# 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_spkb36818 # _entry.id spkb36818 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(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 PHE 2 1 n ALA 3 1 n LYS 4 1 n LEU 5 1 n PHE 6 1 n LEU 7 1 n VAL 8 1 n SER 9 1 n VAL 10 1 n LEU 11 1 n LEU 12 1 n VAL 13 1 n GLY 14 1 n VAL 15 1 n ASN 16 1 n SER 17 # _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 @ 2025-07-09 20:03:21)" _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 92.16 _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 84.42 1 1 A PHE 2 2 89.20 1 2 A ALA 3 2 97.19 1 3 A LYS 4 2 89.80 1 4 A LEU 5 2 92.00 1 5 A PHE 6 2 92.26 1 6 A LEU 7 2 92.63 1 7 A VAL 8 2 96.03 1 8 A SER 9 2 94.72 1 9 A VAL 10 2 96.90 1 10 A LEU 11 2 94.14 1 11 A LEU 12 2 93.71 1 12 A VAL 13 2 96.32 1 13 A GLY 14 2 97.05 1 14 A VAL 15 2 93.49 1 15 A ASN 16 2 90.17 1 16 A SER 17 2 83.83 1 17 # _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 PHE . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n SER . 17 A 17 # _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 ? -1.572 12.022 3.107 1.00 88.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.894 10.986 2.111 1.00 91.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.237 9.655 2.476 1.00 92.91 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.821 8.891 1.606 1.00 90.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.412 11.432 0.725 1.00 84.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.072 12.727 0.291 1.00 79.22 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.459 13.297 -1.301 1.00 77.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.376 14.818 -1.464 1.00 71.68 1 A 1 ATOM 9 N N . PHE A 1 2 ? -1.148 9.395 3.757 1.00 91.11 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -0.534 8.170 4.272 1.00 94.68 2 A 1 ATOM 11 C C . PHE A 1 2 ? -1.389 6.943 3.956 1.00 96.56 2 A 1 ATOM 12 O O . PHE A 1 2 ? -0.863 5.864 3.691 1.00 96.03 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -0.333 8.298 5.779 1.00 92.79 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -1.526 8.920 6.467 1.00 89.09 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -2.598 8.137 6.865 1.00 86.44 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -1.566 10.285 6.695 1.00 85.76 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -3.702 8.704 7.487 1.00 83.83 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -2.674 10.865 7.317 1.00 83.63 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -3.736 10.069 7.712 1.00 81.23 2 A 1 ATOM 20 N N . ALA A 1 3 ? -2.709 7.102 3.981 1.00 96.91 3 A 1 ATOM 21 C CA . ALA A 1 3 ? -3.622 5.999 3.697 1.00 97.47 3 A 1 ATOM 22 C C . ALA A 1 3 ? -3.430 5.471 2.278 1.00 97.80 3 A 1 ATOM 23 O O . ALA A 1 3 ? -3.477 4.266 2.038 1.00 97.10 3 A 1 ATOM 24 C CB . ALA A 1 3 ? -5.058 6.465 3.903 1.00 96.66 3 A 1 ATOM 25 N N . LYS A 1 4 ? -3.223 6.378 1.343 1.00 97.62 4 A 1 ATOM 26 C CA . LYS A 1 4 ? -3.024 6.004 -0.060 1.00 97.33 4 A 1 ATOM 27 C C . LYS A 1 4 ? -1.780 5.132 -0.210 1.00 97.32 4 A 1 ATOM 28 O O . LYS A 1 4 ? -1.811 4.102 -0.883 1.00 96.82 4 A 1 ATOM 29 C CB . LYS A 1 4 ? -2.912 7.272 -0.910 1.00 96.81 4 A 1 ATOM 30 C CG . LYS A 1 4 ? -2.983 6.993 -2.405 1.00 89.34 4 A 1 ATOM 31 C CD . LYS A 1 4 ? -1.604 6.846 -3.016 1.00 84.29 4 A 1 ATOM 32 C CE . LYS A 1 4 ? -1.673 6.729 -4.530 1.00 79.10 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? -0.322 6.855 -5.148 1.00 69.53 4 A 1 ATOM 34 N N . LEU A 1 5 ? -0.693 5.530 0.417 1.00 95.36 5 A 1 ATOM 35 C CA . LEU A 1 5 ? 