# 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_spkb23483 # _entry.id spkb23483 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "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 GLY 2 1 n ALA 3 1 n VAL 4 1 n GLY 5 1 n ILE 6 1 n PRO 7 1 n LEU 8 1 n THR 9 1 n ALA 10 1 n HIS 11 1 n CYS 12 1 n VAL 13 1 n VAL 14 1 n LEU 15 1 n PHE 16 1 n LEU 17 1 n LEU 18 1 n GLN 19 1 n MET 20 1 n VAL 21 1 n ALA 22 1 n LEU 23 1 n SER 24 # _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 15:27:24)" _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 91.87 _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 68.87 1 1 A GLY 2 2 74.49 1 2 A ALA 3 2 79.02 1 3 A VAL 4 2 84.71 1 4 A GLY 5 2 88.62 1 5 A ILE 6 2 89.47 1 6 A PRO 7 2 92.98 1 7 A LEU 8 2 92.18 1 8 A THR 9 2 94.66 1 9 A ALA 10 2 97.08 1 10 A HIS 11 2 91.33 1 11 A CYS 12 2 95.86 1 12 A VAL 13 2 96.99 1 13 A VAL 14 2 96.77 1 14 A LEU 15 2 95.04 1 15 A PHE 16 2 95.12 1 16 A LEU 17 2 96.12 1 17 A LEU 18 2 96.21 1 18 A GLN 19 2 94.22 1 19 A MET 20 2 94.22 1 20 A VAL 21 2 97.73 1 21 A ALA 22 2 98.27 1 22 A LEU 23 2 94.91 1 23 A SER 24 2 90.15 1 24 # _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 GLY . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n HIS . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -18.017 6.597 3.603 1.00 72.95 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.942 5.858 2.914 1.00 74.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.025 6.135 1.425 1.00 75.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -18.087 5.961 0.850 1.00 69.65 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.075 4.352 3.153 1.00 69.64 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.613 3.954 4.546 1.00 67.17 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.844 2.200 4.850 1.00 64.03 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.957 2.034 6.399 1.00 56.87 1 A 1 ATOM 9 N N . GLY A 1 2 ? -15.947 6.576 0.843 1.00 74.04 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -15.924 6.927 -0.576 1.00 75.21 2 A 1 ATOM 11 C C . GLY A 1 2 ? -15.331 8.295 -0.842 1.00 76.53 2 A 1 ATOM 12 O O . GLY A 1 2 ? -15.134 8.668 -1.991 1.00 72.18 2 A 1 ATOM 13 N N . ALA A 1 3 ? -15.014 9.039 0.209 1.00 77.16 3 A 1 ATOM 14 C CA . ALA A 1 3 ? -14.399 10.361 0.088 1.00 81.07 3 A 1 ATOM 15 C C . ALA A 1 3 ? -12.869 10.279 0.003 1.00 83.35 3 A 1 ATOM 16 O O . ALA A 1 3 ? -12.175 11.280 0.163 1.00 78.05 3 A 1 ATOM 17 C CB . ALA A 1 3 ? -14.846 11.235 1.256 1.00 75.47 3 A 1 ATOM 18 N N . VAL A 1 4 ? -12.351 9.096 -0.212 1.00 87.63 4 A 1 ATOM 19 C CA . VAL A 1 4 ? -10.908 8.879 -0.302 1.00 88.98 4 A 1 ATOM 20 C C . VAL A 1 4 ? -10.394 9.385 -1.642 1.00 90.50 4 A 1 ATOM 21 O O . VAL A 1 4 ? -10.785 8.887 -2.692 1.00 86.22 4 A 1 ATOM 22 C CB . VAL A 1 4 ? -10.567 7.396 -0.102 1.00 85.15 4 A 1 ATOM 23 C CG1 . VAL A 1 4 ? -9.096 7.114 -0.385 1.00 76.83 4 A 1 ATOM 24 C CG2 . VAL A 1 4 ? -10.883 6.987 1.323 1.00 77.69 4 A 1 ATOM 25 N N . GLY A 1 5 ? -9.545 10.372 -1.596 1.00 87.92 5 A 1 ATOM 26 C CA . GLY A 1 5 ? -8.928 10.945 -2.790 1.00 88.64 5 A 1 ATOM 27 C C . GLY A 1 5 ? -7.506 10.453 -3.002 1.00 90.47 5 A 1 ATOM 28 O O . GLY A 1 5 ? -6.755 11.039 -3.776 1.00 87.47 5 A 1 ATOM 29 N N . ILE A 1 6 ? -7.123 9.399 -2.305 1.00 92.66 6 A 1 ATOM 30 C CA . ILE A 1 6 ? -5.775 8.851 -2.400 1.00 93.09 6 A 1 ATOM 31 C C . ILE A 1 6 ? -5.711 7.870 -3.565 1.00 94.38 6 A 1 ATOM 32 O O . ILE A 1 6 ? -6.455 6.889 -3.584 1.00 94.07 6 A 1 ATOM 33 C CB . ILE A 1 6 ? -5.351 8.177 -1.090 1.00 91.88 6 A 1 ATOM 34 C CG1 . ILE A 1 6 ? -5.428 9.164 0.082 1.00 86.76 6 A 1 ATOM 35 C CG2 . ILE A 1 6 ? -3.928 7.626 -1.221 1.00 84.94 6 A 1 ATOM 36 C CD1 . ILE A 1 6 ? -5.275 8.506 1.443 1.00 78.01 6 A 1 ATOM 37 N N . PRO A 1 7 ? -4.838 8.112 -4.521 1.00 94.26 7 A 1 ATOM 38 C CA . PRO A 1 7 ? -4.678 7.207 -5.652 1.00 94.92 7 A 1 ATOM 39 C C . PRO A 1 7 ? -4.067 5.876 -5.214 1.00 95.70 7 A 1 ATOM 40 O O . PRO A 1 7 ? -3.287 5.819 -4.267 1.00 93.96 7 A 1 ATOM 41 C CB . PRO A 1 7 ? -3.771 7.966 -6.621 1.00 92.32 7 A 1 ATOM 42 C CG . PRO A 1 7 ? -3.008 8.925 -5.756 1.00 88.07 7 A 1 ATOM 43 C CD . PRO A 1 7 ? -3.948 9.252 -4.610 1.00 91.62 7 A 1 ATOM 44 N N . LEU A 1 8 ? -4.405 4.816 -5.925 1.00 95.97 8 A 1 ATOM 45 C CA . LEU A 1 8 ? -3.897 3.472 -5.639 1.00 95.97 8 A 1 ATOM 46 C C . LEU A 1 8 ? -2.371 3.433 -5.649 1.00 96.75 8 A 1 ATOM 47 O O . LEU A 1 8 ? -1.760 2.765 -4.820 1.00 96.09 8 A 1 ATOM 48 C CB . LEU A 1 8 ? -4.460 2.499 -6.676 1.00 94.91 8 A 1 ATOM 49 C CG . LEU A 1 8 ? -5.802 1.905 -6.255 1.00 88.37 8 A 1 ATOM 50 C CD1 . LEU A 1 8 ? -6.701 1.694 -7.459 1.00 85.40 8 A 1 ATOM 51 C CD2 . LEU A 1 8 ? -5.579 0.578 -5.544 1.00 84.01 8 A 1 ATOM 52 N N . THR A 1 9 ? -1.775 4.168 -6.565 1.00 96.64 9 A 1 ATOM 53 C CA . THR A 1 9 ? -0.318 4.225 -6.678 1.00 96.85 9 A 1 ATOM 54 C C . THR A 1 9 ? 0.323 4.792 -5.413 1.00 97.35 9 A 1 ATOM 55 O O . THR A 1 9 ? 1.319 4.258 -4.927 1.00 96.90 9 A 1 ATOM 56 C CB . THR A 1 9 ? 0.085 5.029 -7.921 1.00 95.73 9 A 1 ATOM 57 O OG1 . THR A 1 9 ? 