# 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_spkb21967 # _entry.id spkb21967 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" # _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 ALA 2 1 n ARG 3 1 n ILE 4 1 n GLY 5 1 n SER 6 1 n PHE 7 1 n LEU 8 1 n ILE 9 1 n ILE 10 1 n LEU 11 1 n TYR 12 1 n LEU 13 1 n ILE 14 1 n TYR 15 1 n ALA 16 1 n LEU 17 1 n THR 18 1 n LEU 19 1 n CYS 20 1 n ILE 21 1 n CYS 22 # _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 @ 2025-07-04 15:12:41)" _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 94.83 _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 85.12 1 1 A ALA 2 2 93.12 1 2 A ARG 3 2 86.64 1 3 A ILE 4 2 95.31 1 4 A GLY 5 2 97.72 1 5 A SER 6 2 96.34 1 6 A PHE 7 2 96.44 1 7 A LEU 8 2 96.30 1 8 A ILE 9 2 96.85 1 9 A ILE 10 2 96.88 1 10 A LEU 11 2 96.24 1 11 A TYR 12 2 96.10 1 12 A LEU 13 2 96.53 1 13 A ILE 14 2 97.65 1 14 A TYR 15 2 96.75 1 15 A ALA 16 2 98.65 1 16 A LEU 17 2 96.78 1 17 A THR 18 2 97.10 1 18 A LEU 19 2 96.36 1 19 A CYS 20 2 96.25 1 20 A ILE 21 2 94.18 1 21 A CYS 22 2 85.89 1 22 # _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 ALA . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n TYR . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n CYS . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n CYS . 22 A 22 # _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 ? -2.283 -6.920 16.382 1.00 90.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.092 -5.485 16.682 1.00 92.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.293 -4.792 15.574 1.00 93.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.406 -3.997 15.850 1.00 89.49 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.369 -5.341 18.020 1.00 88.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.357 -5.155 19.161 1.00 81.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.511 -4.656 20.652 1.00 77.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.914 -4.413 21.736 1.00 68.57 1 A 1 ATOM 9 N N . ALA A 1 2 ? -1.625 -5.075 14.344 1.00 91.54 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -0.913 -4.471 13.217 1.00 94.19 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.754 -3.360 12.582 1.00 95.54 2 A 1 ATOM 12 O O . ALA A 1 2 ? -1.970 -3.341 11.373 1.00 92.99 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -0.578 -5.542 12.196 1.00 91.35 2 A 1 ATOM 14 N N . ARG A 1 3 ? -2.237 -2.470 13.422 1.00 96.13 3 A 1 ATOM 15 C CA . ARG A 1 3 ? -3.081 -1.366 12.933 1.00 97.36 3 A 1 ATOM 16 C C . ARG A 1 3 ? -2.293 -0.467 11.984 1.00 97.91 3 A 1 ATOM 17 O O . ARG A 1 3 ? -2.714 -0.230 10.855 1.00 97.13 3 A 1 ATOM 18 C CB . ARG A 1 3 ? -3.598 -0.554 14.123 1.00 96.31 3 A 1 ATOM 19 C CG . ARG A 1 3 ? -4.691 -1.291 14.889 1.00 88.29 3 A 1 ATOM 20 C CD . ARG A 1 3 ? -6.032 -1.110 14.199 1.00 86.16 3 A 1 ATOM 21 N NE . ARG A 1 3 ? -7.116 -1.784 14.914 1.00 79.50 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? -7.733 -1.272 15.969 1.00 76.63 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? -7.377 -0.102 16.469 1.00 70.05 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? -8.709 -1.946 16.544 1.00 67.53 3 A 1 ATOM 25 N N . ILE A 1 4 ? -1.165 0.023 12.454 1.00 97.58 4 A 1 ATOM 26 C CA . ILE A 1 4 ? -0.326 0.898 11.634 1.00 97.75 4 A 1 ATOM 27 C C . ILE A 1 4 ? 0.310 0.111 10.498 1.00 98.02 4 A 1 ATOM 28 O O . ILE A 1 4 ? 0.381 0.589 9.365 1.00 97.75 4 A 1 ATOM 29 C CB . ILE A 1 4 ? 0.743 1.573 12.504 1.00 97.40 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? 0.079 2.411 13.600 1.00 94.03 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? 1.654 2.447 11.647 1.00 93.00 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? 0.992 2.676 14.774 1.00 86.96 4 A 1 ATOM 33 N N . GLY A 1 5 ? 0.758 -1.084 10.812 1.00 97.57 5 A 1 ATOM 34 C CA . GLY A 1 5 ? 1.371 -1.933 9.793 1.00 97.55 5 A 1 ATOM 35 C C . GLY A 1 5 ? 0.391 -2.288 8.693 1.00 97.98 5 A 1 ATOM 36 O O . GLY A 1 5 ? 0.727 -2.239 7.511 1.00 97.76 5 A 1 ATOM 37 N N . SER A 1 6 ? -0.824 -2.628 9.075 1.00 98.09 6 A 1 ATOM 38 C CA . SER A 1 6 ? -1.865 -2.963 8.104 1.00 98.30 6 A 1 ATOM 39 C C . SER A 1 6 ? -2.239 -1.743 7.271 1.00 98.52 6 A 1 ATOM 40 O O . SER A 1 6 ? -2.517 -1.859 6.084 1.00 98.30 6 A 1 ATOM 41 C CB . SER A 1 6 ? -3.099 -3.491 8.820 1.00 97.71 6 A 1 ATOM 42 O OG . SER A 1 6 ? -2.856 -4.780 9.322 1.00 87.15 6 A 1 ATOM 43 N N . PHE A 1 7 ? -2.226 -0.596 7.911 1.00 98.38 7 A 1 ATOM 44 C CA . PHE A 1 7 ? -2.542 0.651 7.218 1.00 98.54 7 A 1 ATOM 45 C C . PHE A 1 7 ? -1.544 0.898 6.093 1.00 98.67 7 A 1 ATOM 46 O O . PHE A 1 7 ? -1.920 1.322 5.002 1.00 98.57 7 A 1 ATOM 47 C CB . PHE A 1 7 ? -2.508 1.801 8.218 1.00 98.45 7 A 1 ATOM 48 C CG . PHE A 1 7 ? -3.017 3.085 7.624 1.00 97.29 7 A 1 ATOM 49 C CD1 . PHE A 1 7 ? -4.372 3.259 7.378 1.00 94.96 7 A 1 ATOM 50 C CD2 . PHE A 1 7 ? -2.134 4.111 7.314 1.00 95.28 7 A 1 ATOM 51 C CE1 . PHE A 1 7 ? -4.842 4.443 6.830 1.00 93.42 7 A 1 ATOM 52 C CE2 . PHE A 1 7 ? -2.599 5.301 6.758 1.00 93.87 7 A 1 ATOM 53 C CZ . PHE A 1 7 ? -3.954 5.465 6.518 1.00 93.36 7 A 1 ATOM 54 N N . LEU A 1 8 ? -0.287 0.622 6.363 1.00 98.50 8 A 1 ATOM 55 C CA . LEU A 1 8 ? 0.759 0.800 5.358 1.00 98.58 8 A 1 ATOM 56 C C . LEU A 1 8 ? 0.564 -0.176 4.204 1.00 98.69 8 A 1 ATOM 57 O O . LEU A 1 8 ? 