# 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_spkb39399 # _entry.id spkb39399 # 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" "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 THR 2 1 n THR 3 1 n LYS 4 1 n PHE 5 1 n PHE 6 1 n ILE 7 1 n GLY 8 1 n THR 9 1 n ALA 10 1 n ILE 11 1 n ALA 12 1 n VAL 13 1 n SER 14 1 n VAL 15 1 n LEU 16 1 n SER 17 1 n ALA 18 # _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 @ 2025-07-02 21:31:55)" _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 93.83 _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 82.89 1 1 A THR 2 2 90.91 1 2 A THR 3 2 94.00 1 3 A LYS 4 2 92.03 1 4 A PHE 5 2 92.27 1 5 A PHE 6 2 93.52 1 6 A ILE 7 2 95.08 1 7 A GLY 8 2 97.14 1 8 A THR 9 2 95.40 1 9 A ALA 10 2 97.20 1 10 A ILE 11 2 96.06 1 11 A ALA 12 2 97.46 1 12 A VAL 13 2 96.29 1 13 A SER 14 2 96.13 1 14 A VAL 15 2 96.71 1 15 A LEU 16 2 94.57 1 16 A SER 17 2 95.80 1 17 A ALA 18 2 91.71 1 18 # _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 THR . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -12.562 -6.349 4.243 1.00 88.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.465 -5.106 5.028 1.00 90.00 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.675 -4.038 4.273 1.00 90.19 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.148 -3.494 3.284 1.00 87.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.796 -5.385 6.377 1.00 83.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.689 -6.195 7.308 1.00 79.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.060 -5.224 7.909 1.00 76.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.852 -6.427 8.975 1.00 67.19 1 A 1 ATOM 9 N N . THR A 1 2 ? -10.464 -3.736 4.734 1.00 92.52 2 A 1 ATOM 10 C CA . THR A 1 2 ? -9.630 -2.702 4.118 1.00 94.15 2 A 1 ATOM 11 C C . THR A 1 2 ? -8.401 -3.305 3.440 1.00 95.18 2 A 1 ATOM 12 O O . THR A 1 2 ? -7.329 -2.706 3.399 1.00 93.27 2 A 1 ATOM 13 C CB . THR A 1 2 ? -9.182 -1.688 5.168 1.00 91.95 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -10.265 -1.356 6.028 1.00 85.03 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -8.679 -0.414 4.499 1.00 84.26 2 A 1 ATOM 16 N N . THR A 1 3 ? -8.558 -4.498 2.919 1.00 95.70 3 A 1 ATOM 17 C CA . THR A 1 3 ? -7.450 -5.198 2.262 1.00 96.16 3 A 1 ATOM 18 C C . THR A 1 3 ? -6.997 -4.447 1.014 1.00 96.55 3 A 1 ATOM 19 O O . THR A 1 3 ? -5.801 -4.318 0.751 1.00 95.54 3 A 1 ATOM 20 C CB . THR A 1 3 ? -7.867 -6.621 1.863 1.00 