# 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_599 # _entry.id 599 # 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" "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 LYS 2 1 n VAL 3 1 n ALA 4 1 n ILE 5 1 n ILE 6 1 n PHE 7 1 n LEU 8 1 n LEU 9 1 n SER 10 1 n ALA 11 1 n LEU 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n SER 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 @ 2025-05-29 16:01:11)" _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 95.43 _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 89.85 1 1 A LYS 2 2 91.45 1 2 A VAL 3 2 97.01 1 3 A ALA 4 2 98.41 1 4 A ILE 5 2 96.64 1 5 A ILE 6 2 97.24 1 6 A PHE 7 2 96.17 1 7 A LEU 8 2 96.31 1 8 A LEU 9 2 96.46 1 9 A SER 10 2 96.60 1 10 A ALA 11 2 98.40 1 11 A LEU 12 2 95.58 1 12 A ALA 13 2 98.23 1 13 A LEU 14 2 96.05 1 14 A LEU 15 2 94.81 1 15 A SER 16 2 96.67 1 16 A LEU 17 2 93.56 1 17 A ALA 18 2 91.56 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 VAL . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 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 ? -14.715 1.387 0.780 1.00 94.98 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.730 0.553 0.061 1.00 95.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.407 0.487 0.843 1.00 96.32 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.528 1.323 0.644 1.00 94.09 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.462 1.125 -1.330 1.00 92.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.737 1.405 -2.122 1.00 87.44 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.366 -0.061 -2.915 1.00 84.15 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.999 0.480 -3.353 1.00 73.73 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.296 -0.491 1.740 1.00 96.69 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.094 -0.649 2.562 1.00 97.47 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.976 -1.360 1.806 1.00 97.94 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.805 -1.018 1.969 1.00 97.49 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -11.438 -1.406 3.849 1.00 96.52 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -11.919 -0.491 4.963 1.00 91.58 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.742 0.154 5.682 1.00 87.42 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.202 1.178 6.695 1.00 82.33 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.051 1.883 7.307 1.00 75.62 2 A 1 ATOM 18 N N . VAL A 1 3 ? -10.335 -2.327 0.981 1.00 97.67 3 A 1 ATOM 19 C CA . VAL A 1 3 ? -9.365 -3.100 0.199 1.00 98.14 3 A 1 ATOM 20 C C . VAL A 1 3 ? -8.569 -2.194 -0.741 1.00 98.41 3 A 1 ATOM 21 O O . VAL A 1 3 ? -7.348 -2.338 -0.867 1.00 98.12 3 A 1 ATOM 22 C CB . VAL A 1 3 ? -10.056 -4.223 -0.595 1.00 97.56 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? -9.033 -5.070 -1.331 1.00 94.87 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? -10.896 -5.100 0.315 1.00 94.33 3 A 1 ATOM 25 N N . ALA A 1 4 ? -9.258 -1.260 -1.390 1.00 98.31 4 A 1 ATOM 26 C CA . ALA A 1 4 ? -8.616 -0.331 -2.321 1.00 98.49 4 A 1 ATOM 27 C C . ALA A 1 4 ? -7.619 0.582 -1.604 1.00 98.60 4 A 1 ATOM 28 O O . ALA A 1 4 ? -6.547 0.874 -2.134 1.00 98.38 4 A 1 ATOM 29 C CB . ALA A 1 4 ? -9.678 0.494 -3.036 1.00 98.29 4 A 1 ATOM 30 N N . ILE A 1 5 ? -7.972 1.019 -0.399 1.00 98.02 5 A 1 ATOM 31 C CA . ILE A 1 5 ? -7.116 1.897 0.400 1.00 98.04 5 A 1 ATOM 32 C C . ILE A 1 5 ? -5.834 1.172 0.809 1.00 98.17 5 A 