# 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_spkb11993 # _entry.id spkb11993 # 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 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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLY 2 1 n THR 3 1 n THR 4 1 n ALA 5 1 n ARG 6 1 n ALA 7 1 n ALA 8 1 n LEU 9 1 n VAL 10 1 n LEU 11 1 n THR 12 1 n TYR 13 1 n LEU 14 1 n ALA 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 @ 2025-07-06 15:29:07)" _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 95.51 _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 82.76 1 1 A GLY 2 2 95.15 1 2 A THR 3 2 95.10 1 3 A THR 4 2 95.68 1 4 A ALA 5 2 97.95 1 5 A ARG 6 2 92.33 1 6 A ALA 7 2 98.20 1 7 A ALA 8 2 98.48 1 8 A LEU 9 2 96.84 1 9 A VAL 10 2 98.02 1 10 A LEU 11 2 97.18 1 11 A THR 12 2 97.79 1 12 A TYR 13 2 95.68 1 13 A LEU 14 2 97.27 1 14 A ALA 15 2 98.50 1 15 A VAL 16 2 97.72 1 16 A ALA 17 2 98.26 1 17 A SER 18 2 95.62 1 18 A ALA 19 2 92.29 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 GLY . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 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 ? -3.588 5.895 16.989 1.00 89.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.801 6.125 15.544 1.00 89.86 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.759 7.098 15.008 1.00 90.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.428 8.072 15.670 1.00 86.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.194 6.707 15.303 1.00 84.79 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.297 5.805 15.814 1.00 79.67 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.928 6.523 15.561 1.00 76.00 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.919 5.364 16.494 1.00 65.62 1 A 1 ATOM 9 N N . GLY A 1 2 ? -2.264 6.835 13.822 1.00 92.95 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -1.280 7.715 13.220 1.00 95.25 2 A 1 ATOM 11 C C . GLY A 1 2 ? -1.330 7.683 11.705 1.00 96.62 2 A 1 ATOM 12 O O . GLY A 1 2 ? -1.538 6.629 11.108 1.00 95.79 2 A 1 ATOM 13 N N . THR A 1 3 ? -1.137 8.838 11.086 1.00 96.13 3 A 1 ATOM 14 C CA . THR A 1 3 ? -1.141 8.961 9.629 1.00 97.21 3 A 1 ATOM 15 C C . THR A 1 3 ? 0.045 8.222 9.018 1.00 97.88 3 A 1 ATOM 16 O O . THR A 1 3 ? -0.022 7.738 7.889 1.00 97.22 3 A 1 ATOM 17 C CB . THR A 1 3 ? -1.085 10.430 9.211 1.00 95.77 3 A 1 ATOM 18 O OG1 . THR A 1 3 ? -2.068 11.171 9.930 1.00 91.30 3 A 1 ATOM 19 C CG2 . THR A 1 3 ? -1.332 10.584 7.724 1.00 90.18 3 A 1 ATOM 20 N N . THR A 1 4 ? 