# 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_spkb38262 # _entry.id spkb38262 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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" "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 GLN 2 1 n PHE 3 1 n THR 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n ALA 8 1 n ALA 9 1 n THR 10 1 n ALA 11 1 n ALA 12 1 n ALA 13 1 n LEU 14 1 n VAL 15 1 n GLY 16 1 n SER 17 1 n VAL 18 1 n SER 19 1 n ALA 20 # _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 @ 2025-07-08 21:17:37)" _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 93.47 _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 87.31 1 1 A GLN 2 2 88.28 1 2 A PHE 3 2 91.05 1 3 A THR 4 2 94.96 1 4 A ALA 5 2 97.55 1 5 A LEU 6 2 95.20 1 6 A LEU 7 2 95.05 1 7 A ALA 8 2 97.25 1 8 A ALA 9 2 97.36 1 9 A THR 10 2 95.34 1 10 A ALA 11 2 97.34 1 11 A ALA 12 2 97.08 1 12 A ALA 13 2 97.59 1 13 A LEU 14 2 95.75 1 14 A VAL 15 2 96.41 1 15 A GLY 16 2 96.82 1 16 A SER 17 2 94.07 1 17 A VAL 18 2 92.04 1 18 A SER 19 2 88.70 1 19 A ALA 20 2 83.24 1 20 # _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 GLN . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -14.007 0.918 5.341 1.00 91.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.768 1.274 4.622 1.00 92.99 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.714 0.172 4.765 1.00 93.84 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.654 0.377 5.350 1.00 91.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.215 2.592 5.155 1.00 89.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.960 2.599 6.648 1.00 85.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.304 4.177 7.231 1.00 82.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.783 5.161 7.218 1.00 70.44 1 A 1 ATOM 9 N N . GLN A 1 2 ? -12.016 -1.003 4.220 1.00 93.83 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -11.090 -2.138 4.311 1.00 94.75 2 A 1 ATOM 11 C C . GLN A 1 2 ? -9.942 -1.994 3.312 1.00 95.55 2 A 1 ATOM 12 O O . GLN A 1 2 ? -8.769 -2.076 3.675 1.00 93.86 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -11.851 -3.438 4.046 1.00 92.47 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -12.965 -3.701 5.043 1.00 87.22 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -12.429 -4.061 6.417 1.00 84.97 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -11.569 -3.386 6.956 1.00 76.35 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -12.924 -5.133 6.995 1.00 75.52 2 A 1 ATOM 18 N N . PHE A 1 3 ? -10.284 -1.780 2.028 1.00 94.21 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -9.279 -1.625 0.976 1.00 94.99 3 A 1 ATOM 20 C C . PHE A 1 3 ? -8.444 -0.364 1.190 1.00 96.70 3 A 1 ATOM 21 O O . PHE A 1 3 ? -7.260 -0.317 0.845 1.00 96.48 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -9.966 -1.573 -0.390 1.00 93.93 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -8.985 -1.594 -1.528 1.00 90.64 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -8.345 -2.773 -1.880 1.00 88.16 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -8.703 -0.440 -2.236 1.00 87.68 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -7.434 -2.804 -2.923 1.00 87.19 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -7.786 -0.460 -3.283 1.00 86.19 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -7.152 -1.643 -3.627 1.00 85.38 3 A 1 ATOM 29 N N . THR A 1 4 ? -9.056 0.659 1.774 1.00 96.43 4 A 