# 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_spkb14509 # _entry.id spkb14509 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 GLU 2 1 n ALA 3 1 n ALA 4 1 n PRO 5 1 n SER 6 1 n ARG 7 1 n PHE 8 1 n MET 9 1 n PHE 10 1 n LEU 11 1 n LEU 12 1 n PHE 13 1 n LEU 14 1 n LEU 15 1 n THR 16 1 n CYS 17 1 n GLU 18 1 n LEU 19 1 n ALA 20 1 n ALA 21 1 n GLU 22 1 n VAL 23 1 n ALA 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 @ 2025-07-07 17:46:43)" _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 89.64 _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 68.09 1 1 A GLU 2 2 63.53 1 2 A ALA 3 2 77.71 1 3 A ALA 4 2 84.49 1 4 A PRO 5 2 86.78 1 5 A SER 6 2 89.94 1 6 A ARG 7 2 84.92 1 7 A PHE 8 2 92.81 1 8 A MET 9 2 90.31 1 9 A PHE 10 2 94.38 1 10 A LEU 11 2 93.39 1 11 A LEU 12 2 93.68 1 12 A PHE 13 2 94.83 1 13 A LEU 14 2 95.66 1 14 A LEU 15 2 94.70 1 15 A THR 16 2 95.82 1 16 A CYS 17 2 97.01 1 17 A GLU 18 2 89.63 1 18 A LEU 19 2 94.40 1 19 A ALA 20 2 97.61 1 20 A ALA 21 2 97.54 1 21 A GLU 22 2 89.77 1 22 A VAL 23 2 95.16 1 23 A ALA 24 2 94.83 1 24 A ALA 25 2 88.11 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 GLU . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n ALA . 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 ? 10.547 2.772 15.649 1.00 74.63 1 A 1 ATOM 2 C CA . MET A 1 1 ? 9.070 2.836 15.721 1.00 75.52 1 A 1 ATOM 3 C C . MET A 1 1 ? 8.539 1.784 14.760 1.00 78.03 1 A 1 ATOM 4 O O . MET A 1 1 ? 8.602 2.004 13.556 1.00 72.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? 8.539 4.228 15.343 1.00 69.38 1 A 1 ATOM 6 C CG . MET A 1 1 ? 8.722 5.253 16.470 1.00 63.37 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.181 6.919 15.975 1.00 58.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.337 7.796 17.536 1.00 53.15 1 A 1 ATOM 9 N N . GLU A 1 2 ? 8.130 0.611 15.254 1.00 69.70 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 7.475 -0.397 14.421 1.00 72.26 2 A 1 ATOM 11 C C . GLU A 1 2 ? 6.143 0.182 13.945 1.00 72.68 2 A 1 ATOM 12 O O . GLU A 1 2 ? 5.259 0.492 14.746 1.00 68.73 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 7.272 -1.695 15.202 1.00 66.63 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 8.576 -2.489 15.318 1.00 58.61 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 8.368 -3.741 16.152 1.00 56.08 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 8.376 -4.835 15.562 1.00 52.83 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 8.186 -3.575 17.378 1.00 54.24 2 A 1 ATOM 18 N N . ALA A 1 3 ? 