# 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_spkb36607 # _entry.id spkb36607 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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 LYS 2 1 n LYS 3 1 n THR 4 1 n ILE 5 1 n MET 6 1 n SER 7 1 n PHE 8 1 n VAL 9 1 n ALA 10 1 n VAL 11 1 n ALA 12 1 n ALA 13 1 n LEU 14 1 n SER 15 1 n THR 16 1 n THR 17 1 n ALA 18 1 n PHE 19 1 n GLY 20 1 n ALA 21 1 n HIS 22 1 n ALA 23 1 n SER 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 @ 2025-07-08 15:32:11)" _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 93.47 _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 89.17 1 1 A LYS 2 2 89.90 1 2 A LYS 3 2 91.46 1 3 A THR 4 2 95.19 1 4 A ILE 5 2 95.27 1 5 A MET 6 2 92.07 1 6 A SER 7 2 95.93 1 7 A PHE 8 2 94.57 1 8 A VAL 9 2 97.70 1 9 A ALA 10 2 98.20 1 10 A VAL 11 2 97.56 1 11 A ALA 12 2 98.02 1 12 A ALA 13 2 98.15 1 13 A LEU 14 2 94.37 1 14 A SER 15 2 95.02 1 15 A THR 16 2 95.50 1 16 A THR 17 2 95.61 1 17 A ALA 18 2 97.37 1 18 A PHE 19 2 91.97 1 19 A GLY 20 2 95.58 1 20 A ALA 21 2 95.74 1 21 A HIS 22 2 86.54 1 22 A ALA 23 2 94.71 1 23 A SER 24 2 86.88 1 24 A ALA 25 2 85.01 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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n SER . 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 ? 15.055 -9.262 6.440 1.00 94.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? 15.078 -8.292 7.544 1.00 95.71 1 A 1 ATOM 3 C C . MET A 1 1 ? 13.756 -7.534 7.646 1.00 96.29 1 A 1 ATOM 4 O O . MET A 1 1 ? 12.879 -7.686 6.802 1.00 93.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? 16.217 -7.298 7.342 1.00 91.85 1 A 1 ATOM 6 C CG . MET A 1 1 ? 17.574 -7.983 7.337 1.00 86.70 1 A 1 ATOM 7 S SD . MET A 1 1 ? 18.798 -7.131 8.299 1.00 82.10 1 A 1 ATOM 8 C CE . MET A 1 1 ? 19.043 -5.673 7.304 1.00 71.96 1 A 1 ATOM 9 N N . LYS A 1 2 ? 13.633 -6.711 8.673 1.00 96.30 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 12.415 -5.932 8.903 1.00 96.91 2 A 1 ATOM 11 C C . LYS A 1 2 ? 12.143 -4.949 7.767 1.00 97.32 2 A 1 ATOM 12 O O . LYS A 1 2 ? 11.032 -4.445 7.635 1.00 96.94 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 12.520 -5.173 10.223 1.00 95.82 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 13.633 -4.153 10.254 1.00 88.98 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 13.615 -3.383 11.556 1.00 86.82 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 14.682 -2.306 11.570 1.00 77.61 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 16.039 -2.889 11.554 1.00 72.40 2 A 1 ATOM 18 N N . LYS A 1 3 ? 