# 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_spkb36798 # _entry.id spkb36798 # 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" "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" "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 LEU 3 1 n VAL 4 1 n LYS 5 1 n LYS 6 1 n SER 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n VAL 11 1 n LEU 12 1 n PHE 13 1 n LEU 14 1 n GLY 15 1 n LEU 16 1 n VAL 17 1 n SER 18 1 n LEU 19 1 n SER 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 @ 2025-07-10 01:03:09)" _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 81.46 1 1 A ALA 2 2 94.84 1 2 A LEU 3 2 91.09 1 3 A VAL 4 2 95.79 1 4 A LYS 5 2 89.33 1 5 A LYS 6 2 89.70 1 6 A SER 7 2 95.48 1 7 A LEU 8 2 94.18 1 8 A PHE 9 2 93.72 1 9 A LEU 10 2 95.07 1 10 A VAL 11 2 97.28 1 11 A LEU 12 2 94.79 1 12 A PHE 13 2 94.03 1 13 A LEU 14 2 94.84 1 14 A GLY 15 2 97.53 1 15 A LEU 16 2 94.40 1 16 A VAL 17 2 96.13 1 17 A SER 18 2 96.00 1 18 A LEU 19 2 93.64 1 19 A SER 20 2 93.04 1 20 A ILE 21 2 88.98 1 21 A CYS 22 2 83.75 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 LEU . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n SER . 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 VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 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 ? -5.320 3.863 18.472 1.00 88.98 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.073 3.774 17.689 1.00 90.80 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.236 4.454 16.337 1.00 90.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.001 3.982 15.503 1.00 84.89 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.676 2.314 17.460 1.00 84.58 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.317 1.590 18.747 1.00 76.61 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.878 -0.129 18.459 1.00 70.55 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.454 -0.641 20.114 1.00 64.45 1 A 1 ATOM 9 N N . ALA A 1 2 ? -3.531 5.551 16.149 1.00 93.58 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -3.600 6.297 14.894 1.00 95.56 2 A 1 ATOM 11 C C . ALA A 1 2 ? -2.467 5.909 13.952 1.00 96.51 2 A 1 ATOM 12 O O . ALA A 1 2 ? -2.553 6.116 12.743 1.00 94.90 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -3.548 7.792 15.179 1.00 93.63 2 A 1 ATOM 14 N N . LEU A 1 3 ? -1.409 5.337 14.523 1.00 96.53 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -0.249 4.931 13.733 1.00 96.69 3 A 1 ATOM 16 C C . LEU A 1 3 ? -0.584 3.768 12.811 1.00 97.07 3 A 1 ATOM 17 O O . LEU A 1 3 ? -0.010 3.634 11.729 1.00 95.95 3 A 1 ATOM 18 C CB . LEU A 1 3 ? 