# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_6b6144b7484e6aaf # _entry.id 6b6144b7484e6aaf # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ALA 2 1 n ARG 3 1 n VAL 4 1 n HIS 5 1 n LYS 6 1 n LEU 7 1 n SER 8 1 n ALA 9 1 n LYS 10 1 n GLN 11 1 n LYS 12 1 n LYS 13 1 n ILE 14 1 n ILE 15 1 n LYS 16 1 n ARG 17 1 n MET 18 1 n HIS 19 1 n ASN 20 1 n ARG 21 1 n ILE 22 1 n ASP 23 1 n TYR 24 1 n ILE 25 1 n LEU 26 1 n GLU 27 1 n LYS 28 1 n TYR 29 1 n LYS 30 1 n GLU 31 1 n TYR 32 1 n LEU 33 1 n ASP 34 1 n ALA 35 1 n LEU 36 1 n ALA 37 1 n GLU 38 1 n PHE 39 1 n ASP 40 1 n ARG 41 1 n THR 42 1 n GLY 43 1 n VAL 44 1 n LEU 45 1 n LYS 46 1 n ILE 47 1 n HIS 48 1 n GLY 49 1 n LYS 50 1 n VAL 51 1 n ILE 52 1 n TYR 53 1 n GLU 54 1 n ARG 55 1 n LYS 56 1 n TYR 57 1 n ASN 58 1 n ASP 59 1 n GLN 60 1 n LYS 61 1 n LYS 62 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-05-03 14:45:02)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 85.01 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;NON-COMMERCIAL USE ONLY, BY USING THIS FILE YOU AGREE TO THE TERMS OF USE FOUND AT alphafoldserver.com/output-terms. ; 1 license ? ;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ALA . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n ARG . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n HIS . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n TYR . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n PHE . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n ARG . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n GLY . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n ILE . 47 A 47 A 48 1 n HIS . 48 A 48 A 49 1 n GLY . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n TYR . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n ARG . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n TYR . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n ASP . 59 A 59 A 60 1 n GLN . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n LYS . 62 A 62 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-05-03 14:45:02)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 35.915 10.083 -1.695 1.00 66.51 1 A 1 ATOM 2 C CA . MET A 1 1 ? 34.880 10.419 -2.698 1.00 73.93 1 A 1 ATOM 3 C C . MET A 1 1 ? 34.142 9.145 -3.097 1.00 73.99 1 A 1 ATOM 4 O O . MET A 1 1 ? 34.763 8.255 -3.655 1.00 70.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? 35.495 11.071 -3.948 1.00 68.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? 35.993 12.489 -3.686 1.00 60.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? 36.600 13.297 -5.196 1.00 58.73 1 A 1 ATOM 8 C CE . MET A 1 1 ? 37.095 14.916 -4.543 1.00 48.13 1 A 1 ATOM 9 N N . ALA A 1 2 ? 32.853 9.037 -2.800 1.00 73.40 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 32.045 7.881 -3.196 1.00 77.86 2 A 1 ATOM 11 C C . ALA A 1 2 ? 31.816 7.915 -4.716 1.00 77.86 2 A 1 ATOM 12 O O . ALA A 1 2 ? 31.288 8.891 -5.249 1.00 73.25 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 30.733 7.890 -2.404 1.00 74.80 2 A 1 ATOM 14 N N . ARG A 1 3 ? 32.214 6.856 -5.436 1.00 78.46 3 A 1 ATOM 15 C CA . ARG A 1 3 ? 31.958 6.722 -6.878 1.00 79.54 3 A 1 ATOM 16 C C . ARG A 1 3 ? 30.467 6.443 -7.083 1.00 80.02 3 A 1 ATOM 17 O O . ARG A 1 3 ? 30.027 5.302 -6.934 1.00 77.12 3 A 1 ATOM 18 C CB . ARG A 1 3 ? 32.825 5.614 -7.503 1.00 75.49 3 A 1 ATOM 19 C CG . ARG A 1 3 ? 34.311 5.988 -7.615 1.00 65.13 3 A 1 ATOM 20 C CD . ARG A 1 3 ? 35.085 4.856 -8.317 1.00 63.03 3 A 1 ATOM 21 N NE . ARG A 1 3 ? 36.523 5.147 -8.402 1.00 56.27 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? 37.452 4.347 -8.912 1.00 49.04 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? 37.172 3.181 -9.421 1.00 46.90 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? 38.709 4.711 -8.916 1.00 44.40 3 A 1 ATOM 25 N N . VAL A 1 4 ? 29.684 7.465 -7.436 1.00 77.06 4 A 1 ATOM 26 C CA . VAL A 1 4 ? 28.279 7.313 -7.816 1.00 78.65 4 A 1 ATOM 27 C C . VAL A 1 4 ? 28.222 6.522 -9.124 1.00 79.58 4 A 1 ATOM 28 O O . VAL A 1 4 ? 28.535 7.040 -10.200 1.00 74.64 4 A 1 ATOM 29 C CB . VAL A 1 4 ? 27.572 8.676 -7.941 1.00 75.44 4 A 1 ATOM 30 C CG1 . VAL A 1 4 ? 26.075 8.494 -8.245 1.00 66.99 4 A 1 ATOM 31 C CG2 . VAL A 1 4 ? 27.689 9.488 -6.639 1.00 71.25 4 A 1 ATOM 32 N N . HIS A 1 5 ? 27.874 5.231 -9.060 1.00 87.05 5 A 1 ATOM 33 C CA . HIS A 1 5 ? 27.675 4.399 -10.240 1.00 86.13 5 A 1 ATOM 34 C C . HIS A 1 5 ? 26.445 4.900 -11.002 1.00 87.56 5 A 1 ATOM 35 O O . HIS A 1 5 ? 25.300 4.741 -10.569 1.00 84.52 5 A 1 ATOM 36 C CB . HIS A 1 5 ? 27.567 2.916 -9.851 1.00 80.37 5 A 1 ATOM 37 C CG . HIS A 1 5 ? 28.801 2.133 -10.200 1.00 69.12 5 A 1 ATOM 38 N ND1 . HIS A 1 5 ? 30.049 2.268 -9.629 1.00 62.20 5 A 1 ATOM 39 C CD2 . HIS A 1 5 ? 28.907 1.162 -11.159 1.00 59.19 5 A 1 ATOM 40 C CE1 . HIS A 1 5 ? 