# 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_spkb24707 # _entry.id spkb24707 # 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" "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" "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" "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 LYS 2 1 n THR 3 1 n PRO 4 1 n PHE 5 1 n THR 6 1 n ILE 7 1 n LEU 8 1 n ALA 9 1 n ALA 10 1 n LEU 11 1 n THR 12 1 n VAL 13 1 n ALA 14 1 n THR 15 1 n THR 16 1 n LEU 17 1 n ALA 18 # _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 @ 2025-07-10 17:14:21)" _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 93.42 _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 83.96 1 1 A LYS 2 2 80.02 1 2 A THR 3 2 90.25 1 3 A PRO 4 2 95.73 1 4 A PHE 5 2 93.28 1 5 A THR 6 2 95.35 1 6 A ILE 7 2 95.93 1 7 A LEU 8 2 94.61 1 8 A ALA 9 2 97.65 1 9 A ALA 10 2 97.81 1 10 A LEU 11 2 95.79 1 11 A THR 12 2 96.21 1 12 A VAL 13 2 97.24 1 13 A ALA 14 2 97.92 1 14 A THR 15 2 96.03 1 15 A THR 16 2 95.95 1 16 A LEU 17 2 94.05 1 17 A ALA 18 2 91.45 1 18 # _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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -2.663 15.548 11.783 1.00 89.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.625 14.758 11.100 1.00 89.46 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.958 13.268 11.154 1.00 90.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.633 12.581 12.115 1.00 88.08 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.269 15.014 11.743 1.00 85.36 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.257 14.804 13.242 1.00 81.72 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.346 15.173 13.978 1.00 78.19 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.297 16.941 13.970 1.00 68.87 1 A 1 ATOM 9 N N . LYS A 1 2 ? -2.604 12.779 10.109 1.00 84.86 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.976 11.372 10.039 1.00 87.56 2 A 1 ATOM 11 C C . LYS A 1 2 ? -1.916 10.563 9.305 1.00 89.76 2 A 1 ATOM 12 O O . LYS A 1 2 ? -1.111 11.105 8.548 1.00 88.61 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -4.317 11.235 9.329 1.00 83.61 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -4.262 11.751 7.904 1.00 77.47 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -5.585 11.516 7.212 1.00 75.70 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -5.501 11.945 5.766 1.00 69.73 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -6.802 11.758 5.083 1.00 62.84 2 A 1 ATOM 18 N N . THR A 1 3 ? -1.920 9.262 