# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb15274 # _entry.id spkb15274 # 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](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 PRO 3 1 n SER 4 1 n ALA 5 1 n ASP 6 1 n PRO 7 1 n GLY 8 1 n MET 9 1 n SER 10 1 n ARG 11 1 n MET 12 1 n LEU 13 1 n PRO 14 1 n PHE 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n TRP 20 1 n PHE 21 1 n LEU 22 1 n PRO 23 1 n ILE 24 1 n THR 25 1 n GLU 26 1 n GLY 27 # _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 (3.0.0 @ 2025-07-05 22:46:07)" _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 81.01 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 68.90 1 1 A ALA 2 2 69.97 1 2 A PRO 3 2 72.21 1 3 A SER 4 2 69.18 1 4 A ALA 5 2 71.32 1 5 A ASP 6 2 72.39 1 6 A PRO 7 2 80.86 1 7 A GLY 8 2 80.47 1 8 A MET 9 2 75.29 1 9 A SER 10 2 83.58 1 10 A ARG 11 2 79.93 1 11 A MET 12 2 82.74 1 12 A LEU 13 2 86.85 1 13 A PRO 14 2 91.01 1 14 A PHE 15 2 85.17 1 15 A LEU 16 2 88.74 1 16 A LEU 17 2 88.61 1 17 A LEU 18 2 87.80 1 18 A LEU 19 2 88.46 1 19 A TRP 20 2 86.09 1 20 A PHE 21 2 86.05 1 21 A LEU 22 2 88.04 1 22 A PRO 23 2 88.47 1 23 A ILE 24 2 81.81 1 24 A THR 25 2 78.05 1 25 A GLU 26 2 69.34 1 26 A GLY 27 2 64.81 1 27 # _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 https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use 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 PRO . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ASP . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n MET . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n GLY . 27 A 27 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _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 ? -24.523 -6.205 -0.174 1.00 71.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -23.600 -5.371 0.620 1.00 75.90 1 A 1 ATOM 3 C C . MET A 1 1 ? -22.210 -5.951 0.433 1.00 77.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -22.040 -7.138 0.680 1.00 71.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? -24.002 -5.374 2.101 1.00 71.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? -25.257 -4.519 2.338 1.00 66.37 1 A 1 ATOM 7 S SD . MET A 1 1 ? -25.852 -4.619 4.051 1.00 62.