# 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_765 # _entry.id 765 # 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 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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 ASP 2 1 n PHE 3 1 n PRO 4 1 n CYS 5 1 n LEU 6 1 n TRP 7 1 n LEU 8 1 n GLY 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n PRO 13 1 n LEU 14 1 n VAL 15 1 n ALA 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 @ 2025-05-29 01:38:25)" _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 84.81 _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 71.23 1 1 A ASP 2 2 76.21 1 2 A PHE 3 2 78.70 1 3 A PRO 4 2 84.63 1 4 A CYS 5 2 85.06 1 5 A LEU 6 2 85.35 1 6 A TRP 7 2 86.00 1 7 A LEU 8 2 87.40 1 8 A GLY 9 2 88.97 1 9 A LEU 10 2 88.22 1 10 A LEU 11 2 86.90 1 11 A LEU 12 2 87.27 1 12 A PRO 13 2 90.19 1 13 A LEU 14 2 88.83 1 14 A VAL 15 2 88.96 1 15 A ALA 16 2 90.63 1 16 A ALA 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 ASP . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n LEU . 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 ALA . 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 ? -12.703 2.591 7.331 1.00 75.21 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.309 2.740 7.774 1.00 77.39 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.391 1.757 7.044 1.00 79.16 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.922 0.780 7.613 1.00 75.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.223 2.503 9.276 1.00 72.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.116 3.319 9.909 1.00 68.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.201 3.261 11.697 1.00 63.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.475 4.835 12.098 1.00 57.41 1 A 1 ATOM 9 N N . ASP A 1 2 ? -10.129 2.021 5.787 1.00 76.24 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -9.277 1.151 4.977 1.00 81.16 2 A 1 ATOM 11 C C . ASP A 1 2 ? -7.832 1.642 5.014 1.00 84.42 2 A 1 ATOM 12 O O . ASP A 1 2 ? -7.390 2.370 4.126 1.00 81.37 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -9.784 1.126 3.541 1.00 75.99 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -11.276 0.911 3.468 1.00 71.38 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -11.848 0.419 4.449 1.00 69.79 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -11.862 1.236 2.416 1.00 69.32 2 A 1 ATOM 17 N N . PHE A 1 3 ? -7.108 1.223 6.044 1.00 82.14 3 A 1 ATOM 18 C CA . PHE A 1 3 ? -5.718 1.632 6.220 1.00 84.11 3 A 1 ATOM 19 C C . PHE A 1 3 ? -4.736 0.713 5.499 1.00 87.02 3 A 1 ATOM 20 O O . PHE A 1 3 ? -3.811 1.190 4.836 1.00 85.88 3 A 1 ATOM 21 C CB . PHE A 1 3 ? -5.397 1.667 7.713 1.00 81.31 3 A 1 ATOM 22 C CG . PHE A 1 3 ? -4.744 2.946 8.135 1.00 77.58 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? -3.395 3.136 7.933 1.00 75.79 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? -5.485 3.943 8.732 1.00 74.34 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? -2.785 4.308 8.317 1.00 72.60 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? -4.883 5.122 9.122 1.00 73.60 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? -3.530 5.305 8.915 1.00 71.37 3 A 1 ATOM 28 N N . PRO A 1 4 ? -4.902 -0.603 5.616 1.00 83.92 4 A 1 ATOM 29 C CA . PRO A 1 4 ? -3.988 -1.558 4.974 1.00 85.89 4 A 1 ATOM 30 C C . PRO A 1 4 ? -3.878 -1.362 3.471 1.00 88.11 4 A 1 ATOM 31 O O . PRO A 1 4 ? -2.779 -1.346 2.921 1.00 85.39 