 17607 N PHE A 164 14.037 2.951 -3.581 1.00 0.00 N \r\n> ATOM 17608 CA PHE A 164 13.973 1.717 -2.856 1.00 0.00 C \r\n> ATOM 17609 C PHE A 164 12.568 1.550 -2.381 1.00 0.00 C \r\n> ATOM 17610 O PHE A 164 12.004 0.459 -2.463 1.00 0.00 O \r\n> ATOM 17611 CB PHE A 164 14.944 1.710 -1.674 1.00 0.00 C \r\n> ATOM 17612 CG PHE A 164 16.379 1.500 -2.068 1.00 0.00 C \r\n> ATOM 17613 CD1 PHE A 164 17.254 2.572 -2.153 1.00 0.00 C \r\n> ATOM 17614 CD2 PHE A 164 16.855 0.229 -2.357 1.00 0.00 C \r\n> ATOM 17615 CE1 PHE A 164 18.573 2.379 -2.516 1.00 0.00 C \r\n> ATOM 17616 CE2 PHE A 164 18.173 0.034 -2.719 1.00 0.00 C \r\n> ATOM 17617 CZ PHE A 164 19.033 1.111 -2.799 1.00 0.00 C \r\n> ATOM 17618 H PHE A 164 14.382 3.777 -3.116 1.00 0.00 H \r\n> ATOM 17619 HA PHE A 164 14.303 0.911 -3.514 1.00 0.00 H \r\n> ATOM 17620 1HB PHE A 164 14.874 2.656 -1.140 1.00 0.00 H \r\n> ATOM 17621 2HB PHE A 164 14.664 0.920 -0.978 1.00 0.00 H \r\n> ATOM 17622 HD1 PHE A 164 16.891 3.575 -1.928 1.00 0.00 H \r\n> ATOM 17623 HD2 PHE A 164 16.175 -0.621 -2.294 1.00 0.00 H \r\n> ATOM 17624 HE1 PHE A 164 19.251 3.231 -2.579 1.00 0.00 H \r\n> ATOM 17625 HE2 PHE A 164 18.536 -0.969 -2.943 1.00 0.00 H \r\n> ATOM 17626 HZ PHE A 164 20.073 0.958 -3.086 1.00 0.00 H \r\n> ATOM 17627 N GLN A 165 11.972 2.627 -1.837 1.00 0.00 N \r\n> ATOM 17628 CA GLN A 165 10.720 2.478 -1.159 1.00 0.00 C \r\n> ATOM 17629 C GLN A 165 9.610 2.278 -2.144 1.00 0.00 C \r\n> ATOM 17630 O GLN A 165 8.693 1.513 -1.879 1.00 0.00 O \r\n> ATOM 17631 CB GLN A 165 10.433 3.700 -0.282 1.00 0.00 C \r\n> ATOM 17632 CG GLN A 165 11.370 3.849 0.905 1.00 0.00 C \r\n> ATOM 17633 CD GLN A 165 11.290 2.670 1.856 1.00 0.00 C \r\n> ATOM 17634 OE1 GLN A 165 10.201 2.245 2.250 1.00 0.00 O \r\n> ATOM 17635 NE2 GLN A 165 12.447 2.137 2.233 1.00 0.00 N \r\n> ATOM 17636 H GLN A 165 12.394 3.543 -1.898 1.00 0.00 H \r\n> ATOM 17637 HA GLN A 165 10.785 1.613 -0.499 1.00 0.00 H \r\n> ATOM 17638 1HB GLN A 165 10.505 4.605 -0.884 1.00 0.00 H \r\n> ATOM 17639 2HB GLN A 165 9.413 3.642 0.100 1.00 0.00 H \r\n> ATOM 17640 1HG GLN A 165 12.393 3.925 0.539 1.00 0.00 H \r\n> ATOM 17641 2HG GLN A 165 11.102 4.751 1.455 1.00 0.00 H \r\n> ATOM 17642 1HE2 GLN A 165 12.457 1.356 2.860 1.00 0.00 H \r\n> ATOM 17643 2HE2 GLN A 165 13.307 2.513 1.890 1.00 0.00 H \r\n> ATOM 17644 N SER A 166 9.545 2.885 -3.316 1.00 0.00 N \r\n> ATOM 17645 CA SER A 166 8.366 2.642 -4.107 1.00 0.00 C \r\n> ATOM 17646 C SER A 166 8.375 1.248 -4.651 1.00 0.00 C \r\n> ATOM 17647 O SER A 166 7.318 0.635 -4.800 1.00 0.00 O \r\n> ATOM 17648 CB SER A 166 8.279 3.640 -5.245 1.00 0.00 C \r\n> ATOM 17649 OG SER A 166 9.322 3.448 -6.161 1.00 0.00 O \r\n> ATOM 17650 H SER A 166 10.309 3.408 -3.719 1.00 0.00 H \r\n> ATOM 17651 HA SER A 166 7.489 2.798 -3.478 1.00 0.00 H \r\n> ATOM 17652 1HB SER A 166 7.320 3.531 -5.751 1.00 0.00 H \r\n> ATOM 17653 2HB SER A 166 8.324 4.653 -4.845 1.00 0.00 H \r\n> ATOM 17654 HG SER A 166 9.220 4.134 -6.825 1.00 0.00 H \r\n> ATOM 17655 N ILE A 167 9.559 0.728 -5.036 1.00 0.00 N \r\n> ATOM 17656 CA ILE A 167 9.636 -0.611 -5.550 1.00 0.00 C \r\n> ATOM 17657 C ILE A 167 9.303 -1.595 -4.464 1.00 0.00 C \r\n> ATOM 17658 O ILE A 167 8.557 -2.546 -4.685 1.00 0.00 O \r\n> ATOM 17659 CB ILE A 167 11.036 -0.911 -6.117 1.00 0.00 C \r\n> ATOM 17660 CG1 ILE A 167 11.306 -0.051 -7.354 1.00 0.00 C \r\n> ATOM 17661 CG2 ILE A 167 11.169 -2.389 -6.452 1.00 0.00 C \r\n> ATOM 17662 CD1 ILE A 167 12.748 -0.068 -7.806 1.00 0.00 C \r\n> ATOM 17663 H ILE A 167 10.402 1.278 -4.966 1.00 0.00 H \r\n> ATOM 17664 HA ILE A 167 8.921 -0.710 -6.366 1.00 0.00 H \r\n> ATOM 17665 HB ILE A 167 11.792 -0.646 -5.378 1.00 0.00 H \r\n> ATOM 17666 1HG1 ILE A 167 10.686 -0.398 -8.180 1.00 0.00 H \r\n> ATOM 17667 2HG1 ILE A 167 11.027 0.983 -7.148 1.00 0.00 H \r\n> ATOM 17668 1HG2 ILE A 167 12.164 -2.583 -6.852 1.00 0.00 H \r\n> ATOM 17669 2HG2 ILE A 167 11.018 -2.980 -5.551 1.00 0.00 H \r\n> ATOM 17670 3HG2 ILE A 167 10.419 -2.661 -7.194 1.00 0.00 H \r\n> ATOM 17671 1HD1 ILE A 167 12.861 0.564 -8.687 1.00 0.00 H \r\n> ATOM 17672 2HD1 ILE A 167 13.386 0.308 -7.005 1.00 0.00 H \r\n> ATOM 17673 3HD1 ILE A 167 13.041 -1.088 -8.053 1.00 0.00 H \r\n> ATOM 17674 N LEU A 168 9.854 -1.375 -3.251 1.00 0.00 N \r\n> ATOM 17675 CA LEU A 168 9.587 -2.201 -2.106 1.00 0.00 C \r\n> ATOM 17676 C LEU A 168 8.104 -2.311 -1.921 1.00 0.00 C \r\n> ATOM 17677 O LEU A 168 7.561 -3.397 -1.727 1.00 0.00 O \r\n> ATOM 17678 CB LEU A 168 10.235 -1.617 -0.844 1.00 0.00 C \r\n> ATOM 17679 CG LEU A 168 9.990 -2",
"state": "failed"
},
"ligand_dock_grid": {
"log": "",
"state": "passed"
},
"ligand_dock_script": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/ligand_dock_script/log and /home/benchmark/working_dir/master:61968/ligand_dock_script/log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/ligand_dock_script/log /home/benchmark/working_dir/master:61968/ligand_dock_script/log\r\n151a152,155\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n183a188,191\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"ligand_motif_design": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/ligand_motif_design/design.log and /home/benchmark/working_dir/master:61968/ligand_motif_design/design.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/ligand_motif_design/design.log /home/benchmark/working_dir/master:61968/ligand_motif_design/design.log\r\n96,103d95\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 28\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 39\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 40\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 41\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 46\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 58\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 59\r\n< protocols.motifs.LigandMotifSearch: In init, Design position: 60\r\n109c101\r\n< Total 3 atoms in unpruned indices list is: 114\r\n---\r\n> protocols.motifs.LigandMotifSearch: Total 3 atoms in unpruned indices list is: 114\r\n",
"state": "failed"
},
"ligand_motif_discovery": {
"log": "Brief Diff:\ndiff: /home/benchmark/working_dir/master:61967/ligand_motif_discovery: No such file or directory\r\n",
"state": "failed"
},
"ligand_water_docking": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/ligand_water_docking/ligand_centric_log and /home/benchmark/working_dir/master:61968/ligand_water_docking/ligand_centric_log differ\r\nFiles /home/benchmark/working_dir/master:61967/ligand_water_docking/protein_centric_log and /home/benchmark/working_dir/master:61968/ligand_water_docking/protein_centric_log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/ligand_water_docking/ligand_centric_log /home/benchmark/working_dir/master:61968/ligand_water_docking/ligand_centric_log\r\n136a137,140\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n151a156,159\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/ligand_water_docking/protein_centric_log /home/benchmark/working_dir/master:61968/ligand_water_docking/protein_centric_log\r\n136a137,140\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n151a156,159\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"longest_continuous_polar_segment_filter": {
"log": "",
"state": "passed"
},
"loop_creation": {
"log": "",
"state": "passed"
},
"loop_grower_N_term_symm": {
"log": "",
"state": "passed"
},
"loop_hash": {
"log": "",
"state": "passed"
},
"loop_modeling": {
"log": "",
"state": "passed"
},
"make_and_perturb_bundle_multirepeat": {
"log": "",
"state": "passed"
},
"make_exemplar": {
"log": "",
"state": "passed"
},
"make_mainchain_potential": {
"log": "",
"state": "passed"
},
"make_mainchain_potential_symm": {
"log": "",
"state": "passed"
},
"make_mainchain_potential_symm_preproline": {
"log": "",
"state": "passed"
},
"make_rot_lib": {
"log": "",
"state": "passed"
},
"make_symmdef_file": {
"log": "",
"state": "passed"
},
"match_1c2t": {
"log": "",
"state": "passed"
},
"match_1n9l": {
"log": "",
"state": "passed"
},
"match_6cpa": {
"log": "",
"state": "passed"
},
"match_xml": {
"log": "",
"state": "passed"
},
"measure_lcaa_radii": {
"log": "",
"state": "passed"
},
"membrane_abinitio": {
"log": "",
"state": "passed"
},
"metal_setup": {
"log": "",
"state": "passed"
},
"metalloprotein_abrelax": {
"log": "",
"state": "passed"
},
"metalloprotein_broker": {
"log": "",
"state": "passed"
},
"metropolis_hastings": {
"log": "",
"state": "passed"
},
"mf_fixbb_des": {
"log": "",
"state": "passed"
},
"mf_fixbb_sc": {
"log": "",
"state": "passed"
},
"mf_flexbb_sc": {
"log": "",
"state": "passed"
},
"mg_modeler": {
"log": "",
"state": "passed"
},
"mg_modeler_lores": {
"log": "",
"state": "passed"
},
"mhc_epitope": {
"log": "",
"state": "passed"
},
"mhc_epitope_nmer_preload": {
"log": "",
"state": "passed"
},
"min_pack_min": {
"log": "",
"state": "passed"
},
"minimize_6Dloopclose": {
"log": "",
"state": "passed"
},
"minimize_with_elec_dens": {
"log": "",
"state": "passed"
},
"mirror_symm": {
"log": "",
"state": "passed"
},
"mixed_monte_carlo": {
"log": "",
"state": "passed"
},
"mm_params": {
"log": "",
"state": "passed"
},
"mmtfIO_score_test": {
"log": "",
"state": "passed"
},
"molfile_to_params": {
"log": "",
"state": "passed"
},
"molfile_to_params_polymer": {
"log": "",
"state": "passed"
},
"motif_dna_packer_design": {
"log": "",
"state": "passed"
},
"motif_extraction": {
"log": "",
"state": "passed"
},
"motif_score_filter": {
"log": "",
"state": "passed"
},
"mp_dock": {
"log": "",
"state": "passed"
},
"mp_dock_prepack": {
"log": "",
"state": "passed"
},
"mp_dock_setup": {
"log": "",
"state": "passed"
},
"mp_domain_assembly": {
"log": "",
"state": "passed"
},
"mp_domain_assembly_FtsQ": {
"log": "",
"state": "passed"
},
"mp_find_interface": {
"log": "",
"state": "passed"
},
"mp_interface_statistics": {
"log": "",
"state": "passed"
},
"mp_ligand_interface": {
"log": "",
"state": "passed"
},
"mp_loadtime": {
"log": "",
"state": "passed"
},
"mp_mutate_relax": {
"log": "",
"state": "passed"
},
"mp_mutate_repack": {
"log": "",
"state": "passed"
},
"mp_quick_relax": {
"log": "",
"state": "passed"
},
"mp_quick_relax_ref2015_memb": {
"log": "",
"state": "passed"
},
"mp_range_relax": {
"log": "",
"state": "passed"
},
"mp_relax": {
"log": "",
"state": "passed"
},
"mp_score_jd2": {
"log": "",
"state": "passed"
},
"mp_span_ang_ref2015_memb": {
"log": "",
"state": "passed"
},
"mp_span_from_pdb": {
"log": "",
"state": "passed"
},
"mp_symdock": {
"log": "",
"state": "passed"
},
"mp_symmetry_load": {
"log": "",
"state": "passed"
},
"mp_transform": {
"log": "",
"state": "passed"
},
"mp_transform_optimize": {
"log": "",
"state": "passed"
},
"mp_vis_emb": {
"log": "",
"state": "passed"
},
"mpi_multistate_design": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_4level": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_computing_pnear_to_all": {
"log": "",
"state": "passed"
},
"mpil_find_pore_ahelical": {
"log": "",
"state": "passed"
},
"mpil_find_pore_bbarrel": {
"log": "",
"state": "passed"
},
"mpil_load_implicit_lipids": {
"log": "",
"state": "passed"
},
"mr_protocols": {
"log": "",
"state": "passed"
},
"multistage_rosetta_scripts": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/multistage_rosetta_scripts/info.log and /home/benchmark/working_dir/master:61968/multistage_rosetta_scripts/info.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/multistage_rosetta_scripts/info.log /home/benchmark/working_dir/master:61968/multistage_rosetta_scripts/info.log\r\n78a79,82\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n244a249,252\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"multistage_rosetta_scripts_clustering": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/multistage_rosetta_scripts_clustering/info.log and /home/benchmark/working_dir/master:61968/multistage_rosetta_scripts_clustering/info.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/multistage_rosetta_scripts_clustering/info.log /home/benchmark/working_dir/master:61968/multistage_rosetta_scripts_clustering/info.log\r\n78a79,82\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n244a249,252\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"multithreaded_fastdesign": {
"log": "",
"state": "passed"
},
"multithreaded_fixbb": {
"log": "",
"state": "passed"
},
"multithreaded_interaction_graph_accuracy": {
"log": "",
"state": "passed"
},
"multithreaded_interaction_graph_accuracy_symm": {
"log": "",
"state": "passed"
},
"multithreaded_packrotamersmover": {
"log": "",
"state": "passed"
},
"mutate": {
"log": "",
"state": "passed"
},
"ncaa_fixbb": {
"log": "",
"state": "passed"
},
"ncbb_packer_palette": {
"log": "",
"state": "passed"
},
"netcharge_design": {
"log": "",
"state": "passed"
},
"netcharge_design_symm": {
"log": "",
"state": "passed"
},
"next_generation_KIC": {
"log": "",
"state": "passed"
},
"noe_assignment": {
"log": "",
"state": "passed"
},
"non-canonical_connectivities": {
"log": "",
"state": "passed"
},
"nonideal_rtmin": {
"log": "",
"state": "passed"
},
"nucleobase_sample_around": {
"log": "",
"state": "passed"
},
"number_of_residuetypes": {
"log": "",
"state": "passed"
},
"oligourea_design": {
"log": "",
"state": "passed"
},
"oligourea_predict": {
"log": "",
"state": "passed"
},
"oop_create": {
"log": "",
"state": "passed"
},
"oop_design": {
"log": "",
"state": "passed"
},
"oop_dock_design": {
"log": "",
"state": "passed"
},
"orbitals": {
"log": "",
"state": "passed"
},
"output_schema": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/output_schema/log and /home/benchmark/working_dir/master:61968/output_schema/log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/output_schema/log /home/benchmark/working_dir/master:61968/output_schema/log\r\n88a89,92\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"pH_mode": {
"log": "",
"state": "passed"
},
"pepspec_anchor_dock": {
"log": "",
"state": "passed"
},
"peptiderive": {
"log": "",
"state": "passed"
},
"per_residue_energies": {
"log": "",
"state": "passed"
},
"per_residue_sc_sasa": {
"log": "",
"state": "passed"
},
"per_residue_solvent_exposure": {
"log": "",
"state": "passed"
},
"pertmin": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_copying_pitch": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_epsilon": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_setting": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_z_offset": {
"log": "",
"state": "passed"
},
"phiselector": {
"log": "",
"state": "passed"
},
"phosphonate": {
"log": "",
"state": "passed"
},
"phosphorylation": {
"log": "",
"state": "passed"
},
"place_simultaneously": {
"log": "",
"state": "passed"
},
"pmut_scan": {
"log": "",
"state": "passed"
},
"pna": {
"log": "",
"state": "passed"
},
"pna_base_pairs": {
"log": "",
"state": "passed"
},
"pocket_measure": {
"log": "",
"state": "passed"
},
"pocket_relax": {
"log": "",
"state": "passed"
},
"pocket_suggest_targets": {
"log": "",
"state": "passed"
},
"polyaramid_test_trivial": {
"log": "",
"state": "passed"
},
"pose_sewing": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/pose_sewing/pose_sewing_log and /home/benchmark/working_dir/master:61968/pose_sewing/pose_sewing_log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/pose_sewing/pose_sewing_log /home/benchmark/working_dir/master:61968/pose_sewing/pose_sewing_log\r\n78a79,82\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n244a249,252\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"posttranslationalmod_io": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteA": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteB": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteC": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteD": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteE": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteF": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteG": {
"log": "",
"state": "passed"
},
"ppk": {
"log": "",
"state": "passed"
},
"protocol_metric": {
"log": "",
"state": "passed"
},
"pwsho": {
"log": "",
"state": "passed"
},
"pymol_cif": {
"log": "",
"state": "passed"
},
"r_pdb2top": {
"log": "",
"state": "passed"
},
"r_rmsf": {
"log": "",
"state": "passed"
},
"ralford_dump_rotamers": {
"log": "",
"state": "passed"
},
"rama_mutation_selector": {
"log": "",
"state": "passed"
},
"range_relax_w_cst": {
"log": "",
"state": "passed"
},
"rb_recces": {
"log": "",
"state": "passed"
},
"rdkit_metrics": {
"log": "",
"state": "passed"
},
"read_polymeric_components": {
"log": "",
"state": "passed"
},
"readin_dna_rna_protein": {
"log": "",
"state": "passed"
},
"real_virt_mover": {
"log": "",
"state": "passed"
},
"recces_turner": {
"log": "",
"state": "passed"
},
"recon_design": {
"log": "",
"state": "passed"
},
"recon_design_mpi": {
"log": "",
"state": "passed"
},
"referencepose_mutateresidue": {
"log": "",
"state": "passed"
},
"relax_w_allatom_cst": {
"log": "",
"state": "passed"
},
"remodel_disulfides_rosettascripts": {
"log": "",
"state": "passed"
},
"remodel_helical_repeat": {
"log": "",
"state": "passed"
},
"repack_with_elec_dens": {
"log": "",
"state": "passed"
},
"repeat_propagate": {
"log": "",
"state": "passed"
},
"repeat_propagate_v2": {
"log": "",
"state": "passed"
},
"repeat_propagate_v3": {
"log": "",
"state": "passed"
},
"repeat_relax": {
"log": "",
"state": "passed"
},
"replica_docking": {
"log": "",
"state": "passed"
},
"report_hbonds_for_plugin": {
"log": "",
"state": "passed"
},
"res_lipo_ref2015_memb": {
"log": "",
"state": "passed"
},
"residue_energy_breakdown": {
"log": "",
"state": "passed"
},
"resource_database_locator": {
"log": "",
"state": "passed"
},
"restype_converter": {
"log": "",
"state": "passed"
},
"rings": {
"log": "",
"state": "passed"
},
"rna_add_WC_stats": {
"log": "",
"state": "passed"
},
"rna_assemble": {
"log": "",
"state": "passed"
},
"rna_cluster": {
"log": "",
"state": "passed"
},
"rna_denovo": {
"log": "",
"state": "passed"
},
"rna_denovo_RNP_low_res": {
"log": "",
"state": "passed"
},
"rna_denovo_RNP_refine_native": {
"log": "",
"state": "passed"
},
"rna_denovo_base_pair_constraints": {
"log": "",
"state": "passed"
},
"rna_denovo_base_pair_setup": {
"log": "",
"state": "passed"
},
"rna_denovo_bps": {
"log": "",
"state": "passed"
},
"rna_denovo_bps_fixed_ends": {
"log": "",
"state": "passed"
},
"rna_denovo_bps_helix_ends": {
"log": "",
"state": "passed"
},
"rna_denovo_dna_bridge": {
"log": "",
"state": "passed"
},
"rna_denovo_fragment_homology_exclusion": {
"log": "",
"state": "passed"
},
"rna_denovo_grid_vdw": {
"log": "",
"state": "passed"
},
"rna_denovo_lariat": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_2in_dens": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_5P_j12_leadzyme": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_RNP_2prot_dens": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_rna_two_chains": {
"log": "",
"state": "passed"
},
"rna_denovo_new_libs": {
"log": "",
"state": "passed"
},
"rna_denovo_symm_hack": {
"log": "",
"state": "passed"
},
"rna_design": {
"log": "",
"state": "passed"
},
"rna_farfar_block_stack": {
"log": "",
"state": "passed"
},
"rna_farfar_noncanonical_hairpin": {
"log": "",
"state": "passed"
},
"rna_farfar_syn_chi_res": {
"log": "",
"state": "passed"
},
"rna_helix": {
"log": "",
"state": "passed"
},
"rna_minimize": {
"log": "",
"state": "passed"
},
"rna_minimize_6D_loop_close": {
"log": "",
"state": "passed"
},
"rna_motif": {
"log": "",
"state": "passed"
},
"rna_predict_chem_map": {
"log": "",
"state": "passed"
},
"rna_puzzle11_H2H3H4_run3_connectU40": {
"log": "",
"state": "passed"
},
"rna_puzzle12_P5P6P7_DMS": {
"log": "",
"state": "passed"
},
"rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation": {
"log": "",
"state": "passed"
},
"rna_puzzle5_p2_GAAA_mini": {
"log": "",
"state": "passed"
},
"rna_puzzle6_U75G76A77_on_thread1": {
"log": "",
"state": "passed"
},
"rna_puzzle6_j67_into_p6p7rigidbody_thread1": {
"log": "",
"state": "passed"
},
"rna_ribosome_tether": {
"log": "",
"state": "passed"
},
"rna_score": {
"log": "",
"state": "passed"
},
"rna_screen_phosphates": {
"log": "",
"state": "passed"
},
"rna_suitename": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_mut": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_setup": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_wt": {
"log": "",
"state": "passed"
},
"rnp_ddg_finalize": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_command_1": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_command_2": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_finalize": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_setup": {
"log": "",
"state": "passed"
},
"rollmover": {
"log": "",
"state": "passed"
},
"rosetta_scripts_hbond_options": {
"log": "",
"state": "passed"
},
"rosetta_scripts_include": {
"log": "",
"state": "passed"
},
"rosetta_scripts_info": {
"log": "",
"state": "passed"
},
"rosetta_scripts_jd3": {
"log": "",
"state": "passed"
},
"rosetta_scripts_loops": {
"log": "",
"state": "passed"
},
"rosetta_scripts_setup": {
"log": "",
"state": "passed"
},
"rosie_ligand_docking": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/rosie_ligand_docking/output/trigger-00001.ligand_docking_protocol/dock.log and /home/benchmark/working_dir/master:61968/rosie_ligand_docking/output/trigger-00001.ligand_docking_protocol/dock.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/rosie_ligand_docking/output/trigger-00001.ligand_docking_protocol/dock.log /home/benchmark/working_dir/master:61968/rosie_ligand_docking/output/trigger-00001.ligand_docking_protocol/dock.log\r\n146a147,150\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n155a160,163\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n",
"state": "failed"
},
"rotamer_probability": {
"log": "",
"state": "passed"
},
"rotamer_recovery": {
"log": "",
"state": "passed"
},
"rotamer_recovery_compare_two_structures": {
"log": "",
"state": "passed"
},
"rs_flexbbmoves": {
"log": "",
"state": "passed"
},
"rs_loophash": {
"log": "",
"state": "passed"
},
"sasa_metric_options": {
"log": "",
"state": "passed"
},
"score12_docking": {
"log": "",
"state": "passed"
},
"score_aln": {
"log": "",
"state": "passed"
},
"score_jd2": {
"log": "",
"state": "passed"
},
"score_only_silence": {
"log": "",
"state": "passed"
},