95.48 3 A 1 ATOM 21 O OG1 . THR A 1 3 ? -8.389 -7.305 2.998 1.00 90.18 3 A 1 ATOM 22 C CG2 . THR A 1 3 ? -6.677 -7.388 1.313 1.00 88.39 3 A 1 ATOM 23 N N . LYS A 1 4 ? -7.955 -3.948 0.242 1.00 97.02 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -7.648 -3.218 -0.985 1.00 97.16 4 A 1 ATOM 25 C C . LYS A 1 4 ? -6.859 -1.949 -0.672 1.00 97.22 4 A 1 ATOM 26 O O . LYS A 1 4 ? -5.924 -1.597 -1.388 1.00 96.72 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -8.941 -2.864 -1.710 1.00 96.57 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -8.716 -2.235 -3.082 1.00 92.97 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -7.960 -3.152 -4.004 1.00 89.23 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -8.113 -2.746 -5.461 1.00 84.27 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -7.641 -1.382 -5.722 1.00 77.08 4 A 1 ATOM 32 N N . PHE A 1 5 ? -7.248 -1.265 0.396 1.00 96.46 5 A 1 ATOM 33 C CA . PHE A 1 5 ? -6.585 -0.034 0.805 1.00 96.29 5 A 1 ATOM 34 C C . PHE A 1 5 ? -5.137 -0.310 1.201 1.00 96.90 5 A 1 ATOM 35 O O . PHE A 1 5 ? -4.239 0.480 0.918 1.00 96.16 5 A 1 ATOM 36 C CB . PHE A 1 5 ? -7.338 0.593 1.978 1.00 95.44 5 A 1 ATOM 37 C CG . PHE A 1 5 ? -7.168 2.089 2.034 1.00 92.41 5 A 1 ATOM 38 C CD1 . PHE A 1 5 ? -5.947 2.648 2.337 1.00 89.09 5 A 1 ATOM 39 C CD2 . PHE A 1 5 ? -8.243 2.921 1.772 1.00 89.63 5 A 1 ATOM 40 C CE1 . PHE A 1 5 ? -5.776 4.021 2.373 1.00 87.68 5 A 1 ATOM 41 C CE2 . PHE A 1 5 ? -8.085 4.296 1.811 1.00 87.72 5 A 1 ATOM 42 C CZ . PHE A 1 5 ? -6.850 4.844 2.111 1.00 87.21 5 A 1 ATOM 43 N N . PHE A 1 6 ? -4.917 -1.450 1.846 1.00 95.56 6 A 1 ATOM 44 C CA . PHE A 1 6 ? -3.573 -1.849 2.259 1.00 96.28 6 A 1 ATOM 45 C C . PHE A 1 6 ? -2.642 -1.945 1.061 1.00 97.24 6 A 1 ATOM 46 O O . PHE A 1 6 ? -1.516 -1.446 1.090 1.00 96.96 6 A 1 ATOM 47 C CB . PHE A 1 6 ? -3.628 -3.197 2.982 1.00 95.86 6 A 1 ATOM 48 C CG . PHE A 1 6 ? -3.431 -3.065 4.469 1.00 93.83 6 A 1 ATOM 49 C CD1 . PHE A 1 6 ? -4.441 -2.570 5.270 1.00 91.07 6 A 1 ATOM 50 C CD2 . PHE A 1 6 ? -2.230 -3.435 5.047 1.00 91.21 6 A 1 ATOM 51 C CE1 . PHE A 1 6 ? -4.260 -2.438 6.637 1.00 90.09 6 A 1 ATOM 52 C CE2 . PHE A 1 6 ? -2.041 -3.308 6.415 1.00 90.36 6 A 1 ATOM 53 C CZ . PHE A 1 6 ? -3.059 -2.811 7.213 1.00 90.31 6 A 1 ATOM 54 N N . ILE A 1 7 ? -3.121 -2.578 -0.001 1.00 96.53 7 A 1 ATOM 55 C CA . ILE A 1 7 ? -2.339 -2.732 -1.221 1.00 96.96 7 A 1 ATOM 56 C C . ILE A 1 7 ? -2.065 -1.380 -1.860 1.00 97.28 7 A 1 ATOM 