# 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_spkb22767 # _entry.id spkb22767 # 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 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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LYS 3 1 n PHE 4 1 n LEU 5 1 n LEU 6 1 n VAL 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n ILE 11 1 n THR 12 1 n ILE 13 1 n THR 14 1 n LEU 15 1 n ILE 16 1 n THR 17 1 n MET 18 1 n ALA 19 1 n TYR 20 1 n SER 21 # _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 @ 2025-07-02 11:46:43)" _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 94.94 _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 89.62 1 1 A MET 2 2 91.27 1 2 A LYS 3 2 91.52 1 3 A PHE 4 2 94.71 1 4 A LEU 5 2 95.32 1 5 A LEU 6 2 95.10 1 6 A VAL 7 2 98.02 1 7 A LEU 8 2 95.54 1 8 A PHE 9 2 95.03 1 9 A LEU 10 2 94.80 1 10 A ILE 11 2 97.52 1 11 A THR 12 2 96.36 1 12 A ILE 13 2 96.96 1 13 A THR 14 2 97.24 1 14 A LEU 15 2 97.07 1 15 A ILE 16 2 97.57 1 16 A THR 17 2 96.92 1 17 A MET 18 2 94.49 1 18 A ALA 19 2 98.11 1 19 A TYR 20 2 93.68 1 20 A SER 21 2 89.61 1 21 # _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 LYS . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 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 ILE . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n SER . 21 A 21 # _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 ? -1.577 -4.816 15.777 1.00 95.40 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.227 -3.535 15.139 1.00 96.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.958 -3.372 13.806 1.00 96.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.344 -3.300 12.741 1.00 95.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.275 -3.457 14.897 1.00 93.07 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.076 -3.527 16.183 1.00 84.46 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.714 -2.144 17.256 1.00 81.97 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.759 -2.521 18.641 1.00 73.64 1 A 1 ATOM 9 N N . MET A 1 2 ? -3.274 -3.316 13.889 1.00 97.42 2 A 1 ATOM 10 C CA . MET A 1 2 ? -4.096 -3.170 12.688 1.00 97.70 2 A 1 ATOM 11 C C . MET A 1 2 ? -3.848 -1.834 11.994 1.00 97.91 2 A 1 ATOM 12 O O . MET A 1 2 ? -3.980 -1.732 10.779 1.00 97.38 2 A 1 ATOM 13 C CB . MET A 1 2 ? -5.575 -3.292 13.050 1.00 96.43 2 A 1 ATOM 14 C CG . MET A 1 2 ? -5.954 -4.697 13.470 1.00 88.88 2 A 1 ATOM 15 S SD . MET A 1 2 ? -7.709 -4.859 13.782 1.00 82.64 2 A 1 ATOM 16 C CE . MET A 1 2 ? -7.806 -6.601 14.110 1.00 71.80 2 A 1 ATOM 17 N N . LYS A 1 3 ? -3.496 -0.824 12.778 1.00 97.90 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -3.204 