"sdf_reader": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61967/sdf_reader/7cpa_input_0001.pdb and /home/benchmark/working_dir/master:61968/sdf_reader/7cpa_input_0001.pdb differ\r\nFiles /home/benchmark/working_dir/master:61967/sdf_reader/log and /home/benchmark/working_dir/master:61968/sdf_reader/log differ\r\nFiles /home/benchmark/working_dir/master:61967/sdf_reader/score.sc and /home/benchmark/working_dir/master:61968/sdf_reader/score.sc differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/sdf_reader/7cpa_input_0001.pdb /home/benchmark/working_dir/master:61968/sdf_reader/7cpa_input_0001.pdb\r\n1085,1215c1085,1215\r\n< ATOM 1070 N ILE A 68 -3.534 19.892 -6.806 1.00 0.00 N \r\n< ATOM 1071 CA ILE A 68 -2.155 19.904 -7.234 1.00 0.00 C \r\n< ATOM 1072 C ILE A 68 -1.378 20.851 -6.293 1.00 0.00 C \r\n< ATOM 1073 O ILE A 68 -0.152 20.818 -6.211 1.00 0.00 O \r\n< ATOM 1074 CB ILE A 68 -2.026 20.360 -8.699 1.00 0.00 C \r\n< ATOM 1075 CG1 ILE A 68 -0.640 20.009 -9.247 1.00 0.00 C \r\n< ATOM 1076 CG2 ILE A 68 -2.285 21.854 -8.816 1.00 0.00 C \r\n< ATOM 1077 CD1 ILE A 68 -0.511 20.192 -10.742 1.00 0.00 C \r\n< ATOM 1078 H ILE A 68 -4.216 20.424 -7.328 1.00 0.00 H \r\n< ATOM 1079 HA ILE A 68 -1.707 18.919 -7.112 1.00 0.00 H \r\n< ATOM 1080 HB ILE A 68 -2.752 19.825 -9.311 1.00 0.00 H \r\n< ATOM 1081 1HG1 ILE A 68 0.111 20.629 -8.761 1.00 0.00 H \r\n< ATOM 1082 2HG1 ILE A 68 -0.408 18.970 -9.011 1.00 0.00 H \r\n< ATOM 1083 1HG2 ILE A 68 -2.190 22.159 -9.858 1.00 0.00 H \r\n< ATOM 1084 2HG2 ILE A 68 -3.292 22.076 -8.464 1.00 0.00 H \r\n< ATOM 1085 3HG2 ILE A 68 -1.560 22.398 -8.211 1.00 0.00 H \r\n< ATOM 1086 1HD1 ILE A 68 0.499 19.923 -11.055 1.00 0.00 H \r\n< ATOM 1087 2HD1 ILE A 68 -1.231 19.552 -11.251 1.00 0.00 H \r\n< ATOM 1088 3HD1 ILE A 68 -0.704 21.233 -10.999 1.00 0.00 H \r\n< ATOM 1089 N HIS A 69 -2.000 21.680 -5.350 1.00 0.00 N \r\n< ATOM 1090 CA HIS A 69 -1.255 22.276 -4.226 1.00 0.00 C \r\n< ATOM 1091 C HIS A 69 -1.921 21.601 -3.043 1.00 0.00 C \r\n< ATOM 1092 O HIS A 69 -3.129 21.730 -2.846 1.00 0.00 O \r\n< ATOM 1093 CB HIS A 69 -1.368 23.802 -4.152 1.00 0.00 C \r\n< ATOM 1094 CG HIS A 69 -0.634 24.513 -5.247 1.00 0.00 C \r\n< ATOM 1095 ND1 HIS A 69 -1.064 25.714 -5.772 1.00 0.00 N \r\n< ATOM 1096 CD2 HIS A 69 0.498 24.193 -5.916 1.00 0.00 C \r\n< ATOM 1097 CE1 HIS A 69 -0.225 26.103 -6.717 1.00 0.00 C \r\n< ATOM 1098 NE2 HIS A 69 0.730 25.197 -6.824 1.00 0.00 N \r\n< ATOM 1099 H HIS A 69 -2.988 21.866 -5.439 1.00 0.00 H \r\n< ATOM 1100 HA HIS A 69 -0.191 22.068 -4.341 1.00 0.00 H \r\n< ATOM 1101 1HB HIS A 69 -2.418 24.092 -4.201 1.00 0.00 H \r\n< ATOM 1102 2HB HIS A 69 -0.976 24.150 -3.197 1.00 0.00 H \r\n< ATOM 1103 HD2 HIS A 69 1.111 23.304 -5.764 1.00 0.00 H \r\n< ATOM 1104 HE1 HIS A 69 -0.308 27.015 -7.307 1.00 0.00 H \r\n< ATOM 1105 HE2 HIS A 69 1.508 25.232 -7.467 1.00 0.00 H \r\n< ATOM 1106 N SER A 70 -1.163 20.869 -2.229 1.00 0.00 N \r\n< ATOM 1107 CA SER A 70 -1.764 19.969 -1.266 1.00 0.00 C \r\n< ATOM 1108 C SER A 70 -2.535 20.560 -0.080 1.00 0.00 C \r\n< ATOM 1109 O SER A 70 -3.504 19.934 0.348 1.00 0.00 O \r\n< ATOM 1110 CB SER A 70 -0.662 19.081 -0.722 1.00 0.00 C \r\n< ATOM 1111 OG SER A 70 0.377 19.847 -0.176 1.00 0.00 O \r\n< ATOM 1112 H SER A 70 -0.156 20.937 -2.279 1.00 0.00 H \r\n< ATOM 1113 HA SER A 70 -2.500 19.294 -1.705 1.00 0.00 H \r\n< ATOM 1114 1HB SER A 70 -1.071 18.421 0.042 1.00 0.00 H \r\n< ATOM 1115 2HB SER A 70 -0.273 18.453 -1.522 1.00 0.00 H \r\n< ATOM 1116 HG SER A 70 -0.046 20.573 0.289 1.00 0.00 H \r\n< ATOM 1117 N ARG A 71 -2.207 21.761 0.417 1.00 0.00 N \r\n< ATOM 1118 CA ARG A 71 -2.907 22.347 1.549 1.00 0.00 C \r\n< ATOM 1119 C ARG A 71 -4.289 22.878 1.206 1.00 0.00 C \r\n< ATOM 1120 O ARG A 71 -5.069 23.158 2.107 1.00 0.00 O \r\n< ATOM 1121 CB ARG A 71 -2.080 23.481 2.137 1.00 0.00 C \r\n< ATOM 1122 CG ARG A 71 -1.776 24.618 1.174 1.00 0.00 C \r\n< ATOM 1123 CD ARG A 71 -0.700 25.501 1.689 1.00 0.00 C \r\n< ATOM 1124 NE ARG A 71 -0.387 26.574 0.759 1.00 0.00 N \r\n< ATOM 1125 CZ ARG A 71 0.709 27.355 0.833 1.00 0.00 C \r\n< ATOM 1126 NH1 ARG A 71 1.584 27.171 1.796 1.00 0.00 N \r\n< ATOM 1127 NH2 ARG A 71 0.903 28.307 -0.064 1.00 0.00 N \r\n< ATOM 1128 H ARG A 71 -1.449 22.272 -0.011 1.00 0.00 H \r\n< ATOM 1129 HA ARG A 71 -3.012 21.606 2.342 1.00 0.00 H \r\n< ATOM 1130 1HB ARG A 71 -2.603 23.906 2.993 1.00 0.00 H \r\n< ATOM 1131 2HB ARG A 71 -1.128 23.090 2.496 1.00 0.00 H \r\n< ATOM 1132 1HG ARG A 71 -1.454 24.207 0.217 1.00 0.00 H \r\n< ATOM 1133 2HG ARG A 71 -2.673 25.220 1.027 1.00 0.00 H \r\n< ATOM 1134 1HD ARG A 71 -1.016 25.949 2.631 1.00 0.00 H \r\n< ATOM 1135 2HD ARG A 71 0.205 24.916 1.851 1.00 0.00 H \r\n< ATOM 1136 HE ARG A 71 -1.037 26.746 0.004 1.00 0.00 H \r\n< ATOM 1137 1HH1 ARG A 71 1.435 26.444 2.481 1.00 0.00 H \r\n< ATOM 1138 2HH1 ARG A 71 2.405 27.757 1.851 1.00 0.00 H \r\n< ATOM 1139 1HH2 ARG A 71 0.230 28.448 -0.805 1.00 0.00 H \r\n< ATOM 1140 2HH2 ARG A 71 1.723 28.892 -0.009 1.00 0.00 H \r\n< ATOM 1141 N GLU A 72 -4.619 22.965 -0.085 1.00 0.00 N \r\n< ATOM 1142 CA GLU A 72 -5.906 23.497 -0.502 1.00 0.00 C \r\n< ATOM 1143 C GLU A 72 -6.971 22.402 -0.365 1.00 0.00 C \r\n< ATOM 1144 O GLU A 72 -7.568 21.967 -1.354 1.00 0.00 O \r\n< ATOM 1145 CB GLU A 72 -5.841 24.006 -1.944 1.00 0.00 C \r\n< ATOM 1146 CG GLU A 72 -4.879 25.166 -2.157 1.00 0.00 C \r\n< ATOM 1147 CD GLU A 72 -4.497 25.352 -3.600 1.00 0.00 C \r\n< ATOM 1148 OE1 GLU A 72 -4.900 24.551 -4.409 1.00 0.00 O \r\n< ATOM 1149 OE2 GLU A 72 -3.802 26.296 -3.893 1.00 0.00 O \r\n< ATOM 1150 H GLU A 72 -3.963 22.657 -0.788 1.00 0.00 H \r\n< ATOM 1151 HA GLU A 72 -6.190 24.328 0.144 1.00 0.00 H \r\n< ATOM 1152 1HB GLU A 72 -5.536 23.194 -2.603 1.00 0.00 H \r\n< ATOM 1153 2HB GLU A 72 -6.832 24.331 -2.260 1.00 0.00 H \r\n< ATOM 1154 1HG GLU A 72 -5.345 26.083 -1.796 1.00 0.00 H \r\n< ATOM 1155 2HG GLU A 72 -3.979 24.992 -1.568 1.00 0.00 H \r\n< ATOM 1156 N TRP A 73 -7.241 21.958 0.885 1.00 0.00 N \r\n< ATOM 1157 CA TRP A 73 -8.130 20.823 1.145 1.00 0.00 C \r\n< ATOM 1158 C TRP A 73 -9.531 20.900 0.620 1.00 0.00 C \r\n< ATOM 1159 O TRP A 73 -10.130 19.854 0.392 1.00 0.00 O \r\n< ATOM 1160 CB TRP A 73 -8.208 20.585 2.654 1.00 0.00 C \r\n< ATOM 1161 CG TRP A 73 -6.986 19.927 3.220 1.00 0.00 C \r\n< ATOM 1162 CD1 TRP A 73 -5.910 19.466 2.521 1.00 0.00 C \r\n< ATOM 1163 CD2 TRP A 73 -6.714 19.657 4.601 1.00 0.00 C \r\n< ATOM 1164 NE1 TRP A 73 -4.985 18.925 3.379 1.00 0.00 N \r\n< ATOM 1165 CE2 TRP A 73 -5.456 19.031 4.663 1.00 0.00 C \r\n< ATOM 1166 CE3 TRP A 73 -7.415 19.885 5.791 1.00 0.00 C \r\n< ATOM 1167 CZ2 TRP A 73 -4.884 18.630 5.860 1.00 0.00 C \r\n< ATOM 1168 CZ3 TRP A 73 -6.841 19.484 6.992 1.00 0.00 C \r\n< ATOM 1169 CH2 TRP A 73 -5.612 18.875 7.025 1.00 0.00 C \r\n< ATOM 1170 H TRP A 73 -6.809 22.433 1.665 1.00 0.00 H \r\n< ATOM 1171 HA TRP A 73 -7.738 19.928 0.662 1.00 0.00 H \r\n< ATOM 1172 1HB TRP A 73 -8.323 21.533 3.180 1.00 0.00 H \r\n< ATOM 1173 2HB TRP A 73 -9.050 19.935 2.889 1.00 0.00 H \r\n< ATOM 1174 HD1 TRP A 73 -5.937 19.587 1.440 1.00 0.00 H \r\n< ATOM 1175 HE1 TRP A 73 -4.103 18.514 3.110 1.00 0.00 H \r\n< ATOM 1176 HE3 TRP A 73 -8.392 20.367 5.822 1.00 0.00 H \r\n< ATOM 1177 HZ2 TRP A 73 -3.906 18.150 5.842 1.00 0.00 H \r\n< ATOM 1178 HZ3 TRP A 73 -7.397 19.667 7.912 1.00 0.00 H \r\n< ATOM 1179 HH2 TRP A 73 -5.197 18.576 7.988 1.00 0.00 H \r\n< ATOM 1180 N ILE A 74 -10.105 22.086 0.469 1.00 0.00 N \r\n< ATOM 1181 CA ILE A 74 -11.447 22.173 -0.078 1.00 0.00 C \r\n< ATOM 1182 C ILE A 74 -11.421 21.660 -1.514 1.00 0.00 C \r\n< ATOM 1183 O ILE A 74 -12.471 21.198 -1.996 1.00 0.00 O \r\n< ATOM 1184 CB ILE A 74 -11.995 23.611 -0.045 1.00 0.00 C \r\n< ATOM 1185 CG1 ILE A 74 -13.464 23.633 -0.476 1.00 0.00 C \r\n< ATOM 1186 CG2 ILE A 74 -11.162 24.518 -0.938 1.00 0.00 C \r\n< ATOM 1187 CD1 ILE A 74 -14.356 22.733 0.350 1.00 0.00 C \r\n< ATOM 1188 H ILE A 74 -9.624 22.935 0.729 1.00 0.00 H \r\n< ATOM 1189 HA ILE A 74 -12.127 21.518 0.466 1.00 0.00 H \r\n< ATOM 1190 HB ILE A 74 -11.963 23.981 0.979 1.00 0.00 H \r\n< ATOM 1191 1HG1 ILE A 74 -13.811 24.662 -0.394 1.00 0.00 H \r\n< ATOM 1192 2HG1 ILE A 74 -13.500 23.320 -1.520 1.00 0.00 H \r\n< ATOM 1193 1HG2 ILE A 74 -11.563 25.531 -0.904 1.00 0.00 H \r\n< ATOM 1194 2HG2 ILE A 74 -10.131 24.525 -0.588 1.00 0.00 H \r\n< ATOM 1195 3HG2 ILE A 74 -11.195 24.150 -1.963 1.00 0.00 H \r\n< ATOM 1196 1HD1 ILE A 74 -15.381 22.802 -0.015 1.00 0.00 H \r\n< ATOM 1197 2HD1 ILE A 74 -14.010 21.702 0.267 1.00 0.00 H \r\n< ATOM 1198 3HD1 ILE A 74 -14.322 23.045 1.393 1.00 0.00 H \r\n< ATOM 1199 N THR A 75 -10.266 21.694 -2.219 1.00 0.00 N \r\n< ATOM 1200 CA THR A 75 -10.313 21.211 -3.589 1.00 0.00 C \r\n---\r\n> ATOM 1070 N ILE A 68 -3.466 19.942 -6.805 1.00 0.00 N \r\n> ATOM 1071 CA ILE A 68 -2.091 19.966 -7.245 1.00 0.00 C \r\n> ATOM 1072 C ILE A 68 -1.259 20.675 -6.154 1.00 0.00 C \r\n> ATOM 1073 O ILE A 68 -0.075 20.403 -5.964 1.00 0.00 O \r\n> ATOM 1074 CB ILE A 68 -1.931 20.684 -8.597 1.00 0.00 C \r\n> ATOM 1075 CG1 ILE A 68 -0.587 20.325 -9.237 1.00 0.00 C \r\n> ATOM 1076 CG2 ILE A 68 -2.052 22.189 -8.418 1.00 0.00 C \r\n> ATOM 1077 CD1 ILE A 68 -0.468 20.743 -10.685 1.00 0.00 C \r\n> ATOM 1078 H ILE A 68 -4.158 20.461 -7.326 1.00 0.00 H \r\n> ATOM 1079 HA ILE A 68 -1.694 18.954 -7.321 1.00 0.00 H \r\n> ATOM 1080 HB ILE A 68 -2.706 20.336 -9.279 1.00 0.00 H \r\n> ATOM 1081 1HG1 ILE A 68 0.191 20.815 -8.652 1.00 0.00 H \r\n> ATOM 1082 2HG1 ILE A 68 -0.471 19.243 -9.161 1.00 0.00 H \r\n> ATOM 1083 1HG2 ILE A 68 -1.936 22.682 -9.383 1.00 0.00 H \r\n> ATOM 1084 2HG2 ILE A 68 -3.032 22.428 -8.005 1.00 0.00 H \r\n> ATOM 1085 3HG2 ILE A 68 -1.277 22.539 -7.737 1.00 0.00 H \r\n> ATOM 1086 1HD1 ILE A 68 0.511 20.454 -11.069 1.00 0.00 H \r\n> ATOM 1087 2HD1 ILE A 68 -1.246 20.252 -11.271 1.00 0.00 H \r\n> ATOM 1088 3HD1 ILE A 68 -0.582 21.823 -10.763 1.00 0.00 H \r\n> ATOM 1089 N HIS A 69 -1.883 21.556 -5.356 1.00 0.00 N \r\n> ATOM 1090 CA HIS A 69 -1.252 22.245 -4.216 1.00 0.00 C \r\n> ATOM 1091 C HIS A 69 -1.917 21.546 -3.046 1.00 0.00 C \r\n> ATOM 1092 O HIS A 69 -3.131 21.644 -2.866 1.00 0.00 O \r\n> ATOM 1093 CB HIS A 69 -1.584 23.779 -4.220 1.00 0.00 C \r\n> ATOM 1094 CG HIS A 69 -0.922 24.539 -5.399 1.00 0.00 C \r\n> ATOM 1095 ND1 HIS A 69 -1.455 25.445 -6.258 1.00 0.00 N \r\n> ATOM 1096 CD2 HIS A 69 0.381 24.277 -5.647 1.00 0.00 C \r\n> ATOM 1097 CE1 HIS A 69 -0.436 25.729 -7.059 1.00 0.00 C \r\n> ATOM 1098 NE2 HIS A 69 0.629 25.032 -6.699 1.00 0.00 N \r\n> ATOM 1099 H HIS A 69 -2.852 21.746 -5.569 1.00 0.00 H \r\n> ATOM 1100 HA HIS A 69 -0.169 22.128 -4.271 1.00 0.00 H \r\n> ATOM 1101 1HB HIS A 69 -2.660 23.931 -4.308 1.00 0.00 H \r\n> ATOM 1102 2HB HIS A 69 -1.226 24.243 -3.301 1.00 0.00 H \r\n> ATOM 1103 HD2 HIS A 69 1.166 23.643 -5.233 1.00 0.00 H \r\n> ATOM 1104 HE1 HIS A 69 -0.551 26.446 -7.871 1.00 0.00 H \r\n> ATOM 1105 HE2 HIS A 69 1.531 25.053 -7.150 1.00 0.00 H \r\n> ATOM 1106 N SER A 70 -1.153 20.827 -2.227 1.00 0.00 N \r\n> ATOM 1107 CA SER A 70 -1.745 19.939 -1.249 1.00 0.00 C \r\n> ATOM 1108 C SER A 70 -2.512 20.543 -0.066 1.00 0.00 C \r\n> ATOM 1109 O SER A 70 -3.477 19.920 0.375 1.00 0.00 O \r\n> ATOM 1110 CB SER A 70 -0.640 19.050 -0.711 1.00 0.00 C \r\n> ATOM 1111 OG SER A 70 0.449 19.793 -0.237 1.00 0.00 O \r\n> ATOM 1112 H SER A 70 -0.146 20.897 -2.283 1.00 0.00 H \r\n> ATOM 1113 HA SER A 70 -2.482 19.255 -1.674 1.00 0.00 H \r\n> ATOM 1114 1HB SER A 70 -1.042 18.449 0.104 1.00 0.00 H \r\n> ATOM 1115 2HB SER A 70 -0.300 18.393 -1.511 1.00 0.00 H \r\n> ATOM 1116 HG SER A 70 0.149 20.402 0.441 1.00 0.00 H \r\n> ATOM 1117 N ARG A 71 -2.185 21.751 0.413 1.00 0.00 N \r\n> ATOM 1118 CA ARG A 71 -2.881 22.351 1.541 1.00 0.00 C \r\n> ATOM 1119 C ARG A 71 -4.278 22.845 1.205 1.00 0.00 C \r\n> ATOM 1120 O ARG A 71 -5.067 23.087 2.110 1.00 0.00 O \r\n> ATOM 1121 CB ARG A 71 -2.090 23.528 2.101 1.00 0.00 C \r\n> ATOM 1122 CG ARG A 71 -1.892 24.626 1.057 1.00 0.00 C \r\n> ATOM 1123 CD ARG A 71 -0.827 25.619 1.502 1.00 0.00 C \r\n> ATOM 1124 NE ARG A 71 -0.604 26.654 0.502 1.00 0.00 N \r\n> ATOM 1125 CZ ARG A 71 0.503 27.382 0.575 1.00 0.00 C \r\n> ATOM 1126 NH1 ARG A 71 1.463 27.055 1.444 1.00 0.00 N \r\n> ATOM 1127 NH2 ARG A 71 0.687 28.413 -0.236 1.00 0.00 N \r\n> ATOM 1128 H ARG A 71 -1.431 22.259 -0.026 1.00 0.00 H \r\n> ATOM 1129 HA ARG A 71 -2.959 21.627 2.353 1.00 0.00 H \r\n> ATOM 1130 1HB ARG A 71 -2.645 23.905 2.958 1.00 0.00 H \r\n> ATOM 1131 2HB ARG A 71 -1.129 23.136 2.433 1.00 0.00 H \r\n> ATOM 1132 1HG ARG A 71 -1.591 24.162 0.118 1.00 0.00 H \r\n> ATOM 1133 2HG ARG A 71 -2.842 25.145 0.918 1.00 0.00 H \r\n> ATOM 1134 1HD ARG A 71 -1.147 26.091 2.431 1.00 0.00 H \r\n> ATOM 1135 2HD ARG A 71 0.107 25.084 1.670 1.00 0.00 H \r\n> ATOM 1136 HE ARG A 71 -1.180 26.928 -0.281 1.00 0.00 H \r\n> ATOM 1137 1HH1 ARG A 71 1.343 26.251 2.045 1.00 0.00 H \r\n> ATOM 1138 2HH1 ARG A 71 2.304 27.611 1.497 1.00 0.00 H \r\n> ATOM 1139 1HH2 ARG A 71 -0.022 28.649 -0.917 1.00 0.00 H \r\n> ATOM 1140 2HH2 ARG A 71 1.533 28.960 -0.171 1.00 0.00 H \r\n> ATOM 1141 N GLU A 72 -4.611 22.942 -0.084 1.00 0.00 N \r\n> ATOM 1142 CA GLU A 72 -5.904 23.463 -0.494 1.00 0.00 C \r\n> ATOM 1143 C GLU A 72 -6.958 22.357 -0.362 1.00 0.00 C \r\n> ATOM 1144 O GLU A 72 -7.545 21.915 -1.354 1.00 0.00 O \r\n> ATOM 1145 CB GLU A 72 -5.793 23.967 -1.942 1.00 0.00 C \r\n> ATOM 1146 CG GLU A 72 -4.761 25.107 -2.005 1.00 0.00 C \r\n> ATOM 1147 CD GLU A 72 -4.307 25.689 -3.353 1.00 0.00 C \r\n> ATOM 1148 OE1 GLU A 72 -4.905 25.521 -4.400 1.00 0.00 O \r\n> ATOM 1149 OE2 GLU A 72 -3.269 26.340 -3.377 1.00 0.00 O \r\n> ATOM 1150 H GLU A 72 -3.952 22.648 -0.791 1.00 0.00 H \r\n> ATOM 1151 HA GLU A 72 -6.195 24.287 0.159 1.00 0.00 H \r\n> ATOM 1152 1HB GLU A 72 -5.496 23.116 -2.554 1.00 0.00 H \r\n> ATOM 1153 2HB GLU A 72 -6.787 24.302 -2.241 1.00 0.00 H \r\n> ATOM 1154 1HG GLU A 72 -5.049 25.986 -1.431 1.00 0.00 H \r\n> ATOM 1155 2HG GLU A 72 -3.866 24.665 -1.567 1.00 0.00 H \r\n> ATOM 1156 N TRP A 73 -7.229 21.911 0.887 1.00 0.00 N \r\n> ATOM 1157 CA TRP A 73 -8.129 20.783 1.144 1.00 0.00 C \r\n> ATOM 1158 C TRP A 73 -9.530 20.876 0.623 1.00 0.00 C \r\n> ATOM 1159 O TRP A 73 -10.140 19.837 0.392 1.00 0.00 O \r\n> ATOM 1160 CB TRP A 73 -8.206 20.540 2.653 1.00 0.00 C \r\n> ATOM 1161 CG TRP A 73 -6.989 19.868 3.213 1.00 0.00 C \r\n> ATOM 1162 CD1 TRP A 73 -5.919 19.399 2.510 1.00 0.00 C \r\n> ATOM 1163 CD2 TRP A 73 -6.716 19.590 4.592 1.00 0.00 C \r\n> ATOM 1164 NE1 TRP A 73 -4.997 18.846 3.364 1.00 0.00 N \r\n> ATOM 1165 CE2 TRP A 73 -5.464 18.951 4.649 1.00 0.00 C \r\n> ATOM 1166 CE3 TRP A 73 -7.412 19.820 5.785 1.00 0.00 C \r\n> ATOM 1167 CZ2 TRP A 73 -4.894 18.540 5.843 1.00 0.00 C \r\n> ATOM 1168 CZ3 TRP A 73 -6.840 19.408 6.983 1.00 0.00 C \r\n> ATOM 1169 CH2 TRP A 73 -5.617 18.787 7.011 1.00 0.00 C \r\n> ATOM 1170 H TRP A 73 -6.791 22.378 1.668 1.00 0.00 H \r\n> ATOM 1171 HA TRP A 73 -7.747 19.886 0.657 1.00 0.00 H \r\n> ATOM 1172 1HB TRP A 73 -8.310 21.487 3.183 1.00 0.00 H \r\n> ATOM 1173 2HB TRP A 73 -9.053 19.897 2.887 1.00 0.00 H \r\n> ATOM 1174 HD1 TRP A 73 -5.947 19.525 1.429 1.00 0.00 H \r\n> ATOM 1175 HE1 TRP A 73 -4.120 18.427 3.091 1.00 0.00 H \r\n> ATOM 1176 HE3 TRP A 73 -8.385 20.311 5.820 1.00 0.00 H \r\n> ATOM 1177 HZ2 TRP A 73 -3.920 18.050 5.821 1.00 0.00 H \r\n> ATOM 1178 HZ3 TRP A 73 -7.392 19.593 7.905 1.00 0.00 H \r\n> ATOM 1179 HH2 TRP A 73 -5.202 18.480 7.972 1.00 0.00 H \r\n> ATOM 1180 N ILE A 74 -10.093 22.068 0.478 1.00 0.00 N \r\n> ATOM 1181 CA ILE A 74 -11.435 22.170 -0.065 1.00 0.00 C \r\n> ATOM 1182 C ILE A 74 -11.418 21.663 -1.504 1.00 0.00 C \r\n> ATOM 1183 O ILE A 74 -12.473 21.213 -1.985 1.00 0.00 O \r\n> ATOM 1184 CB ILE A 74 -11.969 23.613 -0.026 1.00 0.00 C \r\n> ATOM 1185 CG1 ILE A 74 -13.439 23.652 -0.453 1.00 0.00 C \r\n> ATOM 1186 CG2 ILE A 74 -11.129 24.516 -0.917 1.00 0.00 C \r\n> ATOM 1187 CD1 ILE A 74 -14.338 22.757 0.371 1.00 0.00 C \r\n> ATOM 1188 H ILE A 74 -9.603 22.911 0.740 1.00 0.00 H \r\n> ATOM 1189 HA ILE A 74 -12.120 21.520 0.477 1.00 0.00 H \r\n> ATOM 1190 HB ILE A 74 -11.931 23.979 1.000 1.00 0.00 H \r\n> ATOM 1191 1HG1 ILE A 74 -13.776 24.684 -0.366 1.00 0.00 H \r\n> ATOM 1192 2HG1 ILE A 74 -13.480 23.343 -1.498 1.00 0.00 H \r\n> ATOM 1193 1HG2 ILE A 74 -11.520 25.533 -0.878 1.00 0.00 H \r\n> ATOM 1194 2HG2 ILE A 74 -10.098 24.511 -0.569 1.00 0.00 H \r\n> ATOM 1195 3HG2 ILE A 74 -11.168 24.152 -1.943 1.00 0.00 H \r\n> ATOM 1196 1HD1 ILE A 74 -15.363 22.837 0.009 1.00 0.00 H \r\n> ATOM 1197 2HD1 ILE A 74 -14.002 21.723 0.284 1.00 0.00 H \r\n> ATOM 1198 3HD1 ILE A 74 -14.298 23.064 1.416 1.00 0.00 H \r\n> ATOM 1199 N THR A 75 -10.264 21.688 -2.211 1.00 0.00 N \r\n> ATOM 1200 CA THR A 75 -10.319 21.211 -3.583 1.00 0.00 C \r\n1217,1227c1217,1227\r\n< ATOM 1202 O THR A 75 -11.281 19.166 -4.273 1.00 0.00 O \r\n< ATOM 1203 CB THR A 75 -9.075 21.654 -4.391 1.00 0.00 C \r\n< ATOM 1204 OG1 THR A 75 -7.905 21.023 -3.855 1.00 0.00 O \r\n< ATOM 1205 CG2 THR A 75 -8.908 23.164 -4.323 1.00 0.00 C \r\n< ATOM 1206 H THR A 75 -9.390 22.032 -1.846 1.00 0.00 H \r\n< ATOM 1207 HA THR A 75 -11.205 21.594 -4.085 1.00 0.00 H \r\n< ATOM 1208 HB THR A 75 -9.189 21.353 -5.432 1.00 0.00 H \r\n< ATOM 1209 HG1 THR A 75 -7.797 21.277 -2.936 1.00 0.00 H \r\n< ATOM 1210 1HG2 THR A 75 -8.029 23.459 -4.895 1.00 0.00 H \r\n< ATOM 1211 2HG2 THR A 75 -9.792 23.647 -4.740 1.00 0.00 H \r\n< ATOM 1212 3HG2 THR A 75 -8.784 23.470 -3.285 1.00 0.00 H \r\n---\r\n> ATOM 1202 O THR A 75 -11.276 19.165 -4.278 1.00 0.00 O \r\n> ATOM 1203 CB THR A 75 -9.087 21.649 -4.398 1.00 0.00 C \r\n> ATOM 1204 OG1 THR A 75 -7.909 21.044 -3.848 1.00 0.00 O \r\n> ATOM 1205 CG2 THR A 75 -8.938 23.162 -4.368 1.00 0.00 C \r\n> ATOM 1206 H THR A 75 -9.384 22.016 -1.839 1.00 0.00 H \r\n> ATOM 1207 HA THR A 75 -11.216 21.593 -4.071 1.00 0.00 H \r\n> ATOM 1208 HB THR A 75 -9.208 21.316 -5.429 1.00 0.00 H \r\n> ATOM 1209 HG1 THR A 75 -8.128 20.615 -3.018 1.00 0.00 H \r\n> ATOM 1210 1HG2 THR A 75 -8.063 23.451 -4.950 1.00 0.00 H \r\n> ATOM 1211 2HG2 THR A 75 -9.828 23.623 -4.796 1.00 0.00 H \r\n> ATOM 1212 3HG2 THR A 75 -8.816 23.494 -3.339 1.00 0.00 H \r\n1991,1994c1991,1994\r\n< ATOM 1976 CB LEU A 125 0.480 25.428 5.846 1.00 0.00 C \r\n< ATOM 1977 CG LEU A 125 -0.588 25.928 6.828 1.00 0.00 C \r\n< ATOM 1978 CD1 LEU A 125 -0.106 27.209 7.495 1.00 0.00 C \r\n< ATOM 1979 CD2 LEU A 125 -1.894 26.158 6.082 1.00 0.00 C \r\n---\r\n> ATOM 1976 CB LEU A 125 0.460 25.431 5.849 1.00 0.00 C \r\n> ATOM 1977 CG LEU A 125 -0.638 25.918 6.803 1.00 0.00 C \r\n> ATOM 1978 CD1 LEU A 125 -0.203 27.207 7.485 1.00 0.00 C \r\n> ATOM 1979 CD2 LEU A 125 -1.930 26.128 6.026 1.00 0.00 C \r\n1997,2005c1997,2005\r\n< ATOM 1982 1HB LEU A 125 1.417 25.337 6.394 1.00 0.00 H \r\n< ATOM 1983 2HB LEU A 125 0.606 26.190 5.077 1.00 0.00 H \r\n< ATOM 1984 HG LEU A 125 -0.742 25.183 7.608 1.00 0.00 H \r\n< ATOM 1985 1HD1 LEU A 125 -0.865 27.563 8.192 1.00 0.00 H \r\n< ATOM 1986 2HD1 LEU A 125 0.819 27.011 8.037 1.00 0.00 H \r\n< ATOM 1987 3HD1 LEU A 125 0.073 27.969 6.736 1.00 0.00 H \r\n< ATOM 1988 1HD2 LEU A 125 -2.654 26.512 6.780 1.00 0.00 H \r\n< ATOM 1989 2HD2 LEU A 125 -1.742 26.904 5.302 1.00 0.00 H \r\n< ATOM 1990 3HD2 LEU A 125 -2.225 25.223 5.630 1.00 0.00 H \r\n---\r\n> ATOM 1982 1HB LEU A 125 1.352 25.161 6.412 1.00 0.00 H \r\n> ATOM 1983 2HB LEU A 125 0.709 26.209 5.127 1.00 0.00 H \r\n> ATOM 1984 HG LEU A 125 -0.812 25.124 7.529 1.00 0.00 H \r\n> ATOM 1985 1HD1 LEU A 125 -0.990 27.545 8.161 1.00 0.00 H \r\n> ATOM 1986 2HD1 LEU A 125 0.710 27.028 8.054 1.00 0.00 H \r\n> ATOM 1987 3HD1 LEU A 125 -0.019 27.973 6.732 1.00 0.00 H \r\n> ATOM 1988 1HD2 LEU A 125 -2.710 26.473 6.705 1.00 0.00 H \r\n> ATOM 1989 2HD2 LEU A 125 -1.770 26.874 5.247 1.00 0.00 H \r\n> ATOM 1990 3HD2 LEU A 125 -2.238 25.188 5.569 1.00 0.00 H \r\n2010,2019c2010,2019\r\n< ATOM 1995 CB TRP A 126 2.914 20.728 2.991 1.00 0.00 C \r\n< ATOM 1996 CG TRP A 126 4.072 20.346 2.119 1.00 0.00 C \r\n< ATOM 1997 CD1 TRP A 126 4.026 19.580 0.994 1.00 0.00 C \r\n< ATOM 1998 CD2 TRP A 126 5.461 20.713 2.298 1.00 0.00 C \r\n< ATOM 1999 NE1 TRP A 126 5.285 19.444 0.462 1.00 0.00 N \r\n< ATOM 2000 CE2 TRP A 126 6.175 20.132 1.247 1.00 0.00 C \r\n< ATOM 2001 CE3 TRP A 126 6.145 21.478 3.252 1.00 0.00 C \r\n< ATOM 2002 CZ2 TRP A 126 7.546 20.287 1.118 1.00 0.00 C \r\n< ATOM 2003 CZ3 TRP A 126 7.520 21.634 3.121 1.00 0.00 C \r\n< ATOM 2004 CH2 TRP A 126 8.202 21.054 2.081 1.00 0.00 C \r\n---\r\n> ATOM 1995 CB TRP A 126 2.890 20.715 2.991 1.00 0.00 C \r\n> ATOM 1996 CG TRP A 126 4.122 20.345 2.152 1.00 0.00 C \r\n> ATOM 1997 CD1 TRP A 126 3.979 19.656 0.977 1.00 0.00 C \r\n> ATOM 1998 CD2 TRP A 126 5.408 20.768 2.353 1.00 0.00 C \r\n> ATOM 1999 NE1 TRP A 126 5.159 19.678 0.411 1.00 0.00 N \r\n> ATOM 2000 CE2 TRP A 126 6.031 20.332 1.191 1.00 0.00 C \r\n> ATOM 2001 CE3 TRP A 126 6.129 21.390 3.358 1.00 0.00 C \r\n> ATOM 2002 CZ2 TRP A 126 7.384 20.521 0.976 1.00 0.00 C \r\n> ATOM 2003 CZ3 TRP A 126 7.490 21.577 3.146 1.00 0.00 C \r\n> ATOM 2004 CH2 TRP A 126 8.104 21.155 1.970 1.00 0.00 C \r\n2022,2029c2022,2029\r\n< ATOM 2007 1HB TRP A 126 3.197 20.559 4.030 1.00 0.00 H \r\n< ATOM 2008 2HB TRP A 126 2.081 20.062 2.766 1.00 0.00 H \r\n< ATOM 2009 HD1 TRP A 126 3.122 19.139 0.576 1.00 0.00 H \r\n< ATOM 2010 HE1 TRP A 126 5.519 18.922 -0.370 1.00 0.00 H \r\n< ATOM 2011 HE3 TRP A 126 5.609 21.942 4.078 1.00 0.00 H \r\n< ATOM 2012 HZ2 TRP A 126 8.106 19.834 0.299 1.00 0.00 H \r\n< ATOM 2013 HZ3 TRP A 126 8.045 22.230 3.868 1.00 0.00 H \r\n< ATOM 2014 HH2 TRP A 126 9.280 21.197 2.009 1.00 0.00 H \r\n---\r\n> ATOM 2007 1HB TRP A 126 3.142 20.519 4.033 1.00 0.00 H \r\n> ATOM 2008 2HB TRP A 126 2.082 20.052 2.683 1.00 0.00 H \r\n> ATOM 2009 HD1 TRP A 126 2.990 19.254 0.758 1.00 0.00 H \r\n> ATOM 2010 HE1 TRP A 126 5.392 19.268 -0.481 1.00 0.00 H \r\n> ATOM 2011 HE3 TRP A 126 5.699 21.742 4.295 1.00 0.00 H \r\n> ATOM 2012 HZ2 TRP A 126 7.822 20.169 0.041 1.00 0.00 H \r\n> ATOM 2013 HZ3 TRP A 126 8.067 22.065 3.932 1.00 0.00 H \r\n> ATOM 2014 HH2 TRP A 126 9.172 21.328 1.832 1.00 0.00 H \r\n2034,2040c2034,2040\r\n< ATOM 2019 CB ARG A 127 2.293 24.734 -1.246 1.00 0.00 C \r\n< ATOM 2020 CG ARG A 127 1.907 25.121 -2.664 1.00 0.00 C \r\n< ATOM 2021 CD ARG A 127 1.810 26.595 -2.825 1.00 0.00 C \r\n< ATOM 2022 NE ARG A 127 1.973 27.001 -4.211 1.00 0.00 N \r\n< ATOM 2023 CZ ARG A 127 1.626 28.208 -4.701 1.00 0.00 C \r\n< ATOM 2024 NH1 ARG A 127 1.100 29.113 -3.906 1.00 0.00 N \r\n< ATOM 2025 NH2 ARG A 127 1.814 28.481 -5.980 1.00 0.00 N \r\n---\r\n> ATOM 2019 CB ARG A 127 2.314 24.749 -1.238 1.00 0.00 C \r\n> ATOM 2020 CG ARG A 127 1.930 25.233 -2.636 1.00 0.00 C \r\n> ATOM 2021 CD ARG A 127 2.624 26.600 -2.825 1.00 0.00 C \r\n> ATOM 2022 NE ARG A 127 2.534 27.091 -4.184 1.00 0.00 N \r\n> ATOM 2023 CZ ARG A 127 1.544 27.901 -4.590 1.00 0.00 C \r\n> ATOM 2024 NH1 ARG A 127 0.584 28.278 -3.730 1.00 0.00 N \r\n> ATOM 2025 NH2 ARG A 127 1.502 28.335 -5.867 1.00 0.00 N \r\n2043,2053c2043,2053\r\n< ATOM 2028 1HB ARG A 127 1.746 25.385 -0.566 1.00 0.00 H \r\n< ATOM 2029 2HB ARG A 127 3.354 24.950 -1.122 1.00 0.00 H \r\n< ATOM 2030 1HG ARG A 127 2.659 24.749 -3.360 1.00 0.00 H \r\n< ATOM 2031 2HG ARG A 127 0.938 24.685 -2.909 1.00 0.00 H \r\n< ATOM 2032 1HD ARG A 127 0.834 26.935 -2.482 1.00 0.00 H \r\n< ATOM 2033 2HD ARG A 127 2.589 27.076 -2.235 1.00 0.00 H \r\n< ATOM 2034 HE ARG A 127 2.374 26.331 -4.854 1.00 0.00 H \r\n< ATOM 2035 1HH1 ARG A 127 0.956 28.904 -2.928 1.00 0.00 H \r\n< ATOM 2036 2HH1 ARG A 127 0.840 30.017 -4.272 1.00 0.00 H \r\n< ATOM 2037 1HH2 ARG A 127 2.219 27.785 -6.591 1.00 0.00 H \r\n< ATOM 2038 2HH2 ARG A 127 1.554 29.384 -6.346 1.00 0.00 H \r\n---\r\n> ATOM 2028 1HB ARG A 127 1.778 25.362 -0.515 1.00 0.00 H \r\n> ATOM 2029 2HB ARG A 127 3.387 24.900 -1.118 1.00 0.00 H \r\n> ATOM 2030 1HG ARG A 127 2.273 24.498 -3.365 1.00 0.00 H \r\n> ATOM 2031 2HG ARG A 127 0.843 25.316 -2.688 1.00 0.00 H \r\n> ATOM 2032 1HD ARG A 127 2.155 27.329 -2.165 1.00 0.00 H \r\n> ATOM 2033 2HD ARG A 127 3.678 26.500 -2.566 1.00 0.00 H \r\n> ATOM 2034 HE ARG A 127 3.144 26.920 -4.972 1.00 0.00 H \r\n> ATOM 2035 1HH1 ARG A 127 0.607 27.951 -2.775 1.00 0.00 H \r\n> ATOM 2036 2HH1 ARG A 127 -0.158 28.887 -4.043 1.00 0.00 H \r\n> ATOM 2037 1HH2 ARG A 127 2.220 28.049 -6.518 1.00 0.00 H \r\n> ATOM 2038 2HH2 ARG A 127 0.755 28.943 -6.165 1.00 0.00 H \r\n2059,2062c2059,2062\r\n< ATOM 2044 CG LYS A 128 6.301 23.631 -2.904 1.00 0.00 C \r\n< ATOM 2045 CD LYS A 128 7.770 24.022 -2.924 1.00 0.00 C \r\n< ATOM 2046 CE LYS A 128 8.426 23.784 -1.572 1.00 0.00 C \r\n< ATOM 2047 NZ LYS A 128 9.842 24.244 -1.551 1.00 0.00 N \r\n---\r\n> ATOM 2044 CG LYS A 128 6.307 23.627 -2.965 1.00 0.00 C \r\n> ATOM 2045 CD LYS A 128 7.770 24.004 -3.138 1.00 0.00 C \r\n> ATOM 2046 CE LYS A 128 8.539 23.850 -1.833 1.00 0.00 C \r\n> ATOM 2047 NZ LYS A 128 10.003 24.032 -2.027 1.00 0.00 N \r\n2065,2075c2065,2075\r\n< ATOM 2050 1HB LYS A 128 6.563 21.760 -1.924 1.00 0.00 H \r\n< ATOM 2051 2HB LYS A 128 6.718 21.692 -3.674 1.00 0.00 H \r\n< ATOM 2052 1HG LYS A 128 5.816 24.025 -3.798 1.00 0.00 H \r\n< ATOM 2053 2HG LYS A 128 5.827 24.075 -2.029 1.00 0.00 H \r\n< ATOM 2054 1HD LYS A 128 8.293 23.436 -3.681 1.00 0.00 H \r\n< ATOM 2055 2HD LYS A 128 7.862 25.078 -3.180 1.00 0.00 H \r\n< ATOM 2056 1HE LYS A 128 7.873 24.317 -0.801 1.00 0.00 H \r\n< ATOM 2057 2HE LYS A 128 8.400 22.720 -1.337 1.00 0.00 H \r\n< ATOM 2058 1HZ LYS A 128 10.240 24.068 -0.640 1.00 0.00 H \r\n< ATOM 2059 2HZ LYS A 128 10.370 23.741 -2.252 1.00 0.00 H \r\n< ATOM 2060 3HZ LYS A 128 9.878 25.233 -1.749 1.00 0.00 H \r\n---\r\n> ATOM 2050 1HB LYS A 128 6.509 21.775 -1.895 1.00 0.00 H \r\n> ATOM 2051 2HB LYS A 128 6.690 21.631 -3.660 1.00 0.00 H \r\n> ATOM 2052 1HG LYS A 128 5.735 23.982 -3.824 1.00 0.00 H \r\n> ATOM 2053 2HG LYS A 128 5.918 24.085 -2.056 1.00 0.00 H \r\n> ATOM 2054 1HD LYS A 128 8.209 23.355 -3.897 1.00 0.00 H \r\n> ATOM 2055 2HD LYS A 128 7.826 25.040 -3.470 1.00 0.00 H \r\n> ATOM 2056 1HE LYS A 128 8.171 24.594 -1.130 1.00 0.00 H \r\n> ATOM 2057 2HE LYS A 128 8.347 22.852 -1.439 1.00 0.00 H \r\n> ATOM 2058 1HZ LYS A 128 10.476 23.923 -1.140 1.00 0.00 H \r\n> ATOM 2059 2HZ LYS A 128 10.347 23.341 -2.679 1.00 0.00 H \r\n> ATOM 2060 3HZ LYS A 128 10.183 24.957 -2.391 1.00 0.00 H \r\n2257,2330c2257,2330\r\n< ATOM 2242 N ASP A 142 7.050 23.466 -6.717 1.00 0.00 N \r\n< ATOM 2243 CA ASP A 142 5.693 23.892 -6.957 1.00 0.00 C \r\n< ATOM 2244 