9.504 1.00 90.47 3 A 1 ATOM 19 C CA . THR A 1 3 ? -0.948 8.378 8.866 1.00 92.59 3 A 1 ATOM 20 C C . THR A 1 3 ? -1.641 7.409 7.912 1.00 94.21 3 A 1 ATOM 21 O O . THR A 1 3 ? -2.256 6.437 8.350 1.00 93.30 3 A 1 ATOM 22 C CB . THR A 1 3 ? -0.176 7.582 9.920 1.00 91.30 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -1.068 7.096 10.913 1.00 85.70 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? 0.879 8.445 10.577 1.00 84.16 3 A 1 ATOM 25 N N . PRO A 1 4 ? -1.558 7.654 6.610 1.00 96.39 4 A 1 ATOM 26 C CA . PRO A 1 4 ? -2.185 6.808 5.595 1.00 96.49 4 A 1 ATOM 27 C C . PRO A 1 4 ? -1.469 5.469 5.431 1.00 97.07 4 A 1 ATOM 28 O O . PRO A 1 4 ? -0.953 5.149 4.359 1.00 96.37 4 A 1 ATOM 29 C CB . PRO A 1 4 ? -2.084 7.648 4.324 1.00 95.04 4 A 1 ATOM 30 C CG . PRO A 1 4 ? -0.891 8.515 4.529 1.00 93.75 4 A 1 ATOM 31 C CD . PRO A 1 4 ? -0.846 8.793 6.013 1.00 95.03 4 A 1 ATOM 32 N N . PHE A 1 5 ? -1.435 4.700 6.502 1.00 96.18 5 A 1 ATOM 33 C CA . PHE A 1 5 ? -0.783 3.395 6.482 1.00 96.37 5 A 1 ATOM 34 C C . PHE A 1 5 ? -1.523 2.446 5.559 1.00 97.06 5 A 1 ATOM 35 O O . PHE A 1 5 ? -0.951 1.496 5.033 1.00 96.42 5 A 1 ATOM 36 C CB . PHE A 1 5 ? -0.736 2.819 7.899 1.00 95.62 5 A 1 ATOM 37 C CG . PHE A 1 5 ? 0.651 2.858 8.486 1.00 93.60 5 A 1 ATOM 38 C CD1 . PHE A 1 5 ? 1.359 4.047 8.547 1.00 90.60 5 A 1 ATOM 39 C CD2 . PHE A 1 5 ? 1.242 1.702 8.971 1.00 91.03 5 A 1 ATOM 40 C CE1 . PHE A 1 5 ? 2.642 4.088 9.076 1.00 89.73 5 A 1 ATOM 41 C CE2 . PHE A 1 5 ? 2.522 1.733 9.507 1.00 89.68 5 A 1 ATOM 42 C CZ . PHE A 1 5 ? 3.224 2.931 9.560 1.00 89.82 5 A 1 ATOM 43 N N . THR A 1 6 ? -2.804 2.714 5.355 1.00 95.93 6 A 1 ATOM 44 C CA . THR A 1 6 ? -3.636 1.896 4.486 1.00 96.53 6 A 1 ATOM 45 C C . THR A 1 6 ? -3.099 1.904 3.060 1.00 97.21 6 A 1 ATOM 46 O O . THR A 1 6 ? -3.124 0.884 2.368 1.00 97.06 6 A 1 ATOM 47 C CB . THR A 1 6 ? -5.080 2.409 4.482 1.00 96.20 6 A 1 ATOM 48 O OG1 . THR A 1 6 ? -5.221 3.486 5.406 1.00 93.16 6 A 1 ATOM 49 C CG2 . THR A 1 6 ? -6.051 1.303 4.838 1.00 91.38 6 A 1 ATOM 50 N N . ILE A 1 7 ? -2.627 3.044 2.630 1.00 97.14 7 A 1 ATOM 51 C CA . ILE A 1 7 ? -2.088 3.177 1.279 1.00 97.03 7 A 1 ATOM 52 C C . ILE A 1 7 ? -0.827 2.333 1.129 1.00 97.44 7 A 1 ATOM 53 O O . ILE A 1 7 ? -0.658 1.603 0.148 1.00 97.38 7 A 1 ATOM 54 C CB . ILE A 1 7 ? -1.776 4.653 0.958 1.00 97.11 7 A 1 ATOM 55 C CG1 . ILE A 1 7 ? -3.048 5.502 1.051 1.00 95.55 7 A 1 ATOM 56 C CG2 . ILE A 1 7 ? -1.175 4.770 -0.443 1.00 95.02 7 A 1 ATOM 57 C CD1 . ILE A 1 7 ? -2.765 6.991 1.030 1.00 90.80 7 A 1 ATOM 58 N N . LEU A 1 8 ? 