0.495 12.213 1.00 98.10 3 A 1 ATOM 19 C C . LYS A 1 3 ? -2.031 0.411 11.245 1.00 98.22 3 A 1 ATOM 20 O O . LYS A 1 3 ? -2.066 0.993 10.162 1.00 97.86 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -2.902 1.492 13.331 1.00 97.58 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -4.112 1.805 14.185 1.00 92.45 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -3.783 2.837 15.240 1.00 87.63 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -5.029 3.249 16.012 1.00 80.70 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -5.650 2.101 16.713 1.00 73.28 3 A 1 ATOM 26 N N . PHE A 1 4 ? -1.007 -0.323 11.647 1.00 97.84 4 A 1 ATOM 27 C CA . PHE A 1 4 ? 0.163 -0.504 10.792 1.00 98.03 4 A 1 ATOM 28 C C . PHE A 1 4 ? -0.228 -1.258 9.527 1.00 98.28 4 A 1 ATOM 29 O O . PHE A 1 4 ? 0.224 -0.927 8.429 1.00 98.04 4 A 1 ATOM 30 C CB . PHE A 1 4 ? 1.241 -1.273 11.547 1.00 97.63 4 A 1 ATOM 31 C CG . PHE A 1 4 ? 2.451 -1.535 10.700 1.00 95.61 4 A 1 ATOM 32 C CD1 . PHE A 1 4 ? 3.357 -0.524 10.441 1.00 92.30 4 A 1 ATOM 33 C CD2 . PHE A 1 4 ? 2.664 -2.786 10.161 1.00 92.18 4 A 1 ATOM 34 C CE1 . PHE A 1 4 ? 4.471 -0.755 9.655 1.00 90.42 4 A 1 ATOM 35 C CE2 . PHE A 1 4 ? 3.777 -3.029 9.366 1.00 90.89 4 A 1 ATOM 36 C CZ . PHE A 1 4 ? 4.679 -2.012 9.117 1.00 90.56 4 A 1 ATOM 37 N N . LEU A 1 5 ? -1.080 -2.267 9.688 1.00 98.33 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -1.553 -3.047 8.553 1.00 98.38 5 A 1 ATOM 39 C C . LEU A 1 5 ? -2.326 -2.164 7.584 1.00 98.49 5 A 1 ATOM 40 O O . LEU A 1 5 ? -2.230 -2.333 6.367 1.00 98.34 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -2.449 -4.184 9.043 1.00 98.21 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -2.764 -5.211 7.964 1.00 92.51 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -1.517 -6.018 7.633 1.00 88.81 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -3.879 -6.132 8.426 1.00 89.51 5 A 1 ATOM 45 N N . LEU A 1 6 ? -3.092 -1.239 8.120 1.00 98.28 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -3.872 -0.308 7.313 1.00 98.27 6 A 1 ATOM 47 C C . LEU A 1 6 ? -2.947 0.556 6.461 1.00 98.40 6 A 1 ATOM 48 O O . LEU A 1 6 ? -3.205 0.779 5.276 1.00 98.34 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -4.737 0.568 8.226 1.00 98.08 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -5.843 1.361 7.523 1.00 91.22 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -5.274 2.527 6.743 1.00 88.29 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -6.640 0.448 6.608 1.00 89.95 6 A 1 ATOM 53 N N . VAL A 1 7 ? -1.878 1.037 7.071 1.00 98.59 7 A 1 ATOM 54 C CA . VAL A 1 7 ? -0.904 1.860 6.352 1.00 98.58 7 A 1 ATOM 55 C C . VAL A 1 7 ? -0.262 1.054 5.232 1.00 98.63 7 A 1 ATOM 56 O O . VAL A 1 7 ? -0.108 1.543 4.110 1.00 98.47 7 A 1 ATOM 57 C CB . VAL A 1 7 ? 