# 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_spkb24234 # _entry.id spkb24234 # 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 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" "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" "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 ILE 2 1 n TRP 3 1 n THR 4 1 n LEU 5 1 n ALA 6 1 n PRO 7 1 n PHE 8 1 n VAL 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n PRO 13 1 n LEU 14 1 n VAL 15 1 n THR 16 1 n ALA 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 18:50:09)" _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 87.42 _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 77.17 1 1 A ILE 2 2 80.03 1 2 A TRP 3 2 80.44 1 3 A THR 4 2 85.02 1 4 A LEU 5 2 86.05 1 5 A ALA 6 2 91.58 1 6 A PRO 7 2 93.04 1 7 A PHE 8 2 88.13 1 8 A VAL 9 2 91.70 1 9 A ALA 10 2 92.99 1 10 A LEU 11 2 91.00 1 11 A LEU 12 2 89.59 1 12 A PRO 13 2 92.93 1 13 A LEU 14 2 91.04 1 14 A VAL 15 2 91.16 1 15 A THR 16 2 88.11 1 16 A ALA 17 2 86.75 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 ILE . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 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 ? -3.701 8.715 13.620 1.00 82.04 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.885 7.863 12.423 1.00 82.87 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.537 7.312 11.955 1.00 84.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.945 7.816 11.009 1.00 83.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.513 8.688 11.301 1.00 78.28 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.808 9.324 11.753 1.00 73.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.476 10.416 10.495 1.00 70.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.615 11.363 11.486 1.00 62.82 1 A 1 ATOM 9 N N . ILE A 1 2 ? -2.072 6.271 12.627 1.00 80.97 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -0.799 5.653 12.285 1.00 84.19 2 A 1 ATOM 11 C C . ILE A 1 2 ? -0.982 4.408 11.417 1.00 86.97 2 A 1 ATOM 12 O O . ILE A 1 2 ? -0.054 3.956 10.753 1.00 84.33 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -0.056 5.272 13.573 1.00 81.62 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 1.336 4.743 13.241 1.00 77.13 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -0.844 4.213 14.336 1.00 76.34 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 2.287 5.858 12.866 1.00 68.73 2 A 1 ATOM 17 N N . TRP A 1 3 ? -2.184 3.863 11.417 1.00 86.11 3 A 1 ATOM 18 C CA . TRP A 1 3 ? -2.489 2.659 10.641 