# 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_spkb16227 # _entry.id spkb16227 # 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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "C3 H7 N O3" 105.093 SER y SERINE C([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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 MET 2 1 n TYR 3 1 n VAL 4 1 n SER 5 1 n LEU 6 1 n VAL 7 1 n HIS 8 1 n TRP 9 1 n LEU 10 1 n ALA 11 1 n LEU 12 1 n ALA 13 1 n VAL 14 1 n ALA 15 1 n LEU 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 20:49:13)" _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 94.59 _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 84.69 1 1 A MET 2 2 89.15 1 2 A TYR 3 2 90.42 1 3 A VAL 4 2 95.74 1 4 A SER 5 2 96.01 1 5 A LEU 6 2 95.89 1 6 A VAL 7 2 97.59 1 7 A HIS 8 2 95.31 1 8 A TRP 9 2 94.77 1 9 A LEU 10 2 96.38 1 10 A ALA 11 2 98.37 1 11 A LEU 12 2 96.09 1 12 A ALA 13 2 98.39 1 13 A VAL 14 2 97.87 1 14 A ALA 15 2 98.39 1 15 A LEU 16 2 96.37 1 16 A ALA 17 2 93.64 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 MET . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n HIS . 8 A 8 A 9 1 n TRP . 9 A 9 A 10 1 n LEU . 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 VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 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 ? -11.688 -2.947 9.112 1.00 89.23 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.821 -1.871 8.604 1.00 91.13 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.096 -2.317 7.333 1.00 92.17 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.878 -2.460 7.315 1.00 89.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.794 -1.466 9.657 1.00 86.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.423 -0.799 10.861 1.00 81.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.187 -0.286 12.061 1.00 78.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.225 0.515 13.266 1.00 69.22 1 A 1 ATOM 9 N N . MET A 1 2 ? -10.875 -2.533 6.279 1.00 93.75 2 A 1 ATOM 10 C CA . MET A 1 2 ? -10.307 -2.958 4.999 1.00 94.50 2 A 1 ATOM 11 C C . MET A 1 2 ? -9.486 -1.842 4.355 1.00 95.84 2 A 1 ATOM 12 O O . MET A 1 2 ? -8.635 -2.101 3.508 1.00 94.83 2 A 1 ATOM 13 C CB . MET A 1 2 ? -11.423 -3.398 4.055 1.00 90.98 2 A 1 ATOM 14 C CG . MET A 1 2 ? -11.857 -4.827 4.304 1.00 86.20 2 A 1 ATOM 15 S SD . MET A 1 2 ? -13.139 -5.358 3.176 1.00 83.28 2 A 1 ATOM 16 C CE . MET A 1 2 ? -13.063 -7.122 3.416 1.00 73.79 2 A 1 ATOM 17 N N . TYR A 1 3 ? -9.753 -0.609 4.776 1.00 91.92 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -9.053 0.549 