# 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_spkb36473 # _entry.id spkb36473 # 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 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 LYS 2 1 n VAL 3 1 n PHE 4 1 n SER 5 1 n ALA 6 1 n VAL 7 1 n LEU 8 1 n ILE 9 1 n ILE 10 1 n LEU 11 1 n PHE 12 1 n VAL 13 1 n CYS 14 1 n SER 15 1 n MET 16 1 n ILE 17 1 n ILE 18 1 n GLY 19 1 n ILE 20 1 n SER 21 1 n GLU 22 1 n GLY 23 # _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 @ 2025-07-08 12:15:26)" _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 94.70 _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 90.62 1 1 A LYS 2 2 90.77 1 2 A VAL 3 2 96.79 1 3 A PHE 4 2 94.54 1 4 A SER 5 2 96.42 1 5 A ALA 6 2 98.67 1 6 A VAL 7 2 98.10 1 7 A LEU 8 2 95.72 1 8 A ILE 9 2 97.02 1 9 A ILE 10 2 97.48 1 10 A LEU 11 2 95.47 1 11 A PHE 12 2 95.78 1 12 A VAL 13 2 98.02 1 13 A CYS 14 2 97.15 1 14 A SER 15 2 96.42 1 15 A MET 16 2 92.19 1 16 A ILE 17 2 96.94 1 17 A ILE 18 2 95.75 1 18 A GLY 19 2 97.41 1 19 A ILE 20 2 94.06 1 20 A SER 21 2 94.50 1 21 A GLU 22 2 86.22 1 22 A GLY 23 2 84.86 1 23 # _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 PHE . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n VAL . 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 PHE . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n GLY . 23 A 23 # _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 ? 15.290 -0.999 9.580 1.00 97.55 1 A 1 ATOM 2 C CA . MET A 1 1 ? 13.971 -0.756 10.213 1.00 97.71 1 A 1 ATOM 3 C C . MET A 1 1 ? 13.072 0.190 9.409 1.00 97.88 1 A 1 ATOM 4 O O . MET A 1 1 ? 11.873 -0.009 9.380 1.00 95.99 1 A 1 ATOM 5 C CB . MET A 1 1 ? 14.140 -0.267 11.655 1.00 95.10 1 A 1 ATOM 6 C CG . MET A 1 1 ? 14.796 -1.349 12.518 1.00 86.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? 14.777 -1.019 14.286 1.00 81.36 1 A 1 ATOM 8 C CE . MET A 1 1 ? 16.051 0.239 14.450 1.00 72.39 1 A 1 ATOM 9 N N . LYS A 1 2 ? 13.642 1.186 8.727 1.00 97.65 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 12.857 2.223 8.029 1.00 97.69 2 A 1 ATOM 11 C C . LYS A 1 2 ? 12.212 1.736 6.723 1.00 97.75 2 A 1 ATOM 12 O O . LYS A 1 2 ? 11.054 2.049 6.462 1.00 96.87 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 13.765 3.451 7.828 1.00 96.56 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 12.979 4.733 7.539 1.00 89.35 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 13.921 5.948 7.553 1.00 86.95 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 13.146 7.245 7.318 1.00 80.93 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 14.030 8.437 7.386 1.00 73.21 2 A 1 ATOM 18 N N . VAL A 1 3 ? 