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? -27.136 -3.353 4.034 1.00 54.55 1 A 1 ATOM 9 N N . ALA A 1 2 ? -21.267 -5.176 -0.084 1.00 70.22 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -19.880 -5.630 -0.150 1.00 71.55 2 A 1 ATOM 11 C C . ALA A 1 2 ? -19.355 -5.822 1.286 1.00 72.76 2 A 1 ATOM 12 O O . ALA A 1 2 ? -19.757 -5.056 2.170 1.00 68.56 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -19.052 -4.605 -0.934 1.00 66.74 2 A 1 ATOM 14 N N . PRO A 1 3 ? -18.517 -6.837 1.548 1.00 72.97 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -17.883 -6.974 2.849 1.00 74.47 3 A 1 ATOM 16 C C . PRO A 1 3 ? -17.106 -5.685 3.117 1.00 76.61 3 A 1 ATOM 17 O O . PRO A 1 3 ? -16.226 -5.307 2.343 1.00 71.15 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -16.994 -8.224 2.752 1.00 70.43 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -16.716 -8.375 1.259 1.00 68.56 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -17.963 -7.792 0.593 1.00 71.26 3 A 1 ATOM 21 N N . SER A 1 4 ? -17.495 -4.962 4.171 1.00 71.97 4 A 1 ATOM 22 C CA . SER A 1 4 ? -16.785 -3.766 4.599 1.00 73.72 4 A 1 ATOM 23 C C . SER A 1 4 ? -15.372 -4.200 4.957 1.00 74.84 4 A 1 ATOM 24 O O . SER A 1 4 ? -15.183 -4.920 5.935 1.00 68.72 4 A 1 ATOM 25 C CB . SER A 1 4 ? -17.494 -3.123 5.794 1.00 68.25 4 A 1 ATOM 26 O OG . SER A 1 4 ? -16.910 -1.876 6.095 1.00 57.57 4 A 1 ATOM 27 N N . ALA A 1 5 ? -14.393 -3.827 4.120 1.00 72.58 5 A 1 ATOM 28 C CA . ALA A 1 5 ? -12.996 -4.072 4.436 1.00 72.55 5 A 1 ATOM 29 C C . ALA A 1 5 ? -12.699 -3.477 5.815 1.00 75.47 5 A 1 ATOM 30 O O . ALA A 1 5 ? -13.179 -2.389 6.137 1.00 69.59 5 A 1 ATOM 31 C CB . ALA A 1 5 ? -12.115 -3.475 3.339 1.00 66.43 5 A 1 ATOM 32 N N . ASP A 1 6 ? -11.949 -4.203 6.632 1.00 75.83 6 A 1 ATOM 33 C CA . ASP A 1 6 ? -11.579 -3.742 7.964 1.00 79.61 6 A 1 ATOM 34 C C . ASP A 1 6 ? -10.987 -2.327 7.862 1.00 82.96 6 A 1 ATOM 35 O O . ASP A 1 6 ? -10.043 -2.112 7.091 1.00 77.49 6 A 1 ATOM 36 C CB . ASP A 1 6 ? -10.600 -4.740 8.594 1.00 73.28 6 A 1 ATOM 37 C CG . ASP A 1 6 ? -10.318 -4.388 10.045 1.00 65.23 6 A 1 ATOM 38 O OD1 . ASP A 1 6 ? -9.666 -3.350 10.257 1.00 61.35 6 A 1 ATOM 39 O OD2 . ASP A 1 6 ? -10.772 -5.139 10.923 1.00 63.39 6 A 1 ATOM 40 N N . PRO A 1 7 ? -11.530 -1.338 8.586 1.00 82.61 