# 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_spkb14839 # _entry.id spkb14839 # 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" "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 ARG 2 1 n LEU 3 1 n LEU 4 1 n ALA 5 1 n GLY 6 1 n TRP 7 1 n LEU 8 1 n CYS 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n ALA 13 1 n SER 14 1 n VAL 15 1 n TRP 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 @ 2025-07-04 12:08:58)" _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 93.08 _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 86.35 1 1 A ARG 2 2 82.56 1 2 A LEU 3 2 92.24 1 3 A LEU 4 2 92.91 1 4 A ALA 5 2 96.30 1 5 A GLY 6 2 97.68 1 6 A TRP 7 2 92.59 1 7 A LEU 8 2 94.99 1 8 A CYS 9 2 96.60 1 9 A LEU 10 2 95.32 1 10 A SER 11 2 96.44 1 11 A LEU 12 2 95.10 1 12 A ALA 13 2 97.48 1 13 A SER 14 2 96.60 1 14 A VAL 15 2 96.50 1 15 A TRP 16 2 93.80 1 16 A LEU 17 2 93.16 1 17 A ALA 18 2 90.01 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 LEU . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n CYS . 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 ALA . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n TRP . 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 ? -14.736 -1.668 0.483 1.00 92.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.602 -0.734 0.654 1.00 92.60 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.285 -1.466 0.939 1.00 93.92 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.393 -0.916 1.564 1.00 90.93 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.905 0.216 1.806 1.00 89.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.120 1.076 1.527 1.00 83.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.388 2.274 2.839 1.00 79.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.795 1.550 3.642 1.00 68.62 1 A 1 ATOM 9 N N . ARG A 1 2 ? -12.177 -2.701 0.496 1.00 89.88 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -10.959 -3.489 0.754 1.00 92.62 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.897 -3.246 -0.310 1.00 95.16 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.706 -3.280 -0.017 1.00 93.12 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.318 -4.975 0.807 1.00 89.23 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -12.054 -5.290 2.099 1.00 83.18 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -12.056 -6.782 2.348 1.00 81.86 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -12.515 -7.067 3.700 1.00 75.94 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -12.504 -8.274 4.238 1.00 74.32 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -12.104 -9.328 3.551 1.00 66.03 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -12.899 -8.428 5.480 1.00 66.82 2 A 1 ATOM 20 N N . LEU A 1 3 ? -10.303 -2.967 -1.529 1.00 93.10 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -9.359 -2.718 -2.625 1.00 94.69 3 A 1 ATOM 22 C C . LEU A 1 3 ? -8.594 -1.413 -2.401 1.00 96.45 3 A 1 ATOM 23 O O . LEU A 1 3 ? -7.395 -1.337 -2.663 1.00 95.40 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -10.134 -2.670 -3.942 1.00 93.78 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -10.616 -4.053 -4.375 1.00 91.74 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -11.752 -3.917 -5.384 1.00 87.35 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -9.466 -4.833 -5.012 1.00 85.41 3 A 1 ATOM 28 N N . LEU A 1 4 ? -9.274 -0.393 -1.896 1.00 93.97 4 A 1 ATOM 29 C CA . LEU A 1 4 ? -8.634 0.899 -1.623 1.00 94.93 4 A 1 ATOM 30 C C . LEU A 1 4 ? -7.606 0.777 -0.500 1.00 96.30 4 A 1 ATOM 31 O O . LEU A 1 4 ? -6.521 1.345 -0.586 1.00 96.12 4 A 1 ATOM 32 C CB . LEU A 1 4 ? -9.715 1.920 -1.249 1.00 94.84 4 A 1 ATOM 33 C CG . LEU A 1 4 ? -10.271 2.648 -2.469 1.00 92.21 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? -11.595 3.313 -2.128 1.00 87.54 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? -9.280 3.705 -2.940 1.00 87.39 4 A 1 ATOM 36 N N . ALA A 1 5 ? -7.940 0.047 0.544 1.00 96.11 5 A 1 ATOM 37 C CA . ALA A 1 5 ? -7.032 -0.143 1.679 1.00 96.55 5 A 1 ATOM 38 C C . ALA A 1 5 ? -5.759 -0.871 1.241 1.00 97.00 5 A 1 ATOM 39 O O . ALA A 1 5 ? -4.659 -0.517 1.658 1.00 96.28 5 A 1 ATOM 40 C CB . ALA A 1 5 ? -7.756 -0.919 2.770 1.00 95.57 5 A 1 ATOM 41 N N . GLY A 1 6 ? -5.907 -1.878 0.406 1.00 97.62 6 A 1 ATOM 42 C CA . GLY A 1 6 ? -4.757 -2.630 -0.102 1.00 97.55 6 A 1 ATOM 43 C C . GLY A 1 6 ? -3.873 -1.783 -1.005 1.00 97.91 6 A 1 ATOM 44 O O . GLY A 1 6 ? -2.647 -1.847 -0.927 1.00 97.62 6 A 1 ATOM 45 N N . TRP A 1 7 ? -4.500 -0.962 -1.860 1.00 96.67 7 A 1 ATOM 46 C CA . TRP A 1 7 ? -3.763 -0.092 -2.778 1.00 96.69 7 A 1 ATOM 47 C C . TRP A 1 7 ? -2.979 0.975 -2.021 1.00 97.25 7 A 1 ATOM 48 O O . TRP A 1 7 ? -1.825 1.250 -2.341 1.00 96.97 7 A 1 ATOM 49 C CB . TRP A 1 7 ? -4.740 0.554 -3.757 1.00 96.40 7 A 1 ATOM 50 C CG . TRP A 1 7 ? -4.502 0.057 -5.141 1.00 93.97 7 A 1 ATOM 51 C CD1 . TRP A 1 7 ? -5.257 -0.850 -5.808 1.00 89.83 7 A 1 ATOM 52 C CD2 . TRP A 1 7 ? -3.426 0.442 -6.035 1.00 92.80 7 A 1 ATOM 53 N NE1 . TRP A 1 7 ? -4.717 -1.057 -7.067 1.00 88.79 7 A 1 ATOM 54 C CE2 . TRP A 1 7 ? -3.594 -0.279 -7.232 1.00 92.10 7 A 1 ATOM 55 C CE3 . TRP A 1 7 ? -2.351 1.324 -5.934 1.00 89.92 7 A 1 ATOM 56 C CZ2 . TRP A 1 7 ? -2.712 -0.133 -8.314 1.00 90.66 7 A 1 ATOM 57 C CZ3 . TRP A 1 7 ? -1.474 1.472 -7.012 1.00 86.64 7 A 1 ATOM 58 C CH2 . TRP A 1 7 ? -1.661 0.744 -8.183 1.00 87.55 7 A 1 ATOM 59 N N . LEU A 1 8 ? -3.587 1.558 -1.000 1.00 97.00 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -2.920 2.583 -0.191 1.00 96.99 