30.878 1.401 -10.227 1.00 54.27 5 A 1 ATOM 41 N NE2 . HIS A 1 5 ? 30.222 0.703 -11.166 1.00 56.68 5 A 1 ATOM 42 N N . LYS A 1 6 ? 26.647 5.524 -12.172 1.00 90.82 6 A 1 ATOM 43 C CA . LYS A 1 6 ? 25.572 5.983 -13.053 1.00 91.75 6 A 1 ATOM 44 C C . LYS A 1 6 ? 24.878 4.769 -13.672 1.00 92.78 6 A 1 ATOM 45 O O . LYS A 1 6 ? 25.495 3.979 -14.377 1.00 90.17 6 A 1 ATOM 46 C CB . LYS A 1 6 ? 26.148 6.953 -14.097 1.00 88.06 6 A 1 ATOM 47 C CG . LYS A 1 6 ? 25.072 7.713 -14.887 1.00 74.92 6 A 1 ATOM 48 C CD . LYS A 1 6 ? 25.728 8.765 -15.806 1.00 71.90 6 A 1 ATOM 49 C CE . LYS A 1 6 ? 24.701 9.613 -16.562 1.00 62.95 6 A 1 ATOM 50 N NZ . LYS A 1 6 ? 25.358 10.680 -17.376 1.00 54.37 6 A 1 ATOM 51 N N . LEU A 1 7 ? 23.563 4.632 -13.453 1.00 90.54 7 A 1 ATOM 52 C CA . LEU A 1 7 ? 22.755 3.564 -14.039 1.00 90.75 7 A 1 ATOM 53 C C . LEU A 1 7 ? 22.827 3.586 -15.572 1.00 92.03 7 A 1 ATOM 54 O O . LEU A 1 7 ? 22.649 4.639 -16.197 1.00 90.93 7 A 1 ATOM 55 C CB . LEU A 1 7 ? 21.292 3.693 -13.592 1.00 89.24 7 A 1 ATOM 56 C CG . LEU A 1 7 ? 21.040 3.520 -12.085 1.00 85.51 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? 19.580 3.851 -11.785 1.00 80.14 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? 21.327 2.096 -11.615 1.00 80.32 7 A 1 ATOM 59 N N . SER A 1 8 ? 23.008 2.410 -16.186 1.00 94.20 8 A 1 ATOM 60 C CA . SER A 1 8 ? 22.956 2.236 -17.635 1.00 94.56 8 A 1 ATOM 61 C C . SER A 1 8 ? 21.544 2.498 -18.181 1.00 95.46 8 A 1 ATOM 62 O O . SER A 1 8 ? 20.536 2.396 -17.467 1.00 95.91 8 A 1 ATOM 63 C CB . SER A 1 8 ? 23.430 0.834 -18.028 1.00 94.12 8 A 1 ATOM 64 O OG . SER A 1 8 ? 22.515 -0.146 -17.592 1.00 89.12 8 A 1 ATOM 65 N N . ALA A 1 9 ? 21.409 2.774 -19.484 1.00 96.02 9 A 1 ATOM 66 C CA . ALA A 1 9 ? 20.113 2.964 -20.138 1.00 96.27 9 A 1 ATOM 67 C C . ALA A 1 9 ? 19.188 1.743 -19.980 1.00 96.76 9 A 1 ATOM 68 O O . ALA A 1 9 ? 17.982 1.886 -19.751 1.00 96.27 9 A 1 ATOM 69 C CB . ALA A 1 9 ? 20.368 3.290 -21.615 1.00 96.05 9 A 1 ATOM 70 N N . LYS A 1 10 ? 19.766 0.534 -20.028 1.00 96.23 10 A 1 ATOM 71 C CA . LYS A 1 10 ? 19.037 -0.724 -19.802 1.00 95.61 10 A 1 ATOM 72 C C . LYS A 1 10 ? 18.480 -0.812 -18.379 1.00 96.35 10 A 1 ATOM 73 O O . LYS A 1 10 ? 17.304 -1.132 -18.211 1.00 96.07 10 A 1 ATOM 74 C CB . LYS A 1 10 ? 19.956 -1.909 -20.146 1.00 95.30 10 A 1 ATOM 75 C CG . LYS A 1 10 ? 19.235 -3.262 -20.099 1.00 84.58 10 A 1 ATOM 76 C CD . LYS A 1 10 ? 20.178 -4.404 -20.516 1.00 79.63 10 A 1 ATOM 77 C CE . LYS A 1 10 ? 19.471 -5.765 -20.457 1.00 71.40 10 A 1 ATOM 78 N NZ . LYS A 1 10 ? 20.373 -6.888 -20.852 1.00 64.50 10 A 1 ATOM 79 N N . GLN A 1 11 ? 19.274 -0.486 -17.365 1.00 96.25 11 A 1 ATOM 80 C CA . GLN A 1 11 ? 18.845 -0.487 -15.962 1.00 95.79 11 A 1 ATOM 81 C C . GLN A 1 11 ? 17.733 0.547 -15.716 1.00 96.42 11 A 1 ATOM 82 O O . GLN A 1 11 ? 16.717 0.206 -15.113 1.00 96.82 11 A 1 ATOM 83 C CB . GLN A 1 11 ? 20.046 -0.201 -15.051 1.00 94.76 11 A 1 ATOM 84 C CG . GLN A 1 11 ? 20.982 -1.411 -14.907 1.00 90.87 11 A 1 ATOM 85 C CD . GLN A 1 11 ? 22.347 -1.008 -14.332 1.00 88.43 11 A 1 ATOM 86 O OE1 . GLN A 1 11 ? 22.870 0.046 -14.652 1.00 83.99 11 A 1 ATOM 87 N NE2 . GLN A 1 11 ? 22.958 -1.822 -13.515 1.00 79.21 11 A 1 ATOM 88 N N . LYS A 1 12 ? 17.862 1.759 -16.273 1.00 95.02 12 A 1 ATOM 89 C CA . LYS A 1 12 ? 16.809 2.786 -16.180 1.00 95.28 12 A 1 ATOM 90 C C . LYS A 1 12 ? 15.485 2.308 -16.790 1.00 96.25 12 A 1 ATOM 91 O O . LYS A 1 12 ? 14.431 2.523 -16.202 1.00 96.38 12 A 1 ATOM 92 C CB . LYS A 1 12 ? 17.264 4.073 -16.880 1.00 94.99 12 A 1 ATOM 93 C CG . LYS A 1 12 ? 18.405 4.762 -16.121 1.00 91.73 12 A 1 ATOM 94 C CD . LYS A 1 12 ? 18.837 6.025 -16.862 1.00 88.75 12 A 1 ATOM 95 C CE . LYS A 1 12 ? 19.973 6.700 -16.104 1.00 83.04 12 A 1 ATOM 96 N NZ . LYS A 1 12 ? 20.393 7.959 -16.763 1.00 74.86 12 A 1 ATOM 97 N N . LYS A 1 13 ? 15.526 1.631 -17.956 1.00 96.25 13 A 1 ATOM 98 C CA . LYS A 1 13 ? 14.333 1.062 -18.600 1.00 96.14 13 A 1 ATOM 99 C C . LYS A 1 13 ? 13.678 -0.020 -17.742 1.00 96.64 13 A 1 ATOM 100 O O . LYS A 1 13 ? 12.448 -0.064 -17.672 1.00 95.63 13 A 1 ATOM 101 C CB . LYS A 1 13 ? 14.703 0.551 -20.002 1.00 96.26 13 A 1 ATOM 102 C CG . LYS A 1 13 ? 13.477 0.125 -20.815 1.00 89.17 13 A 1 ATOM 103 C CD . LYS A 1 13 ? 13.868 -0.276 -22.256 1.00 86.27 13 A 1 ATOM 104 C CE . LYS A 1 13 ? 12.630 -0.652 -23.075 1.00 78.58 13 A 1 ATOM 105 N NZ . LYS A 1 13 ? 12.972 -0.948 -24.498 1.00 71.42 13 A 1 ATOM 106 N N . ILE A 1 14 ? 14.461 -0.880 -17.096 1.00 97.13 14 A 1 ATOM 107 C CA . ILE A 1 14 ? 13.950 -1.909 -16.180 1.00 97.07 14 A 1 ATOM 108 C C . ILE A 1 14 ? 13.272 -1.258 -14.973 1.00 97.37 14 A 1 ATOM 109 O O . ILE A 1 14 ? 12.111 -1.559 -14.717 1.00 97.50 14 A 1 ATOM 110 C CB . ILE A 1 14 ? 15.074 -2.886 -15.762 1.00 97.13 14 A 1 ATOM 111 C CG1 . ILE A 1 14 ? 