13.156 -4.678 6.957 1.00 97.29 3 A 1 ATOM 19 C CA . LYS A 1 3 ? 13.020 -3.759 5.827 1.00 97.76 3 A 1 ATOM 20 C C . LYS A 1 3 ? 11.893 -4.192 4.904 1.00 98.03 3 A 1 ATOM 21 O O . LYS A 1 3 ? 11.082 -3.373 4.469 1.00 97.42 3 A 1 ATOM 22 C CB . LYS A 1 3 ? 14.338 -3.698 5.060 1.00 97.12 3 A 1 ATOM 23 C CG . LYS A 1 3 ? 14.284 -2.773 3.860 1.00 92.67 3 A 1 ATOM 24 C CD . LYS A 1 3 ? 14.015 -1.342 4.276 1.00 88.51 3 A 1 ATOM 25 C CE . LYS A 1 3 ? 14.015 -0.411 3.082 1.00 80.60 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? 13.756 0.994 3.492 1.00 73.70 3 A 1 ATOM 27 N N . THR A 1 4 ? 11.825 -5.476 4.612 1.00 97.22 4 A 1 ATOM 28 C CA . THR A 1 4 ? 10.785 -6.018 3.741 1.00 97.53 4 A 1 ATOM 29 C C . THR A 1 4 ? 9.409 -5.840 4.367 1.00 97.97 4 A 1 ATOM 30 O O . THR A 1 4 ? 8.447 -5.470 3.695 1.00 97.43 4 A 1 ATOM 31 C CB . THR A 1 4 ? 11.019 -7.505 3.469 1.00 97.13 4 A 1 ATOM 32 O OG1 . THR A 1 4 ? 12.335 -7.698 2.964 1.00 91.67 4 A 1 ATOM 33 C CG2 . THR A 1 4 ? 10.008 -8.031 2.469 1.00 87.39 4 A 1 ATOM 34 N N . ILE A 1 5 ? 9.325 -6.096 5.656 1.00 97.03 5 A 1 ATOM 35 C CA . ILE A 1 5 ? 8.068 -5.957 6.385 1.00 97.28 5 A 1 ATOM 36 C C . ILE A 1 5 ? 7.616 -4.502 6.396 1.00 97.66 5 A 1 ATOM 37 O O . ILE A 1 5 ? 6.445 -4.196 6.170 1.00 97.45 5 A 1 ATOM 38 C CB . ILE A 1 5 ? 8.215 -6.468 7.826 1.00 97.26 5 A 1 ATOM 39 C CG1 . ILE A 1 5 ? 8.602 -7.950 7.826 1.00 94.47 5 A 1 ATOM 40 C CG2 . ILE A 1 5 ? 6.918 -6.253 8.597 1.00 93.29 5 A 1 ATOM 41 C CD1 . ILE A 1 5 ? 8.943 -8.473 9.205 1.00 87.70 5 A 1 ATOM 42 N N . MET A 1 6 ? 8.557 -3.609 6.654 1.00 98.28 6 A 1 ATOM 43 C CA . MET A 1 6 ? 8.245 -2.182 6.700 1.00 98.22 6 A 1 ATOM 44 C C . MET A 1 6 ? 7.714 -1.698 5.351 1.00 98.29 6 A 1 ATOM 45 O O . MET A 1 6 ? 6.741 -0.946 5.283 1.00 98.04 6 A 1 ATOM 46 C CB . MET A 1 6 ? 9.496 -1.390 7.080 1.00 97.91 6 A 1 ATOM 47 C CG . MET A 1 6 ? 9.181 0.049 7.423 1.00 91.61 6 A 1 ATOM 48 S SD . MET A 1 6 ? 8.209 0.222 8.923 1.00 81.90 6 A 1 ATOM 49 C CE . MET A 1 6 ? 9.362 -0.393 10.135 1.00 72.30 6 A 1 ATOM 50 N N . SER A 1 7 ? 8.348 -2.147 4.290 1.00 97.83 7 A 1 ATOM 51 C CA . SER A 1 7 ? 7.927 -1.785 2.938 1.00 97.94 7 A 1 ATOM 52 C C . SER A 1 7 ? 6.535 -2.331 2.638 1.00 98.23 7 A 1 ATOM 53 O O . SER A 1 7 ? 5.689 -1.635 2.079 1.00 98.08 7 A 1 ATOM 54 C CB . SER A 1 7 ? 8.919 -2.322 1.917 1.00 97.47 7 A 1 ATOM 55 O OG . SER A 1 7 ? 8.534 -1.933 0.615 1.00 86.06 7 A 1 ATOM 56 N N . PHE A 1 8 ? 6.302 -3.572 3.037 1.00 97.80 8 A 1 ATOM 57 C CA . PHE A 1 8 ? 5.008 -4.214 2.837 1.00 98.04 8 A 1 ATOM 58 C C . PHE A 1 8 ? 3.891 -3.441 3.536 1.00 98.38 8 A 1 ATOM 59 O O . PHE A 1 8 ? 