# 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_spkb33454 # _entry.id spkb33454 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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" "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 MET 2 1 n PRO 3 1 n ARG 4 1 n ARG 5 1 n ASP 6 1 n VAL 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n ILE 16 1 n ALA 17 1 n THR 18 1 n VAL 19 1 n SER 20 1 n ALA 21 1 n VAL 22 1 n ALA 23 1 n LEU 24 1 n ALA 25 # _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 @ 2025-07-13 13:45:31)" _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 94.10 _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 84.19 1 1 A MET 2 2 85.82 1 2 A PRO 3 2 93.72 1 3 A ARG 4 2 85.13 1 4 A ARG 5 2 84.85 1 5 A ASP 6 2 95.77 1 6 A VAL 7 2 97.23 1 7 A LEU 8 2 95.96 1 8 A PHE 9 2 96.46 1 9 A LEU 10 2 95.67 1 10 A SER 11 2 96.84 1 11 A LEU 12 2 96.06 1 12 A LEU 13 2 96.55 1 13 A LEU 14 2 96.10 1 14 A VAL 15 2 98.32 1 15 A ILE 16 2 97.77 1 16 A ALA 17 2 98.63 1 17 A THR 18 2 96.66 1 18 A VAL 19 2 98.13 1 19 A SER 20 2 96.18 1 20 A ALA 21 2 98.73 1 21 A VAL 22 2 98.10 1 22 A ALA 23 2 98.31 1 23 A LEU 24 2 94.37 1 24 A ALA 25 2 90.37 1 25 # _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 MET . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ASP . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 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 LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -1.504 -17.545 -2.547 1.00 90.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.932 -16.593 -1.500 1.00 91.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.734 -15.753 -1.103 1.00 92.91 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.326 -16.323 -0.874 1.00 88.89 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.482 -17.329 -0.270 1.00 87.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.925 -17.795 -0.484 1.00 81.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.562 -18.717 0.942 1.00 74.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.327 -18.684 0.594 1.00 65.82 1 A 1 ATOM 9 N N . MET A 1 2 ? -0.875 -14.435 -1.044 1.00 92.64 2 A 1 ATOM 10 C CA . MET A 1 2 ? 0.197 -13.583 -0.525 1.00 93.10 2 A 1 ATOM 11 C C . MET A 1 2 ? 