# 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_spkb12867 # _entry.id spkb12867 # 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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([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 ALA 2 1 n VAL 3 1 n CYS 4 1 n GLY 5 1 n ARG 6 1 n VAL 7 1 n ARG 8 1 n GLY 9 1 n MET 10 1 n PHE 11 1 n ARG 12 1 n LEU 13 1 n SER 14 1 n ALA 15 1 n ALA 16 1 n LEU 17 1 n PRO 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n LEU 22 1 n ALA 23 1 n ALA 24 1 n ALA 25 1 n GLY 26 1 n ALA 27 # _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 @ 2025-07-05 17:00:37)" _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 88.52 _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 72.60 1 1 A ALA 2 2 84.46 1 2 A VAL 3 2 88.63 1 3 A CYS 4 2 86.31 1 4 A GLY 5 2 90.02 1 5 A ARG 6 2 80.90 1 6 A VAL 7 2 92.18 1 7 A ARG 8 2 82.33 1 8 A GLY 9 2 93.39 1 9 A MET 10 2 86.86 1 10 A PHE 11 2 88.44 1 11 A ARG 12 2 84.42 1 12 A LEU 13 2 90.63 1 13 A SER 14 2 92.01 1 14 A ALA 15 2 94.57 1 15 A ALA 16 2 95.32 1 16 A LEU 17 2 90.89 1 17 A PRO 18 2 94.95 1 18 A LEU 19 2 92.11 1 19 A LEU 20 2 92.37 1 20 A LEU 21 2 93.12 1 21 A LEU 22 2 91.35 1 22 A ALA 23 2 95.22 1 23 A ALA 24 2 95.21 1 24 A ALA 25 2 93.84 1 25 A GLY 26 2 88.24 1 26 A ALA 27 2 79.12 1 27 # _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 ALA . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n ALA . 27 A 27 # _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 ? -6.414 -16.454 9.687 1.00 78.09 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.656 -15.191 9.847 1.00 80.22 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.881 -14.796 8.589 1.00 81.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.742 -13.611 8.334 1.00 75.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.719 -15.264 11.057 1.00 74.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.515 -15.186 12.368 1.00 68.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.537 -14.511 13.718 1.00 65.