# 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_spkb16566 # _entry.id spkb16566 # 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 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 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" "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 ALA 2 1 n GLU 3 1 n SER 4 1 n THR 5 1 n THR 6 1 n THR 7 1 n CYS 8 1 n PHE 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n VAL 13 1 n THR 14 1 n GLY 15 1 n TYR 16 1 n VAL 17 1 n THR 18 1 n ALA 19 1 n VAL 20 1 n MET 21 1 n SER 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 @ 2025-07-10 13:51:58)" _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 90.48 _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 74.72 1 1 A ALA 2 2 82.09 1 2 A GLU 3 2 77.71 1 3 A SER 4 2 88.77 1 4 A THR 5 2 89.87 1 5 A THR 6 2 91.36 1 6 A THR 7 2 91.62 1 7 A CYS 8 2 94.28 1 8 A PHE 9 2 92.90 1 9 A LEU 10 2 92.35 1 10 A LEU 11 2 93.28 1 11 A LEU 12 2 93.20 1 12 A VAL 13 2 95.63 1 13 A THR 14 2 93.66 1 14 A GLY 15 2 95.83 1 15 A TYR 16 2 92.15 1 16 A VAL 17 2 95.37 1 17 A THR 18 2 94.62 1 18 A ALA 19 2 96.35 1 19 A VAL 20 2 94.97 1 20 A MET 21 2 87.90 1 21 A SER 22 2 86.35 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 GLU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n SER . 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 ? 3.637 -16.495 5.898 1.00 81.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.663 -15.160 6.539 1.00 84.28 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.562 -14.015 5.511 1.00 84.88 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.164 -12.977 5.705 1.00 78.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.926 -15.019 7.415 1.00 76.40 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.845 -15.844 8.707 1.00 69.81 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.363 -15.701 9.689 1.00 63.51 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.825 -16.469 11.223 1.00 58.67 1 A 1 ATOM 9 N N . ALA A 1 2 ? 2.838 -14.208 4.413 1.00 80.46 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 2.713 -13.193 3.358 1.00 84.69 2 A 1 ATOM 11 C C . ALA A 1 2 ? 1.484 -12.284 3.534 1.00 85.94 2 A 1 ATOM 12 O O . ALA A 1 2 ? 1.475 -11.166 3.031 1.00 81.90 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 2.692 -13.915 2.009 1.00 77.47 2 A 1 ATOM 14 N N . GLU A 1 3 ? 