# 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_spkb21372 # _entry.id spkb21372 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ASP 2 1 n LEU 3 1 n TRP 4 1 n GLN 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n THR 9 1 n LEU 10 1 n ALA 11 1 n VAL 12 1 n ALA 13 1 n GLY 14 1 n SER 15 1 n GLY 16 1 n ASN 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 @ 2025-07-07 01:15:47)" _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 87.30 _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 80.43 1 1 A ASP 2 2 89.96 1 2 A LEU 3 2 94.23 1 3 A TRP 4 2 93.33 1 4 A GLN 5 2 90.77 1 5 A LEU 6 2 93.04 1 6 A LEU 7 2 92.80 1 7 A LEU 8 2 92.60 1 8 A THR 9 2 92.66 1 9 A LEU 10 2 91.12 1 10 A ALA 11 2 92.26 1 11 A VAL 12 2 92.26 1 12 A ALA 13 2 90.66 1 13 A GLY 14 2 87.08 1 14 A SER 15 2 78.97 1 15 A GLY 16 2 75.64 1 16 A ASN 17 2 66.11 1 17 A ALA 18 2 62.80 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 ASP . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ASN . 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 ? -9.962 -3.744 5.777 1.00 87.79 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.719 -2.994 5.490 1.00 89.96 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.800 -1.581 6.054 1.00 91.21 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.766 -0.865 5.800 1.00 87.01 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.476 -2.922 3.981 1.00 81.36 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.016 -2.685 3.628 1.00 74.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.689 -3.092 1.908 1.00 70.48 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.921 -2.807 1.848 1.00 61.01 1 A 1 ATOM 9 N N . ASP A 1 2 ? -7.810 -1.196 6.814 1.00 91.04 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -7.784 0.128 7.428 1.00 95.60 2 A 1 ATOM 11 C C . ASP A 1 2 ? -7.309 1.178 6.425 1.00 97.18 2 A 1 ATOM 12 O O . ASP A 1 2 ? -6.492 0.889 5.549 1.00 96.41 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -6.855 0.122 8.640 1.00 92.57 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -7.223 1.214 9.630 1.00 84.97 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -8.410 1.561 9.709 1.00 82.32 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -6.312 1.706 10.320 1.00 79.59 2 A 1 ATOM 17 N N . LEU A 1 3 ? -7.823 2.383 6.566 1.00 96.83 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -7.450 3.486 5.670 1.00 97.39 3 A 1 ATOM 19 C C . LEU A 1 3 ? -5.954 3.787 5.775 1.00 97.81 3 A 1 ATOM 