0.354 -13.810 0.980 1.00 94.13 2 A 1 ATOM 12 O O . MET A 1 2 ? -0.660 -13.945 1.679 1.00 92.07 2 A 1 ATOM 13 C CB . MET A 1 2 ? -0.085 -12.112 -0.817 1.00 89.05 2 A 1 ATOM 14 C CG . MET A 1 2 ? 0.171 -11.773 -2.285 1.00 81.48 2 A 1 ATOM 15 S SD . MET A 1 2 ? -0.151 -10.032 -2.666 1.00 76.19 2 A 1 ATOM 16 C CE . MET A 1 2 ? 0.502 -9.944 -4.338 1.00 67.88 2 A 1 ATOM 17 N N . PRO A 1 3 ? 1.591 -13.862 1.503 1.00 95.09 3 A 1 ATOM 18 C CA . PRO A 1 3 ? 1.807 -13.963 2.936 1.00 95.99 3 A 1 ATOM 19 C C . PRO A 1 3 ? 1.238 -12.728 3.646 1.00 96.80 3 A 1 ATOM 20 O O . PRO A 1 3 ? 1.262 -11.612 3.124 1.00 94.65 3 A 1 ATOM 21 C CB . PRO A 1 3 ? 3.320 -14.133 3.117 1.00 93.37 3 A 1 ATOM 22 C CG . PRO A 1 3 ? 3.922 -13.602 1.826 1.00 88.41 3 A 1 ATOM 23 C CD . PRO A 1 3 ? 2.828 -13.794 0.777 1.00 91.72 3 A 1 ATOM 24 N N . ARG A 1 4 ? 0.720 -12.913 4.872 1.00 95.96 4 A 1 ATOM 25 C CA . ARG A 1 4 ? 0.078 -11.836 5.650 1.00 96.75 4 A 1 ATOM 26 C C . ARG A 1 4 ? 0.954 -10.583 5.764 1.00 97.28 4 A 1 ATOM 27 O O . ARG A 1 4 ? 0.435 -9.470 5.763 1.00 96.19 4 A 1 ATOM 28 C CB . ARG A 1 4 ? -0.278 -12.329 7.061 1.00 95.58 4 A 1 ATOM 29 C CG . ARG A 1 4 ? -1.501 -13.256 7.092 1.00 87.24 4 A 1 ATOM 30 C CD . ARG A 1 4 ? -1.840 -13.599 8.548 1.00 83.59 4 A 1 ATOM 31 N NE . ARG A 1 4 ? -3.079 -14.389 8.648 1.00 76.20 4 A 1 ATOM 32 C CZ . ARG A 1 4 ? -3.607 -14.857 9.773 1.00 73.81 4 A 1 ATOM 33 N NH1 . ARG A 1 4 ? -3.034 -14.673 10.934 1.00 68.02 4 A 1 ATOM 34 N NH2 . ARG A 1 4 ? -4.726 -15.527 9.748 1.00 65.77 4 A 1 ATOM 35 N N . ARG A 1 5 ? 2.262 -10.773 5.851 1.00 96.35 5 A 1 ATOM 36 C CA . ARG A 1 5 ? 3.221 -9.668 5.969 1.00 97.22 5 A 1 ATOM 37 C C . ARG A 1 5 ? 3.226 -8.781 4.725 1.00 97.76 5 A 1 ATOM 38 O O . ARG A 1 5 ? 3.236 -7.561 4.859 1.00 97.04 5 A 1 ATOM 39 C CB . ARG A 1 5 ? 4.606 -10.256 6.280 1.00 96.11 5 A 1 ATOM 40 C CG . ARG A 1 5 ? 5.558 -9.182 6.796 1.00 87.70 5 A 1 ATOM 41 C CD . ARG A 1 5 ? 6.879 -9.819 7.220 1.00 82.82 5 A 1 ATOM 42 N NE . ARG A 1 5 ? 7.762 -8.840 7.878 1.00 75.78 5 A 1 ATOM 43 C CZ . ARG A 1 5 ? 8.910 -9.110 8.483 1.00 72.72 5 A 1 ATOM 44 N NH1 . ARG A 1 5 ? 9.393 -10.324 8.519 1.00 66.02 5 A 1 ATOM 45 N NH2 . ARG A 1 5 ? 9.589 -8.162 9.062 1.00 63.81 5 A 1 ATOM 46 N N . ASP A 1 6 ? 3.141 -9.374 3.537 1.00 97.84 6 A 1 ATOM 47 C CA . ASP A 1 6 ? 3.111 -8.630 2.276 1.00 98.08 6 A 1 ATOM 48 C C . ASP A 1 6 ? 1.789 -7.880 2.113 1.00 98.37 6 A 1 ATOM 49 O O . ASP A 1 6 ? 