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.779 -14.438 15.017 1.00 56.95 1 A 1 ATOM 9 N N . ALA A 1 2 ? -4.427 -15.760 7.784 1.00 81.27 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -3.678 -15.470 6.554 1.00 85.80 2 A 1 ATOM 11 C C . ALA A 1 2 ? -4.493 -14.659 5.532 1.00 88.89 2 A 1 ATOM 12 O O . ALA A 1 2 ? -3.952 -13.772 4.874 1.00 84.75 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -3.200 -16.795 5.959 1.00 81.61 2 A 1 ATOM 14 N N . VAL A 1 3 ? -5.806 -14.927 5.438 1.00 89.80 3 A 1 ATOM 15 C CA . VAL A 1 3 ? -6.713 -14.203 4.529 1.00 91.74 3 A 1 ATOM 16 C C . VAL A 1 3 ? -6.821 -12.733 4.929 1.00 93.11 3 A 1 ATOM 17 O O . VAL A 1 3 ? -6.695 -11.852 4.078 1.00 90.60 3 A 1 ATOM 18 C CB . VAL A 1 3 ? -8.099 -14.873 4.499 1.00 89.86 3 A 1 ATOM 19 C CG1 . VAL A 1 3 ? -9.043 -14.162 3.533 1.00 82.21 3 A 1 ATOM 20 C CG2 . VAL A 1 3 ? -7.992 -16.336 4.069 1.00 83.08 3 A 1 ATOM 21 N N . CYS A 1 4 ? -6.959 -12.450 6.223 1.00 90.16 4 A 1 ATOM 22 C CA . CYS A 1 4 ? -7.009 -11.078 6.734 1.00 89.97 4 A 1 ATOM 23 C C . CYS A 1 4 ? -5.703 -10.325 6.457 1.00 91.10 4 A 1 ATOM 24 O O . CYS A 1 4 ? -5.729 -9.150 6.110 1.00 87.53 4 A 1 ATOM 25 C CB . CYS A 1 4 ? -7.293 -11.103 8.238 1.00 85.49 4 A 1 ATOM 26 S SG . CYS A 1 4 ? -8.894 -11.897 8.586 1.00 73.63 4 A 1 ATOM 27 N N . GLY A 1 5 ? -4.566 -11.010 6.575 1.00 88.14 5 A 1 ATOM 28 C CA . GLY A 1 5 ? -3.259 -10.437 6.254 1.00 89.76 5 A 1 ATOM 29 C C . GLY A 1 5 ? -3.124 -10.093 4.772 1.00 91.93 5 A 1 ATOM 30 O O . GLY A 1 5 ? -2.635 -9.014 4.435 1.00 90.24 5 A 1 ATOM 31 N N . ARG A 1 6 ? -3.606 -10.969 3.881 1.00 91.01 6 A 1 ATOM 32 C CA . ARG A 1 6 ? -3.576 -10.746 2.430 1.00 92.25 6 A 1 ATOM 33 C C . ARG A 1 6 ? -4.496 -9.587 2.027 1.00 93.72 6 A 1 ATOM 34 O O . ARG A 1 6 ? -4.058 -8.710 1.286 1.00 91.72 6 A 1 ATOM 35 C CB . ARG A 1 6 ? -3.928 -12.056 1.705 1.00 90.72 6 A 1 ATOM 36 C CG . ARG A 1 6 ? -3.681 -11.943 0.204 1.00 81.79 6 A 1 ATOM 37 C CD . ARG A 1 6 ? -3.980 -13.260 -0.520 1.00 79.30 6 A 1 ATOM 38 N NE . ARG A 1 6 ? -2.853 -14.216 -0.446 1.00 72.36 6 A 1 ATOM 39 C CZ . ARG A 1 6 ? -2.824 -15.416 -1.018 1.00 70.30 6 A 1 ATOM 40 N NH1 . ARG A 1 6 ? -3.854 -15.895 -1.662 1.00 62.25 6 A 1 ATOM 41 N NH2 . ARG A 1 6 ? -1.745 -16.152 -0.955 1.00 64.48 6 A 1 ATOM 42 N N . VAL A 1 7 ? -5.713 -9.543 2.564 1.00 93.56 7 A 1 ATOM 43 C CA . VAL A 1 7 ? -6.670 -8.453 2.307 1.00 93.97 7 A 1 ATOM 44 C C . VAL A 1 7 ? -6.118 -7.125 2.825 1.00 94.63 7 A 1 ATOM 45 O O . VAL A 1 7 ? -6.145 -6.119 2.115 1.00 93.57 7 A 1 ATOM 46 C CB . VAL A 1 7 ? -8.037 -8.770 2.940 1.00 93.53 7 A 1 ATOM 47 C CG1 . VAL A 1 7 ? -9.016 -7.608 2.806 1.00 88.31 7 A 1 ATOM 48 C CG2 . VAL A 1 7 ? -8.667 -9.988 