12.934 0.944 5.923 1.00 98.13 3 A 1 ATOM 19 C CA . VAL A 1 3 ? 12.464 0.497 4.597 1.00 98.38 3 A 1 ATOM 20 C C . VAL A 1 3 ? 11.305 -0.493 4.712 1.00 98.48 3 A 1 ATOM 21 O O . VAL A 1 3 ? 10.286 -0.326 4.046 1.00 98.06 3 A 1 ATOM 22 C CB . VAL A 1 3 ? 13.621 -0.110 3.784 1.00 97.87 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? 13.163 -0.543 2.390 1.00 93.34 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? 14.765 0.890 3.620 1.00 93.25 3 A 1 ATOM 25 N N . PHE A 1 4 ? 11.407 -1.482 5.601 1.00 98.36 4 A 1 ATOM 26 C CA . PHE A 1 4 ? 10.359 -2.488 5.798 1.00 98.36 4 A 1 ATOM 27 C C . PHE A 1 4 ? 9.046 -1.859 6.288 1.00 98.49 4 A 1 ATOM 28 O O . PHE A 1 4 ? 7.979 -2.157 5.759 1.00 98.29 4 A 1 ATOM 29 C CB . PHE A 1 4 ? 10.876 -3.540 6.783 1.00 98.13 4 A 1 ATOM 30 C CG . PHE A 1 4 ? 9.917 -4.694 6.974 1.00 95.21 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? 9.121 -4.776 8.129 1.00 91.73 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? 9.814 -5.681 5.984 1.00 91.46 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? 8.229 -5.845 8.299 1.00 89.98 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? 8.919 -6.750 6.146 1.00 90.36 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? 8.127 -6.832 7.305 1.00 89.62 4 A 1 ATOM 36 N N . SER A 1 5 ? 9.128 -0.922 7.227 1.00 98.27 5 A 1 ATOM 37 C CA . SER A 1 5 ? 7.958 -0.185 7.715 1.00 98.25 5 A 1 ATOM 38 C C . SER A 1 5 ? 7.327 0.673 6.613 1.00 98.44 5 A 1 ATOM 39 O O . SER A 1 5 ? 6.110 0.687 6.477 1.00 98.26 5 A 1 ATOM 40 C CB . SER A 1 5 ? 8.369 0.683 8.900 1.00 97.55 5 A 1 ATOM 41 O OG . SER A 1 5 ? 7.236 1.306 9.469 1.00 87.75 5 A 1 ATOM 42 N N . ALA A 1 6 ? 8.131 1.342 5.786 1.00 98.65 6 A 1 ATOM 43 C CA . ALA A 1 6 ? 7.631 2.143 4.674 1.00 98.70 6 A 1 ATOM 44 C C . ALA A 1 6 ? 6.896 1.280 3.636 1.00 98.80 6 A 1 ATOM 45 O O . ALA A 1 6 ? 5.814 1.654 3.195 1.00 98.65 6 A 1 ATOM 46 C CB . ALA A 1 6 ? 8.802 2.903 4.045 1.00 98.54 6 A 1 ATOM 47 N N . VAL A 1 7 ? 7.430 0.105 3.294 1.00 98.64 7 A 1 ATOM 48 C CA . VAL A 1 7 ? 6.785 -0.833 2.364 1.00 98.69 7 A 1 ATOM 49 C C . VAL A 1 7 ? 5.434 -1.302 2.903 1.00 98.78 7 A 1 ATOM 50 O O . VAL A 1 7 ? 4.453 -1.287 2.166 1.00 98.66 7 A 1 ATOM 51 C CB . VAL A 1 7 ? 7.709 -2.025 2.062 1.00 98.52 7 A 1 ATOM 52 C CG1 . VAL A 1 7 ? 7.012 -3.121 1.251 1.00 96.84 7 A 1 ATOM 53 C CG2 . VAL A 1 7 ? 8.925 -1.567 1.252 1.00 96.54 7 A 1 ATOM 54 N N . LEU A 1 8 ? 5.348 -1.653 4.182 1.00 98.56 8 A 1 ATOM 55 C CA . LEU A 1 8 ? 4.084 -2.066 4.801 1.00 98.53 8 A 1 ATOM 56 C C . LEU A 1 8 ? 