# 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_spkb34192 # _entry.id spkb34192 # 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 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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" "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 ARG 2 1 n SER 3 1 n VAL 4 1 n ILE 5 1 n THR 6 1 n THR 7 1 n LEU 8 1 n THR 9 1 n LEU 10 1 n VAL 11 1 n ALA 12 1 n SER 13 1 n VAL 14 1 n GLY 15 1 n LEU 16 1 n ALA 17 1 n VAL 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 20:08:52)" _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 94.38 _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 86.61 1 1 A ARG 2 2 84.84 1 2 A SER 3 2 93.68 1 3 A VAL 4 2 95.68 1 4 A ILE 5 2 95.17 1 5 A THR 6 2 95.50 1 6 A THR 7 2 95.20 1 7 A LEU 8 2 96.56 1 8 A THR 9 2 96.40 1 9 A LEU 10 2 95.35 1 10 A VAL 11 2 97.54 1 11 A ALA 12 2 98.03 1 12 A SER 13 2 96.33 1 13 A VAL 14 2 97.28 1 14 A GLY 15 2 98.33 1 15 A LEU 16 2 95.31 1 16 A ALA 17 2 98.08 1 17 A VAL 18 2 95.91 1 18 A ALA 19 2 90.68 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 ARG . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 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 ? -13.061 -1.519 11.888 1.00 90.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.022 -0.562 11.440 1.00 92.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.340 -1.074 10.170 1.00 93.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.860 -2.202 10.146 1.00 90.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.967 -0.388 12.531 1.00 87.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.537 0.275 13.780 1.00 86.13 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.302 0.404 15.089 1.00 82.92 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.254 1.256 16.335 1.00 70.15 1 A 1 ATOM 9 N N . ARG A 1 2 ? -11.305 -0.260 9.129 1.00 92.19 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -10.660 -0.625 7.856 1.00 94.94 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.302 0.066 7.702 1.00 96.72 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.760 0.132 6.601 1.00 95.16 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.597 -0.288 6.685 1.00 92.01 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -12.038 1.163 6.645 1.00 86.16 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -11.153 1.997 5.715 1.00 84.71 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -11.288 1.578 4.306 1.00 77.26 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -10.769 2.230 3.280 1.00 76.17 