# 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_spkb24480 # _entry.id spkb24480 # 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" "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 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" "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 LEU 3 1 n SER 4 1 n SER 5 1 n SER 6 1 n LEU 7 1 n ILE 8 1 n ALA 9 1 n LEU 10 1 n VAL 11 1 n ALA 12 1 n LEU 13 1 n ALA 14 1 n GLY 15 1 n GLN 16 1 n ALA 17 1 n LEU 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 @ 2025-07-08 02:20:47)" _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 94.94 _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 87.39 1 1 A ARG 2 2 85.47 1 2 A LEU 3 2 92.35 1 3 A SER 4 2 95.88 1 4 A SER 5 2 97.01 1 5 A SER 6 2 96.94 1 6 A LEU 7 2 96.83 1 7 A ILE 8 2 96.75 1 8 A ALA 9 2 98.49 1 9 A LEU 10 2 96.89 1 10 A VAL 11 2 97.86 1 11 A ALA 12 2 98.36 1 12 A LEU 13 2 96.46 1 13 A ALA 14 2 98.29 1 14 A GLY 15 2 98.47 1 15 A GLN 16 2 95.12 1 16 A ALA 17 2 98.29 1 17 A LEU 18 2 95.34 1 18 A ALA 19 2 93.22 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 LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 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 LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 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 ? -9.031 2.193 -6.024 1.00 91.23 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.016 1.751 -4.615 1.00 92.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.670 2.934 -3.718 1.00 93.95 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.567 3.461 -3.782 1.00 91.27 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.973 0.654 -4.424 1.00 88.18 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.300 -0.560 -5.281 1.00 86.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.009 -1.809 -5.171 1.00 83.92 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.545 -2.922 -6.463 1.00 71.94 1 A 1 ATOM 9 N N . ARG A 1 2 ? -9.619 3.352 -2.914 1.00 90.91 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -9.404 4.498 -2.014 1.00 95.02 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.651 4.079 -0.568 1.00 96.73 2 A 1 ATOM 12 O O . ARG A 1 2 ? -10.598 4.544 0.066 1.00 95.51 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -10.347 5.635 -2.406 1.00 92.22 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -10.052 6.180 -3.791 1.00 85.78 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -8.668 6.821 -3.816 1.00 85.80 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -8.449 7.533 -5.073 1.00 78.75 