0.182 2.377 7.306 1.00 98.37 7 A 1 ATOM 58 C CG1 . VAL A 1 7 ? 1.236 3.164 6.541 1.00 96.79 7 A 1 ATOM 59 C CG2 . VAL A 1 7 ? -0.440 3.249 8.386 1.00 96.72 7 A 1 ATOM 60 N N . LEU A 1 8 ? 0.107 -0.174 5.549 1.00 98.29 8 A 1 ATOM 61 C CA . LEU A 1 8 ? 0.727 -1.056 4.568 1.00 98.27 8 A 1 ATOM 62 C C . LEU A 1 8 ? -0.229 -1.291 3.404 1.00 98.35 8 A 1 ATOM 63 O O . LEU A 1 8 ? 0.171 -1.301 2.239 1.00 98.33 8 A 1 ATOM 64 C CB . LEU A 1 8 ? 1.088 -2.388 5.234 1.00 98.17 8 A 1 ATOM 65 C CG . LEU A 1 8 ? 2.300 -3.089 4.626 1.00 91.92 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? 2.075 -3.425 3.163 1.00 89.61 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? 3.535 -2.214 4.785 1.00 91.40 8 A 1 ATOM 68 N N . PHE A 1 9 ? -1.499 -1.484 3.728 1.00 98.12 9 A 1 ATOM 69 C CA . PHE A 1 9 ? -2.532 -1.697 2.720 1.00 98.10 9 A 1 ATOM 70 C C . PHE A 1 9 ? -2.657 -0.482 1.808 1.00 98.27 9 A 1 ATOM 71 O O . PHE A 1 9 ? -2.774 -0.616 0.589 1.00 98.04 9 A 1 ATOM 72 C CB . PHE A 1 9 ? -3.867 -1.973 3.415 1.00 97.95 9 A 1 ATOM 73 C CG . PHE A 1 9 ? -5.040 -1.860 2.479 1.00 95.87 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? -5.317 -2.869 1.574 1.00 92.07 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? -5.845 -0.738 2.507 1.00 92.93 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? -6.393 -2.769 0.707 1.00 90.88 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? -6.922 -0.628 1.633 1.00 91.21 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? -7.195 -1.642 0.738 1.00 91.91 9 A 1 ATOM 79 N N . LEU A 1 10 ? -2.637 0.697 2.405 1.00 98.40 10 A 1 ATOM 80 C CA . LEU A 1 10 ? -2.753 1.935 1.641 1.00 98.33 10 A 1 ATOM 81 C C . LEU A 1 10 ? -1.596 2.077 0.662 1.00 98.44 10 A 1 ATOM 82 O O . LEU A 1 10 ? -1.786 2.486 -0.482 1.00 98.24 10 A 1 ATOM 83 C CB . LEU A 1 10 ? -2.779 3.132 2.590 1.00 98.07 10 A 1 ATOM 84 C CG . LEU A 1 10 ? -3.048 4.464 1.890 1.00 89.73 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? -4.454 4.474 1.301 1.00 87.39 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? -2.885 5.620 2.863 1.00 89.81 10 A 1 ATOM 87 N N . ILE A 1 11 ? -0.407 1.745 1.111 1.00 98.62 11 A 1 ATOM 88 C CA . ILE A 1 11 ? 0.779 1.825 0.261 1.00 98.55 11 A 1 ATOM 89 C C . ILE A 1 11 ? 0.667 0.830 -0.889 1.00 98.61 11 A 1 ATOM 90 O O . ILE A 1 11 ? 0.995 1.147 -2.035 1.00 98.40 11 A 1 ATOM 91 C CB . ILE A 1 11 ? 2.052 1.544 1.074 1.00 98.42 11 A 1 ATOM 92 C CG1 . ILE A 1 11 ? 2.249 2.627 2.138 1.00 97.19 11 A 1 ATOM 93 C CG2 . ILE A 1 11 ? 