5.997 0.405 12.637 1.00 76.68 3 A 1 ATOM 19 C CA . ALA A 1 3 ? 4.689 0.664 12.062 1.00 79.44 3 A 1 ATOM 20 C C . ALA A 1 3 ? 3.819 -0.555 12.380 1.00 82.64 3 A 1 ATOM 21 O O . ALA A 1 3 ? 4.176 -1.677 12.024 1.00 77.06 3 A 1 ATOM 22 C CB . ALA A 1 3 ? 4.834 0.907 10.562 1.00 72.75 3 A 1 ATOM 23 N N . ALA A 1 4 ? 2.717 -0.344 13.090 1.00 82.44 4 A 1 ATOM 24 C CA . ALA A 1 4 ? 1.823 -1.439 13.435 1.00 86.25 4 A 1 ATOM 25 C C . ALA A 1 4 ? 1.467 -2.214 12.153 1.00 88.66 4 A 1 ATOM 26 O O . ALA A 1 4 ? 1.145 -1.573 11.142 1.00 85.05 4 A 1 ATOM 27 C CB . ALA A 1 4 ? 0.587 -0.867 14.134 1.00 80.07 4 A 1 ATOM 28 N N . PRO A 1 5 ? 1.518 -3.558 12.153 1.00 88.35 5 A 1 ATOM 29 C CA . PRO A 1 5 ? 1.328 -4.360 10.941 1.00 91.20 5 A 1 ATOM 30 C C . PRO A 1 5 ? 0.013 -4.039 10.221 1.00 93.02 5 A 1 ATOM 31 O O . PRO A 1 5 ? -0.046 -4.076 8.993 1.00 88.58 5 A 1 ATOM 32 C CB . PRO A 1 5 ? 1.405 -5.820 11.409 1.00 86.42 5 A 1 ATOM 33 C CG . PRO A 1 5 ? 1.216 -5.753 12.920 1.00 78.45 5 A 1 ATOM 34 C CD . PRO A 1 5 ? 1.789 -4.403 13.293 1.00 81.45 5 A 1 ATOM 35 N N . SER A 1 6 ? -1.014 -3.610 10.949 1.00 91.62 6 A 1 ATOM 36 C CA . SER A 1 6 ? -2.284 -3.133 10.391 1.00 93.94 6 A 1 ATOM 37 C C . SER A 1 6 ? -2.144 -1.875 9.522 1.00 94.72 6 A 1 ATOM 38 O O . SER A 1 6 ? -2.803 -1.769 8.489 1.00 92.24 6 A 1 ATOM 39 C CB . SER A 1 6 ? -3.260 -2.855 11.533 1.00 90.87 6 A 1 ATOM 40 O OG . SER A 1 6 ? -2.705 -1.926 12.453 1.00 76.27 6 A 1 ATOM 41 N N . ARG A 1 7 ? -1.265 -0.927 9.893 1.00 93.58 7 A 1 ATOM 42 C CA . ARG A 1 7 ? -1.016 0.286 9.100 1.00 95.41 7 A 1 ATOM 43 C C . ARG A 1 7 ? -0.263 -0.041 7.819 1.00 96.36 7 A 1 ATOM 44 O O . ARG A 1 7 ? -0.594 0.511 6.776 1.00 95.94 7 A 1 ATOM 45 C CB . ARG A 1 7 ? -0.236 1.334 9.902 1.00 94.81 7 A 1 ATOM 46 C CG . ARG A 1 7 ? -1.062 1.931 11.038 1.00 87.60 7 A 1 ATOM 47 C CD . ARG A 1 7 ? -0.266 3.041 11.719 1.00 84.34 7 A 1 ATOM 48 N NE . ARG A 1 7 ? -1.023 3.639 12.830 1.00 77.63 7 A 1 ATOM 49 C CZ . ARG A 1 7 ? -0.658 4.702 13.527 1.00 73.84 7 A 1 ATOM 50 N NH1 . ARG A 1 7 ? 0.458 5.334 13.279 1.00 67.37 7 A 1 ATOM 51 N NH2 . ARG A 1 7 ? -1.419 5.149 14.485 1.00 67.20 7 A 1 ATOM 52 N N . PHE A 1 8 ? 