1.779 -6.732 1.675 1.00 98.13 6 A 1 ATOM 50 C CB . ASP A 1 6 ? 3.329 -9.583 1.095 1.00 97.52 6 A 1 ATOM 51 C CG . ASP A 1 6 ? 4.710 -10.234 1.087 1.00 94.97 6 A 1 ATOM 52 O OD1 . ASP A 1 6 ? 5.582 -9.822 1.883 1.00 90.78 6 A 1 ATOM 53 O OD2 . ASP A 1 6 ? 4.867 -11.191 0.305 1.00 90.47 6 A 1 ATOM 54 N N . VAL A 1 7 ? 0.674 -8.476 2.540 1.00 97.96 7 A 1 ATOM 55 C CA . VAL A 1 7 ? -0.639 -7.812 2.548 1.00 98.11 7 A 1 ATOM 56 C C . VAL A 1 7 ? -0.631 -6.594 3.469 1.00 98.31 7 A 1 ATOM 57 O O . VAL A 1 7 ? -1.103 -5.528 3.074 1.00 98.15 7 A 1 ATOM 58 C CB . VAL A 1 7 ? -1.757 -8.791 2.947 1.00 97.75 7 A 1 ATOM 59 C CG1 . VAL A 1 7 ? -3.118 -8.097 3.014 1.00 95.20 7 A 1 ATOM 60 C CG2 . VAL A 1 7 ? -1.860 -9.936 1.937 1.00 95.13 7 A 1 ATOM 61 N N . LEU A 1 8 ? -0.075 -6.717 4.669 1.00 98.08 8 A 1 ATOM 62 C CA . LEU A 1 8 ? 0.035 -5.596 5.610 1.00 98.21 8 A 1 ATOM 63 C C . LEU A 1 8 ? 0.921 -4.476 5.054 1.00 98.42 8 A 1 ATOM 64 O O . LEU A 1 8 ? 0.562 -3.304 5.157 1.00 98.40 8 A 1 ATOM 65 C CB . LEU A 1 8 ? 0.594 -6.092 6.954 1.00 98.14 8 A 1 ATOM 66 C CG . LEU A 1 8 ? -0.385 -6.950 7.771 1.00 93.57 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? 0.341 -7.525 8.989 1.00 91.19 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? -1.589 -6.143 8.266 1.00 91.70 8 A 1 ATOM 69 N N . PHE A 1 9 ? 2.040 -4.830 4.426 1.00 98.18 9 A 1 ATOM 70 C CA . PHE A 1 9 ? 2.939 -3.858 3.810 1.00 98.30 9 A 1 ATOM 71 C C . PHE A 1 9 ? 2.264 -3.112 2.651 1.00 98.48 9 A 1 ATOM 72 O O . PHE A 1 9 ? 2.297 -1.881 2.607 1.00 98.48 9 A 1 ATOM 73 C CB . PHE A 1 9 ? 4.208 -4.584 3.355 1.00 98.20 9 A 1 ATOM 74 C CG . PHE A 1 9 ? 5.228 -3.648 2.756 1.00 96.97 9 A 1 ATOM 75 C CD1 . PHE A 1 9 ? 5.439 -3.623 1.369 1.00 94.91 9 A 1 ATOM 76 C CD2 . PHE A 1 9 ? 5.956 -2.784 3.587 1.00 95.10 9 A 1 ATOM 77 C CE1 . PHE A 1 9 ? 6.382 -2.746 0.815 1.00 94.12 9 A 1 ATOM 78 C CE2 . PHE A 1 9 ? 6.897 -1.901 3.032 1.00 94.09 9 A 1 ATOM 79 C CZ . PHE A 1 9 ? 7.110 -1.884 1.647 1.00 94.18 9 A 1 ATOM 80 N N . LEU A 1 10 ? 1.581 -3.828 1.767 1.00 98.27 10 A 1 ATOM 81 C CA . LEU A 1 10 ? 0.834 -3.219 0.665 1.00 98.25 10 A 1 ATOM 82 C C . LEU A 1 10 ? -0.319 -2.344 1.167 1.00 98.43 10 A 1 ATOM 83 O O . LEU A 1 10 ? -0.540 -1.260 0.627 1.00 98.43 10 A 1 ATOM 84 C CB . LEU A 1 10 ? 