7 A 1 ATOM 41 C CA . PRO A 1 7 ? -11.074 0.048 8.484 1.00 84.46 7 A 1 ATOM 42 C C . PRO A 1 7 ? -9.592 0.197 8.847 1.00 87.06 7 A 1 ATOM 43 O O . PRO A 1 7 ? -8.927 1.098 8.335 1.00 78.79 7 A 1 ATOM 44 C CB . PRO A 1 7 ? -11.995 0.834 9.430 1.00 79.28 7 A 1 ATOM 45 C CG . PRO A 1 7 ? -12.542 -0.211 10.397 1.00 75.66 7 A 1 ATOM 46 C CD . PRO A 1 7 ? -12.611 -1.468 9.549 1.00 78.18 7 A 1 ATOM 47 N N . GLY A 1 8 ? -9.053 -0.692 9.668 1.00 79.04 8 A 1 ATOM 48 C CA . GLY A 1 8 ? -7.624 -0.765 9.968 1.00 80.80 8 A 1 ATOM 49 C C . GLY A 1 8 ? -6.807 -1.199 8.757 1.00 83.87 8 A 1 ATOM 50 O O . GLY A 1 8 ? -5.810 -0.553 8.428 1.00 78.15 8 A 1 ATOM 51 N N . MET A 1 9 ? -7.253 -2.233 8.030 1.00 80.55 9 A 1 ATOM 52 C CA . MET A 1 9 ? -6.597 -2.688 6.799 1.00 83.11 9 A 1 ATOM 53 C C . MET A 1 9 ? -6.646 -1.625 5.704 1.00 86.17 9 A 1 ATOM 54 O O . MET A 1 9 ? -5.625 -1.344 5.075 1.00 81.08 9 A 1 ATOM 55 C CB . MET A 1 9 ? -7.254 -3.987 6.305 1.00 78.95 9 A 1 ATOM 56 C CG . MET A 1 9 ? -6.743 -5.202 7.076 1.00 71.35 9 A 1 ATOM 57 S SD . MET A 1 9 ? -5.043 -5.626 6.627 1.00 63.63 9 A 1 ATOM 58 C CE . MET A 1 9 ? -4.808 -7.078 7.666 1.00 57.47 9 A 1 ATOM 59 N N . SER A 1 10 ? -7.797 -0.962 5.516 1.00 85.01 10 A 1 ATOM 60 C CA . SER A 1 10 ? -7.930 0.133 4.551 1.00 87.55 10 A 1 ATOM 61 C C . SER A 1 10 ? -6.980 1.294 4.850 1.00 89.45 10 A 1 ATOM 62 O O . SER A 1 10 ? -6.485 1.937 3.930 1.00 85.38 10 A 1 ATOM 63 C CB . SER A 1 10 ? -9.364 0.651 4.533 1.00 83.01 10 A 1 ATOM 64 O OG . SER A 1 10 ? -10.235 -0.356 4.057 1.00 71.09 10 A 1 ATOM 65 N N . ARG A 1 11 ? -6.686 1.549 6.127 1.00 89.59 11 A 1 ATOM 66 C CA . ARG A 1 11 ? -5.733 2.588 6.541 1.00 91.57 11 A 1 ATOM 67 C C . ARG A 1 11 ? -4.280 2.130 6.405 1.00 92.76 11 A 1 ATOM 68 O O . ARG A 1 11 ? -3.407 2.967 6.197 1.00 90.67 11 A 1 ATOM 69 C CB . ARG A 1 11 ? -6.071 3.031 7.970 1.00 89.88 11 A 1 ATOM 70 C CG . ARG A 1 11 ? -5.353 4.330 8.342 1.00 81.72 11 A 1 ATOM 71 C CD . ARG A 1 11 ? -5.837 4.825 9.703 1.00 80.04 11 A 1 ATOM 72 N NE . ARG A 1 11 ? -5.239 6.129 10.034 1.00 72.75 11 A 1 ATOM 73 C CZ . ARG A 1 11 ? -5.597 6.913 11.037 1.00 67.96 11 A 1 ATOM 74 N NH1 . ARG A 1 11 ? -6.537 6.574 11.875 1.00 62.23 11 A 1 ATOM 75 N NH2 . ARG A 1 11 ? -5.002 8.064 