# 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_spkb23874 # _entry.id spkb23874 # 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" "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" "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 GLN 2 1 n TYR 3 1 n LYS 4 1 n LYS 5 1 n SER 6 1 n LEU 7 1 n VAL 8 1 n ALA 9 1 n SER 10 1 n ALA 11 1 n LEU 12 1 n VAL 13 1 n THR 14 1 n THR 15 1 n SER 16 1 n LEU 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 @ 2025-07-06 07:22:22)" _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 92.87 _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 83.10 1 1 A GLN 2 2 86.44 1 2 A TYR 3 2 89.37 1 3 A LYS 4 2 91.35 1 4 A LYS 5 2 91.08 1 5 A SER 6 2 94.81 1 6 A LEU 7 2 94.28 1 7 A VAL 8 2 96.90 1 8 A ALA 9 2 97.39 1 9 A SER 10 2 95.83 1 10 A ALA 11 2 97.78 1 11 A LEU 12 2 95.34 1 12 A VAL 13 2 96.80 1 13 A THR 14 2 95.60 1 14 A THR 15 2 95.12 1 15 A SER 16 2 95.56 1 16 A LEU 17 2 93.30 1 17 A ALA 18 2 91.19 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 GLN . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 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 ? 4.410 3.874 11.276 1.00 88.56 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.844 5.160 10.850 1.00 90.02 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.839 4.961 9.721 1.00 91.43 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.114 5.243 8.557 1.00 88.87 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.952 6.097 10.380 1.00 84.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.883 6.481 11.515 1.00 80.10 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.184 7.595 10.983 1.00 75.08 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.995 7.876 12.541 1.00 65.86 1 A 1 ATOM 9 N N . GLN A 1 2 ? 1.652 4.496 10.107 1.00 91.74 2 A 1 ATOM 10 C CA . GLN A 1 2 ? 0.586 4.279 9.131 1.00 93.97 2 A 1 ATOM 11 C C . GLN A 1 2 ? 1.021 3.335 8.014 1.00 95.02 2 A 1 ATOM 12 O O . GLN A 1 2 ? 0.852 3.626 6.828 1.00 91.97 2 A 1 ATOM 13 C CB . GLN A 1 2 ? 0.140 5.612 8.534 1.00 91.09 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -0.336 6.600 9.584 1.00 82.59 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -1.582 6.121 10.300 1.00 82.03 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -2.267 5.233 9.827 1.00 76.90 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -1.890 6.701 11.439 1.00 72.68 2 A 1 ATOM 18 N N . TYR A 1 3 ? 1.597 2.221 8.394 1.00 92.23 3 A 1 ATOM 19 C CA . TYR A 1 3 ? 