# 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_spkb21317 # _entry.id spkb21317 # 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" "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" "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" "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 SER 2 1 n ARG 3 1 n LEU 4 1 n ILE 5 1 n ILE 6 1 n VAL 7 1 n PHE 8 1 n ILE 9 1 n VAL 10 1 n VAL 11 1 n THR 12 1 n MET 13 1 n ILE 14 1 n CYS 15 1 n ALA 16 1 n ALA 17 1 n THR 18 1 n ALA 19 # _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 @ 2025-07-08 04:43:09)" _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 93.87 _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 82.52 1 1 A SER 2 2 90.44 1 2 A ARG 3 2 84.80 1 3 A LEU 4 2 94.15 1 4 A ILE 5 2 96.27 1 5 A ILE 6 2 96.81 1 6 A VAL 7 2 97.72 1 7 A PHE 8 2 95.88 1 8 A ILE 9 2 97.17 1 9 A VAL 10 2 97.76 1 10 A VAL 11 2 97.25 1 11 A THR 12 2 96.43 1 12 A MET 13 2 93.31 1 13 A ILE 14 2 96.46 1 14 A CYS 15 2 97.08 1 15 A ALA 16 2 98.11 1 16 A ALA 17 2 97.85 1 17 A THR 18 2 92.21 1 18 A ALA 19 2 86.79 1 19 # _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 SER . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -14.668 -1.269 7.721 1.00 89.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.678 -1.488 6.660 1.00 90.44 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.483 -0.546 6.821 1.00 91.66 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.300 0.379 6.024 1.00 88.70 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.315 -1.286 5.287 1.00 85.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.089 0.023 5.159 1.00 76.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.893 0.166 3.560 1.00 74.00 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.754 1.717 3.770 1.00 64.51 1 A 1 ATOM 9 N N . SER A 1 2 ? -11.690 -0.782 7.857 1.00 92.82 2 A 1 ATOM 10 C CA . SER A 1 2 ? -10.532 0.059 8.134 1.00 94.49 2 A 1 ATOM 11 C C . SER A 1 2 ? -9.218 -0.679 7.866 1.00 95.35 2 A 1 ATOM 12 O O . SER A 1 2 ? -8.163 -0.065 7.756 1.00 92.38 2 A 1 ATOM 13 C CB . SER A 1 2 ? -10.576 0.555 9.577 1.00 90.30 2 A 1 ATOM 14 O OG . SER A 1 2 ? -11.774 1.276 9.826 1.00 77.30 2 A 1 ATOM 15 N N . ARG A 1 3 ? -9.294 -2.012 7.752 1.00 94.41 3 A 1 ATOM 16 C CA . ARG A 1 3 ? -8.104 -2.825 7.516 1.00 96.18 3 A 1 ATOM 17 C C . ARG A 1 3 ? -7.542 -2.588 6.120 1.00 97.37 3 A 1 ATOM 18 O O . ARG A 1 3 ? -6.333 -2.660 5.912 1.00 95.86 3 A 1 ATOM 19 C CB . ARG A 1 3 ? -8.406 -4.314 7.697 1.00 94.12 3 A 1 ATOM 20 C CG . ARG A 1 3 ? -8.439 -4.760 9.155 1.00 87.19 3 A 1 ATOM 21 C CD . ARG A 1 3 ? -9.723 -4.322 9.850 1.00 84.03 3 A 1 ATOM 22 N NE . ARG A 1 3 ? -9.794 -4.804 11.229 1.00 76.73 3 A 1 ATOM 23 C CZ . ARG A 1 3 ? -10.817 -4.583 12.037 1.00 74.03 3 A 1 ATOM 24 N NH1 . ARG A 1 3 ? -11.862 -3.895 11.624 1.00 66.94 3 A 1 ATOM 25 N NH2 . ARG A 1 3 ? -10.798 -5.065 13.268 1.00 65.96 3 A 1 ATOM 26 N N . LEU A 1 4 ? -8.414 -2.310 5.169 1.00 96.98 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -7.998 -2.081 3.790 1.00 97.50 4 A 1 ATOM 28 C C . LEU A 1 4 ? -7.087 -0.861 3.681 1.00 97.97 4 A 1 ATOM 29 O O . LEU A 1 4 ? -6.175 -0.826 2.855 1.00 97.63 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -9.227 -1.886 2.900 1.00 97.21 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -10.131 -3.111 2.794 1.00 90.98 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -11.377 -2.787 1.987 1.00 87.62 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -9.380 -4.272 2.158 1.00 87.33 4 A 1 ATOM 34 N N . ILE A 1 5 ? -7.328 0.137 4.520 1.00 98.12 5 A 1 ATOM 35 C CA . ILE A 1 5 ? -6.530 1.358 4.528 1.00 98.17 5 A 1 ATOM 36 C C . ILE A 1 5 ? -5.089 1.042 4.927 1.00 98.31 5 A 1 ATOM 37 O O . ILE A 1 5 ? -4.139 1.543 4.322 1.00 97.99 5 A 1 ATOM 38 C CB . ILE A 1 5 ? -7.126 2.402 5.485 1.00 97.95 5 A 1 ATOM 39 C CG1 . ILE A 1 5 ? -8.544 2.781 5.044 1.00 95.54 5 A 1 ATOM 40 C CG2 . ILE A 1 5 ? -6.233 3.642 5.532 1.00 95.15 5 A 1 ATOM 41 C CD1 . ILE A 1 5 ? -9.277 3.637 6.061 1.00 88.92 5 A 1 ATOM 42 N N . ILE A 1 6 ? -4.929 0.210 5.947 1.00 98.18 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -3.607 -0.168 6.434 1.00 98.21 6 A 1 ATOM 44 C C . ILE A 1 6 ? -2.835 -0.904 5.344 1.00 98.33 6 A 1 ATOM 45 O O . ILE A 1 6 ? -1.655 -0.635 5.110 1.00 98.07 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -3.715 -1.046 7.689 1.00 98.00 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -4.413 -0.278 8.816 1.00 96.18 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -2.327 -1.502 8.133 1.00 96.11 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -4.768 -1.152 10.002 1.00 91.39 6 A 1 ATOM 50 N N . VAL A 1 7 ? -3.503 -1.826 4.682 1.00 98.27 7 A 1 ATOM 51 C CA . VAL A 1 7 ? -2.882 -2.595 3.606 1.00 98.32 7 A 1 ATOM 52 C C . VAL A 1 7 ? -2.434 -1.673 2.478 1.00 98.42 7 A 1 ATOM 53 O O . VAL A 1 7 ? -1.337 -1.820 1.935 1.00 98.16 7 A 1 ATOM 54 C CB . VAL A 1 7 ? -3.856 -3.651 3.061 1.00 98.05 7 A 1 ATOM 55 C CG1 . VAL A 1 7 ? -3.242 -4.387 1.876 1.00 96.49 7 A 1 ATOM 56 C CG2 . VAL A 1 7 ? -4.236 -4.631 4.153 1.00 96.31 7 A 1 ATOM 57 N N . PHE A 1 8 ? -3.270 -0.716 2.138 1.00 97.97 8 A 1 ATOM 58 C CA . PHE A 1 8 ? -2.959 0.233 1.077 1.00 98.09 8 A 1 ATOM 59 C C . PHE A 1 8 ? -1.704 1.034 1.401 1.00 98.19 8 A 1 ATOM 60 O O . PHE A 1 8 ? -0.843 1.240 0.541 1.00 