11.211 1.00 60.03 11 A 1 ATOM 76 N N . MET A 1 12 ? -4.000 0.829 6.510 1.00 89.10 12 A 1 ATOM 77 C CA . MET A 1 12 ? -2.648 0.278 6.361 1.00 90.54 12 A 1 ATOM 78 C C . MET A 1 12 ? -2.213 0.137 4.900 1.00 92.39 12 A 1 ATOM 79 O O . MET A 1 12 ? -1.022 0.260 4.621 1.00 89.54 12 A 1 ATOM 80 C CB . MET A 1 12 ? -2.539 -1.067 7.076 1.00 87.01 12 A 1 ATOM 81 C CG . MET A 1 12 ? -2.340 -0.874 8.578 1.00 78.63 12 A 1 ATOM 82 S SD . MET A 1 12 ? -2.058 -2.432 9.437 1.00 71.35 12 A 1 ATOM 83 C CE . MET A 1 12 ? -1.343 -1.813 10.971 1.00 63.33 12 A 1 ATOM 84 N N . LEU A 1 13 ? -3.152 -0.044 3.969 1.00 91.48 13 A 1 ATOM 85 C CA . LEU A 1 13 ? -2.871 -0.155 2.536 1.00 91.82 13 A 1 ATOM 86 C C . LEU A 1 13 ? -1.936 0.945 1.992 1.00 93.11 13 A 1 ATOM 87 O O . LEU A 1 13 ? -0.937 0.592 1.363 1.00 92.49 13 A 1 ATOM 88 C CB . LEU A 1 13 ? -4.191 -0.190 1.753 1.00 90.40 13 A 1 ATOM 89 C CG . LEU A 1 13 ? -4.859 -1.573 1.711 1.00 81.47 13 A 1 ATOM 90 C CD1 . LEU A 1 13 ? -6.272 -1.441 1.144 1.00 77.50 13 A 1 ATOM 91 C CD2 . LEU A 1 13 ? -4.074 -2.546 0.832 1.00 76.53 13 A 1 ATOM 92 N N . PRO A 1 14 ? -2.182 2.249 2.231 1.00 91.95 14 A 1 ATOM 93 C CA . PRO A 1 14 ? -1.279 3.291 1.734 1.00 91.96 14 A 1 ATOM 94 C C . PRO A 1 14 ? 0.122 3.203 2.351 1.00 92.76 14 A 1 ATOM 95 O O . PRO A 1 14 ? 1.097 3.472 1.653 1.00 90.65 14 A 1 ATOM 96 C CB . PRO A 1 14 ? -1.966 4.623 2.056 1.00 90.04 14 A 1 ATOM 97 C CG . PRO A 1 14 ? -2.908 4.292 3.203 1.00 88.47 14 A 1 ATOM 98 C CD . PRO A 1 14 ? -3.320 2.852 2.891 1.00 91.21 14 A 1 ATOM 99 N N . PHE A 1 15 ? 0.260 2.778 3.608 1.00 90.99 15 A 1 ATOM 100 C CA . PHE A 1 15 ? 1.566 2.590 4.239 1.00 90.92 15 A 1 ATOM 101 C C . PHE A 1 15 ? 2.315 1.402 3.636 1.00 91.69 15 A 1 ATOM 102 O O . PHE A 1 15 ? 3.517 1.498 3.394 1.00 90.68 15 A 1 ATOM 103 C CB . PHE A 1 15 ? 1.414 2.403 5.749 1.00 90.42 15 A 1 ATOM 104 C CG . PHE A 1 15 ? 0.947 3.645 6.473 1.00 85.60 15 A 1 ATOM 105 C CD1 . PHE A 1 15 ? 1.855 4.684 6.735 1.00 81.44 15 A 1 ATOM 106 C CD2 . PHE A 1 15 ? -0.384 3.764 6.890 1.00 80.83 15 A 1 ATOM 107 C CE1 . PHE A 1 15 ? 1.433 5.839 7.411 1.00 77.83 15 A 1 ATOM 108 C CE2 . PHE A 1 15 ? -0.811 4.921 7.564 1.00 77.94 15 A 1 ATOM 109 C CZ . PHE A 1 15 ? 0.098 5.961 7.825 1.00 78.48 15 A 1 ATOM 110 N N . LEU A 1 16 ? 