2.038 1.233 7.413 1.00 93.45 3 A 1 ATOM 20 C C . TYR A 1 3 ? 0.843 0.578 6.732 1.00 95.17 3 A 1 ATOM 21 O O . TYR A 1 3 ? 0.973 0.017 5.645 1.00 93.91 3 A 1 ATOM 22 C CB . TYR A 1 3 ? 2.877 0.149 8.099 1.00 92.47 3 A 1 ATOM 23 C CG . TYR A 1 3 ? 4.030 0.713 8.894 1.00 89.07 3 A 1 ATOM 24 C CD1 . TYR A 1 3 ? 5.103 1.317 8.253 1.00 87.50 3 A 1 ATOM 25 C CD2 . TYR A 1 3 ? 4.036 0.634 10.277 1.00 87.10 3 A 1 ATOM 26 C CE1 . TYR A 1 3 ? 6.164 1.831 8.982 1.00 84.98 3 A 1 ATOM 27 C CE2 . TYR A 1 3 ? 5.095 1.150 11.014 1.00 86.22 3 A 1 ATOM 28 C CZ . TYR A 1 3 ? 6.154 1.743 10.359 1.00 86.17 3 A 1 ATOM 29 O OH . TYR A 1 3 ? 7.192 2.248 11.088 1.00 84.18 3 A 1 ATOM 30 N N . LYS A 1 4 ? -0.331 0.670 7.366 1.00 96.16 4 A 1 ATOM 31 C CA . LYS A 1 4 ? -1.551 0.068 6.839 1.00 96.82 4 A 1 ATOM 32 C C . LYS A 1 4 ? -1.861 0.590 5.441 1.00 96.84 4 A 1 ATOM 33 O O . LYS A 1 4 ? -2.069 -0.185 4.511 1.00 96.69 4 A 1 ATOM 34 C CB . LYS A 1 4 ? -2.720 0.368 7.775 1.00 96.55 4 A 1 ATOM 35 C CG . LYS A 1 4 ? -2.556 -0.250 9.156 1.00 92.05 4 A 1 ATOM 36 C CD . LYS A 1 4 ? -2.657 -1.759 9.097 1.00 89.57 4 A 1 ATOM 37 C CE . LYS A 1 4 ? -2.588 -2.374 10.482 1.00 82.22 4 A 1 ATOM 38 N NZ . LYS A 1 4 ? -2.703 -3.857 10.423 1.00 75.29 4 A 1 ATOM 39 N N . LYS A 1 5 ? -1.893 1.911 5.288 1.00 96.34 5 A 1 ATOM 40 C CA . LYS A 1 5 ? -2.202 2.524 3.999 1.00 96.60 5 A 1 ATOM 41 C C . LYS A 1 5 ? -1.124 2.213 2.971 1.00 96.86 5 A 1 ATOM 42 O O . LYS A 1 5 ? -1.429 1.876 1.831 1.00 96.65 5 A 1 ATOM 43 C CB . LYS A 1 5 ? -2.366 4.033 4.156 1.00 96.23 5 A 1 ATOM 44 C CG . LYS A 1 5 ? -3.588 4.394 4.984 1.00 91.64 5 A 1 ATOM 45 C CD . LYS A 1 5 ? -3.746 5.897 5.096 1.00 88.25 5 A 1 ATOM 46 C CE . LYS A 1 5 ? -4.972 6.251 5.927 1.00 82.61 5 A 1 ATOM 47 N NZ . LYS A 1 5 ? -5.125 7.723 6.081 1.00 74.54 5 A 1 ATOM 48 N N . SER A 1 6 ? 0.130 2.330 3.369 1.00 96.79 6 A 1 ATOM 49 C CA . SER A 1 6 ? 1.243 2.062 2.467 1.00 96.67 6 A 1 ATOM 50 C C . SER A 1 6 ? 1.266 0.594 2.055 1.00 97.24 6 A 1 ATOM 51 O O . SER A 1 6 ? 1.494 0.266 0.894 1.00 96.69 6 A 1 ATOM 52 C CB . SER A 1 6 ? 2.565 2.436 3.129 1.00 96.19 6 A 1 ATOM 53 O OG . SER A 1 6 ? 2.602 3.817 3.429 1.00 85.31 6 A 1 ATOM 54 N N . LEU A 1 7 ? 1.013 -0.281 3.011 1.00 95.88 7 A 1 ATOM 55 C CA . LEU A 1 7 ? 0.996 -1.714 2.751 1.00 96.51 7 A 1 ATOM 56 C C . LEU A 1 7 ? -0.129 -2.081 1.795 1.00 97.34 7 A 1 ATOM 57 O O . LEU A 1 7 ? 0.079 -2.823 0.833 1.00 97.27 7 A 1 ATOM 58 C CB . LEU A 1 7 ? 0.824 -2.468 4.069 1.00 96.65 7 A 1 ATOM 59 C CG . LEU A 1 7 ? 