15.507 -3.743 -16.983 1.00 95.13 14 A 1 ATOM 112 C CG2 . ILE A 1 14 ? 14.607 -3.807 -14.614 1.00 94.57 14 A 1 ATOM 113 C CD1 . ILE A 1 14 ? 16.829 -4.495 -16.766 1.00 89.38 14 A 1 ATOM 114 N N . ILE A 1 15 ? 13.930 -0.317 -14.303 1.00 97.29 15 A 1 ATOM 115 C CA . ILE A 1 15 ? 13.386 0.402 -13.141 1.00 96.44 15 A 1 ATOM 116 C C . ILE A 1 15 ? 12.068 1.091 -13.505 1.00 96.79 15 A 1 ATOM 117 O O . ILE A 1 15 ? 11.065 0.895 -12.824 1.00 97.52 15 A 1 ATOM 118 C CB . ILE A 1 15 ? 14.428 1.399 -12.593 1.00 95.89 15 A 1 ATOM 119 C CG1 . ILE A 1 15 ? 15.608 0.621 -11.954 1.00 92.90 15 A 1 ATOM 120 C CG2 . ILE A 1 15 ? 13.804 2.354 -11.555 1.00 92.51 15 A 1 ATOM 121 C CD1 . ILE A 1 15 ? 16.839 1.488 -11.672 1.00 83.20 15 A 1 ATOM 122 N N . LYS A 1 16 ? 12.020 1.811 -14.634 1.00 96.70 16 A 1 ATOM 123 C CA . LYS A 1 16 ? 10.783 2.453 -15.110 1.00 96.59 16 A 1 ATOM 124 C C . LYS A 1 16 ? 9.644 1.449 -15.291 1.00 96.75 16 A 1 ATOM 125 O O . LYS A 1 16 ? 8.517 1.712 -14.886 1.00 96.90 16 A 1 ATOM 126 C CB . LYS A 1 16 ? 11.078 3.239 -16.401 1.00 96.83 16 A 1 ATOM 127 C CG . LYS A 1 16 ? 9.839 4.027 -16.866 1.00 89.00 16 A 1 ATOM 128 C CD . LYS A 1 16 ? 10.127 4.927 -18.075 1.00 85.73 16 A 1 ATOM 129 C CE . LYS A 1 16 ? 8.841 5.682 -18.418 1.00 77.79 16 A 1 ATOM 130 N NZ . LYS A 1 16 ? 9.013 6.668 -19.530 1.00 70.70 16 A 1 ATOM 131 N N . ARG A 1 17 ? 9.906 0.279 -15.893 1.00 97.27 17 A 1 ATOM 132 C CA . ARG A 1 17 ? 8.887 -0.776 -16.066 1.00 97.01 17 A 1 ATOM 133 C C . ARG A 1 17 ? 8.419 -1.354 -14.734 1.00 97.52 17 A 1 ATOM 134 O O . ARG A 1 17 ? 7.257 -1.727 -14.637 1.00 97.21 17 A 1 ATOM 135 C CB . ARG A 1 17 ? 9.425 -1.905 -16.953 1.00 97.21 17 A 1 ATOM 136 C CG . ARG A 1 17 ? 9.527 -1.495 -18.427 1.00 91.49 17 A 1 ATOM 137 C CD . ARG A 1 17 ? 10.145 -2.625 -19.262 1.00 88.23 17 A 1 ATOM 138 N NE . ARG A 1 17 ? 9.223 -3.757 -19.431 1.00 77.72 17 A 1 ATOM 139 C CZ . ARG A 1 17 ? 9.456 -4.883 -20.102 1.00 71.86 17 A 1 ATOM 140 N NH1 . ARG A 1 17 ? 10.606 -5.116 -20.669 1.00 66.43 17 A 1 ATOM 141 N NH2 . ARG A 1 17 ? 8.528 -5.784 -20.227 1.00 60.42 17 A 1 ATOM 142 N N . MET A 1 18 ? 9.309 -1.468 -13.750 1.00 97.30 18 A 1 ATOM 143 C CA . MET A 1 18 ? 8.958 -1.928 -12.406 1.00 97.07 18 A 1 ATOM 144 C C . MET A 1 18 ? 8.057 -0.916 -11.699 1.00 97.59 18 A 1 ATOM 145 O O . MET A 1 18 ? 7.004 -1.320 -11.222 1.00 97.64 18 A 1 ATOM 146 C CB . MET A 1 18 ? 10.215 -2.205 -11.582 1.00 96.36 18 A 1 ATOM 147 C CG . MET A 1 18 ? 10.965 -3.454 -12.083 1.00 88.87 18 A 1 ATOM 148 S SD . MET A 1 18 ? 12.534 -3.786 -11.239 1.00 82.33 18 A 1 ATOM 149 C CE . MET A 1 18 ? 11.941 -4.147 -9.555 1.00 70.93 18 A 1 ATOM 150 N N . HIS A 1 19 ? 8.404 0.364 -11.727 1.00 97.69 19 A 1 ATOM 151 C CA . HIS A 1 19 ? 7.575 1.420 -11.143 1.00 97.43 19 A 1 ATOM 152 C C . HIS A 1 19 ? 6.174 1.436 -11.756 1.00 97.63 19 A 1 ATOM 153 O O . HIS A 1 19 ? 5.200 1.253 -11.036 1.00 97.58 19 A 1 ATOM 154 C CB . HIS A 1 19 ? 8.261 2.783 -11.297 1.00 96.87 19 A 1 ATOM 155 C CG . HIS A 1 19 ? 9.505 2.973 -10.463 1.00 92.56 19 A 1 ATOM 156 N ND1 . HIS A 1 19 ? 10.253 4.127 -10.426 1.00 78.08 19 A 1 ATOM 157 C CD2 . HIS A 1 19 ? 10.080 2.105 -9.581 1.00 78.99 19 A 1 ATOM 158 C CE1 . HIS A 1 19 ? 11.249 3.953 -9.545 1.00 80.75 19 A 1 ATOM 159 N NE2 . HIS A 1 19 ? 11.186 2.729 -9.004 1.00 83.65 19 A 1 ATOM 160 N N . ASN A 1 20 ? 6.059 1.478 -13.090 1.00 97.13 20 A 1 ATOM 161 C CA . ASN A 1 20 ? 4.759 1.460 -13.750 1.00 96.98 20 A 1 ATOM 162 C C . ASN A 1 20 ? 3.889 0.247 -13.372 1.00 97.17 20 A 1 ATOM 163 O O . ASN A 1 20 ? 2.660 0.330 -13.358 1.00 96.73 20 A 1 ATOM 164 C CB . ASN A 1 20 ? 4.960 1.447 -15.272 1.00 97.33 20 A 1 ATOM 165 C CG . ASN A 1 20 ? 5.538 2.719 -15.878 1.00 95.05 20 A 1 ATOM 166 O OD1 . ASN A 1 20 ? 6.066 3.616 -15.263 1.00 88.98 20 A 1 ATOM 167 N ND2 . ASN A 1 20 ? 5.484 2.820 -17.189 1.00 89.24 20 A 1 ATOM 168 N N . ARG A 1 21 ? 4.499 -0.929 -13.119 1.00 97.25 21 A 1 ATOM 169 C CA . ARG A 1 21 ? 3.764 -2.127 -12.672 1.00 97.31 21 A 1 ATOM 170 C C . ARG A 1 21 ? 3.294 -1.992 -11.234 1.00 97.51 21 A 1 ATOM 171 O O . ARG A 1 21 ? 2.188 -2.430 -10.935 1.00 97.01 21 A 1 ATOM 172 C CB . ARG A 1 21 ? 4.633 -3.376 -12.810 1.00 97.42 21 A 1 ATOM 173 C CG . ARG A 1 21 ? 4.740 -3.848 -14.262 1.00 91.62 21 A 1 ATOM 174 C CD . ARG A 1 21 ? 5.752 -4.992 -14.315 1.00 86.53 21 A 1 ATOM 175 N NE . ARG A 1 21 ? 5.833 -5.587 -15.661 1.00 76.23 21 A 1 ATOM 176 C CZ . ARG A 1 21 ? 6.527 -6.659 -15.985 1.00 67.65 21 A 1 ATOM 177 N NH1 . ARG A 1 21 ? 7.306 -7.271 -15.122 1.00 64.54 21 A 1 ATOM 178 N NH2 . ARG A 1 21 ? 6.443 -7.166 -17.184 1.00 58.46 21 A 1 ATOM 179 N N . ILE A 1 22 ? 4.125 -1.428 -10.360 1.00 97.56 22 A 1 ATOM 180 C CA . ILE A 1 22 ? 3.766 -1.171 -8.964 1.00 97.23 22 A 1 ATOM 181 C C . ILE A 1 22 ? 2.627 -0.161 -8.920 1.00 97.40 22 A 1 ATOM 182 O O . ILE A 1 22 ? 