1.619 0.298 3.340 1.00 92.56 16 A 1 ATOM 111 C CA . LEU A 1 16 ? 2.209 -0.861 2.673 1.00 92.10 16 A 1 ATOM 112 C C . LEU A 1 16 ? 2.677 -0.507 1.258 1.00 92.23 16 A 1 ATOM 113 O O . LEU A 1 16 ? 3.763 -0.921 0.859 1.00 91.44 16 A 1 ATOM 114 C CB . LEU A 1 16 ? 1.188 -2.007 2.634 1.00 91.89 16 A 1 ATOM 115 C CG . LEU A 1 16 ? 0.887 -2.627 4.010 1.00 85.60 16 A 1 ATOM 116 C CD1 . LEU A 1 16 ? -0.263 -3.621 3.875 1.00 82.20 16 A 1 ATOM 117 C CD2 . LEU A 1 16 ? 2.099 -3.359 4.588 1.00 81.90 16 A 1 ATOM 118 N N . LEU A 1 17 ? 1.908 0.298 0.529 1.00 92.72 17 A 1 ATOM 119 C CA . LEU A 1 17 ? 2.315 0.807 -0.779 1.00 91.71 17 A 1 ATOM 120 C C . LEU A 1 17 ? 3.569 1.681 -0.663 1.00 91.67 17 A 1 ATOM 121 O O . LEU A 1 17 ? 4.522 1.466 -1.403 1.00 90.55 17 A 1 ATOM 122 C CB . LEU A 1 17 ? 1.157 1.588 -1.418 1.00 91.14 17 A 1 ATOM 123 C CG . LEU A 1 17 ? 0.009 0.694 -1.921 1.00 85.30 17 A 1 ATOM 124 C CD1 . LEU A 1 17 ? -1.192 1.561 -2.300 1.00 82.85 17 A 1 ATOM 125 C CD2 . LEU A 1 17 ? 0.418 -0.121 -3.148 1.00 82.92 17 A 1 ATOM 126 N N . LEU A 1 18 ? 3.623 2.608 0.295 1.00 92.01 18 A 1 ATOM 127 C CA . LEU A 1 18 ? 4.811 3.434 0.524 1.00 91.23 18 A 1 ATOM 128 C C . LEU A 1 18 ? 6.044 2.580 0.845 1.00 91.01 18 A 1 ATOM 129 O O . LEU A 1 18 ? 7.098 2.796 0.250 1.00 89.62 18 A 1 ATOM 130 C CB . LEU A 1 18 ? 4.543 4.431 1.659 1.00 90.60 18 A 1 ATOM 131 C CG . LEU A 1 18 ? 3.618 5.594 1.265 1.00 84.30 18 A 1 ATOM 132 C CD1 . LEU A 1 18 ? 3.209 6.366 2.520 1.00 81.75 18 A 1 ATOM 133 C CD2 . LEU A 1 18 ? 4.297 6.564 0.297 1.00 81.88 18 A 1 ATOM 134 N N . LEU A 1 19 ? 5.914 1.567 1.709 1.00 92.31 19 A 1 ATOM 135 C CA . LEU A 1 19 ? 7.001 0.637 2.037 1.00 91.46 19 A 1 ATOM 136 C C . LEU A 1 19 ? 7.446 -0.184 0.824 1.00 91.41 19 A 1 ATOM 137 O O . LEU A 1 19 ? 8.631 -0.480 0.695 1.00 89.83 19 A 1 ATOM 138 C CB . LEU A 1 19 ? 6.544 -0.302 3.168 1.00 90.71 19 A 1 ATOM 139 C CG . LEU A 1 19 ? 6.452 0.371 4.550 1.00 86.34 19 A 1 ATOM 140 C CD1 . LEU A 1 19 ? 5.765 -0.587 5.528 1.00 83.23 19 A 1 ATOM 141 C CD2 . LEU A 1 19 ? 7.830 0.725 5.111 1.00 82.42 19 A 1 ATOM 142 N N . TRP A 1 20 ? 6.519 -0.528 -0.075 1.00 91.77 20 A 1 ATOM 143 C CA . TRP A 1 20 ? 6.838 -1.232 -1.320 1.00 91.79 20 A 1 ATOM 144 C C . TRP A 1 20 ? 