2.827 -3.207 2.959 1.00 98.14 8 A 1 ATOM 60 C CB . PHE A 1 8 ? 5.060 -5.647 3.364 1.00 97.79 8 A 1 ATOM 61 C CG . PHE A 1 8 ? 3.696 -6.263 3.517 1.00 94.70 8 A 1 ATOM 62 C CD1 . PHE A 1 8 ? 2.976 -6.662 2.404 1.00 90.95 8 A 1 ATOM 63 C CD2 . PHE A 1 8 ? 3.139 -6.427 4.775 1.00 92.44 8 A 1 ATOM 64 C CE1 . PHE A 1 8 ? 1.712 -7.219 2.543 1.00 90.64 8 A 1 ATOM 65 C CE2 . PHE A 1 8 ? 1.871 -6.980 4.919 1.00 90.89 8 A 1 ATOM 66 C CZ . PHE A 1 8 ? 1.157 -7.377 3.803 1.00 90.54 8 A 1 ATOM 67 N N . VAL A 1 9 ? 4.138 -3.050 4.766 1.00 98.32 9 A 1 ATOM 68 C CA . VAL A 1 9 ? 3.149 -2.304 5.545 1.00 98.33 9 A 1 ATOM 69 C C . VAL A 1 9 ? 2.836 -0.969 4.881 1.00 98.40 9 A 1 ATOM 70 O O . VAL A 1 9 ? 1.675 -0.566 4.786 1.00 98.24 9 A 1 ATOM 71 C CB . VAL A 1 9 ? 3.644 -2.063 6.981 1.00 98.07 9 A 1 ATOM 72 C CG1 . VAL A 1 9 ? 2.678 -1.164 7.747 1.00 96.58 9 A 1 ATOM 73 C CG2 . VAL A 1 9 ? 3.807 -3.387 7.710 1.00 95.98 9 A 1 ATOM 74 N N . ALA A 1 10 ? 3.867 -0.281 4.429 1.00 98.38 10 A 1 ATOM 75 C CA . ALA A 1 10 ? 3.696 1.013 3.783 1.00 98.27 10 A 1 ATOM 76 C C . ALA A 1 10 ? 2.858 0.892 2.513 1.00 98.40 10 A 1 ATOM 77 O O . ALA A 1 10 ? 1.945 1.686 2.282 1.00 98.04 10 A 1 ATOM 78 C CB . ALA A 1 10 ? 5.059 1.613 3.458 1.00 97.91 10 A 1 ATOM 79 N N . VAL A 1 11 ? 3.158 -0.102 1.698 1.00 98.35 11 A 1 ATOM 80 C CA . VAL A 1 11 ? 2.420 -0.331 0.456 1.00 98.34 11 A 1 ATOM 81 C C . VAL A 1 11 ? 0.967 -0.685 0.740 1.00 98.49 11 A 1 ATOM 82 O O . VAL A 1 11 ? 0.051 -0.169 0.097 1.00 98.23 11 A 1 ATOM 83 C CB . VAL A 1 11 ? 3.071 -1.453 -0.364 1.00 97.79 11 A 1 ATOM 84 C CG1 . VAL A 1 11 ? 2.219 -1.789 -1.582 1.00 95.85 11 A 1 ATOM 85 C CG2 . VAL A 1 11 ? 4.467 -1.038 -0.797 1.00 95.84 11 A 1 ATOM 86 N N . ALA A 1 12 ? 0.756 -1.557 1.704 1.00 98.22 12 A 1 ATOM 87 C CA . ALA A 1 12 ? -0.588 -1.985 2.073 1.00 98.10 12 A 1 ATOM 88 C C . ALA A 1 12 ? -1.421 -0.807 2.564 1.00 98.21 12 A 1 ATOM 89 O O . ALA A 1 12 ? -2.582 -0.649 2.179 1.00 97.83 12 A 1 ATOM 90 C CB . ALA A 1 12 ? -0.513 -3.058 3.151 1.00 97.75 12 A 1 ATOM 91 N N . ALA A 1 13 ? -0.832 0.025 3.411 1.00 98.36 13 A 1 ATOM 92 C CA . ALA A 1 13 ? -1.522 1.186 3.954 1.00 98.25 13 A 1 ATOM 93 C C . ALA A 1 13 ? -1.888 2.173 2.852 1.00 98.37 13 A 1 ATOM 94 O O . ALA A 1 13 ? -3.004 2.692 2.815 1.00 97.85 13 A 1 ATOM 95 C CB . ALA A 1 13 ? -0.649 1.869 5.000 1.00 97.90 13 A 1 ATOM 96 N N . LEU A 1 14 ? -0.957 2.426 1.954 1.00 98.13 14 A 1 ATOM 97 C CA . LEU A 1 14 ? -1.189 3.353 0.850 1.00 97.82 14 A 1 ATOM 98 C C . LEU A 1 14 ? -2.297 2.851 -0.062 1.00 98.09 14 A 1 ATOM 99 O O . LEU A 1 14 ? -3.174 3.615 -0.471 1.00 97.68 14 A 1 ATOM 100 C CB . LEU A 1 14 ? 