1.125 8.124 9.773 1.00 97.48 4 A 1 ATOM 21 C CA . THR A 1 4 ? 2.340 7.452 9.314 1.00 97.66 4 A 1 ATOM 22 C C . THR A 1 4 ? 2.077 5.980 9.012 1.00 97.89 4 A 1 ATOM 23 O O . THR A 1 4 ? 2.586 5.437 8.032 1.00 97.47 4 A 1 ATOM 24 C CB . THR A 1 4 ? 3.447 7.557 10.364 1.00 96.71 4 A 1 ATOM 25 O OG1 . THR A 1 4 ? 3.582 8.915 10.786 1.00 91.96 4 A 1 ATOM 26 C CG2 . THR A 1 4 ? 4.765 7.072 9.804 1.00 90.59 4 A 1 ATOM 27 N N . ALA A 1 5 ? 1.272 5.331 9.846 1.00 97.94 5 A 1 ATOM 28 C CA . ALA A 1 5 ? 0.937 3.925 9.653 1.00 98.06 5 A 1 ATOM 29 C C . ALA A 1 5 ? 0.180 3.725 8.344 1.00 98.34 5 A 1 ATOM 30 O O . ALA A 1 5 ? 0.468 2.804 7.579 1.00 97.99 5 A 1 ATOM 31 C CB . ALA A 1 5 ? 0.106 3.418 10.826 1.00 97.43 5 A 1 ATOM 32 N N . ARG A 1 6 ? -0.787 4.599 8.089 1.00 97.99 6 A 1 ATOM 33 C CA . ARG A 1 6 ? -1.565 4.550 6.853 1.00 98.28 6 A 1 ATOM 34 C C . ARG A 1 6 ? -0.681 4.849 5.656 1.00 98.49 6 A 1 ATOM 35 O O . ARG A 1 6 ? -0.792 4.202 4.617 1.00 98.28 6 A 1 ATOM 36 C CB . ARG A 1 6 ? -2.713 5.560 6.921 1.00 97.78 6 A 1 ATOM 37 C CG . ARG A 1 6 ? -3.927 5.001 7.647 1.00 94.42 6 A 1 ATOM 38 C CD . ARG A 1 6 ? -4.937 4.469 6.647 1.00 92.07 6 A 1 ATOM 39 N NE . ARG A 1 6 ? -6.109 3.887 7.300 1.00 89.07 6 A 1 ATOM 40 C CZ . ARG A 1 6 ? -7.341 3.903 6.796 1.00 86.83 6 A 1 ATOM 41 N NH1 . ARG A 1 6 ? -7.597 4.487 5.642 1.00 81.59 6 A 1 ATOM 42 N NH2 . ARG A 1 6 ? -8.330 3.331 7.461 1.00 80.82 6 A 1 ATOM 43 N N . ALA A 1 7 ? 0.200 5.816 5.797 1.00 98.14 7 A 1 ATOM 44 C CA . ALA A 1 7 ? 1.111 6.198 4.726 1.00 98.27 7 A 1 ATOM 45 C C . ALA A 1 7 ? 1.997 5.025 4.318 1.00 98.52 7 A 1 ATOM 46 O O . ALA A 1 7 ? 2.259 4.822 3.131 1.00 98.27 7 A 1 ATOM 47 C CB . ALA A 1 7 ? 1.972 7.371 5.170 1.00 97.81 7 A 1 ATOM 48 N N . ALA A 1 8 ? 2.438 4.244 5.291 1.00 98.49 8 A 1 ATOM 49 C CA . ALA A 1 8 ? 3.272 3.080 5.029 1.00 98.52 8 A 1 ATOM 50 C C . ALA A 1 8 ? 2.517 2.041 4.206 1.00 98.68 8 A 1 ATOM 51 O O . ALA A 1 8 ? 3.065 1.466 3.264 1.00 98.46 8 A 1 ATOM 52 C CB . ALA A 1 8 ? 3.737 2.468 6.343 1.00 98.25 8 A 1 ATOM 53 N N . LEU A 1 9 ? 1.253 1.816 4.554 1.00 98.26 9 A 1 ATOM 54 C CA . LEU A 1 9 ? 0.415 0.863 3.834 1.00 98.30 9 A 1 ATOM 55 C C . LEU A 1 9 ? 0.176 1.320 2.401 1.00 98.46 9 A 1 ATOM 56 O O . LEU A 1 9 ? 