# 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_spkb42454 # _entry.id spkb42454 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 LYS 3 1 n PRO 4 1 n VAL 5 1 n VAL 6 1 n ILE 7 1 n GLY 8 1 n LEU 9 1 n VAL 10 1 n ILE 11 1 n ALA 12 1 n ALA 13 1 n ILE 14 1 n VAL 15 1 n ALA 16 1 n VAL 17 1 n ILE 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 @ 2025-07-05 04:59:38)" _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 95.16 _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 85.16 1 1 A LYS 2 2 87.18 1 2 A LYS 3 2 89.79 1 3 A PRO 4 2 97.11 1 4 A VAL 5 2 97.00 1 5 A VAL 6 2 97.67 1 6 A ILE 7 2 96.57 1 7 A GLY 8 2 98.02 1 8 A LEU 9 2 95.61 1 9 A VAL 10 2 97.68 1 10 A ILE 11 2 96.59 1 11 A ALA 12 2 98.24 1 12 A ALA 13 2 98.44 1 13 A ILE 14 2 96.87 1 14 A VAL 15 2 98.05 1 15 A ALA 16 2 98.64 1 16 A VAL 17 2 97.61 1 17 A ILE 18 2 95.85 1 18 A ALA 19 2 94.39 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 LYS . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ILE . 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 ? -8.459 13.820 9.137 1.00 89.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.201 13.089 9.395 1.00 91.35 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.167 11.780 8.611 1.00 92.32 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.450 10.713 9.149 1.00 89.10 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.072 12.786 10.880 1.00 87.53 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.948 14.044 11.711 1.00 83.05 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.790 13.690 13.467 1.00 78.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.703 15.335 14.119 1.00 69.99 1 A 1 ATOM 9 N N . LYS A 1 2 ? -6.816 11.859 7.336 1.00 93.21 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -6.749 10.693 6.464 1.00 93.96 2 A 1 ATOM 11 C C . LYS A 1 2 ? -5.324 10.503 5.950 1.00 94.75 2 A 1 ATOM 12 O O . LYS A 1 2 ? -4.605 11.473 5.713 1.00 93.08 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -7.706 10.866 5.289 1.00 92.25 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -7.405 12.093 4.449 1.00 86.63 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -8.390 12.203 3.292 1.00 84.04 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -8.041 13.399 2.407 1.00 76.64 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -8.108 14.679 3.156 1.00 70.04 2 A 1 ATOM 18 N N . LYS A 1 3 ? -4.922 9.255 5.766 1.00 95.69 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -3.580 8.940 5.283 1.00 96.61 3 A 1 ATOM 20 C