# 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_spkb18545 # _entry.id spkb18545 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" # _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 ASN 2 1 n MET 3 1 n THR 4 1 n LYS 5 1 n GLY 6 1 n ALA 7 1 n LEU 8 1 n ILE 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n SER 13 1 n PHE 14 1 n LEU 15 1 n LEU 16 1 n ALA 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 09:13:53)" _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 92.58 _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 78.78 1 1 A ASN 2 2 82.95 1 2 A MET 3 2 88.38 1 3 A THR 4 2 91.67 1 4 A LYS 5 2 88.99 1 5 A GLY 6 2 96.12 1 6 A ALA 7 2 96.91 1 7 A LEU 8 2 94.85 1 8 A ILE 9 2 95.33 1 9 A LEU 10 2 94.00 1 10 A SER 11 2 96.54 1 11 A LEU 12 2 95.26 1 12 A SER 13 2 97.45 1 13 A PHE 14 2 94.98 1 14 A LEU 15 2 96.09 1 15 A LEU 16 2 95.45 1 16 A ALA 17 2 96.99 1 17 A ALA 18 2 92.26 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 ASN . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 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 ? -15.594 -5.844 5.322 1.00 84.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.468 -4.902 5.420 1.00 85.74 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.144 -4.329 4.050 1.00 86.68 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.896 -5.075 3.105 1.00 82.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.224 -5.595 5.987 1.00 79.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.055 -4.649 6.210 1.00 76.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.607 -5.449 6.921 1.00 71.25 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.213 -5.835 8.551 1.00 63.48 1 A 1 ATOM 9 N N . ASN A 1 2 ? -14.152 -3.021 3.939 1.00 82.37 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -13.856 -2.346 2.689 1.00 87.04 2 A 1 ATOM 11 C C . ASN A 1 2 ? -12.389 -2.528 2.311 1.00 89.34 2 A 1 ATOM 12 O O . ASN A 1 2 ? -11.505 -2.510 3.164 1.00 87.72 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -14.193 -0.861 2.789 1.00 83.41 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -13.515 -0.197 3.971 1.00 80.47 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -13.976 -0.295 5.096 1.00 77.40 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -12.422 0.494 3.709 1.00 75.82 2 A 1 ATOM 17 N N . MET A 1 3 ? -12.132 -2.694 1.018 1.00 92.91 3 A 1 ATOM 18 C CA . MET A 1 3 ? -10.780 -2.929 0.509 1.00 93.96 3 A 1 ATOM 