0.708 -0.949 7.878 1.00 94.93 8 A 1 ATOM 53 C CA . PHE A 1 8 ? 1.427 -1.407 6.696 1.00 95.95 8 A 1 ATOM 54 C C . PHE A 1 8 ? 0.478 -2.090 5.699 1.00 96.82 8 A 1 ATOM 55 O O . PHE A 1 8 ? 0.477 -1.743 4.523 1.00 96.83 8 A 1 ATOM 56 C CB . PHE A 1 8 ? 2.565 -2.337 7.119 1.00 95.60 8 A 1 ATOM 57 C CG . PHE A 1 8 ? 3.326 -2.885 5.938 1.00 93.75 8 A 1 ATOM 58 C CD1 . PHE A 1 8 ? 3.034 -4.164 5.438 1.00 91.02 8 A 1 ATOM 59 C CD2 . PHE A 1 8 ? 4.289 -2.092 5.294 1.00 90.46 8 A 1 ATOM 60 C CE1 . PHE A 1 8 ? 3.702 -4.650 4.307 1.00 88.90 8 A 1 ATOM 61 C CE2 . PHE A 1 8 ? 4.957 -2.576 4.158 1.00 88.34 8 A 1 ATOM 62 C CZ . PHE A 1 8 ? 4.663 -3.854 3.667 1.00 88.36 8 A 1 ATOM 63 N N . MET A 1 9 ? -0.381 -2.981 6.163 1.00 95.86 9 A 1 ATOM 64 C CA . MET A 1 9 ? -1.372 -3.653 5.315 1.00 96.41 9 A 1 ATOM 65 C C . MET A 1 9 ? -2.369 -2.671 4.692 1.00 97.06 9 A 1 ATOM 66 O O . MET A 1 9 ? -2.711 -2.807 3.522 1.00 96.98 9 A 1 ATOM 67 C CB . MET A 1 9 ? -2.113 -4.720 6.131 1.00 95.83 9 A 1 ATOM 68 C CG . MET A 1 9 ? -1.206 -5.924 6.424 1.00 87.70 9 A 1 ATOM 69 S SD . MET A 1 9 ? -0.696 -6.823 4.937 1.00 81.23 9 A 1 ATOM 70 C CE . MET A 1 9 ? 0.467 -7.993 5.657 1.00 71.43 9 A 1 ATOM 71 N N . PHE A 1 10 ? -2.791 -1.637 5.428 1.00 95.83 10 A 1 ATOM 72 C CA . PHE A 1 10 ? -3.661 -0.586 4.901 1.00 96.35 10 A 1 ATOM 73 C C . PHE A 1 10 ? -2.983 0.215 3.780 1.00 97.14 10 A 1 ATOM 74 O O . PHE A 1 10 ? -3.595 0.438 2.735 1.00 97.11 10 A 1 ATOM 75 C CB . PHE A 1 10 ? -4.099 0.322 6.051 1.00 96.19 10 A 1 ATOM 76 C CG . PHE A 1 10 ? -4.992 1.455 5.600 1.00 94.97 10 A 1 ATOM 77 C CD1 . PHE A 1 10 ? -4.492 2.767 5.508 1.00 92.99 10 A 1 ATOM 78 C CD2 . PHE A 1 10 ? -6.319 1.190 5.232 1.00 92.93 10 A 1 ATOM 79 C CE1 . PHE A 1 10 ? -5.317 3.810 5.064 1.00 91.69 10 A 1 ATOM 80 C CE2 . PHE A 1 10 ? -7.143 2.232 4.780 1.00 91.35 10 A 1 ATOM 81 C CZ . PHE A 1 10 ? -6.642 3.540 4.699 1.00 91.68 10 A 1 ATOM 82 N N . LEU A 1 11 ? -1.717 0.597 3.951 1.00 96.44 11 A 1 ATOM 83 C CA . LEU A 1 11 ? -0.961 1.303 2.915 1.00 96.54 11 A 1 ATOM 84 C C . LEU A 1 11 ? -0.751 0.431 1.672 1.00 97.14 11 A 1 ATOM 85 O O . LEU A 1 11 ? -0.902 0.917 0.555 1.00 97.16 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 0.391 1.759 3.482 1.00 96.33 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 0.302 2.895 4.510 1.00 88.82 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 1.678 3.125 5.130 