1.483 4.907 -8.119 1.00 89.68 9 A 1 ATOM 58 C CG2 . THR A 1 9 ? -0.254 6.508 -7.822 1.00 89.49 9 A 1 ATOM 59 N N . ALA A 1 10 ? -0.272 5.823 -4.847 1.00 97.02 10 A 1 ATOM 60 C CA . ALA A 1 10 ? 0.217 6.409 -3.603 1.00 97.19 10 A 1 ATOM 61 C C . ALA A 1 10 ? -0.005 5.456 -2.431 1.00 97.64 10 A 1 ATOM 62 O O . ALA A 1 10 ? 0.844 5.335 -1.552 1.00 97.15 10 A 1 ATOM 63 C CB . ALA A 1 10 ? -0.478 7.742 -3.359 1.00 96.39 10 A 1 ATOM 64 N N . HIS A 1 11 ? -1.131 4.755 -2.445 1.00 96.63 11 A 1 ATOM 65 C CA . HIS A 1 11 ? -1.429 3.765 -1.416 1.00 96.52 11 A 1 ATOM 66 C C . HIS A 1 11 ? -0.397 2.638 -1.420 1.00 97.43 11 A 1 ATOM 67 O O . HIS A 1 11 ? -0.011 2.137 -0.367 1.00 97.12 11 A 1 ATOM 68 C CB . HIS A 1 11 ? -2.834 3.212 -1.640 1.00 95.51 11 A 1 ATOM 69 C CG . HIS A 1 11 ? -3.331 2.445 -0.459 1.00 92.35 11 A 1 ATOM 70 N ND1 . HIS A 1 11 ? -3.651 1.114 -0.477 1.00 82.90 11 A 1 ATOM 71 C CD2 . HIS A 1 11 ? -3.563 2.881 0.808 1.00 83.99 11 A 1 ATOM 72 C CE1 . HIS A 1 11 ? -4.065 0.769 0.741 1.00 84.77 11 A 1 ATOM 73 N NE2 . HIS A 1 11 ? -4.019 1.814 1.544 1.00 86.11 11 A 1 ATOM 74 N N . CYS A 1 12 ? 0.071 2.272 -2.590 1.00 96.73 12 A 1 ATOM 75 C CA . CYS A 1 12 ? 1.111 1.254 -2.731 1.00 97.34 12 A 1 ATOM 76 C C . CYS A 1 12 ? 2.400 1.686 -2.025 1.00 97.75 12 A 1 ATOM 77 O O . CYS A 1 12 ? 3.046 0.887 -1.353 1.00 97.03 12 A 1 ATOM 78 C CB . CYS A 1 12 ? 1.356 0.997 -4.219 1.00 96.55 12 A 1 ATOM 79 S SG . CYS A 1 12 ? 2.189 -0.582 -4.468 1.00 89.76 12 A 1 ATOM 80 N N . VAL A 1 13 ? 2.744 2.951 -2.140 1.00 97.57 13 A 1 ATOM 81 C CA . VAL A 1 13 ? 3.922 3.508 -1.470 1.00 97.66 13 A 1 ATOM 82 C C . VAL A 1 13 ? 3.756 3.457 0.045 1.00 98.07 13 A 1 ATOM 83 O O . VAL A 1 13 ? 4.690 3.099 0.764 1.00 97.80 13 A 1 ATOM 84 C CB . VAL A 1 13 ? 4.179 4.948 -1.934 1.00 97.15 13 A 1 ATOM 85 C CG1 . VAL A 1 13 ? 5.382 5.550 -1.219 1.00 95.45 13 A 1 ATOM 86 C CG2 . VAL A 1 13 ? 4.417 4.994 -3.436 1.00 95.23 13 A 1 ATOM 87 N N . VAL A 1 14 ? 2.577 3.780 0.514 1.00 97.54 14 A 1 ATOM 88 C CA . VAL A 1 14 ? 2.273 3.724 1.945 1.00 97.34 14 A 1 ATOM 89 C C . VAL A 1 14 ? 2.397 2.297 2.465 1.00 97.73 14 A 1 ATOM 90 O O . VAL A 1 14 ? 2.986 2.068 3.521 1.00 97.49 14 A 1 ATOM 91 C CB . VAL A 1 14 ? 0.870 4.280 2.229 1.00 96.70 14 A 1 ATOM 92 C CG1 . VAL A 1 14 ? 0.511 4.149 3.706 1.00 95.46 14 A 1 ATOM 93 C CG2 . VAL A 1 14 ? 0.787 5.745 1.829 1.00 95.16 14 A 1 ATOM 94 N N . LEU A 1 15 ? 1.870 1.353 1.717 1.00 97.66 15 A 1 ATOM 95 C CA . LEU A 1 15 ? 1.991 -0.059 2.072 1.00 97.36 15 A 1 ATOM 96 C C . LEU A 1 15 ? 