1 ATOM 33 O O . ILE A 1 5 ? -4.745 1.739 0.744 1.00 97.95 5 A 1 ATOM 34 C CB . ILE A 1 5 ? -7.873 2.420 1.641 1.00 97.95 5 A 1 ATOM 35 C CG1 . ILE A 1 5 ? -9.152 3.185 1.230 1.00 95.99 5 A 1 ATOM 36 C CG2 . ILE A 1 5 ? -6.970 3.311 2.503 1.00 95.53 5 A 1 ATOM 37 C CD1 . ILE A 1 5 ? -8.894 4.442 0.400 1.00 91.45 5 A 1 ATOM 38 N N . ILE A 1 6 ? -5.973 -0.067 1.233 1.00 98.50 6 A 1 ATOM 39 C CA . ILE A 1 6 ? -4.826 -0.877 1.653 1.00 98.42 6 A 1 ATOM 40 C C . ILE A 1 6 ? -3.865 -1.092 0.482 1.00 98.40 6 A 1 ATOM 41 O O . ILE A 1 6 ? -2.644 -1.037 0.655 1.00 98.23 6 A 1 ATOM 42 C CB . ILE A 1 6 ? -5.297 -2.224 2.243 1.00 98.34 6 A 1 ATOM 43 C CG1 . ILE A 1 6 ? -6.087 -1.996 3.538 1.00 96.85 6 A 1 ATOM 44 C CG2 . ILE A 1 6 ? -4.096 -3.134 2.537 1.00 96.25 6 A 1 ATOM 45 C CD1 . ILE A 1 6 ? -6.992 -3.150 3.899 1.00 92.95 6 A 1 ATOM 46 N N . PHE A 1 7 ? -4.417 -1.330 -0.690 1.00 98.40 7 A 1 ATOM 47 C CA . PHE A 1 7 ? -3.614 -1.531 -1.897 1.00 98.32 7 A 1 ATOM 48 C C . PHE A 1 7 ? -2.814 -0.281 -2.246 1.00 98.38 7 A 1 ATOM 49 O O . PHE A 1 7 ? -1.620 -0.365 -2.545 1.00 98.23 7 A 1 ATOM 50 C CB . PHE A 1 7 ? -4.520 -1.919 -3.067 1.00 98.19 7 A 1 ATOM 51 C CG . PHE A 1 7 ? -4.266 -3.324 -3.564 1.00 96.54 7 A 1 ATOM 52 C CD1 . PHE A 1 7 ? -4.769 -4.417 -2.876 1.00 93.93 7 A 1 ATOM 53 C CD2 . PHE A 1 7 ? -3.525 -3.529 -4.719 1.00 94.59 7 A 1 ATOM 54 C CE1 . PHE A 1 7 ? -4.534 -5.712 -3.330 1.00 93.45 7 A 1 ATOM 55 C CE2 . PHE A 1 7 ? -3.287 -4.819 -5.182 1.00 93.72 7 A 1 ATOM 56 C CZ . PHE A 1 7 ? -3.791 -5.914 -4.488 1.00 94.08 7 A 1 ATOM 57 N N . LEU A 1 8 ? -3.475 0.870 -2.194 1.00 98.44 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -2.827 2.145 -2.502 1.00 98.40 8 A 1 ATOM 59 C C . LEU A 1 8 ? -1.742 2.474 -1.479 1.00 98.47 8 A 1 ATOM 60 O O . LEU A 1 8 ? -0.655 2.933 -1.848 1.00 98.38 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -3.879 3.260 -2.544 1.00 98.32 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -4.602 3.378 -3.882 1.00 94.11 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -6.013 3.905 -3.689 1.00 91.48 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -3.838 4.291 -4.828 1.00 92.92 8 A 1 ATOM 65 N N . LEU A 1 9 ? -2.036 2.238 -0.212 1.00 98.39 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -1.083 2.493 0.867 1.00 98.25 9 A 1 ATOM 67 C C . LEU A 1 9 ? 0.134 1.582 0.747 1.00 98.34 9 A 1 ATOM 68 O O . LEU A 1 9 ? 1.267 2.026 0.954 1.00 98.26 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -1.771 2.284 2.220 1.00 98.15 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -1.061 2.980 3.382 1.00 94.80 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -1.470 4.449 3.450 1.00 92.21 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -1.381 2.291 4.686 1.00 93.25 9 A 1 ATOM 73 N N . SER A 1 10 ? -0.093 0.330 0.415 1.00 98.36 10 A 1 ATOM 74 C CA . SER A 1 10 ? 0.974 -0.654 0.260 1.00 98.26 10 A 1 ATOM 75 C C . SER A 1 10 ? 1.892 -0.292 -0.904 1.00 98.42 10 A 1 ATOM 76 O O . SER A 1 10 ? 3.110 -0.459 -0.816 1.00 98.12 10 A 1 ATOM 77 C CB . SER A 1 10 ? 0.378 -2.042 0.050 1.00 97.76 10 A 1 ATOM 78 O OG . SER A 1 10 ? 1.345 -3.034 0.274 1.00 88.70 10 A 1 ATOM 79 N N . ALA A 1 11 ? 1.310 0.213 -1.977 1.00 98.44 11 A 1 ATOM 80 C CA . ALA A 1 11 ? 2.070 0.611 -3.160 1.00 98.47 11 A 1 ATOM 81 C C . ALA A 1 11 ? 3.047 1.743 -2.833 1.00 98.60 11 A 1 ATOM 82 O O . ALA A 1 11 ? 4.196 1.723 -3.278 1.00 98.29 11 A 1 ATOM 83 C CB . ALA A 1 11 ? 