1.609 -0.451 -8.299 1.00 97.53 22 A 1 ATOM 183 C CB . ILE A 1 22 ? 5.003 -0.707 -8.164 1.00 97.10 22 A 1 ATOM 184 C CG1 . ILE A 1 22 ? 6.017 -1.874 -8.031 1.00 93.50 22 A 1 ATOM 185 C CG2 . ILE A 1 22 ? 4.597 -0.201 -6.771 1.00 93.05 22 A 1 ATOM 186 C CD1 . ILE A 1 22 ? 7.402 -1.433 -7.566 1.00 85.13 22 A 1 ATOM 187 N N . ASP A 1 23 ? 2.741 0.949 -9.652 1.00 97.71 23 A 1 ATOM 188 C CA . ASP A 1 23 ? 1.705 1.985 -9.718 1.00 97.74 23 A 1 ATOM 189 C C . ASP A 1 23 ? 0.370 1.403 -10.192 1.00 97.78 23 A 1 ATOM 190 O O . ASP A 1 23 ? -0.655 1.594 -9.541 1.00 97.59 23 A 1 ATOM 191 C CB . ASP A 1 23 ? 2.157 3.125 -10.647 1.00 97.51 23 A 1 ATOM 192 C CG . ASP A 1 23 ? 3.434 3.847 -10.188 1.00 94.39 23 A 1 ATOM 193 O OD1 . ASP A 1 23 ? 3.733 3.811 -8.973 1.00 89.67 23 A 1 ATOM 194 O OD2 . ASP A 1 23 ? 4.140 4.378 -11.071 1.00 89.99 23 A 1 ATOM 195 N N . TYR A 1 24 ? 0.384 0.589 -11.256 1.00 97.69 24 A 1 ATOM 196 C CA . TYR A 1 24 ? -0.811 -0.109 -11.750 1.00 97.37 24 A 1 ATOM 197 C C . TYR A 1 24 ? -1.439 -1.029 -10.693 1.00 97.52 24 A 1 ATOM 198 O O . TYR A 1 24 ? -2.662 -1.087 -10.566 1.00 97.33 24 A 1 ATOM 199 C CB . TYR A 1 24 ? -0.440 -0.923 -12.991 1.00 97.53 24 A 1 ATOM 200 C CG . TYR A 1 24 ? -1.562 -1.820 -13.474 1.00 96.15 24 A 1 ATOM 201 C CD1 . TYR A 1 24 ? -1.557 -3.200 -13.157 1.00 92.49 24 A 1 ATOM 202 C CD2 . TYR A 1 24 ? -2.642 -1.270 -14.186 1.00 94.04 24 A 1 ATOM 203 C CE1 . TYR A 1 24 ? -2.627 -4.016 -13.562 1.00 91.32 24 A 1 ATOM 204 C CE2 . TYR A 1 24 ? -3.710 -2.086 -14.594 1.00 92.56 24 A 1 ATOM 205 C CZ . TYR A 1 24 ? -3.707 -3.466 -14.286 1.00 92.22 24 A 1 ATOM 206 O OH . TYR A 1 24 ? -4.741 -4.252 -14.681 1.00 90.95 24 A 1 ATOM 207 N N . ILE A 1 25 ? -0.627 -1.779 -9.948 1.00 97.85 25 A 1 ATOM 208 C CA . ILE A 1 25 ? -1.131 -2.664 -8.886 1.00 97.43 25 A 1 ATOM 209 C C . ILE A 1 25 ? -1.746 -1.832 -7.758 1.00 97.56 25 A 1 ATOM 210 O O . ILE A 1 25 ? -2.852 -2.145 -7.321 1.00 97.56 25 A 1 ATOM 211 C CB . ILE A 1 25 ? -0.015 -3.602 -8.372 1.00 97.24 25 A 1 ATOM 212 C CG1 . ILE A 1 25 ? 0.328 -4.646 -9.461 1.00 95.14 25 A 1 ATOM 213 C CG2 . ILE A 1 25 ? -0.417 -4.317 -7.069 1.00 94.90 25 A 1 ATOM 214 C CD1 . ILE A 1 25 ? 1.641 -5.409 -9.187 1.00 88.12 25 A 1 ATOM 215 N N . LEU A 1 26 ? -1.070 -0.784 -7.311 1.00 97.92 26 A 1 ATOM 216 C CA . LEU A 1 26 ? -1.559 0.089 -6.252 1.00 97.68 26 A 1 ATOM 217 C C . LEU A 1 26 ? -2.868 0.771 -6.651 1.00 97.60 26 A 1 ATOM 218 O O . LEU A 1 26 ? -3.805 0.774 -5.858 1.00 97.41 26 A 1 ATOM 219 C CB . LEU A 1 26 ? -0.489 1.144 -5.913 1.00 97.13 26 A 1 ATOM 220 C CG . LEU A 1 26 ? 0.770 0.583 -5.223 1.00 92.47 26 A 1 ATOM 221 C CD1 . LEU A 1 26 ? 1.784 1.715 -5.034 1.00 89.19 26 A 1 ATOM 222 C CD2 . LEU A 1 26 ? 0.470 -0.017 -3.853 1.00 91.02 26 A 1 ATOM 223 N N . GLU A 1 27 ? -2.968 1.277 -7.877 1.00 97.83 27 A 1 ATOM 224 C CA . GLU A 1 27 ? -4.191 1.885 -8.398 1.00 97.65 27 A 1 ATOM 225 C C . GLU A 1 27 ? -5.337 0.866 -8.488 1.00 97.69 27 A 1 ATOM 226 O O . GLU A 1 27 ? -6.423 1.097 -7.961 1.00 97.34 27 A 1 ATOM 227 C CB . GLU A 1 27 ? -3.884 2.512 -9.753 1.00 97.58 27 A 1 ATOM 228 C CG . GLU A 1 27 ? -5.064 3.310 -10.319 1.00 86.91 27 A 1 ATOM 229 C CD . GLU A 1 27 ? -4.738 3.993 -11.657 1.00 77.31 27 A 1 ATOM 230 O OE1 . GLU A 1 27 ? -5.564 4.828 -12.080 1.00 70.91 27 A 1 ATOM 231 O OE2 . GLU A 1 27 ? -3.690 3.671 -12.266 1.00 73.02 27 A 1 ATOM 232 N N . LYS A 1 28 ? -5.069 -0.301 -9.079 1.00 97.55 28 A 1 ATOM 233 C CA . LYS A 1 28 ? -6.077 -1.346 -9.273 1.00 97.14 28 A 1 ATOM 234 C C . LYS A 1 28 ? -6.635 -1.895 -7.963 1.00 97.11 28 A 1 ATOM 235 O O . LYS A 1 28 ? -7.818 -2.248 -7.903 1.00 96.75 28 A 1 ATOM 236 C CB . LYS A 1 28 ? -5.463 -2.466 -10.129 1.00 97.05 28 A 1 ATOM 237 C CG . LYS A 1 28 ? -6.481 -3.576 -10.401 1.00 90.78 28 A 1 ATOM 238 C CD . LYS A 1 28 ? -5.917 -4.596 -11.395 1.00 85.25 28 A 1 ATOM 239 C CE . LYS A 1 28 ? -6.982 -5.674 -11.613 1.00 79.75 28 A 1 ATOM 240 N NZ . LYS A 1 28 ? -6.520 -6.679 -12.595 1.00 71.46 28 A 1 ATOM 241 N N . TYR A 1 29 ? -5.802 -2.021 -6.939 1.00 97.56 29 A 1 ATOM 242 C CA . TYR A 1 29 ? -6.183 -2.585 -5.650 1.00 97.21 29 A 1 ATOM 243 C C . TYR A 1 29 ? -6.319 -1.531 -4.545 1.00 97.16 29 A 1 ATOM 244 O O . TYR A 1 29 ? -6.408 -1.891 -3.379 1.00 96.51 29 A 1 ATOM 245 C CB . TYR A 1 29 ? -5.229 -3.724 -5.275 1.00 96.95 29 A 1 ATOM 246 C CG . TYR A 1 29 ? -5.291 -4.893 -6.240 1.00 94.96 29 A 1 ATOM 247 C CD1 . TYR A 1 29 ? -6.407 -5.753 -6.243 1.00 91.06 29 A 1 ATOM 248 C CD2 . TYR A 1 29 ? -4.244 -5.125 -7.148 1.00 91.65 29 A 1 ATOM 249 C CE1 . TYR A 1 29 ? -6.477 -6.834 -7.134 1.00 89.21 29 A 1 ATOM 250 C CE2 . TYR A 1 29 ? -4.302 -6.202 -8.053 1.00 90.18 29 A 1 ATOM 251 C CZ . TYR A 1 29 ? -5.421 -7.063 -8.039 1.00 90.04 29 A 1 ATOM 252 O OH . TYR A 1 29 ? -5.480 -8.099 -8.916 1.00 87.73 29 A 1 ATOM 