4.228 1.00 95.12 3 A 1 ATOM 19 C C . TYR A 1 3 ? -7.557 0.479 4.527 1.00 96.90 3 A 1 ATOM 20 O O . TYR A 1 3 ? -6.741 1.014 3.772 1.00 96.27 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -9.645 1.834 4.812 1.00 93.40 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -11.154 1.857 4.774 1.00 89.89 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -11.830 1.754 3.562 1.00 89.16 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -11.896 1.980 5.942 1.00 87.32 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -13.218 1.771 3.521 1.00 87.03 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -13.281 1.999 5.906 1.00 86.76 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -13.936 1.895 4.695 1.00 86.38 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -15.304 1.913 4.656 1.00 84.90 3 A 1 ATOM 29 N N . VAL A 1 4 ? -7.199 -0.200 5.615 1.00 96.40 4 A 1 ATOM 30 C CA . VAL A 1 4 ? -5.797 -0.344 6.006 1.00 96.90 4 A 1 ATOM 31 C C . VAL A 1 4 ? -5.019 -1.087 4.924 1.00 97.55 4 A 1 ATOM 32 O O . VAL A 1 4 ? -3.874 -0.745 4.620 1.00 97.22 4 A 1 ATOM 33 C CB . VAL A 1 4 ? -5.667 -1.078 7.353 1.00 96.14 4 A 1 ATOM 34 C CG1 . VAL A 1 4 ? -4.206 -1.199 7.762 1.00 92.84 4 A 1 ATOM 35 C CG2 . VAL A 1 4 ? -6.453 -0.357 8.438 1.00 93.15 4 A 1 ATOM 36 N N . SER A 1 5 ? -5.653 -2.092 4.328 1.00 97.29 5 A 1 ATOM 37 C CA . SER A 1 5 ? -5.027 -2.865 3.260 1.00 97.60 5 A 1 ATOM 38 C C . SER A 1 5 ? -4.768 -1.981 2.044 1.00 98.05 5 A 1 ATOM 39 O O . SER A 1 5 ? -3.747 -2.117 1.372 1.00 97.45 5 A 1 ATOM 40 C CB . SER A 1 5 ? -5.911 -4.049 2.876 1.00 96.77 5 A 1 ATOM 41 O OG . SER A 1 5 ? -6.055 -4.933 3.968 1.00 88.90 5 A 1 ATOM 42 N N . LEU A 1 6 ? -5.697 -1.072 1.780 1.00 97.64 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -5.563 -0.137 0.669 1.00 97.80 6 A 1 ATOM 44 C C . LEU A 1 6 ? -4.396 0.812 0.917 1.00 98.26 6 A 1 ATOM 45 O O . LEU A 1 6 ? -3.614 1.109 0.018 1.00 98.20 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -6.868 0.649 0.494 1.00 97.63 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -7.270 0.910 -0.954 1.00 93.92 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -6.215 1.704 -1.694 1.00 91.58 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -7.546 -0.407 -1.667 1.00 92.11 6 A 1 ATOM 50 N N . VAL A 1 7 ? -4.286 1.278 2.151 1.00 97.95 7 A 1 ATOM 51 C CA . VAL A 1 7 ? -3.192 2.167 2.540 1.00 98.17 7 A 1 ATOM 52 C C . VAL A 1 7 ? -1.859 1.448 2.389 1.00 98.37 7 A 1 ATOM 53 O O . VAL A 1 7 ? -0.871 2.033 1.944 1.00 98.21 7 A 1 ATOM 54 C CB . VAL A 1 7 ? -3.370 2.656 3.987 1.00 97.82 7 A 1 ATOM 55 C CG1 . VAL A 1 7 ? -2.170 3.483 4.431 1.00 96.31 7 A 1 ATOM 56 C CG2 . VAL A 1 7 ? -4.647 3.470 4.122 1.00 96.27 7 A 1 ATOM 57 N N . HIS A 1 8 ? -1.854 0.172 2.747 1.00 98.23 8 A 1 ATOM 58 C CA . HIS A 1 8 ? -0.648 -0.642 2.610 1.00 98.27 8 A 1 ATOM 59 C C . HIS A 1 8 ? -0.248 -0.741 1.141 1.00 98.51 8 A 1 ATOM 60 O O . HIS A 1 8 ? 