0.907 4.545 14.653 1.00 95.53 3 A 1 ATOM 19 C CG . LEU A 1 3 ? 2.192 4.161 13.923 1.00 84.60 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? 2.718 5.336 13.118 1.00 81.12 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? 3.236 3.688 14.925 1.00 81.20 3 A 1 ATOM 22 N N . VAL A 1 4 ? -1.521 2.923 13.242 1.00 97.45 4 A 1 ATOM 23 C CA . VAL A 1 4 ? -1.934 1.766 12.451 1.00 97.68 4 A 1 ATOM 24 C C . VAL A 1 4 ? -2.497 2.195 11.103 1.00 97.84 4 A 1 ATOM 25 O O . VAL A 1 4 ? -2.115 1.664 10.056 1.00 97.27 4 A 1 ATOM 26 C CB . VAL A 1 4 ? -2.979 0.924 13.199 1.00 96.93 4 A 1 ATOM 27 C CG1 . VAL A 1 4 ? -3.428 -0.254 12.345 1.00 91.43 4 A 1 ATOM 28 C CG2 . VAL A 1 4 ? -2.411 0.432 14.518 1.00 91.91 4 A 1 ATOM 29 N N . LYS A 1 5 ? -3.411 3.153 11.144 1.00 97.37 5 A 1 ATOM 30 C CA . LYS A 1 5 ? -4.024 3.648 9.915 1.00 97.21 5 A 1 ATOM 31 C C . LYS A 1 5 ? -2.995 4.352 9.041 1.00 96.98 5 A 1 ATOM 32 O O . LYS A 1 5 ? -3.004 4.216 7.819 1.00 96.32 5 A 1 ATOM 33 C CB . LYS A 1 5 ? -5.172 4.599 10.245 1.00 96.36 5 A 1 ATOM 34 C CG . LYS A 1 5 ? -6.317 3.918 10.968 1.00 88.22 5 A 1 ATOM 35 C CD . LYS A 1 5 ? -7.426 4.900 11.297 1.00 85.14 5 A 1 ATOM 36 C CE . LYS A 1 5 ? -8.083 5.438 10.046 1.00 76.59 5 A 1 ATOM 37 N NZ . LYS A 1 5 ? -9.205 6.359 10.370 1.00 69.74 5 A 1 ATOM 38 N N . LYS A 1 6 ? -2.108 5.087 9.682 1.00 97.49 6 A 1 ATOM 39 C CA . LYS A 1 6 ? -1.062 5.809 8.964 1.00 97.34 6 A 1 ATOM 40 C C . LYS A 1 6 ? -0.081 4.844 8.314 1.00 97.53 6 A 1 ATOM 41 O O . LYS A 1 6 ? 0.325 5.036 7.169 1.00 96.72 6 A 1 ATOM 42 C CB . LYS A 1 6 ? -0.325 6.744 9.922 1.00 96.48 6 A 1 ATOM 43 C CG . LYS A 1 6 ? 0.707 7.612 9.234 1.00 89.49 6 A 1 ATOM 44 C CD . LYS A 1 6 ? 1.465 8.458 10.237 1.00 83.41 6 A 1 ATOM 45 C CE . LYS A 1 6 ? 2.488 9.359 9.551 1.00 78.51 6 A 1 ATOM 46 N NZ . LYS A 1 6 ? 1.833 10.361 8.677 1.00 70.32 6 A 1 ATOM 47 N N . SER A 1 7 ? 0.291 3.804 9.043 1.00 97.54 7 A 1 ATOM 48 C CA . SER A 1 7 ? 1.250 2.829 8.541 1.00 97.55 7 A 1 ATOM 49 C C . SER A 1 7 ? 0.665 1.998 7.406 1.00 97.85 7 A 1 ATOM 50 O O . SER A 1 7 ? 1.303 1.818 6.373 1.00 97.04 7 A 1 ATOM 51 C CB . SER A 1 7 ? 1.707 1.906 9.673 1.00 96.95 7 A 1 ATOM 52 O OG . SER A 1 7 ? 