0.304 -4.325 -0.260 1.00 98.04 10 A 1 ATOM 85 C CG . LEU A 1 10 ? 1.396 -5.037 -1.080 1.00 92.06 10 A 1 ATOM 86 C CD1 . LEU A 1 10 ? 0.776 -6.220 -1.821 1.00 90.55 10 A 1 ATOM 87 C CD2 . LEU A 1 10 ? 2.043 -4.106 -2.110 1.00 91.36 10 A 1 ATOM 88 N N . SER A 1 11 ? -1.018 -2.764 2.215 1.00 98.14 11 A 1 ATOM 89 C CA . SER A 1 11 ? -2.075 -1.967 2.844 1.00 98.21 11 A 1 ATOM 90 C C . SER A 1 11 ? -1.520 -0.671 3.437 1.00 98.44 11 A 1 ATOM 91 O O . SER A 1 11 ? -2.121 0.384 3.262 1.00 98.32 11 A 1 ATOM 92 C CB . SER A 1 11 ? -2.782 -2.765 3.941 1.00 97.91 11 A 1 ATOM 93 O OG . SER A 1 11 ? -3.369 -3.943 3.409 1.00 90.03 11 A 1 ATOM 94 N N . LEU A 1 12 ? -0.364 -0.731 4.084 1.00 98.35 12 A 1 ATOM 95 C CA . LEU A 1 12 ? 0.302 0.459 4.612 1.00 98.41 12 A 1 ATOM 96 C C . LEU A 1 12 ? 0.694 1.427 3.488 1.00 98.59 12 A 1 ATOM 97 O O . LEU A 1 12 ? 0.432 2.624 3.600 1.00 98.55 12 A 1 ATOM 98 C CB . LEU A 1 12 ? 1.523 0.020 5.437 1.00 98.29 12 A 1 ATOM 99 C CG . LEU A 1 12 ? 2.294 1.192 6.073 1.00 92.98 12 A 1 ATOM 100 C CD1 . LEU A 1 12 ? 1.449 1.944 7.101 1.00 91.03 12 A 1 ATOM 101 C CD2 . LEU A 1 12 ? 3.551 0.668 6.759 1.00 92.30 12 A 1 ATOM 102 N N . LEU A 1 13 ? 1.272 0.923 2.396 1.00 98.47 13 A 1 ATOM 103 C CA . LEU A 1 13 ? 1.612 1.742 1.234 1.00 98.50 13 A 1 ATOM 104 C C . LEU A 1 13 ? 0.375 2.398 0.616 1.00 98.60 13 A 1 ATOM 105 O O . LEU A 1 13 ? 0.429 3.575 0.263 1.00 98.56 13 A 1 ATOM 106 C CB . LEU A 1 13 ? 2.329 0.884 0.179 1.00 98.37 13 A 1 ATOM 107 C CG . LEU A 1 13 ? 3.768 0.470 0.542 1.00 93.92 13 A 1 ATOM 108 C CD1 . LEU A 1 13 ? 4.317 -0.390 -0.599 1.00 92.67 13 A 1 ATOM 109 C CD2 . LEU A 1 13 ? 4.696 1.670 0.735 1.00 93.32 13 A 1 ATOM 110 N N . LEU A 1 14 ? -0.737 1.677 0.530 1.00 98.61 14 A 1 ATOM 111 C CA . LEU A 1 14 ? -1.995 2.214 0.021 1.00 98.60 14 A 1 ATOM 112 C C . LEU A 1 14 ? -2.518 3.353 0.901 1.00 98.71 14 A 1 ATOM 113 O O . LEU A 1 14 ? -2.927 4.391 0.379 1.00 98.63 14 A 1 ATOM 114 C CB . LEU A 1 14 ? -3.014 1.070 -0.085 1.00 98.40 14 A 1 ATOM 115 C CG . LEU A 1 14 ? -4.367 1.508 -0.675 1.00 93.02 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? -4.237 1.950 -2.134 1.00 90.98 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? -5.353 0.343 -0.602 1.00 91.83 14 A 1 ATOM 118 N N . VAL A 1 15 ? -2.484 3.192 2.222 1.00 98.70 15 A 1 ATOM 119 C CA . VAL A 1 15 ? -2.888 