2.263 1.00 87.68 7 A 1 ATOM 49 N N . ARG A 1 8 ? -5.541 -7.125 4.025 1.00 93.52 8 A 1 ATOM 50 C CA . ARG A 1 8 ? -4.918 -5.932 4.612 1.00 93.23 8 A 1 ATOM 51 C C . ARG A 1 8 ? -3.696 -5.482 3.811 1.00 93.89 8 A 1 ATOM 52 O O . ARG A 1 8 ? -3.486 -4.286 3.656 1.00 92.74 8 A 1 ATOM 53 C CB . ARG A 1 8 ? -4.579 -6.233 6.077 1.00 91.79 8 A 1 ATOM 54 C CG . ARG A 1 8 ? -4.281 -4.954 6.847 1.00 83.59 8 A 1 ATOM 55 C CD . ARG A 1 8 ? -4.121 -5.261 8.341 1.00 80.49 8 A 1 ATOM 56 N NE . ARG A 1 8 ? -2.871 -6.006 8.604 1.00 74.59 8 A 1 ATOM 57 C CZ . ARG A 1 8 ? -2.518 -6.514 9.779 1.00 71.01 8 A 1 ATOM 58 N NH1 . ARG A 1 8 ? -3.274 -6.420 10.833 1.00 65.11 8 A 1 ATOM 59 N NH2 . ARG A 1 8 ? -1.374 -7.136 9.902 1.00 65.64 8 A 1 ATOM 60 N N . GLY A 1 9 ? -2.920 -6.419 3.287 1.00 93.16 9 A 1 ATOM 61 C CA . GLY A 1 9 ? -1.797 -6.117 2.402 1.00 92.94 9 A 1 ATOM 62 C C . GLY A 1 9 ? -2.257 -5.470 1.096 1.00 94.33 9 A 1 ATOM 63 O O . GLY A 1 9 ? -1.718 -4.440 0.702 1.00 93.13 9 A 1 ATOM 64 N N . MET A 1 10 ? -3.299 -6.016 0.469 1.00 93.10 10 A 1 ATOM 65 C CA . MET A 1 10 ? -3.911 -5.439 -0.736 1.00 92.96 10 A 1 ATOM 66 C C . MET A 1 10 ? -4.453 -4.032 -0.479 1.00 94.30 10 A 1 ATOM 67 O O . MET A 1 10 ? -4.213 -3.121 -1.267 1.00 92.10 10 A 1 ATOM 68 C CB . MET A 1 10 ? -5.034 -6.358 -1.230 1.00 91.66 10 A 1 ATOM 69 C CG . MET A 1 10 ? -4.754 -6.872 -2.634 1.00 83.63 10 A 1 ATOM 70 S SD . MET A 1 10 ? -6.017 -8.017 -3.221 1.00 78.40 10 A 1 ATOM 71 C CE . MET A 1 10 ? -5.699 -7.936 -4.992 1.00 68.70 10 A 1 ATOM 72 N N . PHE A 1 11 ? -5.130 -3.840 0.664 1.00 93.46 11 A 1 ATOM 73 C CA . PHE A 1 11 ? -5.662 -2.535 1.051 1.00 93.11 11 A 1 ATOM 74 C C . PHE A 1 11 ? -4.543 -1.519 1.286 1.00 94.27 11 A 1 ATOM 75 O O . PHE A 1 11 ? -4.643 -0.371 0.856 1.00 93.01 11 A 1 ATOM 76 C CB . PHE A 1 11 ? -6.532 -2.699 2.297 1.00 92.65 11 A 1 ATOM 77 C CG . PHE A 1 11 ? -7.549 -1.595 2.442 1.00 87.91 11 A 1 ATOM 78 C CD1 . PHE A 1 11 ? -7.244 -0.426 3.143 1.00 84.75 11 A 1 ATOM 79 C CD2 . PHE A 1 11 ? -8.811 -1.730 1.842 1.00 84.20 11 A 1 ATOM 80 C CE1 . PHE A 1 11 ? -8.188 0.600 3.248 1.00 82.73 11 A 1 ATOM 81 C CE2 . PHE A 1 11 ? -9.755 -0.706 1.949 1.00 83.29 11 A 1 ATOM 82 C CZ . PHE A 1 11 ? -9.442 0.459 2.652 1.00 83.44 11 A 1 ATOM 83 N N . ARG A 1 12 ? -3.439 -1.948 1.914 1.00 92.73 12 A 1 ATOM 84 C CA . ARG A 1 12 ? -2.261 -1.099 