19 C C . MET A 1 3 ? -9.980 -1.631 0.370 1.00 94.75 3 A 1 ATOM 20 O O . MET A 1 3 ? -8.889 -1.624 -0.194 1.00 92.49 3 A 1 ATOM 21 C CB . MET A 1 3 ? -10.853 -3.640 -0.840 1.00 91.52 3 A 1 ATOM 22 C CG . MET A 1 3 ? -11.538 -4.991 -0.766 1.00 88.09 3 A 1 ATOM 23 S SD . MET A 1 3 ? -11.660 -5.780 -2.381 1.00 80.66 3 A 1 ATOM 24 C CE . MET A 1 3 ? -12.535 -7.264 -1.943 1.00 72.69 3 A 1 ATOM 25 N N . THR A 1 4 ? -10.524 -0.542 0.887 1.00 92.76 4 A 1 ATOM 26 C CA . THR A 1 4 ? -9.880 0.767 0.785 1.00 93.77 4 A 1 ATOM 27 C C . THR A 1 4 ? -8.593 0.821 1.598 1.00 94.32 4 A 1 ATOM 28 O O . THR A 1 4 ? -7.558 1.281 1.112 1.00 93.41 4 A 1 ATOM 29 C CB . THR A 1 4 ? -10.818 1.879 1.264 1.00 93.05 4 A 1 ATOM 30 O OG1 . THR A 1 4 ? -12.091 1.740 0.639 1.00 88.74 4 A 1 ATOM 31 C CG2 . THR A 1 4 ? -10.242 3.242 0.939 1.00 85.65 4 A 1 ATOM 32 N N . LYS A 1 5 ? -8.649 0.335 2.839 1.00 94.89 5 A 1 ATOM 33 C CA . LYS A 1 5 ? -7.483 0.347 3.717 1.00 95.00 5 A 1 ATOM 34 C C . LYS A 1 5 ? -6.390 -0.574 3.195 1.00 95.48 5 A 1 ATOM 35 O O . LYS A 1 5 ? -5.211 -0.230 3.232 1.00 95.33 5 A 1 ATOM 36 C CB . LYS A 1 5 ? -7.886 -0.053 5.136 1.00 94.10 5 A 1 ATOM 37 C CG . LYS A 1 5 ? -8.789 0.973 5.797 1.00 88.83 5 A 1 ATOM 38 C CD . LYS A 1 5 ? -9.176 0.540 7.196 1.00 85.01 5 A 1 ATOM 39 C CE . LYS A 1 5 ? -10.089 1.565 7.846 1.00 80.11 5 A 1 ATOM 40 N NZ . LYS A 1 5 ? -10.539 1.121 9.192 1.00 72.19 5 A 1 ATOM 41 N N . GLY A 1 6 ? -6.790 -1.736 2.694 1.00 95.63 6 A 1 ATOM 42 C CA . GLY A 1 6 ? -5.834 -2.687 2.138 1.00 95.81 6 A 1 ATOM 43 C C . GLY A 1 6 ? -5.108 -2.120 0.936 1.00 96.69 6 A 1 ATOM 44 O O . GLY A 1 6 ? -3.894 -2.267 0.802 1.00 96.35 6 A 1 ATOM 45 N N . ALA A 1 7 ? -5.853 -1.459 0.062 1.00 96.69 7 A 1 ATOM 46 C CA . ALA A 1 7 ? -5.279 -0.846 -1.129 1.00 97.04 7 A 1 ATOM 47 C C . ALA A 1 7 ? -4.363 0.318 -0.766 1.00 97.49 7 A 1 ATOM 48 O O . ALA A 1 7 ? -3.338 0.534 -1.412 1.00 96.76 7 A 1 ATOM 49 C CB . ALA A 1 7 ? -6.392 -0.367 -2.052 1.00 96.56 7 A 1 ATOM 50 N N . LEU A 1 8 ? -4.737 1.056 0.278 1.00 96.36 8 A 1 ATOM 51 C CA . LEU A 1 8 ? -3.951 2.196 0.739 1.00 96.79 8 A 1 ATOM 52 C C . LEU A 1 8 ? -2.599 1.733 1.264 1.00 97.34 8 A 1 ATOM 53 O O . LEU A 1 8 ? -1.557 2.287 0.913 1.00 97.41 8 A 1 ATOM 54 C CB . LEU A 1 8 ? -4.723 2.955 1.820 1.00 96.85 8 A 1 ATOM 55 C CG . LEU A 1 8 ? -4.333 4.424 1.987 1.00 93.21 8 A 1 ATOM 56 C CD1 . LEU A 1 8 ? -5.373 5.142 2.830 1.00 89.63 8 A 1 ATOM 57 C CD2 . LEU A 1 8 ? -2.964 4.582 2.620 1.00 91.25 8 A 1 ATOM 58 N N . ILE A 1 9 ? -2.615 0.709 2.105 1.00 96.59 9 A 1 ATOM 59 C CA . ILE A 1 9 ? -1.385 0.158 2.670 1.00 96.61 9 A 1 ATOM 60 C C . ILE A 1 9 ? -0.520 -0.456 1.580 1.00 96.88 9 A 1 ATOM 61 O O . ILE A 1 9 ? 