253 N N . LYS A 1 30 ? -6.376 -0.237 -4.909 1.00 96.56 30 A 1 ATOM 254 C CA . LYS A 1 30 ? -6.426 0.874 -3.959 1.00 96.45 30 A 1 ATOM 255 C C . LYS A 1 30 ? -7.549 0.718 -2.934 1.00 96.28 30 A 1 ATOM 256 O O . LYS A 1 30 ? -7.286 0.830 -1.744 1.00 96.22 30 A 1 ATOM 257 C CB . LYS A 1 30 ? -6.556 2.188 -4.727 1.00 96.53 30 A 1 ATOM 258 C CG . LYS A 1 30 ? -6.455 3.385 -3.780 1.00 93.60 30 A 1 ATOM 259 C CD . LYS A 1 30 ? -6.583 4.708 -4.541 1.00 88.65 30 A 1 ATOM 260 C CE . LYS A 1 30 ? -6.436 5.894 -3.582 1.00 82.21 30 A 1 ATOM 261 N NZ . LYS A 1 30 ? -7.463 5.889 -2.524 1.00 72.46 30 A 1 ATOM 262 N N . GLU A 1 31 ? -8.759 0.410 -3.374 1.00 96.53 31 A 1 ATOM 263 C CA . GLU A 1 31 ? -9.907 0.246 -2.476 1.00 95.55 31 A 1 ATOM 264 C C . GLU A 1 31 ? -9.674 -0.843 -1.421 1.00 95.83 31 A 1 ATOM 265 O O . GLU A 1 31 ? -9.988 -0.665 -0.246 1.00 95.20 31 A 1 ATOM 266 C CB . GLU A 1 31 ? -11.155 -0.073 -3.317 1.00 93.82 31 A 1 ATOM 267 C CG . GLU A 1 31 ? -12.427 -0.063 -2.464 1.00 83.04 31 A 1 ATOM 268 C CD . GLU A 1 31 ? -13.694 -0.416 -3.252 1.00 80.35 31 A 1 ATOM 269 O OE1 . GLU A 1 31 ? -14.767 -0.476 -2.611 1.00 74.20 31 A 1 ATOM 270 O OE2 . GLU A 1 31 ? -13.599 -0.688 -4.463 1.00 76.41 31 A 1 ATOM 271 N N . TYR A 1 32 ? -9.075 -1.966 -1.825 1.00 96.35 32 A 1 ATOM 272 C CA . TYR A 1 32 ? -8.769 -3.062 -0.903 1.00 96.22 32 A 1 ATOM 273 C C . TYR A 1 32 ? -7.664 -2.684 0.086 1.00 96.74 32 A 1 ATOM 274 O O . TYR A 1 32 ? -7.747 -3.037 1.263 1.00 96.42 32 A 1 ATOM 275 C CB . TYR A 1 32 ? -8.356 -4.313 -1.686 1.00 95.67 32 A 1 ATOM 276 C CG . TYR A 1 32 ? -9.421 -4.837 -2.633 1.00 93.62 32 A 1 ATOM 277 C CD1 . TYR A 1 32 ? -10.388 -5.736 -2.157 1.00 88.29 32 A 1 ATOM 278 C CD2 . TYR A 1 32 ? -9.433 -4.434 -3.980 1.00 87.81 32 A 1 ATOM 279 C CE1 . TYR A 1 32 ? -11.381 -6.232 -3.024 1.00 84.91 32 A 1 ATOM 280 C CE2 . TYR A 1 32 ? -10.420 -4.921 -4.850 1.00 85.60 32 A 1 ATOM 281 C CZ . TYR A 1 32 ? -11.397 -5.821 -4.375 1.00 86.32 32 A 1 ATOM 282 O OH . TYR A 1 32 ? -12.355 -6.292 -5.208 1.00 84.09 32 A 1 ATOM 283 N N . LEU A 1 33 ? -6.650 -1.962 -0.382 1.00 96.55 33 A 1 ATOM 284 C CA . LEU A 1 33 ? -5.563 -1.481 0.476 1.00 96.78 33 A 1 ATOM 285 C C . LEU A 1 33 ? -6.071 -0.445 1.483 1.00 97.17 33 A 1 ATOM 286 O O . LEU A 1 33 ? -5.733 -0.534 2.662 1.00 97.21 33 A 1 ATOM 287 C CB . LEU A 1 33 ? -4.443 -0.899 -0.403 1.00 96.39 33 A 1 ATOM 288 C CG . LEU A 1 33 ? -3.733 -1.932 -1.302 1.00 93.35 33 A 1 ATOM 289 C CD1 . LEU A 1 33 ? -2.763 -1.205 -2.239 1.00 90.46 33 A 1 ATOM 290 C CD2 . LEU A 1 33 ? -2.944 -2.959 -0.499 1.00 90.79 33 A 1 ATOM 291 N N . ASP A 1 34 ? -6.926 0.480 1.042 1.00 96.42 34 A 1 ATOM 292 C CA . ASP A 1 34 ? -7.570 1.475 1.904 1.00 96.37 34 A 1 ATOM 293 C C . ASP A 1 34 ? -8.480 0.791 2.940 1.00 96.51 34 A 1 ATOM 294 O O . ASP A 1 34 ? -8.435 1.124 4.123 1.00 96.33 34 A 1 ATOM 295 C CB . ASP A 1 34 ? -8.362 2.482 1.056 1.00 95.84 34 A 1 ATOM 296 C CG . ASP A 1 34 ? -7.511 3.434 0.195 1.00 93.78 34 A 1 ATOM 297 O OD1 . ASP A 1 34 ? -6.299 3.622 0.463 1.00 91.10 34 A 1 ATOM 298 O OD2 . ASP A 1 34 ? -8.075 4.051 -0.750 1.00 90.89 34 A 1 ATOM 299 N N . ALA A 1 35 ? -9.237 -0.227 2.525 1.00 96.92 35 A 1 ATOM 300 C CA . ALA A 1 35 ? -10.078 -1.011 3.421 1.00 96.97 35 A 1 ATOM 301 C C . ALA A 1 35 ? -9.271 -1.754 4.501 1.00 97.14 35 A 1 ATOM 302 O O . ALA A 1 35 ? -9.691 -1.794 5.656 1.00 96.89 35 A 1 ATOM 303 C CB . ALA A 1 35 ? -10.913 -1.995 2.589 1.00 96.77 35 A 1 ATOM 304 N N . LEU A 1 36 ? -8.117 -2.317 4.148 1.00 97.24 36 A 1 ATOM 305 C CA . LEU A 1 36 ? -7.217 -2.950 5.110 1.00 97.00 36 A 1 ATOM 306 C C . LEU A 1 36 ? -6.612 -1.934 6.087 1.00 97.12 36 A 1 ATOM 307 O O . LEU A 1 36 ? -6.592 -2.187 7.290 1.00 96.87 36 A 1 ATOM 308 C CB . LEU A 1 36 ? -6.100 -3.699 4.363 1.00 96.31 36 A 1 ATOM 309 C CG . LEU A 1 36 ? -6.559 -4.994 3.656 1.00 92.04 36 A 1 ATOM 310 C CD1 . LEU A 1 36 ? -5.419 -5.523 2.795 1.00 88.64 36 A 1 ATOM 311 C CD2 . LEU A 1 36 ? -6.954 -6.086 4.651 1.00 88.50 36 A 1 ATOM 312 N N . ALA A 1 37 ? -6.186 -0.776 5.584 1.00 97.53 37 A 1 ATOM 313 C CA . ALA A 1 37 ? -5.657 0.291 6.440 1.00 97.48 37 A 1 ATOM 314 C C . ALA A 1 37 ? -6.718 0.831 7.416 1.00 97.23 37 A 1 ATOM 315 O O . ALA A 1 37 ? -6.396 1.171 8.556 1.00 96.96 37 A 1 ATOM 316 C CB . ALA A 1 37 ? -5.115 1.405 5.538 1.00 97.34 37 A 1 ATOM 317 N N . GLU A 1 38 ? -7.976 0.911 6.974 1.00 96.57 38 A 1 ATOM 318 C CA . GLU A 1 38 ? -9.091 1.297 7.835 1.00 95.70 38 A 1 ATOM 319 C C . GLU A 1 38 ? -9.435 0.207 8.856 1.00 95.78 38 A 1 ATOM 320 O O . GLU A 1 38 ? -9.668 0.506 10.025 1.00 95.02 38 A 1 ATOM 321 C CB . GLU A 1 38 ? -10.298 1.659 6.956 1.00 94.84 38 A 1 ATOM 322 C CG . GLU A 1 38 ? -11.447 2.316 7.736 1.00 83.41 38 A 1 ATOM 323 C CD . GLU A 1 38 ? -11.082 3.657 8.392 1.00 78.00 38 A 1 ATOM 324 O OE1 . GLU