4 A 1 ATOM 32 C CB . PRO A 1 4 ? -4.602 -2.923 5.310 1.00 83.39 4 A 1 ATOM 33 C CG . PRO A 1 4 ? -6.014 -2.642 5.658 1.00 81.17 4 A 1 ATOM 34 C CD . PRO A 1 4 ? -6.020 -1.277 6.278 1.00 84.52 4 A 1 ATOM 35 N N . CYS A 1 5 ? -5.006 -1.235 2.806 1.00 84.96 5 A 1 ATOM 36 C CA . CYS A 1 5 ? -5.016 -1.048 1.357 1.00 87.06 5 A 1 ATOM 37 C C . CYS A 1 5 ? -4.413 0.299 0.967 1.00 88.15 5 A 1 ATOM 38 O O . CYS A 1 5 ? -3.729 0.416 -0.045 1.00 85.55 5 A 1 ATOM 39 C CB . CYS A 1 5 ? -6.447 -1.145 0.830 1.00 84.00 5 A 1 ATOM 40 S SG . CYS A 1 5 ? -7.070 -2.837 0.818 1.00 80.63 5 A 1 ATOM 41 N N . LEU A 1 6 ? -4.677 1.293 1.768 1.00 86.45 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -4.167 2.636 1.512 1.00 87.80 6 A 1 ATOM 43 C C . LEU A 1 6 ? -2.672 2.732 1.805 1.00 89.79 6 A 1 ATOM 44 O O . LEU A 1 6 ? -1.919 3.342 1.054 1.00 88.92 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -4.929 3.649 2.364 1.00 87.07 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -4.928 5.051 1.790 1.00 83.17 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -5.920 5.157 0.639 1.00 80.38 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -5.267 6.059 2.871 1.00 79.19 6 A 1 ATOM 49 N N . TRP A 1 7 ? -2.247 2.113 2.894 1.00 87.20 7 A 1 ATOM 50 C CA . TRP A 1 7 ? -0.848 2.144 3.299 1.00 88.04 7 A 1 ATOM 51 C C . TRP A 1 7 ? 0.023 1.341 2.343 1.00 89.35 7 A 1 ATOM 52 O O . TRP A 1 7 ? 1.093 1.780 1.940 1.00 89.05 7 A 1 ATOM 53 C CB . TRP A 1 7 ? -0.714 1.596 4.721 1.00 87.20 7 A 1 ATOM 54 C CG . TRP A 1 7 ? -0.136 2.609 5.650 1.00 86.83 7 A 1 ATOM 55 C CD1 . TRP A 1 7 ? -0.727 3.132 6.756 1.00 84.91 7 A 1 ATOM 56 C CD2 . TRP A 1 7 ? 1.152 3.226 5.557 1.00 86.50 7 A 1 ATOM 57 N NE1 . TRP A 1 7 ? 0.111 4.033 7.348 1.00 83.87 7 A 1 ATOM 58 C CE2 . TRP A 1 7 ? 1.271 4.118 6.638 1.00 86.04 7 A 1 ATOM 59 C CE3 . TRP A 1 7 ? 2.218 3.115 4.665 1.00 85.43 7 A 1 ATOM 60 C CZ2 . TRP A 1 7 ? 2.424 4.882 6.832 1.00 84.83 7 A 1 ATOM 61 C CZ3 . TRP A 1 7 ? 3.361 3.878 4.864 1.00 82.42 7 A 1 ATOM 62 C CH2 . TRP A 1 7 ? 3.455 4.746 5.936 1.00 82.30 7 A 1 ATOM 63 N N . LEU A 1 8 ? -0.460 0.174 1.959 1.00 88.89 8 A 1 ATOM 64 C CA . LEU A 1 8 ? 0.282 -0.692 1.045 1.00 89.39 8 A 1 ATOM 65 C C . LEU A 1 8 ? 0.522 0.001 -0.291 1.00 90.79 8 A 1 ATOM 66 O O . LEU A 1 8 ? 1.630 -0.022 -0.823 1.00 89.84 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -0.498 -1.989 0.832 1.00 88.91 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -0.359 -2.985 1.976 1.00 85.48 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -1.468 -4.021 1.916 1.00 83.37 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? 0.997 -3.667 1.915 1.00 82.50 8 A 1 ATOM 71 N N . GLY A 1 9 ? -0.511 0.591 -0.829 1.00 88.83 9 A 1 ATOM 72 C CA . GLY A 1 9 ? -0.404 1.292 -2.106 1.00 88.43 9 A 1 ATOM 73 C C . GLY A 1 9 ? 0.466 2.529 -2.009 1.00 90.06 9 A 1 ATOM 74 O O . GLY A 1 9 ? 1.077 2.947 -2.992 1.00 88.54 9 A 1 ATOM 75 N N . LEU A 1 10 ? 0.523 3.106 -0.839 1.00 89.92 10 A 1 ATOM 76 C CA . LEU A 1 10 ? 1.320 4.309 -0.610 1.00 90.13 10 A 1 ATOM 77 C C . LEU A 1 10 ? 2.766 3.969 -0.267 1.00 91.57 10 A 1 ATOM 78 O O . LEU A 1 10 ? 3.685 4.710 -0.613 1.00 89.98 10 A 1 ATOM 79 C CB . LEU A 1 10 ? 0.697 5.121 0.526 1.00 89.38 10 A 1 ATOM 80 C CG . LEU A 1 10 ? 1.190 6.553 0.603 1.00 86.75 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? 0.451 7.424 -0.404 1.00 84.56 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? 