4.244 3.167 1.00 98.69 15 A 1 ATOM 120 C C . VAL A 1 15 ? -1.995 5.474 3.016 1.00 98.78 15 A 1 ATOM 121 O O . VAL A 1 15 ? -2.516 6.581 2.880 1.00 98.63 15 A 1 ATOM 122 C CB . VAL A 1 15 ? -2.887 3.722 4.615 1.00 98.47 15 A 1 ATOM 123 C CG1 . VAL A 1 15 ? -3.107 4.842 5.635 1.00 97.46 15 A 1 ATOM 124 C CG2 . VAL A 1 15 ? -4.014 2.704 4.818 1.00 97.51 15 A 1 ATOM 125 N N . ILE A 1 16 ? -0.683 5.301 2.971 1.00 98.62 16 A 1 ATOM 126 C CA . ILE A 1 16 ? 0.262 6.410 2.791 1.00 98.54 16 A 1 ATOM 127 C C . ILE A 1 16 ? -0.007 7.136 1.467 1.00 98.65 16 A 1 ATOM 128 O O . ILE A 1 16 ? -0.079 8.368 1.450 1.00 98.54 16 A 1 ATOM 129 C CB . ILE A 1 16 ? 1.716 5.903 2.875 1.00 98.34 16 A 1 ATOM 130 C CG1 . ILE A 1 16 ? 2.042 5.437 4.315 1.00 97.37 16 A 1 ATOM 131 C CG2 . ILE A 1 16 ? 2.714 7.002 2.454 1.00 97.28 16 A 1 ATOM 132 C CD1 . ILE A 1 16 ? 3.326 4.612 4.417 1.00 94.79 16 A 1 ATOM 133 N N . ALA A 1 17 ? -0.189 6.395 0.376 1.00 98.71 17 A 1 ATOM 134 C CA . ALA A 1 17 ? -0.489 6.977 -0.927 1.00 98.67 17 A 1 ATOM 135 C C . ALA A 1 17 ? -1.806 7.769 -0.909 1.00 98.75 17 A 1 ATOM 136 O O . ALA A 1 17 ? -1.859 8.882 -1.433 1.00 98.55 17 A 1 ATOM 137 C CB . ALA A 1 17 ? -0.521 5.849 -1.968 1.00 98.46 17 A 1 ATOM 138 N N . THR A 1 18 ? -2.842 7.239 -0.264 1.00 98.65 18 A 1 ATOM 139 C CA . THR A 1 18 ? -4.145 7.904 -0.141 1.00 98.62 18 A 1 ATOM 140 C C . THR A 1 18 ? -4.037 9.193 0.672 1.00 98.69 18 A 1 ATOM 141 O O . THR A 1 18 ? -4.491 10.241 0.217 1.00 98.43 18 A 1 ATOM 142 C CB . THR A 1 18 ? -5.179 6.965 0.497 1.00 98.35 18 A 1 ATOM 143 O OG1 . THR A 1 18 ? -5.277 5.766 -0.238 1.00 92.69 18 A 1 ATOM 144 C CG2 . THR A 1 18 ? -6.578 7.584 0.520 1.00 91.21 18 A 1 ATOM 145 N N . VAL A 1 19 ? -3.404 9.139 1.835 1.00 98.76 19 A 1 ATOM 146 C CA . VAL A 1 19 ? -3.204 10.325 2.682 1.00 98.71 19 A 1 ATOM 147 C C . VAL A 1 19 ? -2.377 11.381 1.951 1.00 98.76 19 A 1 ATOM 148 O O . VAL A 1 19 ? -2.733 12.560 1.976 1.00 98.49 19 A 1 ATOM 149 C CB . VAL A 1 19 ? -2.548 9.935 4.021 1.00 98.39 19 A 1 ATOM 150 C CG1 . VAL A 1 19 ? -2.163 11.158 4.857 1.00 96.64 19 A 1 ATOM 151 C CG2 . VAL A 1 19 ? -3.507 9.093 4.864 1.00 97.13 19 A 1 ATOM 152 N N . SER A 1 20 ? -1.322 10.969 1.254 1.00 98.70 20 A 1 ATOM 153 C CA . SER A 1 20 ? -0.485 11.884 0.475 1.00 98.61 20 A 1 ATOM 154 C C . SER A 1 20 ? -1.269 12.534 -0.668 1.00 98.67 20 A 1 ATOM 155 O O . SER A 1 20 ? -1.144 13.735 -0.879 1.00 98.35 20 A 1 ATOM 156 C CB . SER A 1 20 ? 