0.704 -0.315 1.588 1.00 96.73 9 A 1 ATOM 62 C CB . ILE A 1 9 ? -1.703 -0.891 3.750 1.00 96.68 9 A 1 ATOM 63 C CG1 . ILE A 1 9 ? -2.427 -0.235 4.937 1.00 95.32 9 A 1 ATOM 64 C CG2 . ILE A 1 9 ? -0.431 -1.585 4.223 1.00 94.33 9 A 1 ATOM 65 C CD1 . ILE A 1 9 ? -1.600 0.830 5.640 1.00 89.47 9 A 1 ATOM 66 N N . LEU A 1 10 ? -1.153 -1.140 0.647 1.00 96.26 10 A 1 ATOM 67 C CA . LEU A 1 10 ? -0.434 -1.775 -0.452 1.00 95.95 10 A 1 ATOM 68 C C . LEU A 1 10 ? 0.297 -0.744 -1.302 1.00 96.59 10 A 1 ATOM 69 O O . LEU A 1 10 ? 1.474 -0.914 -1.623 1.00 96.60 10 A 1 ATOM 70 C CB . LEU A 1 10 ? -1.407 -2.576 -1.319 1.00 95.66 10 A 1 ATOM 71 C CG . LEU A 1 10 ? -0.751 -3.372 -2.443 1.00 91.84 10 A 1 ATOM 72 C CD1 . LEU A 1 10 ? 0.146 -4.461 -1.878 1.00 88.88 10 A 1 ATOM 73 C CD2 . LEU A 1 10 ? -1.811 -3.980 -3.345 1.00 90.20 10 A 1 ATOM 74 N N . SER A 1 11 ? -0.386 0.329 -1.655 1.00 97.25 11 A 1 ATOM 75 C CA . SER A 1 11 ? 0.204 1.382 -2.476 1.00 97.44 11 A 1 ATOM 76 C C . SER A 1 11 ? 1.325 2.100 -1.738 1.00 97.97 11 A 1 ATOM 77 O O . SER A 1 11 ? 2.376 2.382 -2.314 1.00 97.65 11 A 1 ATOM 78 C CB . SER A 1 11 ? -0.867 2.385 -2.899 1.00 96.99 11 A 1 ATOM 79 O OG . SER A 1 11 ? -1.480 2.977 -1.784 1.00 91.96 11 A 1 ATOM 80 N N . LEU A 1 12 ? 1.099 2.379 -0.457 1.00 97.15 12 A 1 ATOM 81 C CA . LEU A 1 12 ? 2.099 3.053 0.364 1.00 97.28 12 A 1 ATOM 82 C C . LEU A 1 12 ? 3.334 2.183 0.550 1.00 97.89 12 A 1 ATOM 83 O O . LEU A 1 12 ? 4.465 2.661 0.441 1.00 97.97 12 A 1 ATOM 84 C CB . LEU A 1 12 ? 1.498 3.407 1.725 1.00 97.06 12 A 1 ATOM 85 C CG . LEU A 1 12 ? 2.418 4.229 2.628 1.00 92.89 12 A 1 ATOM 86 C CD1 . LEU A 1 12 ? 2.688 5.595 2.024 1.00 90.03 12 A 1 ATOM 87 C CD2 . LEU A 1 12 ? 1.801 4.377 4.010 1.00 91.83 12 A 1 ATOM 88 N N . SER A 1 13 ? 3.121 0.901 0.817 1.00 97.81 13 A 1 ATOM 89 C CA . SER A 1 13 ? 4.217 -0.043 1.013 1.00 97.98 13 A 1 ATOM 90 C C . SER A 1 13 ? 5.021 -0.223 -0.269 1.00 98.24 13 A 1 ATOM 91 O O . SER A 1 13 ? 6.246 -0.310 -0.234 1.00 97.97 13 A 1 ATOM 92 C CB . SER A 1 13 ? 3.681 -1.394 1.476 1.00 97.68 13 A 1 ATOM 93 O OG . SER A 1 13 ? 3.015 -1.265 2.715 1.00 95.02 13 A 1 ATOM 94 N N . PHE A 1 14 ? 4.331 -0.276 -1.397 1.00 97.91 14 A 1 ATOM 95 C CA . PHE A 1 14 ? 