# 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_spkb30179 # _entry.id spkb30179 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)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 LYS 2 1 n LEU 3 1 n GLY 4 1 n TRP 5 1 n LEU 6 1 n GLU 7 1 n ALA 8 1 n ALA 9 1 n ALA 10 1 n LEU 11 1 n THR 12 1 n ALA 13 1 n ALA 14 1 n SER 15 1 n VAL 16 1 n ALA 17 1 n SER 18 1 n ALA 19 # _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 @ 2025-07-11 21:58:34)" _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 90.09 _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 74.61 1 1 A LYS 2 2 78.72 1 2 A LEU 3 2 85.82 1 3 A GLY 4 2 94.17 1 4 A TRP 5 2 90.74 1 5 A LEU 6 2 91.47 1 6 A GLU 7 2 87.82 1 7 A ALA 8 2 95.44 1 8 A ALA 9 2 95.16 1 9 A ALA 10 2 95.72 1 10 A LEU 11 2 93.18 1 11 A THR 12 2 94.59 1 12 A ALA 13 2 96.35 1 13 A ALA 14 2 96.53 1 14 A SER 15 2 94.93 1 15 A VAL 16 2 95.73 1 16 A ALA 17 2 95.79 1 17 A SER 18 2 90.56 1 18 A ALA 19 2 80.97 1 19 # _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 LEU . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n ALA . 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 ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -11.988 4.548 1.366 1.00 78.07 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.107 3.111 1.069 1.00 80.40 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.395 2.275 2.135 1.00 82.40 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.202 2.428 2.358 1.00 78.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.491 2.802 -0.293 1.00 74.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.089 3.373 -0.436 1.00 72.28 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.446 3.147 -2.104 1.00 69.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.302 4.504 -2.187 1.00 60.50 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.147 1.403 2.777 1.00 81.24 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.606 0.519 3.810 1.00 86.69 2 A 1 ATOM 11 C C . LYS A 1 2 ? -11.269 -0.855 3.250 1.00 88.09 2 A 1 ATOM 12 O O . LYS A 1 2 ? -10.735 -1.708 3.961 1.00 86.35 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -12.637 0.378 4.935 1.00 81.01 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.953 -0.153 4.412 1.00 76.31 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -15.012 -0.113 5.500 1.00 75.02 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -14.886 -1.304 6.412 1.00 69.38 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.888 -1.241 7.489 1.00 64.39 2 A 1 ATOM 18 N N . LEU A 1 3 ? -11.569 -1.061 1.977 1.00 86.79 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -11.319 -2.342 1.320 1.00 90.59 3 A 1 ATOM 20 C C . LEU A 1 3 ? -10.063 -2.269 0.458 1.00 92.55 3 A 1 ATOM 21 O O . LEU A 1 3 ? -9.750 -1.227 -0.112 1.00 88.71 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -12.527 -2.710 0.456 1.00 87.69 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -13.779 -3.018 1.279 1.00 83.23 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -15.009 -2.995 0.388 1.00 80.24 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -13.645 -4.382 1.943 1.00 76.74 3 A 1 ATOM 26 N N . GLY A 1 4 ? -9.350 -3.381 0.358 1.00 93.05 4 A 1 ATOM 27 C CA . GLY A 1 4 ? -8.134 -3.401 -0.459 1.00 93.93 4 A 1 ATOM 28 C C . GLY A 1 4 ? -6.998 -2.638 0.185 1.00 95.24 4 A 1 ATOM 29 O O . GLY A 1 4 ? -6.125 -2.120 -0.503 1.00 94.44 4 A 1 ATOM 30 N N . TRP A 1 5 ? -7.005 -2.569 1.509 1.00 93.30 5 A 1 ATOM 31 C CA . TRP A 1 5 ? -5.945 -1.860 2.224 1.00 94.08 5 A 1 ATOM 32 C C . TRP A 1 5 ? -4.621 -2.598 2.040 1.00 95.27 5 A 1 ATOM 33 O O . TRP A 1 5 ? -3.552 -1.989 2.065 1.00 94.48 5 A 1 ATOM 34 C CB . TRP A 1 5 ? -6.297 -1.767 3.707 1.00 93.18 5 A 1 ATOM 35 C CG . TRP A 1 5 ? -6.565 -3.107 4.312 1.00 91.87 5 A 1 ATOM 36 C CD1 . TRP A 1 5 ? -7.756 -3.761 4.322 1.00 90.38 5 A 1 ATOM 37 C CD2 . TRP A 1 5 ? -5.618 -3.963 4.980 1.00 91.18 5 A 1 ATOM 38 N NE1 . TRP A 1 5 ? -7.609 -4.974 4.958 1.00 88.69 5 A 1 ATOM 39 C CE2 . TRP A 1 5 ? -6.299 -5.117 5.377 1.00 90.06 5 A 1 ATOM 40 C CE3 . TRP A 1 5 ? -4.258 -3.838 5.287 1.00 88.15 5 A 1 ATOM 41 C CZ2 . TRP A 1 5 ? -5.662 -6.158 6.065 1.00 87.92 5 A 1 ATOM 42 C CZ3 . TRP A 1 5 ? -3.620 -4.872 5.973 1.00 86.28 5 A 1 ATOM 43 C CH2 . TRP A 1 5 ? -4.324 -6.015 6.350 1.00 85.54 5 A 1 ATOM 44 N N . LEU A 1 6 ? -4.697 -3.889 1.836 1.00 92.36 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -3.494 -4.697 1.629 1.00 93.59 6 A 1 ATOM 46 C C . LEU A 1 6 ? -2.820 -4.327 0.314 1.00 94.86 6 A 1 ATOM 47 O O . LEU A 1 6 ? -1.596 -4.323 0.209 1.00 94.44 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -3.873 -6.177 1.623 1.00 92.50 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -4.158 -6.716 3.026 1.00 90.24 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -4.884 -8.052 2.946 1.00 87.74 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -2.855 -6.877 3.796 1.00 85.99 6 A 1 ATOM 52 N N . GLU A 1 7 ? -3.610 -4.006 -0.684 1.00 94.31 7 A 1 ATOM 53 C CA . GLU A 1 7 ? -3.076 -3.621 -1.994 1.00 94.71 7 A 1 ATOM 54 C C . GLU A 1 7 ? -2.235 -2.358 -1.861 1.00 95.56 7 A 1 ATOM 55 O O . GLU A 1 7 ? -1.126 -2.276 -2.390 1.00 95.61 7 A 1 ATOM 56 C CB . GLU A 1 7 ? -4.225 -3.367 -2.960 1.00 93.73 7 A 1 ATOM 57 C CG . GLU A 1 7 ? -4.977 -4.639 -3.292 1.00 84.53 7 A 1 ATOM 58 C CD . GLU A 1 7 ? -6.138 -4.356 -4.216 1.00 80.58 7 A 1 ATOM 59 O OE1 . GLU A 1 7 ? -7.084 -3.692 -3.773 1.00 73.70 7 A 1 ATOM 60 O OE2 . GLU A 1 7 ? -6.090 -4.778 -5.378 1.00 77.62 7 A 1 ATOM 61 N N . ALA A 1 8 ? -2.755 -1.377 -1.160 1.00 95.20 8 A 1 ATOM 62 C CA . ALA A 1 8 ? -2.040 -0.122 -0.956 1.00 95.40 8 A 1 ATOM 63 C C . ALA A 1 8 ? -0.790 -0.347 -0.115 1.00 96.44 8 A 1 ATOM 64 O O . ALA A 1 8 ? 0.271 0.199 -0.410 1.00 95.98 8 A 1 ATOM 65 C CB . ALA A 1 8 ? -2.961 0.885 -0.281 1.00 94.16 8 A 1 ATOM 66 N N . ALA A 1 9 ? -0.909 -1.150 0.927 1.00 94.95 9 A 1 ATOM 67 C CA . ALA A 1 9 ? 0.222 -1.434 1.805 1.00 95.05 9 A 1 ATOM 68 C C . ALA A 1 9 ? 1.342 -2.142 1.050 1.00 96.23 9 A 1 ATOM 69 O O . ALA A 1 9 ? 2.511 -1.772 1.165 1.00 95.78 9 A 1 ATOM 70 C CB . ALA A 1 9 ? -0.245 -2.290 2.975 1.00 93.81 9 A 1 ATOM 71 N N . ALA A 1 10 ? 0.994 -3.153 0.280 1.00 95.51 10 A 1 ATOM 72 C CA . ALA A 1 10 ? 1.980 -3.912 -0.486 1.00 95.71 10 A 1 ATOM 73 C C . ALA A 1 10 ? 2.665 -3.032 -1.524 1.00 96.60 10 A 1 ATOM 74 O O . ALA A 1 10 ? 3.888 -3.038 -1.656 1.00 95.98 10 A 1 ATOM 75 C CB . ALA A 1 10 ? 1.301 -5.094 -1.170 1.00 94.82 10 A 1 ATOM 76 N N . LEU A 1 11 ? 1.881 -2.274 -2.258 1.00 95.45 11 A 1 ATOM 77 C CA . LEU A 1 11 ? 2.421 -1.390 -3.291 1.00 95.65 11 A 1 ATOM 78 C C . LEU A 1 11 ? 3.279 -0.298 -2.672 1.00 96.73 11 A 1 ATOM 79 O O . LEU A 1 11 ? 4.336 0.046 -3.194 1.00 96.44 11 A 1 ATOM 80 C CB . LEU A 1 11 ? 1.271 -0.768 -4.077 1.00 94.80 11 A 1 ATOM 81 C CG . LEU A 1 11 ? 0.650 -1.736 -5.084 1.00 89.68 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -0.688 -1.210 -5.575 1.00 88.69 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? 1.595 -1.932 -6.266 1.00 87.99 11 A 1 ATOM 84 N N . THR A 1 12 ? 2.832 0.242 -1.574 1.00 95.63 12 A 1 ATOM 85 C CA . THR A 1 12 ? 3.574 1.303 -0.888 1.00 95.96 12 A 1 ATOM 86 C C . THR A 1 12 ? 4.941 0.793 -0.448 1.00 97.02 12 A 1 ATOM 87 O O . THR A 1 12 ? 5.955 1.463 -0.639 1.00 96.88 12 A 1 ATOM 88 C CB . THR A 1 12 ? 2.799 1.792 0.336 1.00 94.70 12 A 1 ATOM 89 O OG1 . THR A 1 12 ? 1.531 2.286 -0.070 1.00 91.29 12 A 1 ATOM 90 C CG2 . THR A 1 12 ? 3.552 2.925 1.020 1.00 90.63 12 A 1 ATOM 91 N N . ALA A 1 13 ? 4.972 -0.394 0.139 1.00 96.68 13 A 1 ATOM 92 C CA . ALA A 1 13 ? 