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -10.066 3.328 3.455 1.00 68.96 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -10.955 1.776 2.057 1.00 68.98 2 A 1 ATOM 20 N N . SER A 1 3 ? -8.771 0.576 8.801 1.00 94.60 3 A 1 ATOM 21 C CA . SER A 1 3 ? -7.487 1.287 8.804 1.00 96.41 3 A 1 ATOM 22 C C . SER A 1 3 ? -6.332 0.358 8.428 1.00 97.74 3 A 1 ATOM 23 O O . SER A 1 3 ? -5.346 0.783 7.832 1.00 96.75 3 A 1 ATOM 24 C CB . SER A 1 3 ? -7.239 1.902 10.179 1.00 93.75 3 A 1 ATOM 25 O OG . SER A 1 3 ? -6.103 2.726 10.144 1.00 82.83 3 A 1 ATOM 26 N N . VAL A 1 4 ? -6.469 -0.923 8.754 1.00 96.24 4 A 1 ATOM 27 C CA . VAL A 1 4 ? -5.443 -1.926 8.443 1.00 97.21 4 A 1 ATOM 28 C C . VAL A 1 4 ? -5.224 -2.028 6.934 1.00 97.96 4 A 1 ATOM 29 O O . VAL A 1 4 ? -4.093 -2.170 6.467 1.00 97.53 4 A 1 ATOM 30 C CB . VAL A 1 4 ? -5.845 -3.297 9.010 1.00 96.31 4 A 1 ATOM 31 C CG1 . VAL A 1 4 ? -4.754 -4.326 8.757 1.00 92.32 4 A 1 ATOM 32 C CG2 . VAL A 1 4 ? -6.117 -3.199 10.506 1.00 92.22 4 A 1 ATOM 33 N N . ILE A 1 5 ? -6.301 -1.944 6.175 1.00 97.28 5 A 1 ATOM 34 C CA . ILE A 1 5 ? -6.233 -2.017 4.716 1.00 97.22 5 A 1 ATOM 35 C C . ILE A 1 5 ? -5.470 -0.817 4.164 1.00 97.73 5 A 1 ATOM 36 O O . ILE A 1 5 ? -4.656 -0.950 3.248 1.00 97.55 5 A 1 ATOM 37 C CB . ILE A 1 5 ? -7.646 -2.079 4.119 1.00 96.90 5 A 1 ATOM 38 C CG1 . ILE A 1 5 ? -8.417 -3.283 4.678 1.00 93.79 5 A 1 ATOM 39 C CG2 . ILE A 1 5 ? -7.567 -2.167 2.592 1.00 92.92 5 A 1 ATOM 40 C CD1 . ILE A 1 5 ? -9.902 -3.232 4.358 1.00 87.99 5 A 1 ATOM 41 N N . THR A 1 6 ? -5.724 0.346 4.728 1.00 97.40 6 A 1 ATOM 42 C CA . THR A 1 6 ? -5.055 1.580 4.307 1.00 97.16 6 A 1 ATOM 43 C C . THR A 1 6 ? -3.551 1.487 4.548 1.00 97.76 6 A 1 ATOM 44 O O . THR A 1 6 ? -2.754 1.877 3.696 1.00 97.61 6 A 1 ATOM 45 C CB . THR A 1 6 ? -5.623 2.782 5.068 1.00 96.66 6 A 1 ATOM 46 O OG1 . THR A 1 6 ? -7.041 2.785 4.967 1.00 91.63 6 A 1 ATOM 47 C CG2 . THR A 1 6 ? -5.096 4.089 4.505 1.00 90.27 6 A 1 ATOM 48 N N . THR A 1 7 ? -3.171 0.946 5.686 1.00 97.19 7 A 1 ATOM 49 C CA . THR A 1 7 ? -1.761 0.784 6.035 1.00 97.02 7 A 1 ATOM 50 C C . THR A 1 7 ? -1.076 -0.176 5.064 1.00 97.76 7 A 1 ATOM 51 O O . THR A 1 7 ? 