0.097 3.539 0.049 1.00 97.28 14 A 1 ATOM 101 C CG . LEU A 1 14 ? -0.026 4.555 -1.085 1.00 90.69 14 A 1 ATOM 102 C CD1 . LEU A 1 14 ? -0.350 5.933 -0.538 1.00 86.55 14 A 1 ATOM 103 C CD2 . LEU A 1 14 ? 1.257 4.589 -1.896 1.00 88.72 14 A 1 ATOM 104 N N . SER A 1 15 ? -2.269 1.575 -0.379 1.00 97.47 15 A 1 ATOM 105 C CA . SER A 1 15 ? -3.283 0.971 -1.234 1.00 97.11 15 A 1 ATOM 106 C C . SER A 1 15 ? -4.657 1.022 -0.577 1.00 97.22 15 A 1 ATOM 107 O O . SER A 1 15 ? -5.661 1.323 -1.227 1.00 96.21 15 A 1 ATOM 108 C CB . SER A 1 15 ? -2.915 -0.477 -1.545 1.00 96.03 15 A 1 ATOM 109 O OG . SER A 1 15 ? -3.886 -1.051 -2.393 1.00 86.11 15 A 1 ATOM 110 N N . THR A 1 16 ? -4.700 0.743 0.709 1.00 97.82 16 A 1 ATOM 111 C CA . THR A 1 16 ? -5.954 0.739 1.457 1.00 97.50 16 A 1 ATOM 112 C C . THR A 1 16 ? -6.579 2.129 1.488 1.00 97.76 16 A 1 ATOM 113 O O . THR A 1 16 ? -7.775 2.286 1.238 1.00 96.85 16 A 1 ATOM 114 C CB . THR A 1 16 ? -5.731 0.266 2.895 1.00 96.71 16 A 1 ATOM 115 O OG1 . THR A 1 16 ? -5.169 -1.038 2.891 1.00 92.11 16 A 1 ATOM 116 C CG2 . THR A 1 16 ? -7.049 0.228 3.654 1.00 89.74 16 A 1 ATOM 117 N N . THR A 1 17 ? -5.783 3.143 1.791 1.00 98.03 17 A 1 ATOM 118 C CA . THR A 1 17 ? -6.297 4.506 1.867 1.00 97.56 17 A 1 ATOM 119 C C . THR A 1 17 ? -6.769 4.993 0.501 1.00 97.80 17 A 1 ATOM 120 O O . THR A 1 17 ? -7.802 5.659 0.394 1.00 96.99 17 A 1 ATOM 121 C CB . THR A 1 17 ? -5.242 5.466 2.431 1.00 96.90 17 A 1 ATOM 122 O OG1 . THR A 1 17 ? -5.834 6.752 2.627 1.00 92.44 17 A 1 ATOM 123 C CG2 . THR A 1 17 ? -4.059 5.615 1.501 1.00 89.52 17 A 1 ATOM 124 N N . ALA A 1 18 ? -6.029 4.651 -0.543 1.00 97.85 18 A 1 ATOM 125 C CA . ALA A 1 18 ? -6.392 5.047 -1.899 1.00 97.58 18 A 1 ATOM 126 C C . ALA A 1 18 ? -7.707 4.402 -2.321 1.00 97.65 18 A 1 ATOM 127 O O . ALA A 1 18 ? -8.596 5.067 -2.854 1.00 96.82 18 A 1 ATOM 128 C CB . ALA A 1 18 ? -5.285 4.659 -2.869 1.00 96.94 18 A 1 ATOM 129 N N . PHE A 1 19 ? -7.834 3.110 -2.076 1.00 96.68 19 A 1 ATOM 130 C CA . PHE A 1 19 ? -9.049 2.382 -2.417 1.00 96.43 19 A 1 ATOM 131 C C . PHE A 1 19 ? -10.232 2.889 -1.607 1.00 97.13 19 A 1 ATOM 132 O O . PHE A 1 19 ? -11.337 3.056 -2.132 1.00 96.53 19 A 1 ATOM 133 C CB . PHE A 1 19 ? -8.852 0.890 -2.161 1.00 95.53 19 A 1 ATOM 134 C CG . PHE A 1 19 ? -9.984 0.063 -2.706 1.00 91.71 19 A 1 ATOM 135 C CD1 . PHE A 1 19 ? -11.114 -0.186 -1.946 1.00 87.89 19 A 1 ATOM 136 C CD2 . PHE A 1 19 ? -9.912 -0.450 -3.991 1.00 89.12 19 A 1 ATOM 137 C CE1 . PHE A 1 19 ? -12.163 -0.934 -2.452 1.00 87.33 19 