3.266 1.489 0.147 1.00 96.73 11 A 1 ATOM 94 C CD1 . ILE A 1 11 ? 3.316 2.280 3.152 1.00 93.62 11 A 1 ATOM 95 N N . THR A 1 12 ? 0.202 -0.361 -0.572 1.00 98.56 12 A 1 ATOM 96 C CA . THR A 1 12 ? 0.070 -1.409 -1.577 1.00 98.57 12 A 1 ATOM 97 C C . THR A 1 12 ? -0.939 -1.016 -2.651 1.00 98.63 12 A 1 ATOM 98 O O . THR A 1 12 ? -0.659 -1.125 -3.846 1.00 98.22 12 A 1 ATOM 99 C CB . THR A 1 12 ? -0.368 -2.727 -0.929 1.00 98.23 12 A 1 ATOM 100 O OG1 . THR A 1 12 ? 0.557 -3.096 0.088 1.00 92.32 12 A 1 ATOM 101 C CG2 . THR A 1 12 ? -0.417 -3.838 -1.971 1.00 89.96 12 A 1 ATOM 102 N N . ILE A 1 13 ? -2.109 -0.563 -2.231 1.00 98.60 13 A 1 ATOM 103 C CA . ILE A 1 13 ? -3.146 -0.167 -3.172 1.00 98.49 13 A 1 ATOM 104 C C . ILE A 1 13 ? -2.683 1.010 -4.021 1.00 98.53 13 A 1 ATOM 105 O O . ILE A 1 13 ? -3.019 1.102 -5.207 1.00 98.18 13 A 1 ATOM 106 C CB . ILE A 1 13 ? -4.456 0.181 -2.444 1.00 98.23 13 A 1 ATOM 107 C CG1 . ILE A 1 13 ? -5.562 0.434 -3.466 1.00 96.10 13 A 1 ATOM 108 C CG2 . ILE A 1 13 ? -4.270 1.390 -1.546 1.00 95.21 13 A 1 ATOM 109 C CD1 . ILE A 1 13 ? -6.924 0.582 -2.846 1.00 92.33 13 A 1 ATOM 110 N N . THR A 1 14 ? -1.914 1.897 -3.429 1.00 98.64 14 A 1 ATOM 111 C CA . THR A 1 14 ? -1.382 3.048 -4.153 1.00 98.61 14 A 1 ATOM 112 C C . THR A 1 14 ? -0.416 2.584 -5.232 1.00 98.66 14 A 1 ATOM 113 O O . THR A 1 14 ? -0.441 3.089 -6.357 1.00 98.21 14 A 1 ATOM 114 C CB . THR A 1 14 ? -0.665 4.006 -3.197 1.00 98.33 14 A 1 ATOM 115 O OG1 . THR A 1 14 ? -1.569 4.455 -2.193 1.00 94.89 14 A 1 ATOM 116 C CG2 . THR A 1 14 ? -0.142 5.219 -3.954 1.00 93.37 14 A 1 ATOM 117 N N . LEU A 1 15 ? 0.427 1.638 -4.893 1.00 98.72 15 A 1 ATOM 118 C CA . LEU A 1 15 ? 1.403 1.099 -5.833 1.00 98.65 15 A 1 ATOM 119 C C . LEU A 1 15 ? 0.686 0.468 -7.023 1.00 98.65 15 A 1 ATOM 120 O O . LEU A 1 15 ? 1.060 0.685 -8.179 1.00 98.34 15 A 1 ATOM 121 C CB . LEU A 1 15 ? 2.290 0.069 -5.121 1.00 98.46 15 A 1 ATOM 122 C CG . LEU A 1 15 ? 3.530 -0.391 -5.891 1.00 96.43 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? 3.160 -1.377 -6.979 1.00 93.38 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? 4.265 0.801 -6.473 1.00 93.95 15 A 1 ATOM 125 N N . ILE A 1 16 ? -0.352 -0.310 -6.738 1.00 98.70 16 A 1 ATOM 126 C CA . ILE A 1 16 ? -1.119 -0.970 -7.790 1.00 98.62 16 A 1 ATOM 127 C C . ILE A 1 16 ? -1.808 0.068 -8.670 1.00 98.60 16 A 1 ATOM 128 O O . ILE A 1 16 ? -1.831 -0.059 -9.898 1.00 98.24 16 A 1 ATOM 129 C CB . ILE A 1 16 ? -2.161 -1.922 -7.185 1.00 98.42 16 A 1 ATOM 130 C CG1 . ILE A 1 16 ? -1.470 -3.034 -6.394 1.00 96.95 16 A 1 ATOM 131 C CG2 . ILE A 1 16 ? -3.023 -2.525 -8.294 1.00 96.57 16 A 1 ATOM 132 C CD1 . ILE A 1 16 ? -2.427 -3.848 -5.548 1.00 