20 O O . LEU A 1 3 ? -5.302 4.125 4.785 1.00 97.63 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -8.262 4.732 6.029 1.00 96.81 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -8.030 5.907 5.089 1.00 91.80 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -8.648 5.620 3.718 1.00 88.44 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -8.639 7.174 5.672 1.00 87.10 3 A 1 ATOM 25 N N . TRP A 1 4 ? -5.417 3.658 6.989 1.00 96.18 4 A 1 ATOM 26 C CA . TRP A 1 4 ? -3.996 3.924 7.227 1.00 96.41 4 A 1 ATOM 27 C C . TRP A 1 4 ? -3.117 2.948 6.458 1.00 97.18 4 A 1 ATOM 28 O O . TRP A 1 4 ? -2.066 3.320 5.936 1.00 96.90 4 A 1 ATOM 29 C CB . TRP A 1 4 ? -3.698 3.824 8.724 1.00 95.73 4 A 1 ATOM 30 C CG . TRP A 1 4 ? -2.414 4.500 9.066 1.00 94.89 4 A 1 ATOM 31 C CD1 . TRP A 1 4 ? -1.236 3.889 9.377 1.00 91.90 4 A 1 ATOM 32 C CD2 . TRP A 1 4 ? -2.163 5.917 9.113 1.00 93.08 4 A 1 ATOM 33 N NE1 . TRP A 1 4 ? -0.270 4.841 9.614 1.00 91.51 4 A 1 ATOM 34 C CE2 . TRP A 1 4 ? -0.800 6.091 9.460 1.00 92.49 4 A 1 ATOM 35 C CE3 . TRP A 1 4 ? -2.955 7.051 8.894 1.00 91.77 4 A 1 ATOM 36 C CZ2 . TRP A 1 4 ? -0.234 7.370 9.590 1.00 91.72 4 A 1 ATOM 37 C CZ3 . TRP A 1 4 ? -2.388 8.315 9.027 1.00 88.61 4 A 1 ATOM 38 C CH2 . TRP A 1 4 ? -1.041 8.468 9.371 1.00 88.26 4 A 1 ATOM 39 N N . GLN A 1 5 ? -3.559 1.692 6.364 1.00 96.11 5 A 1 ATOM 40 C CA . GLN A 1 5 ? -2.807 0.663 5.636 1.00 96.51 5 A 1 ATOM 41 C C . GLN A 1 5 ? -2.704 1.029 4.160 1.00 96.97 5 A 1 ATOM 42 O O . GLN A 1 5 ? -1.661 0.839 3.534 1.00 96.15 5 A 1 ATOM 43 C CB . GLN A 1 5 ? -3.505 -0.689 5.792 1.00 95.76 5 A 1 ATOM 44 C CG . GLN A 1 5 ? -3.309 -1.259 7.185 1.00 89.55 5 A 1 ATOM 45 C CD . GLN A 1 5 ? -3.142 -2.765 7.138 1.00 86.32 5 A 1 ATOM 46 O OE1 . GLN A 1 5 ? -3.946 -3.480 6.545 1.00 80.68 5 A 1 ATOM 47 N NE2 . GLN A 1 5 ? -2.081 -3.261 7.734 1.00 78.88 5 A 1 ATOM 48 N N . LEU A 1 6 ? -3.786 1.552 3.619 1.00 96.12 6 A 1 ATOM 49 C CA . LEU A 1 6 ? -3.812 1.965 2.215 1.00 95.82 6 A 1 ATOM 50 C C . LEU A 1 6 ? -2.834 3.116 1.979 1.00 96.17 6 A 1 ATOM 51 O O . LEU A 1 6 ? -2.117 3.144 0.977 1.00 95.63 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -5.230 2.393 1.833 1.00 95.15 6 A 1 ATOM 53 C CG . LEU A 1 6 ? -5.537 2.213 0.350 1.00 90.18 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? -5.731 0.734 0.025 1.00 88.00 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? -6.781 2.992 -0.031 1.00 87.27 6 A 1 ATOM 56 N N . LEU A 1 7 ? -2.820 4.045 2.909 1.00 95.54 7 A 1 ATOM 57 C CA . LEU A 1 7 ? -1.931 5.208 2.816 1.00 95.42 7 A 1 ATOM 58 C C . LEU A 1 7 ? -0.470 4.770 2.839 1.00 95.64 7 A 1 ATOM 59 O O . LEU A 1 7 ? 