7.628 -0.353 -2.295 1.00 92.49 20 A 1 ATOM 145 O O . TRP A 1 20 ? 8.524 -0.848 -2.978 1.00 90.87 20 A 1 ATOM 146 C CB . TRP A 1 20 ? 5.534 -1.722 -1.957 1.00 91.21 20 A 1 ATOM 147 C CG . TRP A 1 20 ? 5.738 -2.493 -3.218 1.00 89.24 20 A 1 ATOM 148 C CD1 . TRP A 1 20 ? 5.765 -1.972 -4.470 1.00 83.40 20 A 1 ATOM 149 C CD2 . TRP A 1 20 ? 5.996 -3.920 -3.366 1.00 85.21 20 A 1 ATOM 150 N NE1 . TRP A 1 20 ? 6.030 -2.981 -5.393 1.00 82.03 20 A 1 ATOM 151 C CE2 . TRP A 1 20 ? 6.178 -4.199 -4.755 1.00 84.07 20 A 1 ATOM 152 C CE3 . TRP A 1 20 ? 6.102 -4.999 -2.460 1.00 82.65 20 A 1 ATOM 153 C CZ2 . TRP A 1 20 ? 6.455 -5.498 -5.224 1.00 83.41 20 A 1 ATOM 154 C CZ3 . TRP A 1 20 ? 6.370 -6.293 -2.928 1.00 78.23 20 A 1 ATOM 155 C CH2 . TRP A 1 20 ? 6.546 -6.543 -4.297 1.00 78.91 20 A 1 ATOM 156 N N . PHE A 1 21 ? 7.312 0.942 -2.370 1.00 92.46 21 A 1 ATOM 157 C CA . PHE A 1 21 ? 8.007 1.878 -3.258 1.00 91.31 21 A 1 ATOM 158 C C . PHE A 1 21 ? 9.318 2.405 -2.657 1.00 91.57 21 A 1 ATOM 159 O O . PHE A 1 21 ? 10.229 2.751 -3.415 1.00 89.35 21 A 1 ATOM 160 C CB . PHE A 1 21 ? 7.062 3.025 -3.641 1.00 90.05 21 A 1 ATOM 161 C CG . PHE A 1 21 ? 5.965 2.621 -4.614 1.00 87.90 21 A 1 ATOM 162 C CD1 . PHE A 1 21 ? 6.297 2.237 -5.920 1.00 82.58 21 A 1 ATOM 163 C CD2 . PHE A 1 21 ? 4.625 2.617 -4.212 1.00 81.92 21 A 1 ATOM 164 C CE1 . PHE A 1 21 ? 5.298 1.830 -6.818 1.00 80.03 21 A 1 ATOM 165 C CE2 . PHE A 1 21 ? 3.623 2.208 -5.108 1.00 79.33 21 A 1 ATOM 166 C CZ . PHE A 1 21 ? 3.958 1.810 -6.408 1.00 80.09 21 A 1 ATOM 167 N N . LEU A 1 22 ? 9.458 2.421 -1.322 1.00 92.81 22 A 1 ATOM 168 C CA . LEU A 1 22 ? 10.658 2.892 -0.618 1.00 92.03 22 A 1 ATOM 169 C C . LEU A 1 22 ? 11.961 2.247 -1.130 1.00 91.98 22 A 1 ATOM 170 O O . LEU A 1 22 ? 12.878 2.986 -1.500 1.00 89.30 22 A 1 ATOM 171 C CB . LEU A 1 22 ? 10.474 2.682 0.898 1.00 90.37 22 A 1 ATOM 172 C CG . LEU A 1 22 ? 11.282 3.675 1.748 1.00 86.27 22 A 1 ATOM 173 C CD1 . LEU A 1 22 ? 10.533 5.006 1.879 1.00 81.25 22 A 1 ATOM 174 C CD2 . LEU A 1 22 ? 11.502 3.106 3.148 1.00 80.33 22 A 1 ATOM 175 N N . PRO A 1 23 ? 12.070 0.900 -1.231 1.00 90.66 23 A 1 ATOM 176 C CA . PRO A 1 23 ? 13.307 0.262 -1.693 1.00 90.61 23 A 1 ATOM 177 C C . PRO A 1 23 ? 