0.466 -12.727 4.288 1.00 86.49 3 A 1 ATOM 15 C CA . GLU A 1 3 ? -0.803 -11.998 4.450 1.00 89.10 3 A 1 ATOM 16 C C . GLU A 1 3 ? -0.616 -10.631 5.119 1.00 89.83 3 A 1 ATOM 17 O O . GLU A 1 3 ? -1.175 -9.634 4.655 1.00 87.04 3 A 1 ATOM 18 C CB . GLU A 1 3 ? -1.782 -12.854 5.264 1.00 83.67 3 A 1 ATOM 19 C CG . GLU A 1 3 ? -2.153 -14.143 4.528 1.00 71.06 3 A 1 ATOM 20 C CD . GLU A 1 3 ? -3.111 -14.982 5.377 1.00 66.81 3 A 1 ATOM 21 O OE1 . GLU A 1 3 ? -4.324 -14.915 5.126 1.00 61.30 3 A 1 ATOM 22 O OE2 . GLU A 1 3 ? -2.606 -15.677 6.291 1.00 64.07 3 A 1 ATOM 23 N N . SER A 1 4 ? 0.227 -10.540 6.152 1.00 90.84 4 A 1 ATOM 24 C CA . SER A 1 4 ? 0.511 -9.272 6.838 1.00 93.03 4 A 1 ATOM 25 C C . SER A 1 4 ? 1.231 -8.270 5.928 1.00 93.93 4 A 1 ATOM 26 O O . SER A 1 4 ? 0.897 -7.086 5.904 1.00 91.56 4 A 1 ATOM 27 C CB . SER A 1 4 ? 1.337 -9.549 8.093 1.00 88.44 4 A 1 ATOM 28 O OG . SER A 1 4 ? 1.500 -8.364 8.842 1.00 74.82 4 A 1 ATOM 29 N N . THR A 1 5 ? 2.177 -8.739 5.116 1.00 92.36 5 A 1 ATOM 30 C CA . THR A 1 5 ? 2.907 -7.911 4.145 1.00 94.15 5 A 1 ATOM 31 C C . THR A 1 5 ? 1.980 -7.423 3.033 1.00 94.89 5 A 1 ATOM 32 O O . THR A 1 5 ? 2.033 -6.253 2.665 1.00 93.77 5 A 1 ATOM 33 C CB . THR A 1 5 ? 4.078 -8.696 3.542 1.00 91.84 5 A 1 ATOM 34 O OG1 . THR A 1 5 ? 4.827 -9.308 4.575 1.00 82.68 5 A 1 ATOM 35 C CG2 . THR A 1 5 ? 5.030 -7.798 2.760 1.00 79.41 5 A 1 ATOM 36 N N . THR A 1 6 ? 1.090 -8.286 2.533 1.00 93.74 6 A 1 ATOM 37 C CA . THR A 1 6 ? 0.090 -7.926 1.518 1.00 94.91 6 A 1 ATOM 38 C C . THR A 1 6 ? -0.891 -6.883 2.051 1.00 95.60 6 A 1 ATOM 39 O O . THR A 1 6 ? -1.156 -5.895 1.372 1.00 94.90 6 A 1 ATOM 40 C CB . THR A 1 6 ? -0.672 -9.173 1.048 1.00 93.45 6 A 1 ATOM 41 O OG1 . THR A 1 6 ? 0.248 -10.133 0.573 1.00 85.06 6 A 1 ATOM 42 C CG2 . THR A 1 6 ? -1.629 -8.870 -0.102 1.00 81.83 6 A 1 ATOM 43 N N . THR A 1 7 ? -1.379 -7.036 3.284 1.00 94.12 7 A 1 ATOM 44 C CA . THR A 1 7 ? -2.270 -6.057 3.923 1.00 95.00 7 A 1 ATOM 45 C C . THR A 1 7 ? -1.578 -4.706 4.102 1.00 95.93 7 A 1 ATOM 46 O O . THR A 1 7 ? -2.153 -3.674 3.763 1.00 95.33 7 A 1 ATOM 47 C CB . THR A 1 7 ? -2.766 -6.575 5.281 1.00 93.42 7 A 1 ATOM 48 O OG1 . THR A 1 7 ? -3.409 -7.821 5.108 1.00 85.11 7 A 1 ATOM 49 C CG2 . THR A 1 7 ? -3.784 -5.641 5.928 1.00 82.45 7 A 1 ATOM 50 N N . CYS A 1 8 ? -0.336 -4.698 4.569 1.00 94.90 8 A 1 ATOM 51 C CA . CYS A 1 8 ? 0.451 -3.472 4.704 1.00 95.75 8 A 1 ATOM 52 C C . CYS A 1 8 ? 0.659 -2.782 3.343 1.00 96.43 8 A 1 ATOM 53 O O . CYS A 1 8 ? 