97.94 8 A 1 ATOM 61 C CB . PHE A 1 8 ? -4.141 1.176 0.867 1.00 97.93 8 A 1 ATOM 62 C CG . PHE A 1 8 ? -3.887 2.196 -0.209 1.00 96.47 8 A 1 ATOM 63 C CD1 . PHE A 1 8 ? -3.969 1.845 -1.547 1.00 94.14 8 A 1 ATOM 64 C CD2 . PHE A 1 8 ? -3.560 3.499 0.127 1.00 94.14 8 A 1 ATOM 65 C CE1 . PHE A 1 8 ? -3.726 2.780 -2.536 1.00 93.14 8 A 1 ATOM 66 C CE2 . PHE A 1 8 ? -3.311 4.440 -0.863 1.00 93.09 8 A 1 ATOM 67 C CZ . PHE A 1 8 ? -3.395 4.081 -2.194 1.00 93.54 8 A 1 ATOM 68 N N . ILE A 1 9 ? -1.595 1.488 2.646 1.00 98.29 9 A 1 ATOM 69 C CA . ILE A 1 9 ? -0.447 2.272 3.087 1.00 98.31 9 A 1 ATOM 70 C C . ILE A 1 9 ? 0.832 1.443 3.007 1.00 98.38 9 A 1 ATOM 71 O O . ILE A 1 9 ? 1.865 1.918 2.527 1.00 98.12 9 A 1 ATOM 72 C CB . ILE A 1 9 ? -0.652 2.788 4.523 1.00 98.23 9 A 1 ATOM 73 C CG1 . ILE A 1 9 ? -1.827 3.771 4.573 1.00 96.91 9 A 1 ATOM 74 C CG2 . ILE A 1 9 ? 0.622 3.470 5.033 1.00 96.56 9 A 1 ATOM 75 C CD1 . ILE A 1 9 ? -2.267 4.108 5.988 1.00 92.57 9 A 1 ATOM 76 N N . VAL A 1 10 ? 0.763 0.202 3.473 1.00 98.39 10 A 1 ATOM 77 C CA . VAL A 1 10 ? 1.922 -0.685 3.460 1.00 98.36 10 A 1 ATOM 78 C C . VAL A 1 10 ? 2.389 -0.941 2.032 1.00 98.41 10 A 1 ATOM 79 O O . VAL A 1 10 ? 3.582 -0.855 1.731 1.00 98.08 10 A 1 ATOM 80 C CB . VAL A 1 10 ? 1.599 -2.019 4.157 1.00 98.06 10 A 1 ATOM 81 C CG1 . VAL A 1 10 ? 2.758 -2.999 4.017 1.00 96.48 10 A 1 ATOM 82 C CG2 . VAL A 1 10 ? 1.293 -1.784 5.625 1.00 96.55 10 A 1 ATOM 83 N N . VAL A 1 11 ? 1.460 -1.250 1.153 1.00 98.13 11 A 1 ATOM 84 C CA . VAL A 1 11 ? 1.786 -1.516 -0.246 1.00 98.03 11 A 1 ATOM 85 C C . VAL A 1 11 ? 2.416 -0.292 -0.896 1.00 98.11 11 A 1 ATOM 86 O O . VAL A 1 11 ? 3.380 -0.404 -1.657 1.00 97.63 11 A 1 ATOM 87 C CB . VAL A 1 11 ? 0.531 -1.932 -1.028 1.00 97.54 11 A 1 ATOM 88 C CG1 . VAL A 1 11 ? 0.834 -2.060 -2.513 1.00 95.56 11 A 1 ATOM 89 C CG2 . VAL A 1 11 ? -0.005 -3.247 -0.493 1.00 95.76 11 A 1 ATOM 90 N N . THR A 1 12 ? 1.885 0.874 -0.585 1.00 98.11 12 A 1 ATOM 91 C CA . THR A 1 12 ? 2.397 2.118 -1.143 1.00 98.09 12 A 1 ATOM 92 C C . THR A 1 12 ? 3.846 2.345 -0.721 1.00 98.23 12 A 1 ATOM 93 O O . THR A 1 12 ? 4.685 2.738 -1.532 1.00 97.72 12 A 1 ATOM 94 C CB . THR A 1 12 ? 1.545 3.306 -0.694 1.00 97.56 12 A 1 ATOM 95 O OG1 . THR A 1 12 ? 0.191 3.111 -1.100 1.00 93.41 12 A 1 ATOM 96 C CG2 . THR A 1 12 ? 2.064 4.598 -1.305 1.00 91.92 12 A 1 ATOM 97 N N . MET A 1 13 ? 4.149 2.095 0.559 1.00 97.70 13 A 1 ATOM 98 C CA . MET A 1 13 ? 5.498 2.282 1.077 1.00 97.73 13 A 1 ATOM 99 C C . MET A 1 13 ? 6.472 1.310 0.425 1.00 97.99 13 A 1 ATOM 100 O O . MET A 1 13 ? 7.607 1.668 0.126 1.00 97.22 13 A 1 ATOM 101 C CB . MET A 1 13 ? 5.516 2.103 2.591 1.00 97.27 13 A 1 ATOM 102 C CG . MET A 1 13 ? 