4.985 -0.437 -2.693 1.00 97.81 14 A 1 ATOM 96 C C . PHE A 1 14 ? 5.873 0.761 -3.005 1.00 98.13 14 A 1 ATOM 97 O O . PHE A 1 14 ? 7.011 0.604 -3.452 1.00 97.74 14 A 1 ATOM 98 C CB . PHE A 1 14 ? 3.938 -0.616 -3.787 1.00 97.34 14 A 1 ATOM 99 C CG . PHE A 1 14 ? 4.533 -0.978 -5.117 1.00 95.39 14 A 1 ATOM 100 C CD1 . PHE A 1 14 ? 4.885 -2.289 -5.398 1.00 92.16 14 A 1 ATOM 101 C CD2 . PHE A 1 14 ? 4.742 -0.003 -6.081 1.00 92.73 14 A 1 ATOM 102 C CE1 . PHE A 1 14 ? 5.438 -2.628 -6.623 1.00 92.05 14 A 1 ATOM 103 C CE2 . PHE A 1 14 ? 5.303 -0.336 -7.311 1.00 91.57 14 A 1 ATOM 104 C CZ . PHE A 1 14 ? 5.650 -1.651 -7.580 1.00 91.91 14 A 1 ATOM 105 N N . LEU A 1 15 ? 5.357 1.952 -2.753 1.00 97.86 15 A 1 ATOM 106 C CA . LEU A 1 15 ? 6.116 3.176 -2.990 1.00 97.88 15 A 1 ATOM 107 C C . LEU A 1 15 ? 7.322 3.270 -2.060 1.00 98.19 15 A 1 ATOM 108 O O . LEU A 1 15 ? 8.394 3.726 -2.462 1.00 98.07 15 A 1 ATOM 109 C CB . LEU A 1 15 ? 5.215 4.396 -2.789 1.00 97.69 15 A 1 ATOM 110 C CG . LEU A 1 15 ? 4.182 4.601 -3.894 1.00 94.80 15 A 1 ATOM 111 C CD1 . LEU A 1 15 ? 3.147 5.631 -3.468 1.00 91.95 15 A 1 ATOM 112 C CD2 . LEU A 1 15 ? 4.862 5.047 -5.182 1.00 92.32 15 A 1 ATOM 113 N N . LEU A 1 16 ? 7.147 2.843 -0.822 1.00 97.58 16 A 1 ATOM 114 C CA . LEU A 1 16 ? 8.222 2.867 0.166 1.00 97.48 16 A 1 ATOM 115 C C . LEU A 1 16 ? 9.279 1.811 -0.136 1.00 97.81 16 A 1 ATOM 116 O O . LEU A 1 16 ? 10.472 2.034 0.085 1.00 97.67 16 A 1 ATOM 117 C CB . LEU A 1 16 ? 7.643 2.645 1.565 1.00 96.97 16 A 1 ATOM 118 C CG . LEU A 1 16 ? 8.651 2.792 2.704 1.00 93.96 16 A 1 ATOM 119 C CD1 . LEU A 1 16 ? 9.175 4.216 2.783 1.00 91.06 16 A 1 ATOM 120 C CD2 . LEU A 1 16 ? 8.015 2.390 4.022 1.00 91.07 16 A 1 ATOM 121 N N . ALA A 1 17 ? 8.847 0.667 -0.646 1.00 97.33 17 A 1 ATOM 122 C CA . ALA A 1 17 ? 9.747 -0.439 -0.971 1.00 97.15 17 A 1 ATOM 123 C C . ALA A 1 17 ? 10.440 -0.243 -2.317 1.00 97.63 17 A 1 ATOM 124 O O . ALA A 1 17 ? 11.375 -0.974 -2.646 1.00 96.92 17 A 1 ATOM 125 C CB . ALA A 1 17 ? 8.977 -1.763 -0.968 1.00 95.90 17 A 1 ATOM 126 N N . ALA A 1 18 ? 9.995 0.737 -3.097 1.00 96.22 18 A 1 ATOM 127 C CA . ALA A 1 18 ? 10.549 0.994 -4.418 1.00 95.21 18 A 1 ATOM 128 C C . ALA A 1 18 ? 11.986 1.508 -4.328 1.00 93.97 18 A 1 ATOM 129 O O . ALA A 1 18 ? 12.323 2.199 -3.354 1.00 91.44 18 A 1 ATOM 130 C CB . ALA A 1 18 ? 9.675 1.980 -5.186 1.00 92.11 18 A 1 ATOM 131 O OXT . ALA A 1 18 ? 12.779 1.214 -5.226 1.00 84.60 18 A 1 #