A 1 38 ? -11.906 4.138 9.202 1.00 69.67 38 A 1 ATOM 325 O OE2 . GLU A 1 38 ? -9.991 4.213 8.103 1.00 70.74 38 A 1 ATOM 326 N N . PHE A 1 39 ? -9.390 -1.056 8.442 1.00 96.26 39 A 1 ATOM 327 C CA . PHE A 1 39 ? -9.580 -2.193 9.341 1.00 96.19 39 A 1 ATOM 328 C C . PHE A 1 39 ? -8.546 -2.222 10.471 1.00 96.10 39 A 1 ATOM 329 O O . PHE A 1 39 ? -8.912 -2.471 11.619 1.00 95.84 39 A 1 ATOM 330 C CB . PHE A 1 39 ? -9.521 -3.496 8.537 1.00 95.81 39 A 1 ATOM 331 C CG . PHE A 1 39 ? -9.510 -4.730 9.416 1.00 95.38 39 A 1 ATOM 332 C CD1 . PHE A 1 39 ? -8.353 -5.527 9.513 1.00 93.21 39 A 1 ATOM 333 C CD2 . PHE A 1 39 ? -10.649 -5.051 10.180 1.00 93.93 39 A 1 ATOM 334 C CE1 . PHE A 1 39 ? -8.345 -6.659 10.356 1.00 92.95 39 A 1 ATOM 335 C CE2 . PHE A 1 39 ? -10.633 -6.174 11.019 1.00 92.91 39 A 1 ATOM 336 C CZ . PHE A 1 39 ? -9.486 -6.980 11.106 1.00 92.98 39 A 1 ATOM 337 N N . ASP A 1 40 ? -7.294 -1.920 10.185 1.00 96.49 40 A 1 ATOM 338 C CA . ASP A 1 40 ? -6.262 -1.858 11.218 1.00 95.82 40 A 1 ATOM 339 C C . ASP A 1 40 ? -6.553 -0.808 12.298 1.00 95.30 40 A 1 ATOM 340 O O . ASP A 1 40 ? -6.248 -1.028 13.470 1.00 94.56 40 A 1 ATOM 341 C CB . ASP A 1 40 ? -4.891 -1.600 10.573 1.00 95.41 40 A 1 ATOM 342 C CG . ASP A 1 40 ? -4.257 -2.857 9.962 1.00 88.98 40 A 1 ATOM 343 O OD1 . ASP A 1 40 ? -4.695 -3.981 10.332 1.00 82.54 40 A 1 ATOM 344 O OD2 . ASP A 1 40 ? -3.280 -2.688 9.209 1.00 82.09 40 A 1 ATOM 345 N N . ARG A 1 41 ? -7.197 0.310 11.903 1.00 95.81 41 A 1 ATOM 346 C CA . ARG A 1 41 ? -7.558 1.400 12.814 1.00 95.49 41 A 1 ATOM 347 C C . ARG A 1 41 ? -8.858 1.144 13.567 1.00 94.96 41 A 1 ATOM 348 O O . ARG A 1 41 ? -8.935 1.430 14.756 1.00 93.33 41 A 1 ATOM 349 C CB . ARG A 1 41 ? -7.715 2.704 12.022 1.00 95.08 41 A 1 ATOM 350 C CG . ARG A 1 41 ? -6.397 3.175 11.395 1.00 90.65 41 A 1 ATOM 351 C CD . ARG A 1 41 ? -6.696 4.385 10.516 1.00 87.94 41 A 1 ATOM 352 N NE . ARG A 1 41 ? -5.535 4.781 9.720 1.00 79.09 41 A 1 ATOM 353 C CZ . ARG A 1 41 ? -5.573 5.318 8.521 1.00 72.45 41 A 1 ATOM 354 N NH1 . ARG A 1 41 ? -6.712 5.585 7.925 1.00 65.32 41 A 1 ATOM 355 N NH2 . ARG A 1 41 ? -4.470 5.600 7.883 1.00 62.90 41 A 1 ATOM 356 N N . THR A 1 42 ? -9.888 0.663 12.875 1.00 95.48 42 A 1 ATOM 357 C CA . THR A 1 42 ? -11.265 0.610 13.388 1.00 94.66 42 A 1 ATOM 358 C C . THR A 1 42 ? -11.690 -0.778 13.842 1.00 94.37 42 A 1 ATOM 359 O O . THR A 1 42 ? -12.651 -0.915 14.591 1.00 92.68 42 A 1 ATOM 360 C CB . THR A 1 42 ? -12.264 1.112 12.344 1.00 94.20 42 A 1 ATOM 361 O OG1 . THR A 1 42 ? -12.249 0.270 11.218 1.00 93.00 42 A 1 ATOM 362 C CG2 . THR A 1 42 ? -11.971 2.536 11.879 1.00 91.87 42 A 1 ATOM 363 N N . GLY A 1 43 ? -11.008 -1.828 13.363 1.00 94.72 43 A 1 ATOM 364 C CA . GLY A 1 43 ? -11.431 -3.213 13.534 1.00 94.07 43 A 1 ATOM 365 C C . GLY A 1 43 ? -12.591 -3.633 12.627 1.00 94.74 43 A 1 ATOM 366 O O . GLY A 1 43 ? -13.059 -4.763 12.746 1.00 93.69 43 A 1 ATOM 367 N N . VAL A 1 44 ? -13.047 -2.765 11.701 1.00 95.21 44 A 1 ATOM 368 C CA . VAL A 1 44 ? -14.152 -3.044 10.779 1.00 95.68 44 A 1 ATOM 369 C C . VAL A 1 44 ? -13.641 -3.091 9.344 1.00 96.37 44 A 1 ATOM 370 O O . VAL A 1 44 ? -13.228 -2.073 8.792 1.00 95.93 44 A 1 ATOM 371 C CB . VAL A 1 44 ? -15.279 -2.009 10.923 1.00 94.72 44 A 1 ATOM 372 C CG1 . VAL A 1 44 ? -16.479 -2.393 10.043 1.00 92.40 44 A 1 ATOM 373 C CG2 . VAL A 1 44 ? -15.772 -1.897 12.371 1.00 92.47 44 A 1 ATOM 374 N N . LEU A 1 45 ? -13.683 -4.264 8.708 1.00 94.13 45 A 1 ATOM 375 C CA . LEU A 1 45 ? -13.319 -4.443 7.305 1.00 94.97 45 A 1 ATOM 376 C C . LEU A 1 45 ? -14.531 -4.180 6.410 1.00 95.41 45 A 1 ATOM 377 O O . LEU A 1 45 ? -15.502 -4.939 6.434 1.00 95.06 45 A 1 ATOM 378 C CB . LEU A 1 45 ? -12.736 -5.847 7.094 1.00 94.69 45 A 1 ATOM 379 C CG . LEU A 1 45 ? -12.259 -6.110 5.657 1.00 93.44 45 A 1 ATOM 380 C CD1 . LEU A 1 45 ? -11.116 -5.189 5.237 1.00 91.59 45 A 1 ATOM 381 C CD2 . LEU A 1 45 ? -11.771 -7.554 5.530 1.00 91.50 45 A 1 ATOM 382 N N . LYS A 1 46 ? -14.453 -3.137 5.582 1.00 96.25 46 A 1 ATOM 383 C CA . LYS A 1 46 ? -15.481 -2.781 4.590 1.00 95.81 46 A 1 ATOM 384 C C . LYS A 1 46 ? -14.890 -2.827 3.189 1.00 95.94 46 A 1 ATOM 385 O O . LYS A 1 46 ? -13.864 -2.217 2.938 1.00 94.55 46 A 1 ATOM 386 C CB . LYS A 1 46 ? -16.065 -1.395 4.880 1.00 94.04 46 A 1 ATOM 387 C CG . LYS A 1 46 ? -16.827 -1.352 6.206 1.00 85.35 46 A 1 ATOM 388 C CD . LYS A 1 46 ? -17.392 0.053 6.477 1.00 86.86 46 A 1 ATOM 389 C CE . LYS A 1 46 ? -18.075 0.071 7.839 1.00 77.78 46 A 1 ATOM 390 N NZ . LYS A 1 46 ? -18.537 1.428 8.203 1.00 72.05 46 A 1 ATOM 391 N N . ILE A 1 47 ? -15.570 -3.506 2.256 1.00 95.32 47 A 1 ATOM 392 C CA . ILE A 1 47 ? -15.211 -3.544 0.836 1.00 94.66 47 A 1 ATOM 393 C C . ILE A 1 47 ? -16.492 -3.294 0.034 1.00 94.60 47 A 1 ATOM 394 O O . ILE A 1 47 ? -17.538 -3.875 0.342 1.00 93.44 47 A 