A 1 ATOM 138 C CE2 . PHE A 1 19 ? -10.961 -1.203 -4.503 1.00 86.70 19 A 1 ATOM 139 C CZ . PHE A 1 19 ? -12.083 -1.439 -3.733 1.00 86.58 19 A 1 ATOM 140 N N . GLY A 1 20 ? -10.007 3.157 -0.329 1.00 96.08 20 A 1 ATOM 141 C CA . GLY A 1 20 ? -11.056 3.664 0.546 1.00 95.32 20 A 1 ATOM 142 C C . GLY A 1 20 ? -11.578 5.005 0.075 1.00 95.77 20 A 1 ATOM 143 O O . GLY A 1 20 ? -12.785 5.250 0.071 1.00 95.16 20 A 1 ATOM 144 N N . ALA A 1 21 ? -10.675 5.885 -0.343 1.00 96.32 21 A 1 ATOM 145 C CA . ALA A 1 21 ? -11.058 7.204 -0.839 1.00 96.03 21 A 1 ATOM 146 C C . ALA A 1 21 ? -11.908 7.085 -2.098 1.00 96.46 21 A 1 ATOM 147 O O . ALA A 1 21 ? -12.904 7.791 -2.253 1.00 95.12 21 A 1 ATOM 148 C CB . ALA A 1 21 ? -9.814 8.030 -1.124 1.00 94.75 21 A 1 ATOM 149 N N . HIS A 1 22 ? -11.520 6.195 -2.979 1.00 94.17 22 A 1 ATOM 150 C CA . HIS A 1 22 ? -12.269 5.970 -4.213 1.00 94.51 22 A 1 ATOM 151 C C . HIS A 1 22 ? -13.658 5.421 -3.921 1.00 95.31 22 A 1 ATOM 152 O O . HIS A 1 22 ? -14.645 5.849 -4.521 1.00 93.86 22 A 1 ATOM 153 C CB . HIS A 1 22 ? -11.516 4.998 -5.117 1.00 93.05 22 A 1 ATOM 154 C CG . HIS A 1 22 ? -12.263 4.686 -6.377 1.00 88.31 22 A 1 ATOM 155 N ND1 . HIS A 1 22 ? -12.422 5.583 -7.399 1.00 76.62 22 A 1 ATOM 156 C CD2 . HIS A 1 22 ? -12.906 3.556 -6.751 1.00 76.10 22 A 1 ATOM 157 C CE1 . HIS A 1 22 ? -13.127 5.006 -8.364 1.00 76.47 22 A 1 ATOM 158 N NE2 . HIS A 1 22 ? -13.440 3.773 -8.005 1.00 76.98 22 A 1 ATOM 159 N N . ALA A 1 23 ? -13.745 4.484 -3.002 1.00 95.53 23 A 1 ATOM 160 C CA . ALA A 1 23 ? -15.021 3.878 -2.630 1.00 95.16 23 A 1 ATOM 161 C C . ALA A 1 23 ? -15.958 4.908 -2.009 1.00 95.21 23 A 1 ATOM 162 O O . ALA A 1 23 ? -17.167 4.875 -2.228 1.00 93.86 23 A 1 ATOM 163 C CB . ALA A 1 23 ? -14.787 2.731 -1.656 1.00 93.80 23 A 1 ATOM 164 N N . SER A 1 24 ? -15.397 5.821 -1.230 1.00 91.45 24 A 1 ATOM 165 C CA . SER A 1 24 ? -16.180 6.868 -0.579 1.00 90.06 24 A 1 ATOM 166 C C . SER A 1 24 ? -16.773 7.830 -1.602 1.00 89.28 24 A 1 ATOM 167 O O . SER A 1 24 ? -17.887 8.325 -1.431 1.00 86.21 24 A 1 ATOM 168 C CB . SER A 1 24 ? -15.314 7.648 0.404 1.00 88.06 24 A 1 ATOM 169 O OG . SER A 1 24 ? -16.083 8.616 1.085 1.00 76.23 24 A 1 ATOM 170 N N . ALA A 1 25 ? -16.031 8.096 -2.664 1.00 90.44 25 A 1 ATOM 171 C CA . ALA A 1 25 ? -16.466 9.004 -3.718 1.00 89.03 25 A 1 ATOM 172 C C . ALA A 1 25 ? -17.606 8.373 -4.518 1.00 86.30 25 A 1 ATOM 173 O O . ALA A 1 25 ? -18.559 9.085 -4.864 1.00 82.09 25 A 1 ATOM 174 C CB . ALA A 1 25 ? -15.295 9.356 -4.629 1.00 84.77 25 A 1 ATOM 175 O OXT . ALA A 1 25 ? -17.529 7.175 -4.819 1.00 77.43 25 A 1 #