0.021 0.101 4.576 1.00 97.53 7 A 1 ATOM 52 C CB . THR A 1 7 ? -1.622 0.256 7.466 1.00 96.67 7 A 1 ATOM 53 O OG1 . THR A 1 7 ? -2.359 1.086 8.353 1.00 90.84 7 A 1 ATOM 54 C CG2 . THR A 1 7 ? -0.168 0.253 7.906 1.00 89.38 7 A 1 ATOM 55 N N . LEU A 1 8 ? -1.727 -1.288 4.768 1.00 98.28 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -1.186 -2.272 3.830 1.00 98.32 8 A 1 ATOM 57 C C . LEU A 1 8 ? -1.059 -1.687 2.429 1.00 98.48 8 A 1 ATOM 58 O O . LEU A 1 8 ? -0.070 -1.932 1.735 1.00 98.32 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -2.099 -3.504 3.812 1.00 98.11 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -1.552 -4.655 4.655 1.00 95.06 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -2.669 -5.602 5.066 1.00 92.84 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -0.498 -5.419 3.864 1.00 93.03 8 A 1 ATOM 63 N N . THR A 1 9 ? -2.041 -0.908 2.022 1.00 97.95 9 A 1 ATOM 64 C CA . THR A 1 9 ? -2.032 -0.272 0.705 1.00 97.88 9 A 1 ATOM 65 C C . THR A 1 9 ? -0.871 0.713 0.587 1.00 98.21 9 A 1 ATOM 66 O O . THR A 1 9 ? -0.185 0.755 -0.435 1.00 97.95 9 A 1 ATOM 67 C CB . THR A 1 9 ? -3.353 0.462 0.462 1.00 97.51 9 A 1 ATOM 68 O OG1 . THR A 1 9 ? -4.437 -0.434 0.651 1.00 93.89 9 A 1 ATOM 69 C CG2 . THR A 1 9 ? -3.427 1.009 -0.955 1.00 91.44 9 A 1 ATOM 70 N N . LEU A 1 10 ? -0.643 1.483 1.635 1.00 98.02 10 A 1 ATOM 71 C CA . LEU A 1 10 ? 0.451 2.448 1.658 1.00 97.84 10 A 1 ATOM 72 C C . LEU A 1 10 ? 1.801 1.742 1.566 1.00 98.18 10 A 1 ATOM 73 O O . LEU A 1 10 ? 2.667 2.138 0.783 1.00 97.92 10 A 1 ATOM 74 C CB . LEU A 1 10 ? 0.373 3.282 2.941 1.00 97.57 10 A 1 ATOM 75 C CG . LEU A 1 10 ? -0.408 4.584 2.764 1.00 92.23 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? -0.915 5.093 4.104 1.00 90.27 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? 0.485 5.639 2.118 1.00 90.78 10 A 1 ATOM 78 N N . VAL A 1 11 ? 1.963 0.686 2.347 1.00 98.30 11 A 1 ATOM 79 C CA . VAL A 1 11 ? 3.206 -0.088 2.342 1.00 98.26 11 A 1 ATOM 80 C C . VAL A 1 11 ? 3.436 -0.722 0.973 1.00 98.37 11 A 1 ATOM 81 O O . VAL A 1 11 ? 4.558 -0.714 0.458 1.00 98.02 11 A 1 ATOM 82 C CB . VAL A 1 11 ? 3.164 -1.168 3.436 1.00 97.82 11 A 1 ATOM 83 C CG1 . VAL A 1 11 ? 4.386 -2.074 3.359 1.00 95.72 11 A 1 ATOM 84 C CG2 . VAL A 1 11 ? 3.103 -0.523 4.813 1.00 96.31 11 A 1 ATOM 85 N N . ALA A 1 12 ? 2.385 -1.254 0.381 1.00 98.24 12 A 1 ATOM 86 C CA . ALA A 1 12 ? 2.477 -1.878 -0.937 1.00 98.12 12 A 1 ATOM 87 C C . ALA A 1 12 ? 2.861 -0.858 -2.010 1.00 98.31 12 A 1 ATOM 88 O O . ALA A 1 12 ? 3.675 -1.149 -2.885 1.00 97.80 12 A 1 ATOM 89 C CB . ALA A 1 12 ? 1.142 -2.535 -1.276 1.00 97.69 12 A 1 ATOM 90 N N . SER A 1 13 ? 2.298 0.336 -1.930 1.00 98.40 13 A 1 ATOM 91 C CA . SER A 1 13 ? 2.583 1.406 -2.882 1.00 98.27 13 A 1 ATOM 92 C C . SER A 1 13 ? 4.047 1.827 -2.812 1.00 98.42 13 A 1 ATOM 93 O O . SER A 1 13 ? 4.713 1.970 -3.837 1.00 97.81 13 A 1 ATOM 94 C CB . SER A 1 13 ? 