0.780 0.178 3.045 1.00 98.67 8 A 1 ATOM 58 C CB . LEU A 1 8 ? 2.123 0.587 6.013 1.00 98.52 8 A 1 ATOM 59 C CG . LEU A 1 8 ? 2.647 1.840 6.705 1.00 93.62 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? 3.525 1.473 7.888 1.00 90.90 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? 3.447 2.682 5.714 1.00 92.93 8 A 1 ATOM 62 N N . ILE A 1 9 ? 0.145 -1.379 4.531 1.00 98.55 9 A 1 ATOM 63 C CA . ILE A 1 9 ? -0.089 -2.402 3.510 1.00 98.55 9 A 1 ATOM 64 C C . ILE A 1 9 ? -1.265 -1.995 2.624 1.00 98.61 9 A 1 ATOM 65 O O . ILE A 1 9 ? -1.230 -2.191 1.408 1.00 98.54 9 A 1 ATOM 66 C CB . ILE A 1 9 ? -0.344 -3.763 4.173 1.00 98.47 9 A 1 ATOM 67 C CG1 . ILE A 1 9 ? 0.904 -4.223 4.934 1.00 96.92 9 A 1 ATOM 68 C CG2 . ILE A 1 9 ? -0.720 -4.807 3.116 1.00 96.28 9 A 1 ATOM 69 C CD1 . ILE A 1 9 ? 0.595 -5.250 6.005 1.00 88.90 9 A 1 ATOM 70 N N . ILE A 1 10 ? -2.278 -1.436 3.236 1.00 98.50 10 A 1 ATOM 71 C CA . ILE A 1 10 ? -3.450 -0.983 2.482 1.00 98.47 10 A 1 ATOM 72 C C . ILE A 1 10 ? -3.038 0.125 1.518 1.00 98.54 10 A 1 ATOM 73 O O . ILE A 1 10 ? -3.495 0.164 0.372 1.00 98.48 10 A 1 ATOM 74 C CB . ILE A 1 10 ? -4.544 -0.495 3.445 1.00 98.41 10 A 1 ATOM 75 C CG1 . ILE A 1 10 ? -5.093 -1.669 4.260 1.00 96.85 10 A 1 ATOM 76 C CG2 . ILE A 1 10 ? -5.686 0.162 2.664 1.00 96.22 10 A 1 ATOM 77 C CD1 . ILE A 1 10 ? -5.749 -1.222 5.553 1.00 89.60 10 A 1 ATOM 78 N N . LEU A 1 11 ? -2.180 0.995 1.981 1.00 98.49 11 A 1 ATOM 79 C CA . LEU A 1 11 ? -1.677 2.082 1.145 1.00 98.47 11 A 1 ATOM 80 C C . LEU A 1 11 ? -0.899 1.518 -0.037 1.00 98.56 11 A 1 ATOM 81 O O . LEU A 1 11 ? -0.946 2.056 -1.138 1.00 98.51 11 A 1 ATOM 82 C CB . LEU A 1 11 ? -0.783 2.997 1.979 1.00 98.29 11 A 1 ATOM 83 C CG . LEU A 1 11 ? -1.316 4.426 2.084 1.00 93.56 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? -2.609 4.442 2.895 1.00 91.32 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? -0.281 5.319 2.738 1.00 92.70 11 A 1 ATOM 86 N N . TYR A 1 12 ? -0.205 0.434 0.223 1.00 98.50 12 A 1 ATOM 87 C CA . TYR A 1 12 ? 0.583 -0.228 -0.818 1.00 98.53 12 A 1 ATOM 88 C C . TYR A 1 12 ? -0.346 -0.770 -1.904 1.00 98.56 12 A 1 ATOM 89 O O . TYR A 1 12 ? -0.041 -0.690 -3.094 1.00 98.43 12 A 1 ATOM 90 C CB . TYR A 1 12 ? 1.391 -1.357 -0.184 1.00 98.43 12 A 1 ATOM 91 C CG . TYR A 1 12 ? 2.487 -1.910 -1.082 1.00 96.74 12 A 1 ATOM 92 C CD1 . TYR A 1 12 ? 2.731 -1.397 -2.355 1.00 94.39 12 A 1 ATOM 93 C CD2 . TYR A 1 12 ? 3.291 -2.952 -0.625 1.00 94.88 12 A 1 ATOM 94 C CE1 . TYR A 1 12 ? 3.737 -1.915 -3.160 1.00 93.61 12 A 1 ATOM 95 C CE2 . TYR A 1 12 ? 4.304 -3.476 -1.421 1.00 94.04 12 A 1 ATOM 96 C CZ . TYR A 1 12 ? 4.518 -2.956 -2.690 1.00 94.28 12 A 1 ATOM 97 O OH . TYR A 1 12 ? 