1.00 86.84 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -0.174 4.208 3.885 1.00 87.88 11 A 1 ATOM 90 N N . LEU A 1 12 ? -0.457 -0.849 1.850 1.00 96.63 12 A 1 ATOM 91 C CA . LEU A 1 12 ? -0.324 -1.799 0.747 1.00 96.78 12 A 1 ATOM 92 C C . LEU A 1 12 ? -1.645 -1.955 -0.023 1.00 97.23 12 A 1 ATOM 93 O O . LEU A 1 12 ? -1.643 -2.005 -1.249 1.00 97.19 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 0.164 -3.140 1.314 1.00 96.24 12 A 1 ATOM 95 C CG . LEU A 1 12 ? 0.486 -4.175 0.231 1.00 89.19 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? 1.682 -3.761 -0.628 1.00 87.62 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? 0.809 -5.512 0.895 1.00 88.53 12 A 1 ATOM 98 N N . PHE A 1 13 ? -2.777 -1.994 0.678 1.00 96.79 13 A 1 ATOM 99 C CA . PHE A 1 13 ? -4.107 -2.021 0.073 1.00 97.03 13 A 1 ATOM 100 C C . PHE A 1 13 ? -4.372 -0.768 -0.775 1.00 97.42 13 A 1 ATOM 101 O O . PHE A 1 13 ? -4.779 -0.900 -1.930 1.00 97.21 13 A 1 ATOM 102 C CB . PHE A 1 13 ? -5.158 -2.190 1.178 1.00 96.88 13 A 1 ATOM 103 C CG . PHE A 1 13 ? -6.573 -2.084 0.659 1.00 95.41 13 A 1 ATOM 104 C CD1 . PHE A 1 13 ? -7.295 -0.887 0.812 1.00 93.40 13 A 1 ATOM 105 C CD2 . PHE A 1 13 ? -7.150 -3.167 -0.021 1.00 93.34 13 A 1 ATOM 106 C CE1 . PHE A 1 13 ? -8.590 -0.775 0.290 1.00 91.84 13 A 1 ATOM 107 C CE2 . PHE A 1 13 ? -8.445 -3.052 -0.548 1.00 91.88 13 A 1 ATOM 108 C CZ . PHE A 1 13 ? -9.165 -1.858 -0.394 1.00 91.98 13 A 1 ATOM 109 N N . LEU A 1 14 ? -4.080 0.431 -0.250 1.00 97.33 14 A 1 ATOM 110 C CA . LEU A 1 14 ? -4.243 1.682 -0.994 1.00 97.28 14 A 1 ATOM 111 C C . LEU A 1 14 ? -3.386 1.702 -2.262 1.00 97.48 14 A 1 ATOM 112 O O . LEU A 1 14 ? -3.917 1.982 -3.336 1.00 97.07 14 A 1 ATOM 113 C CB . LEU A 1 14 ? -3.893 2.882 -0.099 1.00 96.98 14 A 1 ATOM 114 C CG . LEU A 1 14 ? -4.905 3.190 1.012 1.00 94.36 14 A 1 ATOM 115 C CD1 . LEU A 1 14 ? -4.388 4.387 1.814 1.00 92.45 14 A 1 ATOM 116 C CD2 . LEU A 1 14 ? -6.295 3.523 0.475 1.00 92.34 14 A 1 ATOM 117 N N . LEU A 1 15 ? -2.114 1.316 -2.162 1.00 97.43 15 A 1 ATOM 118 C CA . LEU A 1 15 ? -1.214 1.232 -3.311 1.00 97.36 15 A 1 ATOM 119 C C . LEU A 1 15 ? -1.743 0.267 -4.379 1.00 97.74 15 A 1 ATOM 120 O O . LEU A 1 15 ? -1.673 0.549 -5.572 1.00 97.24 15 A 1 ATOM 121 C CB . LEU A 1 15 ? 0.170 0.797 -2.801 1.00 97.05 15 A 1 ATOM 122 C CG . LEU A 1 15 ? 