3.454 -0.488 2.110 1.00 97.68 15 A 1 ATOM 97 O O . LEU A 1 15 ? 3.867 -1.201 3.019 1.00 97.58 15 A 1 ATOM 98 C CB . LEU A 1 15 ? 1.215 -0.909 1.065 1.00 96.90 15 A 1 ATOM 99 C CG . LEU A 1 15 ? -0.281 -0.984 1.359 1.00 92.03 15 A 1 ATOM 100 C CD1 . LEU A 1 15 ? -1.006 -1.590 0.166 1.00 90.45 15 A 1 ATOM 101 C CD2 . LEU A 1 15 ? -0.552 -1.843 2.594 1.00 90.69 15 A 1 ATOM 102 N N . PHE A 1 16 ? 4.223 -0.028 1.153 1.00 97.42 16 A 1 ATOM 103 C CA . PHE A 1 16 ? 5.649 -0.330 1.099 1.00 97.30 16 A 1 ATOM 104 C C . PHE A 1 16 ? 6.371 0.184 2.346 1.00 97.83 16 A 1 ATOM 105 O O . PHE A 1 16 ? 7.183 -0.529 2.940 1.00 97.73 16 A 1 ATOM 106 C CB . PHE A 1 16 ? 6.235 0.292 -0.162 1.00 97.01 16 A 1 ATOM 107 C CG . PHE A 1 16 ? 7.642 -0.171 -0.434 1.00 95.30 16 A 1 ATOM 108 C CD1 . PHE A 1 16 ? 7.869 -1.433 -0.982 1.00 92.79 16 A 1 ATOM 109 C CD2 . PHE A 1 16 ? 8.720 0.656 -0.140 1.00 93.49 16 A 1 ATOM 110 C CE1 . PHE A 1 16 ? 9.166 -1.868 -1.236 1.00 92.04 16 A 1 ATOM 111 C CE2 . PHE A 1 16 ? 10.026 0.222 -0.390 1.00 92.41 16 A 1 ATOM 112 C CZ . PHE A 1 16 ? 10.248 -1.039 -0.935 1.00 92.96 16 A 1 ATOM 113 N N . LEU A 1 17 ? 6.043 1.396 2.754 1.00 97.61 17 A 1 ATOM 114 C CA . LEU A 1 17 ? 6.597 1.972 3.976 1.00 97.50 17 A 1 ATOM 115 C C . LEU A 1 17 ? 6.204 1.155 5.200 1.00 97.84 17 A 1 ATOM 116 O O . LEU A 1 17 ? 7.042 0.884 6.061 1.00 97.59 17 A 1 ATOM 117 C CB . LEU A 1 17 ? 6.099 3.416 4.117 1.00 97.14 17 A 1 ATOM 118 C CG . LEU A 1 17 ? 7.087 4.432 3.551 1.00 94.98 17 A 1 ATOM 119 C CD1 . LEU A 1 17 ? 6.368 5.719 3.173 1.00 93.07 17 A 1 ATOM 120 C CD2 . LEU A 1 17 ? 8.167 4.740 4.576 1.00 93.19 17 A 1 ATOM 121 N N . LEU A 1 18 ? 4.953 0.747 5.253 1.00 98.12 18 A 1 ATOM 122 C CA . LEU A 1 18 ? 4.459 -0.069 6.355 1.00 97.89 18 A 1 ATOM 123 C C . LEU A 1 18 ? 5.217 -1.391 6.440 1.00 98.05 18 A 1 ATOM 124 O O . LEU A 1 18 ? 5.585 -1.835 7.527 1.00 97.63 18 A 1 ATOM 125 C CB . LEU A 1 18 ? 2.960 -0.321 6.162 1.00 97.41 18 A 1 ATOM 126 C CG . LEU A 1 18 ? 2.275 -0.826 7.432 1.00 95.12 18 A 1 ATOM 127 C CD1 . LEU A 1 18 ? 1.869 0.343 8.327 1.00 92.79 18 A 1 ATOM 128 C CD2 . LEU A 1 18 ? 1.047 -1.647 7.082 1.00 92.70 18 A 1 ATOM 129 N N . GLN A 1 19 ? 5.462 -1.996 5.296 1.00 98.12 19 A 1 ATOM 130 C CA . GLN A 1 19 ? 6.204 -3.252 5.234 1.00 98.08 19 A 1 ATOM 131 C C . GLN A 1 19 ? 7.650 -3.054 5.674 1.00 98.31 19 A 1 ATOM 132 O O . GLN A 1 19 ? 8.206 -3.903 6.364 1.00 97.76 19 A 1 ATOM 133 C CB . GLN A 1 19 ? 6.151 -3.824 3.814 1.00 97.66 19 A 1 ATOM 134 C CG . GLN A 1 19 ? 4.744 -4.256 3.408 1.00 94.58 19 A 1 ATOM 135 C CD . GLN A 1 19 ? 