8 A 1 ATOM 61 C C . LEU A 1 8 ? -1.693 2.008 0.514 1.00 97.36 8 A 1 ATOM 62 O O . LEU A 1 8 ? -0.633 2.631 0.529 1.00 97.17 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -3.919 3.132 0.831 1.00 96.98 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -4.762 4.270 0.253 1.00 94.23 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -6.062 4.418 1.031 1.00 89.95 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -3.979 5.576 0.317 1.00 90.26 8 A 1 ATOM 67 N N . CYS A 1 9 ? -1.818 0.830 1.081 1.00 97.68 9 A 1 ATOM 68 C CA . CYS A 1 9 ? -0.702 0.174 1.763 1.00 97.67 9 A 1 ATOM 69 C C . CYS A 1 9 ? 0.407 -0.191 0.772 1.00 97.73 9 A 1 ATOM 70 O O . CYS A 1 9 ? 1.584 -0.018 1.067 1.00 97.21 9 A 1 ATOM 71 C CB . CYS A 1 9 ? -1.213 -1.077 2.471 1.00 97.26 9 A 1 ATOM 72 S SG . CYS A 1 9 ? -1.992 -0.662 4.057 1.00 92.03 9 A 1 ATOM 73 N N . LEU A 1 10 ? 0.028 -0.674 -0.397 1.00 97.44 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 0.997 -1.051 -1.428 1.00 97.26 10 A 1 ATOM 75 C C . LEU A 1 10 ? 1.756 0.167 -1.940 1.00 97.57 10 A 1 ATOM 76 O O . LEU A 1 10 ? 2.976 0.114 -2.112 1.00 97.28 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 0.249 -1.734 -2.573 1.00 97.15 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 0.314 -3.253 -2.471 1.00 94.15 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -0.899 -3.888 -3.139 1.00 90.59 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 1.588 -3.756 -3.135 1.00 91.10 10 A 1 ATOM 81 N N . SER A 1 11 ? 1.059 1.264 -2.163 1.00 97.80 11 A 1 ATOM 82 C CA . SER A 1 11 ? 1.677 2.496 -2.652 1.00 97.74 11 A 1 ATOM 83 C C . SER A 1 11 ? 2.672 3.045 -1.632 1.00 97.93 11 A 1 ATOM 84 O O . SER A 1 11 ? 3.784 3.430 -1.986 1.00 97.47 11 A 1 ATOM 85 C CB . SER A 1 11 ? 0.592 3.526 -2.949 1.00 97.26 11 A 1 ATOM 86 O OG . SER A 1 11 ? 1.092 4.493 -3.838 1.00 90.46 11 A 1 ATOM 87 N N . LEU A 1 12 ? 2.288 3.059 -0.367 1.00 97.60 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 3.170 3.543 0.701 1.00 97.40 12 A 1 ATOM 89 C C . LEU A 1 12 ? 4.400 2.652 0.836 1.00 97.65 12 A 1 ATOM 90 O O . LEU A 1 12 ? 5.524 3.148 0.939 1.00 97.28 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 2.382 3.575 2.012 1.00 97.08 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 1.776 4.953 2.274 1.00 93.26 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 0.513 4.832 3.113 1.00 90.24 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 2.797 5.826 2.991 1.00 90.33 12 A 1 ATOM 95 N N . ALA A 1 13 ? 4.205 1.352 0.818 1.00 97.78 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 5.317 0.404 0.928 1.00 97.53 13 A 1 ATOM 97 C C . ALA A 1 13 ? 6.288 0.562 -0.246 1.00 97.84 13 A 1 ATOM 98 O O . ALA A 1 13 ? 