1.00 86.24 3 A 1 ATOM 19 C C . TRP A 1 3 ? -2.798 3.004 9.183 1.00 87.86 3 A 1 ATOM 20 O O . TRP A 1 3 ? -2.853 2.122 8.337 1.00 85.46 3 A 1 ATOM 21 C CB . TRP A 1 3 ? -3.670 1.919 11.273 1.00 84.12 3 A 1 ATOM 22 C CG . TRP A 1 3 ? -4.913 2.768 11.387 1.00 80.62 3 A 1 ATOM 23 C CD1 . TRP A 1 3 ? -5.108 4.022 10.910 1.00 78.96 3 A 1 ATOM 24 C CD2 . TRP A 1 3 ? -6.161 2.397 12.024 1.00 80.98 3 A 1 ATOM 25 N NE1 . TRP A 1 3 ? -6.381 4.468 11.202 1.00 76.46 3 A 1 ATOM 26 C CE2 . TRP A 1 3 ? -7.049 3.479 11.893 1.00 80.07 3 A 1 ATOM 27 C CE3 . TRP A 1 3 ? -6.599 1.252 12.688 1.00 76.71 3 A 1 ATOM 28 C CZ2 . TRP A 1 3 ? -8.350 3.448 12.405 1.00 77.14 3 A 1 ATOM 29 C CZ3 . TRP A 1 3 ? -7.893 1.211 13.201 1.00 73.09 3 A 1 ATOM 30 C CH2 . TRP A 1 3 ? -8.757 2.303 13.057 1.00 72.37 3 A 1 ATOM 31 N N . THR A 1 4 ? -2.985 4.266 8.902 1.00 87.50 4 A 1 ATOM 32 C CA . THR A 1 4 ? -3.286 4.707 7.538 1.00 87.78 4 A 1 ATOM 33 C C . THR A 1 4 ? -2.071 4.533 6.633 1.00 88.47 4 A 1 ATOM 34 O O . THR A 1 4 ? -2.188 4.513 5.411 1.00 86.81 4 A 1 ATOM 35 C CB . THR A 1 4 ? -3.708 6.181 7.533 1.00 85.61 4 A 1 ATOM 36 O OG1 . THR A 1 4 ? -4.770 6.377 8.457 1.00 80.56 4 A 1 ATOM 37 C CG2 . THR A 1 4 ? -4.183 6.597 6.152 1.00 78.40 4 A 1 ATOM 38 N N . LEU A 1 5 ? -0.902 4.377 7.211 1.00 88.71 5 A 1 ATOM 39 C CA . LEU A 1 5 ? 0.332 4.212 6.450 1.00 88.84 5 A 1 ATOM 40 C C . LEU A 1 5 ? 0.442 2.801 5.885 1.00 90.67 5 A 1 ATOM 41 O O . LEU A 1 5 ? 1.067 2.595 4.847 1.00 89.54 5 A 1 ATOM 42 C CB . LEU A 1 5 ? 1.529 4.494 7.355 1.00 86.74 5 A 1 ATOM 43 C CG . LEU A 1 5 ? 1.333 5.696 8.278 1.00 83.55 5 A 1 ATOM 44 C CD1 . LEU A 1 5 ? 2.553 5.856 9.177 1.00 80.98 5 A 1 ATOM 45 C CD2 . LEU A 1 5 ? 1.105 6.961 7.469 1.00 79.35 5 A 1 ATOM 46 N N . ALA A 1 6 ? -0.150 1.839 6.575 1.00 91.18 6 A 1 ATOM 47 C CA . ALA A 1 6 ? -0.106 0.444 6.140 1.00 91.63 6 A 1 ATOM 48 C C . ALA A 1 6 ? -0.631 0.287 4.711 1.00 92.88 6 A 1 ATOM 49 O O . ALA A 1 6 ? 0.079 -0.205 3.836 1.00 92.04 6 A 1 ATOM 50 C CB . ALA A 1 6 ? -0.901 -0.423 7.107 1.00 90.15 6 A 1 ATOM 51 N N . PRO A 1 7 ? -1.878 0.699 4.462 1.00 93.73 7 A 1 ATOM 52 C CA . PRO A 1 7 ? -2.468 0.580 3.125 1.00 93.58 7 A 1 ATOM 53 C C . PRO A 1 7 ? -1.780 1.483 2.111 1.00 94.36 7 A 1 ATOM 54 O O . PRO A 1 7 ? -1.771 1.196 0.918 1.00 92.84 7 A 1 ATOM 55 C CB . PRO A 1 7 ? -3.928 1.000 3.345 1.00 92.13 7 A 1 ATOM 56 C CG . PRO A 1 7 ? -3.882 1.889 4.545 1.00 91.42 7 A 1 ATOM 57 C CD . PRO A 1 7 ? -2.811 1.294 5.428 1.00 93.21 7 A 1 ATOM 58 N N . PHE A 1 8 ? -1.200 2.551 2.570 1.00 90.82 8 A 1 ATOM 59 C CA . PHE A 1 8 ? -0.514 3.497 1.693 1.00 90.73 8 A 1 ATOM 60 C C . PHE A 1 8 ? 