4.176 -5.334 4.322 1.00 92.17 19 A 1 ATOM 136 O OE1 . GLN A 1 19 ? 4.821 -6.335 4.587 1.00 86.61 19 A 1 ATOM 137 N NE2 . GLN A 1 19 ? 2.974 -5.148 4.807 1.00 84.73 19 A 1 ATOM 138 N N . MET A 1 20 ? 8.239 -1.933 5.318 1.00 98.22 20 A 1 ATOM 139 C CA . MET A 1 20 ? 9.598 -1.613 5.754 1.00 98.11 20 A 1 ATOM 140 C C . MET A 1 20 ? 9.680 -1.507 7.275 1.00 98.26 20 A 1 ATOM 141 O O . MET A 1 20 ? 10.597 -2.048 7.882 1.00 97.69 20 A 1 ATOM 142 C CB . MET A 1 20 ? 10.066 -0.308 5.119 1.00 97.56 20 A 1 ATOM 143 C CG . MET A 1 20 ? 10.601 -0.514 3.721 1.00 95.00 20 A 1 ATOM 144 S SD . MET A 1 20 ? 11.974 0.592 3.341 1.00 89.20 20 A 1 ATOM 145 C CE . MET A 1 20 ? 11.194 2.192 3.545 1.00 79.73 20 A 1 ATOM 146 N N . VAL A 1 21 ? 8.712 -0.840 7.871 1.00 98.58 21 A 1 ATOM 147 C CA . VAL A 1 21 ? 8.667 -0.704 9.329 1.00 98.44 21 A 1 ATOM 148 C C . VAL A 1 21 ? 8.469 -2.060 9.992 1.00 98.51 21 A 1 ATOM 149 O O . VAL A 1 21 ? 9.095 -2.349 11.010 1.00 98.17 21 A 1 ATOM 150 C CB . VAL A 1 21 ? 7.556 0.271 9.752 1.00 98.00 21 A 1 ATOM 151 C CG1 . VAL A 1 21 ? 7.428 0.346 11.270 1.00 96.16 21 A 1 ATOM 152 C CG2 . VAL A 1 21 ? 7.840 1.669 9.220 1.00 96.22 21 A 1 ATOM 153 N N . ALA A 1 22 ? 7.627 -2.885 9.411 1.00 98.49 22 A 1 ATOM 154 C CA . ALA A 1 22 ? 7.380 -4.226 9.940 1.00 98.44 22 A 1 ATOM 155 C C . ALA A 1 22 ? 8.607 -5.130 9.784 1.00 98.45 22 A 1 ATOM 156 O O . ALA A 1 22 ? 8.856 -5.987 10.628 1.00 97.96 22 A 1 ATOM 157 C CB . ALA A 1 22 ? 6.169 -4.831 9.233 1.00 98.01 22 A 1 ATOM 158 N N . LEU A 1 23 ? 9.348 -4.932 8.716 1.00 98.29 23 A 1 ATOM 159 C CA . LEU A 1 23 ? 10.551 -5.716 8.450 1.00 97.95 23 A 1 ATOM 160 C C . LEU A 1 23 ? 11.736 -5.227 9.278 1.00 97.93 23 A 1 ATOM 161 O O . LEU A 1 23 ? 12.645 -6.005 9.573 1.00 96.86 23 A 1 ATOM 162 C CB . LEU A 1 23 ? 10.875 -5.647 6.953 1.00 97.00 23 A 1 ATOM 163 C CG . LEU A 1 23 ? 11.861 -6.713 6.487 1.00 93.64 23 A 1 ATOM 164 C CD1 . LEU A 1 23 ? 11.157 -8.051 6.278 1.00 89.93 23 A 1 ATOM 165 C CD2 . LEU A 1 23 ? 12.529 -6.281 5.190 1.00 87.64 23 A 1 ATOM 166 N N . SER A 1 24 ? 11.719 -3.970 9.633 1.00 96.23 24 A 1 ATOM 167 C CA . SER A 1 24 ? 12.792 -3.338 10.402 1.00 95.17 24 A 1 ATOM 168 C C . SER A 1 24 ? 12.806 -3.827 11.852 1.00 92.27 24 A 1 ATOM 169 O O . SER A 1 24 ? 13.768 -3.544 12.571 1.00 87.13 24 A 1 ATOM 170 C CB . SER A 1 24 ? 12.649 -1.817 10.337 1.00 91.92 24 A 1 ATOM 171 O OG . SER A 1 24 ? 13.811 -1.209 10.852 1.00 83.70 24 A 1 ATOM 172 O OXT . SER A 1 24 ? 11.850 -4.499 12.264 1.00 84.60 24 A 1 #