0.621 1.183 10.203 1.00 85.98 7 A 1 ATOM 53 N N . LEU A 1 8 ? -0.551 1.490 7.603 1.00 97.54 8 A 1 ATOM 54 C CA . LEU A 1 8 ? -1.180 0.668 6.577 1.00 97.69 8 A 1 ATOM 55 C C . LEU A 1 8 ? -1.452 1.479 5.315 1.00 97.98 8 A 1 ATOM 56 O O . LEU A 1 8 ? -1.409 0.946 4.202 1.00 97.70 8 A 1 ATOM 57 C CB . LEU A 1 8 ? -2.470 0.032 7.115 1.00 97.49 8 A 1 ATOM 58 C CG . LEU A 1 8 ? -3.625 0.995 7.396 1.00 91.21 8 A 1 ATOM 59 C CD1 . LEU A 1 8 ? -4.443 1.262 6.145 1.00 86.29 8 A 1 ATOM 60 C CD2 . LEU A 1 8 ? -4.530 0.413 8.479 1.00 87.51 8 A 1 ATOM 61 N N . PHE A 1 9 ? -1.735 2.762 5.488 1.00 97.17 9 A 1 ATOM 62 C CA . PHE A 1 9 ? -1.976 3.641 4.352 1.00 97.26 9 A 1 ATOM 63 C C . PHE A 1 9 ? -0.712 3.791 3.520 1.00 97.56 9 A 1 ATOM 64 O O . PHE A 1 9 ? -0.756 3.747 2.290 1.00 97.22 9 A 1 ATOM 65 C CB . PHE A 1 9 ? -2.451 5.011 4.834 1.00 96.84 9 A 1 ATOM 66 C CG . PHE A 1 9 ? -2.781 5.949 3.702 1.00 93.60 9 A 1 ATOM 67 C CD1 . PHE A 1 9 ? -3.976 5.834 3.016 1.00 90.44 9 A 1 ATOM 68 C CD2 . PHE A 1 9 ? -1.883 6.930 3.326 1.00 91.27 9 A 1 ATOM 69 C CE1 . PHE A 1 9 ? -4.282 6.689 1.971 1.00 89.55 9 A 1 ATOM 70 C CE2 . PHE A 1 9 ? -2.178 7.791 2.273 1.00 90.44 9 A 1 ATOM 71 C CZ . PHE A 1 9 ? -3.378 7.669 1.600 1.00 89.59 9 A 1 ATOM 72 N N . LEU A 1 10 ? 0.417 3.952 4.192 1.00 97.84 10 A 1 ATOM 73 C CA . LEU A 1 10 ? 1.698 4.087 3.510 1.00 97.82 10 A 1 ATOM 74 C C . LEU A 1 10 ? 2.065 2.801 2.782 1.00 98.08 10 A 1 ATOM 75 O O . LEU A 1 10 ? 2.562 2.833 1.655 1.00 97.93 10 A 1 ATOM 76 C CB . LEU A 1 10 ? 2.793 4.441 4.517 1.00 97.64 10 A 1 ATOM 77 C CG . LEU A 1 10 ? 2.646 5.817 5.161 1.00 92.69 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? 3.696 6.006 6.243 1.00 88.51 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? 2.757 6.912 4.114 1.00 90.05 10 A 1 ATOM 80 N N . VAL A 1 11 ? 1.814 1.672 3.430 1.00 98.20 11 A 1 ATOM 81 C CA . VAL A 1 11 ? 2.098 0.372 2.829 1.00 98.08 11 A 1 ATOM 82 C C . VAL A 1 11 ? 1.223 0.152 1.604 1.00 98.17 11 A 1 ATOM 83 O O . VAL A 1 11 ? 1.682 -0.356 0.578 1.00 97.75 11 A 1 ATOM 84 C CB . VAL A 1 11 ? 1.873 -0.765 3.838 1.00 97.68 11 A 1 ATOM 85 C CG1 . VAL A 1 11 ? 2.057 -2.125 3.174 1.00 95.64 11 A 1 ATOM 86 C CG2 . VAL A 1 11 ? 2.826 -0.625 5.011 1.00 95.43 11 A 1 ATOM 87 N N . LEU A 1 12 ? -0.036 0.536 1.726 1.00 97.87 12 A 1 ATOM 88 C CA . LEU A 1 12 ? -0.971 0.404 0.614 1.00 97.83 12 A 1 ATOM 89 C C . LEU A 1 12 ? -0.502 1.226 -0.576 1.00 98.05 12 A 1 ATOM 90 O O . LEU A 1 12 ? -0.511 0.757 -1.716 1.00 97.95 12 A 1 ATOM 91 C CB . LEU A 1 12 ? -2.363 0.864 1.041 1.00 97.73 12 A 1 ATOM 92 C CG . LEU A 1 12 ? -3.418 0.788 -0.060 1.00 91.86 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? -3.626 -0.653 -0.501 1.00 87.70 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? -4.727 1.390 0.419 1.00 89.36 12 A 1 ATOM 95 N N . PHE A 1 13 ? -0.088 2.449 -0.299 1.00 96.93 13 A 1 ATOM 96 C CA . PHE A 1 13 ? 