0.049 2.437 2.104 1.00 97.07 8 A 1 ATOM 59 C CA . LEU A 1 8 ? 1.295 1.677 2.086 1.00 96.97 8 A 1 ATOM 60 C C . LEU A 1 8 ? 0.996 0.183 2.144 1.00 97.54 8 A 1 ATOM 61 O O . LEU A 1 8 ? 1.603 -0.624 1.440 1.00 97.69 8 A 1 ATOM 62 C CB . LEU A 1 8 ? 2.173 2.091 3.272 1.00 96.54 8 A 1 ATOM 63 C CG . LEU A 1 8 ? 3.587 2.517 2.880 1.00 91.13 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? 4.304 1.402 2.150 1.00 89.74 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? 3.523 3.768 2.019 1.00 90.20 8 A 1 ATOM 66 N N . ALA A 1 9 ? 0.056 -0.174 2.995 1.00 97.56 9 A 1 ATOM 67 C CA . ALA A 1 9 ? -0.343 -1.567 3.153 1.00 97.64 9 A 1 ATOM 68 C C . ALA A 1 9 ? -0.977 -2.098 1.873 1.00 98.08 9 A 1 ATOM 69 O O . ALA A 1 9 ? -0.754 -3.246 1.488 1.00 97.82 9 A 1 ATOM 70 C CB . ALA A 1 9 ? -1.326 -1.684 4.312 1.00 97.13 9 A 1 ATOM 71 N N . ALA A 1 10 ? -1.775 -1.265 1.223 1.00 97.83 10 A 1 ATOM 72 C CA . ALA A 1 10 ? -2.446 -1.658 -0.014 1.00 97.84 10 A 1 ATOM 73 C C . ALA A 1 10 ? -1.427 -2.021 -1.092 1.00 98.19 10 A 1 ATOM 74 O O . ALA A 1 10 ? -1.606 -2.989 -1.828 1.00 97.78 10 A 1 ATOM 75 C CB . ALA A 1 10 ? -3.338 -0.522 -0.494 1.00 97.41 10 A 1 ATOM 76 N N . LEU A 1 11 ? -0.366 -1.250 -1.169 1.00 97.62 11 A 1 ATOM 77 C CA . LEU A 1 11 ? 0.688 -1.501 -2.149 1.00 97.63 11 A 1 ATOM 78 C C . LEU A 1 11 ? 1.373 -2.831 -1.874 1.00 98.00 11 A 1 ATOM 79 O O . LEU A 1 11 ? 1.633 -3.615 -2.788 1.00 97.57 11 A 1 ATOM 80 C CB . LEU A 1 11 ? 1.708 -0.366 -2.099 1.00 97.22 11 A 1 ATOM 81 C CG . LEU A 1 11 ? 1.470 0.708 -3.152 1.00 94.21 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? 2.130 2.014 -2.746 1.00 92.00 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? 2.005 0.243 -4.497 1.00 92.06 11 A 1 ATOM 84 N N . THR A 1 12 ? 1.656 -3.080 -0.623 1.00 97.36 12 A 1 ATOM 85 C CA . THR A 1 12 ? 2.309 -4.319 -0.210 1.00 97.35 12 A 1 ATOM 86 C C . THR A 1 12 ? 1.416 -5.521 -0.501 1.00 97.83 12 A 1 ATOM 87 O O . THR A 1 12 ? 1.883 -6.553 -0.985 1.00 97.43 12 A 1 ATOM 88 C CB . THR A 1 12 ? 2.637 -4.278 1.283 1.00 96.88 12 A 1 ATOM 89 O OG1 . THR A 1 12 ? 3.395 -3.111 1.576 1.00 93.94 12 A 1 ATOM 90 C CG2 . THR A 1 12 ? 3.447 -5.502 1.688 1.00 92.66 12 A 1 ATOM 91 N N . VAL A 1 13 ? 