0.554 4.768 0.356 1.00 95.92 5 A 1 ATOM 36 C C . LEU A 1 5 ? 0.390 3.407 1.027 1.00 96.78 5 A 1 ATOM 37 O O . LEU A 1 5 ? 0.900 2.397 0.541 1.00 96.48 5 A 1 ATOM 38 C CB . LEU A 1 5 ? 1.673 5.553 1.041 1.00 95.52 5 A 1 ATOM 39 C CG . LEU A 1 5 ? 3.032 4.862 0.965 1.00 88.32 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? 3.510 4.774 -0.479 1.00 83.56 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? 4.050 5.624 1.804 1.00 84.10 5 A 1 ATOM 42 N N . PHE A 1 6 ? -0.320 3.380 2.144 1.00 95.22 6 A 1 ATOM 43 C CA . PHE A 1 6 ? -0.555 2.145 2.889 1.00 95.37 6 A 1 ATOM 44 C C . PHE A 1 6 ? -1.326 1.137 2.042 1.00 96.33 6 A 1 ATOM 45 O O . PHE A 1 6 ? -0.971 -0.039 1.985 1.00 95.91 6 A 1 ATOM 46 C CB . PHE A 1 6 ? -1.331 2.456 4.164 1.00 95.07 6 A 1 ATOM 47 C CG . PHE A 1 6 ? -1.544 1.232 5.016 1.00 92.93 6 A 1 ATOM 48 C CD1 . PHE A 1 6 ? -2.723 0.506 4.926 1.00 89.32 6 A 1 ATOM 49 C CD2 . PHE A 1 6 ? -0.552 0.810 5.884 1.00 89.87 6 A 1 ATOM 50 C CE1 . PHE A 1 6 ? -2.915 -0.632 5.698 1.00 87.93 6 A 1 ATOM 51 C CE2 . PHE A 1 6 ? -0.740 -0.332 6.659 1.00 88.30 6 A 1 ATOM 52 C CZ . PHE A 1 6 ? -1.921 -1.051 6.567 1.00 88.63 6 A 1 ATOM 53 N N . LEU A 1 7 ? -2.371 1.602 1.377 1.00 95.82 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -3.192 0.732 0.537 1.00 96.18 7 A 1 ATOM 55 C C . LEU A 1 7 ? -2.372 0.133 -0.602 1.00 96.83 7 A 1 ATOM 56 O O . LEU A 1 7 ? -2.478 -1.058 -0.896 1.00 96.97 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -4.365 1.529 -0.035 1.00 95.96 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -5.390 1.955 1.009 1.00 88.46 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -6.405 2.904 0.390 1.00 84.86 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -6.103 0.738 1.587 1.00 85.97 7 A 1 ATOM 61 N N . VAL A 1 8 ? -1.563 0.953 -1.236 1.00 97.46 8 A 1 ATOM 62 C CA . VAL A 1 8 ? -0.719 0.499 -2.343 1.00 97.29 8 A 1 ATOM 63 C C . VAL A 1 8 ? 0.288 -0.537 -1.856 1.00 97.50 8 A 1 ATOM 64 O O . VAL A 1 8 ? 0.514 -1.559 -2.507 1.00 96.93 8 A 1 ATOM 65 C CB . VAL A 1 8 ? 0.021 1.684 -2.987 1.00 96.59 8 A 1 ATOM 66 C CG1 . VAL A 1 8 ? 0.979 1.197 -4.071 1.00 93.28 8 A 1 ATOM 67 C CG2 . VAL A 1 8 ? -0.980 2.662 -3.587 1.00 93.19 8 A 1 ATOM 68 N N . SER A 1 9 ? 0.888 -0.283 -0.708 1.00 96.53 9 A 1 ATOM 69 C CA . SER A 1 9 ? 1.880 -1.192 -0.143 1.00 96.35 9 A 1 ATOM 70 C C . SER A 1 9 ? 1.264 -2.554 0.168 1.00 96.84 9 A 1 ATOM 71 O O . SER A 1 9 ? 1.828 -3.592 -0.170 1.00 96.32 9 A 1 ATOM 72 C CB . SER A 1 9 ? 2.471 -0.593 1.129 1.00 95.52 9 A 1 ATOM 73 O OG . SER A 1 9 ? 3.124 0.626 0.839 1.00 86.77 9 A 1 ATOM 74 N N . VAL A 1 10 ? 0.106 -2.543 0.804 1.00 97.97 10 A 1 ATOM 75 C CA . VAL A 1 10 ? -0.589 -3.784 1.154 1.00 97.85 10 A 1 ATOM 76 C C . VAL A 1 10 ? -0.964 -4.566 -0.098 1.00 98.03 10 A 1 ATOM 77 O O . VAL A 1 10 ? -0.830 -5.791 -0.143 1.00 97.35 10 A 1 ATOM 78 C CB . VAL A 1 10 ? -1.854 -3.484 1.974 1.00 97.16 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? -2.646 -4.760 2.231 1.00 95.02 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? -1.477 -2.830 3.291 1.00 94.93 10 A 1 ATOM 81 N N . LEU A 1 11 ? -1.435 -3.857 -1.108 1.00 97.74 