1.240 0.711 -3.898 1.00 91.70 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? 1.542 2.077 -4.510 1.00 89.02 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? 2.528 0.140 -3.314 1.00 90.06 15 A 1 ATOM 125 N N . THR A 1 16 ? -2.291 -0.864 -3.966 1.00 97.69 16 A 1 ATOM 126 C CA . THR A 1 16 ? -2.884 -1.840 -4.890 1.00 97.75 16 A 1 ATOM 127 C C . THR A 1 16 ? -4.121 -1.266 -5.592 1.00 97.87 16 A 1 ATOM 128 O O . THR A 1 16 ? -4.307 -1.500 -6.786 1.00 97.30 16 A 1 ATOM 129 C CB . THR A 1 16 ? -3.250 -3.137 -4.152 1.00 96.93 16 A 1 ATOM 130 O OG1 . THR A 1 16 ? -2.129 -3.663 -3.468 1.00 92.03 16 A 1 ATOM 131 C CG2 . THR A 1 16 ? -3.714 -4.233 -5.114 1.00 91.19 16 A 1 ATOM 132 N N . CYS A 1 17 ? -4.953 -0.498 -4.885 1.00 97.86 17 A 1 ATOM 133 C CA . CYS A 1 17 ? -6.117 0.163 -5.474 1.00 97.83 17 A 1 ATOM 134 C C . CYS A 1 17 ? -5.713 1.238 -6.496 1.00 97.68 17 A 1 ATOM 135 O O . CYS A 1 17 ? -6.315 1.300 -7.563 1.00 96.72 17 A 1 ATOM 136 C CB . CYS A 1 17 ? -6.976 0.781 -4.363 1.00 97.48 17 A 1 ATOM 137 S SG . CYS A 1 17 ? -7.792 -0.513 -3.389 1.00 94.46 17 A 1 ATOM 138 N N . GLU A 1 18 ? -4.698 2.044 -6.199 1.00 97.20 18 A 1 ATOM 139 C CA . GLU A 1 18 ? -4.171 3.058 -7.120 1.00 97.33 18 A 1 ATOM 140 C C . GLU A 1 18 ? -3.609 2.407 -8.389 1.00 97.64 18 A 1 ATOM 141 O O . GLU A 1 18 ? -4.018 2.763 -9.496 1.00 97.05 18 A 1 ATOM 142 C CB . GLU A 1 18 ? -3.099 3.910 -6.414 1.00 96.89 18 A 1 ATOM 143 C CG . GLU A 1 18 ? -3.722 4.871 -5.392 1.00 87.17 18 A 1 ATOM 144 C CD . GLU A 1 18 ? -2.683 5.732 -4.648 1.00 82.95 18 A 1 ATOM 145 O OE1 . GLU A 1 18 ? -3.106 6.752 -4.054 1.00 74.64 18 A 1 ATOM 146 O OE2 . GLU A 1 18 ? -1.491 5.352 -4.612 1.00 75.81 18 A 1 ATOM 147 N N . LEU A 1 19 ? -2.778 1.377 -8.245 1.00 97.86 19 A 1 ATOM 148 C CA . LEU A 1 19 ? -2.232 0.638 -9.380 1.00 97.78 19 A 1 ATOM 149 C C . LEU A 1 19 ? -3.336 -0.004 -10.238 1.00 98.00 19 A 1 ATOM 150 O O . LEU A 1 19 ? -3.272 0.032 -11.466 1.00 97.64 19 A 1 ATOM 151 C CB . LEU A 1 19 ? -1.262 -0.424 -8.835 1.00 97.34 19 A 1 ATOM 152 C CG . LEU A 1 19 ? -0.438 -1.100 -9.936 1.00 91.12 19 A 1 ATOM 153 C CD1 . LEU A 1 19 ? 0.663 -0.183 -10.459 1.00 87.14 19 A 1 ATOM 154 C CD2 . LEU A 1 19 ? 