0.139 -5.385 -0.201 1.00 98.14 13 A 1 ATOM 92 C CA . VAL A 1 13 ? -0.822 -6.461 -0.427 1.00 98.06 13 A 1 ATOM 93 C C . VAL A 1 13 ? -0.920 -6.782 -1.913 1.00 98.29 13 A 1 ATOM 94 O O . VAL A 1 13 ? -0.961 -7.951 -2.307 1.00 97.99 13 A 1 ATOM 95 C CB . VAL A 1 13 ? -2.207 -6.078 0.118 1.00 97.43 13 A 1 ATOM 96 C CG1 . VAL A 1 13 ? -3.232 -7.138 -0.238 1.00 95.22 13 A 1 ATOM 97 C CG2 . VAL A 1 13 ? -2.146 -5.903 1.626 1.00 95.58 13 A 1 ATOM 98 N N . ALA A 1 14 ? -0.969 -5.744 -2.724 1.00 98.19 14 A 1 ATOM 99 C CA . ALA A 1 14 ? -1.072 -5.918 -4.170 1.00 98.05 14 A 1 ATOM 100 C C . ALA A 1 14 ? 0.145 -6.656 -4.716 1.00 98.27 14 A 1 ATOM 101 O O . ALA A 1 14 ? 0.027 -7.513 -5.591 1.00 97.68 14 A 1 ATOM 102 C CB . ALA A 1 14 ? -1.210 -4.560 -4.843 1.00 97.43 14 A 1 ATOM 103 N N . THR A 1 15 ? 1.306 -6.328 -4.200 1.00 98.03 15 A 1 ATOM 104 C CA . THR A 1 15 ? 2.549 -6.961 -4.635 1.00 97.75 15 A 1 ATOM 105 C C . THR A 1 15 ? 2.594 -8.421 -4.204 1.00 98.03 15 A 1 ATOM 106 O O . THR A 1 15 ? 3.020 -9.291 -4.963 1.00 97.33 15 A 1 ATOM 107 C CB . THR A 1 15 ? 3.758 -6.226 -4.045 1.00 96.89 15 A 1 ATOM 108 O OG1 . THR A 1 15 ? 3.688 -4.845 -4.389 1.00 92.58 15 A 1 ATOM 109 C CG2 . THR A 1 15 ? 5.053 -6.800 -4.594 1.00 91.63 15 A 1 ATOM 110 N N . THR A 1 16 ? 2.161 -8.687 -2.999 1.00 97.76 16 A 1 ATOM 111 C CA . THR A 1 16 ? 2.148 -10.048 -2.464 1.00 97.56 16 A 1 ATOM 112 C C . THR A 1 16 ? 1.204 -10.934 -3.269 1.00 97.85 16 A 1 ATOM 113 O O . THR A 1 16 ? 1.498 -12.102 -3.525 1.00 97.03 16 A 1 ATOM 114 C CB . THR A 1 16 ? 1.711 -10.040 -0.996 1.00 96.92 16 A 1 ATOM 115 O OG1 . THR A 1 16 ? 2.582 -9.202 -0.244 1.00 92.91 16 A 1 ATOM 116 C CG2 . THR A 1 16 ? 1.760 -11.443 -0.407 1.00 91.65 16 A 1 ATOM 117 N N . LEU A 1 17 ? 0.073 -10.375 -3.651 1.00 97.56 17 A 1 ATOM 118 C CA . LEU A 1 17 ? -0.926 -11.112 -4.419 1.00 97.20 17 A 1 ATOM 119 C C . LEU A 1 17 ? -0.420 -11.418 -5.824 1.00 97.38 17 A 1 ATOM 120 O O . LEU A 1 17 ? -0.836 -12.401 -6.444 1.00 96.58 17 A 1 ATOM 121 C CB . LEU A 1 17 ? -2.223 -10.299 -4.500 1.00 96.21 17 A 1 ATOM 122 C CG . LEU A 1 17 ? -3.415 -11.080 -5.045 1.00 91.63 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? -3.844 -12.145 -4.047 1.00 88.53 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? -4.585 -10.148 -5.340 1.00 87.32 17 A 1 ATOM 125 N N . ALA A 1 18 ? 0.462 -10.586 -6.330 1.00 95.69 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 1.006 -10.756 -7.670 1.00 94.28 18 A 1 ATOM 127 C C . ALA A 1 18 ? 1.851 -12.022 -7.779 1.00 93.54 18 A 1 ATOM 128 O O . ALA A 1 18 ? 2.301 -12.552 -6.746 1.00 90.61 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 1.822 -9.530 -8.059 1.00 90.95 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? 2.098 -12.489 -8.905 1.00 83.62 18 A 1 #