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -8.915 8.744 -5.296 1.00 77.41 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -9.613 9.384 -4.378 1.00 70.02 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -8.688 9.328 -6.462 1.00 71.98 2 A 1 ATOM 20 N N . LEU A 1 3 ? -8.807 3.207 -0.064 1.00 94.92 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -8.926 2.760 1.324 1.00 95.10 3 A 1 ATOM 22 C C . LEU A 1 3 ? -8.084 3.655 2.229 1.00 96.26 3 A 1 ATOM 23 O O . LEU A 1 3 ? -7.535 4.654 1.786 1.00 94.70 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -8.460 1.307 1.421 1.00 93.98 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -9.275 0.362 0.546 1.00 90.81 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -8.588 -1.001 0.481 1.00 87.64 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -10.683 0.210 1.108 1.00 85.38 3 A 1 ATOM 28 N N . SER A 1 4 ? -7.986 3.285 3.482 1.00 97.63 4 A 1 ATOM 29 C CA . SER A 1 4 ? -7.194 4.069 4.431 1.00 97.79 4 A 1 ATOM 30 C C . SER A 1 4 ? -5.726 4.094 4.006 1.00 98.08 4 A 1 ATOM 31 O O . SER A 1 4 ? -5.256 3.192 3.317 1.00 97.63 4 A 1 ATOM 32 C CB . SER A 1 4 ? -7.317 3.463 5.825 1.00 96.84 4 A 1 ATOM 33 O OG . SER A 1 4 ? -6.654 4.284 6.765 1.00 87.31 4 A 1 ATOM 34 N N . SER A 1 5 ? -5.000 5.125 4.419 1.00 98.06 5 A 1 ATOM 35 C CA . SER A 1 5 ? -3.581 5.245 4.063 1.00 98.24 5 A 1 ATOM 36 C C . SER A 1 5 ? -2.791 4.037 4.562 1.00 98.46 5 A 1 ATOM 37 O O . SER A 1 5 ? -1.843 3.596 3.916 1.00 98.15 5 A 1 ATOM 38 C CB . SER A 1 5 ? -3.008 6.516 4.682 1.00 97.52 5 A 1 ATOM 39 O OG . SER A 1 5 ? -3.170 6.488 6.081 1.00 91.61 5 A 1 ATOM 40 N N . SER A 1 6 ? -3.185 3.502 5.696 1.00 98.10 6 A 1 ATOM 41 C CA . SER A 1 6 ? -2.499 2.337 6.268 1.00 98.28 6 A 1 ATOM 42 C C . SER A 1 6 ? -2.650 1.118 5.362 1.00 98.55 6 A 1 ATOM 43 O O . SER A 1 6 ? -1.702 0.369 5.146 1.00 98.30 6 A 1 ATOM 44 C CB . SER A 1 6 ? -3.076 2.027 7.646 1.00 97.79 6 A 1 ATOM 45 O OG . SER A 1 6 ? -2.830 3.108 8.526 1.00 90.61 6 A 1 ATOM 46 N N . LEU A 1 7 ? -3.847 0.927 4.827 1.00 98.18 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -4.103 -0.217 3.946 1.00 98.36 7 A 1 ATOM 48 C C . LEU A 1 7 ? -3.296 -0.083 2.659 1.00 98.57 7 A 1 ATOM 49 O O . LEU A 1 7 ? -2.743 -1.056 2.155 1.00 98.49 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -5.598 -0.292 3.624 1.00 98.23 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -6.453 -0.603 4.855 1.00 95.55 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -7.927 -0.531 4.498 1.00 93.46 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -6.118 -2.004 5.380 1.00 93.80 7 A 1 ATOM 54 N N . ILE