0.359 5.277 2.079 1.00 95.37 7 A 1 ATOM 60 C CB . LEU A 1 7 ? -2.225 6.167 3.972 1.00 94.73 7 A 1 ATOM 61 C CG . LEU A 1 7 ? -1.872 7.625 3.675 1.00 89.80 7 A 1 ATOM 62 C CD1 . LEU A 1 7 ? -2.731 8.564 4.518 1.00 88.38 7 A 1 ATOM 63 C CD2 . LEU A 1 7 ? -0.404 7.891 3.960 1.00 87.49 7 A 1 ATOM 64 N N . LEU A 1 8 ? -0.164 3.815 3.703 1.00 95.26 8 A 1 ATOM 65 C CA . LEU A 1 8 ? 1.201 3.296 3.830 1.00 94.78 8 A 1 ATOM 66 C C . LEU A 1 8 ? 1.629 2.587 2.548 1.00 94.79 8 A 1 ATOM 67 O O . LEU A 1 8 ? 2.758 2.746 2.084 1.00 94.03 8 A 1 ATOM 68 C CB . LEU A 1 8 ? 1.271 2.325 5.010 1.00 93.95 8 A 1 ATOM 69 C CG . LEU A 1 8 ? 2.691 2.105 5.532 1.00 89.97 8 A 1 ATOM 70 C CD1 . LEU A 1 8 ? 3.171 3.341 6.288 1.00 89.18 8 A 1 ATOM 71 C CD2 . LEU A 1 8 ? 2.738 0.884 6.437 1.00 88.85 8 A 1 ATOM 72 N N . THR A 1 9 ? 0.724 1.805 1.986 1.00 94.72 9 A 1 ATOM 73 C CA . THR A 1 9 ? 1.004 1.067 0.750 1.00 94.28 9 A 1 ATOM 74 C C . THR A 1 9 ? 1.319 2.030 -0.393 1.00 94.55 9 A 1 ATOM 75 O O . THR A 1 9 ? 2.220 1.781 -1.199 1.00 93.49 9 A 1 ATOM 76 C CB . THR A 1 9 ? -0.198 0.195 0.367 1.00 93.26 9 A 1 ATOM 77 O OG1 . THR A 1 9 ? -0.497 -0.690 1.439 1.00 90.01 9 A 1 ATOM 78 C CG2 . THR A 1 9 ? 0.110 -0.640 -0.869 1.00 88.33 9 A 1 ATOM 79 N N . LEU A 1 10 ? 0.579 3.114 -0.459 1.00 94.15 10 A 1 ATOM 80 C CA . LEU A 1 10 ? 0.784 4.118 -1.504 1.00 93.45 10 A 1 ATOM 81 C C . LEU A 1 10 ? 2.178 4.734 -1.393 1.00 92.85 10 A 1 ATOM 82 O O . LEU A 1 10 ? 2.858 4.953 -2.395 1.00 90.88 10 A 1 ATOM 83 C CB . LEU A 1 10 ? -0.290 5.209 -1.391 1.00 92.60 10 A 1 ATOM 84 C CG . LEU A 1 10 ? -1.335 5.183 -2.505 1.00 89.43 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? -0.700 5.534 -3.839 1.00 88.12 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? -1.997 3.818 -2.571 1.00 87.45 10 A 1 ATOM 87 N N . ALA A 1 11 ? 2.593 5.013 -0.163 1.00 93.91 11 A 1 ATOM 88 C CA . ALA A 1 11 ? 3.908 5.606 0.081 1.00 93.27 11 A 1 ATOM 89 C C . ALA A 1 11 ? 5.027 4.658 -0.348 1.00 92.50 11 A 1 ATOM 90 O O . ALA A 1 11 ? 6.025 5.086 -0.931 1.00 89.34 11 A 1 ATOM 91 C CB . ALA A 1 11 ? 4.049 5.951 1.561 1.00 92.27 11 A 1 ATOM 92 N N . VAL A 1 12 ? 4.861 3.374 -0.058 1.00 94.73 12 A 1 ATOM 93 C CA . VAL A 1 12 ? 5.861 2.364 -0.420 1.00 93.87 12 A 1 ATOM 94 C C . VAL A 1 12 ? 5.964 2.230 -1.935 1.00 92.78 12 A 1 ATOM 95 O O . VAL A 1 12 ? 