C . LYS A 1 3 ? -3.631 7.891 4.173 1.00 97.25 3 A 1 ATOM 21 O O . LYS A 1 3 ? -3.306 6.716 4.395 1.00 96.49 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -2.719 8.440 6.439 1.00 95.32 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -2.589 9.457 7.554 1.00 89.96 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -1.738 8.927 8.692 1.00 86.01 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -1.697 9.933 9.837 1.00 78.67 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -1.152 11.240 9.409 1.00 72.10 3 A 1 ATOM 27 N N . PRO A 1 4 ? -4.047 8.304 2.965 1.00 97.43 4 A 1 ATOM 28 C CA . PRO A 1 4 ? -4.145 7.401 1.813 1.00 97.86 4 A 1 ATOM 29 C C . PRO A 1 4 ? -2.787 6.843 1.407 1.00 98.30 4 A 1 ATOM 30 O O . PRO A 1 4 ? -2.690 5.704 0.940 1.00 98.01 4 A 1 ATOM 31 C CB . PRO A 1 4 ? -4.731 8.287 0.708 1.00 96.89 4 A 1 ATOM 32 C CG . PRO A 1 4 ? -4.363 9.684 1.105 1.00 94.83 4 A 1 ATOM 33 C CD . PRO A 1 4 ? -4.391 9.696 2.602 1.00 96.43 4 A 1 ATOM 34 N N . VAL A 1 5 ? -1.739 7.648 1.581 1.00 97.42 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -0.385 7.228 1.238 1.00 97.79 5 A 1 ATOM 36 C C . VAL A 1 5 ? 0.022 6.012 2.064 1.00 98.07 5 A 1 ATOM 37 O O . VAL A 1 5 ? 0.597 5.049 1.545 1.00 97.85 5 A 1 ATOM 38 C CB . VAL A 1 5 ? 0.617 8.367 1.468 1.00 97.45 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? 2.027 7.905 1.146 1.00 95.29 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? 0.247 9.574 0.619 1.00 95.10 5 A 1 ATOM 41 N N . VAL A 1 6 ? -0.285 6.069 3.363 1.00 98.02 6 A 1 ATOM 42 C CA . VAL A 1 6 ? 0.046 4.972 4.268 1.00 98.27 6 A 1 ATOM 43 C C . VAL A 1 6 ? -0.669 3.697 3.837 1.00 98.33 6 A 1 ATOM 44 O O . VAL A 1 6 ? -0.083 2.611 3.823 1.00 98.18 6 A 1 ATOM 45 C CB . VAL A 1 6 ? -0.338 5.315 5.714 1.00 98.11 6 A 1 ATOM 46 C CG1 . VAL A 1 6 ? -0.059 4.139 6.634 1.00 96.44 6 A 1 ATOM 47 C CG2 . VAL A 1 6 ? 0.426 6.545 6.178 1.00 96.37 6 A 1 ATOM 48 N N . ILE A 1 7 ? -1.955 3.846 3.499 1.00 98.08 7 A 1 ATOM 49 C CA . ILE A 1 7 ? -2.753 2.707 3.057 1.00 98.04 7 A 1 ATOM 50 C C . ILE A 1 7 ? -2.129 2.079 1.821 1.00 98.04 7 A 1 ATOM 51 O O . ILE A 1 7 ? -1.998 0.853 1.725 1.00 97.90 7 A 1 ATOM 52 C CB . ILE A 1 7 ? -4.195 3.135 2.753 1.00 97.92 7 A 1 ATOM 53 C CG1 . ILE A 1 7 ? -4.864 3.703 4.009 1.00 96.06 7 A 1 ATOM 54 C CG2 . ILE A 1 7 ? -4.988 1.939 2.224 1.00 95.77 7 A 1 ATOM 55 C CD1 . ILE A 1 7 ? -4.913 2.709 5.152 1.00 90.76 7 A 1 ATOM 56 N N . GLY A 1 8 ? -1.763 2.923 0.873 1.00 98.00 8 A 1 ATOM 57 C CA . GLY A 1 8 ? -1.143 2.442 -0.356 1.00 97.85 8 A 1 ATOM 58 C C . GLY A 1 8 ? 