6.229 -0.976 0.603 1.00 96.45 13 A 1 ATOM 93 C C . ALA A 1 13 ? 7.198 -1.172 -0.557 1.00 97.16 13 A 1 ATOM 94 O O . ALA A 1 13 ? 8.377 -0.832 -0.462 1.00 96.32 13 A 1 ATOM 95 C CB . ALA A 1 13 ? 5.959 -2.311 1.285 1.00 95.16 13 A 1 ATOM 96 N N . ALA A 1 14 ? 6.710 -1.719 -1.654 1.00 97.08 14 A 1 ATOM 97 C CA . ALA A 1 14 ? 7.544 -1.953 -2.831 1.00 96.62 14 A 1 ATOM 98 C C . ALA A 1 14 ? 8.004 -0.641 -3.449 1.00 97.26 14 A 1 ATOM 99 O O . ALA A 1 14 ? 9.158 -0.499 -3.848 1.00 96.12 14 A 1 ATOM 100 C CB . ALA A 1 14 ? 6.762 -2.768 -3.854 1.00 95.57 14 A 1 ATOM 101 N N . SER A 1 15 ? 7.112 0.319 -3.531 1.00 96.90 15 A 1 ATOM 102 C CA . SER A 1 15 ? 7.426 1.629 -4.106 1.00 96.81 15 A 1 ATOM 103 C C . SER A 1 15 ? 8.510 2.331 -3.298 1.00 97.32 15 A 1 ATOM 104 O O . SER A 1 15 ? 9.476 2.856 -3.853 1.00 96.47 15 A 1 ATOM 105 C CB . SER A 1 15 ? 6.172 2.498 -4.146 1.00 95.63 15 A 1 ATOM 106 O OG . SER A 1 15 ? 6.467 3.744 -4.736 1.00 86.45 15 A 1 ATOM 107 N N . VAL A 1 16 ? 8.369 2.331 -1.996 1.00 97.15 16 A 1 ATOM 108 C CA . VAL A 1 16 ? 9.349 2.974 -1.113 1.00 97.05 16 A 1 ATOM 109 C C . VAL A 1 16 ? 10.704 2.288 -1.232 1.00 97.43 16 A 1 ATOM 110 O O . VAL A 1 16 ? 11.745 2.945 -1.300 1.00 96.75 16 A 1 ATOM 111 C CB . VAL A 1 16 ? 8.868 2.930 0.345 1.00 95.78 16 A 1 ATOM 112 C CG1 . VAL A 1 16 ? 9.943 3.464 1.278 1.00 92.49 16 A 1 ATOM 113 C CG2 . VAL A 1 16 ? 7.598 3.753 0.496 1.00 93.44 16 A 1 ATOM 114 N N . ALA A 1 17 ? 10.705 0.975 -1.248 1.00 96.69 17 A 1 ATOM 115 C CA . ALA A 1 17 ? 11.949 0.212 -1.358 1.00 96.09 17 A 1 ATOM 116 C C . ALA A 1 17 ? 12.641 0.479 -2.693 1.00 96.29 17 A 1 ATOM 117 O O . ALA A 1 17 ? 13.868 0.502 -2.775 1.00 95.01 17 A 1 ATOM 118 C CB . ALA A 1 17 ? 11.651 -1.276 -1.215 1.00 94.85 17 A 1 ATOM 119 N N . SER A 1 18 ? 11.863 0.675 -3.731 1.00 94.34 18 A 1 ATOM 120 C CA . SER A 1 18 ? 12.401 0.946 -5.069 1.00 93.85 18 A 1 ATOM 121 C C . SER A 1 18 ? 13.156 2.269 -5.106 1.00 93.84 18 A 1 ATOM 122 O O . SER A 1 18 ? 14.222 2.377 -5.714 1.00 89.55 18 A 1 ATOM 123 C CB . SER A 1 18 ? 11.269 0.978 -6.090 1.00 90.90 18 A 1 ATOM 124 O OG . SER A 1 18 ? 11.789 1.164 -7.392 1.00 80.85 18 A 1 ATOM 125 N N . ALA A 1 19 ? 12.618 3.276 -4.446 1.00 87.65 19 A 1 ATOM 126 C CA . ALA A 1 19 ? 13.241 4.602 -4.426 1.00 84.56 19 A 1 ATOM 127 C C . ALA A 1 19 ? 14.002 4.816 -3.121 1.00 82.03 19 A 1 ATOM 128 O O . ALA A 1 19 ? 13.389 5.199 -2.119 1.00 77.27 19 A 1 ATOM 129 C CB . ALA A 1 19 ? 12.184 5.678 -4.615 1.00 79.16 19 A 1 ATOM 130 O OXT . ALA A 1 19 ? 15.216 4.594 -3.113 1.00 75.13 19 A 1 #