7.062 2.090 -2.482 1.00 90.12 12 A 1 ATOM 96 C CB . VAL A 1 12 ? 5.503 1.006 0.206 1.00 92.68 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? 6.460 -0.078 -0.273 1.00 90.32 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? 5.550 1.098 1.723 1.00 91.32 12 A 1 ATOM 99 N N . ALA A 1 13 ? 4.829 2.269 -2.606 1.00 93.10 13 A 1 ATOM 100 C CA . ALA A 1 13 ? 4.794 2.151 -4.064 1.00 91.92 13 A 1 ATOM 101 C C . ALA A 1 13 ? 5.560 3.295 -4.723 1.00 91.11 13 A 1 ATOM 102 O O . ALA A 1 13 ? 6.237 3.103 -5.735 1.00 86.96 13 A 1 ATOM 103 C CB . ALA A 1 13 ? 3.346 2.137 -4.548 1.00 90.22 13 A 1 ATOM 104 N N . GLY A 1 14 ? 5.455 4.478 -4.148 1.00 89.55 14 A 1 ATOM 105 C CA . GLY A 1 14 ? 6.146 5.650 -4.681 1.00 87.70 14 A 1 ATOM 106 C C . GLY A 1 14 ? 7.634 5.629 -4.388 1.00 87.28 14 A 1 ATOM 107 O O . GLY A 1 14 ? 8.410 6.332 -5.033 1.00 83.80 14 A 1 ATOM 108 N N . SER A 1 15 ? 8.040 4.820 -3.424 1.00 84.44 15 A 1 ATOM 109 C CA . SER A 1 15 ? 9.449 4.704 -3.040 1.00 82.89 15 A 1 ATOM 110 C C . SER A 1 15 ? 10.282 4.116 -4.173 1.00 82.53 15 A 1 ATOM 111 O O . SER A 1 15 ? 11.466 4.425 -4.315 1.00 74.92 15 A 1 ATOM 112 C CB . SER A 1 15 ? 9.584 3.830 -1.792 1.00 79.19 15 A 1 ATOM 113 O OG . SER A 1 15 ? 10.877 3.936 -1.250 1.00 69.87 15 A 1 ATOM 114 N N . GLY A 1 16 ? 9.673 3.272 -4.999 1.00 79.45 16 A 1 ATOM 115 C CA . GLY A 1 16 ? 10.372 2.641 -6.116 1.00 75.51 16 A 1 ATOM 116 C C . GLY A 1 16 ? 10.958 1.303 -5.728 1.00 75.86 16 A 1 ATOM 117 O O . GLY A 1 16 ? 12.124 1.022 -6.021 1.00 71.76 16 A 1 ATOM 118 N N . ASN A 1 17 ? 10.163 0.489 -5.067 1.00 69.92 17 A 1 ATOM 119 C CA . ASN A 1 17 ? 10.606 -0.836 -4.630 1.00 70.25 17 A 1 ATOM 120 C C . ASN A 1 17 ? 10.180 -1.890 -5.649 1.00 70.54 17 A 1 ATOM 121 O O . ASN A 1 17 ? 9.093 -2.446 -5.556 1.00 64.70 17 A 1 ATOM 122 C CB . ASN A 1 17 ? 10.012 -1.155 -3.256 1.00 66.58 17 A 1 ATOM 123 C CG . ASN A 1 17 ? 10.720 -2.324 -2.602 1.00 64.04 17 A 1 ATOM 124 O OD1 . ASN A 1 17 ? 11.889 -2.570 -2.839 1.00 60.89 17 A 1 ATOM 125 N ND2 . ASN A 1 17 ? 10.000 -3.056 -1.765 1.00 61.92 17 A 1 ATOM 126 N N . ALA A 1 18 ? 11.040 -2.153 -6.635 1.00 67.60 18 A 1 ATOM 127 C CA . ALA A 1 18 ? 10.732 -3.115 -7.688 1.00 67.45 18 A 1 ATOM 128 C C . ALA A 1 18 ? 10.501 -4.515 -7.123 1.00 66.69 18 A 1 ATOM 129 O O . ALA A 1 18 ? 10.923 -4.799 -5.988 1.00 60.38 18 A 1 ATOM 130 C CB . ALA A 1 18 ? 11.858 -3.140 -8.722 1.00 59.33 18 A 1 ATOM 131 O OXT . ALA A 1 18 ? 9.885 -5.354 -7.821 1.00 55.34 18 A 1 #