5.512 -3.474 -3.485 1.00 92.79 12 A 1 ATOM 98 N N . LEU A 1 13 ? -1.472 -1.303 -1.489 1.00 98.53 13 A 1 ATOM 99 C CA . LEU A 1 13 ? -2.448 -1.834 -2.438 1.00 98.51 13 A 1 ATOM 100 C C . LEU A 1 13 ? -2.994 -0.718 -3.323 1.00 98.62 13 A 1 ATOM 101 O O . LEU A 1 13 ? -3.142 -0.893 -4.534 1.00 98.51 13 A 1 ATOM 102 C CB . LEU A 1 13 ? -3.586 -2.496 -1.660 1.00 98.36 13 A 1 ATOM 103 C CG . LEU A 1 13 ? -3.317 -3.967 -1.372 1.00 94.20 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? -3.951 -4.381 -0.057 1.00 92.13 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? -3.866 -4.821 -2.507 1.00 93.41 13 A 1 ATOM 106 N N . ILE A 1 14 ? -3.275 0.405 -2.716 1.00 98.57 14 A 1 ATOM 107 C CA . ILE A 1 14 ? -3.776 1.558 -3.461 1.00 98.52 14 A 1 ATOM 108 C C . ILE A 1 14 ? -2.692 2.070 -4.399 1.00 98.58 14 A 1 ATOM 109 O O . ILE A 1 14 ? -2.976 2.466 -5.533 1.00 98.50 14 A 1 ATOM 110 C CB . ILE A 1 14 ? -4.221 2.659 -2.491 1.00 98.37 14 A 1 ATOM 111 C CG1 . ILE A 1 14 ? -5.364 2.159 -1.601 1.00 97.34 14 A 1 ATOM 112 C CG2 . ILE A 1 14 ? -4.675 3.896 -3.274 1.00 97.18 14 A 1 ATOM 113 C CD1 . ILE A 1 14 ? -5.496 2.962 -0.326 1.00 94.16 14 A 1 ATOM 114 N N . TYR A 1 15 ? -1.481 2.048 -3.914 1.00 98.63 15 A 1 ATOM 115 C CA . TYR A 1 15 ? -0.349 2.499 -4.714 1.00 98.60 15 A 1 ATOM 116 C C . TYR A 1 15 ? -0.191 1.615 -5.949 1.00 98.67 15 A 1 ATOM 117 O O . TYR A 1 15 ? 0.078 2.110 -7.040 1.00 98.57 15 A 1 ATOM 118 C CB . TYR A 1 15 ? 0.920 2.458 -3.865 1.00 98.45 15 A 1 ATOM 119 C CG . TYR A 1 15 ? 2.101 3.080 -4.573 1.00 97.49 15 A 1 ATOM 120 C CD1 . TYR A 1 15 ? 2.058 4.414 -4.984 1.00 95.88 15 A 1 ATOM 121 C CD2 . TYR A 1 15 ? 3.248 2.339 -4.818 1.00 96.00 15 A 1 ATOM 122 C CE1 . TYR A 1 15 ? 3.143 4.990 -5.631 1.00 94.69 15 A 1 ATOM 123 C CE2 . TYR A 1 15 ? 4.339 2.910 -5.466 1.00 94.80 15 A 1 ATOM 124 C CZ . TYR A 1 15 ? 4.280 4.235 -5.872 1.00 95.08 15 A 1 ATOM 125 O OH . TYR A 1 15 ? 5.353 4.802 -6.519 1.00 94.14 15 A 1 ATOM 126 N N . ALA A 1 16 ? -0.376 0.325 -5.766 1.00 98.74 16 A 1 ATOM 127 C CA . ALA A 1 16 ? -0.257 -0.617 -6.877 1.00 98.71 16 A 1 ATOM 128 C C . ALA A 1 16 ? -1.303 -0.318 -7.952 1.00 98.75 16 A 1 ATOM 129 O O . ALA A 1 16 ? -1.039 -0.475 -9.142 1.00 98.52 16 A 1 ATOM 130 C CB . ALA A 1 16 ? -0.420 -2.037 -6.354 1.00 98.55 16 A 1 ATOM 131 N N . LEU A 1 17 ? -2.469 0.116 -7.522 1.00 98.73 17 A 1 ATOM 132 C CA . LEU A 1 17 ? -3.542 0.465 -8.449 1.00 98.69 17 A 1 ATOM 133 C C . LEU A 1 17 ? -3.259 1.795 -9.132 1.00 98.74 17 A 1 ATOM 134 O O . LEU A 1 17 ? -3.523 1.956 -10.324 1.00 98.51 17 A 1 ATOM 135 C CB . LEU A 1 17 ? -4.863 0.535 -7.681 1.00 98.51 17 A 1 ATOM 