1 ATOM 395 C CB . ILE A 1 47 ? -14.523 -4.871 0.463 1.00 93.77 47 A 1 ATOM 396 C CG1 . ILE A 1 47 ? -13.199 -5.027 1.243 1.00 91.41 47 A 1 ATOM 397 C CG2 . ILE A 1 47 ? -14.263 -4.930 -1.053 1.00 90.93 47 A 1 ATOM 398 C CD1 . ILE A 1 47 ? -12.451 -6.346 1.014 1.00 86.57 47 A 1 ATOM 399 N N . HIS A 1 48 ? -16.429 -2.412 -0.958 1.00 93.93 48 A 1 ATOM 400 C CA . HIS A 1 48 ? -17.587 -1.973 -1.738 1.00 93.36 48 A 1 ATOM 401 C C . HIS A 1 48 ? -18.785 -1.535 -0.876 1.00 94.11 48 A 1 ATOM 402 O O . HIS A 1 48 ? -19.945 -1.860 -1.143 1.00 91.70 48 A 1 ATOM 403 C CB . HIS A 1 48 ? -17.963 -3.034 -2.785 1.00 92.21 48 A 1 ATOM 404 C CG . HIS A 1 48 ? -16.825 -3.445 -3.683 1.00 90.79 48 A 1 ATOM 405 N ND1 . HIS A 1 48 ? -15.977 -2.605 -4.371 1.00 79.97 48 A 1 ATOM 406 C CD2 . HIS A 1 48 ? -16.428 -4.728 -3.980 1.00 80.63 48 A 1 ATOM 407 C CE1 . HIS A 1 48 ? -15.101 -3.364 -5.048 1.00 83.13 48 A 1 ATOM 408 N NE2 . HIS A 1 48 ? -15.348 -4.659 -4.846 1.00 84.40 48 A 1 ATOM 409 N N . GLY A 1 49 ? -18.512 -0.844 0.231 1.00 92.99 49 A 1 ATOM 410 C CA . GLY A 1 49 ? -19.520 -0.362 1.181 1.00 92.86 49 A 1 ATOM 411 C C . GLY A 1 49 ? -20.172 -1.437 2.054 1.00 94.61 49 A 1 ATOM 412 O O . GLY A 1 49 ? -21.008 -1.105 2.892 1.00 92.98 49 A 1 ATOM 413 N N . LYS A 1 50 ? -19.796 -2.709 1.907 1.00 95.04 50 A 1 ATOM 414 C CA . LYS A 1 50 ? -20.316 -3.818 2.711 1.00 95.71 50 A 1 ATOM 415 C C . LYS A 1 50 ? -19.329 -4.188 3.811 1.00 96.23 50 A 1 ATOM 416 O O . LYS A 1 50 ? -18.145 -4.355 3.547 1.00 95.24 50 A 1 ATOM 417 C CB . LYS A 1 50 ? -20.618 -5.031 1.826 1.00 95.23 50 A 1 ATOM 418 C CG . LYS A 1 50 ? -21.724 -4.723 0.811 1.00 87.42 50 A 1 ATOM 419 C CD . LYS A 1 50 ? -22.018 -5.960 -0.042 1.00 85.29 50 A 1 ATOM 420 C CE . LYS A 1 50 ? -23.089 -5.619 -1.063 1.00 76.39 50 A 1 ATOM 421 N NZ . LYS A 1 50 ? -23.390 -6.772 -1.950 1.00 68.86 50 A 1 ATOM 422 N N . VAL A 1 51 ? -19.837 -4.382 5.024 1.00 95.84 51 A 1 ATOM 423 C CA . VAL A 1 51 ? -19.055 -4.941 6.126 1.00 96.05 51 A 1 ATOM 424 C C . VAL A 1 51 ? -18.850 -6.429 5.867 1.00 96.04 51 A 1 ATOM 425 O O . VAL A 1 51 ? -19.816 -7.166 5.733 1.00 94.76 51 A 1 ATOM 426 C CB . VAL A 1 51 ? -19.724 -4.699 7.489 1.00 95.34 51 A 1 ATOM 427 C CG1 . VAL A 1 51 ? -18.856 -5.253 8.624 1.00 93.53 51 A 1 ATOM 428 C CG2 . VAL A 1 51 ? -19.936 -3.198 7.743 1.00 93.59 51 A 1 ATOM 429 N N . ILE A 1 52 ? -17.590 -6.853 5.770 1.00 96.56 52 A 1 ATOM 430 C CA . ILE A 1 52 ? -17.211 -8.248 5.544 1.00 95.56 52 A 1 ATOM 431 C C . ILE A 1 52 ? -16.786 -8.907 6.850 1.00 96.10 52 A 1 ATOM 432 O O . ILE A 1 52 ? -17.043 -10.085 7.072 1.00 95.15 52 A 1 ATOM 433 C CB . ILE A 1 52 ? -16.089 -8.332 4.477 1.00 93.83 52 A 1 ATOM 434 C CG1 . ILE A 1 52 ? -16.592 -7.704 3.156 1.00 86.93 52 A 1 ATOM 435 C CG2 . ILE A 1 52 ? -15.638 -9.790 4.259 1.00 83.67 52 A 1 ATOM 436 C CD1 . ILE A 1 52 ? -15.653 -7.865 1.981 1.00 78.05 52 A 1 ATOM 437 N N . TYR A 1 53 ? -16.121 -8.145 7.715 1.00 94.93 53 A 1 ATOM 438 C CA . TYR A 1 53 ? -15.613 -8.649 8.980 1.00 94.86 53 A 1 ATOM 439 C C . TYR A 1 53 ? -15.531 -7.539 10.024 1.00 95.25 53 A 1 ATOM 440 O O . TYR A 1 53 ? -15.133 -6.418 9.711 1.00 95.02 53 A 1 ATOM 441 C CB . TYR A 1 53 ? -14.233 -9.287 8.745 1.00 94.20 53 A 1 ATOM 442 C CG . TYR A 1 53 ? -13.586 -9.817 9.999 1.00 92.81 53 A 1 ATOM 443 C CD1 . TYR A 1 53 ? -12.640 -9.031 10.693 1.00 90.08 53 A 1 ATOM 444 C CD2 . TYR A 1 53 ? -13.939 -11.078 10.499 1.00 90.37 53 A 1 ATOM 445 C CE1 . TYR A 1 53 ? -12.046 -9.509 11.872 1.00 88.50 53 A 1 ATOM 446 C CE2 . TYR A 1 53 ? -13.356 -11.569 11.681 1.00 88.84 53 A 1 ATOM 447 C CZ . TYR A 1 53 ? -12.403 -10.785 12.370 1.00 88.77 53 A 1 ATOM 448 O OH . TYR A 1 53 ? -11.824 -11.245 13.516 1.00 86.66 53 A 1 ATOM 449 N N . GLU A 1 54 ? -15.862 -7.870 11.264 1.00 94.75 54 A 1 ATOM 450 C CA . GLU A 1 54 ? -15.667 -7.017 12.424 1.00 94.33 54 A 1 ATOM 451 C C . GLU A 1 54 ? -14.807 -7.751 13.449 1.00 94.13 54 A 1 ATOM 452 O O . GLU A 1 54 ? -15.100 -8.895 13.830 1.00 92.19 54 A 1 ATOM 453 C CB . GLU A 1 54 ? -17.003 -6.589 13.044 1.00 92.16 54 A 1 ATOM 454 C CG . GLU A 1 54 ? -17.804 -5.714 12.077 1.00 82.66 54 A 1 ATOM 455 C CD . GLU A 1 54 ? -19.108 -5.165 12.660 1.00 81.86 54 A 1 ATOM 456 O OE1 . GLU A 1 54 ? -19.845 -4.531 11.868 1.00 74.82 54 A 1 ATOM 457 O OE2 . GLU A 1 54 ? -19.369 -5.387 13.854 1.00 75.88 54 A 1 ATOM 458 N N . ARG A 1 55 ? -13.733 -7.103 13.888 1.00 92.83 55 A 1 ATOM 459 C CA . ARG A 1 55 ? -12.892 -7.614 14.958 1.00 90.29 55 A 1 ATOM 460 C C . ARG A 1 55 ? -13.712 -7.613 16.243 1.00 88.10 55 A 1 ATOM 461 O O . ARG A 1 55 ? -14.074 -6.553 16.746 1.00 84.57 55 A 1 ATOM 462 C CB . ARG A 1 55 ? -11.618 -6.758 15.069 1.00 88.18 55 A 1 ATOM 463 C CG . ARG A 1 55 ? -10.621 -7.359 16.077 1.00 80.66 55 A 1 ATOM 464 C CD . ARG A 1 55 ? -9.364 -6.488 16.212 