0.136 1.679 -0.069 1.00 98.17 8 A 1 ATOM 59 O O . GLY A 1 8 ? 0.417 0.646 -0.685 1.00 98.04 8 A 1 ATOM 60 N N . LEU A 1 9 ? 0.916 2.195 0.874 1.00 97.78 9 A 1 ATOM 61 C CA . LEU A 1 9 ? 2.173 1.555 1.258 1.00 97.87 9 A 1 ATOM 62 C C . LEU A 1 9 ? 1.914 0.174 1.845 1.00 98.18 9 A 1 ATOM 63 O O . LEU A 1 9 ? 2.623 -0.789 1.537 1.00 98.06 9 A 1 ATOM 64 C CB . LEU A 1 9 ? 2.907 2.420 2.282 1.00 97.61 9 A 1 ATOM 65 C CG . LEU A 1 9 ? 4.287 1.878 2.662 1.00 92.82 9 A 1 ATOM 66 C CD1 . LEU A 1 9 ? 5.214 1.902 1.467 1.00 90.87 9 A 1 ATOM 67 C CD2 . LEU A 1 9 ? 4.876 2.690 3.811 1.00 91.70 9 A 1 ATOM 68 N N . VAL A 1 10 ? 0.898 0.089 2.706 1.00 97.97 10 A 1 ATOM 69 C CA . VAL A 1 10 ? 0.535 -1.175 3.340 1.00 98.17 10 A 1 ATOM 70 C C . VAL A 1 10 ? 0.115 -2.190 2.286 1.00 98.33 10 A 1 ATOM 71 O O . VAL A 1 10 ? 0.521 -3.356 2.327 1.00 98.19 10 A 1 ATOM 72 C CB . VAL A 1 10 ? -0.605 -0.977 4.353 1.00 97.95 10 A 1 ATOM 73 C CG1 . VAL A 1 10 ? -1.073 -2.316 4.905 1.00 96.77 10 A 1 ATOM 74 C CG2 . VAL A 1 10 ? -0.145 -0.074 5.489 1.00 96.38 10 A 1 ATOM 75 N N . ILE A 1 11 ? -0.717 -1.742 1.347 1.00 98.04 11 A 1 ATOM 76 C CA . ILE A 1 11 ? -1.187 -2.615 0.276 1.00 98.07 11 A 1 ATOM 77 C C . ILE A 1 11 ? -0.007 -3.144 -0.526 1.00 98.30 11 A 1 ATOM 78 O O . ILE A 1 11 ? 0.064 -4.334 -0.852 1.00 98.19 11 A 1 ATOM 79 C CB . ILE A 1 11 ? -2.156 -1.870 -0.650 1.00 97.75 11 A 1 ATOM 80 C CG1 . ILE A 1 11 ? -3.412 -1.438 0.120 1.00 95.92 11 A 1 ATOM 81 C CG2 . ILE A 1 11 ? -2.538 -2.759 -1.830 1.00 95.68 11 A 1 ATOM 82 C CD1 . ILE A 1 11 ? -4.182 -2.607 0.699 1.00 90.77 11 A 1 ATOM 83 N N . ALA A 1 12 ? 0.914 -2.252 -0.846 1.00 98.34 12 A 1 ATOM 84 C CA . ALA A 1 12 ? 2.097 -2.633 -1.606 1.00 98.32 12 A 1 ATOM 85 C C . ALA A 1 12 ? 2.906 -3.687 -0.855 1.00 98.48 12 A 1 ATOM 86 O O . ALA A 1 12 ? 3.421 -4.636 -1.452 1.00 98.17 12 A 1 ATOM 87 C CB . ALA A 1 12 ? 2.962 -1.407 -1.870 1.00 97.90 12 A 1 ATOM 88 N N . ALA A 1 13 ? 3.015 -3.509 0.458 1.00 98.48 13 A 1 ATOM 89 C CA . ALA A 1 13 ? 3.750 -4.449 1.298 1.00 98.51 13 A 1 ATOM 90 C C . ALA A 1 13 ? 3.094 -5.824 1.269 1.00 98.62 13 A 1 ATOM 91 O O . ALA A 1 13 ? 3.774 -6.849 1.172 1.00 98.30 13 A 1 ATOM 92 C CB . ALA A 1 13 ? 3.816 -3.932 2.731 1.00 98.27 13 A 1 ATOM 93 N N . ILE A 1 14 ? 1.764 -5.836 1.364 1.00 98.48 14 A 1 ATOM 94 C CA . ILE A 1 14 ? 1.007 -7.085 1.347 1.00 98.49 14 A 1 ATOM 95 C C . ILE A 1 14 ? 1.241 -7.821 0.034 1.00 98.65 14 A 1 ATOM 96 O O . ILE A 1 14 ? 