7.499 0.452 -0.068 1.00 97.23 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 4.757 -1.014 0.975 1.00 97.02 13 A 1 ATOM 100 N N . SER A 1 14 ? 5.780 0.845 -1.428 1.00 98.04 14 A 1 ATOM 101 C CA . SER A 1 14 ? 6.603 1.033 -2.624 1.00 98.05 14 A 1 ATOM 102 C C . SER A 1 14 ? 7.483 2.272 -2.503 1.00 98.20 14 A 1 ATOM 103 O O . SER A 1 14 ? 8.617 2.281 -2.988 1.00 97.56 14 A 1 ATOM 104 C CB . SER A 1 14 ? 5.701 1.151 -3.845 1.00 97.51 14 A 1 ATOM 105 O OG . SER A 1 14 ? 6.477 1.211 -5.013 1.00 90.26 14 A 1 ATOM 106 N N . VAL A 1 15 ? 6.995 3.315 -1.854 1.00 97.93 15 A 1 ATOM 107 C CA . VAL A 1 15 ? 7.760 4.556 -1.677 1.00 97.69 15 A 1 ATOM 108 C C . VAL A 1 15 ? 8.961 4.327 -0.758 1.00 97.93 15 A 1 ATOM 109 O O . VAL A 1 15 ? 10.056 4.822 -1.029 1.00 97.35 15 A 1 ATOM 110 C CB . VAL A 1 15 ? 6.853 5.664 -1.114 1.00 96.93 15 A 1 ATOM 111 C CG1 . VAL A 1 15 ? 7.651 6.930 -0.835 1.00 93.94 15 A 1 ATOM 112 C CG2 . VAL A 1 15 ? 5.750 5.994 -2.109 1.00 93.75 15 A 1 ATOM 113 N N . TRP A 1 16 ? 8.765 3.593 0.327 1.00 96.90 16 A 1 ATOM 114 C CA . TRP A 1 16 ? 9.851 3.334 1.292 1.00 96.59 16 A 1 ATOM 115 C C . TRP A 1 16 ? 10.704 2.150 0.861 1.00 97.18 16 A 1 ATOM 116 O O . TRP A 1 16 ? 11.919 2.161 1.049 1.00 96.74 16 A 1 ATOM 117 C CB . TRP A 1 16 ? 9.249 3.083 2.680 1.00 96.06 16 A 1 ATOM 118 C CG . TRP A 1 16 ? 8.203 4.098 3.031 1.00 94.17 16 A 1 ATOM 119 C CD1 . TRP A 1 16 ? 6.968 3.836 3.528 1.00 91.78 16 A 1 ATOM 120 C CD2 . TRP A 1 16 ? 8.289 5.534 2.893 1.00 94.12 16 A 1 ATOM 121 N NE1 . TRP A 1 16 ? 6.287 5.015 3.712 1.00 91.56 16 A 1 ATOM 122 C CE2 . TRP A 1 16 ? 7.064 6.080 3.326 1.00 93.62 16 A 1 ATOM 123 C CE3 . TRP A 1 16 ? 9.287 6.418 2.445 1.00 92.74 16 A 1 ATOM 124 C CZ2 . TRP A 1 16 ? 6.823 7.459 3.314 1.00 92.31 16 A 1 ATOM 125 C CZ3 . TRP A 1 16 ? 9.043 7.786 2.432 1.00 89.59 16 A 1 ATOM 126 C CH2 . TRP A 1 16 ? 7.823 8.297 2.862 1.00 89.90 16 A 1 ATOM 127 N N . LEU A 1 17 ? 10.090 1.135 0.280 1.00 95.95 17 A 1 ATOM 128 C CA . LEU A 1 17 ? 10.786 -0.074 -0.171 1.00 96.06 17 A 1 ATOM 129 C C . LEU A 1 17 ? 10.951 -0.062 -1.693 1.00 96.65 17 A 1 ATOM 130 O O . LEU A 1 17 ? 10.903 -1.105 -2.338 1.00 95.45 17 A 1 ATOM 131 C CB . LEU A 1 17 ? 9.994 -1.305 0.294 1.00 95.23 17 A 1 ATOM 132 C CG . LEU A 1 17 ? 9.988 -1.485 1.815 1.00 92.59 17 A 1 ATOM 133 C CD1 . LEU A 1 17 ? 8.785 -2.308 2.248 1.00 87.64 17 A 1 ATOM 134 C CD2 . LEU A 1 17 ? 11.276 -2.184 2.253 1.00 85.73 17 A 1 ATOM 135 N N . ALA A 1 18 ? 11.153 1.131 -2.254 1.00 94.91 18 A 1 ATOM 136 C CA . ALA A 1 18 ? 11.284 1.297 -3.702 1.00 93.57 18 A 1 ATOM 137 C C . ALA A 1 18 ? 12.478 0.510 -4.238 1.00 92.00 18 A 1 ATOM 138 O O . ALA A 1 18 ? 13.625 0.865 -3.929 1.00 88.52 18 A 1 ATOM 139 C CB . ALA A 1 18 ? 11.425 2.769 -4.042 1.00 90.02 18 A 1 ATOM 140 O OXT . ALA A 1 18 ? 12.270 -0.451 -4.991 1.00 81.07 18 A 1 #