1.00 79.09 55 A 1 ATOM 465 N NE . ARG A 1 55 ? -8.602 -6.392 14.947 1.00 72.64 55 A 1 ATOM 466 C CZ . ARG A 1 55 ? -7.497 -5.680 14.751 1.00 66.82 55 A 1 ATOM 467 N NH1 . ARG A 1 55 ? -6.930 -5.009 15.705 1.00 64.70 55 A 1 ATOM 468 N NH2 . ARG A 1 55 ? -6.943 -5.626 13.572 1.00 59.56 55 A 1 ATOM 469 N N . LYS A 1 56 ? -13.972 -8.794 16.783 1.00 87.59 56 A 1 ATOM 470 C CA . LYS A 1 56 ? -14.562 -8.916 18.110 1.00 82.79 56 A 1 ATOM 471 C C . LYS A 1 56 ? -13.528 -8.459 19.130 1.00 81.07 56 A 1 ATOM 472 O O . LYS A 1 56 ? -12.511 -9.120 19.307 1.00 74.20 56 A 1 ATOM 473 C CB . LYS A 1 56 ? -15.038 -10.351 18.382 1.00 78.48 56 A 1 ATOM 474 C CG . LYS A 1 56 ? -16.182 -10.753 17.433 1.00 70.01 56 A 1 ATOM 475 C CD . LYS A 1 56 ? -16.740 -12.129 17.803 1.00 65.52 56 A 1 ATOM 476 C CE . LYS A 1 56 ? -17.872 -12.479 16.830 1.00 59.75 56 A 1 ATOM 477 N NZ . LYS A 1 56 ? -18.491 -13.780 17.153 1.00 51.60 56 A 1 ATOM 478 N N . TYR A 1 57 ? -13.789 -7.329 19.771 1.00 75.61 57 A 1 ATOM 479 C CA . TYR A 1 57 ? -13.055 -6.954 20.968 1.00 71.27 57 A 1 ATOM 480 C C . TYR A 1 57 ? -13.567 -7.867 22.081 1.00 69.86 57 A 1 ATOM 481 O O . TYR A 1 57 ? -14.755 -7.885 22.385 1.00 64.71 57 A 1 ATOM 482 C CB . TYR A 1 57 ? -13.239 -5.461 21.258 1.00 66.36 57 A 1 ATOM 483 C CG . TYR A 1 57 ? -12.653 -4.582 20.168 1.00 60.53 57 A 1 ATOM 484 C CD1 . TYR A 1 57 ? -11.272 -4.294 20.157 1.00 56.94 57 A 1 ATOM 485 C CD2 . TYR A 1 57 ? -13.479 -4.071 19.149 1.00 54.78 57 A 1 ATOM 486 C CE1 . TYR A 1 57 ? -10.722 -3.505 19.128 1.00 50.80 57 A 1 ATOM 487 C CE2 . TYR A 1 57 ? -12.931 -3.283 18.115 1.00 52.27 57 A 1 ATOM 488 C CZ . TYR A 1 57 ? -11.553 -3.000 18.106 1.00 50.55 57 A 1 ATOM 489 O OH . TYR A 1 57 ? -11.019 -2.243 17.108 1.00 48.61 57 A 1 ATOM 490 N N . ASN A 1 58 ? -12.694 -8.675 22.640 1.00 65.89 58 A 1 ATOM 491 C CA . ASN A 1 58 ? -13.008 -9.322 23.905 1.00 64.50 58 A 1 ATOM 492 C C . ASN A 1 58 ? -13.051 -8.200 24.949 1.00 63.97 58 A 1 ATOM 493 O O . ASN A 1 58 ? -12.012 -7.777 25.439 1.00 59.05 58 A 1 ATOM 494 C CB . ASN A 1 58 ? -11.960 -10.398 24.261 1.00 60.22 58 A 1 ATOM 495 C CG . ASN A 1 58 ? -12.276 -11.784 23.721 1.00 54.02 58 A 1 ATOM 496 O OD1 . ASN A 1 58 ? -13.322 -12.073 23.178 1.00 49.77 58 A 1 ATOM 497 N ND2 . ASN A 1 58 ? -11.364 -12.710 23.882 1.00 47.33 58 A 1 ATOM 498 N N . ASP A 1 59 ? -14.264 -7.760 25.302 1.00 58.71 59 A 1 ATOM 499 C CA . ASP A 1 59 ? -14.549 -6.986 26.510 1.00 59.16 59 A 1 ATOM 500 C C . ASP A 1 59 ? -14.330 -7.868 27.750 1.00 57.65 59 A 1 ATOM 501 O O . ASP A 1 59 ? -15.217 -8.073 28.569 1.00 54.05 59 A 1 ATOM 502 C CB . ASP A 1 59 ? -15.983 -6.417 26.466 1.00 56.51 59 A 1 ATOM 503 C CG . ASP A 1 59 ? -16.197 -5.296 25.464 1.00 51.42 59 A 1 ATOM 504 O OD1 . ASP A 1 59 ? -15.235 -4.521 25.240 1.00 47.79 59 A 1 ATOM 505 O OD2 . ASP A 1 59 ? -17.341 -5.182 24.974 1.00 46.33 59 A 1 ATOM 506 N N . GLN A 1 60 ? -13.155 -8.455 27.877 1.00 57.64 60 A 1 ATOM 507 C CA . GLN A 1 60 ? -12.700 -8.911 29.175 1.00 57.68 60 A 1 ATOM 508 C C . GLN A 1 60 ? -12.250 -7.664 29.917 1.00 55.74 60 A 1 ATOM 509 O O . GLN A 1 60 ? -11.091 -7.266 29.873 1.00 52.00 60 A 1 ATOM 510 C CB . GLN A 1 60 ? -11.644 -10.016 29.083 1.00 55.39 60 A 1 ATOM 511 C CG . GLN A 1 60 ? -12.273 -11.297 28.510 1.00 49.61 60 A 1 ATOM 512 C CD . GLN A 1 60 ? -11.518 -12.572 28.883 1.00 45.62 60 A 1 ATOM 513 O OE1 . GLN A 1 60 ? -10.446 -12.581 29.465 1.00 45.53 60 A 1 ATOM 514 N NE2 . GLN A 1 60 ? -12.064 -13.716 28.563 1.00 42.92 60 A 1 ATOM 515 N N . LYS A 1 61 ? -13.238 -7.023 30.566 1.00 54.42 61 A 1 ATOM 516 C CA . LYS A 1 61 ? -13.030 -6.096 31.669 1.00 55.58 61 A 1 ATOM 517 C C . LYS A 1 61 ? -11.985 -6.715 32.606 1.00 52.65 61 A 1 ATOM 518 O O . LYS A 1 61 ? -12.196 -7.803 33.123 1.00 49.91 61 A 1 ATOM 519 C CB . LYS A 1 61 ? -14.360 -5.878 32.429 1.00 54.22 61 A 1 ATOM 520 C CG . LYS A 1 61 ? -15.338 -4.990 31.664 1.00 48.87 61 A 1 ATOM 521 C CD . LYS A 1 61 ? -16.645 -4.817 32.457 1.00 47.09 61 A 1 ATOM 522 C CE . LYS A 1 61 ? -17.576 -3.831 31.739 1.00 42.81 61 A 1 ATOM 523 N NZ . LYS A 1 61 ? -18.852 -3.663 32.461 1.00 38.59 61 A 1 ATOM 524 N N . LYS A 1 62 ? -10.865 -6.017 32.747 1.00 52.85 62 A 1 ATOM 525 C CA . LYS A 1 62 ? -10.009 -6.163 33.918 1.00 54.63 62 A 1 ATOM 526 C C . LYS A 1 62 ? -10.810 -5.854 35.178 1.00 48.86 62 A 1 ATOM 527 O O . LYS A 1 62 ? -11.672 -4.957 35.105 1.00 45.24 62 A 1 ATOM 528 C CB . LYS A 1 62 ? -8.806 -5.217 33.835 1.00 51.78 62 A 1 ATOM 529 C CG . LYS A 1 62 ? -7.723 -5.690 32.865 1.00 47.15 62 A 1 ATOM 530 C CD . LYS A 1 62 ? -6.548 -4.713 32.921 1.00 45.13 62 A 1 ATOM 531 C CE . LYS A 1 62 ? -5.387 -5.208 32.063 1.00 42.15 62 A 1 ATOM 532 N NZ . LYS A 1 62 ? -4.247 -4.269 32.132 1.00 37.87 62 A 1 ATOM 533 O OXT . LYS A 1 62 ? -10.486 -6.506 36.192 1.00 49.55 62 A 1 #