1.011 7.095 2.004 1.00 83.48 10 A 1 ATOM 83 N N . LEU A 1 11 ? 2.953 2.849 0.392 1.00 88.75 11 A 1 ATOM 84 C CA . LEU A 1 11 ? 4.285 2.416 0.806 1.00 88.61 11 A 1 ATOM 85 C C . LEU A 1 11 ? 5.072 1.823 -0.353 1.00 89.82 11 A 1 ATOM 86 O O . LEU A 1 11 ? 6.291 1.957 -0.414 1.00 88.67 11 A 1 ATOM 87 C CB . LEU A 1 11 ? 4.164 1.386 1.928 1.00 87.87 11 A 1 ATOM 88 C CG . LEU A 1 11 ? 5.438 1.202 2.736 1.00 85.47 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? 5.636 2.371 3.690 1.00 83.55 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? 5.387 -0.102 3.505 1.00 82.45 11 A 1 ATOM 91 N N . LEU A 1 12 ? 4.377 1.179 -1.271 1.00 88.74 12 A 1 ATOM 92 C CA . LEU A 1 12 ? 5.013 0.560 -2.435 1.00 89.11 12 A 1 ATOM 93 C C . LEU A 1 12 ? 5.904 1.550 -3.187 1.00 91.01 12 A 1 ATOM 94 O O . LEU A 1 12 ? 7.097 1.299 -3.375 1.00 90.12 12 A 1 ATOM 95 C CB . LEU A 1 12 ? 3.941 -0.009 -3.363 1.00 88.15 12 A 1 ATOM 96 C CG . LEU A 1 12 ? 4.486 -0.721 -4.592 1.00 85.09 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? 5.118 -2.046 -4.198 1.00 83.48 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? 3.370 -0.942 -5.597 1.00 82.43 12 A 1 ATOM 99 N N . PRO A 1 13 ? 5.351 2.666 -3.632 1.00 91.20 13 A 1 ATOM 100 C CA . PRO A 1 13 ? 6.140 3.669 -4.354 1.00 90.75 13 A 1 ATOM 101 C C . PRO A 1 13 ? 7.207 4.307 -3.477 1.00 91.95 13 A 1 ATOM 102 O O . PRO A 1 13 ? 8.246 4.745 -3.968 1.00 89.44 13 A 1 ATOM 103 C CB . PRO A 1 13 ? 5.096 4.705 -4.779 1.00 88.72 13 A 1 ATOM 104 C CG . PRO A 1 13 ? 3.971 4.525 -3.833 1.00 87.89 13 A 1 ATOM 105 C CD . PRO A 1 13 ? 3.957 3.060 -3.482 1.00 91.36 13 A 1 ATOM 106 N N . LEU A 1 14 ? 6.963 4.336 -2.200 1.00 89.95 14 A 1 ATOM 107 C CA . LEU A 1 14 ? 7.912 4.903 -1.250 1.00 90.75 14 A 1 ATOM 108 C C . LEU A 1 14 ? 9.151 4.026 -1.128 1.00 92.33 14 A 1 ATOM 109 O O . LEU A 1 14 ? 10.272 4.526 -1.025 1.00 91.20 14 A 1 ATOM 110 C CB . LEU A 1 14 ? 7.238 5.044 0.113 1.00 89.81 14 A 1 ATOM 111 C CG . LEU A 1 14 ? 8.007 5.910 1.093 1.00 87.18 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? 7.890 7.378 0.705 1.00 85.48 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? 7.491 5.694 2.499 1.00 83.90 14 A 1 ATOM 114 N N . VAL A 1 15 ? 8.947 2.721 -1.146 1.00 91.43 15 A 1 ATOM 115 C CA . VAL A 1 15 ? 10.049 1.765 -1.049 1.00 90.84 15 A 1 ATOM 116 C C . VAL A 1 15 ? 10.865 1.754 -2.334 1.00 91.64 15 A 1 ATOM 117 O O . VAL A 1 15 ? 12.065 1.477 -2.324 1.00 90.71 15 A 1 ATOM 118 C CB . VAL A 1 15 ? 9.514 0.354 -0.753 1.00 88.63 15 A 1 ATOM 119 C CG1 . VAL A 1 15 ? 10.627 -0.678 -0.831 1.00 84.77 15 A 1 ATOM 120 C CG2 . VAL A 1 15 ? 8.866 0.314 0.616 1.00 84.68 15 A 1 ATOM 121 N N . ALA A 1 16 ? 10.227 2.040 -3.445 1.00 91.18 16 A 1 ATOM 122 C CA . ALA A 1 16 ? 10.889 2.065 -4.747 1.00 90.85 16 A 1 ATOM 123 C C . ALA A 1 16 ? 11.890 3.211 -4.841 1.00 91.74 16 A 1 ATOM 124 O O . ALA A 1 16 ? 12.731 3.241 -5.737 1.00 90.12 16 A 1 ATOM 125 C CB . ALA A 1 16 ? 9.854 2.182 -5.856 1.00 89.25 16 A 1 ATOM 126 N N . ALA A 1 17 ? 11.794 4.146 -3.925 1.00 89.59 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 12.681 5.301 -3.909 1.00 87.89 17 A 1 ATOM 128 C C . ALA A 1 17 ? 14.106 4.912 -3.518 1.00 85.51 17 A 1 ATOM 129 O O . ALA A 1 17 ? 14.318 3.796 -3.021 1.00 81.59 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 12.137 6.349 -2.952 1.00 82.49 17 A 1 ATOM 131 O OXT . ALA A 1 17 ? 15.012 5.726 -3.706 1.00 75.91 17 A 1 #