C ASP A 142 5.239 23.183 -8.231 1.00 0.00 C \r\n< ATOM 2245 O ASP A 142 5.733 23.466 -9.329 1.00 0.00 O \r\n< ATOM 2246 CB ASP A 142 5.596 25.412 -7.106 1.00 0.00 C \r\n< ATOM 2247 CG ASP A 142 4.162 25.904 -7.246 1.00 0.00 C \r\n< ATOM 2248 OD1 ASP A 142 3.323 25.125 -7.633 1.00 0.00 O \r\n< ATOM 2249 OD2 ASP A 142 3.919 27.053 -6.966 1.00 0.00 O \r\n< ATOM 2250 H ASP A 142 7.810 24.077 -6.978 1.00 0.00 H \r\n< ATOM 2251 HA ASP A 142 5.064 23.615 -6.111 1.00 0.00 H \r\n< ATOM 2252 1HB ASP A 142 6.046 25.892 -6.237 1.00 0.00 H \r\n< ATOM 2253 2HB ASP A 142 6.161 25.728 -7.984 1.00 0.00 H \r\n< ATOM 2254 N ALA A 143 4.276 22.261 -8.140 1.00 0.00 N \r\n< ATOM 2255 CA ALA A 143 3.890 21.536 -9.324 1.00 0.00 C \r\n< ATOM 2256 C ALA A 143 3.157 22.444 -10.302 1.00 0.00 C \r\n< ATOM 2257 O ALA A 143 3.075 22.088 -11.482 1.00 0.00 O \r\n< ATOM 2258 CB ALA A 143 3.027 20.341 -8.950 1.00 0.00 C \r\n< ATOM 2259 H ALA A 143 3.812 22.059 -7.267 1.00 0.00 H \r\n< ATOM 2260 HA ALA A 143 4.789 21.151 -9.806 1.00 0.00 H \r\n< ATOM 2261 1HB ALA A 143 2.746 19.798 -9.853 1.00 0.00 H \r\n< ATOM 2262 2HB ALA A 143 3.587 19.680 -8.289 1.00 0.00 H \r\n< ATOM 2263 3HB ALA A 143 2.128 20.686 -8.441 1.00 0.00 H \r\n< ATOM 2264 N ASN A 144 2.612 23.603 -9.866 1.00 0.00 N \r\n< ATOM 2265 CA ASN A 144 1.989 24.515 -10.804 1.00 0.00 C \r\n< ATOM 2266 C ASN A 144 2.942 25.599 -11.284 1.00 0.00 C \r\n< ATOM 2267 O ASN A 144 2.533 26.681 -11.720 1.00 0.00 O \r\n< ATOM 2268 CB ASN A 144 0.752 25.137 -10.182 1.00 0.00 C \r\n< ATOM 2269 CG ASN A 144 -0.201 25.681 -11.211 1.00 0.00 C \r\n< ATOM 2270 OD1 ASN A 144 -0.362 25.104 -12.292 1.00 0.00 O \r\n< ATOM 2271 ND2 ASN A 144 -0.835 26.781 -10.895 1.00 0.00 N \r\n< ATOM 2272 H ASN A 144 2.634 23.844 -8.885 1.00 0.00 H \r\n< ATOM 2273 HA ASN A 144 1.664 23.969 -11.691 1.00 0.00 H \r\n< ATOM 2274 1HB ASN A 144 0.232 24.390 -9.581 1.00 0.00 H \r\n< ATOM 2275 2HB ASN A 144 1.048 25.946 -9.514 1.00 0.00 H \r\n< ATOM 2276 1HD2 ASN A 144 -1.482 27.188 -11.540 1.00 0.00 H \r\n< ATOM 2277 2HD2 ASN A 144 -0.674 27.214 -10.008 1.00 0.00 H \r\n< ATOM 2278 N ARG A 145 4.247 25.372 -11.153 1.00 0.00 N \r\n< ATOM 2279 CA ARG A 145 5.235 26.229 -11.829 1.00 0.00 C \r\n< ATOM 2280 C ARG A 145 6.124 25.311 -12.718 1.00 0.00 C \r\n< ATOM 2281 O ARG A 145 7.121 25.745 -13.298 1.00 0.00 O \r\n< ATOM 2282 CB ARG A 145 6.089 26.988 -10.824 1.00 0.00 C \r\n< ATOM 2283 CG ARG A 145 5.330 27.982 -9.961 1.00 0.00 C \r\n< ATOM 2284 CD ARG A 145 4.739 29.076 -10.774 1.00 0.00 C \r\n< ATOM 2285 NE ARG A 145 4.098 30.083 -9.944 1.00 0.00 N \r\n< ATOM 2286 CZ ARG A 145 2.834 30.004 -9.484 1.00 0.00 C \r\n< ATOM 2287 NH1 ARG A 145 2.090 28.961 -9.782 1.00 0.00 N \r\n< ATOM 2288 NH2 ARG A 145 2.341 30.974 -8.735 1.00 0.00 N \r\n< ATOM 2289 H ARG A 145 4.569 24.603 -10.584 1.00 0.00 H \r\n< ATOM 2290 HA ARG A 145 4.722 27.016 -12.384 1.00 0.00 H \r\n< ATOM 2291 1HB ARG A 145 6.580 26.280 -10.158 1.00 0.00 H \r\n< ATOM 2292 2HB ARG A 145 6.869 27.537 -11.352 1.00 0.00 H \r\n< ATOM 2293 1HG ARG A 145 4.522 27.469 -9.439 1.00 0.00 H \r\n< ATOM 2294 2HG ARG A 145 6.009 28.425 -9.232 1.00 0.00 H \r\n< ATOM 2295 1HD ARG A 145 5.523 29.562 -11.354 1.00 0.00 H \r\n< ATOM 2296 2HD ARG A 145 3.990 28.664 -11.449 1.00 0.00 H \r\n< ATOM 2297 HE ARG A 145 4.638 30.900 -9.694 1.00 0.00 H \r\n< ATOM 2298 1HH1 ARG A 145 2.467 28.220 -10.355 1.00 0.00 H \r\n< ATOM 2299 2HH1 ARG A 145 1.143 28.902 -9.438 1.00 0.00 H \r\n< ATOM 2300 1HH2 ARG A 145 2.913 31.776 -8.506 1.00 0.00 H \r\n< ATOM 2301 2HH2 ARG A 145 1.394 30.915 -8.390 1.00 0.00 H \r\n< ATOM 2302 N ASN A 146 5.763 24.026 -12.876 1.00 0.00 N \r\n< ATOM 2303 CA ASN A 146 6.602 23.029 -13.512 1.00 0.00 C \r\n< ATOM 2304 C ASN A 146 6.217 22.695 -14.949 1.00 0.00 C \r\n< ATOM 2305 O ASN A 146 6.889 21.909 -15.614 1.00 0.00 O \r\n< ATOM 2306 CB ASN A 146 6.552 21.759 -12.644 1.00 0.00 C \r\n< ATOM 2307 CG ASN A 146 7.671 20.743 -12.886 1.00 0.00 C \r\n< ATOM 2308 OD1 ASN A 146 7.412 19.592 -13.235 1.00 0.00 O \r\n< ATOM 2309 ND2 ASN A 146 8.942 21.114 -12.667 1.00 0.00 N \r\n< ATOM 2310 H ASN A 146 4.855 23.755 -12.528 1.00 0.00 H \r\n< ATOM 2311 HA ASN A 146 7.630 23.391 -13.567 1.00 0.00 H \r\n< ATOM 2312 1HB ASN A 146 6.393 21.825 -11.567 1.00 0.00 H \r\n< ATOM 2313 2HB ASN A 146 5.645 21.390 -13.123 1.00 0.00 H \r\n< ATOM 2314 1HD2 ASN A 146 9.686 20.463 -12.820 1.00 0.00 H \r\n< ATOM 2315 2HD2 ASN A 146 9.145 22.041 -12.351 1.00 0.00 H \r\n---\r\n> ATOM 2242 N ASP A 142 7.032 23.408 -6.668 1.00 0.00 N \r\n> ATOM 2243 CA ASP A 142 5.673 23.837 -6.891 1.00 0.00 C \r\n> ATOM 2244 C ASP A 142 5.212 23.154 -8.176 1.00 0.00 C \r\n> ATOM 2245 O ASP A 142 5.696 23.463 -9.271 1.00 0.00 O \r\n> ATOM 2246 CB ASP A 142 5.572 25.361 -6.997 1.00 0.00 C \r\n> ATOM 2247 CG ASP A 142 4.151 25.888 -7.140 1.00 0.00 C \r\n> ATOM 2248 OD1 ASP A 142 3.289 25.126 -7.505 1.00 0.00 O \r\n> ATOM 2249 OD2 ASP A 142 3.909 27.001 -6.735 1.00 0.00 O \r\n> ATOM 2250 H ASP A 142 7.781 24.079 -6.760 1.00 0.00 H \r\n> ATOM 2251 HA ASP A 142 5.050 23.542 -6.047 1.00 0.00 H \r\n> ATOM 2252 1HB ASP A 142 6.075 25.886 -6.185 1.00 0.00 H \r\n> ATOM 2253 2HB ASP A 142 6.115 25.524 -7.928 1.00 0.00 H \r\n> ATOM 2254 N ALA A 143 4.254 22.226 -8.097 1.00 0.00 N \r\n> ATOM 2255 CA ALA A 143 3.889 21.497 -9.285 1.00 0.00 C \r\n> ATOM 2256 C ALA A 143 3.164 22.398 -10.275 1.00 0.00 C \r\n> ATOM 2257 O ALA A 143 3.101 22.040 -11.455 1.00 0.00 O \r\n> ATOM 2258 CB ALA A 143 3.033 20.293 -8.921 1.00 0.00 C \r\n> ATOM 2259 H ALA A 143 3.779 22.022 -7.230 1.00 0.00 H \r\n> ATOM 2260 HA ALA A 143 4.797 21.117 -9.754 1.00 0.00 H \r\n> ATOM 2261 1HB ALA A 143 2.769 19.747 -9.827 1.00 0.00 H \r\n> ATOM 2262 2HB ALA A 143 3.592 19.637 -8.252 1.00 0.00 H \r\n> ATOM 2263 3HB ALA A 143 2.125 20.629 -8.424 1.00 0.00 H \r\n> ATOM 2264 N ASN A 144 2.605 23.554 -9.848 1.00 0.00 N \r\n> ATOM 2265 CA ASN A 144 1.990 24.461 -10.796 1.00 0.00 C \r\n> ATOM 2266 C ASN A 144 2.945 25.545 -11.272 1.00 0.00 C \r\n> ATOM 2267 O ASN A 144 2.538 26.612 -11.745 1.00 0.00 O \r\n> ATOM 2268 CB ASN A 144 0.740 25.092 -10.209 1.00 0.00 C \r\n> ATOM 2269 CG ASN A 144 -0.213 25.623 -11.243 1.00 0.00 C \r\n> ATOM 2270 OD1 ASN A 144 -0.350 25.062 -12.337 1.00 0.00 O \r\n> ATOM 2271 ND2 ASN A 144 -0.811 26.746 -10.938 1.00 0.00 N \r\n> ATOM 2272 H ASN A 144 2.612 23.797 -8.867 1.00 0.00 H \r\n> ATOM 2273 HA ASN A 144 1.674 23.910 -11.683 1.00 0.00 H \r\n> ATOM 2274 1HB ASN A 144 0.174 24.586 -9.426 1.00 0.00 H \r\n> ATOM 2275 2HB ASN A 144 1.290 25.928 -9.775 1.00 0.00 H \r\n> ATOM 2276 1HD2 ASN A 144 -1.458 27.158 -11.579 1.00 0.00 H \r\n> ATOM 2277 2HD2 ASN A 144 -0.619 27.192 -10.063 1.00 0.00 H \r\n> ATOM 2278 N ARG A 145 4.248 25.335 -11.097 1.00 0.00 N \r\n> ATOM 2279 CA ARG A 145 5.247 26.200 -11.746 1.00 0.00 C \r\n> ATOM 2280 C ARG A 145 6.144 25.294 -12.639 1.00 0.00 C \r\n> ATOM 2281 O ARG A 145 7.150 25.735 -13.199 1.00 0.00 O \r\n> ATOM 2282 CB ARG A 145 6.049 27.029 -10.754 1.00 0.00 C \r\n> ATOM 2283 CG ARG A 145 5.224 27.973 -9.894 1.00 0.00 C \r\n> ATOM 2284 CD ARG A 145 4.533 29.046 -10.653 1.00 0.00 C \r\n> ATOM 2285 NE ARG A 145 3.740 29.949 -9.834 1.00 0.00 N \r\n> ATOM 2286 CZ ARG A 145 2.451 29.745 -9.500 1.00 0.00 C \r\n> ATOM 2287 NH1 ARG A 145 1.794 28.694 -9.940 1.00 0.00 N \r\n> ATOM 2288 NH2 ARG A 145 1.854 30.643 -8.735 1.00 0.00 N \r\n> ATOM 2289 H ARG A 145 4.562 24.575 -10.511 1.00 0.00 H \r\n> ATOM 2290 HA ARG A 145 4.743 26.998 -12.294 1.00 0.00 H \r\n> ATOM 2291 1HB ARG A 145 6.581 26.329 -10.111 1.00 0.00 H \r\n> ATOM 2292 2HB ARG A 145 6.768 27.608 -11.333 1.00 0.00 H \r\n> ATOM 2293 1HG ARG A 145 4.466 27.392 -9.369 1.00 0.00 H \r\n> ATOM 2294 2HG ARG A 145 5.886 28.447 -9.168 1.00 0.00 H \r\n> ATOM 2295 1HD ARG A 145 5.277 29.648 -11.174 1.00 0.00 H \r\n> ATOM 2296 2HD ARG A 145 3.862 28.590 -11.380 1.00 0.00 H \r\n> ATOM 2297 HE ARG A 145 4.001 30.825 -9.403 1.00 0.00 H \r\n> ATOM 2298 1HH1 ARG A 145 2.259 28.026 -10.539 1.00 0.00 H \r\n> ATOM 2299 2HH1 ARG A 145 0.829 28.559 -9.679 1.00 0.00 H \r\n> ATOM 2300 1HH2 ARG A 145 2.368 31.454 -8.418 1.00 0.00 H \r\n> ATOM 2301 2HH2 ARG A 145 0.889 30.515 -8.470 1.00 0.00 H \r\n> ATOM 2302 N ASN A 146 5.782 24.013 -12.822 1.00 0.00 N \r\n> ATOM 2303 CA ASN A 146 6.606 23.036 -13.506 1.00 0.00 C \r\n> ATOM 2304 C ASN A 146 6.185 22.739 -14.941 1.00 0.00 C \r\n> ATOM 2305 O ASN A 146 6.841 21.973 -15.644 1.00 0.00 O \r\n> ATOM 2306 CB ASN A 146 6.581 21.743 -12.671 1.00 0.00 C \r\n> ATOM 2307 CG ASN A 146 7.696 20.737 -12.970 1.00 0.00 C \r\n> ATOM 2308 OD1 ASN A 146 7.430 19.595 -13.343 1.00 0.00 O \r\n> ATOM 2309 ND2 ASN A 146 8.971 21.105 -12.774 1.00 0.00 N \r\n> ATOM 2310 H ASN A 146 4.884 23.730 -12.458 1.00 0.00 H \r\n> ATOM 2311 HA ASN A 146 7.632 23.402 -13.578 1.00 0.00 H \r\n> ATOM 2312 1HB ASN A 146 6.450 21.779 -11.589 1.00 0.00 H \r\n> ATOM 2313 2HB ASN A 146 5.663 21.384 -13.137 1.00 0.00 H \r\n> ATOM 2314 1HD2 ASN A 146 9.713 20.461 -12.964 1.00 0.00 H \r\n> ATOM 2315 2HD2 ASN A 146 9.181 22.024 -12.438 1.00 0.00 H \r\n2533,2537c2533,2537\r\n< ATOM 2518 CB GLU A 163 5.936 28.669 -1.521 1.00 0.00 C \r\n< ATOM 2519 CG GLU A 163 6.001 28.444 -0.017 1.00 0.00 C \r\n< ATOM 2520 CD GLU A 163 4.690 28.701 0.671 1.00 0.00 C \r\n< ATOM 2521 OE1 GLU A 163 3.885 29.418 0.126 1.00 0.00 O \r\n< ATOM 2522 OE2 GLU A 163 4.493 28.181 1.744 1.00 0.00 O \r\n---\r\n> ATOM 2518 CB GLU A 163 5.936 28.662 -1.515 1.00 0.00 C \r\n> ATOM 2519 CG GLU A 163 6.113 28.594 -0.005 1.00 0.00 C \r\n> ATOM 2520 CD GLU A 163 4.829 28.911 0.711 1.00 0.00 C \r\n> ATOM 2521 OE1 GLU A 163 3.785 28.690 0.145 1.00 0.00 O \r\n> ATOM 2522 OE2 GLU A 163 4.888 29.268 1.863 1.00 0.00 O \r\n2540,2543c2540,2543\r\n< ATOM 2525 1HB GLU A 163 5.971 29.744 -1.700 1.00 0.00 H \r\n< ATOM 2526 2HB GLU A 163 4.967 28.311 -1.871 1.00 0.00 H \r\n< ATOM 2527 1HG GLU A 163 6.302 27.413 0.172 1.00 0.00 H \r\n< ATOM 2528 2HG GLU A 163 6.763 29.098 0.404 1.00 0.00 H \r\n---\r\n> ATOM 2525 1HB GLU A 163 5.910 29.706 -1.830 1.00 0.00 H \r\n> ATOM 2526 2HB GLU A 163 5.002 28.175 -1.792 1.00 0.00 H \r\n> ATOM 2527 1HG GLU A 163 6.495 27.635 0.344 1.00 0.00 H \r\n> ATOM 2528 2HG GLU A 163 6.846 29.372 0.204 1.00 0.00 H \r\n2548,2550c2548,2550\r\n< ATOM 2533 CB THR A 164 6.831 30.276 -6.320 1.00 0.00 C \r\n< ATOM 2534 OG1 THR A 164 7.999 31.040 -5.993 1.00 0.00 O \r\n< ATOM 2535 CG2 THR A 164 5.635 30.837 -5.564 1.00 0.00 C \r\n---\r\n> ATOM 2533 CB THR A 164 6.839 30.274 -6.333 1.00 0.00 C \r\n> ATOM 2534 OG1 THR A 164 8.004 31.037 -5.993 1.00 0.00 O \r\n> ATOM 2535 CG2 THR A 164 5.635 30.842 -5.598 1.00 0.00 C \r\n2553,2557c2553,2557\r\n< ATOM 2538 HB THR A 164 6.647 30.360 -7.391 1.00 0.00 H \r\n< ATOM 2539 HG1 THR A 164 8.493 30.588 -5.304 1.00 0.00 H \r\n< ATOM 2540 1HG2 THR A 164 5.489 31.881 -5.838 1.00 0.00 H \r\n< ATOM 2541 2HG2 THR A 164 4.743 30.265 -5.820 1.00 0.00 H \r\n< ATOM 2542 3HG2 THR A 164 5.817 30.765 -4.493 1.00 0.00 H \r\n---\r\n> ATOM 2538 HB THR A 164 6.673 30.341 -7.408 1.00 0.00 H \r\n> ATOM 2539 HG1 THR A 164 8.517 30.562 -5.336 1.00 0.00 H \r\n> ATOM 2540 1HG2 THR A 164 5.495 31.885 -5.882 1.00 0.00 H \r\n> ATOM 2541 2HG2 THR A 164 4.745 30.271 -5.864 1.00 0.00 H \r\n> ATOM 2542 3HG2 THR A 164 5.801 30.777 -4.524 1.00 0.00 H \r\n3026,3029c3026,3029\r\n< ATOM 3011 C SER A 194 -7.977 23.720 -11.463 1.00 0.00 C \r\n< ATOM 3012 O SER A 194 -8.024 24.950 -11.519 1.00 0.00 O \r\n< ATOM 3013 CB SER A 194 -6.061 23.176 -12.962 1.00 0.00 C \r\n< ATOM 3014 OG SER A 194 -5.238 22.891 -11.864 1.00 0.00 O \r\n---\r\n> ATOM 3011 C SER A 194 -7.980 23.717 -11.462 1.00 0.00 C \r\n> ATOM 3012 O SER A 194 -7.998 24.948 -11.504 1.00 0.00 O \r\n> ATOM 3013 CB SER A 194 -6.060 23.164 -12.966 1.00 0.00 C \r\n> ATOM 3014 OG SER A 194 -5.214 22.861 -11.891 1.00 0.00 O \r\n3031,3170c3031,3170\r\n< ATOM 3016 HA SER A 194 -7.428 21.814 -12.442 1.00 0.00 H \r\n< ATOM 3017 1HB SER A 194 -5.749 22.579 -13.819 1.00 0.00 H \r\n< ATOM 3018 2HB SER A 194 -5.954 24.224 -13.238 1.00 0.00 H \r\n< ATOM 3019 HG SER A 194 -5.254 21.937 -11.762 1.00 0.00 H \r\n< ATOM 3020 N ILE A 195 -8.385 23.042 -10.401 1.00 0.00 N \r\n< ATOM 3021 CA ILE A 195 -9.013 23.701 -9.265 1.00 0.00 C \r\n< ATOM 3022 C ILE A 195 -8.104 23.899 -8.097 1.00 0.00 C \r\n< ATOM 3023 O ILE A 195 -7.405 22.988 -7.684 1.00 0.00 O \r\n< ATOM 3024 CB ILE A 195 -10.246 22.917 -8.779 1.00 0.00 C \r\n< ATOM 3025 CG1 ILE A 195 -11.338 22.919 -9.851 1.00 0.00 C \r\n< ATOM 3026 CG2 ILE A 195 -10.771 23.504 -7.478 1.00 0.00 C \r\n< ATOM 3027 CD1 ILE A 195 -12.520 22.037 -9.522 1.00 0.00 C \r\n< ATOM 3028 H ILE A 195 -8.257 22.041 -10.379 1.00 0.00 H \r\n< ATOM 3029 HA ILE A 195 -9.277 24.728 -9.514 1.00 0.00 H \r\n< ATOM 3030 HB ILE A 195 -9.965 21.876 -8.621 1.00 0.00 H \r\n< ATOM 3031 1HG1 ILE A 195 -11.675 23.949 -9.969 1.00 0.00 H \r\n< ATOM 3032 2HG1 ILE A 195 -10.879 22.580 -10.781 1.00 0.00 H \r\n< ATOM 3033 1HG2 ILE A 195 -11.642 22.938 -7.149 1.00 0.00 H \r\n< ATOM 3034 2HG2 ILE A 195 -9.995 23.451 -6.715 1.00 0.00 H \r\n< ATOM 3035 3HG2 ILE A 195 -11.054 24.544 -7.636 1.00 0.00 H \r\n< ATOM 3036 1HD1 ILE A 195 -13.251 22.091 -10.328 1.00 0.00 H \r\n< ATOM 3037 2HD1 ILE A 195 -12.184 21.005 -9.406 1.00 0.00 H \r\n< ATOM 3038 3HD1 ILE A 195 -12.979 22.374 -8.594 1.00 0.00 H \r\n< ATOM 3039 N HIS A 196 -8.123 25.123 -7.606 1.00 0.00 N \r\n< ATOM 3040 CA HIS A 196 -7.273 25.581 -6.524 1.00 0.00 C \r\n< ATOM 3041 C HIS A 196 -8.141 26.254 -5.434 1.00 0.00 C \r\n< ATOM 3042 O HIS A 196 -9.339 26.478 -5.598 1.00 0.00 O \r\n< ATOM 3043 CB HIS A 196 -6.211 26.555 -7.044 1.00 0.00 C \r\n< ATOM 3044 CG HIS A 196 -5.076 25.885 -7.752 1.00 0.00 C \r\n< ATOM 3045 ND1 HIS A 196 -4.074 25.214 -7.083 1.00 0.00 N \r\n< ATOM 3046 CD2 HIS A 196 -4.782 25.783 -9.070 1.00 0.00 C \r\n< ATOM 3047 CE1 HIS A 196 -3.213 24.727 -7.960 1.00 0.00 C \r\n< ATOM 3048 NE2 HIS A 196 -3.620 25.058 -9.171 1.00 0.00 N \r\n< ATOM 3049 H HIS A 196 -8.777 25.768 -8.024 1.00 0.00 H \r\n< ATOM 3050 HA HIS A 196 -6.734 24.735 -6.098 1.00 0.00 H \r\n< ATOM 3051 1HB HIS A 196 -6.673 27.263 -7.733 1.00 0.00 H \r\n< ATOM 3052 2HB HIS A 196 -5.804 27.128 -6.211 1.00 0.00 H \r\n< ATOM 3053 HD1 HIS A 196 -4.034 25.039 -6.099 1.00 0.00 H \r\n< ATOM 3054 HD2 HIS A 196 -5.276 26.151 -9.969 1.00 0.00 H \r\n< ATOM 3055 HE1 HIS A 196 -2.344 24.159 -7.628 1.00 0.00 H \r\n< ATOM 3056 N SER A 197 -7.562 26.616 -4.293 1.00 0.00 N \r\n< ATOM 3057 CA SER A 197 -8.117 27.640 -3.425 1.00 0.00 C \r\n< ATOM 3058 C SER A 197 -6.975 28.506 -2.870 1.00 0.00 C \r\n< ATOM 3059 O SER A 197 -5.817 28.106 -2.898 1.00 0.00 O \r\n< ATOM 3060 CB SER A 197 -8.904 27.005 -2.295 1.00 0.00 C \r\n< ATOM 3061 OG SER A 197 -8.058 26.305 -1.425 1.00 0.00 O \r\n< ATOM 3062 H SER A 197 -6.703 26.158 -4.025 1.00 0.00 H \r\n< ATOM 3063 HA SER A 197 -8.888 28.243 -3.907 1.00 0.00 H \r\n< ATOM 3064 1HB SER A 197 -9.438 27.779 -1.744 1.00 0.00 H \r\n< ATOM 3065 2HB SER A 197 -9.649 26.325 -2.707 1.00 0.00 H \r\n< ATOM 3066 HG SER A 197 -8.174 26.709 -0.561 1.00 0.00 H \r\n< ATOM 3067 N TYR A 198 -7.113 29.731 -2.385 1.00 0.00 N \r\n< ATOM 3068 CA TYR A 198 -8.415 30.334 -2.180 1.00 0.00 C \r\n< ATOM 3069 C TYR A 198 -8.396 31.692 -2.848 1.00 0.00 C \r\n< ATOM 3070 O TYR A 198 -7.347 32.129 -3.312 1.00 0.00 O \r\n< ATOM 3071 CB TYR A 198 -8.752 30.453 -0.692 1.00 0.00 C \r\n< ATOM 3072 CG TYR A 198 -7.735 31.243 0.102 1.00 0.00 C \r\n< ATOM 3073 CD1 TYR A 198 -7.908 32.606 0.289 1.00 0.00 C \r\n< ATOM 3074 CD2 TYR A 198 -6.631 30.603 0.645 1.00 0.00 C \r\n< ATOM 3075 CE1 TYR A 198 -6.979 33.327 1.014 1.00 0.00 C \r\n< ATOM 3076 CE2 TYR A 198 -5.702 31.324 1.370 1.00 0.00 C \r\n< ATOM 3077 CZ TYR A 198 -5.874 32.680 1.556 1.00 0.00 C \r\n< ATOM 3078 OH TYR A 198 -4.949 33.399 2.278 1.00 0.00 O \r\n< ATOM 3079 H TYR A 198 -6.284 30.258 -2.151 1.00 0.00 H \r\n< ATOM 3080 HA TYR A 198 -9.188 29.706 -2.626 1.00 0.00 H \r\n< ATOM 3081 1HB TYR A 198 -9.724 30.936 -0.576 1.00 0.00 H \r\n< ATOM 3082 2HB TYR A 198 -8.827 29.458 -0.255 1.00 0.00 H \r\n< ATOM 3083 HD1 TYR A 198 -8.776 33.109 -0.138 1.00 0.00 H \r\n< ATOM 3084 HD2 TYR A 198 -6.495 29.531 0.498 1.00 0.00 H \r\n< ATOM 3085 HE1 TYR A 198 -7.115 34.399 1.161 1.00 0.00 H \r\n< ATOM 3086 HE2 TYR A 198 -4.834 30.821 1.796 1.00 0.00 H \r\n< ATOM 3087 HH TYR A 198 -4.340 32.793 2.708 1.00 0.00 H \r\n< ATOM 3088 N SER A 199 -9.574 32.333 -2.918 1.00 0.00 N \r\n< ATOM 3089 CA SER A 199 -9.729 33.702 -3.343 1.00 0.00 C \r\n< ATOM 3090 C SER A 199 -10.992 33.958 -4.097 1.00 0.00 C \r\n< ATOM 3091 O SER A 199 -11.349 35.118 -4.216 1.00 0.00 O \r\n< ATOM 3092 CB SER A 199 -8.548 34.102 -4.206 1.00 0.00 C \r\n< ATOM 3093 OG SER A 199 -8.363 33.193 -5.257 1.00 0.00 O \r\n< ATOM 3094 H SER A 199 -10.393 31.806 -2.651 1.00 0.00 H \r\n< ATOM 3095 HA SER A 199 -9.646 34.420 -2.527 1.00 0.00 H \r\n< ATOM 3096 1HB SER A 199 -8.715 35.100 -4.610 1.00 0.00 H \r\n< ATOM 3097 2HB SER A 199 -7.648 34.143 -3.594 1.00 0.00 H \r\n< ATOM 3098 HG SER A 199 -7.468 32.859 -5.162 1.00 0.00 H \r\n< ATOM 3099 N GLN A 200 -11.694 32.931 -4.564 1.00 0.00 N \r\n< ATOM 3100 CA GLN A 200 -12.924 33.087 -5.337 1.00 0.00 C \r\n< ATOM 3101 C GLN A 200 -12.750 33.832 -6.639 1.00 0.00 C \r\n< ATOM 3102 O GLN A 200 -13.191 34.965 -6.817 1.00 0.00 O \r\n< ATOM 3103 CB GLN A 200 -13.981 33.803 -4.493 1.00 0.00 C \r\n< ATOM 3104 CG GLN A 200 -14.387 33.052 -3.236 1.00 0.00 C \r\n< ATOM 3105 CD GLN A 200 -15.337 33.852 -2.365 1.00 0.00 C \r\n< ATOM 3106 OE1 GLN A 200 -15.482 33.582 -1.170 1.00 0.00 O \r\n< ATOM 3107 NE2 GLN A 200 -15.991 34.843 -2.960 1.00 0.00 N \r\n< ATOM 3108 H GLN A 200 -11.351 32.002 -4.368 1.00 0.00 H \r\n< ATOM 3109 HA GLN A 200 -13.290 32.107 -5.641 1.00 0.00 H \r\n< ATOM 3110 1HB GLN A 200 -13.606 34.782 -4.193 1.00 0.00 H \r\n< ATOM 3111 2HB GLN A 200 -14.877 33.965 -5.092 1.00 0.00 H \r\n< ATOM 3112 1HG GLN A 200 -14.885 32.126 -3.523 1.00 0.00 H \r\n< ATOM 3113 2HG GLN A 200 -13.493 32.830 -2.653 1.00 0.00 H \r\n< ATOM 3114 1HE2 GLN A 200 -16.632 35.406 -2.436 1.00 0.00 H \r\n< ATOM 3115 2HE2 GLN A 200 -15.844 35.028 -3.932 1.00 0.00 H \r\n< ATOM 3116 N LEU A 201 -12.080 33.167 -7.587 1.00 0.00 N \r\n< ATOM 3117 CA LEU A 201 -11.706 33.756 -8.865 1.00 0.00 C \r\n< ATOM 3118 C LEU A 201 -11.915 32.739 -9.975 1.00 0.00 C \r\n< ATOM 3119 O LEU A 201 -11.786 31.543 -9.697 1.00 0.00 O \r\n< ATOM 3120 CB LEU A 201 -10.244 34.218 -8.842 1.00 0.00 C \r\n< ATOM 3121 CG LEU A 201 -9.885 35.234 -7.751 1.00 0.00 C \r\n< ATOM 3122 CD1 LEU A 201 -8.375 35.426 -7.712 1.00 0.00 C \r\n< ATOM 3123 CD2 LEU A 201 -10.596 36.550 -8.028 1.00 0.00 C \r\n< ATOM 3124 H LEU A 201 -11.827 32.209 -7.393 1.00 0.00 H \r\n< ATOM 3125 HA LEU A 201 -12.292 34.658 -9.037 1.00 0.00 H \r\n< ATOM 3126 1HB LEU A 201 -9.606 33.346 -8.705 1.00 0.00 H \r\n< ATOM 3127 2HB LEU A 201 -10.006 34.668 -9.806 1.00 0.00 H \r\n< ATOM 3128 HG LEU A 201 -10.198 34.851 -6.779 1.00 0.00 H \r\n< ATOM 3129 1HD1 LEU A 201 -8.120 36.148 -6.936 1.00 0.00 H \r\n< ATOM 3130 2HD1 LEU A 201 -7.893 34.473 -7.492 1.00 0.00 H \r\n< ATOM 3131 3HD1 LEU A 201 -8.030 35.794 -8.677 1.00 0.00 H \r\n< ATOM 3132 1HD2 LEU A 201 -10.342 37.273 -7.252 1.00 0.00 H \r\n< ATOM 3133 2HD2 LEU A 201 -10.283 36.935 -8.999 1.00 0.00 H \r\n< ATOM 3134 3HD2 LEU A 201 -11.674 36.387 -8.033 1.00 0.00 H \r\n< ATOM 3135 N LEU A 202 -12.259 33.122 -11.240 1.00 0.00 N \r\n< ATOM 3136 CA LEU A 202 -12.181 32.201 -12.374 1.00 0.00 C \r\n< ATOM 3137 C LEU A 202 -11.132 32.786 -13.363 1.00 0.00 C \r\n< ATOM 3138 O LEU A 202 -11.263 33.844 -13.989 1.00 0.00 O \r\n< ATOM 3139 CB LEU A 202 -13.553 32.026 -13.036 1.00 0.00 C \r\n< ATOM 3140 CG LEU A 202 -13.577 31.088 -14.250 1.00 0.00 C \r\n< ATOM 3141 CD1 LEU A 202 -12.988 29.735 -13.875 1.00 0.00 C \r\n< ATOM 3142 CD2 LEU A 202 -15.006 30.936 -14.748 1.00 0.00 C \r\n< ATOM 3143 H LEU A 202 -12.677 34.031 -11.372 1.00 0.00 H \r\n< ATOM 3144 HA LEU A 202 -11.902 31.209 -12.020 1.00 0.00 H \r\n< ATOM 3145 1HB LEU A 202 -14.094 31.577 -12.206 1.00 0.00 H \r\n< ATOM 3146 2HB LEU A 202 -14.006 32.985 -13.288 1.00 0.00 H \r\n< ATOM 3147 HG LEU A 202 -12.997 31.567 -15.040 1.00 0.00 H \r\n< ATOM 3148 1HD1 LEU A 202 -13.009 29.075 -14.744 1.00 0.00 H \r\n< ATOM 3149 2HD1 LEU A 202 -11.958 29.864 -13.545 1.00 0.00 H \r\n< ATOM 3150 3HD1 LEU A 202 -13.576 29.293 -13.071 1.00 0.00 H \r\n< ATOM 3151 1HD2 LEU A 202 -15.021 30.270 -15.612 1.00 0.00 H \r\n< ATOM 3152 2HD2 LEU A 202 -15.626 30.517 -13.954 1.00 0.00 H \r\n< ATOM 3153 3HD2 LEU A 202 -15.397 31.911 -15.037 1.00 0.00 H \r\n< ATOM 3154 N LEU A 203 -10.070 32.032 -13.585 1.00 0.00 N \r\n< ATOM 3155 CA LEU A 203 -8.922 32.518 -14.302 1.00 0.00 C \r\n---\r\n> ATOM 3016 HA SER A 194 -7.426 21.814 -12.444 1.00 0.00 H \r\n> ATOM 3017 1HB SER A 194 -5.770 22.558 -13.825 1.00 0.00 H \r\n> ATOM 3018 2HB SER A 194 -5.954 24.218 -13.214 1.00 0.00 H \r\n> ATOM 3019 HG SER A 194 -5.222 21.914 -11.734 1.00 0.00 H \r\n> ATOM 3020 N ILE A 195 -8.422 23.037 -10.415 1.00 0.00 N \r\n> ATOM 3021 CA ILE A 195 -9.079 23.694 -9.294 1.00 0.00 C \r\n> ATOM 3022 C ILE A 195 -8.203 23.880 -8.100 1.00 0.00 C \r\n> ATOM 3023 O ILE A 195 -7.621 22.934 -7.593 1.00 0.00 O \r\n> ATOM 3024 CB ILE A 195 -10.330 22.915 -8.848 1.00 0.00 C \r\n> ATOM 3025 CG1 ILE A 195 -11.349 22.843 -9.988 1.00 0.00 C \r\n> ATOM 3026 CG2 ILE A 195 -10.947 23.560 -7.617 1.00 0.00 C \r\n> ATOM 3027 CD1 ILE A 195 -12.506 21.910 -9.715 1.00 0.00 C \r\n> ATOM 3028 H ILE A 195 -8.301 22.034 -10.395 1.00 0.00 H \r\n> ATOM 3029 HA ILE A 195 -9.328 24.724 -9.546 1.00 0.00 H \r\n> ATOM 3030 HB ILE A 195 -10.045 21.889 -8.617 1.00 0.00 H \r\n> ATOM 3031 1HG1 ILE A 195 -11.727 23.853 -10.149 1.00 0.00 H \r\n> ATOM 3032 2HG1 ILE A 195 -10.816 22.510 -10.879 1.00 0.00 H \r\n> ATOM 3033 1HG2 ILE A 195 -11.830 22.998 -7.315 1.00 0.00 H \r\n> ATOM 3034 2HG2 ILE A 195 -10.222 23.561 -6.804 1.00 0.00 H \r\n> ATOM 3035 3HG2 ILE A 195 -11.233 24.587 -7.849 1.00 0.00 H \r\n> ATOM 3036 1HD1 ILE A 195 -13.185 21.912 -10.567 1.00 0.00 H \r\n> ATOM 3037 2HD1 ILE A 195 -12.129 20.899 -9.555 1.00 0.00 H \r\n> ATOM 3038 3HD1 ILE A 195 -13.040 22.242 -8.826 1.00 0.00 H \r\n> ATOM 3039 N HIS A 196 -8.111 25.132 -7.693 1.00 0.00 N \r\n> ATOM 3040 CA HIS A 196 -7.243 25.580 -6.622 1.00 0.00 C \r\n> ATOM 3041 C HIS A 196 -8.082 26.315 -5.549 1.00 0.00 C \r\n> ATOM 3042 O HIS A 196 -9.276 26.562 -5.709 1.00 0.00 O \r\n> ATOM 3043 CB HIS A 196 -6.137 26.489 -7.167 1.00 0.00 C \r\n> ATOM 3044 CG HIS A 196 -5.299 25.847 -8.227 1.00 0.00 C \r\n> ATOM 3045 ND1 HIS A 196 -5.504 26.067 -9.573 1.00 0.00 N \r\n> ATOM 3046 CD2 HIS A 196 -4.253 24.990 -8.142 1.00 0.00 C \r\n> ATOM 3047 CE1 HIS A 196 -4.621 25.374 -10.269 1.00 0.00 C \r\n> ATOM 3048 NE2 HIS A 196 -3.851 24.713 -9.425 1.00 0.00 N \r\n> ATOM 3049 H HIS A 196 -8.692 25.806 -8.170 1.00 0.00 H \r\n> ATOM 3050 HA HIS A 196 -6.740 24.723 -6.176 1.00 0.00 H \r\n> ATOM 3051 1HB HIS A 196 -6.571 27.385 -7.612 1.00 0.00 H \r\n> ATOM 3052 2HB HIS A 196 -5.459 26.777 -6.364 1.00 0.00 H \r\n> ATOM 3053 HD1 HIS A 196 -6.157 26.712 -9.974 1.00 0.00 H \r\n> ATOM 3054 HD2 HIS A 196 -3.737 24.535 -7.297 1.00 0.00 H \r\n> ATOM 3055 HE1 HIS A 196 -4.617 25.415 -11.359 1.00 0.00 H \r\n> ATOM 3056 N SER A 197 -7.481 26.706 -4.429 1.00 0.00 N \r\n> ATOM 3057 CA SER A 197 -8.096 27.631 -3.494 1.00 0.00 C \r\n> ATOM 3058 C SER A 197 -7.001 28.476 -2.824 1.00 0.00 C \r\n> ATOM 3059 O SER A 197 -5.836 28.093 -2.811 1.00 0.00 O \r\n> ATOM 3060 CB SER A 197 -8.913 26.877 -2.464 1.00 0.00 C \r\n> ATOM 3061 OG SER A 197 -8.105 26.135 -1.592 1.00 0.00 O \r\n> ATOM 3062 H SER A 197 -6.561 26.342 -4.227 1.00 0.00 H \r\n> ATOM 3063 HA SER A 197 -8.870 28.254 -3.947 1.00 0.00 H \r\n> ATOM 3064 1HB SER A 197 -9.493 27.596 -1.884 1.00 0.00 H \r\n> ATOM 3065 2HB SER A 197 -9.591 26.200 -2.983 1.00 0.00 H \r\n> ATOM 3066 HG SER A 197 -7.463 26.715 -1.179 1.00 0.00 H \r\n> ATOM 3067 N TYR A 198 -7.185 29.667 -2.274 1.00 0.00 N \r\n> ATOM 3068 CA TYR A 198 -8.498 30.272 -2.174 1.00 0.00 C \r\n> ATOM 3069 C TYR A 198 -8.429 31.623 -2.853 1.00 0.00 C \r\n> ATOM 3070 O TYR A 198 -7.353 32.041 -3.270 1.00 0.00 O \r\n> ATOM 3071 CB TYR A 198 -8.864 30.418 -0.689 1.00 0.00 C \r\n> ATOM 3072 CG TYR A 198 -7.844 31.276 0.054 1.00 0.00 C \r\n> ATOM 3073 CD1 TYR A 198 -8.052 32.643 0.191 1.00 0.00 C \r\n> ATOM 3074 CD2 TYR A 198 -6.681 30.692 0.511 1.00 0.00 C \r\n> ATOM 3075 CE1 TYR A 198 -7.068 33.433 0.759 1.00 0.00 C \r\n> ATOM 3076 CE2 TYR A 198 -5.699 31.481 1.058 1.00 0.00 C \r\n> ATOM 3077 CZ TYR A 198 -5.908 32.832 1.189 1.00 0.00 C \r\n> ATOM 3078 OH TYR A 198 -4.933 33.552 1.826 1.00 0.00 O \r\n> ATOM 3079 H TYR A 198 -6.384 30.167 -1.915 1.00 0.00 H \r\n> ATOM 3080 HA TYR A 198 -9.236 29.640 -2.669 1.00 0.00 H \r\n> ATOM 3081 1HB TYR A 198 -9.856 30.871 -0.643 1.00 0.00 H \r\n> ATOM 3082 2HB TYR A 198 -8.903 29.413 -0.266 1.00 0.00 H \r\n> ATOM 3083 HD1 TYR A 198 -8.994 33.069 -0.155 1.00 0.00 H \r\n> ATOM 3084 HD2 TYR A 198 -6.565 29.612 0.424 1.00 0.00 H \r\n> ATOM 3085 HE1 TYR A 198 -7.222 34.506 0.871 1.00 0.00 H \r\n> ATOM 3086 HE2 TYR A 198 -4.761 31.032 1.386 1.00 0.00 H \r\n> ATOM 3087 HH TYR A 198 -4.261 32.998 2.231 1.00 0.00 H \r\n> ATOM 3088 N SER A 199 -9.593 32.280 -2.984 1.00 0.00 N \r\n> ATOM 3089 CA SER A 199 -9.713 33.627 -3.481 1.00 0.00 C \r\n> ATOM 3090 C SER A 199 -10.951 33.865 -4.282 1.00 0.00 C \r\n> ATOM 3091 O SER A 199 -11.265 35.023 -4.499 1.00 0.00 O \r\n> ATOM 3092 CB SER A 199 -8.550 34.030 -4.353 1.00 0.00 C \r\n> ATOM 3093 OG SER A 199 -7.452 34.202 -3.470 1.00 0.00 O \r\n> ATOM 3094 H SER A 199 -10.428 31.780 -2.711 1.00 0.00 H \r\n> ATOM 3095 HA SER A 199 -9.640 34.385 -2.700 1.00 0.00 H \r\n> ATOM 3096 1HB SER A 199 -8.370 33.240 -5.082 1.00 0.00 H \r\n> ATOM 3097 2HB SER A 199 -8.806 34.952 -4.874 1.00 0.00 H \r\n> ATOM 3098 HG SER A 199 -7.773 34.258 -2.566 1.00 0.00 H \r\n> ATOM 3099 N GLN A 200 -11.796 32.777 -4.671 1.00 0.00 N \r\n> ATOM 3100 CA GLN A 200 -13.018 33.024 -5.433 1.00 0.00 C \r\n> ATOM 3101 C GLN A 200 -12.801 33.759 -6.735 1.00 0.00 C \r\n> ATOM 3102 O GLN A 200 -13.282 34.867 -6.958 1.00 0.00 O \r\n> ATOM 3103 CB GLN A 200 -14.032 33.810 -4.572 1.00 0.00 C \r\n> ATOM 3104 CG GLN A 200 -14.470 33.030 -3.310 1.00 0.00 C \r\n> ATOM 3105 CD GLN A 200 -15.349 33.835 -2.345 1.00 0.00 C \r\n> ATOM 3106 OE1 GLN A 200 -15.329 33.570 -1.156 1.00 0.00 O \r\n> ATOM 3107 NE2 GLN A 200 -16.155 34.823 -2.730 1.00 0.00 N \r\n> ATOM 3108 H GLN A 200 -11.662 31.877 -4.234 1.00 0.00 H \r\n> ATOM 3109 HA GLN A 200 -13.457 32.075 -5.736 1.00 0.00 H \r\n> ATOM 3110 1HB GLN A 200 -13.551 34.748 -4.295 1.00 0.00 H \r\n> ATOM 3111 2HB GLN A 200 -14.891 34.019 -5.210 1.00 0.00 H \r\n> ATOM 3112 1HG GLN A 200 -14.896 32.028 -3.353 1.00 0.00 H \r\n> ATOM 3113 2HG GLN A 200 -13.466 32.978 -2.887 1.00 0.00 H \r\n> ATOM 3114 1HE2 GLN A 200 -16.705 35.313 -2.052 1.00 0.00 H \r\n> ATOM 3115 2HE2 GLN A 200 -16.210 35.076 -3.695 1.00 0.00 H \r\n> ATOM 3116 N LEU A 201 -12.046 33.112 -7.630 1.00 0.00 N \r\n> ATOM 3117 CA LEU A 201 -11.659 33.684 -8.912 1.00 0.00 C \r\n> ATOM 3118 C LEU A 201 -11.800 32.634 -10.002 1.00 0.00 C \r\n> ATOM 3119 O LEU A 201 -11.515 31.467 -9.722 1.00 0.00 O \r\n> ATOM 3120 CB LEU A 201 -10.222 34.218 -8.856 1.00 0.00 C \r\n> ATOM 3121 CG LEU A 201 -9.945 35.229 -7.735 1.00 0.00 C \r\n> ATOM 3122 CD1 LEU A 201 -8.448 35.486 -7.623 1.00 0.00 C \r\n> ATOM 3123 CD2 LEU A 201 -10.694 36.522 -8.020 1.00 0.00 C \r\n> ATOM 3124 H LEU A 201 -11.736 32.181 -7.393 1.00 0.00 H \r\n> ATOM 3125 HA LEU A 201 -12.271 34.561 -9.121 1.00 0.00 H \r\n> ATOM 3126 1HB LEU A 201 -9.695 33.286 -8.657 1.00 0.00 H \r\n> ATOM 3127 2HB LEU A 201 -9.902 34.619 -9.818 1.00 0.00 H \r\n> ATOM 3128 HG LEU A 201 -10.346 34.808 -6.813 1.00 0.00 H \r\n> ATOM 3129 1HD1 LEU A 201 -8.261 36.204 -6.824 1.00 0.00 H \r\n> ATOM 3130 2HD1 LEU A 201 -7.935 34.551 -7.396 1.00 0.00 H \r\n> ATOM 3131 3HD1 LEU A 201 -8.076 35.886 -8.564 1.00 0.00 H \r\n> ATOM 3132 1HD2 LEU A 201 -10.496 37.239 -7.223 1.00 0.00 H \r\n> ATOM 3133 2HD2 LEU A 201 -10.359 36.935 -8.972 1.00 0.00 H \r\n> ATOM 3134 3HD2 LEU A 201 -11.764 36.320 -8.070 1.00 0.00 H \r\n> ATOM 3135 N LEU A 202 -12.278 33.005 -11.203 1.00 0.00 N \r\n> ATOM 3136 CA LEU A 202 -12.207 32.129 -12.372 1.00 0.00 C \r\n> ATOM 3137 C LEU A 202 -11.168 32.755 -13.347 1.00 0.00 C \r\n> ATOM 3138 O LEU A 202 -11.306 33.835 -13.930 1.00 0.00 O \r\n> ATOM 3139 CB LEU A 202 -13.584 31.976 -13.030 1.00 0.00 C \r\n> ATOM 3140 CG LEU A 202 -13.616 31.086 -14.279 1.00 0.00 C \r\n> ATOM 3141 CD1 LEU A 202 -13.021 29.721 -13.962 1.00 0.00 C \r\n> ATOM 3142 CD2 LEU A 202 -15.049 30.950 -14.771 1.00 0.00 C \r\n> ATOM 3143 H LEU A 202 -12.699 33.918 -11.297 1.00 0.00 H \r\n> ATOM 3144 HA LEU A 202 -11.923 31.124 -12.059 1.00 0.00 H \r\n> ATOM 3145 1HB LEU A 202 -14.118 31.493 -12.214 1.00 0.00 H \r\n> ATOM 3146 2HB LEU A 202 -14.041 32.943 -13.240 1.00 0.00 H \r\n> ATOM 3147 HG LEU A 202 -13.044 31.596 -15.055 1.00 0.00 H \r\n> ATOM 3148 1HD1 LEU A 202 -13.048 29.095 -14.856 1.00 0.00 H \r\n> ATOM 3149 2HD1 LEU A 202 -11.989 29.840 -13.635 1.00 0.00 H \r\n> ATOM 3150 3HD1 LEU A 202 -13.601 29.246 -13.171 1.00 0.00 H \r\n> ATOM 3151 1HD2 LEU A 202 -15.069 30.317 -15.659 1.00 0.00 H \r\n> ATOM 3152 2HD2 LEU A 202 -15.661 30.498 -13.989 1.00 0.00 H \r\n> ATOM 3153 3HD2 LEU A 202 -15.445 31.934 -15.018 1.00 0.00 H \r\n> ATOM 3154 N LEU A 203 -10.106 32.012 -13.606 1.00 0.00 N \r\n> ATOM 3155 CA LEU A 203 -8.965 32.529 -14.314 1.00 0.00 C \r\n3172,3187c3172,3187\r\n< ATOM 3157 O LEU A 203 -9.037 30.652 -15.785 1.00 0.00 O \r\n< ATOM 3158 CB LEU A 203 -7.657 32.308 -13.462 1.00 0.00 C \r\n< ATOM 3159 CG LEU A 203 -7.753 32.743 -11.994 1.00 0.00 C \r\n< ATOM 3160 CD1 LEU A 203 -6.544 32.222 -11.229 1.00 0.00 C \r\n< ATOM 3161 CD2 LEU A 203 -7.834 34.261 -11.919 1.00 0.00 C \r\n< ATOM 3162 H LEU A 203 -10.067 31.084 -13.237 1.00 0.00 H \r\n< ATOM 3163 HA LEU A 203 -9.043 33.581 -14.507 1.00 0.00 H \r\n< ATOM 3164 1HB LEU A 203 -7.401 31.250 -13.477 1.00 0.00 H \r\n< ATOM 3165 2HB LEU A 203 -6.839 32.864 -13.920 1.00 0.00 H \r\n< ATOM 3166 HG LEU A 203 -8.645 32.309 -11.543 1.00 0.00 H \r\n< ATOM 3167 1HD1 LEU A 203 -6.612 32.531 -10.186 1.00 0.00 H \r\n< ATOM 3168 2HD1 LEU A 203 -6.521 31.133 -11.283 1.00 0.00 H \r\n< ATOM 3169 3HD1 LEU A 203 -5.633 32.627 -11.668 1.00 0.00 H \r\n< ATOM 3170 1HD2 LEU A 203 -7.903 34.570 -10.875 1.00 0.00 H \r\n< ATOM 3171 2HD2 LEU A 203 -6.942 34.696 -12.368 1.00 0.00 H \r\n< ATOM 3172 3HD2 LEU A 203 -8.717 34.605 -12.458 1.00 0.00 H \r\n---\r\n> ATOM 3157 O LEU A 203 -9.003 30.644 -15.776 1.00 0.00 O \r\n> ATOM 3158 CB LEU A 203 -7.709 32.393 -13.445 1.00 0.00 C \r\n> ATOM 3159 CG LEU A 203 -7.272 33.674 -12.724 1.00 0.00 C \r\n> ATOM 3160 CD1 LEU A 203 -8.454 34.288 -11.987 1.00 0.00 C \r\n> ATOM 3161 CD2 LEU A 203 -6.141 33.353 -11.757 1.00 0.00 C \r\n> ATOM 3162 H LEU A 203 -10.098 31.051 -13.296 1.00 0.00 H \r\n> ATOM 3163 HA LEU A 203 -9.120 33.584 -14.534 1.00 0.00 H \r\n> ATOM 3164 1HB LEU A 203 -8.072 31.662 -12.723 1.00 0.00 H \r\n> ATOM 3165 2HB LEU A 203 -6.876 31.966 -14.004 1.00 0.00 H \r\n> ATOM 3166 HG LEU A 203 -6.880 34.354 -13.481 1.00 0.00 H \r\n> ATOM 3167 1HD1 LEU A 203 -8.133 35.197 -11.478 1.00 0.00 H \r\n> ATOM 3168 2HD1 LEU A 203 -9.241 34.531 -12.700 1.00 0.00 H \r\n> ATOM 3169 3HD1 LEU A 203 -8.834 33.577 -11.253 1.00 0.00 H \r\n> ATOM 3170 1HD2 LEU A 203 -5.831 34.264 -11.245 1.00 0.00 H \r\n> ATOM 3171 2HD2 LEU A 203 -6.485 32.623 -11.023 1.00 0.00 H \r\n> ATOM 3172 3HD2 LEU A 203 -5.296 32.940 -12.309 1.00 0.00 H \r\n3707,3714c3707,3714\r\n< ATOM 3692 CB TYR A 238 -16.346 34.351 -8.737 1.00 0.00 C \r\n< ATOM 3693 CG TYR A 238 -16.132 33.145 -7.850 1.00 0.00 C \r\n< ATOM 3694 CD1 TYR A 238 -16.980 32.913 -6.778 1.00 0.00 C \r\n< ATOM 3695 CD2 TYR A 238 -15.086 32.271 -8.109 1.00 0.00 C \r\n< ATOM 3696 CE1 TYR A 238 -16.784 31.811 -5.967 1.00 0.00 C \r\n< ATOM 3697 CE2 TYR A 238 -14.890 31.169 -7.299 1.00 0.00 C \r\n< ATOM 3698 CZ TYR A 238 -15.735 30.938 -6.232 1.00 0.00 C \r\n< ATOM 3699 OH TYR A 238 -15.539 29.841 -5.425 1.00 0.00 O \r\n---\r\n> ATOM 3692 CB TYR A 238 -16.338 34.399 -8.820 1.00 0.00 C \r\n> ATOM 3693 CG TYR A 238 -16.141 33.092 -8.052 1.00 0.00 C \r\n> ATOM 3694 CD1 TYR A 238 -16.953 32.773 -6.960 1.00 0.00 C \r\n> ATOM 3695 CD2 TYR A 238 -15.174 32.221 -8.507 1.00 0.00 C \r\n> ATOM 3696 CE1 TYR A 238 -16.785 31.556 -6.324 1.00 0.00 C \r\n> ATOM 3697 CE2 TYR A 238 -15.034 31.002 -7.896 1.00 0.00 C \r\n> ATOM 3698 CZ TYR A 238 -15.823 30.693 -6.817 1.00 0.00 C \r\n> ATOM 3699 OH TYR A 238 -15.634 29.476 -6.218 1.00 0.00 O \r\n3717,3723c3717,3723\r\n< ATOM 3702 1HB TYR A 238 -17.344 34.280 -9.173 1.00 0.00 H \r\n< ATOM 3703 2HB TYR A 238 -15.628 34.304 -9.555 1.00 0.00 H \r\n< ATOM 3704 HD1 TYR A 238 -17.802 33.600 -6.574 1.00 0.00 H \r\n< ATOM 3705 HD2 TYR A 238 -14.419 32.454 -8.951 1.00 0.00 H \r\n< ATOM 3706 HE1 TYR A 238 -17.451 31.629 -5.125 1.00 0.00 H \r\n< ATOM 3707 HE2 TYR A 238 -14.068 30.482 -7.502 1.00 0.00 H \r\n< ATOM 3708 HH TYR A 238 -16.263 29.774 -4.797 1.00 0.00 H \r\n---\r\n> ATOM 3702 1HB TYR A 238 -17.340 34.394 -9.252 1.00 0.00 H \r\n> ATOM 3703 2HB TYR A 238 -15.598 34.443 -9.618 1.00 0.00 H \r\n> ATOM 3704 HD1 TYR A 238 -17.702 33.495 -6.633 1.00 0.00 H \r\n> ATOM 3705 HD2 TYR A 238 -14.543 32.525 -9.341 1.00 0.00 H \r\n> ATOM 3706 HE1 TYR A 238 -17.409 31.291 -5.471 1.00 0.00 H \r\n> ATOM 3707 HE2 TYR A 238 -14.298 30.287 -8.267 1.00 0.00 H \r\n> ATOM 3708 HH TYR A 238 -14.950 28.952 -6.640 1.00 0.00 H \r\n3729,3732c3729,3732\r\n< ATOM 3714 CG LYS A 239 -13.540 39.784 -8.462 1.00 0.00 C \r\n< ATOM 3715 CD LYS A 239 -12.500 40.765 -7.942 1.00 0.00 C \r\n< ATOM 3716 CE LYS A 239 -13.087 41.688 -6.884 1.00 0.00 C \r\n< ATOM 3717 NZ LYS A 239 -12.078 42.648 -6.361 1.00 0.00 N \r\n---\r\n> ATOM 3714 CG LYS A 239 -13.538 39.779 -8.457 1.00 0.00 C \r\n> ATOM 3715 CD LYS A 239 -12.498 40.760 -7.936 1.00 0.00 C \r\n> ATOM 3716 CE LYS A 239 -13.085 41.680 -6.876 1.00 0.00 C \r\n> ATOM 3717 NZ LYS A 239 -12.077 42.639 -6.351 1.00 0.00 N \r\n3735,3745c3735,3745\r\n< ATOM 3720 1HB LYS A 239 -12.119 38.320 -9.064 1.00 0.00 H \r\n< ATOM 3721 2HB LYS A 239 -12.540 39.482 -10.315 1.00 0.00 H \r\n< ATOM 3722 1HG LYS A 239 -14.372 40.344 -8.891 1.00 0.00 H \r\n< ATOM 3723 2HG LYS A 239 -13.916 39.191 -7.629 1.00 0.00 H \r\n< ATOM 3724 1HD LYS A 239 -11.664 40.214 -7.509 1.00 0.00 H \r\n< ATOM 3725 2HD LYS A 239 -12.124 41.369 -8.768 1.00 0.00 H \r\n< ATOM 3726 1HE LYS A 239 -13.917 42.249 -7.311 1.00 0.00 H \r\n< ATOM 3727 2HE LYS A 239 -13.468 41.093 -6.054 1.00 0.00 H \r\n< ATOM 3728 1HZ LYS A 239 -12.506 43.240 -5.663 1.00 0.00 H \r\n< ATOM 3729 2HZ LYS A 239 -11.311 42.138 -5.945 1.00 0.00 H \r\n< ATOM 3730 3HZ LYS A 239 -11.731 43.218 -7.118 1.00 0.00 H \r\n---\r\n> ATOM 3720 1HB LYS A 239 -12.134 38.280 -9.085 1.00 0.00 H \r\n> ATOM 3721 2HB LYS A 239 -12.568 39.459 -10.345 1.00 0.00 H \r\n> ATOM 3722 1HG LYS A 239 -14.369 40.331 -8.899 1.00 0.00 H \r\n> ATOM 3723 2HG LYS A 239 -13.906 39.167 -7.634 1.00 0.00 H \r\n> ATOM 3724 1HD LYS A 239 -11.670 40.194 -7.509 1.00 0.00 H \r\n> ATOM 3725 2HD LYS A 239 -12.134 41.358 -8.772 1.00 0.00 H \r\n> ATOM 3726 1HE LYS A 239 -13.913 42.231 -7.321 1.00 0.00 H \r\n> ATOM 3727 2HE LYS A 239 -13.458 41.063 -6.058 1.00 0.00 H \r\n> ATOM 3728 1HZ LYS A 239 -12.505 43.229 -5.651 1.00 0.00 H \r\n> ATOM 3729 2HZ LYS A 239 -11.308 42.129 -5.936 1.00 0.00 H \r\n> ATOM 3730 3HZ LYS A 239 -11.731 43.212 -7.107 1.00 0.00 H \r\n3750,3757c3750,3757\r\n< ATOM 3735 CB TYR A 240 -13.713 35.759 -14.084 1.00 0.00 C \r\n< ATOM 3736 CG TYR A 240 -14.689 36.676 -14.788 1.00 0.00 C \r\n< ATOM 3737 CD1 TYR A 240 -14.468 37.043 -16.107 1.00 0.00 C \r\n< ATOM 3738 CD2 TYR A 240 -15.805 37.148 -14.114 1.00 0.00 C \r\n< ATOM 3739 CE1 TYR A 240 -15.360 37.880 -16.749 1.00 0.00 C \r\n< ATOM 3740 CE2 TYR A 240 -16.697 37.985 -14.756 1.00 0.00 C \r\n< ATOM 3741 CZ TYR A 240 -16.477 38.351 -16.068 1.00 0.00 C \r\n< ATOM 3742 OH TYR A 240 -17.366 39.184 -16.708 1.00 0.00 O \r\n---\r\n> ATOM 3735 CB TYR A 240 -13.713 35.764 -14.089 1.00 0.00 C \r\n> ATOM 3736 CG TYR A 240 -14.665 36.681 -14.825 1.00 0.00 C \r\n> ATOM 3737 CD1 TYR A 240 -14.441 37.026 -16.150 1.00 0.00 C \r\n> ATOM 3738 CD2 TYR A 240 -15.785 37.198 -14.193 1.00 0.00 C \r\n> ATOM 3739 CE1 TYR A 240 -15.306 37.864 -16.826 1.00 0.00 C \r\n> ATOM 3740 CE2 TYR A 240 -16.658 38.036 -14.859 1.00 0.00 C \r\n> ATOM 3741 CZ TYR A 240 -16.415 38.367 -16.177 1.00 0.00 C \r\n> ATOM 3742 OH TYR A 240 -17.282 39.200 -16.846 1.00 0.00 O \r\n3760,3766c3760,3766\r\n< ATOM 3745 1HB TYR A 240 -13.279 35.089 -14.828 1.00 0.00 H \r\n< ATOM 3746 2HB TYR A 240 -14.271 35.146 -13.377 1.00 0.00 H \r\n< ATOM 3747 HD1 TYR A 240 -13.591 36.671 -16.637 1.00 0.00 H \r\n< ATOM 3748 HD2 TYR A 240 -15.978 36.860 -13.077 1.00 0.00 H \r\n< ATOM 3749 HE1 TYR A 240 -15.187 38.169 -17.786 1.00 0.00 H \r\n< ATOM 3750 HE2 TYR A 240 -17.574 38.358 -14.226 1.00 0.00 H \r\n< ATOM 3751 HH TYR A 240 -17.067 39.338 -17.608 1.00 0.00 H \r\n---\r\n> ATOM 3745 1HB TYR A 240 -13.239 35.087 -14.800 1.00 0.00 H \r\n> ATOM 3746 2HB TYR A 240 -14.265 35.187 -13.349 1.00 0.00 H \r\n> ATOM 3747 HD1 TYR A 240 -13.563 36.625 -16.657 1.00 0.00 H \r\n> ATOM 3748 HD2 TYR A 240 -15.972 36.933 -13.152 1.00 0.00 H \r\n> ATOM 3749 HE1 TYR A 240 -15.117 38.127 -17.867 1.00 0.00 H \r\n> ATOM 3750 HE2 TYR A 240 -17.533 38.433 -14.344 1.00 0.00 H \r\n> ATOM 3751 HH TYR A 240 -16.886 39.610 -17.619 1.00 0.00 H \r\n3789,3792c3789,3792\r\n< ATOM 3774 CB ILE A 243 -3.149 33.748 -14.615 1.00 0.00 C \r\n< ATOM 3775 CG1 ILE A 243 -3.927 32.433 -14.715 1.00 0.00 C \r\n< ATOM 3776 CG2 ILE A 243 -2.147 33.691 -13.472 1.00 0.00 C \r\n< ATOM 3777 CD1 ILE A 243 -3.102 31.273 -15.222 1.00 0.00 C \r\n---\r\n> ATOM 3774 CB ILE A 243 -3.142 33.751 -14.600 1.00 0.00 C \r\n> ATOM 3775 CG1 ILE A 243 -3.915 32.437 -14.739 1.00 0.00 C \r\n> ATOM 3776 CG2 ILE A 243 -2.175 33.681 -13.428 1.00 0.00 C \r\n> ATOM 3777 CD1 ILE A 243 -3.081 31.291 -15.264 1.00 0.00 C \r\n3795,3803c3795,3803\r\n< ATOM 3780 HB ILE A 243 -2.609 33.867 -15.554 1.00 0.00 H \r\n< ATOM 3781 1HG1 ILE A 243 -4.323 32.169 -13.735 1.00 0.00 H \r\n< ATOM 3782 2HG1 ILE A 243 -4.777 32.564 -15.386 1.00 0.00 H \r\n< ATOM 3783 1HG2 ILE A 243 -1.472 32.849 -13.623 1.00 0.00 H \r\n< ATOM 3784 2HG2 ILE A 243 -1.572 34.616 -13.446 1.00 0.00 H \r\n< ATOM 3785 3HG2 ILE A 243 -2.677 33.566 -12.528 1.00 0.00 H \r\n< ATOM 3786 1HD1 ILE A 243 -3.722 30.377 -15.266 1.00 0.00 H \r\n< ATOM 3787 2HD1 ILE A 243 -2.724 31.502 -16.219 1.00 0.00 H \r\n< ATOM 3788 3HD1 ILE A 243 -2.265 31.100 -14.547 1.00 0.00 H \r\n---\r\n> ATOM 3780 HB ILE A 243 -2.583 33.886 -15.526 1.00 0.00 H \r\n> ATOM 3781 1HG1 ILE A 243 -4.303 32.182 -13.754 1.00 0.00 H \r\n> ATOM 3782 2HG1 ILE A 243 -4.748 32.621 -15.419 1.00 0.00 H \r\n> ATOM 3783 1HG2 ILE A 243 -1.494 32.842 -13.568 1.00 0.00 H \r\n> ATOM 3784 2HG2 ILE A 243 -1.603 34.607 -13.374 1.00 0.00 H \r\n> ATOM 3785 3HG2 ILE A 243 -2.733 33.545 -12.502 1.00 0.00 H \r\n> ATOM 3786 1HD1 ILE A 243 -3.698 30.395 -15.336 1.00 0.00 H \r\n> ATOM 3787 2HD1 ILE A 243 -2.693 31.544 -16.252 1.00 0.00 H \r\n> ATOM 3788 3HD1 ILE A 243 -2.250 31.104 -14.586 1.00 0.00 H \r\n3839,3843c3839,3843\r\n< ATOM 3824 C THR A 246 -5.854 38.254 -10.437 1.00 0.00 C \r\n< ATOM 3825 O THR A 246 -6.396 38.576 -9.382 1.00 0.00 O \r\n< ATOM 3826 CB THR A 246 -7.563 37.832 -12.197 1.00 0.00 C \r\n< ATOM 3827 OG1 THR A 246 -8.176 38.356 -13.382 1.00 0.00 O \r\n< ATOM 3828 CG2 THR A 246 -8.626 37.630 -11.128 1.00 0.00 C \r\n---\r\n> ATOM 3824 C THR A 246 -5.864 38.190 -10.462 1.00 0.00 C \r\n> ATOM 3825 O THR A 246 -6.296 38.596 -9.386 1.00 0.00 O \r\n> ATOM 3826 CB THR A 246 -7.601 37.880 -12.206 1.00 0.00 C \r\n> ATOM 3827 OG1 THR A 246 -8.179 38.430 -13.397 1.00 0.00 O \r\n> ATOM 3828 CG2 THR A 246 -8.682 37.728 -11.146 1.00 0.00 C \r\n3845,3937c3845,3937\r\n< ATOM 3830 HA THR A 246 -6.937 39.745 -11.391 1.00 0.00 H \r\n< ATOM 3831 HB THR A 246 -7.108 36.870 -12.435 1.00 0.00 H \r\n< ATOM 3832 HG1 THR A 246 -7.494 38.603 -14.012 1.00 0.00 H \r\n< ATOM 3833 1HG2 THR A 246 -9.384 36.938 -11.495 1.00 0.00 H \r\n< ATOM 3834 2HG2 THR A 246 -8.165 37.220 -10.229 1.00 0.00 H \r\n< ATOM 3835 3HG2 THR A 246 -9.091 38.586 -10.893 1.00 0.00 H \r\n< ATOM 3836 N ILE A 247 -4.779 37.440 -10.394 1.00 0.00 N \r\n< ATOM 3837 CA ILE A 247 -4.112 37.202 -9.111 1.00 0.00 C \r\n< ATOM 3838 C ILE A 247 -2.768 37.878 -9.135 1.00 0.00 C \r\n< ATOM 3839 O ILE A 247 -2.581 38.879 -8.460 1.00 0.00 O \r\n< ATOM 3840 CB ILE A 247 -3.935 35.700 -8.824 1.00 0.00 C \r\n< ATOM 3841 CG1 ILE A 247 -5.298 35.027 -8.642 1.00 0.00 C \r\n< ATOM 3842 CG2 ILE A 247 -3.067 35.493 -7.592 1.00 0.00 C \r\n< ATOM 3843 CD1 ILE A 247 -5.214 33.543 -8.367 1.00 0.00 C \r\n< ATOM 3844 H ILE A 247 -4.423 36.990 -11.224 1.00 0.00 H \r\n< ATOM 3845 HA ILE A 247 -4.725 37.565 -8.287 1.00 0.00 H \r\n< ATOM 3846 HB ILE A 247 -3.458 35.220 -9.678 1.00 0.00 H \r\n< ATOM 3847 1HG1 ILE A 247 -5.829 35.498 -7.816 1.00 0.00 H \r\n< ATOM 3848 2HG1 ILE A 247 -5.898 35.173 -9.541 1.00 0.00 H \r\n< ATOM 3849 1HG2 ILE A 247 -2.953 34.426 -7.403 1.00 0.00 H \r\n< ATOM 3850 2HG2 ILE A 247 -2.088 35.939 -7.758 1.00 0.00 H \r\n< ATOM 3851 3HG2 ILE A 247 -3.539 35.966 -6.731 1.00 0.00 H \r\n< ATOM 3852 1HD1 ILE A 247 -6.219 33.137 -8.251 1.00 0.00 H \r\n< ATOM 3853 2HD1 ILE A 247 -4.716 33.046 -9.200 1.00 0.00 H \r\n< ATOM 3854 3HD1 ILE A 247 -4.648 33.374 -7.452 1.00 0.00 H \r\n< ATOM 3855 N TYR A 248 -1.743 37.098 -9.837 1.00 0.00 N \r\n< ATOM 3856 CA TYR A 248 -0.524 37.768 -10.210 1.00 0.00 C \r\n< ATOM 3857 C TYR A 248 0.285 36.942 -11.174 1.00 0.00 C \r\n< ATOM 3858 O TYR A 248 -0.089 35.822 -11.492 1.00 0.00 O \r\n< ATOM 3859 CB TYR A 248 0.307 38.095 -8.967 1.00 0.00 C \r\n< ATOM 3860 CG TYR A 248 0.499 36.920 -8.034 1.00 0.00 C \r\n< ATOM 3861 CD1 TYR A 248 1.015 35.727 -8.519 1.00 0.00 C \r\n< ATOM 3862 CD2 TYR A 248 0.159 37.035 -6.695 1.00 0.00 C \r\n< ATOM 3863 CE1 TYR A 248 1.191 34.653 -7.667 1.00 0.00 C \r\n< ATOM 3864 CE2 TYR A 248 0.335 35.961 -5.843 1.00 0.00 C \r\n< ATOM 3865 CZ TYR A 248 0.848 34.775 -6.325 1.00 0.00 C \r\n< ATOM 3866 OH TYR A 248 1.023 33.706 -5.477 1.00 0.00 O \r\n< ATOM 3867 H TYR A 248 -1.875 36.133 -10.102 1.00 0.00 H \r\n< ATOM 3868 HA TYR A 248 -0.756 38.716 -10.694 1.00 0.00 H \r\n< ATOM 3869 1HB TYR A 248 1.291 38.453 -9.271 1.00 0.00 H \r\n< ATOM 3870 2HB TYR A 248 -0.175 38.897 -8.408 1.00 0.00 H \r\n< ATOM 3871 HD1 TYR A 248 1.282 35.637 -9.572 1.00 0.00 H \r\n< ATOM 3872 HD2 TYR A 248 -0.247 37.972 -6.314 1.00 0.00 H \r\n< ATOM 3873 HE1 TYR A 248 1.596 33.717 -8.048 1.00 0.00 H \r\n< ATOM 3874 HE2 TYR A 248 0.067 36.051 -4.790 1.00 0.00 H \r\n< ATOM 3875 HH TYR A 248 0.244 33.606 -4.924 1.00 0.00 H \r\n< ATOM 3876 N GLN A 249 1.427 37.451 -11.603 1.00 0.00 N \r\n< ATOM 3877 CA GLN A 249 2.186 36.790 -12.627 1.00 0.00 C \r\n< ATOM 3878 C GLN A 249 2.590 35.417 -12.134 1.00 0.00 C \r\n< ATOM 3879 O GLN A 249 2.953 35.211 -10.981 1.00 0.00 O \r\n< ATOM 3880 CB GLN A 249 3.424 37.609 -13.005 1.00 0.00 C \r\n< ATOM 3881 CG GLN A 249 4.245 37.011 -14.134 1.00 0.00 C \r\n< ATOM 3882 CD GLN A 249 5.349 37.940 -14.601 1.00 0.00 C \r\n< ATOM 3883 OE1 GLN A 249 6.237 38.311 -13.827 1.00 0.00 O \r\n< ATOM 3884 NE2 GLN A 249 5.299 38.326 -15.871 1.00 0.00 N \r\n< ATOM 3885 H GLN A 249 1.775 38.314 -11.212 1.00 0.00 H \r\n< ATOM 3886 HA GLN A 249 1.565 36.655 -13.513 1.00 0.00 H \r\n< ATOM 3887 1HB GLN A 249 3.071 38.600 -13.290 1.00 0.00 H \r\n< ATOM 3888 2HB GLN A 249 4.035 37.687 -12.106 1.00 0.00 H \r\n< ATOM 3889 1HG GLN A 249 4.652 36.001 -14.096 1.00 0.00 H \r\n< ATOM 3890 2HG GLN A 249 3.433 37.047 -14.861 1.00 0.00 H \r\n< ATOM 3891 1HE2 GLN A 249 6.000 38.939 -16.236 1.00 0.00 H \r\n< ATOM 3892 2HE2 GLN A 249 4.561 38.002 -16.463 1.00 0.00 H \r\n< ATOM 3893 N ALA A 250 2.577 34.410 -12.998 1.00 0.00 N \r\n< ATOM 3894 CA ALA A 250 2.931 33.054 -12.614 1.00 0.00 C \r\n< ATOM 3895 C ALA A 250 3.404 32.300 -13.852 1.00 0.00 C \r\n< ATOM 3896 O ALA A 250 2.665 32.213 -14.843 1.00 0.00 O \r\n< ATOM 3897 CB ALA A 250 1.752 32.347 -11.961 1.00 0.00 C \r\n< ATOM 3898 H ALA A 250 2.310 34.598 -13.953 1.00 0.00 H \r\n< ATOM 3899 HA ALA A 250 3.690 33.099 -11.832 1.00 0.00 H \r\n< ATOM 3900 1HB ALA A 250 2.038 31.328 -11.700 1.00 0.00 H \r\n< ATOM 3901 2HB ALA A 250 1.459 32.884 -11.059 1.00 0.00 H \r\n< ATOM 3902 3HB ALA A 250 0.914 32.321 -12.656 1.00 0.00 H \r\n< ATOM 3903 N SER A 251 4.607 31.723 -13.870 1.00 0.00 N \r\n< ATOM 3904 CA SER A 251 5.021 31.040 -15.097 1.00 0.00 C \r\n< ATOM 3905 C SER A 251 4.985 29.523 -14.940 1.00 0.00 C \r\n< ATOM 3906 O SER A 251 5.059 29.007 -13.826 1.00 0.00 O \r\n< ATOM 3907 CB SER A 251 6.412 31.491 -15.499 1.00 0.00 C \r\n< ATOM 3908 OG SER A 251 7.394 31.017 -14.619 1.00 0.00 O \r\n< ATOM 3909 H SER A 251 5.236 31.739 -13.080 1.00 0.00 H \r\n< ATOM 3910 HA SER A 251 4.449 31.342 -15.975 1.00 0.00 H \r\n< ATOM 3911 1HB SER A 251 6.623 31.118 -16.501 1.00 0.00 H \r\n< ATOM 3912 2HB SER A 251 6.437 32.580 -15.505 1.00 0.00 H \r\n< ATOM 3913 HG SER A 251 8.176 31.570 -14.685 1.00 0.00 H \r\n< ATOM 3914 N GLY A 252 4.884 28.749 -16.026 1.00 0.00 N \r\n< ATOM 3915 CA GLY A 252 4.850 27.316 -15.880 1.00 0.00 C \r\n< ATOM 3916 C GLY A 252 3.550 26.783 -15.281 1.00 0.00 C \r\n< ATOM 3917 O GLY A 252 3.532 25.661 -14.783 1.00 0.00 O \r\n< ATOM 3918 H GLY A 252 4.831 29.151 -16.951 1.00 0.00 H \r\n< ATOM 3919 1HA GLY A 252 4.974 26.855 -16.860 1.00 0.00 H \r\n< ATOM 3920 2HA GLY A 252 5.665 27.005 -15.228 1.00 0.00 H \r\n< ATOM 3921 N GLY A 253 2.450 27.538 -15.327 1.00 0.00 N \r\n< ATOM 3922 CA GLY A 253 1.155 27.082 -14.829 1.00 0.00 C \r\n---\r\n> ATOM 3830 HA THR A 246 -6.900 39.749 -11.355 1.00 0.00 H \r\n> ATOM 3831 HB THR A 246 -7.179 36.903 -12.435 1.00 0.00 H \r\n> ATOM 3832 HG1 THR A 246 -7.538 38.390 -14.111 1.00 0.00 H \r\n> ATOM 3833 1HG2 THR A 246 -9.466 37.071 -11.519 1.00 0.00 H \r\n> ATOM 3834 2HG2 THR A 246 -8.248 37.300 -10.243 1.00 0.00 H \r\n> ATOM 3835 3HG2 THR A 246 -9.106 38.706 -10.918 1.00 0.00 H \r\n> ATOM 3836 N ILE A 247 -4.892 37.138 -10.412 1.00 0.00 N \r\n> ATOM 3837 CA ILE A 247 -4.151 37.043 -9.151 1.00 0.00 C \r\n> ATOM 3838 C ILE A 247 -2.803 37.686 -9.335 1.00 0.00 C \r\n> ATOM 3839 O ILE A 247 -2.559 38.749 -8.785 1.00 0.00 O \r\n> ATOM 3840 CB ILE A 247 -3.964 35.589 -8.682 1.00 0.00 C \r\n> ATOM 3841 CG1 ILE A 247 -5.324 34.930 -8.430 1.00 0.00 C \r\n> ATOM 3842 CG2 ILE A 247 -3.104 35.540 -7.429 1.00 0.00 C \r\n> ATOM 3843 CD1 ILE A 247 -5.249 33.434 -8.225 1.00 0.00 C \r\n> ATOM 3844 H ILE A 247 -4.569 36.613 -11.212 1.00 0.00 H \r\n> ATOM 3845 HA ILE A 247 -4.709 37.514 -8.343 1.00 0.00 H \r\n> ATOM 3846 HB ILE A 247 -3.483 35.019 -9.477 1.00 0.00 H \r\n> ATOM 3847 1HG1 ILE A 247 -5.750 35.397 -7.543 1.00 0.00 H \r\n> ATOM 3848 2HG1 ILE A 247 -5.954 35.149 -9.293 1.00 0.00 H \r\n> ATOM 3849 1HG2 ILE A 247 -2.983 34.505 -7.112 1.00 0.00 H \r\n> ATOM 3850 2HG2 ILE A 247 -2.128 35.971 -7.642 1.00 0.00 H \r\n> ATOM 3851 3HG2 ILE A 247 -3.587 36.109 -6.634 1.00 0.00 H \r\n> ATOM 3852 1HD1 ILE A 247 -6.251 33.040 -8.052 1.00 0.00 H \r\n> ATOM 3853 2HD1 ILE A 247 -4.823 32.966 -9.114 1.00 0.00 H \r\n> ATOM 3854 3HD1 ILE A 247 -4.621 33.215 -7.364 1.00 0.00 H \r\n> ATOM 3855 N TYR A 248 -1.881 37.072 -10.054 1.00 0.00 N \r\n> ATOM 3856 CA TYR A 248 -0.591 37.680 -10.253 1.00 0.00 C \r\n> ATOM 3857 C TYR A 248 0.215 36.936 -11.285 1.00 0.00 C \r\n> ATOM 3858 O TYR A 248 -0.192 35.877 -11.739 1.00 0.00 O \r\n> ATOM 3859 CB TYR A 248 0.231 37.718 -8.955 1.00 0.00 C \r\n> ATOM 3860 CG TYR A 248 0.965 36.440 -8.628 1.00 0.00 C \r\n> ATOM 3861 CD1 TYR A 248 0.326 35.223 -8.731 1.00 0.00 C \r\n> ATOM 3862 CD2 TYR A 248 2.276 36.511 -8.192 1.00 0.00 C \r\n> ATOM 3863 CE1 TYR A 248 1.005 34.072 -8.388 1.00 0.00 C \r\n> ATOM 3864 CE2 TYR A 248 2.967 35.361 -7.834 1.00 0.00 C \r\n> ATOM 3865 CZ TYR A 248 2.316 34.143 -7.946 1.00 0.00 C \r\n> ATOM 3866 OH TYR A 248 2.989 32.979 -7.617 1.00 0.00 O \r\n> ATOM 3867 H TYR A 248 -2.070 36.172 -10.470 1.00 0.00 H \r\n> ATOM 3868 HA TYR A 248 -0.715 38.706 -10.601 1.00 0.00 H \r\n> ATOM 3869 1HB TYR A 248 0.957 38.526 -9.056 1.00 0.00 H \r\n> ATOM 3870 2HB TYR A 248 -0.458 37.947 -8.143 1.00 0.00 H \r\n> ATOM 3871 HD1 TYR A 248 -0.705 35.199 -9.081 1.00 0.00 H \r\n> ATOM 3872 HD2 TYR A 248 2.760 37.486 -8.134 1.00 0.00 H \r\n> ATOM 3873 HE1 TYR A 248 0.514 33.102 -8.464 1.00 0.00 H \r\n> ATOM 3874 HE2 TYR A 248 3.994 35.432 -7.475 1.00 0.00 H \r\n> ATOM 3875 HH TYR A 248 3.845 33.143 -7.214 1.00 0.00 H \r\n> ATOM 