57 O O . ILE A 1 7 ? -0.944 -1.092 -2.284 1.00 97.00 7 A 1 ATOM 58 C CB . ILE A 1 7 ? -3.065 -3.643 -2.217 1.00 96.79 7 A 1 ATOM 59 C CG1 . ILE A 1 7 ? -3.365 -5.005 -1.586 1.00 94.36 7 A 1 ATOM 60 C CG2 . ILE A 1 7 ? -2.220 -3.816 -3.478 1.00 93.47 7 A 1 ATOM 61 C CD1 . ILE A 1 7 ? -2.120 -5.732 -1.115 1.00 88.26 7 A 1 ATOM 62 N N . GLY A 1 8 ? -3.094 -0.553 -1.934 1.00 96.94 8 A 1 ATOM 63 C CA . GLY A 1 8 ? -2.955 0.768 -2.526 1.00 96.93 8 A 1 ATOM 64 C C . GLY A 1 8 ? -1.926 1.615 -1.805 1.00 97.47 8 A 1 ATOM 65 O O . GLY A 1 8 ? -1.086 2.265 -2.425 1.00 97.21 8 A 1 ATOM 66 N N . THR A 1 9 ? -1.974 1.592 -0.486 1.00 97.15 9 A 1 ATOM 67 C CA . THR A 1 9 ? -1.039 2.361 0.330 1.00 97.25 9 A 1 ATOM 68 C C . THR A 1 9 ? 0.385 1.839 0.172 1.00 97.71 9 A 1 ATOM 69 O O . THR A 1 9 ? 1.333 2.614 0.053 1.00 97.30 9 A 1 ATOM 70 C CB . THR A 1 9 ? -1.433 2.297 1.813 1.00 96.54 9 A 1 ATOM 71 O OG1 . THR A 1 9 ? -2.777 2.740 1.973 1.00 91.72 9 A 1 ATOM 72 C CG2 . THR A 1 9 ? -0.520 3.178 2.646 1.00 90.10 9 A 1 ATOM 73 N N . ALA A 1 10 ? 0.536 0.522 0.165 1.00 96.98 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 1.849 -0.097 0.022 1.00 97.30 10 A 1 ATOM 75 C C . ALA A 1 10 ? 2.495 0.281 -1.306 1.00 97.75 10 A 1 ATOM 76 O O . ALA A 1 10 ? 3.681 0.616 -1.357 1.00 97.22 10 A 1 ATOM 77 C CB . ALA A 1 10 ? 1.720 -1.612 0.129 1.00 96.77 10 A 1 ATOM 78 N N . ILE A 1 11 ? 1.719 0.233 -2.376 1.00 97.26 11 A 1 ATOM 79 C CA . ILE A 1 11 ? 2.213 0.582 -3.703 1.00 97.41 11 A 1 ATOM 80 C C . ILE A 1 11 ? 2.598 2.052 -3.768 1.00 97.74 11 A 1 ATOM 81 O O . ILE A 1 11 ? 3.628 2.414 -4.340 1.00 97.49 11 A 1 ATOM 82 C CB . ILE A 1 11 ? 1.161 0.270 -4.773 1.00 97.20 11 A 1 ATOM 83 C CG1 . ILE A 1 11 ? 0.852 -1.232 -4.800 1.00 95.39 11 A 1 ATOM 84 C CG2 . ILE A 1 11 ? 1.645 0.733 -6.142 1.00 94.80 11 A 1 ATOM 85 C CD1 . ILE A 1 11 ? 2.063 -2.081 -5.133 1.00 91.20 11 A 1 ATOM 86 N N . ALA A 1 12 ? 1.774 2.896 -3.185 1.00 97.54 12 A 1 ATOM 87 C CA . ALA A 1 12 ? 2.029 4.334 -3.179 1.00 97.58 12 A 1 ATOM 88 C C . ALA A 1 12 ? 3.372 4.653 -2.529 1.00 97.81 12 A 1 ATOM 89 O O . ALA A 1 12 ? 4.160 5.435 -3.058 1.00 97.29 12 A 1 ATOM 90 C CB . ALA A 1 12 ? 0.909 5.056 -2.440 1.00 97.10 12 A 1 ATOM 91 N N . VAL A 1 13 ? 3.634 4.043 -1.385 1.00 97.42 13 A 1 ATOM 92 C CA . VAL A 1 13 ? 4.891 4.254 -0.668 1.00 97.46 13 A 1 ATOM 93 C C . VAL A 1 13 ? 6.073 3.722 -1.468 1.00 97.75 13 A 1 ATOM 94 O O . VAL A 1 13 ? 