0.481 -1.571 3.227 1.00 95.56 8 A 1 ATOM 54 C CB . CYS A 1 8 ? 1.786 -3.824 5.373 1.00 94.17 8 A 1 ATOM 55 S SG . CYS A 1 8 ? 2.713 -2.308 5.730 1.00 88.85 8 A 1 ATOM 56 N N . PHE A 1 9 ? 0.968 -3.560 2.294 1.00 94.34 9 A 1 ATOM 57 C CA . PHE A 1 9 ? 1.129 -3.046 0.937 1.00 95.04 9 A 1 ATOM 58 C C . PHE A 1 9 ? -0.172 -2.432 0.401 1.00 96.24 9 A 1 ATOM 59 O O . PHE A 1 9 ? -0.149 -1.324 -0.133 1.00 96.13 9 A 1 ATOM 60 C CB . PHE A 1 9 ? 1.635 -4.171 0.032 1.00 94.59 9 A 1 ATOM 61 C CG . PHE A 1 9 ? 1.934 -3.698 -1.374 1.00 93.79 9 A 1 ATOM 62 C CD1 . PHE A 1 9 ? 1.008 -3.909 -2.412 1.00 91.07 9 A 1 ATOM 63 C CD2 . PHE A 1 9 ? 3.132 -3.018 -1.636 1.00 91.34 9 A 1 ATOM 64 C CE1 . PHE A 1 9 ? 1.278 -3.443 -3.707 1.00 89.81 9 A 1 ATOM 65 C CE2 . PHE A 1 9 ? 3.404 -2.547 -2.933 1.00 89.28 9 A 1 ATOM 66 C CZ . PHE A 1 9 ? 2.477 -2.762 -3.965 1.00 90.29 9 A 1 ATOM 67 N N . LEU A 1 10 ? -1.316 -3.097 0.601 1.00 95.68 10 A 1 ATOM 68 C CA . LEU A 1 10 ? -2.625 -2.572 0.196 1.00 95.84 10 A 1 ATOM 69 C C . LEU A 1 10 ? -2.966 -1.260 0.917 1.00 96.74 10 A 1 ATOM 70 O O . LEU A 1 10 ? -3.463 -0.330 0.283 1.00 96.62 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -3.709 -3.628 0.468 1.00 95.02 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -3.678 -4.827 -0.496 1.00 87.44 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -4.672 -5.882 -0.013 1.00 85.66 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? -4.044 -4.430 -1.924 1.00 85.81 10 A 1 ATOM 75 N N . LEU A 1 11 ? -2.658 -1.152 2.209 1.00 95.96 11 A 1 ATOM 76 C CA . LEU A 1 11 ? -2.847 0.084 2.971 1.00 96.06 11 A 1 ATOM 77 C C . LEU A 1 11 ? -1.970 1.223 2.435 1.00 96.77 11 A 1 ATOM 78 O O . LEU A 1 11 ? -2.459 2.341 2.274 1.00 96.25 11 A 1 ATOM 79 C CB . LEU A 1 11 ? -2.550 -0.175 4.457 1.00 95.28 11 A 1 ATOM 80 C CG . LEU A 1 11 ? -3.617 -1.025 5.174 1.00 90.30 11 A 1 ATOM 81 C CD1 . LEU A 1 11 ? -3.119 -1.385 6.575 1.00 88.06 11 A 1 ATOM 82 C CD2 . LEU A 1 11 ? -4.945 -0.283 5.310 1.00 87.60 11 A 1 ATOM 83 N N . LEU A 1 12 ? -0.715 0.942 2.100 1.00 96.32 12 A 1 ATOM 84 C CA . LEU A 1 12 ? 0.196 1.926 1.509 1.00 96.48 12 A 1 ATOM 85 C C . LEU A 1 12 ? -0.294 2.404 0.136 1.00 96.68 12 A 1 ATOM 86 O O . LEU A 1 12 ? -0.320 3.609 -0.114 1.00 96.06 12 A 1 ATOM 87 C CB . LEU A 1 12 ? 1.606 1.322 1.393 1.00 95.86 12 A 1 ATOM 88 C CG . LEU A 1 12 ? 2.348 1.179 2.736 1.00 89.79 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? 