# 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_spkb36493 # _entry.id spkb36493 # 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 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" "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 LYS 2 1 n VAL 3 1 n LEU 4 1 n LEU 5 1 n CYS 6 1 n LEU 7 1 n VAL 8 1 n CYS 9 1 n SER 10 1 n PHE 11 1 n TYR 12 1 n ILE 13 1 n ILE 14 1 n VAL 15 1 n SER 16 1 n SER 17 1 n ILE 18 1 n THR 19 1 n THR 20 1 n MET 21 1 n THR 22 1 n THR 23 1 n GLY 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 @ 2025-07-09 12:38:26)" _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 92.73 _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 87.77 1 1 A LYS 2 2 87.92 1 2 A VAL 3 2 93.29 1 3 A LEU 4 2 90.10 1 4 A LEU 5 2 93.02 1 5 A CYS 6 2 95.33 1 6 A LEU 7 2 93.66 1 7 A VAL 8 2 97.08 1 8 A CYS 9 2 96.89 1 9 A SER 10 2 96.44 1 10 A PHE 11 2 94.30 1 11 A TYR 12 2 93.87 1 12 A ILE 13 2 96.13 1 13 A ILE 14 2 96.12 1 14 A VAL 15 2 96.20 1 15 A SER 16 2 95.09 1 16 A SER 17 2 95.53 1 17 A ILE 18 2 94.95 1 18 A THR 19 2 93.08 1 19 A THR 20 2 92.14 1 20 A MET 21 2 88.43 1 21 A THR 22 2 89.76 1 22 A THR 23 2 86.65 1 23 A GLY 24 2 80.40 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 LYS . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n TYR . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n GLY . 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 ? 0.218 2.367 18.746 1.00 94.47 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.708 1.309 17.831 1.00 95.31 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.276 0.994 16.697 1.00 95.90 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.139 0.529 15.649 1.00 93.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.078 0.042 18.616 1.00 91.64 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.219 0.320 19.610 1.00 84.78 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.749 -1.158 20.490 1.00 77.61 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.965 -0.459 21.604 1.00 68.78 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.553 1.318 16.862 1.00 95.10 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.575 1.139 15.805 1.00 95.40 2 A 1 ATOM 11 C C . LYS A 1 2 ? -2.350 2.045 14.586 1.00 95.37 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.763 1.688 13.486 1.00 94.70 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -3.976 1.371 16.392 1.00 93.88 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -4.395 0.257 17.357 1.00 86.87 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -5.828 0.475 17.864 1.00 83.06 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -6.267 -0.681 18.763 1.00 77.19 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -7.645 -0.493 19.279 1.00 69.69 2 A 1 ATOM 18 N N . VAL A 1 3 ? -1.676 3.169 14.767 1.00 95.36 3 A 1 ATOM 19 C CA . VAL A 1 3 ? -1.384 4.133 13.694 1.00 96.17 3 A 1 ATOM 20 C C . VAL A 1 3 ? -0.485 3.515 12.620 1.00 96.83 3 A 1 ATOM 21 O O . VAL A 1 3 ? -0.722 3.719 11.432 1.00 95.89 3 A 1 ATOM 22 C CB . VAL A 1 3 ? -0.742 5.404 14.278 1.00 94.79 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? -0.465 6.442 13.196 1.00 86.92 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? -1.650 6.042 15.331 1.00 87.04 3 A 1 ATOM 25 N N . LEU A 1 4 ? 0.493 2.712 13.025 1.00 94.02 4 A 1 ATOM 26 C CA . LEU A 1 4 ? 1.386 2.015 12.099 1.00 94.31 4 A 1 ATOM 27 C C . LEU A 1 4 ? 0.611 1.026 11.222 1.00 95.48 4 A 1 ATOM 28 O O . LEU A 1 4 ? 0.815 0.978 10.014 1.00 95.98 4 A 1 ATOM 29 C CB . LEU A 1 4 ? 2.489 1.293 12.894 1.00 94.70 4 A 1 ATOM 30 C CG . LEU A 1 4 ? 3.884 1.544 12.306 1.00 83.12 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? 4.588 2.655 13.086 1.00 79.93 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? 4.740 0.288 12.374 1.00 83.23 4 A 1 ATOM 33 N N . LEU A 1 5 ? -0.302 0.279 11.820 1.00 97.00 5 A 1 ATOM 34 C CA . LEU A 1 5 ? -1.153 -0.668 11.102 1.00 96.79 5 A 1 ATOM 35 C C . LEU A 1 5 ? -2.066 0.049 10.101 1.00 97.24 5 A 1 ATOM 36 O O . LEU A 1 5 ? -2.240 -0.417 8.977 1.00 97.17 5 A 1 ATOM 37 C CB . LEU A 1 5 ? -1.986 -1.475 12.116 1.00 96.62 5 A 1 ATOM 38 C CG . LEU A 1 5 ? -1.971 -2.982 11.809 1.00 87.47 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? -0.857 -3.665 12.607 1.00 84.75 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? -3.301 -3.623 12.183 1.00 87.09 5 A 1 ATOM 41 N N . CYS A 1 6 ? -2.604 1.194 10.493 1.00 97.37 6 A 1 ATOM 42 C CA . CYS A 1 6 ? -3.443 2.022 9.631 1.00 97.49 6 A 1 ATOM 43 C C . CYS A 1 6 ? -2.652 2.570 8.431 1.00 97.76 6 A 1 ATOM 44 O O . CYS A 1 6 ? -3.134 2.518 7.301 1.00 97.04 6 A 1 ATOM 45 C CB . CYS A 1 6 ? -4.043 3.144 10.484 1.00 96.52 6 A 1 ATOM 46 S SG . CYS A 1 6 ? -5.316 4.011 9.536 1.00 85.80 6 A 1 ATOM 47 N N . LEU A 1 7 ? -1.414 3.016 8.656 1.00 97.52 7 A 1 ATOM 48 C CA . LEU A 1 7 ? -0.511 3.470 7.599 1.00 97.57 7 A 1 ATOM 49 C C . LEU A 1 7 ? -0.184 2.346 6.617 1.00 97.92 7 A 1 ATOM 50 O O . LEU A 1 7 ? -0.289 2.546 5.408 1.00 97.76 7 A 1 ATOM 51 C CB . LEU A 1 7 ? 0.772 4.021 8.245 1.00 97.42 7 A 1 ATOM 52 C CG . LEU A 1 7 ? 0.644 5.502 8.625 1.00 87.97 7 A 1 ATOM 53 C CD1 . LEU A 1 7 ? 1.659 5.871 9.704 1.00 85.28 7 A 1 ATOM 54 C CD2 . LEU A 1 7 ? 0.895 6.391 7.411 1.00 87.86 7 A 1 ATOM 55 N N . VAL A 1 8 ? 0.161 1.172 7.117 1.00 98.16 8 A 1 ATOM 56 C CA . VAL A 1 8 ? 0.451 -0.004 6.286 1.00 98.00 8 A 1 ATOM 57 C C . VAL A 1 8 ? -0.778 -0.409 5.472 1.00 98.06 8 A 1 ATOM 58 O O . VAL A 1 8 ? -0.658 -0.682 4.282 1.00 97.57 8 A 1 ATOM 59 C CB . VAL A 1 8 ? 