3876 N GLN A 249 1.388 37.443 -11.622 1.00 0.00 N \r\n> ATOM 3877 CA GLN A 249 2.214 36.794 -12.602 1.00 0.00 C \r\n> ATOM 3878 C GLN A 249 2.572 35.409 -12.105 1.00 0.00 C \r\n> ATOM 3879 O GLN A 249 2.850 35.179 -10.933 1.00 0.00 O \r\n> ATOM 3880 CB GLN A 249 3.481 37.609 -12.875 1.00 0.00 C \r\n> ATOM 3881 CG GLN A 249 4.376 37.023 -13.953 1.00 0.00 C \r\n> ATOM 3882 CD GLN A 249 5.518 37.951 -14.324 1.00 0.00 C \r\n> ATOM 3883 OE1 GLN A 249 6.351 38.301 -13.482 1.00 0.00 O \r\n> ATOM 3884 NE2 GLN A 249 5.561 38.358 -15.588 1.00 0.00 N \r\n> ATOM 3885 H GLN A 249 1.714 38.296 -11.191 1.00 0.00 H \r\n> ATOM 3886 HA GLN A 249 1.656 36.680 -13.531 1.00 0.00 H \r\n> ATOM 3887 1HB GLN A 249 3.157 38.607 -13.167 1.00 0.00 H \r\n> ATOM 3888 2HB GLN A 249 4.028 37.666 -11.933 1.00 0.00 H \r\n> ATOM 3889 1HG GLN A 249 4.772 36.009 -13.905 1.00 0.00 H \r\n> ATOM 3890 2HG GLN A 249 3.619 37.079 -14.736 1.00 0.00 H \r\n> ATOM 3891 1HE2 GLN A 249 6.291 38.972 -15.890 1.00 0.00 H \r\n> ATOM 3892 2HE2 GLN A 249 4.866 38.052 -16.236 1.00 0.00 H \r\n> ATOM 3893 N ALA A 250 2.612 34.417 -12.986 1.00 0.00 N \r\n> ATOM 3894 CA ALA A 250 2.928 33.051 -12.602 1.00 0.00 C \r\n> ATOM 3895 C ALA A 250 3.417 32.295 -13.833 1.00 0.00 C \r\n> ATOM 3896 O ALA A 250 2.695 32.215 -14.836 1.00 0.00 O \r\n> ATOM 3897 CB ALA A 250 1.687 32.294 -12.076 1.00 0.00 C \r\n> ATOM 3898 H ALA A 250 2.416 34.624 -13.954 1.00 0.00 H \r\n> ATOM 3899 HA ALA A 250 3.668 33.076 -11.801 1.00 0.00 H \r\n> ATOM 3900 1HB ALA A 250 1.972 31.278 -11.801 1.00 0.00 H \r\n> ATOM 3901 2HB ALA A 250 1.290 32.809 -11.201 1.00 0.00 H \r\n> ATOM 3902 3HB ALA A 250 0.926 32.259 -12.854 1.00 0.00 H \r\n> ATOM 3903 N SER A 251 4.615 31.709 -13.831 1.00 0.00 N \r\n> ATOM 3904 CA SER A 251 5.042 31.019 -15.049 1.00 0.00 C \r\n> ATOM 3905 C SER A 251 4.992 29.503 -14.889 1.00 0.00 C \r\n> ATOM 3906 O SER A 251 5.044 28.989 -13.772 1.00 0.00 O \r\n> ATOM 3907 CB SER A 251 6.443 31.457 -15.431 1.00 0.00 C \r\n> ATOM 3908 OG SER A 251 7.407 30.978 -14.535 1.00 0.00 O \r\n> ATOM 3909 H SER A 251 5.232 31.722 -13.031 1.00 0.00 H \r\n> ATOM 3910 HA SER A 251 4.486 31.323 -15.937 1.00 0.00 H \r\n> ATOM 3911 1HB SER A 251 6.666 31.080 -16.429 1.00 0.00 H \r\n> ATOM 3912 2HB SER A 251 6.477 32.546 -15.439 1.00 0.00 H \r\n> ATOM 3913 HG SER A 251 8.195 31.524 -14.590 1.00 0.00 H \r\n> ATOM 3914 N GLY A 252 4.901 28.726 -15.974 1.00 0.00 N \r\n> ATOM 3915 CA GLY A 252 4.853 27.294 -15.825 1.00 0.00 C \r\n> ATOM 3916 C GLY A 252 3.540 26.773 -15.244 1.00 0.00 C \r\n> ATOM 3917 O GLY A 252 3.505 25.653 -14.744 1.00 0.00 O \r\n> ATOM 3918 H GLY A 252 4.866 29.126 -16.901 1.00 0.00 H \r\n> ATOM 3919 1HA GLY A 252 4.988 26.829 -16.801 1.00 0.00 H \r\n> ATOM 3920 2HA GLY A 252 5.655 26.978 -15.159 1.00 0.00 H \r\n> ATOM 3921 N GLY A 253 2.447 27.537 -15.310 1.00 0.00 N \r\n> ATOM 3922 CA GLY A 253 1.140 27.093 -14.830 1.00 0.00 C \r\n3939,3942c3939,3942\r\n< ATOM 3924 O GLY A 253 0.593 26.185 -16.970 1.00 0.00 O \r\n< ATOM 3925 H GLY A 253 2.526 28.463 -15.725 1.00 0.00 H \r\n< ATOM 3926 1HA GLY A 253 1.296 26.595 -13.864 1.00 0.00 H \r\n< ATOM 3927 2HA GLY A 253 0.497 27.942 -14.709 1.00 0.00 H \r\n---\r\n> ATOM 3924 O GLY A 253 0.605 26.176 -16.969 1.00 0.00 O \r\n> ATOM 3925 H GLY A 253 2.536 28.460 -15.709 1.00 0.00 H \r\n> ATOM 3926 1HA GLY A 253 1.261 26.620 -13.856 1.00 0.00 H \r\n> ATOM 3927 2HA GLY A 253 0.484 27.957 -14.736 1.00 0.00 H \r\n4174,4178c4174,4178\r\n< ATOM 4159 C THR A 268 -9.540 28.155 -12.232 1.00 0.00 C \r\n< ATOM 4160 O THR A 268 -9.954 29.307 -12.389 1.00 0.00 O \r\n< ATOM 4161 CB THR A 268 -7.093 27.992 -12.753 1.00 0.00 C \r\n< ATOM 4162 OG1 THR A 268 -6.113 27.205 -13.443 1.00 0.00 O \r\n< ATOM 4163 CG2 THR A 268 -6.891 27.846 -11.253 1.00 0.00 C \r\n---\r\n> ATOM 4159 C THR A 268 -9.497 28.214 -12.227 1.00 0.00 C \r\n> ATOM 4160 O THR A 268 -9.796 29.406 -12.343 1.00 0.00 O \r\n> ATOM 4161 CB THR A 268 -7.073 27.931 -12.760 1.00 0.00 C \r\n> ATOM 4162 OG1 THR A 268 -6.955 27.945 -11.332 1.00 0.00 O \r\n> ATOM 4163 CG2 THR A 268 -6.737 29.312 -13.306 1.00 0.00 C \r\n4180,4387c4180,4387\r\n< ATOM 4165 HA THR A 268 -8.532 26.446 -13.022 1.00 0.00 H \r\n< ATOM 4166 HB THR A 268 -6.961 29.038 -13.031 1.00 0.00 H \r\n< ATOM 4167 HG1 THR A 268 -5.281 27.240 -12.965 1.00 0.00 H \r\n< ATOM 4168 1HG2 THR A 268 -5.888 28.179 -10.986 1.00 0.00 H \r\n< ATOM 4169 2HG2 THR A 268 -7.627 28.452 -10.725 1.00 0.00 H \r\n< ATOM 4170 3HG2 THR A 268 -7.013 26.801 -10.970 1.00 0.00 H \r\n< ATOM 4171 N PHE A 269 -10.001 27.386 -11.260 1.00 0.00 N \r\n< ATOM 4172 CA PHE A 269 -10.957 27.903 -10.300 1.00 0.00 C \r\n< ATOM 4173 C PHE A 269 -10.238 28.104 -8.996 1.00 0.00 C \r\n< ATOM 4174 O PHE A 269 -9.487 27.239 -8.584 1.00 0.00 O \r\n< ATOM 4175 CB PHE A 269 -12.079 26.925 -9.993 1.00 0.00 C \r\n< ATOM 4176 CG PHE A 269 -13.092 26.651 -11.081 1.00 0.00 C \r\n< ATOM 4177 CD1 PHE A 269 -12.792 25.785 -12.117 1.00 0.00 C \r\n< ATOM 4178 CD2 PHE A 269 -14.318 27.316 -11.019 1.00 0.00 C \r\n< ATOM 4179 CE1 PHE A 269 -13.724 25.612 -13.116 1.00 0.00 C \r\n< ATOM 4180 CE2 PHE A 269 -15.239 27.156 -12.037 1.00 0.00 C \r\n< ATOM 4181 CZ PHE A 269 -14.930 26.302 -13.080 1.00 0.00 C \r\n< ATOM 4182 H PHE A 269 -9.689 26.429 -11.178 1.00 0.00 H \r\n< ATOM 4183 HA PHE A 269 -11.417 28.813 -10.687 1.00 0.00 H \r\n< ATOM 4184 1HB PHE A 269 -11.668 25.946 -9.751 1.00 0.00 H \r\n< ATOM 4185 2HB PHE A 269 -12.672 27.287 -9.155 1.00 0.00 H \r\n< ATOM 4186 HD1 PHE A 269 -11.834 25.267 -12.116 1.00 0.00 H \r\n< ATOM 4187 HD2 PHE A 269 -14.538 27.983 -10.186 1.00 0.00 H \r\n< ATOM 4188 HE1 PHE A 269 -13.517 24.930 -13.941 1.00 0.00 H \r\n< ATOM 4189 HE2 PHE A 269 -16.191 27.685 -12.030 1.00 0.00 H \r\n< ATOM 4190 HZ PHE A 269 -15.653 26.180 -13.885 1.00 0.00 H \r\n< ATOM 4191 N GLU A 270 -10.474 29.233 -8.338 1.00 0.00 N \r\n< ATOM 4192 CA GLU A 270 -9.934 29.541 -7.030 1.00 0.00 C \r\n< ATOM 4193 C GLU A 270 -11.142 29.470 -6.102 1.00 0.00 C \r\n< ATOM 4194 O GLU A 270 -12.001 30.350 -6.117 1.00 0.00 O \r\n< ATOM 4195 CB GLU A 270 -9.268 30.919 -6.989 1.00 0.00 C \r\n< ATOM 4196 CG GLU A 270 -8.095 31.078 -7.946 1.00 0.00 C \r\n< ATOM 4197 CD GLU A 270 -6.895 30.267 -7.540 1.00 0.00 C \r\n< ATOM 4198 OE1 GLU A 270 -6.755 29.991 -6.373 1.00 0.00 O \r\n< ATOM 4199 OE2 GLU A 270 -6.118 29.923 -8.400 1.00 0.00 O \r\n< ATOM 4200 H GLU A 270 -11.071 29.907 -8.795 1.00 0.00 H \r\n< ATOM 4201 HA GLU A 270 -9.127 28.848 -6.791 1.00 0.00 H \r\n< ATOM 4202 1HB GLU A 270 -10.004 31.686 -7.231 1.00 0.00 H \r\n< ATOM 4203 2HB GLU A 270 -8.907 31.118 -5.980 1.00 0.00 H \r\n< ATOM 4204 1HG GLU A 270 -8.407 30.769 -8.943 1.00 0.00 H \r\n< ATOM 4205 2HG GLU A 270 -7.817 32.130 -7.991 1.00 0.00 H \r\n< ATOM 4206 N LEU A 271 -11.293 28.441 -5.292 1.00 0.00 N \r\n< ATOM 4207 CA LEU A 271 -12.498 28.346 -4.481 1.00 0.00 C \r\n< ATOM 4208 C LEU A 271 -12.501 29.236 -3.241 1.00 0.00 C \r\n< ATOM 4209 O LEU A 271 -11.653 30.110 -3.069 1.00 0.00 O \r\n< ATOM 4210 CB LEU A 271 -12.710 26.884 -4.067 1.00 0.00 C \r\n< ATOM 4211 CG LEU A 271 -12.743 25.877 -5.223 1.00 0.00 C \r\n< ATOM 4212 CD1 LEU A 271 -12.936 24.467 -4.681 1.00 0.00 C \r\n< ATOM 4213 CD2 LEU A 271 -13.863 26.242 -6.185 1.00 0.00 C \r\n< ATOM 4214 H LEU A 271 -10.593 27.717 -5.220 1.00 0.00 H \r\n< ATOM 4215 HA LEU A 271 -13.355 28.688 -5.060 1.00 0.00 H \r\n< ATOM 4216 1HB LEU A 271 -11.812 26.738 -3.469 1.00 0.00 H \r\n< ATOM 4217 2HB LEU A 271 -13.590 26.768 -3.435 1.00 0.00 H \r\n< ATOM 4218 HG LEU A 271 -11.799 25.968 -5.760 1.00 0.00 H \r\n< ATOM 4219 1HD1 LEU A 271 -12.958 23.757 -5.508 1.00 0.00 H \r\n< ATOM 4220 2HD1 LEU A 271 -12.111 24.217 -4.014 1.00 0.00 H \r\n< ATOM 4221 3HD1 LEU A 271 -13.876 24.413 -4.133 1.00 0.00 H \r\n< ATOM 4222 1HD2 LEU A 271 -13.885 25.525 -7.006 1.00 0.00 H \r\n< ATOM 4223 2HD2 LEU A 271 -14.817 26.221 -5.657 1.00 0.00 H \r\n< ATOM 4224 3HD2 LEU A 271 -13.692 27.242 -6.582 1.00 0.00 H \r\n< ATOM 4225 N ARG A 272 -13.488 29.027 -2.361 1.00 0.00 N \r\n< ATOM 4226 CA ARG A 272 -13.614 29.850 -1.182 1.00 0.00 C \r\n< ATOM 4227 C ARG A 272 -12.355 29.786 -0.330 1.00 0.00 C \r\n< ATOM 4228 O ARG A 272 -11.606 28.814 -0.369 1.00 0.00 O \r\n< ATOM 4229 CB ARG A 272 -14.813 29.410 -0.355 1.00 0.00 C \r\n< ATOM 4230 CG ARG A 272 -16.166 29.743 -0.962 1.00 0.00 C \r\n< ATOM 4231 CD ARG A 272 -17.262 29.609 0.031 1.00 0.00 C \r\n< ATOM 4232 NE ARG A 272 -18.573 29.670 -0.596 1.00 0.00 N \r\n< ATOM 4233 CZ ARG A 272 -19.736 29.797 0.073 1.00 0.00 C \r\n< ATOM 4234 NH1 ARG A 272 -19.734 29.875 1.386 1.00 0.00 N \r\n< ATOM 4235 NH2 ARG A 272 -20.878 29.843 -0.590 1.00 0.00 N \r\n< ATOM 4236 H ARG A 272 -14.156 28.286 -2.518 1.00 0.00 H \r\n< ATOM 4237 HA ARG A 272 -13.835 30.877 -1.472 1.00 0.00 H \r\n< ATOM 4238 1HB ARG A 272 -14.775 28.333 -0.204 1.00 0.00 H \r\n< ATOM 4239 2HB ARG A 272 -14.768 29.880 0.628 1.00 0.00 H \r\n< ATOM 4240 1HG ARG A 272 -16.159 30.770 -1.329 1.00 0.00 H \r\n< ATOM 4241 2HG ARG A 272 -16.370 29.063 -1.791 1.00 0.00 H \r\n< ATOM 4242 1HD ARG A 272 -17.174 28.652 0.544 1.00 0.00 H \r\n< ATOM 4243 2HD ARG A 272 -17.194 30.417 0.758 1.00 0.00 H \r\n< ATOM 4244 HE ARG A 272 -18.615 29.613 -1.604 1.00 0.00 H \r\n< ATOM 4245 1HH1 ARG A 272 -18.861 29.840 1.893 1.00 0.00 H \r\n< ATOM 4246 2HH1 ARG A 272 -20.605 29.970 1.887 1.00 0.00 H \r\n< ATOM 4247 1HH2 ARG A 272 -20.879 29.783 -1.599 1.00 0.00 H \r\n< ATOM 4248 2HH2 ARG A 272 -21.749 29.938 -0.089 1.00 0.00 H \r\n< ATOM 4249 N ASP A 273 -12.088 30.728 0.563 1.00 0.00 N \r\n< ATOM 4250 CA ASP A 273 -12.879 31.929 0.657 1.00 0.00 C \r\n< ATOM 4251 C ASP A 273 -11.986 33.085 0.234 1.00 0.00 C \r\n< ATOM 4252 O ASP A 273 -11.155 32.934 -0.663 1.00 0.00 O \r\n< ATOM 4253 CB ASP A 273 -13.412 32.140 2.077 1.00 0.00 C \r\n< ATOM 4254 CG ASP A 273 -12.305 32.222 3.119 1.00 0.00 C \r\n< ATOM 4255 OD1 ASP A 273 -11.157 32.212 2.740 1.00 0.00 O \r\n< ATOM 4256 OD2 ASP A 273 -12.617 32.294 4.283 1.00 0.00 O \r\n< ATOM 4257 H ASP A 273 -11.310 30.601 1.194 1.00 0.00 H \r\n< ATOM 4258 HA ASP A 273 -13.728 31.866 -0.024 1.00 0.00 H \r\n< ATOM 4259 1HB ASP A 273 -13.995 33.060 2.114 1.00 0.00 H \r\n< ATOM 4260 2HB ASP A 273 -14.079 31.319 2.341 1.00 0.00 H \r\n< ATOM 4261 N THR A 274 -12.145 34.286 0.793 1.00 0.00 N \r\n< ATOM 4262 CA THR A 274 -11.310 35.403 0.353 1.00 0.00 C \r\n< ATOM 4263 C THR A 274 -10.211 35.672 1.363 1.00 0.00 C \r\n< ATOM 4264 O THR A 274 -9.553 36.702 1.368 1.00 0.00 O \r\n< ATOM 4265 CB THR A 274 -12.144 36.680 0.142 1.00 0.00 C \r\n< ATOM 4266 OG1 THR A 274 -12.788 37.042 1.370 1.00 0.00 O \r\n< ATOM 4267 CG2 THR A 274 -13.198 36.457 -0.932 1.00 0.00 C \r\n< ATOM 4268 H THR A 274 -12.832 34.441 1.516 1.00 0.00 H \r\n< ATOM 4269 HA THR A 274 -10.829 35.153 -0.593 1.00 0.00 H \r\n< ATOM 4270 HB THR A 274 -11.489 37.496 -0.163 1.00 0.00 H \r\n< ATOM 4271 HG1 THR A 274 -12.503 37.920 1.633 1.00 0.00 H \r\n< ATOM 4272 1HG2 THR A 274 -13.777 37.370 -1.068 1.00 0.00 H \r\n< ATOM 4273 2HG2 THR A 274 -12.711 36.193 -1.871 1.00 0.00 H \r\n< ATOM 4274 3HG2 THR A 274 -13.862 35.649 -0.628 1.00 0.00 H \r\n< ATOM 4275 N GLY A 275 -9.984 34.754 2.293 1.00 0.00 N \r\n< ATOM 4276 CA GLY A 275 -8.944 35.020 3.246 1.00 0.00 C \r\n< ATOM 4277 C GLY A 275 -9.372 35.021 4.705 1.00 0.00 C \r\n< ATOM 4278 O GLY A 275 -8.455 35.076 5.543 1.00 0.00 O \r\n< ATOM 4279 H GLY A 275 -10.503 33.889 2.360 1.00 0.00 H \r\n< ATOM 4280 1HA GLY A 275 -8.168 34.261 3.147 1.00 0.00 H \r\n< ATOM 4281 2HA GLY A 275 -8.517 36.002 3.043 1.00 0.00 H \r\n< ATOM 4282 N ARG A 276 -10.671 34.974 5.043 1.00 0.00 N \r\n< ATOM 4283 CA ARG A 276 -11.052 34.877 6.449 1.00 0.00 C \r\n< ATOM 4284 C ARG A 276 -10.585 33.569 7.024 1.00 0.00 C \r\n< ATOM 4285 O ARG A 276 -9.979 33.598 8.091 1.00 0.00 O \r\n< ATOM 4286 CB ARG A 276 -12.559 34.992 6.620 1.00 0.00 C \r\n< ATOM 4287 CG ARG A 276 -13.050 34.885 8.055 1.00 0.00 C \r\n< ATOM 4288 CD ARG A 276 -14.523 35.053 8.145 1.00 0.00 C \r\n< ATOM 4289 NE ARG A 276 -15.007 34.872 9.505 1.00 0.00 N \r\n< ATOM 4290 CZ ARG A 276 -16.307 34.813 9.853 1.00 0.00 C \r\n< ATOM 4291 NH1 ARG A 276 -17.239 34.920 8.932 1.00 0.00 N \r\n< ATOM 4292 NH2 ARG A 276 -16.645 34.646 11.119 1.00 0.00 N \r\n< ATOM 4293 H ARG A 276 -11.395 35.005 4.339 1.00 0.00 H \r\n< ATOM 4294 HA ARG A 276 -10.639 35.722 7.002 1.00 0.00 H \r\n< ATOM 4295 1HB ARG A 276 -12.898 35.949 6.226 1.00 0.00 H \r\n< ATOM 4296 2HB ARG A 276 -13.052 34.209 6.043 1.00 0.00 H \r\n< ATOM 4297 1HG ARG A 276 -12.791 33.905 8.456 1.00 0.00 H \r\n< ATOM 4298 2HG ARG A 276 -12.579 35.661 8.660 1.00 0.00 H \r\n< ATOM 4299 1HD ARG A 276 -14.796 36.055 7.817 1.00 0.00 H \r\n< ATOM 4300 2HD ARG A 276 -15.013 34.316 7.509 1.00 0.00 H \r\n< ATOM 4301 HE ARG A 276 -14.319 34.786 10.241 1.00 0.00 H \r\n< ATOM 4302 1HH1 ARG A 276 -16.981 35.048 7.964 1.00 0.00 H \r\n< ATOM 4303 2HH1 ARG A 276 -18.214 34.875 9.192 1.00 0.00 H \r\n< ATOM 4304 1HH2 ARG A 276 -15.928 34.563 11.827 1.00 0.00 H \r\n< ATOM 4305 2HH2 ARG A 276 -17.619 34.601 11.380 1.00 0.00 H \r\n< ATOM 4306 N TYR A 277 -10.808 32.410 6.387 1.00 0.00 N \r\n< ATOM 4307 CA TYR A 277 -10.268 31.154 6.857 1.00 0.00 C \r\n< ATOM 4308 C TYR A 277 -9.156 30.705 5.923 1.00 0.00 C \r\n< ATOM 4309 O TYR A 277 -8.267 29.956 6.334 1.00 0.00 O \r\n< ATOM 4310 CB TYR A 277 -11.364 30.090 6.952 1.00 0.00 C \r\n< ATOM 4311 CG TYR A 277 -12.495 30.461 7.885 1.00 0.00 C \r\n< ATOM 4312 CD1 TYR A 277 -13.667 31.000 7.375 1.00 0.00 C \r\n< ATOM 4313 CD2 TYR A 277 -12.361 30.261 9.251 1.00 0.00 C \r\n< ATOM 4314 CE1 TYR A 277 -14.700 31.339 8.227 1.00 0.00 C \r\n< ATOM 4315 CE2 TYR A 277 -13.394 30.599 10.103 1.00 0.00 C \r\n< ATOM 4316 CZ TYR A 277 -14.559 31.136 9.596 1.00 0.00 C \r\n< ATOM 4317 OH TYR A 277 -15.588 31.473 10.445 1.00 0.00 O \r\n< ATOM 4318 H TYR A 277 -11.374 32.420 5.550 1.00 0.00 H \r\n< ATOM 4319 HA TYR A 277 -9.881 31.273 7.869 1.00 0.00 H \r\n< ATOM 4320 1HB TYR A 277 -11.784 29.911 5.961 1.00 0.00 H \r\n< ATOM 4321 2HB TYR A 277 -10.931 29.152 7.298 1.00 0.00 H \r\n< ATOM 4322 HD1 TYR A 277 -13.772 31.157 6.301 1.00 0.00 H \r\n< ATOM 4323 HD2 TYR A 277 -11.440 29.838 9.652 1.00 0.00 H \r\n< ATOM 4324 HE1 TYR A 277 -15.620 31.762 7.827 1.00 0.00 H \r\n< ATOM 4325 HE2 TYR A 277 -13.288 30.443 11.177 1.00 0.00 H \r\n< ATOM 4326 HH TYR A 277 -15.364 31.206 11.340 1.00 0.00 H \r\n< ATOM 4327 N GLY A 278 -9.128 31.128 4.658 1.00 0.00 N \r\n< ATOM 4328 CA GLY A 278 -8.017 30.808 3.759 1.00 0.00 C \r\n< ATOM 4329 C GLY A 278 -7.970 29.324 3.402 1.00 0.00 C \r\n< ATOM 4330 O GLY A 278 -8.957 28.775 2.922 1.00 0.00 O \r\n< ATOM 4331 H GLY A 278 -9.895 31.687 4.312 1.00 0.00 H \r\n< ATOM 4332 1HA GLY A 278 -8.127 31.381 2.838 1.00 0.00 H \r\n< ATOM 4333 2HA GLY A 278 -7.079 31.076 4.242 1.00 0.00 H \r\n< ATOM 4334 N PHE A 279 -6.826 28.651 3.659 1.00 0.00 N \r\n< ATOM 4335 CA PHE A 279 -6.678 27.214 3.405 1.00 0.00 C \r\n< ATOM 4336 C PHE A 279 -7.388 26.371 4.456 1.00 0.00 C \r\n< ATOM 4337 O PHE A 279 -7.644 25.181 4.257 1.00 0.00 O \r\n< ATOM 4338 CB PHE A 279 -5.198 26.830 3.365 1.00 0.00 C \r\n< ATOM 4339 CG PHE A 279 -4.418 27.535 2.293 1.00 0.00 C \r\n< ATOM 4340 CD1 PHE A 279 -3.405 28.424 2.622 1.00 0.00 C \r\n< ATOM 4341 CD2 PHE A 279 -4.695 27.312 0.953 1.00 0.00 C \r\n< ATOM 4342 CE1 PHE A 279 -2.687 29.074 1.636 1.00 0.00 C \r\n< ATOM 4343 CE2 PHE A 279 -3.978 27.959 -0.035 1.00 0.00 C \r\n< ATOM 4344 CZ PHE A 279 -2.973 28.841 0.308 1.00 0.00 C \r\n< ATOM 4345 H PHE A 279 -6.045 29.166 4.042 1.00 0.00 H \r\n< ATOM 4346 HA PHE A 279 -7.077 26.969 2.420 1.00 0.00 H \r\n< ATOM 4347 1HB PHE A 279 -4.737 27.058 4.326 1.00 0.00 H \r\n< ATOM 4348 2HB PHE A 279 -5.104 25.757 3.204 1.00 0.00 H \r\n< ATOM 4349 HD1 PHE A 279 -3.178 28.607 3.673 1.00 0.00 H \r\n< ATOM 4350 HD2 PHE A 279 -5.489 26.616 0.682 1.00 0.00 H \r\n< ATOM 4351 HE1 PHE A 279 -1.894 29.770 1.909 1.00 0.00 H \r\n< ATOM 4352 HE2 PHE A 279 -4.205 27.774 -1.085 1.00 0.00 H \r\n< ATOM 4353 HZ PHE A 279 -2.408 29.353 -0.470 1.00 0.00 H \r\n< ATOM 4354 N LEU A 280 -7.694 26.967 5.611 1.00 0.00 N \r\n< ATOM 4355 CA LEU A 280 -8.345 26.200 6.656 1.00 0.00 C \r\n< ATOM 4356 C LEU A 280 -9.847 26.422 6.667 1.00 0.00 C \r\n< ATOM 4357 O LEU A 280 -10.448 26.718 7.698 1.00 0.00 O \r\n< ATOM 4358 CB LEU A 280 -7.746 26.559 8.021 1.00 0.00 C \r\n< ATOM 4359 CG LEU A 280 -6.236 26.323 8.155 1.00 0.00 C \r\n< ATOM 4360 CD1 LEU A 280 -5.755 26.779 9.525 1.00 0.00 C \r\n< ATOM 4361 CD2 LEU A 280 -5.931 24.847 7.939 1.00 0.00 C \r\n< ATOM 4362 H LEU A 280 -7.483 27.941 5.775 1.00 0.00 H \r\n< ATOM 4363 HA LEU A 280 -8.188 25.136 6.480 1.00 0.00 H \r\n< ATOM 4364 1HB LEU A 280 -7.959 27.627 8.033 1.00 0.00 H \r\n< ATOM 4365 2HB LEU A 280 -8.281 26.074 8.837 1.00 0.00 H \r\n< ATOM 4366 HG LEU A 280 -5.749 26.883 7.356 1.00 0.00 H \r\n< ATOM 4367 1HD1 LEU A 280 -4.682 26.607 9.610 1.00 0.00 H \r\n< ATOM 4368 2HD1 LEU A 280 -5.961 27.842 9.648 1.00 0.00 H \r\n< ATOM 4369 3HD1 LEU A 280 -6.275 26.215 10.299 1.00 0.00 H \r\n< ATOM 4370 1HD2 LEU A 280 -4.858 24.681 8.033 1.00 0.00 H \r\n< ATOM 4371 2HD2 LEU A 280 -6.458 24.254 8.687 1.00 0.00 H \r\n< ATOM 4372 3HD2 LEU A 280 -6.259 24.549 6.943 1.00 0.00 H \r\n---\r\n> ATOM 4165 HA THR A 268 -8.584 26.450 -13.010 1.00 0.00 H \r\n> ATOM 4166 HB THR A 268 -6.374 27.202 -13.167 1.00 0.00 H \r\n> ATOM 4167 HG1 THR A 268 -6.950 28.853 -11.020 1.00 0.00 H \r\n> ATOM 4168 1HG2 THR A 268 -5.722 29.579 -13.017 1.00 0.00 H \r\n> ATOM 4169 2HG2 THR A 268 -6.815 29.301 -14.393 1.00 0.00 H \r\n> ATOM 4170 3HG2 THR A 268 -7.435 30.042 -12.899 1.00 0.00 H \r\n> ATOM 4171 N PHE A 269 -10.051 27.455 -11.297 1.00 0.00 N \r\n> ATOM 4172 CA PHE A 269 -10.943 28.030 -10.309 1.00 0.00 C \r\n> ATOM 4173 C PHE A 269 -10.180 28.167 -9.022 1.00 0.00 C \r\n> ATOM 4174 O PHE A 269 -9.442 27.268 -8.663 1.00 0.00 O \r\n> ATOM 4175 CB PHE A 269 -12.125 27.133 -9.981 1.00 0.00 C \r\n> ATOM 4176 CG PHE A 269 -13.171 26.924 -11.053 1.00 0.00 C \r\n> ATOM 4177 CD1 PHE A 269 -12.930 26.064 -12.110 1.00 0.00 C \r\n> ATOM 4178 CD2 PHE A 269 -14.364 27.642 -10.957 1.00 0.00 C \r\n> ATOM 4179 CE1 PHE A 269 -13.887 25.950 -13.093 1.00 0.00 C \r\n> ATOM 4180 CE2 PHE A 269 -15.309 27.541 -11.958 1.00 0.00 C \r\n> ATOM 4181 CZ PHE A 269 -15.059 26.694 -13.022 1.00 0.00 C \r\n> ATOM 4182 H PHE A 269 -9.856 26.464 -11.267 1.00 0.00 H \r\n> ATOM 4183 HA PHE A 269 -11.346 28.974 -10.678 1.00 0.00 H \r\n> ATOM 4184 1HB PHE A 269 -11.779 26.129 -9.739 1.00 0.00 H \r\n> ATOM 4185 2HB PHE A 269 -12.680 27.538 -9.137 1.00 0.00 H \r\n> ATOM 4186 HD1 PHE A 269 -11.996 25.503 -12.136 1.00 0.00 H \r\n> ATOM 4187 HD2 PHE A 269 -14.537 28.304 -10.108 1.00 0.00 H \r\n> ATOM 4188 HE1 PHE A 269 -13.726 25.274 -13.933 1.00 0.00 H \r\n> ATOM 4189 HE2 PHE A 269 -16.237 28.113 -11.923 1.00 0.00 H \r\n> ATOM 4190 HZ PHE A 269 -15.803 26.618 -13.814 1.00 0.00 H \r\n> ATOM 4191 N GLU A 270 -10.364 29.279 -8.320 1.00 0.00 N \r\n> ATOM 4192 CA GLU A 270 -9.829 29.502 -6.993 1.00 0.00 C \r\n> ATOM 4193 C GLU A 270 -11.055 29.465 -6.087 1.00 0.00 C \r\n> ATOM 4194 O GLU A 270 -11.892 30.366 -6.122 1.00 0.00 O \r\n> ATOM 4195 CB GLU A 270 -9.076 30.830 -6.885 1.00 0.00 C \r\n> ATOM 4196 CG GLU A 270 -7.649 30.787 -7.412 1.00 0.00 C \r\n> ATOM 4197 CD GLU A 270 -7.622 30.706 -8.912 1.00 0.00 C \r\n> ATOM 4198 OE1 GLU A 270 -8.297 31.485 -9.543 1.00 0.00 O \r\n> ATOM 4199 OE2 GLU A 270 -6.845 29.941 -9.434 1.00 0.00 O \r\n> ATOM 4200 H GLU A 270 -10.913 30.005 -8.757 1.00 0.00 H \r\n> ATOM 4201 HA GLU A 270 -9.069 28.753 -6.770 1.00 0.00 H \r\n> ATOM 4202 1HB GLU A 270 -9.648 31.567 -7.448 1.00 0.00 H \r\n> ATOM 4203 2HB GLU A 270 -9.065 31.105 -5.830 1.00 0.00 H \r\n> ATOM 4204 1HG GLU A 270 -7.040 31.630 -7.084 1.00 0.00 H \r\n> ATOM 4205 2HG GLU A 270 -7.247 29.866 -6.992 1.00 0.00 H \r\n> ATOM 4206 N LEU A 271 -11.247 28.445 -5.274 1.00 0.00 N \r\n> ATOM 4207 CA LEU A 271 -12.477 28.373 -4.500 1.00 0.00 C \r\n> ATOM 4208 C LEU A 271 -12.505 29.273 -3.267 1.00 0.00 C \r\n> ATOM 4209 O LEU A 271 -11.649 30.137 -3.076 1.00 0.00 O \r\n> ATOM 4210 CB LEU A 271 -12.723 26.919 -4.082 1.00 0.00 C \r\n> ATOM 4211 CG LEU A 271 -12.735 25.902 -5.231 1.00 0.00 C \r\n> ATOM 4212 CD1 LEU A 271 -12.965 24.500 -4.685 1.00 0.00 C \r\n> ATOM 4213 CD2 LEU A 271 -13.820 26.277 -6.230 1.00 0.00 C \r\n> ATOM 4214 H LEU A 271 -10.560 27.711 -5.175 1.00 0.00 H \r\n> ATOM 4215 HA LEU A 271 -13.310 28.724 -5.107 1.00 0.00 H \r\n> ATOM 4216 1HB LEU A 271 -11.846 26.764 -3.456 1.00 0.00 H \r\n> ATOM 4217 2HB LEU A 271 -13.623 26.820 -3.476 1.00 0.00 H \r\n> ATOM 4218 HG LEU A 271 -11.774 25.976 -5.739 1.00 0.00 H \r\n> ATOM 4219 1HD1 LEU A 271 -12.973 23.784 -5.507 1.00 0.00 H \r\n> ATOM 4220 2HD1 LEU A 271 -12.165 24.244 -3.991 1.00 0.00 H \r\n> ATOM 4221 3HD1 LEU A 271 -13.922 24.464 -4.165 1.00 0.00 H \r\n> ATOM 4222 1HD2 LEU A 271 -13.828 25.553 -7.045 1.00 0.00 H \r\n> ATOM 4223 2HD2 LEU A 271 -14.790 26.273 -5.732 1.00 0.00 H \r\n> ATOM 4224 3HD2 LEU A 271 -13.622 27.271 -6.628 1.00 0.00 H \r\n> ATOM 4225 N ARG A 272 -13.521 29.085 -2.417 1.00 0.00 N \r\n> ATOM 4226 CA ARG A 272 -13.671 29.919 -1.248 1.00 0.00 C \r\n> ATOM 4227 C ARG A 272 -12.468 29.793 -0.325 1.00 0.00 C \r\n> ATOM 4228 O ARG A 272 -11.807 28.761 -0.276 1.00 0.00 O \r\n> ATOM 4229 CB ARG A 272 -14.975 29.641 -0.515 1.00 0.00 C \r\n> ATOM 4230 CG ARG A 272 -16.229 30.096 -1.245 1.00 0.00 C \r\n> ATOM 4231 CD ARG A 272 -17.495 29.815 -0.522 1.00 0.00 C \r\n> ATOM 4232 NE ARG A 272 -17.616 30.483 0.764 1.00 0.00 N \r\n> ATOM 4233 CZ ARG A 272 -18.267 29.980 1.830 1.00 0.00 C \r\n> ATOM 4234 NH1 ARG A 272 -18.889 28.824 1.760 1.00 0.00 N \r\n> ATOM 4235 NH2 ARG A 272 -18.286 30.691 2.944 1.00 0.00 N \r\n> ATOM 4236 H ARG A 272 -14.194 28.353 -2.588 1.00 0.00 H \r\n> ATOM 4237 HA ARG A 272 -13.821 30.956 -1.552 1.00 0.00 H \r\n> ATOM 4238 1HB ARG A 272 -15.024 28.565 -0.351 1.00 0.00 H \r\n> ATOM 4239 2HB ARG A 272 -14.915 30.153 0.445 1.00 0.00 H \r\n> ATOM 4240 1HG ARG A 272 -16.166 31.172 -1.406 1.00 0.00 H \r\n> ATOM 4241 2HG ARG A 272 -16.272 29.586 -2.210 1.00 0.00 H \r\n> ATOM 4242 1HD ARG A 272 -18.334 30.137 -1.137 1.00 0.00 H \r\n> ATOM 4243 2HD ARG A 272 -17.569 28.743 -0.340 1.00 0.00 H \r\n> ATOM 4244 HE ARG A 272 -17.256 31.380 1.059 1.00 0.00 H \r\n> ATOM 4245 1HH1 ARG A 272 -18.881 28.301 0.896 1.00 0.00 H \r\n> ATOM 4246 2HH1 ARG A 272 -19.372 28.464 2.570 1.00 0.00 H \r\n> ATOM 4247 1HH2 ARG A 272 -17.817 31.586 2.975 1.00 0.00 H \r\n> ATOM 4248 2HH2 ARG A 272 -18.767 30.338 3.758 1.00 0.00 H \r\n> ATOM 4249 N ASP A 273 -12.166 30.755 0.536 1.00 0.00 N \r\n> ATOM 4250 CA ASP A 273 -12.962 31.951 0.646 1.00 0.00 C \r\n> ATOM 4251 C ASP A 273 -12.094 33.109 0.179 1.00 0.00 C \r\n> ATOM 4252 O ASP A 273 -11.358 32.980 -0.800 1.00 0.00 O \r\n> ATOM 4253 CB ASP A 273 -13.425 32.105 2.129 1.00 0.00 C \r\n> ATOM 4254 CG ASP A 273 -12.357 32.235 3.202 1.00 0.00 C \r\n> ATOM 4255 OD1 ASP A 273 -11.160 32.202 2.900 1.00 0.00 O \r\n> ATOM 4256 OD2 ASP A 273 -12.724 32.351 4.365 1.00 0.00 O \r\n> ATOM 4257 H ASP A 273 -11.357 30.647 1.130 1.00 0.00 H \r\n> ATOM 4258 HA ASP A 273 -13.835 31.875 -0.004 1.00 0.00 H \r\n> ATOM 4259 1HB ASP A 273 -14.134 32.920 2.281 1.00 0.00 H \r\n> ATOM 4260 2HB ASP A 273 -13.933 31.150 2.271 1.00 0.00 H \r\n> ATOM 4261 N THR A 274 -12.175 34.290 0.794 1.00 0.00 N \r\n> ATOM 4262 CA THR A 274 -11.288 35.378 0.388 1.00 0.00 C \r\n> ATOM 4263 C THR A 274 -10.298 35.695 1.491 1.00 0.00 C \r\n> ATOM 4264 O THR A 274 -9.865 36.820 1.693 1.00 0.00 O \r\n> ATOM 4265 CB THR A 274 -12.072 36.656 0.033 1.00 0.00 C \r\n> ATOM 4266 OG1 THR A 274 -12.881 37.050 1.149 1.00 0.00 O \r\n> ATOM 4267 CG2 THR A 274 -12.965 36.415 -1.175 1.00 0.00 C \r\n> ATOM 4268 H THR A 274 -12.840 34.449 1.537 1.00 0.00 H \r\n> ATOM 4269 HA THR A 274 -10.713 35.078 -0.489 1.00 0.00 H \r\n> ATOM 4270 HB THR A 274 -11.365 37.454 -0.193 1.00 0.00 H \r\n> ATOM 4271 HG1 THR A 274 -13.359 37.853 0.930 1.00 0.00 H \r\n> ATOM 4272 1HG2 THR A 274 -13.510 37.328 -1.411 1.00 0.00 H \r\n> ATOM 4273 2HG2 THR A 274 -12.352 36.127 -2.029 1.00 0.00 H \r\n> ATOM 4274 3HG2 THR A 274 -13.672 35.617 -0.951 1.00 0.00 H \r\n> ATOM 4275 N GLY A 275 -9.915 34.702 2.285 1.00 0.00 N \r\n> ATOM 4276 CA GLY A 275 -8.894 34.987 3.254 1.00 0.00 C \r\n> ATOM 4277 C GLY A 275 -9.345 34.972 4.706 1.00 0.00 C \r\n> ATOM 4278 O