3.641 0.389 2.515 1.00 87.21 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? 2.701 2.536 3.343 1.00 87.18 12 A 1 ATOM 91 N N . VAL A 1 13 ? -0.731 1.483 -0.730 1.00 96.63 13 A 1 ATOM 92 C CA . VAL A 1 13 ? -1.278 1.820 -2.054 1.00 96.71 13 A 1 ATOM 93 C C . VAL A 1 13 ? -2.556 2.649 -1.915 1.00 96.85 13 A 1 ATOM 94 O O . VAL A 1 13 ? -2.692 3.674 -2.580 1.00 96.08 13 A 1 ATOM 95 C CB . VAL A 1 13 ? -1.525 0.543 -2.883 1.00 95.91 13 A 1 ATOM 96 C CG1 . VAL A 1 13 ? -2.262 0.836 -4.197 1.00 93.53 13 A 1 ATOM 97 C CG2 . VAL A 1 13 ? -0.192 -0.116 -3.256 1.00 93.68 13 A 1 ATOM 98 N N . THR A 1 14 ? -3.466 2.267 -1.019 1.00 96.72 14 A 1 ATOM 99 C CA . THR A 1 14 ? -4.708 3.011 -0.773 1.00 96.45 14 A 1 ATOM 100 C C . THR A 1 14 ? -4.415 4.421 -0.254 1.00 96.56 14 A 1 ATOM 101 O O . THR A 1 14 ? -4.987 5.389 -0.757 1.00 95.25 14 A 1 ATOM 102 C CB . THR A 1 14 ? -5.606 2.258 0.224 1.00 95.29 14 A 1 ATOM 103 O OG1 . THR A 1 14 ? -5.878 0.953 -0.245 1.00 88.48 14 A 1 ATOM 104 C CG2 . THR A 1 14 ? -6.962 2.939 0.411 1.00 86.89 14 A 1 ATOM 105 N N . GLY A 1 15 ? -3.497 4.556 0.690 1.00 96.20 15 A 1 ATOM 106 C CA . GLY A 1 15 ? -3.055 5.857 1.198 1.00 95.72 15 A 1 ATOM 107 C C . GLY A 1 15 ? -2.424 6.730 0.109 1.00 96.16 15 A 1 ATOM 108 O O . GLY A 1 15 ? -2.752 7.912 0.005 1.00 95.25 15 A 1 ATOM 109 N N . TYR A 1 16 ? -1.582 6.141 -0.746 1.00 95.04 16 A 1 ATOM 110 C CA . TYR A 1 16 ? -0.965 6.839 -1.878 1.00 95.11 16 A 1 ATOM 111 C C . TYR A 1 16 ? -2.011 7.335 -2.886 1.00 95.60 16 A 1 ATOM 112 O O . TYR A 1 16 ? -2.002 8.513 -3.244 1.00 94.94 16 A 1 ATOM 113 C CB . TYR A 1 16 ? 0.056 5.915 -2.553 1.00 94.81 16 A 1 ATOM 114 C CG . TYR A 1 16 ? 0.716 6.550 -3.765 1.00 93.54 16 A 1 ATOM 115 C CD1 . TYR A 1 16 ? 0.269 6.235 -5.065 1.00 90.83 16 A 1 ATOM 116 C CD2 . TYR A 1 16 ? 1.751 7.490 -3.585 1.00 90.40 16 A 1 ATOM 117 C CE1 . TYR A 1 16 ? 0.857 6.858 -6.180 1.00 88.31 16 A 1 ATOM 118 C CE2 . TYR A 1 16 ? 2.340 8.117 -4.699 1.00 89.23 16 A 1 ATOM 119 C CZ . TYR A 1 16 ? 1.889 7.801 -5.998 1.00 89.36 16 A 1 ATOM 120 O OH . TYR A 1 16 ? 2.454 8.412 -7.083 1.00 88.58 16 A 1 ATOM 121 N N . VAL A 1 17 ? -2.946 6.470 -3.298 1.00 96.15 17 A 1 ATOM 122 C CA . VAL A 1 17 ? -4.023 6.848 -4.228 1.00 96.27 17 A 1 ATOM 123 C C . VAL A 1 17 ? -4.880 7.967 -3.636 1.00 96.73 17 A 1 ATOM 124 O O . VAL A 1 17 ? -5.160 8.948 -4.322 1.00 96.10 17 A 1 ATOM 125 C CB . VAL A 1 17 ? -4.879 5.621 -4.595 1.00 95.42 17 A 1 ATOM 