2.122 1.00 93.26 12 A 1 ATOM 85 C C . ARG A 1 12 ? -1.590 -0.723 0.806 1.00 94.93 12 A 1 ATOM 86 O O . ARG A 1 12 ? -1.217 0.435 0.648 1.00 93.76 12 A 1 ATOM 87 C CB . ARG A 1 12 ? -1.256 -1.800 3.036 1.00 91.87 12 A 1 ATOM 88 C CG . ARG A 1 12 ? -1.696 -1.719 4.495 1.00 86.04 12 A 1 ATOM 89 C CD . ARG A 1 12 ? -0.733 -2.533 5.349 1.00 83.18 12 A 1 ATOM 90 N NE . ARG A 1 12 ? -1.070 -2.415 6.780 1.00 77.65 12 A 1 ATOM 91 C CZ . ARG A 1 12 ? -0.338 -2.886 7.774 1.00 76.21 12 A 1 ATOM 92 N NH1 . ARG A 1 12 ? 0.748 -3.580 7.563 1.00 68.88 12 A 1 ATOM 93 N NH2 . ARG A 1 12 ? -0.694 -2.654 9.012 1.00 70.10 12 A 1 ATOM 94 N N . LEU A 1 13 ? -1.477 -1.652 -0.139 1.00 93.72 13 A 1 ATOM 95 C CA . LEU A 1 13 ? -0.925 -1.362 -1.463 1.00 93.53 13 A 1 ATOM 96 C C . LEU A 1 13 ? -1.813 -0.374 -2.224 1.00 95.13 13 A 1 ATOM 97 O O . LEU A 1 13 ? -1.301 0.579 -2.810 1.00 94.28 13 A 1 ATOM 98 C CB . LEU A 1 13 ? -0.766 -2.671 -2.245 1.00 93.05 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 0.391 -3.545 -1.744 1.00 87.47 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 0.288 -4.942 -2.350 1.00 84.13 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 1.744 -2.950 -2.122 1.00 83.77 13 A 1 ATOM 102 N N . SER A 1 14 ? -3.128 -0.546 -2.152 1.00 95.04 14 A 1 ATOM 103 C CA . SER A 1 14 ? -4.088 0.380 -2.756 1.00 94.54 14 A 1 ATOM 104 C C . SER A 1 14 ? -4.033 1.767 -2.111 1.00 95.14 14 A 1 ATOM 105 O O . SER A 1 14 ? -4.169 2.771 -2.805 1.00 94.05 14 A 1 ATOM 106 C CB . SER A 1 14 ? -5.505 -0.180 -2.641 1.00 92.88 14 A 1 ATOM 107 O OG . SER A 1 14 ? -5.584 -1.453 -3.252 1.00 80.41 14 A 1 ATOM 108 N N . ALA A 1 15 ? -3.796 1.833 -0.799 1.00 94.91 15 A 1 ATOM 109 C CA . ALA A 1 15 ? -3.627 3.097 -0.084 1.00 94.71 15 A 1 ATOM 110 C C . ALA A 1 15 ? -2.231 3.706 -0.285 1.00 95.69 15 A 1 ATOM 111 O O . ALA A 1 15 ? -2.075 4.919 -0.177 1.00 94.49 15 A 1 ATOM 112 C CB . ALA A 1 15 ? -3.915 2.856 1.401 1.00 93.04 15 A 1 ATOM 113 N N . ALA A 1 16 ? -1.216 2.888 -0.580 1.00 95.46 16 A 1 ATOM 114 C CA . ALA A 1 16 ? 0.146 3.360 -0.817 1.00 95.38 16 A 1 ATOM 115 C C . ALA A 1 16 ? 0.280 4.092 -2.155 1.00 96.38 16 A 1 ATOM 116 O O . ALA A 1 16 ? 1.083 5.017 -2.254 1.00 95.11 16 A 1 ATOM 117 C CB . ALA A 1 16 ? 