0.953 -1.172 7.156 1.00 97.60 8 A 1 ATOM 60 C CG1 . VAL A 1 8 ? 1.110 -2.466 6.358 1.00 95.23 8 A 1 ATOM 61 C CG2 . VAL A 1 8 ? 2.322 -0.843 7.759 1.00 94.97 8 A 1 ATOM 62 N N . CYS A 1 9 ? -1.948 -0.397 6.074 1.00 98.24 9 A 1 ATOM 63 C CA . CYS A 1 9 ? -3.196 -0.714 5.387 1.00 98.17 9 A 1 ATOM 64 C C . CYS A 1 9 ? -3.493 0.298 4.266 1.00 98.24 9 A 1 ATOM 65 O O . CYS A 1 9 ? -3.785 -0.101 3.140 1.00 97.65 9 A 1 ATOM 66 C CB . CYS A 1 9 ? -4.323 -0.760 6.429 1.00 97.67 9 A 1 ATOM 67 S SG . CYS A 1 9 ? -5.831 -1.414 5.681 1.00 91.37 9 A 1 ATOM 68 N N . SER A 1 10 ? -3.345 1.581 4.532 1.00 97.60 10 A 1 ATOM 69 C CA . SER A 1 10 ? -3.529 2.633 3.529 1.00 97.64 10 A 1 ATOM 70 C C . SER A 1 10 ? -2.513 2.507 2.391 1.00 97.94 10 A 1 ATOM 71 O O . SER A 1 10 ? -2.882 2.598 1.223 1.00 97.32 10 A 1 ATOM 72 C CB . SER A 1 10 ? -3.401 4.008 4.181 1.00 97.00 10 A 1 ATOM 73 O OG . SER A 1 10 ? -4.389 4.183 5.172 1.00 91.16 10 A 1 ATOM 74 N N . PHE A 1 11 ? -1.250 2.232 2.722 1.00 97.55 11 A 1 ATOM 75 C CA . PHE A 1 11 ? -0.201 2.007 1.733 1.00 97.59 11 A 1 ATOM 76 C C . PHE A 1 11 ? -0.507 0.795 0.855 1.00 97.68 11 A 1 ATOM 77 O O . PHE A 1 11 ? -0.368 0.867 -0.362 1.00 97.19 11 A 1 ATOM 78 C CB . PHE A 1 11 ? 1.135 1.858 2.461 1.00 97.43 11 A 1 ATOM 79 C CG . PHE A 1 11 ? 2.305 1.755 1.511 1.00 94.50 11 A 1 ATOM 80 C CD1 . PHE A 1 11 ? 2.769 2.907 0.850 1.00 91.34 11 A 1 ATOM 81 C CD2 . PHE A 1 11 ? 2.918 0.516 1.272 1.00 92.27 11 A 1 ATOM 82 C CE1 . PHE A 1 11 ? 3.842 2.827 -0.050 1.00 90.24 11 A 1 ATOM 83 C CE2 . PHE A 1 11 ? 3.997 0.427 0.365 1.00 90.31 11 A 1 ATOM 84 C CZ . PHE A 1 11 ? 4.455 1.583 -0.294 1.00 91.15 11 A 1 ATOM 85 N N . TYR A 1 12 ? -0.986 -0.292 1.453 1.00 96.88 12 A 1 ATOM 86 C CA . TYR A 1 12 ? -1.349 -1.499 0.720 1.00 96.57 12 A 1 ATOM 87 C C . TYR A 1 12 ? -2.475 -1.245 -0.292 1.00 96.67 12 A 1 ATOM 88 O O . TYR A 1 12 ? -2.401 -1.715 -1.429 1.00 96.37 12 A 1 ATOM 89 C CB . TYR A 1 12 ? -1.745 -2.583 1.726 1.00 96.77 12 A 1 ATOM 90 C CG . TYR A 1 12 ? -1.761 -3.959 1.108 1.00 92.93 12 A 1 ATOM 91 C CD1 . TYR A 1 12 ? -2.943 -4.485 0.555 1.00 92.16 12 A 1 ATOM 92 C CD2 . TYR A 1 12 ? -0.571 -4.710 1.065 1.00 91.86 12 A 1 ATOM 93 C CE1 . TYR A 1 12 ? -2.936 -5.756 -0.033 1.00 91.06 12 A 1 ATOM 94 C CE2 . TYR A 1 12 ? -0.564 -5.982 0.479 1.00 91.76 12 A 1 ATOM 95 C CZ . TYR A 1 12 ? -1.745 -6.502 -0.068 1.00 93.03 12 A 1 ATOM 96 O OH . TYR A 1 12 ? -1.741 -7.745 -0.645 1.00 90.34 12 A 1 ATOM 97 N N . ILE A 1 13 ? -3.474 -0.459 0.072 1.00 98.05 13 A 1 ATOM 98 C CA . ILE A 1 13 ? -4.565 -0.072 -0.832 1.00 97.88 13 A 1 ATOM 99 C C . ILE A 1 13 ? -4.022 0.743 -2.014 1.00 97.94 13 A 1 ATOM 100 O O . ILE A 1 13 ? -4.377 