1.679 2.606 -2.603 1.00 97.55 13 A 1 ATOM 95 O OG . SER A 1 13 ? 1.886 3.603 -3.567 1.00 87.51 13 A 1 ATOM 96 N N . VAL A 1 14 ? 4.558 1.997 -1.599 1.00 98.37 14 A 1 ATOM 97 C CA . VAL A 1 14 ? 5.953 2.387 -1.392 1.00 98.27 14 A 1 ATOM 98 C C . VAL A 1 14 ? 6.892 1.273 -1.848 1.00 98.44 14 A 1 ATOM 99 O O . VAL A 1 14 ? 7.910 1.533 -2.491 1.00 97.98 14 A 1 ATOM 100 C CB . VAL A 1 14 ? 6.203 2.733 0.086 1.00 97.64 14 A 1 ATOM 101 C CG1 . VAL A 1 14 ? 7.671 3.056 0.329 1.00 94.78 14 A 1 ATOM 102 C CG2 . VAL A 1 14 ? 5.348 3.919 0.508 1.00 95.45 14 A 1 ATOM 103 N N . GLY A 1 15 ? 6.546 0.040 -1.527 1.00 98.43 15 A 1 ATOM 104 C CA . GLY A 1 15 ? 7.359 -1.106 -1.924 1.00 98.25 15 A 1 ATOM 105 C C . GLY A 1 15 ? 7.470 -1.237 -3.433 1.00 98.43 15 A 1 ATOM 106 O O . GLY A 1 15 ? 8.541 -1.532 -3.962 1.00 98.20 15 A 1 ATOM 107 N N . LEU A 1 16 ? 6.378 -0.996 -4.128 1.00 98.33 16 A 1 ATOM 108 C CA . LEU A 1 16 ? 6.359 -1.062 -5.590 1.00 98.24 16 A 1 ATOM 109 C C . LEU A 1 16 ? 7.198 0.052 -6.203 1.00 98.39 16 A 1 ATOM 110 O O . LEU A 1 16 ? 7.867 -0.150 -7.216 1.00 97.98 16 A 1 ATOM 111 C CB . LEU A 1 16 ? 4.909 -0.979 -6.078 1.00 97.80 16 A 1 ATOM 112 C CG . LEU A 1 16 ? 4.521 -2.156 -6.965 1.00 92.52 16 A 1 ATOM 113 C CD1 . LEU A 1 16 ? 3.035 -2.460 -6.833 1.00 89.76 16 A 1 ATOM 114 C CD2 . LEU A 1 16 ? 4.869 -1.880 -8.410 1.00 89.45 16 A 1 ATOM 115 N N . ALA A 1 17 ? 7.177 1.223 -5.584 1.00 98.35 17 A 1 ATOM 116 C CA . ALA A 1 17 ? 7.961 2.363 -6.060 1.00 98.23 17 A 1 ATOM 117 C C . ALA A 1 17 ? 9.461 2.093 -5.944 1.00 98.38 17 A 1 ATOM 118 O O . ALA A 1 17 ? 10.247 2.555 -6.771 1.00 97.77 17 A 1 ATOM 119 C CB . ALA A 1 17 ? 7.581 3.611 -5.268 1.00 97.69 17 A 1 ATOM 120 N N . VAL A 1 18 ? 9.859 1.353 -4.920 1.00 97.84 18 A 1 ATOM 121 C CA . VAL A 1 18 ? 11.266 1.010 -4.701 1.00 97.76 18 A 1 ATOM 122 C C . VAL A 1 18 ? 11.715 -0.085 -5.661 1.00 98.02 18 A 1 ATOM 123 O O . VAL A 1 18 ? 12.871 -0.099 -6.103 1.00 97.37 18 A 1 ATOM 124 C CB . VAL A 1 18 ? 11.492 0.567 -3.242 1.00 96.47 18 A 1 ATOM 125 C CG1 . VAL A 1 18 ? 12.937 0.134 -3.015 1.00 91.98 18 A 1 ATOM 126 C CG2 . VAL A 1 18 ? 11.154 1.698 -2.279 1.00 91.94 18 A 1 ATOM 127 N N . ALA A 1 19 ? 10.804 -0.994 -5.989 1.00 95.81 19 A 1 ATOM 128 C CA . ALA A 1 19 ? 11.101 -2.112 -6.888 1.00 94.26 19 A 1 ATOM 129 C C . ALA A 1 19 ? 11.266 -1.617 -8.321 1.00 92.59 19 A 1 ATOM 130 O O . ALA A 1 19 ? 12.215 -2.053 -8.994 1.00 88.47 19 A 1 ATOM 131 C CB . ALA A 1 19 ? 9.993 -3.157 -6.790 1.00 90.62 19 A 1 ATOM 132 O OXT . ALA A 1 19 ? 10.430 -0.810 -8.759 1.00 82.34 19 A 1 #