1.111 1.038 -4.264 1.00 98.21 11 A 1 ATOM 84 N N . LEU A 1 12 ? 2.588 2.709 -2.043 1.00 98.41 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 3.430 3.833 -1.633 1.00 98.28 12 A 1 ATOM 86 C C . LEU A 1 12 ? 4.562 3.373 -0.721 1.00 98.42 12 A 1 ATOM 87 O O . LEU A 1 12 ? 5.695 3.848 -0.846 1.00 98.11 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 2.574 4.883 -0.923 1.00 97.91 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 1.952 5.903 -1.865 1.00 93.56 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 0.687 6.483 -1.268 1.00 89.36 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 2.945 7.009 -2.177 1.00 90.59 12 A 1 ATOM 92 N N . ALA A 1 13 ? 4.255 2.455 0.182 1.00 98.39 13 A 1 ATOM 93 C CA . ALA A 1 13 ? 5.249 1.912 1.107 1.00 98.31 13 A 1 ATOM 94 C C . ALA A 1 13 ? 6.346 1.157 0.358 1.00 98.48 13 A 1 ATOM 95 O O . ALA A 1 13 ? 7.524 1.268 0.701 1.00 98.02 13 A 1 ATOM 96 C CB . ALA A 1 13 ? 4.563 0.999 2.113 1.00 97.94 13 A 1 ATOM 97 N N . LEU A 1 14 ? 5.959 0.408 -0.660 1.00 98.31 14 A 1 ATOM 98 C CA . LEU A 1 14 ? 6.908 -0.355 -1.467 1.00 98.19 14 A 1 ATOM 99 C C . LEU A 1 14 ? 7.851 0.570 -2.227 1.00 98.32 14 A 1 ATOM 100 O O . LEU A 1 14 ? 9.047 0.286 -2.339 1.00 97.79 14 A 1 ATOM 101 C CB . LEU A 1 14 ? 6.150 -1.256 -2.443 1.00 97.83 14 A 1 ATOM 102 C CG . LEU A 1 14 ? 5.645 -2.555 -1.826 1.00 94.99 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? 4.514 -3.131 -2.653 1.00 91.73 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? 6.782 -3.566 -1.720 1.00 91.22 14 A 1 ATOM 105 N N . LEU A 1 15 ? 7.322 1.675 -2.731 1.00 97.93 15 A 1 ATOM 106 C CA . LEU A 1 15 ? 8.126 2.655 -3.461 1.00 97.72 15 A 1 ATOM 107 C C . LEU A 1 15 ? 9.168 3.300 -2.553 1.00 97.96 15 A 1 ATOM 108 O O . LEU A 1 15 ? 10.285 3.584 -2.994 1.00 97.32 15 A 1 ATOM 109 C CB . LEU A 1 15 ? 7.215 3.724 -4.063 1.00 97.24 15 A 1 ATOM 110 C CG . LEU A 1 15 ? 6.507 3.295 -5.346 1.00 93.86 15 A 1 ATOM 111 C CD1 . LEU A 1 15 ? 5.288 4.159 -5.595 1.00 88.12 15 A 1 ATOM 112 C CD2 . LEU A 1 15 ? 7.457 3.383 -6.534 1.00 88.35 15 A 1 ATOM 113 N N . SER A 1 16 ? 8.812 3.527 -1.297 1.00 98.05 16 A 1 ATOM 114 C CA . SER A 1 16 ? 9.713 4.119 -0.311 1.00 98.07 16 A 1 ATOM 115 C C . SER A 1 16 ? 10.889 3.195 -0.010 1.00 98.16 16 A 1 ATOM 116 O O . SER A 1 16 ? 12.024 3.655 0.141 1.00 97.37 16 A 1 ATOM 117 C CB . SER A 1 16 ? 8.953 4.436 0.973 1.00 97.39 16 A 1 ATOM 118 O OG . SER A 1 16 ? 9.765 5.150 1.869 1.00 90.96 16 A 1 ATOM 119 N N . LEU A 1 17 ? 10.622 1.899 0.077 1.00 96.94 17 A 1 ATOM 120 C CA . LEU A 1 17 ? 11.653 0.899 0.349 1.00 96.60 17 A 1 ATOM 121 C C . LEU A 1 17 ? 12.533 0.652 -0.868 1.00 96.97 17 A 1 ATOM 122 O O . LEU A 1 17 ? 13.735 0.396 -0.726 1.00 95.77 17 A 1 ATOM 123 C CB . LEU A 1 17 ? 11.002 -0.410 0.807 1.00 95.70 17 A 1 ATOM 124 C CG . LEU A 1 17 ? 10.564 -0.415 2.270 1.00 92.75 17 A 1 ATOM 125 C CD1 . LEU A 1 17 ? 9.443 -1.416 2.490 1.00 87.39 17 A 1 ATOM 126 C CD2 . LEU A 1 17 ? 11.745 -0.745 3.176 1.00 86.33 17 A 1 ATOM 127 N N . ALA A 1 18 ? 11.939 0.717 -2.053 1.00 96.02 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 12.650 0.486 -3.304 1.00 94.74 18 A 1 ATOM 129 C C . ALA A 1 18 ? 13.575 1.645 -3.671 1.00 93.39 18 A 1 ATOM 130 O O . ALA A 1 18 ? 13.411 2.752 -3.135 1.00 90.62 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 11.651 0.220 -4.426 1.00 91.45 18 A 1 ATOM 132 O OXT . ALA A 1 18 ? 14.466 1.450 -4.519 1.00 83.13 18 A 1 #