# 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_spkb25688 # _entry.id spkb25688 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 LEU 5 1 n SER 6 1 n VAL 7 1 n LEU 8 1 n LEU 9 1 n CYS 10 1 n LEU 11 1 n GLY 12 1 n LEU 13 1 n ALA 14 1 n LEU 15 1 n THR 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 @ 2025-07-09 19:33:18)" _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 94.02 _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 83.89 1 1 A ARG 2 2 84.73 1 2 A LEU 3 2 91.89 1 3 A SER 4 2 95.12 1 4 A LEU 5 2 95.48 1 5 A SER 6 2 96.47 1 6 A VAL 7 2 97.56 1 7 A LEU 8 2 96.78 1 8 A LEU 9 2 96.35 1 9 A CYS 10 2 97.76 1 10 A LEU 11 2 96.69 1 11 A GLY 12 2 98.37 1 12 A LEU 13 2 96.37 1 13 A ALA 14 2 98.32 1 14 A LEU 15 2 96.63 1 15 A THR 16 2 95.75 1 16 A LEU 17 2 93.63 1 17 A ALA 18 2 89.08 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 ARG . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 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 ? -8.442 2.570 15.030 1.00 89.70 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.478 3.254 14.149 1.00 90.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.873 3.114 12.676 1.00 92.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.032 2.900 12.349 1.00 89.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.083 2.662 14.359 1.00 85.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.461 3.150 15.669 1.00 81.13 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.048 2.209 17.069 1.00 76.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.399 3.190 18.413 1.00 64.78 1 A 1 ATOM 9 N N . ARG A 1 2 ? -6.904 3.229 11.781 1.00 92.38 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -7.137 3.130 10.340 1.00 94.88 2 A 1 ATOM 11 C C . ARG A 1 2 ? -6.455 1.890 9.764 1.00 96.42 2 A 1 ATOM 12 O O . ARG A 1 2 ? -5.299 1.942 9.351 1.00 94.41 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -6.625 4.388 9.637 1.00 92.07 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -5.381 4.968 10.272 1.00 85.28 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -4.943 6.238 9.566 1.00 84.63 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -3.647 6.068 8.914 1.00 78.01 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -2.998 7.056 8.305 1.00 76.03 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -3.496 8.280 8.263 1.00 68.30 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -1.842 6.805 7.720 1.00 69.57 2 A 1 ATOM 20 N N . LEU A 1 3 ? -7.206 0.792 9.717 1.00 95.45 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -6.681 -0.473 9.195 1.00 95.57 3 A 1 ATOM 22 C C . LEU A 1 3 ? -6.716 -0.514 7.669 1.00 96.62 3 A 1 ATOM 23 O O . LEU A 1 3 ? -5.857 -1.134 7.040 1.00 95.28 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -7.493 -1.637 9.773 1.00 94.65 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -7.326 -1.838 11.275 1.00 89.75 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -8.606 -2.399 11.876 1.00 84.63 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -6.157 -2.778 11.546 1.00 83.16 3 A 1 ATOM 28 N N . SER A 1 4 ? -7.702 0.136 7.082 1.00 97.39 4 A 1 ATOM 29 C CA . SER A 1 4 ? -7.849 0.165 5.624 1.00 97.61 4 A 1 ATOM 30 C C . SER A 1 4 ? -6.804 1.064 4.964 1.00 97.97 4 A 1 ATOM 31 O O . SER A 1 4 ? -6.366 0.801 3.844 1.00 97.49 4 A 1 ATOM 32 C CB . SER A 1 4 ? -9.254 0.639 5.260 1.00 96.70 4 A 1 ATOM 33 O OG . SER A 1 4 ? -9.546 