A 1 8 ? -3.230 1.114 2.129 1.00 98.32 8 A 1 ATOM 55 C CA . ILE A 1 8 ? -2.467 1.361 0.902 1.00 98.27 8 A 1 ATOM 56 C C . ILE A 1 8 ? -0.987 1.070 1.142 1.00 98.42 8 A 1 ATOM 57 O O . ILE A 1 8 ? -0.301 0.518 0.281 1.00 98.34 8 A 1 ATOM 58 C CB . ILE A 1 8 ? -2.655 2.812 0.453 1.00 98.04 8 A 1 ATOM 59 C CG1 . ILE A 1 8 ? -4.123 3.061 0.092 1.00 96.34 8 A 1 ATOM 60 C CG2 . ILE A 1 8 ? -1.769 3.095 -0.766 1.00 95.90 8 A 1 ATOM 61 C CD1 . ILE A 1 8 ? -4.406 4.538 -0.126 1.00 90.34 8 A 1 ATOM 62 N N . ALA A 1 9 ? -0.498 1.440 2.307 1.00 98.47 9 A 1 ATOM 63 C CA . ALA A 1 9 ? 0.907 1.205 2.647 1.00 98.51 9 A 1 ATOM 64 C C . ALA A 1 9 ? 1.211 -0.293 2.660 1.00 98.67 9 A 1 ATOM 65 O O . ALA A 1 9 ? 2.284 -0.720 2.237 1.00 98.52 9 A 1 ATOM 66 C CB . ALA A 1 9 ? 1.207 1.811 4.013 1.00 98.28 9 A 1 ATOM 67 N N . LEU A 1 10 ? 0.262 -1.073 3.143 1.00 98.34 10 A 1 ATOM 68 C CA . LEU A 1 10 ? 0.433 -2.528 3.200 1.00 98.38 10 A 1 ATOM 69 C C . LEU A 1 10 ? 0.610 -3.093 1.797 1.00 98.58 10 A 1 ATOM 70 O O . LEU A 1 10 ? 1.502 -3.904 1.546 1.00 98.47 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -0.795 -3.154 3.871 1.00 98.15 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -0.534 -3.521 5.331 1.00 95.28 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -1.856 -3.653 6.080 1.00 93.78 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? 0.236 -4.830 5.406 1.00 94.18 10 A 1 ATOM 75 N N . VAL A 1 11 ? -0.232 -2.663 0.889 1.00 98.36 11 A 1 ATOM 76 C CA . VAL A 1 11 ? -0.156 -3.129 -0.497 1.00 98.36 11 A 1 ATOM 77 C C . VAL A 1 11 ? 1.148 -2.664 -1.138 1.00 98.54 11 A 1 ATOM 78 O O . VAL A 1 11 ? 1.777 -3.401 -1.898 1.00 98.45 11 A 1 ATOM 79 C CB . VAL A 1 11 ? -1.351 -2.603 -1.298 1.00 98.01 11 A 1 ATOM 80 C CG1 . VAL A 1 11 ? -1.277 -3.077 -2.741 1.00 96.59 11 A 1 ATOM 81 C CG2 . VAL A 1 11 ? -2.654 -3.075 -0.660 1.00 96.73 11 A 1 ATOM 82 N N . ALA A 1 12 ? 1.542 -1.451 -0.834 1.00 98.36 12 A 1 ATOM 83 C CA . ALA A 1 12 ? 2.778 -0.899 -1.394 1.00 98.37 12 A 1 ATOM 84 C C . ALA A 1 12 ? 3.985 -1.727 -0.958 1.00 98.55 12 A 1 ATOM 85 O O . ALA A 1 12 ? 4.879 -2.002 -1.757 1.00 98.41 12 A 1 ATOM 86 C CB . ALA A 1 12 ? 2.942 0.544 -0.936 1.00 98.09 12 A 1 ATOM 87 N N . LEU A 1 13 ? 4.003 -2.119 0.301 1.00 98.33 13 A 1 ATOM 88 C CA . LEU A 1 13 ? 5.109 -2.918 0.828 1.00 98.27 13 A 1 ATOM 89 C C . LEU A 1 13 ? 5.171 -4.265 0.125 1.00 98.50 13 A 1 ATOM 90 O O . LEU A 1 13 ? 6.245 -4.733 -0.252 1.00 98.25 13 A 1 ATOM 91 C CB . LEU A 1 13 ? 4.913 -3.123 2.331 1.00 97.92 13 A 1 ATOM 92 C CG . LEU A 1 13 ? 5.286 -1.882 3.142 1.00 94.48 13 A 1 ATOM 93 C CD1 . LEU A 1 13 ? 