0.233 0.518 1.467 1.00 98.27 9 A 1 ATOM 57 C CB . LEU A 1 9 ? -0.925 0.695 4.555 1.00 98.02 9 A 1 ATOM 58 C CG . LEU A 1 9 ? -0.836 -0.062 5.874 1.00 94.95 9 A 1 ATOM 59 C CD1 . LEU A 1 9 ? -2.138 0.062 6.650 1.00 94.18 9 A 1 ATOM 60 C CD2 . LEU A 1 9 ? -0.527 -1.533 5.620 1.00 94.28 9 A 1 ATOM 61 N N . VAL A 1 10 ? -0.088 2.601 2.230 1.00 98.42 10 A 1 ATOM 62 C CA . VAL A 1 10 ? -0.326 3.171 0.903 1.00 98.45 10 A 1 ATOM 63 C C . VAL A 1 10 ? 0.922 3.045 0.035 1.00 98.59 10 A 1 ATOM 64 O O . VAL A 1 10 ? 0.841 2.669 -1.137 1.00 98.48 10 A 1 ATOM 65 C CB . VAL A 1 10 ? -0.748 4.646 1.005 1.00 98.20 10 A 1 ATOM 66 C CG1 . VAL A 1 10 ? -0.848 5.284 -0.379 1.00 97.10 10 A 1 ATOM 67 C CG2 . VAL A 1 10 ? -2.084 4.757 1.723 1.00 96.91 10 A 1 ATOM 68 N N . LEU A 1 11 ? 2.067 3.340 0.612 1.00 98.43 11 A 1 ATOM 69 C CA . LEU A 1 11 ? 3.333 3.259 -0.111 1.00 98.42 11 A 1 ATOM 70 C C . LEU A 1 11 ? 3.602 1.834 -0.574 1.00 98.56 11 A 1 ATOM 71 O O . LEU A 1 11 ? 4.025 1.608 -1.710 1.00 98.40 11 A 1 ATOM 72 C CB . LEU A 1 11 ? 4.478 3.744 0.780 1.00 98.15 11 A 1 ATOM 73 C CG . LEU A 1 11 ? 5.831 3.817 0.075 1.00 95.76 11 A 1 ATOM 74 C CD1 . LEU A 1 11 ? 5.808 4.875 -1.026 1.00 94.98 11 A 1 ATOM 75 C CD2 . LEU A 1 11 ? 6.930 4.133 1.077 1.00 94.73 11 A 1 ATOM 76 N N . THR A 1 12 ? 3.353 0.873 0.307 1.00 98.55 12 A 1 ATOM 77 C CA . THR A 1 12 ? 3.548 -0.535 -0.015 1.00 98.52 12 A 1 ATOM 78 C C . THR A 1 12 ? 2.594 -0.966 -1.124 1.00 98.64 12 A 1 ATOM 79 O O . THR A 1 12 ? 2.989 -1.677 -2.052 1.00 98.39 12 A 1 ATOM 80 C CB . THR A 1 12 ? 3.321 -1.410 1.225 1.00 98.18 12 A 1 ATOM 81 O OG1 . THR A 1 12 ? 4.193 -0.996 2.275 1.00 96.49 12 A 1 ATOM 82 C CG2 . THR A 1 12 ? 3.591 -2.878 0.916 1.00 95.77 12 A 1 ATOM 83 N N . TYR A 1 13 ? 1.345 -0.531 -1.029 1.00 98.24 13 A 1 ATOM 84 C CA . TYR A 1 13 ? 0.336 -0.859 -2.033 1.00 98.25 13 A 1 ATOM 85 C C . TYR A 1 13 ? 0.748 -0.337 -3.407 1.00 98.39 13 A 1 ATOM 86 O O . TYR A 1 13 ? 0.640 -1.046 -4.413 1.00 98.17 13 A 1 ATOM 87 C CB . TYR A 1 13 ? -1.016 -0.266 -1.631 1.00 98.08 13 A 1 ATOM 88 C CG . TYR A 1 13 ? -2.127 -0.616 -2.599 1.00 96.44 13 A 1 ATOM 89 C CD1 . TYR A 1 13 ? -2.726 -1.873 -2.567 1.00 94.98 13 A 1 ATOM 90 C CD2 . TYR A 1 13 ? -2.570 0.306 -3.538 1.00 94.63 13 A 1 ATOM 91 C CE1 . TYR A 1 13 ? -3.744 -2.199 -3.455 1.00 92.88 13 A 1 ATOM 92 C CE2 . TYR A 1 13 ? -3.586 -0.016 -4.434 1.00 92.76 13 A 1 ATOM 93 C CZ . TYR A 1 13 ? -4.169 -1.269 -4.386 1.00 93.08 13 A 1 ATOM 94 O OH . TYR A 1 13 ? -5.175 -1.592 -5.271 1.00 92.28 13 A 1 ATOM 95 N N . LEU A 1 14 ? 