0.217 -2.370 -9.390 1.00 88.35 19 A 1 ATOM 155 N N . ALA A 1 20 ? -4.356 -0.580 -9.610 1.00 97.91 20 A 1 ATOM 156 C CA . ALA A 1 20 ? -5.484 -1.168 -10.327 1.00 97.80 20 A 1 ATOM 157 C C . ALA A 1 20 ? -6.303 -0.108 -11.087 1.00 97.83 20 A 1 ATOM 158 O O . ALA A 1 20 ? -6.775 -0.388 -12.190 1.00 97.27 20 A 1 ATOM 159 C CB . ALA A 1 20 ? -6.357 -1.944 -9.330 1.00 97.25 20 A 1 ATOM 160 N N . ALA A 1 21 ? -6.456 1.095 -10.526 1.00 97.93 21 A 1 ATOM 161 C CA . ALA A 1 21 ? -7.140 2.197 -11.192 1.00 97.84 21 A 1 ATOM 162 C C . ALA A 1 21 ? -6.350 2.704 -12.411 1.00 97.81 21 A 1 ATOM 163 O O . ALA A 1 21 ? -6.956 2.942 -13.455 1.00 96.93 21 A 1 ATOM 164 C CB . ALA A 1 21 ? -7.406 3.306 -10.168 1.00 97.19 21 A 1 ATOM 165 N N . GLU A 1 22 ? -5.020 2.797 -12.326 1.00 96.83 22 A 1 ATOM 166 C CA . GLU A 1 22 ? -4.166 3.181 -13.455 1.00 96.82 22 A 1 ATOM 167 C C . GLU A 1 22 ? -4.204 2.157 -14.601 1.00 97.03 22 A 1 ATOM 168 O O . GLU A 1 22 ? -4.273 2.537 -15.765 1.00 95.67 22 A 1 ATOM 169 C CB . GLU A 1 22 ? -2.715 3.359 -12.990 1.00 96.14 22 A 1 ATOM 170 C CG . GLU A 1 22 ? -2.515 4.623 -12.142 1.00 87.54 22 A 1 ATOM 171 C CD . GLU A 1 22 ? -1.027 4.905 -11.869 1.00 82.98 22 A 1 ATOM 172 O OE1 . GLU A 1 22 ? -0.710 6.079 -11.578 1.00 76.71 22 A 1 ATOM 173 O OE2 . GLU A 1 22 ? -0.200 3.958 -11.956 1.00 78.25 22 A 1 ATOM 174 N N . VAL A 1 23 ? -4.189 0.865 -14.287 1.00 97.40 23 A 1 ATOM 175 C CA . VAL A 1 23 ? -4.251 -0.209 -15.295 1.00 97.20 23 A 1 ATOM 176 C C . VAL A 1 23 ? -5.633 -0.301 -15.961 1.00 97.21 23 A 1 ATOM 177 O O . VAL A 1 23 ? -5.737 -0.765 -17.100 1.00 96.25 23 A 1 ATOM 178 C CB . VAL A 1 23 ? -3.838 -1.552 -14.655 1.00 96.30 23 A 1 ATOM 179 C CG1 . VAL A 1 23 ? -4.010 -2.750 -15.588 1.00 90.97 23 A 1 ATOM 180 C CG2 . VAL A 1 23 ? -2.359 -1.522 -14.255 1.00 90.80 23 A 1 ATOM 181 N N . ALA A 1 24 ? -6.699 0.107 -15.266 1.00 96.22 24 A 1 ATOM 182 C CA . ALA A 1 24 ? -8.073 0.080 -15.769 1.00 95.55 24 A 1 ATOM 183 C C . ALA A 1 24 ? -8.482 1.357 -16.541 1.00 94.91 24 A 1 ATOM 184 O O . ALA A 1 24 ? -9.603 1.400 -17.059 1.00 93.06 24 A 1 ATOM 185 C CB . ALA A 1 24 ? -9.011 -0.205 -14.582 1.00 94.40 24 A 1 ATOM 186 N N . ALA A 1 25 ? -7.630 2.388 -16.580 1.00 94.62 25 A 1 ATOM 187 C CA . ALA A 1 25 ? -7.867 3.646 -17.280 1.00 93.27 25 A 1 ATOM 188 C C . ALA A 1 25 ? -7.501 3.581 -18.769 1.00 89.14 25 A 1 ATOM 189 O O . ALA A 1 25 ? -6.586 2.824 -19.142 1.00 83.81 25 A 1 ATOM 190 C CB . ALA A 1 25 ? -7.132 4.768 -16.539 1.00 89.55 25 A 1 ATOM 191 O OXT . ALA A 1 25 ? -8.135 4.327 -19.555 1.00 78.30 25 A 1 #