1.879 5.862 1.00 83.56 4 A 1 ATOM 34 N N . LEU A 1 5 ? -6.398 2.114 5.660 1.00 97.54 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -5.405 3.047 5.130 1.00 97.75 5 A 1 ATOM 36 C C . LEU A 1 5 ? -4.008 2.434 5.133 1.00 98.15 5 A 1 ATOM 37 O O . LEU A 1 5 ? -3.246 2.596 4.179 1.00 97.76 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -5.421 4.341 5.950 1.00 97.39 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -5.429 5.619 5.119 1.00 94.09 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -5.978 6.785 5.936 1.00 90.42 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -4.033 5.945 4.622 1.00 90.75 5 A 1 ATOM 42 N N . SER A 1 6 ? -3.667 1.721 6.193 1.00 98.07 6 A 1 ATOM 43 C CA . SER A 1 6 ? -2.361 1.073 6.315 1.00 98.15 6 A 1 ATOM 44 C C . SER A 1 6 ? -2.186 -0.021 5.269 1.00 98.37 6 A 1 ATOM 45 O O . SER A 1 6 ? -1.109 -0.181 4.697 1.00 98.01 6 A 1 ATOM 46 C CB . SER A 1 6 ? -2.188 0.489 7.714 1.00 97.57 6 A 1 ATOM 47 O OG . SER A 1 6 ? -1.530 1.409 8.562 1.00 88.63 6 A 1 ATOM 48 N N . VAL A 1 7 ? -3.250 -0.771 5.013 1.00 98.22 7 A 1 ATOM 49 C CA . VAL A 1 7 ? -3.222 -1.849 4.018 1.00 98.30 7 A 1 ATOM 50 C C . VAL A 1 7 ? -3.036 -1.280 2.613 1.00 98.42 7 A 1 ATOM 51 O O . VAL A 1 7 ? -2.304 -1.846 1.795 1.00 98.18 7 A 1 ATOM 52 C CB . VAL A 1 7 ? -4.511 -2.686 4.088 1.00 98.00 7 A 1 ATOM 53 C CG1 . VAL A 1 7 ? -4.539 -3.740 2.992 1.00 96.09 7 A 1 ATOM 54 C CG2 . VAL A 1 7 ? -4.638 -3.351 5.449 1.00 95.74 7 A 1 ATOM 55 N N . LEU A 1 8 ? -3.696 -0.162 2.341 1.00 98.27 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -3.604 0.491 1.038 1.00 98.31 8 A 1 ATOM 57 C C . LEU A 1 8 ? -2.192 1.017 0.793 1.00 98.42 8 A 1 ATOM 58 O O . LEU A 1 8 ? -1.667 0.937 -0.316 1.00 98.23 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -4.614 1.641 0.954 1.00 98.19 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -5.669 1.515 -0.142 1.00 95.78 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -5.026 1.439 -1.518 1.00 93.45 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -6.548 0.303 0.101 1.00 93.59 8 A 1 ATOM 63 N N . LEU A 1 9 ? -1.585 1.561 1.838 1.00 98.14 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -0.230 2.096 1.745 1.00 98.15 9 A 1 ATOM 65 C C . LEU A 1 9 ? 0.784 0.981 1.501 1.00 98.37 9 A 1 ATOM 66 O O . LEU A 1 9 ? 1.720 1.140 0.717 1.00 98.23 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 0.120 2.848 3.035 1.00 97.98 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 0.672 4.253 2.816 1.00 94.66 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -0.205 5.292 3.501 1.00 92.18 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 2.095 4.352 3.330 1.00 93.11 9 A 1 ATOM 71 N N . CYS A 1 10 ? 0.598 -0.149 2.170 1.00 98.23 10 A 1 ATOM 72 C CA . CYS A 1 10 ? 1.488 -1.298 2.017 1.00 98.33 10 A 1 ATOM 73 C C . CYS A 1 10 ? 1.379 -1.899 0.617 1.00 98.48 10 A 1 ATOM 74 O O . CYS A 1 10 ? 2.378 -2.302 0.026 1.00 98.13 10 A 1 ATOM 75 C CB . CYS A 1 10 ? 1.159 -2.358 3.070 1.00 98.01 10 A 1 ATOM 76 S SG . CYS A 1 10 ? 2.173 -2.219 4.558 1.00 95.38 10 A 1 ATOM 77 N N . LEU A 1 11 ? 0.153 -1.959 0.102 1.00 98.19 11 A 1 ATOM 78 C CA . LEU A 1 11 ? -0.085 -2.507 -1.231 1.00 98.20 11 A 1 ATOM 79 C C . LEU A 1 11 ? 0.549 -1.638 -2.313 1.00 98.45 11 A 1 ATOM 80 O O . LEU A 1 11 ? 