0.795 2.903 1.183 1.00 92.55 8 A 1 ATOM 61 O O . PHE A 1 8 ? 1.200 3.153 0.051 1.00 91.98 8 A 1 ATOM 62 C CB . PHE A 1 8 ? -0.233 4.781 2.466 1.00 89.72 8 A 1 ATOM 63 C CG . PHE A 1 8 ? -0.255 5.989 1.571 1.00 87.94 8 A 1 ATOM 64 C CD1 . PHE A 1 8 ? -1.459 6.556 1.189 1.00 85.63 8 A 1 ATOM 65 C CD2 . PHE A 1 8 ? 0.925 6.545 1.112 1.00 85.55 8 A 1 ATOM 66 C CE1 . PHE A 1 8 ? -1.486 7.667 0.361 1.00 84.81 8 A 1 ATOM 67 C CE2 . PHE A 1 8 ? 0.905 7.658 0.277 1.00 84.47 8 A 1 ATOM 68 C CZ . PHE A 1 8 ? -0.300 8.218 -0.099 1.00 85.25 8 A 1 ATOM 69 N N . VAL A 1 9 ? 1.442 2.117 2.009 1.00 92.31 9 A 1 ATOM 70 C CA . VAL A 1 9 ? 2.711 1.485 1.644 1.00 92.63 9 A 1 ATOM 71 C C . VAL A 1 9 ? 2.488 0.326 0.681 1.00 93.75 9 A 1 ATOM 72 O O . VAL A 1 9 ? 3.395 -0.082 -0.040 1.00 93.70 9 A 1 ATOM 73 C CB . VAL A 1 9 ? 3.429 0.979 2.902 1.00 91.81 9 A 1 ATOM 74 C CG1 . VAL A 1 9 ? 4.720 0.272 2.532 1.00 88.97 9 A 1 ATOM 75 C CG2 . VAL A 1 9 ? 3.714 2.136 3.840 1.00 88.72 9 A 1 ATOM 76 N N . ALA A 1 10 ? 1.285 -0.201 0.672 1.00 93.29 10 A 1 ATOM 77 C CA . ALA A 1 10 ? 0.954 -1.329 -0.196 1.00 93.02 10 A 1 ATOM 78 C C . ALA A 1 10 ? 1.033 -0.927 -1.666 1.00 94.19 10 A 1 ATOM 79 O O . ALA A 1 10 ? 1.131 -1.777 -2.547 1.00 92.44 10 A 1 ATOM 80 C CB . ALA A 1 10 ? -0.446 -1.832 0.135 1.00 92.01 10 A 1 ATOM 81 N N . LEU A 1 11 ? 1.001 0.359 -1.940 1.00 93.31 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 1.043 0.860 -3.310 1.00 92.75 11 A 1 ATOM 83 C C . LEU A 1 11 ? 2.482 1.003 -3.794 1.00 93.58 11 A 1 ATOM 84 O O . LEU A 1 11 ? 2.729 1.151 -4.987 1.00 92.31 11 A 1 ATOM 85 C CB . LEU A 1 11 ? 0.341 2.220 -3.381 1.00 92.20 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -0.992 2.282 -2.643 1.00 89.86 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -1.562 3.696 -2.715 1.00 87.51 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -1.976 1.291 -3.241 1.00 86.51 11 A 1 ATOM 89 N N . LEU A 1 12 ? 3.418 0.944 -2.892 1.00 92.94 12 A 1 ATOM 90 C CA . LEU A 1 12 ? 4.834 1.070 -3.233 1.00 91.92 12 A 1 ATOM 91 C C . LEU A 1 12 ? 5.264 0.000 -4.238 1.00 92.92 12 A 1 ATOM 92 O O . LEU A 1 12 ? 5.831 0.319 -5.281 1.00 92.09 12 A 1 ATOM 93 C CB . LEU A 1 12 ? 5.673 0.968 -1.959 1.00 90.93 12 A 1 ATOM 94 C CG . LEU A 1 12 ? 7.166 0.988 -2.211 1.00 86.91 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? 