4.729 -1.988 4.556 1.00 92.81 13 A 1 ATOM 94 C CD2 . LEU A 1 13 ? 6.802 -1.731 3.197 1.00 93.12 13 A 1 ATOM 95 N N . ALA A 1 14 ? 4.022 -4.886 -0.046 1.00 98.41 14 A 1 ATOM 96 C CA . ALA A 1 14 ? 3.963 -6.187 -0.709 1.00 98.35 14 A 1 ATOM 97 C C . ALA A 1 14 ? 4.440 -6.071 -2.154 1.00 98.48 14 A 1 ATOM 98 O O . ALA A 1 14 ? 5.155 -6.939 -2.653 1.00 98.20 14 A 1 ATOM 99 C CB . ALA A 1 14 ? 2.535 -6.716 -0.658 1.00 98.01 14 A 1 ATOM 100 N N . GLY A 1 15 ? 4.046 -5.006 -2.814 1.00 98.57 15 A 1 ATOM 101 C CA . GLY A 1 15 ? 4.456 -4.796 -4.204 1.00 98.43 15 A 1 ATOM 102 C C . GLY A 1 15 ? 5.952 -4.593 -4.327 1.00 98.56 15 A 1 ATOM 103 O O . GLY A 1 15 ? 6.589 -5.099 -5.250 1.00 98.30 15 A 1 ATOM 104 N N . GLN A 1 16 ? 6.532 -3.865 -3.395 1.00 98.69 16 A 1 ATOM 105 C CA . GLN A 1 16 ? 7.977 -3.618 -3.411 1.00 98.59 16 A 1 ATOM 106 C C . GLN A 1 16 ? 8.749 -4.907 -3.167 1.00 98.69 16 A 1 ATOM 107 O O . GLN A 1 16 ? 9.822 -5.105 -3.731 1.00 98.13 16 A 1 ATOM 108 C CB . GLN A 1 16 ? 8.337 -2.602 -2.331 1.00 98.11 16 A 1 ATOM 109 C CG . GLN A 1 16 ? 8.079 -1.179 -2.809 1.00 95.45 16 A 1 ATOM 110 C CD . GLN A 1 16 ? 8.667 -0.160 -1.853 1.00 92.94 16 A 1 ATOM 111 O OE1 . GLN A 1 16 ? 8.926 -0.465 -0.694 1.00 88.55 16 A 1 ATOM 112 N NE2 . GLN A 1 16 ? 8.910 1.050 -2.316 1.00 86.96 16 A 1 ATOM 113 N N . ALA A 1 17 ? 8.216 -5.773 -2.337 1.00 98.52 17 A 1 ATOM 114 C CA . ALA A 1 17 ? 8.884 -7.037 -2.025 1.00 98.42 17 A 1 ATOM 115 C C . ALA A 1 17 ? 9.108 -7.862 -3.288 1.00 98.53 17 A 1 ATOM 116 O O . ALA A 1 17 ? 10.176 -8.443 -3.474 1.00 97.95 17 A 1 ATOM 117 C CB . ALA A 1 17 ? 8.044 -7.824 -1.024 1.00 98.02 17 A 1 ATOM 118 N N . LEU A 1 18 ? 8.105 -7.935 -4.145 1.00 98.18 18 A 1 ATOM 119 C CA . LEU A 1 18 ? 8.223 -8.703 -5.388 1.00 97.82 18 A 1 ATOM 120 C C . LEU A 1 18 ? 8.899 -7.891 -6.484 1.00 97.89 18 A 1 ATOM 121 O O . LEU A 1 18 ? 9.400 -8.452 -7.462 1.00 96.73 18 A 1 ATOM 122 C CB . LEU A 1 18 ? 6.826 -9.145 -5.834 1.00 97.04 18 A 1 ATOM 123 C CG . LEU A 1 18 ? 5.857 -7.973 -5.991 1.00 94.58 18 A 1 ATOM 124 C CD1 . LEU A 1 18 ? 5.721 -7.580 -7.455 1.00 91.38 18 A 1 ATOM 125 C CD2 . LEU A 1 18 ? 4.503 -8.340 -5.417 1.00 89.09 18 A 1 ATOM 126 N N . ALA A 1 19 ? 8.924 -6.580 -6.327 1.00 96.87 19 A 1 ATOM 127 C CA . ALA A 1 19 ? 9.536 -5.720 -7.335 1.00 95.90 19 A 1 ATOM 128 C C . ALA A 1 19 ? 11.048 -5.645 -7.139 1.00 94.99 19 A 1 ATOM 129 O O . ALA A 1 19 ? 11.502 -5.729 -5.990 1.00 91.74 19 A 1 ATOM 130 C CB . ALA A 1 19 ? 8.915 -4.323 -7.281 1.00 93.62 19 A 1 ATOM 131 O OXT . ALA A 1 19 ? 11.771 -5.490 -8.124 1.00 86.19 19 A 1 #