136 C CG . LEU A 1 17 ? -5.737 -0.691 -7.905 1.00 95.13 17 A 1 ATOM 137 C CD1 . LEU A 1 17 ? -6.613 -0.947 -6.689 1.00 92.33 17 A 1 ATOM 138 C CD2 . LEU A 1 17 ? -6.602 -0.495 -9.139 1.00 93.62 17 A 1 ATOM 139 N N . THR A 1 18 ? -2.729 2.727 -8.373 1.00 98.68 18 A 1 ATOM 140 C CA . THR A 1 18 ? -2.422 4.055 -8.910 1.00 98.64 18 A 1 ATOM 141 C C . THR A 1 18 ? -1.193 4.015 -9.805 1.00 98.68 18 A 1 ATOM 142 O O . THR A 1 18 ? -1.095 4.786 -10.758 1.00 98.23 18 A 1 ATOM 143 C CB . THR A 1 18 ? -2.198 5.033 -7.757 1.00 98.28 18 A 1 ATOM 144 O OG1 . THR A 1 18 ? -3.236 4.880 -6.802 1.00 93.67 18 A 1 ATOM 145 C CG2 . THR A 1 18 ? -2.212 6.468 -8.246 1.00 93.53 18 A 1 ATOM 146 N N . LEU A 1 19 ? -0.280 3.118 -9.500 1.00 98.66 19 A 1 ATOM 147 C CA . LEU A 1 19 ? 0.959 3.006 -10.267 1.00 98.54 19 A 1 ATOM 148 C C . LEU A 1 19 ? 0.668 2.684 -11.727 1.00 98.53 19 A 1 ATOM 149 O O . LEU A 1 19 ? 1.175 3.349 -12.630 1.00 97.96 19 A 1 ATOM 150 C CB . LEU A 1 19 ? 1.850 1.933 -9.638 1.00 98.21 19 A 1 ATOM 151 C CG . LEU A 1 19 ? 3.318 2.346 -9.537 1.00 95.29 19 A 1 ATOM 152 C CD1 . LEU A 1 19 ? 4.040 1.442 -8.543 1.00 92.03 19 A 1 ATOM 153 C CD2 . LEU A 1 19 ? 3.998 2.267 -10.892 1.00 91.66 19 A 1 ATOM 154 N N . CYS A 1 20 ? -0.152 1.671 -11.946 1.00 97.79 20 A 1 ATOM 155 C CA . CYS A 1 20 ? -0.483 1.259 -13.310 1.00 97.70 20 A 1 ATOM 156 C C . CYS A 1 20 ? -1.987 1.308 -13.570 1.00 97.82 20 A 1 ATOM 157 O O . CYS A 1 20 ? -2.417 1.112 -14.704 1.00 96.52 20 A 1 ATOM 158 C CB . CYS A 1 20 ? 0.053 -0.149 -13.554 1.00 96.57 20 A 1 ATOM 159 S SG . CYS A 1 20 ? 0.252 -0.477 -15.318 1.00 91.10 20 A 1 ATOM 160 N N . ILE A 1 21 ? -2.759 1.571 -12.525 1.00 97.42 21 A 1 ATOM 161 C CA . ILE A 1 21 ? -4.228 1.613 -12.621 1.00 97.15 21 A 1 ATOM 162 C C . ILE A 1 21 ? -4.753 0.506 -13.528 1.00 96.92 21 A 1 ATOM 163 O O . ILE A 1 21 ? -5.593 0.734 -14.399 1.00 95.68 21 A 1 ATOM 164 C CB . ILE A 1 21 ? -4.709 2.994 -13.107 1.00 96.31 21 A 1 ATOM 165 C CG1 . ILE A 1 21 ? -3.852 3.524 -14.256 1.00 92.90 21 A 1 ATOM 166 C CG2 . ILE A 1 21 ? -4.713 3.976 -11.940 1.00 90.63 21 A 1 ATOM 167 C CD1 . ILE A 1 21 ? -4.564 4.550 -15.109 1.00 86.46 21 A 1 ATOM 168 N N . CYS A 1 22 ? -4.213 -0.679 -13.303 1.00 95.02 22 A 1 ATOM 169 C CA . CYS A 1 22 ? -4.575 -1.833 -14.117 1.00 92.68 22 A 1 ATOM 170 C C . CYS A 1 22 ? -6.016 -2.253 -13.844 1.00 88.80 22 A 1 ATOM 171 O O . CYS A 1 22 ? -6.332 -2.592 -12.697 1.00 82.97 22 A 1 ATOM 172 C CB . CYS A 1 22 ? -3.617 -2.987 -13.850 1.00 86.84 22 A 1 ATOM 173 S SG . CYS A 1 22 ? -3.066 -3.776 -15.382 1.00 78.46 22 A 1 ATOM 174 O OXT . CYS A 1 22 ? -6.833 -2.219 -14.766 1.00 76.47 22 A 1 #