1 ATOM 30 C CA . THR A 1 4 ? -8.368 1.925 2.044 1.00 96.83 4 A 1 ATOM 31 C C . THR A 1 4 ? -7.177 1.713 2.976 1.00 97.41 4 A 1 ATOM 32 O O . THR A 1 4 ? -6.143 2.367 2.840 1.00 97.23 4 A 1 ATOM 33 C CB . THR A 1 4 ? -9.326 2.937 2.682 1.00 95.96 4 A 1 ATOM 34 O OG1 . THR A 1 4 ? -10.484 3.085 1.861 1.00 91.45 4 A 1 ATOM 35 C CG2 . THR A 1 4 ? -8.648 4.289 2.839 1.00 89.38 4 A 1 ATOM 36 N N . ALA A 1 5 ? -7.305 0.789 3.920 1.00 97.46 5 A 1 ATOM 37 C CA . ALA A 1 5 ? -6.231 0.490 4.865 1.00 97.62 5 A 1 ATOM 38 C C . ALA A 1 5 ? -4.992 -0.027 4.134 1.00 97.97 5 A 1 ATOM 39 O O . ALA A 1 5 ? -3.868 0.383 4.432 1.00 97.56 5 A 1 ATOM 40 C CB . ALA A 1 5 ? -6.708 -0.545 5.880 1.00 97.12 5 A 1 ATOM 41 N N . LEU A 1 6 ? -5.201 -0.921 3.166 1.00 97.12 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -4.102 -1.477 2.380 1.00 97.27 6 A 1 ATOM 43 C C . LEU A 1 6 ? -3.458 -0.400 1.517 1.00 97.77 6 A 1 ATOM 44 O O . LEU A 1 6 ? -2.238 -0.381 1.332 1.00 97.73 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -4.618 -2.612 1.489 1.00 96.92 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -5.083 -3.847 2.264 1.00 92.48 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -5.728 -4.849 1.318 1.00 91.49 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -3.915 -4.495 2.996 1.00 90.81 6 A 1 ATOM 49 N N . LEU A 1 7 ? -4.278 0.494 0.993 1.00 97.11 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -3.788 1.590 0.158 1.00 97.13 7 A 1 ATOM 51 C C . LEU A 1 7 ? -2.851 2.496 0.954 1.00 97.66 7 A 1 ATOM 52 O O . LEU A 1 7 ? -1.786 2.887 0.472 1.00 97.77 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -4.973 2.405 -0.372 1.00 96.54 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -4.570 3.510 -1.342 1.00 91.71 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -4.008 2.913 -2.621 1.00 91.46 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -5.765 4.396 -1.655 1.00 91.04 7 A 1 ATOM 57 N N . ALA A 1 8 ? -3.237 2.825 2.174 1.00 97.31 8 A 1 ATOM 58 C CA . ALA A 1 8 ? -2.432 3.681 3.040 1.00 97.26 8 A 1 ATOM 59 C C . ALA A 1 8 ? -1.111 3.007 3.404 1.00 97.65 8 A 1 ATOM 60 O O . ALA A 1 8 ? -0.055 3.644 3.405 1.00 97.30 8 A 1 ATOM 61 C CB . ALA A 1 8 ? -3.216 4.013 4.306 1.00 96.72 8 A 1 ATOM 62 N N . ALA A 1 9 ? -1.158 1.711 3.704 1.00 97.46 9 A 1 ATOM 63 C CA . ALA A 1 9 ? 0.036 0.950 4.056 1.00 97.44 9 A 1 ATOM 64 C C . ALA A 1 9 ? 1.005 0.875 2.879 1.00 97.84 9 A 1 ATOM 65 O O . ALA A 1 9 ? 2.219 0.996 3.055 1.00 97.15 9 A 1 ATOM 66 C CB . ALA A 1 9 ? -0.359 -0.456 4.496 1.00 96.92 9 A 1 ATOM 67 N N . THR A 1 10 ? 0.472 0.679 1.680 1.00 96.92 10 A 1 ATOM 68 C CA . THR A 1 10 ? 1.287 0.591 0.469 1.00 96.75 10 A 1 ATOM 69 C C . THR A 1 10 ? 2.007 1.911 0.206 1.00 97.33 10 A 1 ATOM 70 O O . THR A 1 10 ? 3.202 1.929 -0.102 1.00 97.12 10 A 1 ATOM 71 C CB . THR A 1 10 ? 0.421 0.243 -0.746 1.00 95.98 10 A 1 ATOM 72 O OG1 . THR A 1 10 ? -0.253 -0.989 -0.511 1.00 92.04 10 A 1 ATOM 73 C CG2 . THR A 1 10 ? 1.285 0.105 -1.994 1.00 91.22 10 A 1 ATOM 74 N N . ALA A 1 11 ? 1.291 3.020 0.324 1.00 97.60 11 A 1 ATOM 75 C CA . ALA A 1 11 ? 1.866 4.340 0.097 1.00 97.44 11 A 1 ATOM 76 C C . ALA A 1 11 ? 2.983 4.627 1.095 1.00 97.71 11 A 1 ATOM 77 O O . ALA A 1 11 ? 4.043 5.135 0.726 1.00 97.15 11 A 1 ATOM 78 C CB . ALA A 1 11 ? 0.778 5.406 0.208 1.00 96.79 11 A 1 ATOM 79 N N . ALA A 1 12 ? 2.762 4.296 2.357 1.00 97.61 12 A 1 ATOM 80 C CA . ALA A 1 12 ? 