7.633 2.401 -2.509 1.00 84.82 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? 7.902 0.436 -0.997 1.00 84.15 12 A 1 ATOM 97 N N . PRO A 1 13 ? 5.021 -1.274 -3.933 1.00 94.04 13 A 1 ATOM 98 C CA . PRO A 1 13 ? 5.409 -2.364 -4.834 1.00 93.29 13 A 1 ATOM 99 C C . PRO A 1 13 ? 4.651 -2.330 -6.150 1.00 94.08 13 A 1 ATOM 100 O O . PRO A 1 13 ? 5.165 -2.767 -7.178 1.00 92.27 13 A 1 ATOM 101 C CB . PRO A 1 13 ? 5.059 -3.622 -4.033 1.00 91.85 13 A 1 ATOM 102 C CG . PRO A 1 13 ? 3.971 -3.181 -3.116 1.00 91.27 13 A 1 ATOM 103 C CD . PRO A 1 13 ? 4.318 -1.757 -2.748 1.00 93.71 13 A 1 ATOM 104 N N . LEU A 1 14 ? 3.443 -1.821 -6.132 1.00 93.61 14 A 1 ATOM 105 C CA . LEU A 1 14 ? 2.617 -1.750 -7.332 1.00 93.39 14 A 1 ATOM 106 C C . LEU A 1 14 ? 3.040 -0.586 -8.220 1.00 94.35 14 A 1 ATOM 107 O O . LEU A 1 14 ? 3.106 -0.718 -9.440 1.00 92.43 14 A 1 ATOM 108 C CB . LEU A 1 14 ? 1.147 -1.597 -6.936 1.00 92.51 14 A 1 ATOM 109 C CG . LEU A 1 14 ? 0.175 -1.950 -8.048 1.00 89.45 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? 0.159 -3.453 -8.276 1.00 86.71 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? -1.225 -1.466 -7.706 1.00 85.85 14 A 1 ATOM 112 N N . VAL A 1 15 ? 3.315 0.536 -7.613 1.00 93.89 15 A 1 ATOM 113 C CA . VAL A 1 15 ? 3.731 1.721 -8.365 1.00 93.07 15 A 1 ATOM 114 C C . VAL A 1 15 ? 5.194 1.641 -8.773 1.00 93.93 15 A 1 ATOM 115 O O . VAL A 1 15 ? 5.616 2.280 -9.737 1.00 92.73 15 A 1 ATOM 116 C CB . VAL A 1 15 ? 3.505 2.988 -7.518 1.00 91.32 15 A 1 ATOM 117 C CG1 . VAL A 1 15 ? 4.475 3.012 -6.347 1.00 86.89 15 A 1 ATOM 118 C CG2 . VAL A 1 15 ? 3.696 4.222 -8.375 1.00 86.29 15 A 1 ATOM 119 N N . THR A 1 16 ? 5.969 0.854 -8.062 1.00 92.04 16 A 1 ATOM 120 C CA . THR A 1 16 ? 7.396 0.702 -8.346 1.00 90.71 16 A 1 ATOM 121 C C . THR A 1 16 ? 7.664 -0.525 -9.213 1.00 90.13 16 A 1 ATOM 122 O O . THR A 1 16 ? 8.758 -0.694 -9.746 1.00 87.71 16 A 1 ATOM 123 C CB . THR A 1 16 ? 8.184 0.574 -7.035 1.00 88.70 16 A 1 ATOM 124 O OG1 . THR A 1 16 ? 7.843 1.651 -6.164 1.00 84.77 16 A 1 ATOM 125 C CG2 . THR A 1 16 ? 9.676 0.609 -7.288 1.00 82.70 16 A 1 ATOM 126 N N . ALA A 1 17 ? 6.661 -1.385 -9.363 1.00 92.10 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 6.814 -2.607 -10.138 1.00 90.27 17 A 1 ATOM 128 C C . ALA A 1 17 ? 7.347 -2.308 -11.539 1.00 87.93 17 A 1 ATOM 129 O O . ALA A 1 17 ? 6.879 -1.350 -12.170 1.00 84.63 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 5.483 -3.338 -10.219 1.00 86.56 17 A 1 ATOM 131 O OXT . ALA A 1 17 ? 8.224 -3.046 -12.011 1.00 78.99 17 A 1 #