94.44 16 A 1 ATOM 133 N N . THR A 1 17 ? -2.360 1.084 -8.042 1.00 98.75 17 A 1 ATOM 134 C CA . THR A 1 17 ? -3.044 2.146 -8.771 1.00 98.65 17 A 1 ATOM 135 C C . THR A 1 17 ? -2.082 2.860 -9.716 1.00 98.56 17 A 1 ATOM 136 O O . THR A 1 17 ? -2.434 3.171 -10.855 1.00 97.97 17 A 1 ATOM 137 C CB . THR A 1 17 ? -3.650 3.157 -7.798 1.00 98.32 17 A 1 ATOM 138 O OG1 . THR A 1 17 ? -4.519 2.487 -6.893 1.00 94.02 17 A 1 ATOM 139 C CG2 . THR A 1 17 ? -4.445 4.208 -8.556 1.00 92.16 17 A 1 ATOM 140 N N . MET A 1 18 ? -0.882 3.125 -9.247 1.00 98.68 18 A 1 ATOM 141 C CA . MET A 1 18 ? 0.130 3.792 -10.061 1.00 98.54 18 A 1 ATOM 142 C C . MET A 1 18 ? 0.497 2.942 -11.272 1.00 98.53 18 A 1 ATOM 143 O O . MET A 1 18 ? 0.705 3.457 -12.366 1.00 98.03 18 A 1 ATOM 144 C CB . MET A 1 18 ? 1.382 4.069 -9.230 1.00 98.17 18 A 1 ATOM 145 C CG . MET A 1 18 ? 1.165 5.138 -8.181 1.00 94.80 18 A 1 ATOM 146 S SD . MET A 1 18 ? 2.624 5.441 -7.168 1.00 88.50 18 A 1 ATOM 147 C CE . MET A 1 18 ? 3.708 6.172 -8.379 1.00 80.70 18 A 1 ATOM 148 N N . ALA A 1 19 ? 0.570 1.634 -11.065 1.00 98.51 19 A 1 ATOM 149 C CA . ALA A 1 19 ? 0.912 0.711 -12.141 1.00 98.35 19 A 1 ATOM 150 C C . ALA A 1 19 ? -0.226 0.598 -13.151 1.00 98.21 19 A 1 ATOM 151 O O . ALA A 1 19 ? 0.005 0.359 -14.336 1.00 97.49 19 A 1 ATOM 152 C CB . ALA A 1 19 ? 1.243 -0.660 -11.571 1.00 98.01 19 A 1 ATOM 153 N N . TYR A 1 20 ? -1.453 0.768 -12.657 1.00 98.15 20 A 1 ATOM 154 C CA . TYR A 1 20 ? -2.632 0.655 -13.508 1.00 97.77 20 A 1 ATOM 155 C C . TYR A 1 20 ? -3.022 2.003 -14.116 1.00 97.18 20 A 1 ATOM 156 O O . TYR A 1 20 ? -4.024 2.097 -14.827 1.00 95.09 20 A 1 ATOM 157 C CB . TYR A 1 20 ? -3.805 0.095 -12.690 1.00 97.08 20 A 1 ATOM 158 C CG . TYR A 1 20 ? -3.742 -1.406 -12.484 1.00 94.40 20 A 1 ATOM 159 C CD1 . TYR A 1 20 ? -2.532 -2.075 -12.394 1.00 91.33 20 A 1 ATOM 160 C CD2 . TYR A 1 20 ? -4.915 -2.147 -12.374 1.00 90.67 20 A 1 ATOM 161 C CE1 . TYR A 1 20 ? -2.477 -3.443 -12.206 1.00 90.93 20 A 1 ATOM 162 C CE2 . TYR A 1 20 ? -4.876 -3.521 -12.181 1.00 90.79 20 A 1 ATOM 163 C CZ . TYR A 1 20 ? -3.652 -4.161 -12.098 1.00 90.92 20 A 1 ATOM 164 O OH . TYR A 1 20 ? -3.602 -5.521 -11.909 1.00 89.79 20 A 1 ATOM 165 N N . SER A 1 21 ? -2.231 3.011 -13.847 1.00 96.54 21 A 1 ATOM 166 C CA . SER A 1 21 ? -2.540 4.347 -14.333 1.00 95.11 21 A 1 ATOM 167 C C . SER A 1 21 ? -1.288 5.028 -14.866 1.00 92.05 21 A 1 ATOM 168 O O . SER A 1 21 ? -1.350 5.618 -15.962 1.00 86.02 21 A 1 ATOM 169 C CB . SER A 1 21 ? -3.169 5.186 -13.222 1.00 92.21 21 A 1 ATOM 170 O OG . SER A 1 21 ? -3.560 6.443 -13.730 1.00 82.34 21 A 1 ATOM 171 O OXT . SER A 1 21 ? -0.268 4.965 -14.170 1.00 83.02 21 A 1 #