0.411 3.339 -1.337 1.00 96.90 13 A 1 ATOM 97 C C . PHE A 1 13 ? 1.659 2.762 -1.980 1.00 97.22 13 A 1 ATOM 98 O O . PHE A 1 13 ? 1.823 2.820 -3.199 1.00 96.87 13 A 1 ATOM 99 C CB . PHE A 1 13 ? 0.714 4.713 -0.747 1.00 96.55 13 A 1 ATOM 100 C CG . PHE A 1 13 ? 1.164 5.709 -1.780 1.00 93.64 13 A 1 ATOM 101 C CD1 . PHE A 1 13 ? 0.253 6.305 -2.630 1.00 91.30 13 A 1 ATOM 102 C CD2 . PHE A 1 13 ? 2.504 6.032 -1.898 1.00 92.02 13 A 1 ATOM 103 C CE1 . PHE A 1 13 ? 0.668 7.218 -3.585 1.00 90.35 13 A 1 ATOM 104 C CE2 . PHE A 1 13 ? 2.926 6.946 -2.858 1.00 91.07 13 A 1 ATOM 105 C CZ . PHE A 1 13 ? 2.006 7.537 -3.699 1.00 91.51 13 A 1 ATOM 106 N N . LEU A 1 14 ? 2.527 2.190 -1.160 1.00 97.83 14 A 1 ATOM 107 C CA . LEU A 1 14 ? 3.756 1.575 -1.651 1.00 97.56 14 A 1 ATOM 108 C C . LEU A 1 14 ? 3.441 0.434 -2.607 1.00 97.79 14 A 1 ATOM 109 O O . LEU A 1 14 ? 4.112 0.258 -3.623 1.00 97.25 14 A 1 ATOM 110 C CB . LEU A 1 14 ? 4.584 1.057 -0.477 1.00 97.06 14 A 1 ATOM 111 C CG . LEU A 1 14 ? 5.917 0.430 -0.868 1.00 92.85 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? 6.808 1.449 -1.557 1.00 88.69 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? 6.610 -0.144 0.357 1.00 89.67 14 A 1 ATOM 114 N N . GLY A 1 15 ? 2.418 -0.345 -2.272 1.00 97.68 15 A 1 ATOM 115 C CA . GLY A 1 15 ? 1.999 -1.449 -3.125 1.00 97.48 15 A 1 ATOM 116 C C . GLY A 1 15 ? 1.544 -0.966 -4.484 1.00 97.74 15 A 1 ATOM 117 O O . GLY A 1 15 ? 1.901 -1.542 -5.514 1.00 97.21 15 A 1 ATOM 118 N N . LEU A 1 16 ? 0.766 0.106 -4.489 1.00 97.69 16 A 1 ATOM 119 C CA . LEU A 1 16 ? 0.273 0.685 -5.734 1.00 97.61 16 A 1 ATOM 120 C C . LEU A 1 16 ? 1.424 1.219 -6.573 1.00 97.79 16 A 1 ATOM 121 O O . LEU A 1 16 ? 1.438 1.065 -7.796 1.00 97.12 16 A 1 ATOM 122 C CB . LEU A 1 16 ? -0.716 1.812 -5.431 1.00 97.14 16 A 1 ATOM 123 C CG . LEU A 1 16 ? -1.991 1.363 -4.721 1.00 92.07 16 A 1 ATOM 124 C CD1 . LEU A 1 16 ? -2.847 2.567 -4.359 1.00 87.78 16 A 1 ATOM 125 C CD2 . LEU A 1 16 ? -2.774 0.391 -5.589 1.00 88.00 16 A 1 ATOM 126 N N . VAL A 1 17 ? 2.392 1.838 -5.912 1.00 97.98 17 A 1 ATOM 127 C CA . VAL A 1 17 ? 3.564 2.373 -6.598 1.00 97.59 17 A 1 ATOM 128 C C . VAL A 1 17 ? 4.370 1.246 -7.227 1.00 97.64 17 A 1 ATOM 129 O O . VAL A 1 17 ? 4.880 1.375 -8.342 1.00 96.82 17 A 1 ATOM 130 C CB . VAL A 1 17 ? 