0.739 11.159 -0.092 1.00 98.18 20 A 1 ATOM 157 O OG . SER A 1 20 ? 1.509 10.579 0.945 1.00 84.55 20 A 1 ATOM 158 N N . ALA A 1 21 ? -2.104 11.771 -1.374 1.00 98.82 21 A 1 ATOM 159 C CA . ALA A 1 21 ? -2.946 12.309 -2.437 1.00 98.79 21 A 1 ATOM 160 C C . ALA A 1 21 ? -3.959 13.332 -1.902 1.00 98.83 21 A 1 ATOM 161 O O . ALA A 1 21 ? -4.116 14.392 -2.500 1.00 98.62 21 A 1 ATOM 162 C CB . ALA A 1 21 ? -3.636 11.145 -3.156 1.00 98.59 21 A 1 ATOM 163 N N . VAL A 1 22 ? -4.602 13.054 -0.765 1.00 98.85 22 A 1 ATOM 164 C CA . VAL A 1 22 ? -5.537 13.990 -0.117 1.00 98.79 22 A 1 ATOM 165 C C . VAL A 1 22 ? -4.822 15.251 0.368 1.00 98.81 22 A 1 ATOM 166 O O . VAL A 1 22 ? -5.352 16.344 0.208 1.00 98.54 22 A 1 ATOM 167 C CB . VAL A 1 22 ? -6.281 13.299 1.041 1.00 98.51 22 A 1 ATOM 168 C CG1 . VAL A 1 22 ? -7.147 14.267 1.849 1.00 96.39 22 A 1 ATOM 169 C CG2 . VAL A 1 22 ? -7.210 12.204 0.504 1.00 96.82 22 A 1 ATOM 170 N N . ALA A 1 23 ? -3.620 15.118 0.914 1.00 98.61 23 A 1 ATOM 171 C CA . ALA A 1 23 ? -2.849 16.265 1.398 1.00 98.47 23 A 1 ATOM 172 C C . ALA A 1 23 ? -2.356 17.193 0.273 1.00 98.47 23 A 1 ATOM 173 O O . ALA A 1 23 ? -2.045 18.354 0.540 1.00 97.89 23 A 1 ATOM 174 C CB . ALA A 1 23 ? -1.672 15.730 2.226 1.00 98.09 23 A 1 ATOM 175 N N . LEU A 1 24 ? -2.256 16.682 -0.954 1.00 98.30 24 A 1 ATOM 176 C CA . LEU A 1 24 ? -1.815 17.433 -2.132 1.00 98.11 24 A 1 ATOM 177 C C . LEU A 1 24 ? -2.981 17.972 -2.969 1.00 98.12 24 A 1 ATOM 178 O O . LEU A 1 24 ? -2.728 18.722 -3.916 1.00 97.10 24 A 1 ATOM 179 C CB . LEU A 1 24 ? -0.901 16.530 -2.985 1.00 97.40 24 A 1 ATOM 180 C CG . LEU A 1 24 ? 0.449 16.169 -2.335 1.00 92.34 24 A 1 ATOM 181 C CD1 . LEU A 1 24 ? 1.164 15.123 -3.191 1.00 87.67 24 A 1 ATOM 182 C CD2 . LEU A 1 24 ? 1.366 17.383 -2.206 1.00 85.93 24 A 1 ATOM 183 N N . ALA A 1 25 ? -4.218 17.578 -2.650 1.00 96.24 25 A 1 ATOM 184 C CA . ALA A 1 25 ? -5.421 17.993 -3.378 1.00 94.22 25 A 1 ATOM 185 C C . ALA A 1 25 ? -6.011 19.284 -2.805 1.00 91.40 25 A 1 ATOM 186 O O . ALA A 1 25 ? -6.505 20.106 -3.612 1.00 87.28 25 A 1 ATOM 187 C CB . ALA A 1 25 ? -6.432 16.840 -3.347 1.00 91.32 25 A 1 ATOM 188 O OXT . ALA A 1 25 ? -6.006 19.441 -1.554 1.00 81.76 25 A 1 #