11 A 1 ATOM 82 C CA . LEU A 1 11 ? -1.833 -4.491 -2.365 1.00 97.45 11 A 1 ATOM 83 C C . LEU A 1 11 ? -0.644 -5.181 -3.024 1.00 97.68 11 A 1 ATOM 84 O O . LEU A 1 11 ? -0.753 -6.324 -3.470 1.00 97.01 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -2.412 -3.438 -3.314 1.00 97.11 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -2.903 -4.016 -4.642 1.00 91.67 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -4.106 -4.920 -4.423 1.00 86.95 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -3.274 -2.887 -5.600 1.00 87.50 11 A 1 ATOM 89 N N . LEU A 1 12 ? 0.484 -4.492 -3.085 1.00 97.53 12 A 1 ATOM 90 C CA . LEU A 1 12 ? 1.685 -5.043 -3.709 1.00 97.23 12 A 1 ATOM 91 C C . LEU A 1 12 ? 2.164 -6.286 -2.972 1.00 97.35 12 A 1 ATOM 92 O O . LEU A 1 12 ? 2.521 -7.289 -3.593 1.00 96.61 12 A 1 ATOM 93 C CB . LEU A 1 12 ? 2.789 -3.983 -3.717 1.00 96.61 12 A 1 ATOM 94 C CG . LEU A 1 12 ? 2.508 -2.806 -4.652 1.00 91.31 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? 3.543 -1.710 -4.439 1.00 86.82 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? 2.519 -3.259 -6.106 1.00 86.19 12 A 1 ATOM 97 N N . VAL A 1 13 ? 2.167 -6.231 -1.653 1.00 97.93 13 A 1 ATOM 98 C CA . VAL A 1 13 ? 2.600 -7.364 -0.836 1.00 97.55 13 A 1 ATOM 99 C C . VAL A 1 13 ? 1.669 -8.555 -1.026 1.00 97.75 13 A 1 ATOM 100 O O . VAL A 1 13 ? 2.117 -9.695 -1.169 1.00 96.79 13 A 1 ATOM 101 C CB . VAL A 1 13 ? 2.655 -6.969 0.646 1.00 96.46 13 A 1 ATOM 102 C CG1 . VAL A 1 13 ? 2.996 -8.175 1.511 1.00 93.50 13 A 1 ATOM 103 C CG2 . VAL A 1 13 ? 3.684 -5.871 0.856 1.00 94.25 13 A 1 ATOM 104 N N . GLY A 1 14 ? 0.370 -8.290 -1.020 1.00 97.33 14 A 1 ATOM 105 C CA . GLY A 1 14 ? -0.612 -9.354 -1.181 1.00 97.06 14 A 1 ATOM 106 C C . GLY A 1 14 ? -0.536 -10.006 -2.548 1.00 97.34 14 A 1 ATOM 107 O O . GLY A 1 14 ? -0.588 -11.231 -2.667 1.00 96.46 14 A 1 ATOM 108 N N . VAL A 1 15 ? -0.418 -9.200 -3.592 1.00 96.59 15 A 1 ATOM 109 C CA . VAL A 1 15 ? -0.334 -9.712 -4.963 1.00 96.10 15 A 1 ATOM 110 C C . VAL A 1 15 ? 0.991 -10.430 -5.202 1.00 96.28 15 A 1 ATOM 111 O O . VAL A 1 15 ? 1.031 -11.486 -5.840 1.00 94.75 15 A 1 ATOM 112 C CB . VAL A 1 15 ? -0.493 -8.570 -5.980 1.00 94.52 15 A 1 ATOM 113 C CG1 . VAL A 1 15 ? -0.288 -9.086 -7.400 1.00 88.34 15 A 1 ATOM 114 C CG2 . VAL A 1 15 ? -1.868 -7.943 -5.856 1.00 87.88 15 A 1 ATOM 115 N N . ASN A 1 16 ? 2.063 -9.851 -4.697 1.00 95.01 16 A 1 ATOM 116 C CA . ASN A 1 16 ? 3.396 -10.433 -4.869 1.00 94.84 16 A 1 ATOM 117 C C . ASN A 1 16 ? 3.531 -11.757 -4.127 1.00 94.83 16 A 1 ATOM 118 O O . ASN A 1 16 ? 4.227 -12.669 -4.587 1.00 92.58 16 A 1 ATOM 119 C CB . ASN A 1 16 ? 4.457 -9.456 -4.359 1.00 92.92 16 A 1 ATOM 120 C CG . ASN A 1 16 ? 5.851 -9.974 -4.613 1.00 88.05 16 A 1 ATOM 121 O OD1 . ASN A 1 16 ? 6.524 -10.437 -3.709 1.00 82.22 16 A 1 ATOM 122 N ND2 . ASN A 1 16 ? 6.300 -9.903 -5.852 1.00 80.91 16 A 1 ATOM 123 N N . SER A 1 17 ? 2.876 -11.874 -2.980 1.00 91.27 17 A 1 ATOM 124 C CA . SER A 1 17 ? 2.939 -13.082 -2.158 1.00 89.27 17 A 1 ATOM 125 C C . SER A 1 17 ? 2.532 -14.322 -2.952 1.00 86.08 17 A 1 ATOM 126 O O . SER A 1 17 ? 1.610 -14.238 -3.771 1.00 79.47 17 A 1 ATOM 127 C CB . SER A 1 17 ? 2.034 -12.933 -0.937 1.00 84.02 17 A 1 ATOM 128 O OG . SER A 1 17 ? 2.477 -11.868 -0.114 1.00 77.80 17 A 1 ATOM 129 O OXT . SER A 1 17 ? 3.127 -15.393 -2.744 1.00 78.89 17 A 1 #