1.228 0.894 -3.446 1.00 98.55 14 A 1 ATOM 96 C CA . LEU A 1 14 ? 1.664 1.506 -4.699 1.00 98.43 14 A 1 ATOM 97 C C . LEU A 1 14 ? 2.862 0.766 -5.281 1.00 98.52 14 A 1 ATOM 98 O O . LEU A 1 14 ? 2.951 0.573 -6.496 1.00 98.18 14 A 1 ATOM 99 C CB . LEU A 1 14 ? 2.024 2.976 -4.468 1.00 98.14 14 A 1 ATOM 100 C CG . LEU A 1 14 ? 0.823 3.879 -4.190 1.00 96.43 14 A 1 ATOM 101 C CD1 . LEU A 1 14 ? 1.289 5.253 -3.732 1.00 95.11 14 A 1 ATOM 102 C CD2 . LEU A 1 14 ? -0.049 4.011 -5.434 1.00 94.79 14 A 1 ATOM 103 N N . ALA A 1 15 ? 3.775 0.350 -4.420 1.00 98.64 15 A 1 ATOM 104 C CA . ALA A 1 15 ? 4.957 -0.387 -4.851 1.00 98.57 15 A 1 ATOM 105 C C . ALA A 1 15 ? 4.568 -1.720 -5.477 1.00 98.65 15 A 1 ATOM 106 O O . ALA A 1 15 ? 5.099 -2.101 -6.524 1.00 98.35 15 A 1 ATOM 107 C CB . ALA A 1 15 ? 5.889 -0.610 -3.665 1.00 98.30 15 A 1 ATOM 108 N N . VAL A 1 16 ? 3.633 -2.428 -4.855 1.00 98.55 16 A 1 ATOM 109 C CA . VAL A 1 16 ? 3.157 -3.715 -5.363 1.00 98.42 16 A 1 ATOM 110 C C . VAL A 1 16 ? 2.421 -3.536 -6.682 1.00 98.45 16 A 1 ATOM 111 O O . VAL A 1 16 ? 2.608 -4.318 -7.619 1.00 98.06 16 A 1 ATOM 112 C CB . VAL A 1 16 ? 2.239 -4.407 -4.341 1.00 97.93 16 A 1 ATOM 113 C CG1 . VAL A 1 16 ? 1.640 -5.681 -4.924 1.00 96.08 16 A 1 ATOM 114 C CG2 . VAL A 1 16 ? 3.011 -4.732 -3.074 1.00 96.56 16 A 1 ATOM 115 N N . ALA A 1 17 ? 1.590 -2.513 -6.762 1.00 98.56 17 A 1 ATOM 116 C CA . ALA A 1 17 ? 0.824 -2.230 -7.972 1.00 98.39 17 A 1 ATOM 117 C C . ALA A 1 17 ? 1.742 -1.861 -9.136 1.00 98.48 17 A 1 ATOM 118 O O . ALA A 1 17 ? 1.469 -2.207 -10.287 1.00 98.01 17 A 1 ATOM 119 C CB . ALA A 1 17 ? -0.167 -1.101 -7.709 1.00 97.88 17 A 1 ATOM 120 N N . SER A 1 18 ? 2.824 -1.168 -8.840 1.00 98.03 18 A 1 ATOM 121 C CA . SER A 1 18 ? 3.786 -0.750 -9.855 1.00 97.73 18 A 1 ATOM 122 C C . SER A 1 18 ? 4.626 -1.922 -10.345 1.00 97.69 18 A 1 ATOM 123 O O . SER A 1 18 ? 4.958 -2.009 -11.532 1.00 96.06 18 A 1 ATOM 124 C CB . SER A 1 18 ? 4.704 0.338 -9.298 1.00 96.44 18 A 1 ATOM 125 O OG . SER A 1 18 ? 5.598 0.784 -10.289 1.00 87.77 18 A 1 ATOM 126 N N . ALA A 1 19 ? 4.968 -2.819 -9.434 1.00 96.69 19 A 1 ATOM 127 C CA . ALA A 1 19 ? 5.787 -3.983 -9.754 1.00 95.49 19 A 1 ATOM 128 C C . ALA A 1 19 ? 4.940 -5.073 -10.394 1.00 94.39 19 A 1 ATOM 129 O O . ALA A 1 19 ? 5.440 -5.765 -11.307 1.00 90.23 19 A 1 ATOM 130 C CB . ALA A 1 19 ? 6.471 -4.507 -8.494 1.00 92.34 19 A 1 ATOM 131 O OXT . ALA A 1 19 ? 3.787 -5.240 -9.979 1.00 84.60 19 A 1 #