1.134 -2.152 -3.269 1.00 98.27 11 A 1 ATOM 81 C CB . LEU A 1 11 ? -1.590 -2.623 -1.475 1.00 97.92 11 A 1 ATOM 82 C CG . LEU A 1 11 ? -2.223 -3.909 -0.938 1.00 95.45 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? -3.716 -3.732 -0.738 1.00 93.51 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? -1.952 -5.060 -1.902 1.00 93.56 11 A 1 ATOM 85 N N . GLY A 1 12 ? 0.428 -0.331 -2.159 1.00 98.33 12 A 1 ATOM 86 C CA . GLY A 1 12 ? 1.011 0.603 -3.117 1.00 98.33 12 A 1 ATOM 87 C C . GLY A 1 12 ? 2.527 0.573 -3.100 1.00 98.53 12 A 1 ATOM 88 O O . GLY A 1 12 ? 3.177 0.688 -4.140 1.00 98.30 12 A 1 ATOM 89 N N . LEU A 1 13 ? 3.093 0.415 -1.913 1.00 98.26 13 A 1 ATOM 90 C CA . LEU A 1 13 ? 4.545 0.357 -1.752 1.00 98.22 13 A 1 ATOM 91 C C . LEU A 1 13 ? 5.105 -0.932 -2.342 1.00 98.45 13 A 1 ATOM 92 O O . LEU A 1 13 ? 6.190 -0.935 -2.926 1.00 98.09 13 A 1 ATOM 93 C CB . LEU A 1 13 ? 4.908 0.456 -0.267 1.00 97.90 13 A 1 ATOM 94 C CG . LEU A 1 13 ? 6.295 1.027 0.003 1.00 94.98 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? 6.199 2.285 0.859 1.00 92.37 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? 7.178 -0.001 0.675 1.00 92.69 13 A 1 ATOM 97 N N . ALA A 1 14 ? 4.377 -2.030 -2.189 1.00 98.47 14 A 1 ATOM 98 C CA . ALA A 1 14 ? 4.801 -3.326 -2.716 1.00 98.44 14 A 1 ATOM 99 C C . ALA A 1 14 ? 4.772 -3.345 -4.242 1.00 98.55 14 A 1 ATOM 100 O O . ALA A 1 14 ? 5.576 -4.028 -4.876 1.00 98.06 14 A 1 ATOM 101 C CB . ALA A 1 14 ? 3.905 -4.429 -2.159 1.00 98.06 14 A 1 ATOM 102 N N . LEU A 1 15 ? 3.845 -2.594 -4.827 1.00 98.38 15 A 1 ATOM 103 C CA . LEU A 1 15 ? 3.717 -2.524 -6.283 1.00 98.35 15 A 1 ATOM 104 C C . LEU A 1 15 ? 4.900 -1.803 -6.917 1.00 98.46 15 A 1 ATOM 105 O O . LEU A 1 15 ? 5.345 -2.168 -8.007 1.00 97.90 15 A 1 ATOM 106 C CB . LEU A 1 15 ? 2.417 -1.809 -6.654 1.00 98.06 15 A 1 ATOM 107 C CG . LEU A 1 15 ? 1.189 -2.716 -6.700 1.00 96.01 15 A 1 ATOM 108 C CD1 . LEU A 1 15 ? -0.085 -1.902 -6.568 1.00 93.17 15 A 1 ATOM 109 C CD2 . LEU A 1 15 ? 1.178 -3.509 -8.002 1.00 92.68 15 A 1 ATOM 110 N N . THR A 1 16 ? 5.406 -0.782 -6.252 1.00 98.01 16 A 1 ATOM 111 C CA . THR A 1 16 ? 6.541 -0.016 -6.766 1.00 97.79 16 A 1 ATOM 112 C C . THR A 1 16 ? 7.880 -0.626 -6.350 1.00 97.85 16 A 1 ATOM 113 O O . THR A 1 16 ? 8.909 -0.365 -6.978 1.00 96.42 16 A 1 ATOM 114 C CB . THR A 1 16 ? 6.466 1.448 -6.298 1.00 96.89 16 A 1 ATOM 115 O OG1 . THR A 1 16 ? 7.609 2.165 -6.772 1.00 92.32 16 A 1 ATOM 116 C CG2 . THR A 1 16 ? 6.425 1.557 -4.792 1.00 90.97 16 A 1 ATOM 117 N N . LEU A 1 17 ? 7.865 -1.430 -5.301 1.00 97.19 17 A 1 ATOM 118 C CA . LEU A 1 17 ? 9.082 -2.073 -4.803 1.00 96.85 17 A 1 ATOM 119 C C . LEU A 1 17 ? 9.375 -3.372 -5.545 1.00 97.16 17 A 1 ATOM 120 O O . LEU A 1 17 ? 10.484 -3.583 -6.045 1.00 95.51 17 A 1 ATOM 121 C CB . LEU A 1 17 ? 8.957 -2.335 -3.297 1.00 95.80 17 A 1 ATOM 122 C CG . LEU A 1 17 ? 10.243 -2.157 -2.488 1.00 92.73 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? 11.302 -3.156 -2.900 1.00 87.95 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? 10.755 -0.732 -2.633 1.00 85.83 17 A 1 ATOM 125 N N . ALA A 1 18 ? 8.387 -4.249 -5.616 1.00 95.09 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 8.530 -5.552 -6.273 1.00 93.10 18 A 1 ATOM 127 C C . ALA A 1 18 ? 7.613 -5.643 -7.489 1.00 90.98 18 A 1 ATOM 128 O O . ALA A 1 18 ? 6.499 -6.162 -7.378 1.00 87.50 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 8.227 -6.671 -5.289 1.00 89.13 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? 8.028 -5.192 -8.574 1.00 78.68 18 A 1 #