GLY A 275 -8.442 35.019 5.560 1.00 0.00 O \r\n> ATOM 4279 H GLY A 275 -10.302 33.770 2.238 1.00 0.00 H \r\n> ATOM 4280 1HA GLY A 275 -8.101 34.245 3.164 1.00 0.00 H \r\n> ATOM 4281 2HA GLY A 275 -8.486 35.978 3.062 1.00 0.00 H \r\n> ATOM 4282 N ARG A 276 -10.650 34.921 5.024 1.00 0.00 N \r\n> ATOM 4283 CA ARG A 276 -11.052 34.851 6.425 1.00 0.00 C \r\n> ATOM 4284 C ARG A 276 -10.610 33.548 7.029 1.00 0.00 C \r\n> ATOM 4285 O ARG A 276 -10.117 33.576 8.153 1.00 0.00 O \r\n> ATOM 4286 CB ARG A 276 -12.570 34.957 6.631 1.00 0.00 C \r\n> ATOM 4287 CG ARG A 276 -12.963 34.871 8.121 1.00 0.00 C \r\n> ATOM 4288 CD ARG A 276 -14.452 35.213 8.356 1.00 0.00 C \r\n> ATOM 4289 NE ARG A 276 -15.407 34.364 7.633 1.00 0.00 N \r\n> ATOM 4290 CZ ARG A 276 -16.725 34.658 7.523 1.00 0.00 C \r\n> ATOM 4291 NH1 ARG A 276 -17.194 35.789 8.070 1.00 0.00 N \r\n> ATOM 4292 NH2 ARG A 276 -17.580 33.835 6.865 1.00 0.00 N \r\n> ATOM 4293 H ARG A 276 -11.362 34.931 4.308 1.00 0.00 H \r\n> ATOM 4294 HA ARG A 276 -10.639 35.700 6.971 1.00 0.00 H \r\n> ATOM 4295 1HB ARG A 276 -12.883 35.911 6.207 1.00 0.00 H \r\n> ATOM 4296 2HB ARG A 276 -13.025 34.143 6.068 1.00 0.00 H \r\n> ATOM 4297 1HG ARG A 276 -12.773 33.856 8.472 1.00 0.00 H \r\n> ATOM 4298 2HG ARG A 276 -12.345 35.571 8.684 1.00 0.00 H \r\n> ATOM 4299 1HD ARG A 276 -14.675 35.115 9.419 1.00 0.00 H \r\n> ATOM 4300 2HD ARG A 276 -14.632 36.241 8.041 1.00 0.00 H \r\n> ATOM 4301 HE ARG A 276 -15.252 33.495 7.140 1.00 0.00 H \r\n> ATOM 4302 1HH1 ARG A 276 -16.564 36.410 8.558 1.00 0.00 H \r\n> ATOM 4303 2HH1 ARG A 276 -18.175 36.015 7.992 1.00 0.00 H \r\n> ATOM 4304 1HH2 ARG A 276 -17.233 32.982 6.445 1.00 0.00 H \r\n> ATOM 4305 2HH2 ARG A 276 -18.558 34.076 6.797 1.00 0.00 H \r\n> ATOM 4306 N TYR A 277 -10.732 32.393 6.357 1.00 0.00 N \r\n> ATOM 4307 CA TYR A 277 -10.229 31.141 6.875 1.00 0.00 C \r\n> ATOM 4308 C TYR A 277 -9.120 30.631 5.970 1.00 0.00 C \r\n> ATOM 4309 O TYR A 277 -8.252 29.880 6.416 1.00 0.00 O \r\n> ATOM 4310 CB TYR A 277 -11.351 30.107 6.988 1.00 0.00 C \r\n> ATOM 4311 CG TYR A 277 -12.444 30.493 7.962 1.00 0.00 C \r\n> ATOM 4312 CD1 TYR A 277 -13.687 30.911 7.508 1.00 0.00 C \r\n> ATOM 4313 CD2 TYR A 277 -12.230 30.436 9.331 1.00 0.00 C \r\n> ATOM 4314 CE1 TYR A 277 -14.688 31.265 8.391 1.00 0.00 C \r\n> ATOM 4315 CE2 TYR A 277 -13.224 30.786 10.223 1.00 0.00 C \r\n> ATOM 4316 CZ TYR A 277 -14.452 31.200 9.750 1.00 0.00 C \r\n> ATOM 4317 OH TYR A 277 -15.446 31.550 10.635 1.00 0.00 O \r\n> ATOM 4318 H TYR A 277 -11.192 32.404 5.458 1.00 0.00 H \r\n> ATOM 4319 HA TYR A 277 -9.849 31.285 7.887 1.00 0.00 H \r\n> ATOM 4320 1HB TYR A 277 -11.779 29.983 5.992 1.00 0.00 H \r\n> ATOM 4321 2HB TYR A 277 -10.896 29.170 7.307 1.00 0.00 H \r\n> ATOM 4322 HD1 TYR A 277 -13.866 30.959 6.433 1.00 0.00 H \r\n> ATOM 4323 HD2 TYR A 277 -11.258 30.108 9.698 1.00 0.00 H \r\n> ATOM 4324 HE1 TYR A 277 -15.659 31.592 8.021 1.00 0.00 H \r\n> ATOM 4325 HE2 TYR A 277 -13.035 30.736 11.295 1.00 0.00 H \r\n> ATOM 4326 HH TYR A 277 -15.310 31.189 11.513 1.00 0.00 H \r\n> ATOM 4327 N GLY A 278 -9.187 31.163 4.612 1.00 0.00 N \r\n> ATOM 4328 CA GLY A 278 -8.043 30.830 3.760 1.00 0.00 C \r\n> ATOM 4329 C GLY A 278 -8.008 29.351 3.389 1.00 0.00 C \r\n> ATOM 4330 O GLY A 278 -9.003 28.810 2.916 1.00 0.00 O \r\n> ATOM 4331 H GLY A 278 -9.947 31.704 4.225 1.00 0.00 H \r\n> ATOM 4332 1HA GLY A 278 -8.100 31.416 2.842 1.00 0.00 H \r\n> ATOM 4333 2HA GLY A 278 -7.123 31.076 4.289 1.00 0.00 H \r\n> ATOM 4334 N PHE A 279 -6.864 28.669 3.625 1.00 0.00 N \r\n> ATOM 4335 CA PHE A 279 -6.729 27.232 3.363 1.00 0.00 C \r\n> ATOM 4336 C PHE A 279 -7.428 26.389 4.420 1.00 0.00 C \r\n> ATOM 4337 O PHE A 279 -7.697 25.202 4.219 1.00 0.00 O \r\n> ATOM 4338 CB PHE A 279 -5.289 26.785 3.372 1.00 0.00 C \r\n> ATOM 4339 CG PHE A 279 -4.458 27.517 2.358 1.00 0.00 C \r\n> ATOM 4340 CD1 PHE A 279 -4.726 27.361 1.014 1.00 0.00 C \r\n> ATOM 4341 CD2 PHE A 279 -3.457 28.358 2.795 1.00 0.00 C \r\n> ATOM 4342 CE1 PHE A 279 -3.985 28.070 0.094 1.00 0.00 C \r\n> ATOM 4343 CE2 PHE A 279 -2.737 29.073 1.869 1.00 0.00 C \r\n> ATOM 4344 CZ PHE A 279 -2.997 28.920 0.521 1.00 0.00 C \r\n> ATOM 4345 H PHE A 279 -6.074 29.178 3.997 1.00 0.00 H \r\n> ATOM 4346 HA PHE A 279 -7.144 26.994 2.382 1.00 0.00 H \r\n> ATOM 4347 1HB PHE A 279 -4.846 26.969 4.350 1.00 0.00 H \r\n> ATOM 4348 2HB PHE A 279 -5.226 25.722 3.140 1.00 0.00 H \r\n> ATOM 4349 HD1 PHE A 279 -5.520 26.681 0.704 1.00 0.00 H \r\n> ATOM 4350 HD2 PHE A 279 -3.248 28.480 3.859 1.00 0.00 H \r\n> ATOM 4351 HE1 PHE A 279 -4.185 27.954 -0.972 1.00 0.00 H \r\n> ATOM 4352 HE2 PHE A 279 -1.958 29.760 2.198 1.00 0.00 H \r\n> ATOM 4353 HZ PHE A 279 -2.408 29.481 -0.202 1.00 0.00 H \r\n> ATOM 4354 N LEU A 280 -7.710 26.981 5.584 1.00 0.00 N \r\n> ATOM 4355 CA LEU A 280 -8.348 26.213 6.636 1.00 0.00 C \r\n> ATOM 4356 C LEU A 280 -9.848 26.445 6.674 1.00 0.00 C \r\n> ATOM 4357 O LEU A 280 -10.429 26.740 7.717 1.00 0.00 O \r\n> ATOM 4358 CB LEU A 280 -7.722 26.561 7.992 1.00 0.00 C \r\n> ATOM 4359 CG LEU A 280 -6.212 26.314 8.098 1.00 0.00 C \r\n> ATOM 4360 CD1 LEU A 280 -5.704 26.760 9.462 1.00 0.00 C \r\n> ATOM 4361 CD2 LEU A 280 -5.921 24.838 7.870 1.00 0.00 C \r\n> ATOM 4362 H LEU A 280 -7.489 27.953 5.749 1.00 0.00 H \r\n> ATOM 4363 HA LEU A 280 -8.201 25.149 6.452 1.00 0.00 H \r\n> ATOM 4364 1HB LEU A 280 -7.928 27.630 8.013 1.00 0.00 H \r\n> ATOM 4365 2HB LEU A 280 -8.246 26.075 8.815 1.00 0.00 H \r\n> ATOM 4366 HG LEU A 280 -5.735 26.875 7.294 1.00 0.00 H \r\n> ATOM 4367 1HD1 LEU A 280 -4.631 26.581 9.527 1.00 0.00 H \r\n> ATOM 4368 2HD1 LEU A 280 -5.901 27.824 9.594 1.00 0.00 H \r\n> ATOM 4369 3HD1 LEU A 280 -6.214 26.196 10.242 1.00 0.00 H \r\n> ATOM 4370 1HD2 LEU A 280 -4.847 24.664 7.944 1.00 0.00 H \r\n> ATOM 4371 2HD2 LEU A 280 -6.439 24.244 8.624 1.00 0.00 H \r\n> ATOM 4372 3HD2 LEU A 280 -6.268 24.547 6.878 1.00 0.00 H \r\n4808,4882c4808,4882\r\n< HETATM 4793 C21 CP1 X 1 -2.343 33.214 -4.125 1.00 0.00 C \r\n< HETATM 4794 O5 CP1 X 1 -1.212 33.631 -3.895 1.00 0.00 O \r\n< HETATM 4795 O7 CP1 X 1 -2.656 32.328 -5.117 1.00 0.00 O \r\n< HETATM 4796 C26 CP1 X 1 -1.559 31.873 -5.917 1.00 0.00 C \r\n< HETATM 4797 C18 CP1 X 1 -2.078 30.948 -6.979 1.00 0.00 C \r\n< HETATM 4798 C14 CP1 X 1 -2.181 29.581 -6.723 1.00 0.00 C \r\n< HETATM 4799 C15 CP1 X 1 -2.456 31.456 -8.222 1.00 0.00 C \r\n< HETATM 4800 C8 CP1 X 1 -2.664 28.721 -7.711 1.00 0.00 C \r\n< HETATM 4801 C9 CP1 X 1 -2.938 30.597 -9.209 1.00 0.00 C \r\n< HETATM 4802 C3 CP1 X 1 -3.042 29.230 -8.953 1.00 0.00 C \r\n< HETATM 4803 N2 CP1 X 1 -3.484 33.560 -3.432 1.00 0.00 N \r\n< HETATM 4804 C19 CP1 X 1 -3.170 33.738 -1.082 1.00 0.00 C \r\n< HETATM 4805 O3 CP1 X 1 -3.533 32.577 -0.898 1.00 0.00 O \r\n< HETATM 4806 C27 CP1 X 1 -3.508 34.515 -2.350 1.00 0.00 C \r\n< HETATM 4807 C24 CP1 X 1 -4.880 35.192 -2.264 1.00 0.00 C \r\n< HETATM 4808 C16 CP1 X 1 -5.083 36.306 -3.261 1.00 0.00 C \r\n< HETATM 4809 C10 CP1 X 1 -4.741 37.616 -2.923 1.00 0.00 C \r\n< HETATM 4810 C11 CP1 X 1 -5.613 36.027 -4.521 1.00 0.00 C \r\n< HETATM 4811 C4 CP1 X 1 -4.929 38.645 -3.845 1.00 0.00 C \r\n< HETATM 4812 C5 CP1 X 1 -5.800 37.057 -5.443 1.00 0.00 C \r\n< HETATM 4813 C1 CP1 X 1 -5.458 38.366 -5.105 1.00 0.00 C \r\n< HETATM 4814 N1 CP1 X 1 -2.397 34.477 -0.199 1.00 0.00 N \r\n< HETATM 4815 C30 CP1 X 1 -1.891 33.949 1.059 1.00 0.00 C \r\n< HETATM 4816 C29 CP1 X 1 -0.500 33.296 0.917 1.00 0.00 C \r\n< HETATM 4817 C22 CP1 X 1 -0.479 32.112 -0.052 1.00 0.00 C \r\n< HETATM 4818 C23 CP1 X 1 0.560 34.324 0.508 1.00 0.00 C \r\n< HETATM 4819 P1 CP1 X 1 -1.965 35.349 2.243 1.00 0.00 P \r\n< HETATM 4820 O2 CP1 X 1 -1.095 34.982 3.426 1.00 0.00 O \r\n< HETATM 4821 O6 CP1 X 1 -1.786 36.646 1.486 1.00 0.00 O \r\n< HETATM 4822 O8 CP1 X 1 -3.544 35.261 2.655 1.00 0.00 O \r\n< HETATM 4823 C28 CP1 X 1 -3.952 35.882 3.863 1.00 0.00 C \r\n< HETATM 4824 C20 CP1 X 1 -3.565 34.923 4.998 1.00 0.00 C \r\n< HETATM 4825 O1 CP1 X 1 -4.164 33.808 4.964 1.00 0.00 O \r\n< HETATM 4826 O4 CP1 X 1 -2.706 35.341 5.822 1.00 0.00 O \r\n< HETATM 4827 C25 CP1 X 1 -5.449 36.185 3.777 1.00 0.00 C \r\n< HETATM 4828 C17 CP1 X 1 -5.735 37.413 2.946 1.00 0.00 C \r\n< HETATM 4829 C12 CP1 X 1 -5.781 38.670 3.551 1.00 0.00 C \r\n< HETATM 4830 C13 CP1 X 1 -5.955 37.292 1.574 1.00 0.00 C \r\n< HETATM 4831 C6 CP1 X 1 -6.045 39.804 2.784 1.00 0.00 C \r\n< HETATM 4832 C7 CP1 X 1 -6.220 38.427 0.806 1.00 0.00 C \r\n< HETATM 4833 C2 CP1 X 1 -6.265 39.683 1.411 1.00 0.00 C \r\n< HETATM 4834 H26 CP1 X 1 -0.835 31.363 -5.273 1.00 0.00 H \r\n< HETATM 4835 H27 CP1 X 1 -1.059 32.738 -6.367 1.00 0.00 H \r\n< HETATM 4836 H14 CP1 X 1 -1.890 29.176 -5.757 1.00 0.00 H \r\n< HETATM 4837 H15 CP1 X 1 -2.379 32.520 -8.430 1.00 0.00 H \r\n< HETATM 4838 H8 CP1 X 1 -2.745 27.657 -7.511 1.00 0.00 H \r\n< HETATM 4839 H9 CP1 X 1 -3.234 30.991 -10.176 1.00 0.00 H \r\n< HETATM 4840 H3 CP1 X 1 -3.419 28.560 -9.722 1.00 0.00 H \r\n< HETATM 4841 H33 CP1 X 1 -4.358 33.116 -3.698 1.00 0.00 H \r\n< HETATM 4842 H28 CP1 X 1 -2.711 35.236 -2.566 1.00 0.00 H \r\n< HETATM 4843 H22 CP1 X 1 -5.671 34.438 -2.380 1.00 0.00 H \r\n< HETATM 4844 H23 CP1 X 1 -5.025 35.615 -1.261 1.00 0.00 H \r\n< HETATM 4845 H10 CP1 X 1 -4.327 37.843 -1.945 1.00 0.00 H \r\n< HETATM 4846 H11 CP1 X 1 -5.882 35.009 -4.793 1.00 0.00 H \r\n< HETATM 4847 H4 CP1 X 1 -4.662 39.665 -3.582 1.00 0.00 H \r\n< HETATM 4848 H5 CP1 X 1 -6.211 36.839 -6.424 1.00 0.00 H \r\n< HETATM 4849 H1 CP1 X 1 -5.603 39.167 -5.822 1.00 0.00 H \r\n< HETATM 4850 H32 CP1 X 1 -2.173 35.437 -0.444 1.00 0.00 H \r\n< HETATM 4851 H31 CP1 X 1 -2.588 33.190 1.435 1.00 0.00 H \r\n< HETATM 4852 H30 CP1 X 1 -0.215 32.911 1.904 1.00 0.00 H \r\n< HETATM 4853 H17 CP1 X 1 -1.164 31.324 0.271 1.00 0.00 H \r\n< HETATM 4854 H16 CP1 X 1 -0.753 32.412 -1.069 1.00 0.00 H \r\n< HETATM 4855 H18 CP1 X 1 0.523 31.671 -0.097 1.00 0.00 H \r\n< HETATM 4856 H20 CP1 X 1 0.593 35.150 1.226 1.00 0.00 H \r\n< HETATM 4857 H19 CP1 X 1 0.331 34.749 -0.476 1.00 0.00 H \r\n< HETATM 4858 H21 CP1 X 1 1.559 33.880 0.465 1.00 0.00 H \r\n< HETATM 4859 H99 CP1 X 1 -1.824 37.391 2.107 1.00 0.00 H \r\n< HETATM 4860 H29 CP1 X 1 -3.378 36.809 3.979 1.00 0.00 H \r\n< HETATM 4861 H24 CP1 X 1 -5.868 36.330 4.781 1.00 0.00 H \r\n< HETATM 4862 H25 CP1 X 1 -5.990 35.337 3.339 1.00 0.00 H \r\n< HETATM 4863 H12 CP1 X 1 -5.610 38.774 4.619 1.00 0.00 H \r\n< HETATM 4864 H13 CP1 X 1 -5.921 36.318 1.094 1.00 0.00 H \r\n< HETATM 4865 H6 CP1 X 1 -6.081 40.782 3.255 1.00 0.00 H \r\n< HETATM 4866 H7 CP1 X 1 -6.389 38.332 -0.262 1.00 0.00 H \r\n< HETATM 4867 H2 CP1 X 1 -6.471 40.566 0.814 1.00 0.00 H \r\n---\r\n> HETATM 4793 C21 CP1 X 1 -2.054 33.799 -4.258 1.00 0.00 C \r\n> HETATM 4794 O5 CP1 X 1 -0.943 34.287 -4.077 1.00 0.00 O \r\n> HETATM 4795 O7 CP1 X 1 -2.337 32.837 -5.185 1.00 0.00 O \r\n> HETATM 4796 C26 CP1 X 1 -1.225 32.362 -5.953 1.00 0.00 C \r\n> HETATM 4797 C18 CP1 X 1 -1.709 31.338 -6.935 1.00 0.00 C \r\n> HETATM 4798 C14 CP1 X 1 -1.769 29.993 -6.570 1.00 0.00 C \r\n> HETATM 4799 C15 CP1 X 1 -2.099 31.730 -8.216 1.00 0.00 C \r\n> HETATM 4800 C8 CP1 X 1 -2.220 29.041 -7.484 1.00 0.00 C \r\n> HETATM 4801 C9 CP1 X 1 -2.549 30.778 -9.131 1.00 0.00 C \r\n> HETATM 4802 C3 CP1 X 1 -2.610 29.434 -8.764 1.00 0.00 C \r\n> HETATM 4803 N2 CP1 X 1 -3.200 34.131 -3.567 1.00 0.00 N \r\n> HETATM 4804 C19 CP1 X 1 -2.800 34.441 -1.244 1.00 0.00 C \r\n> HETATM 4805 O3 CP1 X 1 -2.976 33.241 -1.038 1.00 0.00 O \r\n> HETATM 4806 C27 CP1 X 1 -3.249 35.132 -2.527 1.00 0.00 C \r\n> HETATM 4807 C24 CP1 X 1 -4.664 35.710 -2.407 1.00 0.00 C \r\n> HETATM 4808 C16 CP1 X 1 -4.975 36.795 -3.408 1.00 0.00 C \r\n> HETATM 4809 C10 CP1 X 1 -4.712 38.129 -3.094 1.00 0.00 C \r\n> HETATM 4810 C11 CP1 X 1 -5.525 36.465 -4.647 1.00 0.00 C \r\n> HETATM 4811 C4 CP1 X 1 -5.000 39.132 -4.020 1.00 0.00 C \r\n> HETATM 4812 C5 CP1 X 1 -5.811 37.469 -5.572 1.00 0.00 C \r\n> HETATM 4813 C1 CP1 X 1 -5.549 38.802 -5.259 1.00 0.00 C \r\n> HETATM 4814 N1 CP1 X 1 -2.160 35.310 -0.373 1.00 0.00 N \r\n> HETATM 4815 C30 CP1 X 1 -1.557 34.887 0.883 1.00 0.00 C \r\n> HETATM 4816 C29 CP1 X 1 -0.060 34.541 0.741 1.00 0.00 C \r\n> HETATM 4817 C22 CP1 X 1 0.210 33.392 -0.233 1.00 0.00 C \r\n> HETATM 4818 C23 CP1 X 1 0.761 35.770 0.337 1.00 0.00 C \r\n> HETATM 4819 P1 CP1 X 1 -1.925 36.229 2.080 1.00 0.00 P \r\n> HETATM 4820 O2 CP1 X 1 -0.982 36.055 3.250 1.00 0.00 O \r\n> HETATM 4821 O6 CP1 X 1 -2.046 37.538 1.332 1.00 0.00 O \r\n> HETATM 4822 O8 CP1 X 1 -3.441 35.791 2.507 1.00 0.00 O \r\n> HETATM 4823 C28 CP1 X 1 -3.967 36.309 3.717 1.00 0.00 C \r\n> HETATM 4824 C20 CP1 X 1 -3.342 35.485 4.852 1.00 0.00 C \r\n> HETATM 4825 O1 CP1 X 1 -3.654 34.258 4.836 1.00 0.00 O \r\n> HETATM 4826 O4 CP1 X 1 -2.598 36.107 5.658 1.00 0.00 O \r\n> HETATM 4827 C25 CP1 X 1 -5.494 36.243 3.656 1.00 0.00 C \r\n> HETATM 4828 C17 CP1 X 1 -6.080 37.350 2.813 1.00 0.00 C \r\n> HETATM 4829 C12 CP1 X 1 -6.413 38.572 3.398 1.00 0.00 C \r\n> HETATM 4830 C13 CP1 X 1 -6.289 37.152 1.448 1.00 0.00 C \r\n> HETATM 4831 C6 CP1 X 1 -6.954 39.595 2.620 1.00 0.00 C \r\n> HETATM 4832 C7 CP1 X 1 -6.831 38.175 0.669 1.00 0.00 C \r\n> HETATM 4833 C2 CP1 X 1 -7.163 39.396 1.254 1.00 0.00 C \r\n> HETATM 4834 H26 CP1 X 1 -0.480 31.933 -5.273 1.00 0.00 H \r\n> HETATM 4835 H27 CP1 X 1 -0.759 33.208 -6.471 1.00 0.00 H \r\n> HETATM 4836 H14 CP1 X 1 -1.468 29.678 -5.574 1.00 0.00 H \r\n> HETATM 4837 H15 CP1 X 1 -2.056 32.776 -8.510 1.00 0.00 H \r\n> HETATM 4838 H8 CP1 X 1 -2.267 27.994 -7.198 1.00 0.00 H \r\n> HETATM 4839 H9 CP1 X 1 -2.854 31.083 -10.127 1.00 0.00 H \r\n> HETATM 4840 H3 CP1 X 1 -2.962 28.692 -9.476 1.00 0.00 H \r\n> HETATM 4841 H33 CP1 X 1 -4.060 33.643 -3.801 1.00 0.00 H \r\n> HETATM 4842 H28 CP1 X 1 -2.519 35.898 -2.811 1.00 0.00 H \r\n> HETATM 4843 H22 CP1 X 1 -5.402 34.900 -2.493 1.00 0.00 H \r\n> HETATM 4844 H23 CP1 X 1 -4.811 36.132 -1.404 1.00 0.00 H \r\n> HETATM 4845 H10 CP1 X 1 -4.284 38.395 -2.132 1.00 0.00 H \r\n> HETATM 4846 H11 CP1 X 1 -5.732 35.429 -4.900 1.00 0.00 H \r\n> HETATM 4847 H4 CP1 X 1 -4.795 40.171 -3.776 1.00 0.00 H \r\n> HETATM 4848 H5 CP1 X 1 -6.239 37.211 -6.537 1.00 0.00 H \r\n> HETATM 4849 H1 CP1 X 1 -5.773 39.583 -5.978 1.00 0.00 H \r\n> HETATM 4850 H32 CP1 X 1 -2.109 36.293 -0.624 1.00 0.00 H \r\n> HETATM 4851 H31 CP1 X 1 -2.081 33.996 1.249 1.00 0.00 H \r\n> HETATM 4852 H30 CP1 X 1 0.298 34.220 1.727 1.00 0.00 H \r\n> HETATM 4853 H17 CP1 X 1 -0.296 32.476 0.086 1.00 0.00 H \r\n> HETATM 4854 H16 CP1 X 1 -0.121 33.632 -1.249 1.00 0.00 H \r\n> HETATM 4855 H18 CP1 X 1 1.282 33.171 -0.277 1.00 0.00 H \r\n> HETATM 4856 H20 CP1 X 1 0.620 36.581 1.059 1.00 0.00 H \r\n> HETATM 4857 H19 CP1 X 1 0.449 36.142 -0.644 1.00 0.00 H \r\n> HETATM 4858 H21 CP1 X 1 1.831 35.545 0.295 1.00 0.00 H \r\n> HETATM 4859 H99 CP1 X 1 -1.903 37.384 0.385 1.00 0.00 H \r\n> HETATM 4860 H29 CP1 X 1 -3.631 37.349 3.816 1.00 0.00 H \r\n> HETATM 4861 H24 CP1 X 1 -5.919 36.303 4.666 1.00 0.00 H \r\n> HETATM 4862 H25 CP1 X 1 -5.822 35.282 3.241 1.00 0.00 H \r\n> HETATM 4863 H12 CP1 X 1 -6.253 38.736 4.461 1.00 0.00 H \r\n> HETATM 4864 H13 CP1 X 1 -6.033 36.204 0.983 1.00 0.00 H \r\n> HETATM 4865 H6 CP1 X 1 -7.213 40.546 3.076 1.00 0.00 H \r\n> HETATM 4866 H7 CP1 X 1 -6.992 38.020 -0.394 1.00 0.00 H \r\n> HETATM 4867 H2 CP1 X 1 -7.584 40.192 0.648 1.00 0.00 H \r\n4884,4898c4884,4898\r\n< HETATM 4869 O WAT W 311 -1.663 26.770 -1.930 1.00 5.95 O \r\n< HETATM 4870 H1 WAT W 311 -2.094 25.969 -2.228 1.00 0.00 H \r\n< HETATM 4871 H2 WAT W 311 -1.289 27.152 -2.724 1.00 0.00 H \r\n< HETATM 4872 O WAT W 340 6.783 38.354 -6.505 1.00 11.72 O \r\n< HETATM 4873 H1 WAT W 340 6.789 37.452 -6.183 1.00 0.00 H \r\n< HETATM 4874 H2 WAT W 340 7.658 38.483 -6.872 1.00 0.00 H \r\n< HETATM 4875 O WAT W 441 2.387 32.402 4.089 1.00 32.86 O \r\n< HETATM 4876 H1 WAT W 441 2.170 31.495 4.306 1.00 0.00 H \r\n< HETATM 4877 H2 WAT W 441 3.332 32.462 4.227 1.00 0.00 H \r\n< HETATM 4878 O WAT W 516 1.663 30.046 5.087 1.00 45.28 O \r\n< HETATM 4879 H1 WAT W 516 1.781 29.144 4.790 1.00 0.00 H \r\n< HETATM 4880 H2 WAT W 516 0.944 29.998 5.718 1.00 0.00 H \r\n< HETATM 4881 O WAT W 343 -2.529 26.692 -14.081 1.00 15.55 O \r\n< HETATM 4882 H1 WAT W 343 -2.495 25.915 -13.524 1.00 0.00 H \r\n< HETATM 4883 H2 WAT W 343 -1.768 27.209 -13.819 1.00 0.00 H \r\n---\r\n> HETATM 4869 O WAT W 311 -1.615 27.709 -2.057 1.00 5.95 O \r\n> HETATM 4870 H1 WAT W 311 -2.261 27.010 -1.964 1.00 0.00 H \r\n> HETATM 4871 H2 WAT W 311 -1.600 27.899 -2.996 1.00 0.00 H \r\n> HETATM 4872 O WAT W 340 6.264 38.803 -3.758 1.00 11.72 O \r\n> HETATM 4873 H1 WAT W 340 6.256 37.907 -3.419 1.00 0.00 H \r\n> HETATM 4874 H2 WAT W 340 7.129 38.901 -4.156 1.00 0.00 H \r\n> HETATM 4875 O WAT W 441 2.191 33.459 3.932 1.00 32.86 O \r\n> HETATM 4876 H1 WAT W 441 1.896 32.635 4.320 1.00 0.00 H \r\n> HETATM 4877 H2 WAT W 441 3.146 33.417 3.977 1.00 0.00 H \r\n> HETATM 4878 O WAT W 516 1.311 31.208 5.103 1.00 45.28 O \r\n> HETATM 4879 H1 WAT W 516 1.423 30.310 4.790 1.00 0.00 H \r\n> HETATM 4880 H2 WAT W 516 0.596 31.153 5.737 1.00 0.00 H \r\n> HETATM 4881 O WAT W 343 -2.536 26.749 -14.123 1.00 15.55 O \r\n> HETATM 4882 H1 WAT W 343 -2.480 26.021 -13.504 1.00 0.00 H \r\n> HETATM 4883 H2 WAT W 343 -1.761 27.280 -13.940 1.00 0.00 H \r\n4978c4978\r\n< coordinate_constraint 3.26287\r\n---\r\n> coordinate_constraint 2.28464\r\n4984,4994c4984,4994\r\n< fa_atr -1294.66\r\n< fa_dun 252.971\r\n< fa_elec -64.9887\r\n< fa_intra_rep 3.1163\r\n< fa_pair -43.5\r\n< fa_rep 141.385\r\n< fa_sol 578.844\r\n< hbond_bb_sc -34.896\r\n< hbond_lr_bb -76.9337\r\n< hbond_sc -40.9119\r\n< hbond_sr_bb -134.943\r\n---\r\n> fa_atr -1293.94\r\n> fa_dun 258.183\r\n> fa_elec -65.3136\r\n> fa_intra_rep 3.13741\r\n> fa_pair -44.7669\r\n> fa_rep 136.479\r\n> fa_sol 577.44\r\n> hbond_bb_sc -36.9312\r\n> hbond_lr_bb -77.0689\r\n> hbond_sc -41.8527\r\n> hbond_sr_bb -135.002\r\n5004c5004\r\n< if_X_fa_atr -18.1385\r\n---\r\n> if_X_fa_atr -15.3183\r\n5006c5006\r\n< if_X_fa_elec -0.450486\r\n---\r\n> if_X_fa_elec -0.257082\r\n5009,5011c5009,5011\r\n< if_X_fa_rep 1.11031\r\n< if_X_fa_sol 9.82768\r\n< if_X_hbond_bb_sc -0.0503356\r\n---\r\n> if_X_fa_rep 0.792268\r\n> if_X_fa_sol 7.42613\r\n> if_X_hbond_bb_sc -0.0564146\r\n5013c5013\r\n< if_X_hbond_sc -0.841311\r\n---\r\n> if_X_hbond_sc -0.0762237\r\n5020,5021c5020,5021\r\n< interface_delta_X -8.54263\r\n< ligand_centroid_travel_X 4.91301\r\n---\r\n> interface_delta_X -7.48959\r\n> ligand_centroid_travel_X 5.08309\r\n5023,5027c5023,5027\r\n< ligand_radius_of_gyration_X 5.34296\r\n< ligand_rms_no_super_X 10.6272\r\n< ligand_rms_with_super_X 3.50658\r\n< omega 33.9458\r\n< p_aa_pp -39.5014\r\n---\r\n> ligand_radius_of_gyration_X 5.33265\r\n> ligand_rms_no_super_X 10.7104\r\n> ligand_rms_with_super_X 3.69194\r\n> omega 29.5325\r\n> p_aa_pp -38.324\r\n5029c5029\r\n< rama -16.8287\r\n---\r\n> rama -17.304\r\n5031c5031\r\n< total_score -739.969\r\n---\r\n> total_score -749.768\r\n5037,5038c5037,5038\r\n< pose -1294.66 141.385 578.844 3.1163 -64.9887 31.1838 -43.5 -134.943 -76.9337 -34.896 -40.9119 0 0 0 0 0 3.26287 0 0 -16.8287 33.9458 252.971 -39.5014 -37.51 0 -739.969\r\n< ALA:NtermProteinFull_1 -2.25883 0.45509 2.28502 0.00191 -0.14996 0 0 0 0 -0.32905 0 0 0 0 0 0 1.63143 0 0 0 0.06449 0 0 0.05 0 1.75009\r\n---\r\n> pose -1293.94 136.479 577.44 3.13741 -65.3136 31.1838 -44.7669 -135.002 -77.0689 -36.9312 -41.8527 0 0 0 0 0 2.28464 0 0 -17.304 29.5325 258.183 -38.324 -37.51 0 -749.768\r\n> ALA:NtermProteinFull_1 -2.25883 0.45509 2.28502 0.00191 -0.14996 0 0 0 0 -0.32905 0 0 0 0 0 0 1.14232 0 0 0 0.06449 0 0 0.05 0 1.26098\r\n5049c5049\r\n< TYR_12 -4.71116 0.17364 1.51682 0.02445 -0.32437 0 0 0 0 -0.35753 0 0 0 0 0 0 0 0 0 -0.19006 0.05844 1.12995 -0.10713 0.81 0 -1.97693\r\n---\r\n> TYR_12 -4.7236 0.17874 1.5191 0.02445 -0.32438 0 0 0 0 -0.35753 0 0 0 0 0 0 0 0 0 -0.19006 0.05844 1.12995 -0.10713 0.81 0 -1.98201\r\n5100,5117c5100,5117\r\n< TRP_63 -8.91359 0.60377 2.74291 0.02839 -0.53453 0 0 0 0 0 -0.91866 0 0 0 0 0 0 0 0 -0.08518 0.13257 1.52398 -0.14595 2.88 0 -2.68629\r\n< ILE_64 -4.87706 0.50668 1.28068 0.01693 -0.32563 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 0.1681 0.19372 -0.22194 -0.73 0 -3.95032\r\n< ASP_65 -5.02029 0.44997 3.46245 0.00498 -0.89518 0 -0.54815 0 0 0 -1.79011 0 0 0 0 0 0 0 0 0.21908 0.01492 2.09108 0.6373 -0.65 0 -2.02396\r\n< LEU_66 -5.34877 0.57312 1.76306 0.009 -0.23821 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.07394 0.12653 1.3444 0.36758 -0.66 0 -1.98935\r\n< GLY_67 -2.42849 0.18427 1.4577 2e-05 -0.06889 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.38331 0.02019 0 -1.15393 -0.55 0 -2.92244\r\n< ILE_68 -3.71759 0.82056 1.35378 0.01861 -0.05786 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00857 1.54634 0.94936 0.59483 -0.73 0 0.7866\r\n< HIS_69 -7.7626 0.89918 4.17821 0.00341 -0.17143 0 -0.74962 0 0 0 -0.70348 0 0 0 0 0 0.06829 0 0 -0.00372 0.93457 2.21224 0.0335 1.17 0 0.10855\r\n< SER_70 -3.81502 0.32137 2.57054 0.00289 -0.20164 0 -0.28446 0 0 -0.23965 0 0 0 0 0 0 0.04544 0 0 -0.25413 0.00181 0.37799 -0.03795 0 0 -1.51281\r\n< ARG_71 -7.71973 0.77833 4.18848 0.01162 -0.93433 0 -0.65725 0 0 -0.42214 -1.60778 0 0 0 0 0 0.01278 0 0 -0.23976 0.01489 1.76204 0.01299 -0.77 0 -5.56985\r\n< GLU_72 -7.01039 0.93408 4.59032 0.00754 -0.62288 0 -0.74108 0 0 0 -0.69014 0 0 0 0 0 0 0 0 0.23628 0.21596 1.94949 0.01253 -0.27 0 -1.3883\r\n< TRP_73 -7.01894 0.66049 3.05105 0.02811 -0.23922 0 0 0 0 0 -0.62177 0 0 0 0 0 0 0 0 -0.18499 0.01815 1.58263 0.06202 2.88 0 0.21753\r\n< ILE_74 -4.76071 0.42626 1.56333 0.02393 -0.16591 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.07612 0.00489 1.14106 0.23441 -0.73 0 -2.33886\r\n< THR_75 -5.63532 0.92471 2.9107 0.00503 -0.53766 0 -0.21567 0 0 0 0 0 0 0 0 0 0 0 0 0.02568 0.05089 1.18079 0.0587 -0.57 0 -1.80216\r\n< GLN_76 -5.94789 0.29449 3.32249 0.02839 -0.17728 0 -0.13792 0 0 -0.16711 0 0 0 0 0 0 0 0 0 -0.17408 0.00916 2.77353 -0.22319 -0.29 0 -0.68941\r\n< ALA_77 -3.2496 0.19953 1.14847 0.00081 -0.0265 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22401 0.01881 0 -0.28077 0.05 0 -2.36325\r\n< THR_78 -4.73363 0.20152 2.12625 0.01099 -0.3165 0 -0.14584 0 0 0 0 0 0 0 0 0 0 0 0 -0.09373 9e-05 0.19334 0.19014 -0.57 0 -3.13738\r\n< GLY_79 -3.46531 0.23356 1.34254 6e-05 -0.14628 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.10685 0.09729 0 0.42748 -0.55 0 -1.95381\r\n< VAL_80 -4.76405 0.57155 1.15928 0.01303 -0.131 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.03954 0.03381 0.0158 0.07048 -0.57 0 -3.64064\r\n---\r\n> TRP_63 -8.91359 0.60377 2.74291 0.02839 -0.53462 0 0 0 0 0 -0.91866 0 0 0 0 0 0 0 0 -0.08518 0.13257 1.52398 -0.14595 2.88 0 -2.68638\r\n> ILE_64 -4.89203 0.50805 1.27758 0.01693 -0.3268 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 0.1681 0.19372 -0.22194 -0.73 0 -3.9682\r\n> ASP_65 -4.99472 0.4514 3.43984 0.00498 -0.90731 0 -0.56561 0 0 0 -1.80186 0 0 0 0 0 0 0 0 0.21908 0.01492 2.09108 0.6373 -0.65 0 -2.06089\r\n> LEU_66 -5.33367 0.54162 1.76143 0.009 -0.23026 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.07394 0.12653 1.3444 0.36758 -0.66 0 -1.99943\r\n> GLY_67 -2.43925 0.22539 1.45457 2e-05 -0.03147 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 0.02584 0 -1.16535 -0.55 0 -2.86364\r\n> ILE_68 -3.99655 0.39327 1.36351 0.01909 -0.1194 0 0 0 0 0 0 0 0 0 0 0 0.04488 0 0 -0.09162 0.0904 0.57794 0.19437 -0.73 0 -2.2541\r\n> HIS_69 -7.12693 0.704 3.70652 0.00508 -0.17855 0 -0.84197 0 0 0 -0.77872 0 0 0 0 0 0.0376 0 0 0.00795 0.67912 2.24735 0.12066 1.17 0 -0.2479\r\n> SER_70 -3.87565 0.32404 2.60016 0.00168 -0.22795 0 -0.2882 0 0 -0.29744 0 0 0 0 0 0 0.03302 0 0 -0.25413 0.00181 0.5239 -0.03795 0 0 -1.49671\r\n> ARG_71 -7.51875 0.54084 4.0796 0.02263 -0.91544 0 -0.70606 0 0 -0.34742 -0.80235 0 0 0 0 0 0.01539 0 0 -0.25172 0.0407 1.77177 -0.0301 -0.77 0 -4.8709\r\n> GLU_72 -6.60948 0.94649 4.32664 0.0074 -0.70225 0 -0.84996 0 0 -0.46945 -0.45508 0 0 0 0 0 0.00673 0 0 0.23263 0.13933 1.70872 -0.00663 -0.27 0 -1.99491\r\n> TRP_73 -7.10343 0.68765 3.09642 0.02811 -0.2464 0 0 0 0 0 -0.62334 0 0 0 0 0 0.00881 0 0 -0.18499 0.01815 1.58263 0.06202 2.88 0 0.20562\r\n> ILE_74 -4.71341 0.4058 1.56753 0.02393 -0.18024 0 0 0 0 0 0 0 0 0 0 0 0.00167 0 0 -0.07612 0.00489 1.14106 0.23441 -0.73 0 -2.32049\r\n> THR_75 -5.55608 0.85678 2.85784 0.00596 -0.44506 0 -0.21616 0 0 0 -0.24204 0 0 0 0 0 0.00039 