1.481 -9.033 0.012 1.00 98.42 14 A 1 ATOM 97 C CB . ILE A 1 14 ? -0.497 -6.820 1.537 1.00 98.15 14 A 1 ATOM 98 C CG1 . ILE A 1 14 ? -0.761 -6.229 2.924 1.00 95.78 14 A 1 ATOM 99 C CG2 . ILE A 1 14 ? -1.291 -8.110 1.353 1.00 95.73 14 A 1 ATOM 100 C CD1 . ILE A 1 14 ? -2.162 -5.678 3.081 1.00 91.28 14 A 1 ATOM 101 N N . VAL A 1 15 ? 1.147 -7.081 -1.070 1.00 98.76 15 A 1 ATOM 102 C CA . VAL A 1 15 ? 1.354 -7.662 -2.392 1.00 98.73 15 A 1 ATOM 103 C C . VAL A 1 15 ? 2.767 -8.223 -2.508 1.00 98.79 15 A 1 ATOM 104 O O . VAL A 1 15 ? 2.978 -9.306 -3.068 1.00 98.56 15 A 1 ATOM 105 C CB . VAL A 1 15 ? 1.119 -6.618 -3.491 1.00 98.39 15 A 1 ATOM 106 C CG1 . VAL A 1 15 ? 1.448 -7.197 -4.858 1.00 96.26 15 A 1 ATOM 107 C CG2 . VAL A 1 15 ? -0.318 -6.130 -3.455 1.00 96.84 15 A 1 ATOM 108 N N . ALA A 1 16 ? 3.732 -7.482 -1.982 1.00 98.78 16 A 1 ATOM 109 C CA . ALA A 1 16 ? 5.127 -7.905 -2.025 1.00 98.74 16 A 1 ATOM 110 C C . ALA A 1 16 ? 5.324 -9.219 -1.279 1.00 98.77 16 A 1 ATOM 111 O O . ALA A 1 16 ? 6.068 -10.092 -1.726 1.00 98.42 16 A 1 ATOM 112 C CB . ALA A 1 16 ? 6.018 -6.826 -1.420 1.00 98.51 16 A 1 ATOM 113 N N . VAL A 1 17 ? 4.657 -9.355 -0.133 1.00 98.68 17 A 1 ATOM 114 C CA . VAL A 1 17 ? 4.751 -10.574 0.669 1.00 98.67 17 A 1 ATOM 115 C C . VAL A 1 17 ? 4.161 -11.759 -0.083 1.00 98.73 17 A 1 ATOM 116 O O . VAL A 1 17 ? 4.720 -12.860 -0.082 1.00 98.32 17 A 1 ATOM 117 C CB . VAL A 1 17 ? 4.029 -10.409 2.014 1.00 98.26 17 A 1 ATOM 118 C CG1 . VAL A 1 17 ? 4.021 -11.725 2.783 1.00 95.18 17 A 1 ATOM 119 C CG2 . VAL A 1 17 ? 4.701 -9.327 2.842 1.00 95.41 17 A 1 ATOM 120 N N . ILE A 1 18 ? 2.999 -11.519 -0.703 1.00 98.15 18 A 1 ATOM 121 C CA . ILE A 1 18 ? 2.325 -12.566 -1.463 1.00 98.13 18 A 1 ATOM 122 C C . ILE A 1 18 ? 3.147 -12.970 -2.684 1.00 98.32 18 A 1 ATOM 123 O O . ILE A 1 18 ? 3.255 -14.157 -3.012 1.00 97.87 18 A 1 ATOM 124 C CB . ILE A 1 18 ? 0.930 -12.102 -1.910 1.00 97.43 18 A 1 ATOM 125 C CG1 . ILE A 1 18 ? 0.046 -11.825 -0.695 1.00 93.71 18 A 1 ATOM 126 C CG2 . ILE A 1 18 ? 0.283 -13.154 -2.799 1.00 93.07 18 A 1 ATOM 127 C CD1 . ILE A 1 18 ? -1.249 -11.113 -1.052 1.00 90.09 18 A 1 ATOM 128 N N . ALA A 1 19 ? 3.703 -11.977 -3.360 1.00 97.70 19 A 1 ATOM 129 C CA . ALA A 1 19 ? 4.485 -12.205 -4.565 1.00 97.04 19 A 1 ATOM 130 C C . ALA A 1 19 ? 5.975 -12.012 -4.281 1.00 96.24 19 A 1 ATOM 131 O O . ALA A 1 19 ? 6.368 -10.948 -3.795 1.00 92.61 19 A 1 ATOM 132 C CB . ALA A 1 19 ? 4.032 -11.273 -5.677 1.00 95.37 19 A 1 ATOM 133 O OXT . ALA A 1 19 ? 6.768 -12.918 -4.557 1.00 87.41 19 A 1 #