0.915 -3.981 3.924 1.00 92.12 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? 2.309 -4.391 3.489 1.00 88.88 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? 0.560 -4.655 5.244 1.00 89.62 7 A 1 ATOM 62 N N . VAL A 1 8 ? -1.322 -1.556 2.056 1.00 97.59 8 A 1 ATOM 63 C CA . VAL A 1 8 ? -2.482 -1.818 1.209 1.00 97.59 8 A 1 ATOM 64 C C . VAL A 1 8 ? -2.269 -1.229 -0.178 1.00 97.76 8 A 1 ATOM 65 O O . VAL A 1 8 ? -2.595 -1.855 -1.189 1.00 97.55 8 A 1 ATOM 66 C CB . VAL A 1 8 ? -3.761 -1.238 1.834 1.00 97.21 8 A 1 ATOM 67 C CG1 . VAL A 1 8 ? -4.939 -1.386 0.885 1.00 95.05 8 A 1 ATOM 68 C CG2 . VAL A 1 8 ? -4.057 -1.938 3.147 1.00 95.52 8 A 1 ATOM 69 N N . ALA A 1 9 ? -1.731 -0.025 -0.229 1.00 97.51 9 A 1 ATOM 70 C CA . ALA A 1 9 ? -1.472 0.642 -1.502 1.00 97.46 9 A 1 ATOM 71 C C . ALA A 1 9 ? -0.485 -0.162 -2.338 1.00 97.74 9 A 1 ATOM 72 O O . ALA A 1 9 ? -0.621 -0.257 -3.556 1.00 97.21 9 A 1 ATOM 73 C CB . ALA A 1 9 ? -0.927 2.042 -1.253 1.00 97.01 9 A 1 ATOM 74 N N . SER A 1 10 ? 0.504 -0.740 -1.684 1.00 97.91 10 A 1 ATOM 75 C CA . SER A 1 10 ? 1.505 -1.551 -2.367 1.00 97.66 10 A 1 ATOM 76 C C . SER A 1 10 ? 0.861 -2.779 -2.994 1.00 97.95 10 A 1 ATOM 77 O O . SER A 1 10 ? 1.174 -3.147 -4.125 1.00 97.49 10 A 1 ATOM 78 C CB . SER A 1 10 ? 2.590 -1.985 -1.390 1.00 96.83 10 A 1 ATOM 79 O OG . SER A 1 10 ? 3.596 -2.693 -2.069 1.00 87.12 10 A 1 ATOM 80 N N . ALA A 1 11 ? -0.044 -3.406 -2.257 1.00 97.73 11 A 1 ATOM 81 C CA . ALA A 1 11 ? -0.745 -4.584 -2.754 1.00 97.87 11 A 1 ATOM 82 C C . ALA A 1 11 ? -1.683 -4.218 -3.898 1.00 98.14 11 A 1 ATOM 83 O O . ALA A 1 11 ? -1.794 -4.956 -4.876 1.00 97.51 11 A 1 ATOM 84 C CB . ALA A 1 11 ? -1.530 -5.229 -1.620 1.00 97.64 11 A 1 ATOM 85 N N . LEU A 1 12 ? -2.338 -3.072 -3.781 1.00 97.84 12 A 1 ATOM 86 C CA . LEU A 1 12 ? -3.270 -2.613 -4.805 1.00 97.64 12 A 1 ATOM 87 C C . LEU A 1 12 ? -2.544 -2.283 -6.098 1.00 97.91 12 A 1 ATOM 88 O O . LEU A 1 12 ? -2.980 -2.675 -7.179 1.00 97.44 12 A 1 ATOM 89 C CB . LEU A 1 12 ? -4.029 -1.385 -4.310 1.00 97.21 12 A 1 ATOM 90 C CG . LEU A 1 12 ? -5.057 -1.690 -3.225 1.00 93.30 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? -5.612 -0.398 -2.649 1.00 90.23 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? -6.188 -2.539 -3.783 1.00 91.18 12 A 1 ATOM 93 N N . VAL A 1 13 ? -1.448 -1.560 -5.994 1.00 97.95 13 A 1 ATOM 94 C CA . VAL A 1 13 ? -0.682 -1.178 -7.179 1.00 97.74 13 A 1 ATOM 95 C C . VAL A 1 13 ? -0.135 -2.419 -7.872 1.00 98.00 13 A 1 ATOM 96 O O . VAL A 1 13 ? -0.099 -2.494 -9.099 1.00 97.67 13 A 1 ATOM 97 C CB . VAL A 1 13 ? 