0 0 0.02145 0.06378 1.02567 0.05401 -0.57 0 -2.14345\r\n> GLN_76 -5.97696 0.41705 3.33743 0.02839 -0.2298 0 -0.12027 0 0 -0.11529 -0.24204 0 0 0 0 0 0 0 0 -0.17408 0.00916 2.77353 -0.22319 -0.29 0 -0.80607\r\n> ALA_77 -3.24842 0.19922 1.15057 0.00081 -0.02744 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22401 0.01881 0 -0.28077 0.05 0 -2.36123\r\n> THR_78 -4.71269 0.19976 2.11664 0.01099 -0.31172 0 -0.14581 0 0 0 0 0 0 0 0 0 0 0 0 -0.09373 9e-05 0.19334 0.19014 -0.57 0 -3.12299\r\n> GLY_79 -3.46502 0.23356 1.3422 6e-05 -0.14602 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.10685 0.09729 0 0.42748 -0.55 0 -1.9536\r\n> VAL_80 -4.76403 0.57155 1.15925 0.01303 -0.13097 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.03954 0.03381 0.0158 0.07048 -0.57 0 -3.64062\r\n5119c5119\r\n< PHE_82 -7.45812 0.48192 1.68832 0.04186 -0.07938 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.02379 0.00305 2.27971 -0.10522 1.88 0 -1.29165\r\n---\r\n> PHE_82 -7.46107 0.49586 1.68794 0.04186 -0.07942 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.02379 0.00305 2.27971 -0.10522 1.88 0 -1.28109\r\n5144c5144\r\n< LEU_107 -4.64945 0.15922 1.0427 0.00638 -0.28381 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.11581 0.02585 0.29432 -0.09909 -0.66 0 -4.04808\r\n---\r\n> LEU_107 -4.64945 0.15922 1.0427 0.00638 -0.28368 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.11581 0.02585 0.29432 -0.09909 -0.66 0 -4.04795\r\n5146,5149c5146,5149\r\n< ILE_109 -3.94936 0.10675 0.70673 0.02517 0.00974 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.03327 0.00071 0.16803 -0.07163 -0.73 0 -3.76713\r\n< VAL_110 -3.41328 0.22561 0.65838 0.0118 0.05539 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.17065 0.07147 0.04091 -0.00979 -0.57 0 -2.75885\r\n< THR_111 -3.97276 0.46835 2.36642 0.01265 -0.17405 0 -0.2184 0 0 0 0 0 0 0 0 0 0 0 0 -0.18029 0.07006 0.95796 0.01751 -0.57 0 -1.22255\r\n< ASN_112 -4.69159 0.24034 2.72647 0.01706 -0.50184 0.00623 -0.40213 0 0 -0.96224 0 0 0 0 0 0 0 0 0 0.00722 0.1237 1.49153 -0.26144 -0.76 0 -2.96669\r\n---\r\n> ILE_109 -3.94942 0.10675 0.70669 0.02517 0.00983 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.03327 0.00071 0.16803 -0.07163 -0.73 0 -3.76713\r\n> VAL_110 -3.41313 0.22561 0.65832 0.0118 0.05539 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.17065 0.07147 0.04091 -0.00979 -0.57 0 -2.75876\r\n> THR_111 -3.87634 0.36886 2.34758 0.01265 -0.17248 0 -0.22045 0 0 0 0 0 0 0 0 0 0 0 0 -0.18029 0.07006 0.95796 0.01751 -0.57 0 -1.24493\r\n> ASN_112 -4.79573 0.24035 2.80086 0.01706 -0.54247 0.00623 -0.40644 0 0 -0.96224 0 0 0 0 0 0 0 0 0 0.00722 0.1237 1.49153 -0.26144 -0.76 0 -3.04137\r\n5151,5157c5151,5157\r\n< ASN_114 -5.50375 0.5409 3.41559 0.01598 -0.32451 0 -0.55532 0 0 -0.58252 -0.42032 0 0 0 0 0 0 0 0 0.12839 0.0362 2.30379 0.27118 -0.76 0 -1.4344\r\n< GLY_115 -3.58654 0.52295 1.88653 3e-05 -0.13955 0 0 0 0 -0.57664 0 0 0 0 0 0 0 0 0 0.1123 0.02813 0 0.41272 -0.55 0 -1.89007\r\n< PHE_116 -7.37763 0.8401 2.69773 0.0244 -0.19117 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.04217 0.01222 1.26907 0.01412 1.88 0 -0.87332\r\n< ALA_117 -3.18794 0.35035 1.50742 0.00103 -0.22275 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.23603 0.00232 0 -0.20995 0.05 0 -1.94556\r\n< PHE_118 -7.45007 0.86169 2.86077 0.0226 -0.16268 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.11393 0.09866 1.56846 0.20995 1.88 0 -0.22454\r\n< THR_119 -5.93973 0.81807 3.22547 0.00422 -0.33073 0 -0.22738 0 0 0 -0.62177 0 0 0 0 0 0 0 0 -0.19335 0.01574 0.09133 0.03758 -0.57 0 -3.69057\r\n< HIS_D_120 -4.81323 0.49442 2.01676 0.00203 0.04471 0 -0.11066 0 0 0 0 0 0 0 0 0 0 0 0 -0.04484 0.13701 1.09967 -0.10228 1.17 0 -0.1064\r\n---\r\n> ASN_114 -5.50296 0.5409 3.41509 0.01598 -0.32446 0 -0.55532 0 0 -0.58252 -0.42032 0 0 0 0 0 0 0 0 0.12839 0.0362 2.30379 0.27118 -0.76 0 -1.43405\r\n> GLY_115 -3.5867 0.54577 1.89287 3e-05 -0.14676 0 0 0 0 -0.57664 0 0 0 0 0 0 0 0 0 0.1123 0.02813 0 0.41272 -0.55 0 -1.86827\r\n> PHE_116 -7.41974 0.85712 2.71733 0.0244 -0.19323 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.04217 0.01222 1.26907 0.01412 1.88 0 -0.88087\r\n> ALA_117 -3.18796 0.35035 1.50743 0.00103 -0.22276 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.23603 0.00232 0 -0.20995 0.05 0 -1.94558\r\n> PHE_118 -7.40345 0.90134 2.84343 0.0226 -0.16274 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.11393 0.09866 1.56846 0.20995 1.88 0 -0.15567\r\n> THR_119 -5.94983 0.81959 3.2279 0.00422 -0.32856 0 -0.22982 0 0 0 -0.62334 0 0 0 0 0 0 0 0 -0.19335 0.01574 0.09133 0.03758 -0.57 0 -3.69854\r\n> HIS_D_120 -4.89127 0.50215 2.04746 0.00203 0.04511 0 -0.11066 0 0 0 0 0 0 0 0 0 0 0 0 -0.04484 0.13701 1.09967 -0.10228 1.17 0 -0.14562\r\n5160,5167c5160,5167\r\n< ASN_123 -3.9694 0.68365 1.96823 0.01386 -0.1616 0 0 0 0 -0.25772 0 0 0 0 0 0 0 0 0 0.10898 0.10255 0.99144 -0.46969 -0.76 0 -1.74971\r\n< ARG_124 -2.73719 0.15981 1.11295 0.00749 0.06739 0 -0.00488 0 0 0 0 0 0 0 0 0 0 0 0 -0.17656 0.05158 0.85906 0.00274 -0.77 0 -1.42761\r\n< LEU_125 -3.04538 0.69347 1.35255 0.0082 -0.23548 0 0 0 0 -0.67986 0 0 0 0 0 0 0 0 0 0.00957 0.04646 0.0283 0.08062 -0.66 0 -2.40155\r\n< TRP_126 -7.5085 0.26599 3.09457 0.02254 -0.28471 0 0 0 0 -0.32192 0 0 0 0 0 0 0 0 0 -0.27628 0.02345 1.38044 -0.02266 2.88 0 -0.74708\r\n< ARG_127 -7.06787 0.48552 4.63276 0.01239 -0.11786 0 -0.80666 0 0 0 -0.60161 0 0 0 0 0 0 0 0 0.12601 0.5421 2.10332 0.06163 -0.77 0 -1.40026\r\n< LYS_128 -6.01177 0.42033 3.68957 0.00643 -0.44406 0 -0.2179 0 0 -0.3856 0 0 0 0 0 0 0 0 0 0.34379 0.22924 1.35826 0.70267 -0.42 0 -0.72903\r\n< THR_129 -4.05446 0.24912 2.74048 0.00359 -0.50625 0 -0.32088 0 0 -0.85228 -0.62765 0 0 0 0 0 0 0 0 0.32345 0.04825 0.10791 0.09024 -0.57 0 -3.36848\r\n< ARG_130 -4.92093 0.45535 2.52118 0.011 -0.12569 0 -1.24851 0 0 0 0 0 0 0 0 0 0 0 0 0.022 0.24957 1.26836 0.07195 -0.77 0 -2.46572\r\n---\r\n> ASN_123 -3.98568 0.68381 1.97128 0.01386 -0.16328 0 0 0 0 -0.24627 0 0 0 0 0 0 0 0 0 0.10898 0.10255 0.99144 -0.46969 -0.76 0 -1.75301\r\n> ARG_124 -2.69846 0.15357 1.102 0.00749 0.0701 0 -0.00488 0 0 0 0 0 0 0 0 0 0 0 0 -0.17656 0.05158 0.85906 0.00274 -0.77 0 -1.40336\r\n> LEU_125 -2.88584 0.42422 1.16539 0.00898 -0.20643 0 0 0 0 -0.59369 0 0 0 0 0 0 0 0 0 0.00957 0.04646 0.03129 0.08062 -0.66 0 -2.57943\r\n> TRP_126 -7.42661 0.30751 3.06781 0.02442 -0.31982 0 0 0 0 -0.46448 0 0 0 0 0 0 0 0 0 -0.27628 0.02345 1.49827 -0.02266 2.88 0 -0.70839\r\n> ARG_127 -7.40943 0.38251 4.93647 0.01797 -0.39521 0 -0.88197 0 0 0 -1.07108 0 0 0 0 0 0 0 0 0.12601 0.5421 2.29758 0.06163 -0.77 0 -2.16341\r\n> LYS_128 -6.40469 0.43501 4.03532 0.00613 -0.55334 0 -0.45798 0 0 -0.84431 0 0 0 0 0 0 0 0 0 0.34379 0.22924 1.46938 0.70267 -0.42 0 -1.45877\r\n> THR_129 -4.0596 0.26584 2.73812 0.00359 -0.50799 0 -0.30565 0 0 -0.88524 -0.62765 0 0 0 0 0 0 0 0 0.32345 0.04825 0.10791 0.09024 -0.57 0 -3.37873\r\n> ARG_130 -4.84487 0.45535 2.48121 0.011 -0.13352 0 -1.24851 0 0 0 0 0 0 0 0 0 0 0 0 0.022 0.24957 1.26836 0.07195 -0.77 0 -2.43746\r\n5170c5170\r\n< THR_133 -2.88407 0.99445 1.72701 0.00521 0.02688 0 -0.09134 0 0 0 0 0 0 0 0 0 0 0 0 0.22268 0.12005 0.05907 0.39776 -0.57 0 0.0077\r\n---\r\n> THR_133 -2.88407 0.99445 1.72701 0.00521 0.02688 0 -0.07558 0 0 0 0 0 0 0 0 0 0 0 0 0.22268 0.12005 0.05907 0.39776 -0.57 0 0.02346\r\n5173c5173\r\n< SER_136 -3.02079 0.72406 1.97094 0.00151 -0.01985 0 -0.31514 0 0 -0.01915 0 0 0 0 0 0 0 0 0 0.04953 0.2252 0.26489 0.06029 0 0 -0.07852\r\n---\r\n> SER_136 -3.02079 0.72406 1.97094 0.00151 -0.01985 0 -0.34527 0 0 -0.01915 0 0 0 0 0 0 0 0 0 0.04953 0.2252 0.26489 0.06029 0 0 -0.10866\r\n5175,5194c5175,5194\r\n< CYS_138 -2.50826 1.48465 1.49123 0.00372 0.15481 0 0 0 0 -0.01915 0 0 0 0 0 0 0 0 0 -0.24631 0.11113 1.8536 0.06212 0.09 0 2.47754\r\n< VAL_139 -2.91235 0.33776 1.1964 0.01948 -0.12747 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.04688 0.46181 0.41796 -0.11912 -0.57 0 -1.34242\r\n< GLY_140 -2.60649 0.19775 1.3392 0 -0.2654 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.07711 0.00134 0 -1.22778 -0.55 0 -3.03427\r\n< VAL_141 -5.12751 0.77227 2.39628 0.01068 -0.23577 0 0 0 0 -0.6029 0 0 0 0 0 0 0 0 0 -0.16541 0.20748 0.2604 -0.39728 -0.57 0 -3.45176\r\n< ASP_142 -6.41694 0.52816 4.25535 0.0106 -1.24398 0 -1.10004 0 0 -0.33813 -1.30508 0 0 0 0 0 0.04321 0 0 -0.14707 0.05293 1.11559 -0.54882 -0.65 0 -5.74422\r\n< ALA_143 -2.99112 0.26439 1.21753 0.00094 -0.00975 0 0 0 0 -0.03583 0 0 0 0 0 0 0.03009 0 0 -0.28829 0.08246 0 -0.08075 0.05 0 -1.76033\r\n< ASN_144 -5.18077 0.31122 3.24814 0.00705 -0.32162 0 -0.7856 0 0 -1.24488 0 0 0 0 0 0 0.04309 0 0 -0.17298 0.77662 1.6991 -0.62232 -0.76 0 -3.00295\r\n< ARG_145 -7.52675 0.45357 4.47268 0.01317 -0.23265 0 -0.59364 0 0 -0.52397 0 0 0 0 0 0 0.00757 0 0 0.03548 0.43313 1.13228 -0.00475 -0.77 0 -3.10387\r\n< ASN_146 -6.57353 0.1735 3.68395 0.00559 -0.45806 0 -0.43314 0 0 -1.28276 -0.64783 0 0 0 0 0 0 0 0 -0.1849 0.00775 2.9059 -0.25105 -0.76 0 -3.81458\r\n< TRP_147 -9.063 1.22405 2.66586 0.03855 -0.16981 0 0 0 0 -0.03583 0 0 0 0 0 0 0 0 0 -0.13533 0.22344 1.5316 0.12532 2.88 0 -0.71514\r\n< ASP_148 -1.7949 0.0352 0.88 0.01032 -0.0694 0 -0.12043 0 0 0 0 0 0 0 0 0 0 0 0 -0.01779 0.05287 1.0241 -0.48354 -0.65 0 -1.13357\r\n< ALA_149 -3.20922 0.36186 1.29764 0.00283 -0.164 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.51219 0.09149 0 0.19025 0.05 0 -0.86697\r\n< GLY_150 -2.43724 0.33484 1.12309 3e-05 0.00944 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27026 0.06643 0 -0.71624 -0.55 0 -2.43991\r\n< PHE_151 -5.84382 0.75013 1.79096 0.02753 0.02014 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22628 0.01921 1.03325 0.13748 1.88 0 -0.4114\r\n< GLY_152 -1.43144 0.08338 0.68428 1e-05 0.04026 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.21167 0.0514 0 -1.24555 -0.55 0 -2.57933\r\n< LYS_153 -2.98114 0.67108 1.73328 0.00322 0.0462 0 0.04793 0 0 -0.38793 0 0 0 0 0 0 0 0 0 -0.04593 0.00288 0.51426 0.3176 -0.42 0 -0.49854\r\n< ALA_154 -1.68863 0.44403 1.04257 0.00093 -0.0163 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.09831 0.06351 0 -0.2633 0.05 0 -0.4655\r\n< GLY_155 -2.198 0.12407 1.19419 2e-05 -0.13322 0 0 0 0 -0.14285 0 0 0 0 0 0 0 0 0 -0.12507 0.05991 0 -1.26218 -0.55 0 -3.03311\r\n< ALA_156 -2.38323 0.13239 0.98301 0.00128 -0.0038 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.02576 0.0007 0 -0.04484 0.05 0 -1.23874\r\n< SER_157 -3.75168 0.60518 2.42961 0.00212 -0.37529 0 -0.27225 0 0 -0.46497 0 0 0 0 0 0 0 0 0 0.01301 0.0766 0.69029 0.20438 0 0 -0.84301\r\n---\r\n> CYS_138 -2.508 1.48465 1.49002 0.00372 0.14887 0 0 0 0 -0.01915 0 0 0 0 0 0 0 0 0 -0.24631 0.11113 1.8536 0.06212 0.09 0 2.47064\r\n> VAL_139 -2.86322 0.29919 1.21443 0.01948 -0.13128 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.04688 0.46181 0.41796 -0.11912 -0.57 0 -1.31762\r\n> GLY_140 -2.67926 0.21406 1.43949 0 -0.35462 0 0 0 0 -0.45871 0 0 0 0 0 0 0 0 0 0.07711 0.00134 0 -1.22778 -0.55 0 -3.53837\r\n> VAL_141 -5.18797 0.77921 2.4501 0.01068 -0.22326 0 0 0 0 -0.6029 0 0 0 0 0 0 0 0 0 -0.17015 0.16951 0.20306 -0.4362 -0.57 0 -3.57792\r\n> ASP_142 -6.41553 0.51955 4.24308 0.00945 -1.32391 0 -1.12579 0 0 -0.32906 -1.8498 0 0 0 0 0 0 0 0 -0.14311 0.12893 1.08958 -0.55649 -0.65 0 -6.40312\r\n> ALA_143 -2.99353 0.32319 1.19492 0.00093 -0.01631 0 0 0 0 -0.03587 0 0 0 0 0 0 0.08717 0 0 -0.28829 0.08246 0 -0.08075 0.05 0 -1.67608\r\n> ASN_144 -5.43437 0.44243 3.35903 0.00975 -0.31411 0 -0.78615 0 0 -1.28696 0 0 0 0 0 0 0.09048 0 0 -0.19009 0.66723 1.74244 -0.6263 -0.76 0 -3.08662\r\n> ARG_145 -7.89216 0.40683 4.81289 0.01224 -0.41866 0 -0.60351 0 0 -0.40887 -0.63323 0 0 0 0 0 0.08458 0 0 0.01552 0.24612 1.30175 -0.03822 -0.77 0 -3.88471\r\n> ASN_146 -6.59141 0.16697 3.68973 0.00559 -0.42676 0 -0.44309 0 0 -1.25278 -0.57168 0 0 0 0 0 0.00056 0 0 -0.18451 0.01269 2.90552 -0.25035 -0.76 0 -3.69952\r\n> TRP_147 -9.06415 1.22385 2.67418 0.03855 -0.17553 0 0 0 0 -0.03587 0 0 0 0 0 0 0 0 0 -0.13617 0.22344 1.54249 0.13748 2.88 0 -0.69172\r\n> ASP_148 -1.797 0.0352 0.88231 0.01032 -0.06954 0 -0.12043 0 0 0 0 0 0 0 0 0 0 0 0 -0.01779 0.05287 1.0241 -0.48354 -0.65 0 -1.1335\r\n> ALA_149 -3.18461 0.35783 1.28451 0.00283 -0.15813 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.51219 0.09149 0 0.19025 0.05 0 -0.85365\r\n> GLY_150 -2.41756 0.31846 1.11278 3e-05 0.00649 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27026 0.06643 0 -0.71624 -0.55 0 -2.44988\r\n> PHE_151 -5.84173 0.75151 1.78737 0.02753 0.02226 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22628 0.01921 1.03325 0.13748 1.88 0 -0.40941\r\n> GLY_152 -1.43374 0.08338 0.6841 1e-05 0.04153 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.21167 0.0514 0 -1.24555 -0.55 0 -2.58054\r\n> LYS_153 -2.97242 0.66417 1.72684 0.00322 0.043 0 0.04793 0 0 -0.39809 0 0 0 0 0 0 0 0 0 -0.04593 0.00288 0.51426 0.3176 -0.42 0 -0.51653\r\n> ALA_154 -1.75113 0.47192 1.08143 0.00093 -0.02589 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.09831 0.06351 0 -0.2633 0.05 0 -0.47082\r\n> GLY_155 -2.22142 0.11958 1.1931 2e-05 -0.0699 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.12507 0.05991 0 -1.26218 -0.55 0 -2.85595\r\n> ALA_156 -2.34206 0.12928 0.96369 0.00128 -0.01474 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.02576 0.0007 0 -0.04484 0.05 0 -1.23093\r\n> SER_157 -3.75234 0.60521 2.43038 0.00212 -0.37529 0 -0.18075 0 0 -0.46497 0 0 0 0 0 0 0 0 0 0.01301 0.0766 0.69029 0.20438 0 0 -0.75136\r\n5196,5214c5196,5214\r\n< SER_159 -3.31933 1.02562 2.03779 0.00125 -0.19088 1.0466 -0.15849 0 0 -0.46497 0 0 0 0 0 0 0 0 0 -0.01539 0.20188 1.15042 0.18342 0 0 1.49792\r\n< PRO_160 -3.65504 0.33429 1.15643 0.00537 -0.1093 1.29454 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 0.0453 0.36177 -0.61321 -0.33 0 -1.59946\r\n< CYS_161 -1.82339 1.5725 1.08223 0.00358 0.05908 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14636 0.02012 1.36675 0.17132 0.09 0 2.39582\r\n< SER_162 -3.46701 0.92283 2.49692 0.00138 -0.46851 0 -0.13017 0 0 -0.36422 -0.40043 0 0 0 0 0 0 0 0 -0.24181 0.0104 0.61359 -0.13889 0 0 -1.16594\r\n< GLU_163 -2.74241 0.30302 1.9482 0.00419 -0.5991 0 -0.64294 0 0 0 -1.05736 0 0 0 0 0 0 0 0 -0.27037 0.1333 2.64182 -0.14806 -0.27 0 -0.69969\r\n< THR_164 -3.53936 0.88044 2.31368 0.00544 -0.22173 0 -0.15874 0 0 -0.36422 -0.40043 0 0 0 0 0 0 0 0 -0.07276 0.02874 0.01776 -0.20642 -0.57 0 -2.2876\r\n< TYR_165 -9.2193 1.56072 3.31905 0.027 -0.2713 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.25355 0.27571 1.29893 0.03275 0.81 0 -2.42\r\n< HIS_D_166 -6.98049 0.64628 2.94702 0.01095 -0.43422 0 -0.16973 0 0 -1.32149 -0.54228 0 0 0 0 0 0 0 0 -0.21014 0.05359 3.19597 -0.07282 1.17 0 -1.70734\r\n< GLY_167 -3.1357 0.31929 1.59105 0.00023 -0.17015 0 0 0 0 -0.79442 0 0 0 0 0 0 0 0 0 -0.00857 0.04059 0 -1.25205 -0.55 0 -3.95975\r\n< LYS_168 -1.38559 0.04105 0.72523 0.00351 0.02265 0 0.13131 0 0 0 0 0 0 0 0 0 0 0 0 -0.23321 0.17897 0.50288 -0.07122 -0.42 0 -0.50444\r\n< TYR_169 -4.35397 0.57374 1.69804 0.02856 -0.08376 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.09436 0.00038 0.77009 -0.33788 0.81 0 -0.98915\r\n< ALA_170 -3.41588 0.44142 1.1947 0.00124 -0.09087 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.34358 0.0663 0 -0.12297 0.05 0 -2.21963\r\n< ASN_171 -3.99531 0.33485 2.22939 0.00551 -0.20278 0 -0.3687 0 0 0 0 0 0 0 0 0 0 0 0 -0.21752 0.06916 0.94854 -0.59833 -0.76 0 -2.55519\r\n< SER_172 -3.64034 0.4462 2.30709 0.00212 -0.31333 0 -0.36584 0 0 0 -1.07892 0 0 0 0 0 0 0 0 -0.28153 0.04251 0.0925 -0.14538 0 0 -2.93494\r\n< GLU_173 -5.30112 0.63639 3.61336 0.0062 -0.96537 0 -0.46051 0 0 -0.75569 -1.05874 0 0 0 0 0 0 0 0 -0.14046 0.03855 3.18953 -0.02413 -0.27 0 -1.49201\r\n< VAL_174 -3.69218 0.425 1.78419 0.0189 -0.27101 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08352 0.01508 0.63742 0.26186 -0.57 0 -1.47427\r\n< GLU_175 -4.49954 0.57058 2.63777 0.01843 -0.41005 0 -0.36079 0 0 -0.40307 0 0 0 0 0 0 0 0 0 -0.24736 0.42656 2.23539 -0.11759 -0.27 0 -0.41968\r\n< VAL_176 -5.46155 0.64783 1.84693 0.00916 -0.13174 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 0.01246 0.52227 -0.19665 -0.57 0 -3.23899\r\n< LYS_177 -4.03839 0.14867 2.33464 0.007 -0.60404 0 -0.74891 0 0 0 -0.45155 0 0 0 0 0 0 0 0 -0.13828 0.01607 1.19703 -0.07737 -0.42 0 -2.77513\r\n---\r\n> SER_159 -3.31999 1.02562 2.04181 0.00125 -0.1995 1.0466 -0.24414 0 0 -0.46497 0 0 0 0 0 0 0 0 0 -0.01539 0.20188 1.15042 0.18342 0 0 1.40702\r\n> PRO_160 -3.67926 0.33599 1.20844 0.00537 -0.12922 1.29454 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 0.0453 0.36177 -0.61321 -0.33 0 -1.58988\r\n> CYS_161 -1.81179 1.5725 1.05983 0.00358 0.05777 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14636 0.02012 1.36675 0.17132 0.09 0 2.38371\r\n> SER_162 -3.46359 0.91942 2.4849 0.00138 -0.46626 0 -0.35881 0 0 -0.36422 -0.39739 0 0 0 0 0 0 0 0 -0.24181 0.0104 0.61359 -0.13889 0 0 -1.4013\r\n> GLU_163 -2.82083 0.32376 1.89218 0.00521 -0.5387 0 -0.61345 0 0 0 -0.58306 0 0 0 0 0 0 0 0 -0.27037 0.1333 2.22168 -0.14806 -0.27 0 -0.66834\r\n> THR_164 -3.55074 0.8785 2.32283 0.00541 -0.21061 0 -0.10091 0 0 -0.36422 -0.39739 0 0 0 0 0 0 0 0 -0.07276 0.02874 0.0062 -0.20642 -0.57 0 -2.23137\r\n> TYR_165 -9.25722 1.56033 3.38726 0.027 -0.2388 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.25355 0.27571 1.29893 0.03275 0.81 0 -2.3576\r\n> HIS_D_166 -6.97485 0.64478 2.94705 0.01095 -0.43254 0 -0.16838 0 0 -1.33465 -0.54228 0 0 0 0 0 0 0 0 -0.21014 0.05359 3.19597 -0.07282 1.17 0 -1.71331\r\n> GLY_167 -3.1311 0.31929 1.58848 0.00023 -0.1693 0 0 0 0 -0.79442 0 0 0 0 0 0 0 0 0 -0.00857 0.04059 0 -1.25205 -0.55 0 -3.95685\r\n> LYS_168 -1.38574 0.04105 0.72531 0.00351 0.02252 0 0.13131 0 0 0 0 0 0 0 0 0 0 0 0 -0.23321 0.17897 0.50288 -0.07122 -0.42 0 -0.50464\r\n> TYR_169 -4.37155 0.57374 1.70983 0.02856 -0.08904 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.09436 0.00038 0.77009 -0.33788 0.81 0 -1.00023\r\n> ALA_170 -3.43605 0.43971 1.2066 0.00124 -0.09159 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.34358 0.0663 0 -0.12297 0.05 0 -2.23035\r\n> ASN_171 -4.01781 0.34137 2.24853 0.00551 -0.19255 0 -0.37695 0 0 0 0 0 0 0 0 0 0 0 0 -0.21752 0.06916 0.94854 -0.59833 -0.76 0 -2.55006\r\n> SER_172 -3.65342 0.44647 2.31957 0.00212 -0.30537 0 -0.36584 0 0 0 -1.00276 0 0 0 0 0 0 0 0 -0.28153 0.04251 0.0925 -0.14538 0 0 -2.85114\r\n> GLU_173 -5.28209 0.61967 3.58601 0.0062 -0.95749 0 -0.4651 0 0 -0.71254 -1.05874 0 0 0 0 0 0 0 0 -0.14046 0.03855 3.18953 -0.02413 -0.27 0 -1.4706\r\n> VAL_174 -3.69211 0.425 1.78406 0.0189 -0.27101 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08352 0.01508 0.63742 0.26186 -0.57 0 -1.47432\r\n> GLU_175 -4.49716 0.57058 2.63536 0.01843 -0.40839 0 -0.36079 0 0 -0.40307 0 0 0 0 0 0 0 0 0 -0.24736 0.42656 2.23539 -0.11759 -0.27 0 -0.41804\r\n> VAL_176 -5.4478 0.65049 1.85326 0.00916 -0.13068 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 0.01246 0.52227 -0.19665 -0.57 0 -3.21519\r\n> LYS_177 -4.03854 0.14867 2.33487 0.007 -0.60439 0 -0.74891 0 0 0 -0.45155 0 0 0 0 0 0 0 0 -0.13828 0.01607 1.19703 -0.07737 -0.42 0 -2.7754\r\n5216c5216\r\n< ILE_179 -5.28302 0.46955 1.80785 0.01877 -0.1564 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.02262 0.031 0.10725 -0.29049 -0.73 0 -4.00288\r\n---\r\n> ILE_179 -5.26385 0.46955 1.81523 0.01877 -0.15607 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.02262 0.031 0.10725 -0.29049 -0.73 0 -3.976\r\n5229,5247c5229,5247\r\n< PHE_192 -6.41464 0.26411 1.94091 0.02566 -0.20213 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.10529 0.0209 1.48195 -0.1818 1.88 0 -1.07976\r\n< LEU_193 -4.80806 0.45864 1.30104 0.00816 -0.19459 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.01789 0.00124 0.55014 -0.17419 -0.66 0 -3.53551\r\n< SER_194 -3.39032 0.49672 2.29927 0.00144 -0.60067 0 -0.54194 0 0 0 -0.87144 0 0 0 0 0 0 0 0 0.18011 0.31468 0.17518 0.41627 0 0 -1.5207\r\n< ILE_195 -4.30856 0.44042 0.9662 0.02518 -0.21545 0 0 0 0 0 0 0 0 0 0 0 0.00074 0 0 -0.2194 0.06752 0.2957 -0.46702 -0.73 0 -4.14467\r\n< HIS_D_196 -7.47997 1.25888 3.78998 0.00201 -0.89419 0 -1.06332 0 0 0 -0.69014 0 0 0 0 0 0.00346 0 0 0.02074 2.49719 1.40718 -0.25839 1.17 0 -0.23656\r\n< SER_197 -3.70155 0.53351 2.12432 0.00137 -0.02495 0 -0.22165 0 0 0 0 0 0 0 0 0 0.00796 0 0 -0.07765 0.28565 0.18935 -0.25194 0 0 -1.1356\r\n< TYR_198 -8.03495 1.73639 4.11346 0.02855 -0.09711 0 0 0 0 0 0 0 0 0 0 0 0.10439 0 0 0.05733 0.40763 1.30095 -0.22925 0.81 0 0.19739\r\n< SER_199 -3.72319 1.27481 2.10729 0.0014 -0.08603 0 -0.1203 0 0 0 0 0 0 0 0 0 0.27034 0 0 0.71158 0.00988 0.72067 -0.56438 0 0 0.60208\r\n< GLN_200 -6.65788 1.25506 2.92154 0.01514 -0.26892 0 -0.48472 0 0 -0.0892 0 0 0 0 0 0 0.04591 0 0 0.35006 0.1579 2.35723 -0.52229 -0.29 0 -1.21015\r\n< LEU_201 -5.77336 1.15485 1.62354 0.00664 -0.15096 0 0 0 0 0 0 0 0 0 0 0 0.05822 0 0 0.03828 0.90721 0.28475 0.25382 -0.66 0 -2.25702\r\n< LEU_202 -4.73914 0.36729 1.09091 0.00985 -0.24305 0 0 0 0 0 0 0 0 0 0 0 0.02249 0 0 0.04808 0.49399 0.65933 -0.18453 -0.66 0 -3.13478\r\n< LEU_203 -5.03154 0.63031 1.33425 0.00687 -0.23372 0 0 0 0 0 0 0 0 0 0 0 0.00028 0 0 -0.14226 0.44083 0.73853 -0.22501 -0.66 0 -3.14146\r\n< TYR_204 -7.26682 0.7596 2.70654 0.02525 -0.54227 0.01358 0 0 0 0 -1.25508 0 0 0 0 0 0 0 0 0.03313 0.04057 1.51977 -0.24669 0.81 0 -3.40243\r\n< PRO_205 -4.48672 1.46109 0.95118 0.00571 -0.06627 0.01476 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.20967 0.09868 0.13247 -1.08093 -0.33 0 -3.5097\r\n< TYR_206 -6.85738 0.73325 2.59687 0.02245 -0.28488 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05739 0.0934 1.09659 -0.4099 0.81 0 -2.25699\r\n< GLY_207 -3.20579 0.33817 1.53061 2e-05 -0.3254 0 0 0 0 -0.71028 0 0 0 0 0 0 0 0 0 0.31818 0.22938 0 0.77108 -0.55 0 -1.60403\r\n< TYR_208 -5.7529 0.29675 2.13865 0.02948 0.01957 0 0 0 0 0 -0.47928 0 0 0 0 0 0 0 0 -0.15684 0.00661 1.70121 -0.12544 0.81 0 -1.51221\r\n< THR_209 -3.49591 0.2937 1.3712 0.00953 -0.04055 0 -0.03963 0 0 -0.3888 0 0 0 0 0 0 0 0 0 -0.05702 0.11198 0.27514 -0.17648 -0.57 0 -2.70684\r\n< THR_210 -1.23875 0.1664 0.50749 0.00525 -0.11368 0 -0.08586 0 0 0 0 0 0 0 0 0 0 0 0 -0.19746 0.10761 0.01505 -0.08495 -0.57 0 -1.4889\r\n---\r\n> PHE_192 -6.41588 0.26411 1.94144 0.02566 -0.20295 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.10529 0.0209 1.48195 -0.1818 1.88 0 -1.08129\r\n> LEU_193 -4.73395 0.45854 1.31323 0.00816 -0.19929 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.01789 0.00124 0.55014 -0.17419 -0.66 0 -3.45401\r\n> SER_194 -3.60909 0.31817 2.50427 0.0013 -0.57651 0 -0.63733 0 0 0 -0.88319 0 0 0 0 0 0 0 0 0.19273 0.41537 0.18815 0.4274 0 0 -1.65873\r\n> ILE_195 -4.28597 0.27141 1.07268 0.02226 -0.23347 0 0 0 0 0 0 0 0 0 0 0 0.02563 0 0 -0.25501 0.1239 0.15742 -0.56619 -0.73 0 -4.39735\r\n> HIS_D_196 -6.45383 0.6523 3.57442 0.00254 -0.70771 0 -1.42266 0 0 0 -0.67992 0 0 0 0 0 0.06517 0 0 0.04876 0.84464 1.55276 -0.26304 1.17 0 -1.61656\r\n> SER_197 -3.53177 0.52378 1.93629 0.00323 -0.13322 0 -0.21995 0 0 -0.46945 0 0 0 0 0 0 0.03151 0 0 -0.10568 0.08432 0.17951 -0.38843 0 0 -2.08985\r\n> TYR_198 -7.1587 1.04788 3.31714 0.0369 0.04501 0 0 0 0 0 0 0 0 0 0 0 0.03977 0 0 0.13072 0.20114 1.29427 -0.08904 0.81 0 -0.32491\r\n> SER_199 -3.62547 0.78544 1.85363 0.00374 0.19176 0 0.02212 0 0 0 0 0 0 0 0 0 0.03833 0 0 0.82648 0.00631 0.76075 0.69369 0 0 1.5568\r\n> GLN_200 -6.58253 0.8223 2.91171 0.00731 -0.19602 0 -0.49988 0 0 -0.29435 0 0 0 0 0 0 0.06148 0 0 0.16386 0.06676 2.33633 0.57172 -0.29 0 -0.92131\r\n> LEU_201 -6.08842 1.12526 1.8856 0.00715 -0.15415 0 0 0 0 0 0 0 0 0 0 0 0.06267 0 0 0.02275 0.71129 0.51334 0.06144 -0.66 0 -2.51306\r\n> LEU_202 -4.98451 0.59005 1.12346 0.00985 -0.2245 0 0 0 0 0 0 0 0 0 0 0 0.10084 0 0 -0.0027 0.49399 0.69818 -0.20096 -0.66 0 -3.0563\r\n> LEU_203 -6.02164 1.80244 1.9284 0.01101 -0.29871 0 0 0 0 0 0 0 0 0 0 0 0.00839 0 0 -0.1325 0.27521 2.37609 -0.20491 -0.66 0 -0.91623\r\n> TYR_204 -7.31915 0.76144 2.73428 0.02525 -0.55078 0.01358 0 0 0 0 -1.2386 0 0 0 0 0 0 0 0 0.03313 0.04057 1.51977 -0.24669 0.81 0 -3.41721\r\n> PRO_205 -4.49151 1.46109 0.95064 0.00571 -0.06549 0.01476 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.20967 0.09868 0.13247 -1.08093 -0.33 0 -3.51424\r\n> TYR_206 -6.86042 0.73123 2.59646 0.02245 -0.28512 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05739 0.0934 1.09659 -0.4099 0.81 0 -2.26269\r\n> GLY_207 -3.18119 0.31399 1.50976 2e-05 -0.32174 0 0 0 0 -0.71028 0 0 0 0 0 0 0 0 0 0.31818 0.22938 0 0.77108 -0.55 0 -1.6208\r\n> TYR_208 -5.64849 0.25245 2.09873 0.02948 0.02189 0 0 0 0 0 -0.47928 0 0 0 0 0 0 0 0 -0.15684 0.00661 1.70121 -0.12544 0.81 0 -1.48969\r\n> THR_209 -3.47093 0.2937 1.35133 0.00953 -0.05559 0 -0.04066 0 0 -0.3888 0 0 0 0 0 0 0 0 0 -0.05702 0.11198 0.27514 -0.17648 -0.57 0 -2.7178\r\n> THR_210 -1.23477 0.1664 0.50365 0.00525 -0.11197 0 -0.08138 0 0 0 0 0 0 0 0 0 0 0 0 -0.19746 0.10761 0.01505 -0.08495 -0.57 0 -1.48257\r\n5253c5253\r\n< LYS_216 -3.75836 0.52916 2.04717 0.00634 -0.17376 0 0.01799 0 0 0 -0.65356 0 0 0 0 0 0 0 0 -0.17623 0.02553 1.28252 -0.07738 -0.42 0 -1.35058\r\n---\r\n> LYS_216 -3.75836 0.52916 2.04717 0.00634 -0.17376 0 0.01955 0 0 0 -0.65356 0 0 0 0 0 0 0 0 -0.17623 0.02553 1.28252 -0.07738 -0.42 0 -1.34902\r\n5256,5261c5256,5261\r\n< LEU_219 -5.57631 0.29256 1.37073 0.00692 -0.19757 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14785 0.04406 2.35993 -0.1744 -0.66 0 -2.68192\r\n< ASN_220 -4.26445 0.20551 2.26996 0.00572 -0.35328 0 -0.11968 0 0 0 -0.60152 0 0 0 0 0 0 0 0 -0.00764 0.11077 2.10562 0.18294 -0.76 0 -1.22606\r\n< GLN_221 -3.40251 0.23711 1.68489 0.00515 -0.06479 0 -0.01915 0 0 0 0 0 0 0 0 0 0 0 0 -0.17056 0.38008 1.40654 -0.20973 -0.29 0 -0.44298\r\n< VAL_222 -4.78413 0.44003 1.7814 0.01379 -0.19385 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00591 0.05225 0.06081 0.00962 -0.57 0 -3.19601\r\n< ALA_223 -4.51989 0.36591 1.44715 0.00085 -0.16643 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16234 0.06163 0 -0.27383 0.05 0 -3.19696\r\n< LYS_224 -3.80944 0.27837 1.76186 0.00598 -0.08888 0 -0.04022 0 0 0 0 0 0 0 0 0 0 0 0 -0.08735 0.03462 0.57345 -0.06409 -0.42 0 -1.85568\r\n---\r\n> LEU_219 -5.57651 0.29256 1.3709 0.00692 -0.19776 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14785 0.04406 2.35993 -0.1744 -0.66 0 -2.68213\r\n> ASN_220 -4.31138 0.22395 2.30348 0.00572 -0.34396 0 -0.11968 0 0 0 -0.58504 0 0 0 0 0 0 0 0 -0.00764 0.11077 2.10562 0.18294 -0.76 0 -1.19523\r\n> GLN_221 -3.40331 0.23711 1.68534 0.00515 -0.06631 0 -0.01915 0 0 0 0 0 0 0 0 0 0 0 0 -0.17056 0.38008 1.40654 -0.20973 -0.29 0 -0.44484\r\n> VAL_222 -4.78683 0.44003 1.78204 0.01379 -0.19366 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00591 0.05225 0.06081 0.00962 -0.57 0 -3.19786\r\n> ALA_223 -4.53232 0.38599 1.44573 0.00085 -0.16747 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16234 0.06163 0 -0.27383 0.05 0 -3.19177\r\n> LYS_224 -3.81005 0.27857 1.75726 0.00598 -0.09875 0 -0.04022 0 0 0 0 0 0 0 0 0 0 0 0 -0.08735 0.03462 0.57345 -0.06409 -0.42 0 -1.87056\r\n5263,5264c5263,5264\r\n< ALA_226 -3.89832 0.19544 1.52399 0.00076 -0.25793 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 0.00064 0 -0.13696 0.05 0 -2.69768\r\n< VAL_227 -4.04678 0.28912 1.32694 0.02108 -0.15014 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.10053 0.22062 0.72072 0.09984 -0.57 0 -2.18912\r\n---\r\n> ALA_226 -3.91472 0.20313 1.52203 0.00076 -0.25971 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 0.00064 0 -0.13696 0.05 0 -2.71013\r\n> VAL_227 -4.07322 0.40272 1.32399 0.02108 -0.15061 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.10053 0.22062 0.72072 0.09984 -0.57 0 -2.10538\r\n5267,5268c5267,5268\r\n< LEU_230 -5.51807 0.47186 1.90266 0.02095 -0.07225 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06842 0.00217 1.49463 -0.18227 -0.66 0 -2.60876\r\n< LYS_231 -4.01691 0.45256 1.84614 0.0092 -0.16154 0 -0.27507 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 0.00404 1.32129 -0.05641 -0.42 0 -1.56181\r\n---\r\n> LEU_230 -5.64452 0.59883 1.94288 0.02095 -0.07382 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06842 0.00217 1.49463 -0.18227 -0.66 0 -2.56958\r\n> LYS_231 -4.01691 0.45256 1.84614 0.0092 -0.16183 0 -0.27507 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 0.00404 1.32129 -0.05641 -0.42 0 -1.5621\r\n5271c5271\r\n< TYR_234 -3.77722 0.40209 1.43633 0.02483 -0.11407 0 0 0 0 0 -0.20057 0 0 0 0 0 0 0 0 0.09901 0.00892 1.18287 -0.0433 0.81 0 -0.17109\r\n---\r\n> TYR_234 -3.60208 0.40209 1.28132 0.02483 -0.13491 0 0 0 0 0 -0.2099 0 0 0 0 0 0 0 0 0.09901 0.00892 1.18287 -0.0433 0.81 0 -0.18113\r\n5273,5295c5273,5295\r\n< THR_236 -3.70479 0.90969 2.4131 0.00769 -0.10119 0 0.0349 0 0 0 -0.74288 0 0 0 0 0 0 0 0 -0.13842 2e-05 0.04431 0.09912 -0.57 0 -1.74847\r\n< SER_237 -1.89268 0.27025 1.08238 0.00455 -0.2884 0 -0.39548 0 0 -0.0892 0 0 0 0 0 0 0 0 0 -0.00389 0.00423 0.22995 0.22554 0 0 -0.85276\r\n< TYR_238 -6.58128 1.87067 2.02961 0.02486 -0.15872 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.15948 0.16855 2.76226 -0.37 0.81 0 0.39648\r\n< LYS_239 -2.35467 0.34577 0.9596 0.00318 -0.22552 0 0.00812 0 0 0 0 0 0 0 0 0 0 0 0 -0.1082 0.05838 0.5163 -0.04233 -0.42 0 -1.25937\r\n< TYR_240 -4.74156 0.37599 1.45826 0.02872 -0.05818 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14696 0.01536 0.97571 -0.44309 0.81 0 -1.72574\r\n< GLY_241 -2.83284 0.33119 1.54492 0.00107 -0.08965 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.15761 0.00028 0 -1.23741 -0.55 0 -2.67482\r\n< SER_242 -4.4258 0.58446 2.96058 0.00312 -0.17561 0 -0.06738 0 0 0 0 0 0 0 0 0 0 0 0 -0.30631 0.00347 0.64171 -0.19373 0 0 -0.9755\r\n< ILE_243 -4.91401 0.52031 2.02381 0.02159 -0.32083 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.38602 0.61544 0.10543 0.15065 -0.73 0 -2.14158\r\n< ILE_244 -4.72782 0.68337 1.61845 0.01799 0.02901 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 0.00113 0.80146 0.15012 -0.73 0 -2.2386\r\n< THR_245 -2.18787 0.53604 1.51422 0.00445 -0.02403 0 -0.04434 0 0 0 -0.00711 0 0 0 0 0 0 0 0 -0.11654 0.28741 0.09995 0.02391 -0.57 0 -0.4839\r\n< THR_246 -3.13239 0.22113 1.68712 0.01147 -0.11741 0 -0.02644 0 0 0 -0.00711 0 0 0 0 0 0 0 0 0.03965 0.78595 0.67363 -0.30304 -0.57 0 -0.73744\r\n< ILE_247 -4.47649 1.42217 0.80351 0.02076 -0.14055 0 0 0 0 0 0 0 0 0 0 0 0.20095 0 0 0.47186 1.11284 0.69207 0.38831 -0.73 0 -0.23456\r\n< TYR_248 -4.06153 0.80479 1.81735 0.05101 -0.21142 0 0 0 0 0 -0.37574 0 0 0 0 0 0.22413 0 0 0.24395 0.21325 2.44398 -0.30824 0.81 0 1.65154\r\n< GLN_249 -3.59387 0.54766 1.57804 0.00413 -0.11606 0 -0.01879 0 0 0 0 0 0 0 0 0 0.01258 0 0 -0.2249 0.0035 1.77204 0.18681 -0.29 0 -0.13886\r\n< ALA_250 -3.01216 0.23721 1.44558 0.00095 -0.10224 0 0 0 0 0 0 0 0 0 0 0 0.00035 0 0 0.3451 0.01013 0 0.05419 0.05 0 -0.9709\r\n< SER_251 -3.70564 0.51735 2.28796 0.00129 -0.26423 0 -0.08148 0 0 -0.38793 0 0 0 0 0 0 0 0 0 -0.02428 0 0.34887 -0.16392 0 0 -1.47203\r\n< GLY_252 -3.1437 0.22953 1.59379 2e-05 -0.2373 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.35222 0.03515 0 -1.05152 -0.55 0 -3.47625\r\n< GLY_253 -2.64383 0.17817 1.5063 3e-05 -0.07162 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00087 0.16855 0 0.48589 -0.55 0 -0.92564\r\n< SER_254 -4.29732 0.48178 2.31248 0.00146 -0.26665 0 -0.59455 0 0 -0.52562 0 0 0 0 0 0 0 0 0 -0.19621 0.00276 0.32567 0.08257 0 0 -2.67364\r\n< ILE_255 -5.83479 0.89461 2.54564 0.04876 -0.35524 0 0 0 0 -0.75372 0 0 0 0 0 0 0 0 0 -0.08961 0.05444 2.61879 0.16186 -0.73 0 -1.43925\r\n< ASP_256 -5.79146 0.42426 3.49989 0.00385 -0.71922 0 -0.1507 0 0 -0.71028 0 0 0 0 0 0 0 0 0 -0.13946 0.11829 0.99091 0.01737 -0.65 0 -3.10656\r\n< TRP_257 -8.1748 0.61094 2.37928 0.026 -0.07095 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01017 0.049 0.92744 -0.05016 2.88 0 -1.41308\r\n< SER_258 -5.27408 0.46013 2.77338 0.00114 -0.34037 0 -0.19395 0 0 0 -0.89244 0 0 0 0 0 0 0 0 -0.11782 0.0061 0.71613 0.1671 0 0 -2.69469\r\n---\r\n> THR_236 -3.34106 0.2484 1.97027 0.00769 -0.24117 0 -0.08974 0 0 0 -0.74288 0 0 0 0 0 0 0 0 -0.13842 2e-05 0.04431 0.09912 -0.57 0 -2.75347\r\n> SER_237 -1.81306 0.11049 1.03329 0.00455 -0.29291 0 -0.39372 0 0 -0.29435 0 0 0 0 0 0 0 0 0 -0.00389 0.00423 0.22995 0.22554 0 0 -1.18989\r\n> TYR_238 -6.24047 0.89177 1.7814 0.02522 -0.10728 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.15948 0.16855 3.06051 -0.37 0.81 0 -0.13978\r\n> LYS_239 -2.37534 0.39358 0.96374 0.00328 -0.21817 0 0.00815 0 0 0 0 0 0 0 0 0 0 0 0 -0.1082 0.05838 0.51896 -0.04233 -0.42 0 -1.21795\r\n> TYR_240 -4.77071 0.41275 1.47049 0.0286 -0.06615 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14696 0.01536 0.91277 -0.44309 0.81 0 -1.77694\r\n> GLY_241 -2.92565 0.32731 1.58972 0.00107 -0.07725 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.15761 0.00028 0 -1.23741 -0.55 0 -2.71432\r\n> SER_242 -4.51293 0.58274 2.99156 0.00312 -0.19799 0 -0.0662 0 0 0 0 0 0 0 0 0 0 0 0 -0.30631 0.00347 0.64171 -0.19373 0 0 -1.05456\r\n> ILE_243 -5.39938 0.73881 2.07099 0.02169 -0.30028 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.38602 0.61544 0.20795 0.15065 -0.73 0 -2.2381\r\n> ILE_244 -4.77598 0.6595 1.6323 0.01799 0.03442 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 0.00113 0.80146 0.15012 -0.73 0 -2.29136\r\n> THR_245 -2.19206 0.53662 1.52125 0.00445 -0.01609 0 -0.04434 0 0 0 0 0 0 0 0 0 0 0 0 -0.11654 0.28741 0.09995 0.02391 -0.57 0 -0.46543\r\n> THR_246 -3.24936 0.28572 1.70093 0.00895 -0.12407 0 -0.02369 0 0 0 0 0 0 0 0 0 0 0 0 0.16475 1.91723 0.39764 -0.30358 -0.57 0 0.20452\r\n> ILE_247 -4.35855 0.85142 0.93783 0.01658 -0.09943 0 0 0 0 0 0 0 0 0 0 0 0.01328 0 0 0.32159 0.00292 0.24225 -0.44297 -0.73 0 -3.24509\r\n> TYR_248 -4.91165 0.57904 2.17752 0.04174 -0.12316 0 0 0 0 0 -0.63323 0 0 0 0 0 0.08657 0 0 0.11828 0.00013 3.09302 -0.40039 0.81 0 0.83787\r\n> GLN_249 -4.10746 0.43019 1.77028 0.00413 -0.08477 0 -0.01518 0 0 0 0 0 0 0 0 0 0.01471 0 0 -0.2249 0.0035 1.77204 0.18681 -0.29 0 -0.54066\r\n> ALA_250 -3.21472 0.17479 1.44854 0.00135 -0.10243 0 0 0 0 0 0 0 0 0 0 0 0.00055 0 0 0.35514 0.00671 0 0.00055 0.05 0 -1.27951\r\n> SER_251 -3.64711 0.42697 2.25609 0.00129 -0.25967 0 -0.07654 0 0 -0.39809 0 0 0 0 0 0 0.01769 0 0 -0.02428 0 0.34887 -0.16392 0 0 -1.51872\r\n> GLY_252 -3.11382 0.24678 1.57639 2e-05 -0.22717 0 0 0 0 0 0 0 0 0 0 0 0.0197 0 0 -0.35222 0.03515 0 -1.05152 -0.55 0 -3.41669\r\n> GLY_253 -2.64587 0.17904 1.52111 3e-05 -0.0706 0 0 0 0 0 0 0 0 0 0 0 0.00189 0 0 0.00132 0.12526 0 0.49639 -0.55 0 -0.94145\r\n> SER_254 -4.32956 0.48141 2.32851 0.00146 -0.27457 0 -0.47943 0 0 -0.54903 0 0 0 0 0 0 0 0 0 -0.19621 0.00276 0.32567 0.08257 0 0 -2.60642\r\n> ILE_255 -5.77876 0.79415 2.25842 0.04876 -0.35133 0 0 0 0 -0.75685 0 0 0 0 0 0 0 0 0 -0.08961 0.05444 2.61879 0.16186 -0.73 0 -1.77013\r\n> ASP_256 -5.79459 0.42426 3.49976 0.00385 -0.71775 0 -0.14611 0 0 -0.71028 0 0 0 0 0 0 0 0 0 -0.13946 0.11829 0.99091 0.01737 -0.65 0 -3.10374\r\n> TRP_257 -8.17494 0.61094 2.37947 0.026 -0.0709 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01017 0.049 0.92744 -0.05016 2.88 0 -1.41297\r\n> SER_258 -5.27407 0.46013 2.77336 0.00114 -0.34031 0 -0.18613 0 0 0 -0.89244 0 0 0 0 0 0 0 0 -0.11782 0.0061 0.71613 0.1671 0 0 -2.68682\r\n5303,5330c5303,5330\r\n< SER_266 -4.20427 0.20736 2.29596 0.00095 -0.32118 0 -0.0617 0 0 0 -0.89244 0 0 0 0 0 0 0 0 0.15005 0.14242 0.45082 0.40711 0 0 -1.82492\r\n< PHE_267 -6.81837 0.39867 1.32263 0.02387 -0.19955 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.07372 0.38977 1.03859 -0.0324 1.88 0 -2.07052\r\n< THR_268 -4.10495 0.70637 2.14497 0.01217 -0.26935 0 -0.32271 0 0 0 0 0 0 0 0 0 0 0 0 -0.01876 0.02044 0.45185 -0.14424 -0.57 0 -2.09421\r\n< PHE_269 -5.48611 0.38204 1.19661 0.02338 -0.24326 0 0 0 0 0 0 0 0 0 0 0 0.10037 0 0 -0.16501 0.09197 1.10831 -0.16233 1.88 0 -1.27403\r\n< GLU_270 -6.76927 0.75785 3.79076 0.00614 -0.21156 0 -0.41546 0 0 0 0 0 0 0 0 0 0.09141 0 0 0.12747 0.08868 1.92382 0.19368 -0.27 0 -0.68647\r\n< LEU_271 -5.14238 0.49977 1.74962 0.00813 -0.13522 0 0 0 0 0 0 0 0 0 0 0 0.03553 0 0 0.47621 0.03276 0.20685 1.31922 -0.66 0 -1.60951\r\n< ARG_272 -4.93349 0.94448 3.30603 0.00812 -0.59276 0 -0.46243 0 0 0 -1.32392 0 0 0 0 0 0.07817 0 0 -0.01925 0.29637 1.42584 0.07194 -0.77 0 -1.9709\r\n< ASP_273 -5.78017 0.81784 3.65925 0.01296 -0.87607 0 -0.17377 0 0 -1.44123 0 0 0 0 0 0 0.04796 0 0 0.53247 0.01674 1.20184 -0.16281 -0.65 0 -2.795\r\n< THR_274 -2.25457 0.20229 1.08905 0.00386 0.12877 0 -0.22425 0 0 0 0 0 0 0 0 0 0.02127 0 0 -0.11837 9e-05 0.00293 -0.07938 -0.57 0 -1.7983\r\n< GLY_275 -2.35136 0.40655 1.16526 4e-05 -0.13396 0 0 0 0 -0.30919 0 0 0 0 0 0 0.02097 0 0 0.04073 0.09989 0 -1.28739 -0.55 0 -2.89847\r\n< ARG_276 -2.8173 0.07541 1.47683 0.01062 0.00078 0 -0.00808 0 0 0 0 0 0 0 0 0 0.0087 0 0 -0.09391 0.16111 1.17568 -0.05446 -0.77 0 -0.83461\r\n< TYR_277 -5.17788 0.22483 1.99377 0.02338 -0.32568 0 0 0 0 -0.62535 0 0 0 0 0 0 0.01125 0 0 0.03648 0.12844 1.04812 -0.24075 0.81 0 -2.09339\r\n< GLY_278 -2.75408 0.46118 1.22709 0 -0.0297 0 0 0 0 -0.50669 0 0 0 0 0 0 0.00139 0 0 0.01948 0.02575 0 -1.21839 -0.55 0 -3.32397\r\n< PHE_279 -5.46268 0.30612 1.72402 0.02353 -0.03754 0 0 0 0 0 0 0 0 0 0 0 0.00886 0 0 -0.11844 0.00863 1.43451 0.10986 1.88 0 -0.12314\r\n< LEU_280 -2.07205 0.15666 0.75511 0.00934 0.01404 0 0 0 0 0 0 0 0 0 0 0 0.00329 0 0 0.3766 0.0005 0.06191 0.09047 -0.66 0 -1.26412\r\n< LEU_281 -3.78856 0.37672 1.1443 0.00777 -0.07639 0.16215 0 0 0 -0.35753 0 0 0 0 0 0 0 0 0 -0.21045 0 0.38848 0.13169 -0.66 0 -2.8818\r\n< PRO_282 -3.53385 0.51293 1.06369 0.00591 -0.05332 0.28333 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.29751 0.0025 0.09262 -1.0782 -0.33 0 -3.33191\r\n< ALA_283 -2.56728 0.59246 0.97882 0.00079 -0.01164 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27651 0.10823 0 -0.21454 0.05 0 -1.33966\r\n< SER_284 -1.8473 0.21375 1.18484 0.00166 -0.00581 0 -0.20892 0 0 0 -0.40479 0 0 0 0 0 0 0 0 -0.08582 0.05941 0.08627 -0.1286 0 0 -1.13532\r\n< GLN_285 -4.17301 0.64195 2.04475 0.00591 -0.47484 0 -0.33992 0 0 0 -0.40479 0 0 0 0 0 0 0 0 -0.19007 0.04457 1.75672 -0.06238 -0.29 0 -1.44112\r\n< ILE_286 -5.35542 0.44144 1.4438 0.02202 -0.10904 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.07066 0.03476 0.0684 -0.27914 -0.73 0 -4.39252\r\n< ILE_287 -3.57425 0.31664 1.31516 0.02531 -0.13962 1.78014 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06322 0.07539 0.11424 -0.04829 -0.73 0 -0.9285\r\n< PRO_288 -4.0923 0.1939 1.4828 0.00579 -0.09113 2.43881 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 0.00355 0.17035 0.33611 -0.33 0 0.0774\r\n< THR_289 -4.67669 0.28352 2.78356 0.00954 -0.50254 0 -0.06834 0 0 0 0 0 0 0 0 0 0 0 0 0.00753 0.01849 0.01212 0.11372 -0.57 0 -2.58909\r\n< ALA_290 -4.22895 0.24626 1.44941 0.00098 -0.17622 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.13207 0.00131 0 -0.25714 0.05 0 -3.04642\r\n< GLN_291 -4.77186 0.27153 2.04566 0.00491 -0.28728 0 -0.08897 0 0 0 -0.20057 0 0 0 0 0 0 0 0 -0.11286 0.00937 1.66621 -0.13447 -0.29 0 -1.88832\r\n< GLU_292 -6.62164 0.46765 4.02122 0.01134 -1.15603 0 -0.64079 0 0 0 -2.06679 0 0 0 0 0 0 0 0 -0.20331 0.00785 2.71783 -0.24596 -0.27 0 -3.97862\r\n< THR_293 -4.48038 0.52924 2.06858 0.00806 -0.38202 0 -0.17171 0 0 0 0 0 0 0 0 0 0 0 0 -0.09365 0.0662 0.1625 0.20434 -0.57 0 -2.65886\r\n---\r\n> SER_266 -4.20432 0.20736 2.29599 0.00095 -0.32173 0 -0.0617 0 0 0 -0.89244 0 0 0 0 0 0 0 0 0.15005 0.14242 0.45082 0.40711 0 0 -1.82549\r\n> PHE_267 -6.81724 0.40761 1.25046 0.02387 -0.23842 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.07372 0.38977 1.03859 -0.0324 1.88 0 -2.1715\r\n> THR_268 -4.3975 1.05305 2.59069 0.01245 -0.5444 0 -0.41052 0 0 0 -1.20853 0 0 0 0 0 0 0 0 -0.02719 0.07777 1.94672 -0.18844 -0.57 0 -1.66589\r\n> PHE_269 -5.62848 0.3235 1.53534 0.02356 -0.28117 0 0 0 0 0 0 0 0 0 0 0 0.01209 0 0 -0.16271 0.27686 1.13695 -0.18941 1.88 0 -1.07347\r\n> GLU_270 -6.71049 0.59366 3.94223 0.00682 -0.39702 0 -0.24174 0 0 0 -0.52861 0 0 0 0 0 0.01344 0 0 0.10035 0.13082 3.54786 0.18857 -0.27 0 0.37588\r\n> LEU_271 -5.08276 0.42537 1.71286 0.00813 -0.16488 0 0 0 0 0 0 0 0 0 0 0 0.02182 0 0 0.47621 0.03276 0.20685 1.31922 -0.66 0 -1.70444\r\n> ARG_272 -4.42925 0.81369 2.75109 0.01008 -0.40901 0 -0.48085 0 0 0 -0.70791 0 0 0 0 0 0.02437 0 0 -0.12548 0.00151 1.43015 0.1824 -0.77 0 -1.70921\r\n> ASP_273 -5.85727 0.7812 3.807 0.00472 -0.94637 0 -0.39826 0 0 -1.43836 0 0 0 0 0 0 0.02176 0 0 0.59543 0.05173 1.23812 0.39259 -0.65 0 -2.39771\r\n> THR_274 -2.41804 0.1571 1.10595 0.00415 0.16675 0 -0.21465 0 0 0 0 0 0 0 0 0 0.01567 0 0 0.09521 0.12771 0.00771 -0.08893 -0.57 0 -1.61138\r\n> GLY_275 -2.45779 0.30455 1.14319 3e-05 -0.12692 0 0 0 0 -0.28261 0 0 0 0 0 0 0.00717 0 0 -0.15919 0.03359 0 -1.25453 -0.55 0 -3.34251\r\n> ARG_276 -2.84409 0.1489 1.44038 0.01365 -0.02031 0 -0.28568 0 0 0 0 0 0 0 0 0 0.01234 0 0 -0.18169 0.09932 1.39753 -0.12687 -0.77 0 -1.11652\r\n> TYR_277 -5.09555 0.32839 1.88145 0.02302 -0.25207 0 0 0 0 -0.51311 0 0 0 0 0 0 0.00402 0 0 0.07218 0.27595 0.98126 -0.19587 0.81 0 -1.68034\r\n> GLY_278 -2.71233 0.27632 1.19382 1e-05 -0.03516 0 0 0 0 -0.64264 0 0 0 0 0 0 0.00472 0 0 0.02267 0.03506 0 -1.23411 -0.55 0 -3.64164\r\n> PHE_279 -5.19736 0.36944 1.70739 0.02601 -0.02884 0 0 0 0 0 0 0 0 0 0 0 0.00548 0 0 -0.11904 0.00988 1.5455 0.1075 1.88 0 0.30597\r\n> LEU_280 -2.12189 0.14843 0.76673 0.00934 0.0109 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.38831 0.0002 0.06133 0.07542 -0.66 0 -1.32122\r\n> LEU_281 -3.81598 0.38515 1.27256 0.00777 -0.08356 0.16215 0 0 0 -0.35753 0 0 0 0 0 0 0 0 0 -0.2206 0 0.39274 0.11248 -0.66 0 -2.80481\r\n> PRO_282 -3.48652 0.52133 1.05559 0.00591 -0.05272 0.28333 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.29751 0.0025 0.09262 -1.0782 -0.33 0 -3.28367\r\n> ALA_283 -2.56728 0.59246 0.97882 0.00079 -0.01163 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27651 0.10823 0 -0.21454 0.05 0 -1.33965\r\n> SER_284 -1.8473 0.21375 1.18484 0.00166 -0.00697 0 -0.20892 0 0 0 -0.40479 0 0 0 0 0 0 0 0 -0.08582 0.05941 0.08627 -0.1286 0 0 -1.13647\r\n> GLN_285 -4.78941 0.70268 2.59281 0.00591 -0.70345 0 -0.33021 0 0 0 -1.11271 0 0 0 0 0 0 0 0 -0.19007 0.04457 1.75672 -0.06238 -0.29 0 -2.37554\r\n> ILE_286 -5.35037 0.43136 1.44371 0.02202 -0.10912 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.07066 0.03476 0.0684 -0.27914 -0.73 0 -4.39772\r\n> ILE_287 -3.57404 0.31664 1.31501 0.02531 -0.1395 1.78014 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06322 0.07539 0.11424 -0.04829 -0.73 0 -0.92832\r\n> PRO_288 -3.97452 0.1939 1.39301 0.00579 -0.06645 2.43881 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 0.00355 0.17035 0.33611 -0.33 0 0.13006\r\n> THR_289 -4.51332 0.28308 2.65543 0.00954 -0.50569 0 -0.07272 0 0 0 0 0 0 0 0 0 0 0 0 0.00753 0.01849 0.01212 0.11372 -0.57 0 -2.56182\r\n> ALA_290 -4.22848 0.24626 1.44907 0.00098 -0.17608 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.13207 0.00131 0 -0.25714 0.05 0 -3.04615\r\n> GLN_291 -4.77186 0.27153 2.04566 0.00491 -0.28728 0 -0.08897 0 0 0 -0.2099 0 0 0 0 0 0 0 0 -0.11286 0.00937 1.66621 -0.13447 -0.29 0 -1.89765\r\n> GLU_292 -6.06415 0.4228 3.50939 0.01134 -0.55459 0 -0.41075 0 0 0 -0.74288 0 0 0 0 0 0 0 0 -0.20331 0.00785 2.71783 -0.24596 -0.27 0 -1.82241\r\n> THR_293 -4.4701 0.52069 2.10399 0.00806 -0.39257 0 -0.17487 0 0 0 0 0 0 0 0 0 0 0 0 -0.09365 0.0662 0.1625 0.20434 -0.57 0 -2.63542\r\n5333,5334c5333,5334\r\n< GLY_296 -3.16674 0.15556 1.50096 3e-05 -0.04109 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.18764 0.04073 0 0.4327 -0.55 0 -1.44021\r\n< VAL_297 -4.93301 0.55652 1.40775 0.012 -0.17202 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.05957 0.04028 0.0081 -0.0995 -0.57 0 -3.69031\r\n---\r\n> GLY_296 -3.17751 0.15556 1.50177 3e-05 -0.04219 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.18764 0.04073 0 0.4327 -0.55 0 -1.45128\r\n> VAL_297 -4.86536 0.50461 1.41073 0.012 -0.17183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.05957 0.04028 0.0081 -0.0995 -0.57 0 -3.67141\r\n5337c5337\r\n< ILE_300 -5.08635 0.44801 1.35694 0.02049 -0.22342 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.03245 0.00013 0.08674 -0.10436 -0.73 0 -4.26427\r\n---\r\n> ILE_300 -5.09712 0.42548 1.35459 0.02049 -0.22413 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.03245 0.00013 0.08674 -0.10436 -0.73 0 -4.30062\r\n5345,5350c5345,5350\r\n< CP1_308 -9.06925 0.55516 4.91384 0.08518 -0.22524 0 0 0 0 0 -0.37574 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -4.11605\r\n< TP3_309 -0.89908 0.03312 1.25015 0 -0.30591 0 0 0 0 0 -0.55042 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.47214\r\n< TP3_310 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0\r\n< TP3_311 -0.14351 0.00017 0.30968 0 -0.18279 0 0 0 0 0 -0.24529 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.26174\r\n< TP3_312 -0.16146 0.00017 0.32722 0 -0.21925 0 0 0 0 0 -0.24529 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.29861\r\n< TP3_313 -0.72539 0.00031 1.06627 0 -0.17799 0 0 0 0 -0.75372 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.59053\r\n---\r\n> CP1_308 -7.65913 0.39613 3.71307 0.092 -0.12854 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -3.58648\r\n> TP3_309 -0.826 0.11426 1.22984 0 -0.59037 0 0 0 0 0 -0.67438 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.74666\r\n> TP3_310 0 0 0 0 0.00045 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00045\r\n> TP3_311 -0.17306 0.0001 0.34724 0 -0.19398 0 0 0 0 0 -0.19953 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.21924\r\n> TP3_312 -0.08427 0.0001 0.18723 0 -0.22264 0 0 0 0 0 -0.19953 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.31911\r\n> TP3_313 -0.73508 0.00063 1.04388 0 -0.16906 0 0 0 0 -0.75685 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.61647\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/sdf_reader/log /home/benchmark/working_dir/master:61968/sdf_reader/log\r\n140a141,144\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n172a177,180\r\n> protocols.ligand_docking.ligand_options.Protocol: Initializing options: \r\n> protocols.ligand_docking.ligand_options.Protocol: allow_minimization_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: allow_repacking_: 1\r\n> protocols.ligand_docking.ligand_options.Protocol: all_residues_: 1\r\n498,501d505\r\n< core.pack.rotamer_set.RotamerSet_: Using simple Rotamer generation logic for CP1\r\n< core.pack.pack_rotamers: built 4180 rotamers at 45 positions.\r\n< core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\r\n< core.pack.annealer.FixbbSimAnnealer: pack_rotamers run final: GIHSRETLWRKDANRETSHSYSQLLYKYITIYAGTERDTGRYGFZ, best_energy: -129.046\r\n503,504c507\r\n< core.pack.rotamer_set.RotamerSet_: Using simple Rotamer generation logic for CP1\r\n< protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -754.742 -754.742\r\n---\r\n> protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -761.256 -761.256\r\n506,507c509,510\r\n< protocols.ligand_docking.ligand_options.FinalMinimizer: Energy prior to minimizing: -525.116\r\n< protocols.ligand_docking.ligand_options.FinalMinimizer: Energy after minimizing: -739.969\r\n---\r\n> protocols.ligand_docking.ligand_options.FinalMinimizer: Energy prior to minimizing: -661.706\r\n> protocols.ligand_docking.ligand_options.FinalMinimizer: Energy after minimizing: -749.768\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61967/sdf_reader/score.sc /home/benchmark/working_dir/master:61968/sdf_reader/score.sc\r\n3c3\r\n< SCORE: -739.969 0.000 0.000 0.000 3.263 0.000 0.000 0.000 0.000 0.000 -1294.664 252.971 -64.989 3.116 -43.500 141.385 578.844 -34.896 -76.934 -40.912 -134.943 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -18.138 0.000 -0.450 0.000 0.000 1.110 9.828 -0.050 0.000 -0.841 0.000 0.000 0.000 0.000 0.000 0.000 -8.543 4.913 1.000 5.343 10.627 3.507 33.946 -39.501 31.184 -16.829 -37.510 7cpa_input_0001\r\n---\r\n> SCORE: -749.768 0.000 0.000 0.000 2.285 0.000 0.000 0.000 0.000 0.000 -1293.935 258.183 -65.314 3.137 -44.767 136.479 577.440 -36.931 -77.069 -41.853 -135.002 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -15.318 0.000 -0.257 0.000 0.000 0.792 7.426 -0.056 0.000 -0.076 0.000 0.000 0.000 0.000 0.000 0.000 -7.490 5.083 1.000 5.333 10.710 3.692 29.533 -38.324 31.184 -17.304 -37.510 7cpa_input_0001\r\n",
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}