0.935 -0.693 0.803 1.00 98.43 8 A 1 ATOM 61 C CB . HIS A 1 8 ? -0.895 -2.038 3.187 1.00 97.97 8 A 1 ATOM 62 C CG . HIS A 1 8 ? 0.311 -2.924 3.104 1.00 95.76 8 A 1 ATOM 63 N ND1 . HIS A 1 8 ? 1.390 -2.816 3.955 1.00 90.32 8 A 1 ATOM 64 C CD2 . HIS A 1 8 ? 0.600 -3.941 2.256 1.00 91.66 8 A 1 ATOM 65 C CE1 . HIS A 1 8 ? 2.289 -3.734 3.628 1.00 91.47 8 A 1 ATOM 66 N NE2 . HIS A 1 8 ? 1.838 -4.434 2.598 1.00 92.43 8 A 1 ATOM 67 N N . TRP A 1 9 ? -1.240 -0.881 0.264 1.00 97.89 9 A 1 ATOM 68 C CA . TRP A 1 9 ? -1.003 -0.951 -1.172 1.00 97.94 9 A 1 ATOM 69 C C . TRP A 1 9 ? -0.382 0.344 -1.676 1.00 98.28 9 A 1 ATOM 70 O O . TRP A 1 9 ? 0.564 0.324 -2.463 1.00 98.15 9 A 1 ATOM 71 C CB . TRP A 1 9 ? -2.320 -1.218 -1.912 1.00 97.64 9 A 1 ATOM 72 C CG . TRP A 1 9 ? -2.314 -2.518 -2.654 1.00 96.01 9 A 1 ATOM 73 C CD1 . TRP A 1 9 ? -3.317 -3.436 -2.691 1.00 93.56 9 A 1 ATOM 74 C CD2 . TRP A 1 9 ? -1.277 -3.050 -3.483 1.00 95.36 9 A 1 ATOM 75 N NE1 . TRP A 1 9 ? -2.964 -4.493 -3.485 1.00 91.77 9 A 1 ATOM 76 C CE2 . TRP A 1 9 ? -1.710 -4.296 -3.989 1.00 94.23 9 A 1 ATOM 77 C CE3 . TRP A 1 9 ? -0.003 -2.610 -3.861 1.00 91.81 9 A 1 ATOM 78 C CZ2 . TRP A 1 9 ? -0.923 -5.078 -4.836 1.00 93.03 9 A 1 ATOM 79 C CZ3 . TRP A 1 9 ? 0.782 -3.389 -4.706 1.00 90.57 9 A 1 ATOM 80 C CH2 . TRP A 1 9 ? 0.319 -4.606 -5.183 1.00 90.49 9 A 1 ATOM 81 N N . LEU A 1 10 ? -0.918 1.455 -1.199 1.00 98.12 10 A 1 ATOM 82 C CA . LEU A 1 10 ? -0.402 2.761 -1.590 1.00 98.08 10 A 1 ATOM 83 C C . LEU A 1 10 ? 1.047 2.921 -1.150 1.00 98.36 10 A 1 ATOM 84 O O . LEU A 1 10 ? 1.880 3.405 -1.916 1.00 98.28 10 A 1 ATOM 85 C CB . LEU A 1 10 ? -1.262 3.861 -0.973 1.00 97.85 10 A 1 ATOM 86 C CG . LEU A 1 10 ? -2.593 4.071 -1.688 1.00 94.52 10 A 1 ATOM 87 C CD1 . LEU A 1 10 ? -3.540 4.880 -0.819 1.00 92.77 10 A 1 ATOM 88 C CD2 . LEU A 1 10 ? -2.375 4.767 -3.021 1.00 93.10 10 A 1 ATOM 89 N N . ALA A 1 11 ? 1.329 2.508 0.072 1.00 98.42 11 A 1 ATOM 90 C CA . ALA A 1 11 ? 2.684 2.591 0.602 1.00 98.42 11 A 1 ATOM 91 C C . ALA A 1 11 ? 3.631 1.709 -0.202 1.00 98.57 11 A 1 ATOM 92 O O . ALA A 1 11 ? 4.760 2.102 -0.497 1.00 98.33 11 A 1 ATOM 93 C CB . ALA A 1 11 ? 2.691 2.181 2.070 1.00 98.12 11 A 1 ATOM 94 N N . LEU A 1 12 ? 3.153 0.526 -0.563 1.00 98.25 12 A 1 ATOM 95 C CA . LEU A 1 12 ? 