126 C CG1 . VAL A 1 17 ? -6.127 5.997 -5.400 1.00 93.55 17 A 1 ATOM 127 C CG2 . VAL A 1 17 ? -4.071 4.640 -5.452 1.00 93.39 17 A 1 ATOM 128 N N . THR A 1 18 ? -5.237 7.870 -2.356 1.00 96.99 18 A 1 ATOM 129 C CA . THR A 1 18 ? -5.996 8.919 -1.663 1.00 96.75 18 A 1 ATOM 130 C C . THR A 1 18 ? -5.225 10.242 -1.641 1.00 97.17 18 A 1 ATOM 131 O O . THR A 1 18 ? -5.811 11.282 -1.925 1.00 96.62 18 A 1 ATOM 132 C CB . THR A 1 18 ? -6.340 8.486 -0.229 1.00 95.54 18 A 1 ATOM 133 O OG1 . THR A 1 18 ? -7.052 7.264 -0.241 1.00 90.10 18 A 1 ATOM 134 C CG2 . THR A 1 18 ? -7.236 9.497 0.486 1.00 89.16 18 A 1 ATOM 135 N N . ALA A 1 19 ? -3.929 10.215 -1.359 1.00 96.51 19 A 1 ATOM 136 C CA . ALA A 1 19 ? -3.099 11.420 -1.340 1.00 96.58 19 A 1 ATOM 137 C C . ALA A 1 19 ? -2.951 12.064 -2.733 1.00 97.01 19 A 1 ATOM 138 O O . ALA A 1 19 ? -2.919 13.286 -2.835 1.00 96.00 19 A 1 ATOM 139 C CB . ALA A 1 19 ? -1.728 11.060 -0.750 1.00 95.66 19 A 1 ATOM 140 N N . VAL A 1 20 ? -2.885 11.257 -3.804 1.00 96.64 20 A 1 ATOM 141 C CA . VAL A 1 20 ? -2.781 11.756 -5.189 1.00 96.79 20 A 1 ATOM 142 C C . VAL A 1 20 ? -4.116 12.315 -5.696 1.00 96.87 20 A 1 ATOM 143 O O . VAL A 1 20 ? -4.122 13.256 -6.489 1.00 95.91 20 A 1 ATOM 144 C CB . VAL A 1 20 ? -2.248 10.646 -6.115 1.00 95.85 20 A 1 ATOM 145 C CG1 . VAL A 1 20 ? -2.274 11.028 -7.602 1.00 91.58 20 A 1 ATOM 146 C CG2 . VAL A 1 20 ? -0.791 10.318 -5.772 1.00 91.18 20 A 1 ATOM 147 N N . MET A 1 21 ? -5.244 11.741 -5.255 1.00 95.23 21 A 1 ATOM 148 C CA . MET A 1 21 ? -6.582 12.195 -5.663 1.00 94.83 21 A 1 ATOM 149 C C . MET A 1 21 ? -7.122 13.353 -4.809 1.00 94.61 21 A 1 ATOM 150 O O . MET A 1 21 ? -8.163 13.910 -5.166 1.00 92.74 21 A 1 ATOM 151 C CB . MET A 1 21 ? -7.571 11.017 -5.650 1.00 92.70 21 A 1 ATOM 152 C CG . MET A 1 21 ? -7.265 9.979 -6.734 1.00 86.71 21 A 1 ATOM 153 S SD . MET A 1 21 ? -8.645 8.833 -7.056 1.00 77.45 21 A 1 ATOM 154 C CE . MET A 1 21 ? -9.528 9.756 -8.345 1.00 68.91 21 A 1 ATOM 155 N N . SER A 1 22 ? -6.446 13.700 -3.721 1.00 94.12 22 A 1 ATOM 156 C CA . SER A 1 22 ? -6.865 14.776 -2.815 1.00 93.25 22 A 1 ATOM 157 C C . SER A 1 22 ? -6.224 16.112 -3.178 1.00 90.25 22 A 1 ATOM 158 O O . SER A 1 22 ? -6.880 17.151 -2.960 1.00 83.33 22 A 1 ATOM 159 C CB . SER A 1 22 ? -6.543 14.395 -1.366 1.00 88.39 22 A 1 ATOM 160 O OG . SER A 1 22 ? -7.211 15.303 -0.508 1.00 77.62 22 A 1 ATOM 161 O OXT . SER A 1 22 ? -5.087 16.097 -3.679 1.00 77.50 22 A 1 #