1.110 2.174 -0.741 1.00 94.28 16 A 1 ATOM 118 N N . LEU A 1 17 ? -0.516 3.723 -3.160 1.00 94.51 17 A 1 ATOM 119 C CA . LEU A 1 17 ? -0.505 4.375 -4.471 1.00 94.26 17 A 1 ATOM 120 C C . LEU A 1 17 ? -0.730 5.899 -4.384 1.00 95.65 17 A 1 ATOM 121 O O . LEU A 1 17 ? 0.123 6.650 -4.865 1.00 95.25 17 A 1 ATOM 122 C CB . LEU A 1 17 ? -1.520 3.679 -5.391 1.00 93.26 17 A 1 ATOM 123 C CG . LEU A 1 17 ? -1.195 3.873 -6.873 1.00 87.00 17 A 1 ATOM 124 C CD1 . LEU A 1 17 ? -0.700 2.566 -7.489 1.00 84.04 17 A 1 ATOM 125 C CD2 . LEU A 1 17 ? -2.432 4.336 -7.639 1.00 83.15 17 A 1 ATOM 126 N N . PRO A 1 18 ? -1.817 6.387 -3.758 1.00 95.74 18 A 1 ATOM 127 C CA . PRO A 1 18 ? -2.023 7.831 -3.600 1.00 95.67 18 A 1 ATOM 128 C C . PRO A 1 18 ? -0.967 8.478 -2.706 1.00 96.69 18 A 1 ATOM 129 O O . PRO A 1 18 ? -0.601 9.626 -2.946 1.00 95.87 18 A 1 ATOM 130 C CB . PRO A 1 18 ? -3.436 7.973 -3.016 1.00 94.07 18 A 1 ATOM 131 C CG . PRO A 1 18 ? -3.704 6.638 -2.353 1.00 92.18 18 A 1 ATOM 132 C CD . PRO A 1 18 ? -2.943 5.656 -3.236 1.00 94.40 18 A 1 ATOM 133 N N . LEU A 1 19 ? -0.435 7.755 -1.718 1.00 94.78 19 A 1 ATOM 134 C CA . LEU A 1 19 ? 0.635 8.268 -0.862 1.00 94.77 19 A 1 ATOM 135 C C . LEU A 1 19 ? 1.936 8.466 -1.645 1.00 96.06 19 A 1 ATOM 136 O O . LEU A 1 19 ? 2.618 9.467 -1.442 1.00 95.49 19 A 1 ATOM 137 C CB . LEU A 1 19 ? 0.866 7.310 0.315 1.00 93.92 19 A 1 ATOM 138 C CG . LEU A 1 19 ? -0.270 7.289 1.343 1.00 88.72 19 A 1 ATOM 139 C CD1 . LEU A 1 19 ? -0.008 6.183 2.363 1.00 86.91 19 A 1 ATOM 140 C CD2 . LEU A 1 19 ? -0.375 8.620 2.090 1.00 86.24 19 A 1 ATOM 141 N N . LEU A 1 20 ? 2.259 7.546 -2.562 1.00 95.34 20 A 1 ATOM 142 C CA . LEU A 1 20 ? 3.419 7.681 -3.440 1.00 95.04 20 A 1 ATOM 143 C C . LEU A 1 20 ? 3.252 8.860 -4.400 1.00 96.25 20 A 1 ATOM 144 O O . LEU A 1 20 ? 4.204 9.609 -4.613 1.00 95.81 20 A 1 ATOM 145 C CB . LEU A 1 20 ? 3.624 6.376 -4.221 1.00 94.45 20 A 1 ATOM 146 C CG . LEU A 1 20 ? 4.162 5.217 -3.369 1.00 88.80 20 A 1 ATOM 147 C CD1 . LEU A 1 20 ? 4.090 3.919 -4.171 1.00 86.84 20 A 1 ATOM 148 C CD2 . LEU A 1 20 ? 5.615 5.450 -2.953 1.00 86.43 20 A 1 ATOM 149 N N . LEU A 1 21 ? 2.055 9.059 -4.935 1.00 95.70 21 A 1 ATOM 150 C CA . LEU A 1 21 ? 1.753 10.216 -5.777 1.00 95.57 21 A 1 ATOM 151 C C . LEU A 1 21 ? 1.872 11.525 -4.987 1.00 96.42 21 A 1 ATOM 152 O O . LEU A 1 21 ? 2.454 12.486 -5.488 1.00 96.17 21 A 1 ATOM 153 C CB . LEU A 1 21 ? 0.343 10.069 -6.362 1.00 95.14 21 A 1 ATOM 154 C CG . LEU A 1 21 ? 