0.471 -3.165 1.00 97.35 13 A 1 ATOM 101 C CB . ILE A 1 13 ? -5.656 0.697 -0.060 1.00 97.60 13 A 1 ATOM 102 C CG1 . ILE A 1 13 ? -6.347 -0.224 0.968 1.00 95.48 13 A 1 ATOM 103 C CG2 . ILE A 1 13 ? -6.715 1.266 -1.020 1.00 94.79 13 A 1 ATOM 104 C CD1 . ILE A 1 13 ? -7.159 0.542 2.016 1.00 89.94 13 A 1 ATOM 105 N N . ILE A 1 14 ? -3.135 1.697 -1.750 1.00 97.80 14 A 1 ATOM 106 C CA . ILE A 1 14 ? -2.523 2.530 -2.789 1.00 97.58 14 A 1 ATOM 107 C C . ILE A 1 14 ? -1.679 1.669 -3.733 1.00 97.60 14 A 1 ATOM 108 O O . ILE A 1 14 ? -1.839 1.760 -4.951 1.00 97.15 14 A 1 ATOM 109 C CB . ILE A 1 14 ? -1.693 3.657 -2.146 1.00 97.33 14 A 1 ATOM 110 C CG1 . ILE A 1 14 ? -2.604 4.641 -1.382 1.00 95.39 14 A 1 ATOM 111 C CG2 . ILE A 1 14 ? -0.893 4.422 -3.211 1.00 95.03 14 A 1 ATOM 112 C CD1 . ILE A 1 14 ? -1.845 5.542 -0.408 1.00 91.12 14 A 1 ATOM 113 N N . VAL A 1 15 ? -0.822 0.813 -3.196 1.00 97.94 15 A 1 ATOM 114 C CA . VAL A 1 15 ? 0.019 -0.090 -3.992 1.00 97.56 15 A 1 ATOM 115 C C . VAL A 1 15 ? -0.835 -1.030 -4.836 1.00 97.54 15 A 1 ATOM 116 O O . VAL A 1 15 ? -0.567 -1.183 -6.022 1.00 97.01 15 A 1 ATOM 117 C CB . VAL A 1 15 ? 0.978 -0.883 -3.091 1.00 96.87 15 A 1 ATOM 118 C CG1 . VAL A 1 15 ? 1.722 -1.979 -3.850 1.00 92.96 15 A 1 ATOM 119 C CG2 . VAL A 1 15 ? 2.028 0.047 -2.504 1.00 93.51 15 A 1 ATOM 120 N N . SER A 1 16 ? -1.881 -1.600 -4.272 1.00 97.83 16 A 1 ATOM 121 C CA . SER A 1 16 ? -2.807 -2.461 -5.009 1.00 97.48 16 A 1 ATOM 122 C C . SER A 1 16 ? -3.467 -1.713 -6.172 1.00 97.57 16 A 1 ATOM 123 O O . SER A 1 16 ? -3.541 -2.242 -7.278 1.00 96.63 16 A 1 ATOM 124 C CB . SER A 1 16 ? -3.864 -3.006 -4.049 1.00 96.67 16 A 1 ATOM 125 O OG . SER A 1 16 ? -4.656 -3.969 -4.700 1.00 84.38 16 A 1 ATOM 126 N N . SER A 1 17 ? -3.868 -0.471 -5.969 1.00 97.56 17 A 1 ATOM 127 C CA . SER A 1 17 ? -4.462 0.366 -7.013 1.00 97.41 17 A 1 ATOM 128 C C . SER A 1 17 ? -3.463 0.684 -8.136 1.00 97.56 17 A 1 ATOM 129 O O . SER A 1 17 ? -3.802 0.558 -9.311 1.00 96.41 17 A 1 ATOM 130 C CB . SER A 1 17 ? -4.994 1.648 -6.379 1.00 96.72 17 A 1 ATOM 131 O OG . SER A 1 17 ? -5.921 2.256 -7.235 1.00 87.51 17 A 1 ATOM 132 N N . ILE A 1 18 ? -2.222 1.019 -7.795 1.00 97.66 18 A 1 ATOM 133 C CA . ILE A 1 18 ? -1.155 1.293 -8.765 1.00 97.22 18 A 1 ATOM 134 C C . ILE A 1 18 ? -0.803 0.029 -9.552 1.00 97.29 18 A 1 ATOM 135 O O . ILE A 1 18 ? -0.683 0.075 -10.775 1.00 96.68 18 A 1 ATOM 136 C CB . ILE A 1 18 ? 0.084 1.866 -8.058 1.00 96.70 18 A 1 ATOM 137 C CG1 . ILE A 1 18 ? -0.224 3.248 -7.449 1.00 94.09 18 A 1 ATOM 138 C CG2 . ILE A 1 18 ? 1.270 1.984 -9.029 1.00 92.71 18 A 1 ATOM 139 C CD1 . ILE A 1 18 ? 