4.450 3.174 -5.633 1.00 96.70 17 A 1 ATOM 131 C CG1 . VAL A 1 17 ? 5.738 3.606 -6.318 1.00 92.89 17 A 1 ATOM 132 C CG2 . VAL A 1 17 ? 3.703 4.386 -5.115 1.00 93.27 17 A 1 ATOM 133 N N . SER A 1 18 ? 4.474 0.129 -6.512 1.00 97.73 18 A 1 ATOM 134 C CA . SER A 1 18 ? 5.204 -1.029 -7.011 1.00 97.68 18 A 1 ATOM 135 C C . SER A 1 18 ? 4.597 -1.532 -8.317 1.00 97.64 18 A 1 ATOM 136 O O . SER A 1 18 ? 5.311 -1.898 -9.248 1.00 96.59 18 A 1 ATOM 137 C CB . SER A 1 18 ? 5.198 -2.148 -5.973 1.00 97.00 18 A 1 ATOM 138 O OG . SER A 1 18 ? 5.858 -1.746 -4.793 1.00 89.37 18 A 1 ATOM 139 N N . LEU A 1 19 ? 3.278 -1.543 -8.381 1.00 97.66 19 A 1 ATOM 140 C CA . LEU A 1 19 ? 2.581 -1.972 -9.587 1.00 97.32 19 A 1 ATOM 141 C C . LEU A 1 19 ? 2.824 -1.001 -10.731 1.00 97.40 19 A 1 ATOM 142 O O . LEU A 1 19 ? 2.891 -1.403 -11.896 1.00 96.34 19 A 1 ATOM 143 C CB . LEU A 1 19 ? 1.081 -2.082 -9.316 1.00 96.61 19 A 1 ATOM 144 C CG . LEU A 1 19 ? 0.694 -3.145 -8.292 1.00 91.42 19 A 1 ATOM 145 C CD1 . LEU A 1 19 ? -0.799 -3.075 -8.005 1.00 86.19 19 A 1 ATOM 146 C CD2 . LEU A 1 19 ? 1.076 -4.528 -8.788 1.00 86.15 19 A 1 ATOM 147 N N . SER A 1 20 ? 2.958 0.269 -10.387 1.00 96.28 20 A 1 ATOM 148 C CA . SER A 1 20 ? 3.191 1.310 -11.382 1.00 96.03 20 A 1 ATOM 149 C C . SER A 1 20 ? 4.571 1.186 -12.018 1.00 95.71 20 A 1 ATOM 150 O O . SER A 1 20 ? 4.734 1.395 -13.219 1.00 93.05 20 A 1 ATOM 151 C CB . SER A 1 20 ? 3.048 2.690 -10.751 1.00 94.15 20 A 1 ATOM 152 O OG . SER A 1 20 ? 3.224 3.693 -11.719 1.00 83.01 20 A 1 ATOM 153 N N . ILE A 1 21 ? 5.561 0.842 -11.196 1.00 95.08 21 A 1 ATOM 154 C CA . ILE A 1 21 ? 6.933 0.716 -11.680 1.00 94.18 21 A 1 ATOM 155 C C . ILE A 1 21 ? 7.203 -0.659 -12.263 1.00 93.70 21 A 1 ATOM 156 O O . ILE A 1 21 ? 8.182 -0.858 -12.977 1.00 90.43 21 A 1 ATOM 157 C CB . ILE A 1 21 ? 7.947 0.992 -10.556 1.00 91.93 21 A 1 ATOM 158 C CG1 . ILE A 1 21 ? 7.797 -0.028 -9.433 1.00 86.18 21 A 1 ATOM 159 C CG2 . ILE A 1 21 ? 7.765 2.406 -10.030 1.00 82.72 21 A 1 ATOM 160 C CD1 . ILE A 1 21 ? 8.817 0.124 -8.322 1.00 77.62 21 A 1 ATOM 161 N N . CYS A 1 22 ? 6.333 -1.599 -11.953 1.00 93.06 22 A 1 ATOM 162 C CA . CYS A 1 22 ? 6.494 -2.968 -12.419 1.00 90.93 22 A 1 ATOM 163 C C . CYS A 1 22 ? 6.049 -3.094 -13.875 1.00 89.08 22 A 1 ATOM 164 O O . CYS A 1 22 ? 6.688 -3.836 -14.634 1.00 83.51 22 A 1 ATOM 165 C CB . CYS A 1 22 ? 5.703 -3.937 -11.531 1.00 83.55 22 A 1 ATOM 166 S SG . CYS A 1 22 ? 5.977 -5.664 -11.963 1.00 74.67 22 A 1 ATOM 167 O OXT . CYS A 1 22 ? 5.043 -2.440 -14.240 1.00 71.42 22 A 1 #