7.126 4.359 -1.550 1.00 97.22 13 A 1 ATOM 95 C CB . VAL A 1 13 ? 4.853 3.578 0.710 1.00 96.75 13 A 1 ATOM 96 C CG1 . VAL A 1 13 ? 6.191 3.739 1.421 1.00 93.52 13 A 1 ATOM 97 C CG2 . VAL A 1 13 ? 3.738 4.169 1.554 1.00 93.88 13 A 1 ATOM 98 N N . SER A 1 14 ? 5.898 2.544 -2.055 1.00 97.81 14 A 1 ATOM 99 C CA . SER A 1 14 ? 6.949 1.918 -2.851 1.00 97.76 14 A 1 ATOM 100 C C . SER A 1 14 ? 7.313 2.778 -4.056 1.00 98.07 14 A 1 ATOM 101 O O . SER A 1 14 ? 8.493 2.967 -4.363 1.00 97.42 14 A 1 ATOM 102 C CB . SER A 1 14 ? 6.503 0.535 -3.320 1.00 97.00 14 A 1 ATOM 103 O OG . SER A 1 14 ? 7.539 -0.098 -4.027 1.00 88.75 14 A 1 ATOM 104 N N . VAL A 1 15 ? 6.310 3.298 -4.737 1.00 97.73 15 A 1 ATOM 105 C CA . VAL A 1 15 ? 6.518 4.148 -5.908 1.00 97.89 15 A 1 ATOM 106 C C . VAL A 1 15 ? 7.209 5.449 -5.520 1.00 98.13 15 A 1 ATOM 107 O O . VAL A 1 15 ? 8.101 5.931 -6.224 1.00 97.68 15 A 1 ATOM 108 C CB . VAL A 1 15 ? 5.183 4.458 -6.603 1.00 97.29 15 A 1 ATOM 109 C CG1 . VAL A 1 15 ? 5.383 5.455 -7.737 1.00 94.34 15 A 1 ATOM 110 C CG2 . VAL A 1 15 ? 4.562 3.178 -7.144 1.00 93.91 15 A 1 ATOM 111 N N . LEU A 1 16 ? 6.798 6.008 -4.402 1.00 97.67 16 A 1 ATOM 112 C CA . LEU A 1 16 ? 7.386 7.255 -3.919 1.00 97.40 16 A 1 ATOM 113 C C . LEU A 1 16 ? 8.866 7.078 -3.599 1.00 97.59 16 A 1 ATOM 114 O O . LEU A 1 16 ? 9.680 7.969 -3.849 1.00 97.00 16 A 1 ATOM 115 C CB . LEU A 1 16 ? 6.642 7.732 -2.670 1.00 96.79 16 A 1 ATOM 116 C CG . LEU A 1 16 ? 7.115 9.085 -2.137 1.00 92.09 16 A 1 ATOM 117 C CD1 . LEU A 1 16 ? 6.850 10.185 -3.151 1.00 89.15 16 A 1 ATOM 118 C CD2 . LEU A 1 16 ? 6.419 9.406 -0.821 1.00 88.84 16 A 1 ATOM 119 N N . SER A 1 17 ? 9.205 5.941 -3.037 1.00 97.73 17 A 1 ATOM 120 C CA . SER A 1 17 ? 10.589 5.639 -2.682 1.00 97.64 17 A 1 ATOM 121 C C . SER A 1 17 ? 11.453 5.429 -3.921 1.00 97.77 17 A 1 ATOM 122 O O . SER A 1 17 ? 12.628 5.813 -3.945 1.00 96.45 17 A 1 ATOM 123 C CB . SER A 1 17 ? 10.644 4.388 -1.802 1.00 96.36 17 A 1 ATOM 124 O OG . SER A 1 17 ? 11.967 4.134 -1.389 1.00 88.84 17 A 1 ATOM 125 N N . ALA A 1 18 ? 10.870 4.814 -4.941 1.00 95.97 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 11.582 4.524 -6.183 1.00 94.57 18 A 1 ATOM 127 C C . ALA A 1 18 ? 11.460 5.693 -7.147 1.00 93.68 18 A 1 ATOM 128 O O . ALA A 1 18 ? 12.472 6.381 -7.390 1.00 90.41 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 11.042 3.246 -6.818 1.00 91.84 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? 10.365 5.899 -7.676 1.00 83.82 18 A 1 #