0.821 3.718 -6.439 1.00 87.25 18 A 1 ATOM 140 N N . THR A 1 19 ? -0.668 -1.100 -8.874 1.00 97.42 19 A 1 ATOM 141 C CA . THR A 1 19 ? -0.353 -2.379 -9.519 1.00 97.03 19 A 1 ATOM 142 C C . THR A 1 19 ? -1.445 -2.775 -10.508 1.00 97.01 19 A 1 ATOM 143 O O . THR A 1 19 ? -1.140 -3.205 -11.613 1.00 95.88 19 A 1 ATOM 144 C CB . THR A 1 19 ? -0.159 -3.485 -8.474 1.00 95.99 19 A 1 ATOM 145 O OG1 . THR A 1 19 ? 0.824 -3.105 -7.540 1.00 86.45 19 A 1 ATOM 146 C CG2 . THR A 1 19 ? 0.326 -4.789 -9.097 1.00 81.81 19 A 1 ATOM 147 N N . THR A 1 20 ? -2.700 -2.569 -10.168 1.00 97.07 20 A 1 ATOM 148 C CA . THR A 1 20 ? -3.817 -2.825 -11.082 1.00 96.64 20 A 1 ATOM 149 C C . THR A 1 20 ? -3.754 -1.917 -12.314 1.00 96.55 20 A 1 ATOM 150 O O . THR A 1 20 ? -3.983 -2.390 -13.421 1.00 94.84 20 A 1 ATOM 151 C CB . THR A 1 20 ? -5.154 -2.650 -10.359 1.00 95.07 20 A 1 ATOM 152 O OG1 . THR A 1 20 ? -5.195 -3.456 -9.202 1.00 84.56 20 A 1 ATOM 153 C CG2 . THR A 1 20 ? -6.327 -3.091 -11.227 1.00 80.28 20 A 1 ATOM 154 N N . MET A 1 21 ? -3.392 -0.643 -12.150 1.00 97.16 21 A 1 ATOM 155 C CA . MET A 1 21 ? -3.224 0.287 -13.274 1.00 96.88 21 A 1 ATOM 156 C C . MET A 1 21 ? -2.032 -0.050 -14.172 1.00 96.62 21 A 1 ATOM 157 O O . MET A 1 21 ? -2.086 0.219 -15.364 1.00 94.46 21 A 1 ATOM 158 C CB . MET A 1 21 ? -3.070 1.723 -12.760 1.00 95.60 21 A 1 ATOM 159 C CG . MET A 1 21 ? -4.411 2.438 -12.721 1.00 85.82 21 A 1 ATOM 160 S SD . MET A 1 21 ? -4.235 4.198 -12.383 1.00 74.76 21 A 1 ATOM 161 C CE . MET A 1 21 ? -5.846 4.772 -12.921 1.00 66.11 21 A 1 ATOM 162 N N . THR A 1 22 ? -0.963 -0.619 -13.616 1.00 95.38 22 A 1 ATOM 163 C CA . THR A 1 22 ? 0.248 -0.950 -14.384 1.00 94.95 22 A 1 ATOM 164 C C . THR A 1 22 ? 0.177 -2.315 -15.063 1.00 94.26 22 A 1 ATOM 165 O O . THR A 1 22 ? 0.931 -2.562 -16.000 1.00 92.27 22 A 1 ATOM 166 C CB . THR A 1 22 ? 1.496 -0.880 -13.504 1.00 93.33 22 A 1 ATOM 167 O OG1 . THR A 1 22 ? 1.310 -1.548 -12.283 1.00 80.79 22 A 1 ATOM 168 C CG2 . THR A 1 22 ? 1.873 0.556 -13.185 1.00 77.34 22 A 1 ATOM 169 N N . THR A 1 23 ? -0.694 -3.183 -14.612 1.00 93.95 23 A 1 ATOM 170 C CA . THR A 1 23 ? -0.841 -4.544 -15.157 1.00 92.54 23 A 1 ATOM 171 C C . THR A 1 23 ? -2.004 -4.654 -16.153 1.00 90.75 23 A 1 ATOM 172 O O . THR A 1 23 ? -2.094 -5.652 -16.862 1.00 85.77 23 A 1 ATOM 173 C CB . THR A 1 23 ? -1.002 -5.568 -14.019 1.00 89.70 23 A 1 ATOM 174 O OG1 . THR A 1 23 ? -0.065 -5.331 -12.982 1.00 78.04 23 A 1 ATOM 175 C CG2 . THR A 1 23 ? -0.766 -7.005 -14.462 1.00 75.83 23 A 1 ATOM 176 N N . GLY A 1 24 ? -2.871 -3.650 -16.204 1.00 89.48 24 A 1 ATOM 177 C CA . GLY A 1 24 ? -4.013 -3.604 -17.128 1.00 84.66 24 A 1 ATOM 178 C C . GLY A 1 24 ? -3.751 -2.738 -18.351 1.00 78.63 24 A 1 ATOM 179 O O . GLY A 1 24 ? -4.241 -3.094 -19.430 1.00 71.43 24 A 1 ATOM 180 O OXT . GLY A 1 24 ? -3.082 -1.692 -18.216 1.00 77.78 24 A 1 #