3.755 4.521 3.401 1.00 97.21 12 A 1 ATOM 81 C C . ALA A 1 12 ? 5.005 3.681 3.166 1.00 97.57 12 A 1 ATOM 82 O O . ALA A 1 12 ? 6.127 4.155 3.360 1.00 96.68 12 A 1 ATOM 83 C CB . ALA A 1 12 ? 3.155 4.188 4.763 1.00 96.31 12 A 1 ATOM 84 N N . ALA A 1 13 ? 4.825 2.431 2.739 1.00 97.84 13 A 1 ATOM 85 C CA . ALA A 1 13 ? 5.941 1.527 2.475 1.00 97.76 13 A 1 ATOM 86 C C . ALA A 1 13 ? 6.807 2.035 1.328 1.00 98.01 13 A 1 ATOM 87 O O . ALA A 1 13 ? 8.036 2.008 1.410 1.00 97.09 13 A 1 ATOM 88 C CB . ALA A 1 13 ? 5.414 0.133 2.154 1.00 97.25 13 A 1 ATOM 89 N N . LEU A 1 14 ? 6.176 2.500 0.257 1.00 97.82 14 A 1 ATOM 90 C CA . LEU A 1 14 ? 6.893 3.006 -0.911 1.00 97.58 14 A 1 ATOM 91 C C . LEU A 1 14 ? 7.703 4.246 -0.558 1.00 97.73 14 A 1 ATOM 92 O O . LEU A 1 14 ? 8.872 4.364 -0.930 1.00 97.26 14 A 1 ATOM 93 C CB . LEU A 1 14 ? 5.903 3.334 -2.029 1.00 97.03 14 A 1 ATOM 94 C CG . LEU A 1 14 ? 5.239 2.107 -2.650 1.00 93.96 14 A 1 ATOM 95 C CD1 . LEU A 1 14 ? 4.118 2.528 -3.581 1.00 92.49 14 A 1 ATOM 96 C CD2 . LEU A 1 14 ? 6.263 1.269 -3.402 1.00 92.16 14 A 1 ATOM 97 N N . VAL A 1 15 ? 7.093 5.172 0.157 1.00 97.80 15 A 1 ATOM 98 C CA . VAL A 1 15 ? 7.765 6.404 0.565 1.00 97.57 15 A 1 ATOM 99 C C . VAL A 1 15 ? 8.952 6.104 1.474 1.00 97.64 15 A 1 ATOM 100 O O . VAL A 1 15 ? 10.027 6.693 1.329 1.00 97.03 15 A 1 ATOM 101 C CB . VAL A 1 15 ? 6.782 7.344 1.278 1.00 96.64 15 A 1 ATOM 102 C CG1 . VAL A 1 15 ? 7.508 8.566 1.822 1.00 93.66 15 A 1 ATOM 103 C CG2 . VAL A 1 15 ? 5.681 7.774 0.325 1.00 94.55 15 A 1 ATOM 104 N N . GLY A 1 16 ? 8.765 5.192 2.407 1.00 97.21 16 A 1 ATOM 105 C CA . GLY A 1 16 ? 9.830 4.823 3.336 1.00 96.66 16 A 1 ATOM 106 C C . GLY A 1 16 ? 11.004 4.172 2.633 1.00 97.00 16 A 1 ATOM 107 O O . GLY A 1 16 ? 12.162 4.462 2.941 1.00 96.41 16 A 1 ATOM 108 N N . SER A 1 17 ? 10.729 3.293 1.671 1.00 96.32 17 A 1 ATOM 109 C CA . SER A 1 17 ? 11.774 2.596 0.921 1.00 96.19 17 A 1 ATOM 110 C C . SER A 1 17 ? 12.598 3.562 0.074 1.00 96.56 17 A 1 ATOM 111 O O . SER A 1 17 ? 13.820 3.448 -0.003 1.00 94.79 17 A 1 ATOM 112 C CB . SER A 1 17 ? 11.157 1.529 0.017 1.00 94.67 17 A 1 ATOM 113 O OG . SER A 1 17 ? 10.514 0.536 0.791 1.00 85.90 17 A 1 ATOM 114 N N . VAL A 1 18 ? 11.930 4.524 -0.568 1.00 94.34 18 A 1 ATOM 115 C CA . VAL A 1 18 ? 12.611 5.511 -1.410 1.00 94.24 18 A 1 ATOM 116 C C . VAL A 1 18 ? 13.493 6.437 -0.575 1.00 94.92 18 A 1 ATOM 117 O O . VAL A 1 18 ? 14.587 6.820 -0.998 1.00 93.37 18 A 1 ATOM 118 C CB . VAL A 1 18 ? 11.593 6.340 -2.205 1.00 92.41 18 A 1 ATOM 119 C CG1 . VAL A 1 18 ? 12.296 7.426 -3.004 1.00 87.33 18 A 1 ATOM 120 C CG2 . VAL A 1 18 ? 10.800 5.444 -3.135 1.00 87.70 18 A 1 ATOM 121 N N . SER A 1 19 ? 13.027 6.792 0.610 1.00 92.69 19 A 1 ATOM 122 C CA . SER A 1 19 ? 13.770 7.688 1.501 1.00 91.92 19 A 1 ATOM 123 C C . SER A 1 19 ? 15.064 7.043 1.996 1.00 91.17 19 A 1 ATOM 124 O O . SER A 1 19 ? 16.081 7.716 2.162 1.00 87.61 19 A 1 ATOM 125 C CB . SER A 1 19 ? 12.904 8.081 2.696 1.00 89.03 19 A 1 ATOM 126 O OG . SER A 1 19 ? 11.777 8.821 2.275 1.00 79.79 19 A 1 ATOM 127 N N . ALA A 1 20 ? 15.030 5.728 2.246 1.00 89.92 20 A 1 ATOM 128 C CA . ALA A 1 20 ? 16.190 5.002 2.749 1.00 87.33 20 A 1 ATOM 129 C C . ALA A 1 20 ? 16.981 4.361 1.612 1.00 84.92 20 A 1 ATOM 130 O O . ALA A 1 20 ? 16.371 3.810 0.691 1.00 80.41 20 A 1 ATOM 131 C CB . ALA A 1 20 ? 15.751 3.941 3.751 1.00 81.65 20 A 1 ATOM 132 O OXT . ALA A 1 20 ? 18.221 4.372 1.661 1.00 75.20 20 A 1 #