13.618 0.541 -3.169 1.00 89.97 23 A 1 ATOM 178 O O . PRO A 1 23 ? 14.763 0.395 -3.584 1.00 85.96 23 A 1 ATOM 179 C CB . PRO A 1 23 ? 13.103 -1.236 -1.431 1.00 88.09 23 A 1 ATOM 180 C CG . PRO A 1 23 ? 11.593 -1.413 -1.478 1.00 85.36 23 A 1 ATOM 181 C CD . PRO A 1 23 ? 11.095 -0.105 -0.871 1.00 88.64 23 A 1 ATOM 182 N N . ILE A 1 24 ? 12.639 0.950 -3.965 1.00 88.50 24 A 1 ATOM 183 C CA . ILE A 1 24 ? 12.840 1.315 -5.373 1.00 87.13 24 A 1 ATOM 184 C C . ILE A 1 24 ? 13.494 2.699 -5.475 1.00 86.35 24 A 1 ATOM 185 O O . ILE A 1 24 ? 14.234 2.966 -6.418 1.00 83.83 24 A 1 ATOM 186 C CB . ILE A 1 24 ? 11.502 1.260 -6.150 1.00 84.71 24 A 1 ATOM 187 C CG1 . ILE A 1 24 ? 10.821 -0.125 -5.996 1.00 78.16 24 A 1 ATOM 188 C CG2 . ILE A 1 24 ? 11.718 1.585 -7.639 1.00 75.90 24 A 1 ATOM 189 C CD1 . ILE A 1 24 ? 9.422 -0.210 -6.616 1.00 69.87 24 A 1 ATOM 190 N N . THR A 1 25 ? 13.230 3.580 -4.501 1.00 84.88 25 A 1 ATOM 191 C CA . THR A 1 25 ? 13.796 4.938 -4.484 1.00 82.97 25 A 1 ATOM 192 C C . THR A 1 25 ? 15.192 5.003 -3.857 1.00 80.91 25 A 1 ATOM 193 O O . THR A 1 25 ? 15.901 5.983 -4.088 1.00 77.09 25 A 1 ATOM 194 C CB . THR A 1 25 ? 12.862 5.917 -3.764 1.00 79.39 25 A 1 ATOM 195 O OG1 . THR A 1 25 ? 12.489 5.465 -2.487 1.00 71.81 25 A 1 ATOM 196 C CG2 . THR A 1 25 ? 11.566 6.134 -4.549 1.00 69.33 25 A 1 ATOM 197 N N . GLU A 1 26 ? 15.600 3.992 -3.091 1.00 80.66 26 A 1 ATOM 198 C CA . GLU A 1 26 ? 16.933 3.913 -2.468 1.00 78.54 26 A 1 ATOM 199 C C . GLU A 1 26 ? 17.959 3.127 -3.313 1.00 74.76 26 A 1 ATOM 200 O O . GLU A 1 26 ? 19.116 2.998 -2.902 1.00 66.73 26 A 1 ATOM 201 C CB . GLU A 1 26 ? 16.827 3.334 -1.046 1.00 74.56 26 A 1 ATOM 202 C CG . GLU A 1 26 ? 16.047 4.261 -0.092 1.00 66.55 26 A 1 ATOM 203 C CD . GLU A 1 26 ? 16.319 3.955 1.394 1.00 64.09 26 A 1 ATOM 204 O OE1 . GLU A 1 26 ? 16.246 4.908 2.204 1.00 57.93 26 A 1 ATOM 205 O OE2 . GLU A 1 26 ? 16.582 2.777 1.739 1.00 60.20 26 A 1 ATOM 206 N N . GLY A 1 27 ? 17.569 2.632 -4.489 1.00 76.46 27 A 1 ATOM 207 C CA . GLY A 1 27 ? 18.421 1.881 -5.417 1.00 70.15 27 A 1 ATOM 208 C C . GLY A 1 27 ? 18.952 2.729 -6.565 1.00 61.69 27 A 1 ATOM 209 O O . GLY A 1 27 ? 18.221 3.614 -7.040 1.00 54.51 27 A 1 ATOM 210 O OXT . GLY A 1 27 ? 20.106 2.456 -7.016 1.00 61.23 27 A 1 #