3.946 -0.406 -1.351 1.00 98.09 12 A 1 ATOM 96 C C . LEU A 1 12 ? 4.184 0.146 -2.748 1.00 98.33 12 A 1 ATOM 97 O O . LEU A 1 12 ? 5.278 0.014 -3.296 1.00 98.15 12 A 1 ATOM 98 C CB . LEU A 1 12 ? 3.234 -1.756 -1.430 1.00 97.73 12 A 1 ATOM 99 C CG . LEU A 1 12 ? 4.097 -2.896 -1.968 1.00 94.10 12 A 1 ATOM 100 C CD1 . LEU A 1 12 ? 5.243 -3.200 -1.022 1.00 91.79 12 A 1 ATOM 101 C CD2 . LEU A 1 12 ? 3.252 -4.138 -2.182 1.00 92.24 12 A 1 ATOM 102 N N . ALA A 1 13 ? 3.169 0.757 -3.315 1.00 98.47 13 A 1 ATOM 103 C CA . ALA A 1 13 ? 3.275 1.352 -4.642 1.00 98.44 13 A 1 ATOM 104 C C . ALA A 1 13 ? 4.301 2.478 -4.651 1.00 98.61 13 A 1 ATOM 105 O O . ALA A 1 13 ? 5.073 2.611 -5.601 1.00 98.32 13 A 1 ATOM 106 C CB . ALA A 1 13 ? 1.914 1.871 -5.086 1.00 98.11 13 A 1 ATOM 107 N N . VAL A 1 14 ? 4.310 3.274 -3.600 1.00 98.56 14 A 1 ATOM 108 C CA . VAL A 1 14 ? 5.270 4.369 -3.472 1.00 98.48 14 A 1 ATOM 109 C C . VAL A 1 14 ? 6.681 3.826 -3.331 1.00 98.60 14 A 1 ATOM 110 O O . VAL A 1 14 ? 7.624 4.368 -3.916 1.00 98.34 14 A 1 ATOM 111 C CB . VAL A 1 14 ? 4.922 5.258 -2.269 1.00 98.05 14 A 1 ATOM 112 C CG1 . VAL A 1 14 ? 6.020 6.288 -2.023 1.00 96.62 14 A 1 ATOM 113 C CG2 . VAL A 1 14 ? 3.598 5.959 -2.499 1.00 96.44 14 A 1 ATOM 114 N N . ALA A 1 15 ? 6.821 2.758 -2.561 1.00 98.54 15 A 1 ATOM 115 C CA . ALA A 1 15 ? 8.127 2.139 -2.354 1.00 98.49 15 A 1 ATOM 116 C C . ALA A 1 15 ? 8.630 1.474 -3.629 1.00 98.59 15 A 1 ATOM 117 O O . ALA A 1 15 ? 9.835 1.433 -3.881 1.00 98.15 15 A 1 ATOM 118 C CB . ALA A 1 15 ? 8.048 1.119 -1.222 1.00 98.18 15 A 1 ATOM 119 N N . LEU A 1 16 ? 7.701 0.942 -4.419 1.00 98.21 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 8.046 0.264 -5.662 1.00 98.03 16 A 1 ATOM 121 C C . LEU A 1 16 ? 8.272 1.253 -6.799 1.00 98.15 16 A 1 ATOM 122 O O . LEU A 1 16 ? 8.987 0.949 -7.756 1.00 97.51 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 6.936 -0.720 -6.049 1.00 97.45 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 7.436 -1.947 -6.804 1.00 95.69 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? 7.930 -3.007 -5.836 1.00 93.41 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? 6.340 -2.515 -7.691 1.00 92.49 16 A 1 ATOM 127 N N . ALA A 1 17 ? 7.652 2.411 -6.689 1.00 97.13 17 A 1 ATOM 128 C CA . ALA A 1 17 ? 7.741 3.440 -7.721 1.00 96.18 17 A 1 ATOM 129 C C . ALA A 1 17 ? 9.110 4.117 -7.685 1.00 95.36 17 A 1 ATOM 130 O O . ALA A 1 17 ? 9.715 4.300 -8.754 1.00 92.56 17 A 1 ATOM 131 C CB . ALA A 1 17 ? 6.627 4.465 -7.541 1.00 93.84 17 A 1 ATOM 132 O OXT . ALA A 1 17 ? 9.556 4.479 -6.599 1.00 86.75 17 A 1 #