0.469 -0.220 -6.815 1.00 96.97 13 A 1 ATOM 98 C CG1 . VAL A 1 13 ? 1.512 -0.919 -5.957 1.00 94.47 13 A 1 ATOM 99 C CG2 . VAL A 1 13 ? 1.106 0.332 -8.075 1.00 94.78 13 A 1 ATOM 100 N N . THR A 1 14 ? 0.282 -3.391 -7.091 1.00 97.61 14 A 1 ATOM 101 C CA . THR A 1 14 ? 0.806 -4.636 -7.636 1.00 97.47 14 A 1 ATOM 102 C C . THR A 1 14 ? -0.296 -5.408 -8.345 1.00 97.69 14 A 1 ATOM 103 O O . THR A 1 14 ? -0.083 -5.960 -9.424 1.00 96.74 14 A 1 ATOM 104 C CB . THR A 1 14 ? 1.405 -5.504 -6.527 1.00 96.69 14 A 1 ATOM 105 O OG1 . THR A 1 14 ? 2.466 -4.797 -5.887 1.00 91.98 14 A 1 ATOM 106 C CG2 . THR A 1 14 ? 1.958 -6.796 -7.108 1.00 91.04 14 A 1 ATOM 107 N N . THR A 1 15 ? -1.472 -5.445 -7.739 1.00 97.54 15 A 1 ATOM 108 C CA . THR A 1 15 ? -2.615 -6.151 -8.308 1.00 97.03 15 A 1 ATOM 109 C C . THR A 1 15 ? -3.061 -5.503 -9.613 1.00 97.31 15 A 1 ATOM 110 O O . THR A 1 15 ? -3.361 -6.195 -10.585 1.00 96.10 15 A 1 ATOM 111 C CB . THR A 1 15 ? -3.790 -6.158 -7.327 1.00 96.01 15 A 1 ATOM 112 O OG1 . THR A 1 15 ? -3.393 -6.803 -6.116 1.00 91.11 15 A 1 ATOM 113 C CG2 . THR A 1 15 ? -4.973 -6.909 -7.915 1.00 90.73 15 A 1 ATOM 114 N N . SER A 1 16 ? -3.104 -4.174 -9.636 1.00 97.44 16 A 1 ATOM 115 C CA . SER A 1 16 ? -3.537 -3.437 -10.820 1.00 97.22 16 A 1 ATOM 116 C C . SER A 1 16 ? -2.542 -3.584 -11.966 1.00 97.43 16 A 1 ATOM 117 O O . SER A 1 16 ? -2.928 -3.786 -13.113 1.00 95.98 16 A 1 ATOM 118 C CB . SER A 1 16 ? -3.719 -1.959 -10.489 1.00 96.38 16 A 1 ATOM 119 O OG . SER A 1 16 ? -4.742 -1.788 -9.533 1.00 88.88 16 A 1 ATOM 120 N N . LEU A 1 17 ? -1.265 -3.465 -11.649 1.00 96.58 17 A 1 ATOM 121 C CA . LEU A 1 17 ? -0.218 -3.556 -12.658 1.00 96.56 17 A 1 ATOM 122 C C . LEU A 1 17 ? 0.077 -4.997 -13.042 1.00 96.94 17 A 1 ATOM 123 O O . LEU A 1 17 ? 0.355 -5.292 -14.207 1.00 96.01 17 A 1 ATOM 124 C CB . LEU A 1 17 ? 1.054 -2.885 -12.142 1.00 95.32 17 A 1 ATOM 125 C CG . LEU A 1 17 ? 0.924 -1.377 -11.938 1.00 91.14 17 A 1 ATOM 126 C CD1 . LEU A 1 17 ? 2.174 -0.828 -11.259 1.00 87.29 17 A 1 ATOM 127 C CD2 . LEU A 1 17 ? 0.699 -0.674 -13.265 1.00 86.56 17 A 1 ATOM 128 N N . ALA A 1 18 ? 0.035 -5.879 -12.067 1.00 95.06 18 A 1 ATOM 129 C CA . ALA A 1 18 ? 0.314 -7.294 -12.284 1.00 94.16 18 A 1 ATOM 130 C C . ALA A 1 18 ? -0.860 -7.968 -12.986 1.00 93.36 18 A 1 ATOM 131 O O . ALA A 1 18 ? -0.642 -8.638 -14.009 1.00 90.06 18 A 1 ATOM 132 C CB . ALA A 1 18 ? 0.624 -7.978 -10.956 1.00 90.92 18 A 1 ATOM 133 O OXT . ALA A 1 18 ? -1.982 -7.858 -12.496 1.00 83.57 18 A 1 #