0.226 8.984 -7.444 1.00 90.27 21 A 1 ATOM 155 C CD1 . LEU A 1 21 ? -1.249 8.745 -7.771 1.00 88.12 21 A 1 ATOM 156 C CD2 . LEU A 1 21 ? 0.945 9.390 -8.729 1.00 87.57 21 A 1 ATOM 157 N N . LEU A 1 22 ? 1.385 11.544 -3.750 1.00 95.56 22 A 1 ATOM 158 C CA . LEU A 1 22 ? 1.517 12.703 -2.866 1.00 95.00 22 A 1 ATOM 159 C C . LEU A 1 22 ? 2.982 12.987 -2.535 1.00 95.75 22 A 1 ATOM 160 O O . LEU A 1 22 ? 3.403 14.143 -2.561 1.00 95.31 22 A 1 ATOM 161 C CB . LEU A 1 22 ? 0.714 12.469 -1.577 1.00 94.09 22 A 1 ATOM 162 C CG . LEU A 1 22 ? -0.126 13.689 -1.192 1.00 86.06 22 A 1 ATOM 163 C CD1 . LEU A 1 22 ? -1.530 13.585 -1.791 1.00 84.64 22 A 1 ATOM 164 C CD2 . LEU A 1 22 ? -0.247 13.802 0.320 1.00 84.39 22 A 1 ATOM 165 N N . ALA A 1 23 ? 3.758 11.925 -2.252 1.00 96.03 23 A 1 ATOM 166 C CA . ALA A 1 23 ? 5.185 12.055 -1.982 1.00 95.26 23 A 1 ATOM 167 C C . ALA A 1 23 ? 5.944 12.562 -3.212 1.00 95.88 23 A 1 ATOM 168 O O . ALA A 1 23 ? 6.815 13.416 -3.076 1.00 94.64 23 A 1 ATOM 169 C CB . ALA A 1 23 ? 5.722 10.702 -1.505 1.00 94.29 23 A 1 ATOM 170 N N . ALA A 1 24 ? 5.599 12.089 -4.410 1.00 96.04 24 A 1 ATOM 171 C CA . ALA A 1 24 ? 6.204 12.559 -5.653 1.00 95.45 24 A 1 ATOM 172 C C . ALA A 1 24 ? 5.817 14.008 -5.976 1.00 95.79 24 A 1 ATOM 173 O O . ALA A 1 24 ? 6.623 14.745 -6.535 1.00 94.33 24 A 1 ATOM 174 C CB . ALA A 1 24 ? 5.788 11.611 -6.785 1.00 94.44 24 A 1 ATOM 175 N N . ALA A 1 25 ? 4.612 14.433 -5.619 1.00 95.65 25 A 1 ATOM 176 C CA . ALA A 1 25 ? 4.148 15.806 -5.827 1.00 94.61 25 A 1 ATOM 177 C C . ALA A 1 25 ? 4.660 16.780 -4.757 1.00 94.48 25 A 1 ATOM 178 O O . ALA A 1 25 ? 4.746 17.979 -5.018 1.00 91.23 25 A 1 ATOM 179 C CB . ALA A 1 25 ? 2.616 15.794 -5.869 1.00 93.22 25 A 1 ATOM 180 N N . GLY A 1 26 ? 4.974 16.281 -3.564 1.00 91.25 26 A 1 ATOM 181 C CA . GLY A 1 26 ? 5.446 17.084 -2.433 1.00 88.27 26 A 1 ATOM 182 C C . GLY A 1 26 ? 6.962 17.057 -2.224 1.00 88.39 26 A 1 ATOM 183 O O . GLY A 1 26 ? 7.449 17.733 -1.323 1.00 85.05 26 A 1 ATOM 184 N N . ALA A 1 27 ? 7.698 16.278 -3.020 1.00 89.20 27 A 1 ATOM 185 C CA . ALA A 1 27 ? 9.155 16.193 -2.970 1.00 84.54 27 A 1 ATOM 186 C C . ALA A 1 27 ? 9.813 17.231 -3.880 1.00 79.18 27 A 1 ATOM 187 O O . ALA A 1 27 ? 9.222 17.583 -4.919 1.00 73.47 27 A 1 ATOM 188 C CB . ALA A 1 27 ? 9.599 14.770 -3.305 1.00 78.91 27 A 1 ATOM 189 O OXT . ALA A 1 27 ? 10.938 17.680 -3.529 1.00 69.40 27 A 1 #