4.859 3.252 3.326 1.00 93.17 13 A 1 ATOM 103 S SD . MET A 1 13 ? 5.146 3.212 5.102 1.00 87.80 13 A 1 ATOM 104 C CE . MET A 1 13 ? 4.261 1.726 5.537 1.00 77.62 13 A 1 ATOM 105 N N . ILE A 1 14 ? 6.028 0.078 0.200 1.00 98.20 14 A 1 ATOM 106 C CA . ILE A 1 14 ? 6.866 -0.933 -0.426 1.00 98.10 14 A 1 ATOM 107 C C . ILE A 1 14 ? 7.202 -0.532 -1.857 1.00 98.21 14 A 1 ATOM 108 O O . ILE A 1 14 ? 8.350 -0.647 -2.296 1.00 97.83 14 A 1 ATOM 109 C CB . ILE A 1 14 ? 6.174 -2.305 -0.413 1.00 97.71 14 A 1 ATOM 110 C CG1 . ILE A 1 14 ? 6.000 -2.802 1.024 1.00 95.80 14 A 1 ATOM 111 C CG2 . ILE A 1 14 ? 6.993 -3.314 -1.219 1.00 95.50 14 A 1 ATOM 112 C CD1 . ILE A 1 14 ? 5.081 -4.002 1.133 1.00 90.34 14 A 1 ATOM 113 N N . CYS A 1 15 ? 6.206 -0.053 -2.581 1.00 98.27 15 A 1 ATOM 114 C CA . CYS A 1 15 ? 6.402 0.373 -3.958 1.00 98.21 15 A 1 ATOM 115 C C . CYS A 1 15 ? 7.353 1.564 -4.038 1.00 98.24 15 A 1 ATOM 116 O O . CYS A 1 15 ? 8.139 1.682 -4.973 1.00 97.57 15 A 1 ATOM 117 C CB . CYS A 1 15 ? 5.060 0.736 -4.590 1.00 97.67 15 A 1 ATOM 118 S SG . CYS A 1 15 ? 3.979 -0.686 -4.821 1.00 92.52 15 A 1 ATOM 119 N N . ALA A 1 16 ? 7.265 2.452 -3.050 1.00 98.38 16 A 1 ATOM 120 C CA . ALA A 1 16 ? 8.119 3.633 -3.009 1.00 98.27 16 A 1 ATOM 121 C C . ALA A 1 16 ? 9.537 3.283 -2.568 1.00 98.32 16 A 1 ATOM 122 O O . ALA A 1 16 ? 10.503 3.908 -3.007 1.00 97.75 16 A 1 ATOM 123 C CB . ALA A 1 16 ? 7.526 4.671 -2.063 1.00 97.81 16 A 1 ATOM 124 N N . ALA A 1 17 ? 9.654 2.288 -1.688 1.00 98.28 17 A 1 ATOM 125 C CA . ALA A 1 17 ? 10.951 1.869 -1.173 1.00 98.10 17 A 1 ATOM 126 C C . ALA A 1 17 ? 11.790 1.210 -2.257 1.00 98.12 17 A 1 ATOM 127 O O . ALA A 1 17 ? 12.996 1.440 -2.351 1.00 97.19 17 A 1 ATOM 128 C CB . ALA A 1 17 ? 10.767 0.921 0.002 1.00 97.57 17 A 1 ATOM 129 N N . THR A 1 18 ? 11.162 0.390 -3.084 1.00 97.08 18 A 1 ATOM 130 C CA . THR A 1 18 ? 11.857 -0.288 -4.171 1.00 96.23 18 A 1 ATOM 131 C C . THR A 1 18 ? 11.869 0.578 -5.425 1.00 95.24 18 A 1 ATOM 132 O O . THR A 1 18 ? 10.818 0.951 -5.950 1.00 90.51 18 A 1 ATOM 133 C CB . THR A 1 18 ? 11.214 -1.646 -4.473 1.00 94.41 18 A 1 ATOM 134 O OG1 . THR A 1 18 ? 11.959 -2.298 -5.506 1.00 87.14 18 A 1 ATOM 135 C CG2 . THR A 1 18 ? 9.774 -1.513 -4.910 1.00 84.89 18 A 1 ATOM 136 N N . ALA A 1 19 ? 13.084 0.893 -5.892 1.00 94.47 19 A 1 ATOM 137 C CA . ALA A 1 19 ? 13.232 1.736 -7.071 1.00 91.86 19 A 1 ATOM 138 C C . ALA A 1 19 ? 14.511 1.378 -7.825 1.00 88.81 19 A 1 ATOM 139 O O . ALA A 1 19 ? 14.466 1.251 -9.061 1.00 81.96 19 A 1 ATOM 140 C CB . ALA A 1 19 ? 13.238 3.210 -6.671 1.00 86.72 19 A 1 ATOM 141 O OXT . ALA A 1 19 ? 15.558 1.235 -7.189 1.00 76.90 19 A 1 #