3.037 -0.948 4.786 1.00 98.65 8 A 1 ATOM 57 O O . LEU A 1 8 ? 1.878 -1.209 4.479 1.00 98.63 8 A 1 ATOM 58 C CB . LEU A 1 8 ? 4.339 -2.523 6.243 1.00 98.28 8 A 1 ATOM 59 C CG . LEU A 1 8 ? 5.017 -3.895 6.372 1.00 91.91 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? 5.280 -4.170 7.852 1.00 90.15 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? 4.155 -5.029 5.819 1.00 91.09 8 A 1 ATOM 62 N N . ILE A 1 9 ? 3.434 0.292 5.073 1.00 98.57 9 A 1 ATOM 63 C CA . ILE A 1 9 ? 2.529 1.447 5.044 1.00 98.53 9 A 1 ATOM 64 C C . ILE A 1 9 ? 2.010 1.677 3.622 1.00 98.64 9 A 1 ATOM 65 O O . ILE A 1 9 ? 0.808 1.844 3.433 1.00 98.57 9 A 1 ATOM 66 C CB . ILE A 1 9 ? 3.230 2.695 5.610 1.00 98.31 9 A 1 ATOM 67 C CG1 . ILE A 1 9 ? 3.484 2.530 7.126 1.00 96.45 9 A 1 ATOM 68 C CG2 . ILE A 1 9 ? 2.390 3.965 5.368 1.00 96.21 9 A 1 ATOM 69 C CD1 . ILE A 1 9 ? 4.507 3.523 7.686 1.00 90.91 9 A 1 ATOM 70 N N . ILE A 1 10 ? 2.883 1.651 2.617 1.00 98.69 10 A 1 ATOM 71 C CA . ILE A 1 10 ? 2.496 1.827 1.211 1.00 98.63 10 A 1 ATOM 72 C C . ILE A 1 10 ? 1.521 0.725 0.794 1.00 98.66 10 A 1 ATOM 73 O O . ILE A 1 10 ? 0.472 1.024 0.227 1.00 98.51 10 A 1 ATOM 74 C CB . ILE A 1 10 ? 3.748 1.865 0.312 1.00 98.51 10 A 1 ATOM 75 C CG1 . ILE A 1 10 ? 4.562 3.149 0.579 1.00 97.29 10 A 1 ATOM 76 C CG2 . ILE A 1 10 ? 3.364 1.798 -1.181 1.00 96.89 10 A 1 ATOM 77 C CD1 . ILE A 1 10 ? 5.989 3.092 0.036 1.00 92.70 10 A 1 ATOM 78 N N . LEU A 1 11 ? 1.820 -0.532 1.111 1.00 98.77 11 A 1 ATOM 79 C CA . LEU A 1 11 ? 0.958 -1.666 0.779 1.00 98.72 11 A 1 ATOM 80 C C . LEU A 1 11 ? -0.426 -1.536 1.428 1.00 98.71 11 A 1 ATOM 81 O O . LEU A 1 11 ? -1.442 -1.776 0.783 1.00 98.53 11 A 1 ATOM 82 C CB . LEU A 1 11 ? 1.652 -2.967 1.225 1.00 98.54 11 A 1 ATOM 83 C CG . LEU A 1 11 ? 1.258 -4.161 0.344 1.00 91.67 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? 2.131 -4.195 -0.918 1.00 88.39 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? 1.460 -5.471 1.101 1.00 90.46 11 A 1 ATOM 86 N N . PHE A 1 12 ? -0.474 -1.117 2.691 1.00 98.60 12 A 1 ATOM 87 C CA . PHE A 1 12 ? -1.713 -0.906 3.437 1.00 98.45 12 A 1 ATOM 88 C C . PHE A 1 12 ? -2.559 0.213 2.827 1.00 98.44 12 A 1 ATOM 89 O O . PHE A 1 12 ? -3.754 0.029 2.594 1.00 98.03 12 A 1 ATOM 90 C CB . PHE A 1 12 ? -1.352 -0.610 4.895 1.00 98.29 12 A 1 ATOM 91 C CG . PHE A 1 12 ? -2.566 -0.468 5.783 1.00 96.36 12 A 1 ATOM 92 C CD1 . PHE A 1 12 ? -3.005 0.801 6.189 1.00 93.25 12 A 1 ATOM 93 C CD2 . PHE A 1 12 ? -3.264 -1.615 6.188 1.00 93.77 12 A 1 ATOM 94 C CE1 . PHE A 1 12 ? -4.138 0.929 7.003 1.00 92.49 12 A 1 ATOM 95 C CE2 . PHE A 1 12 ? -4.404 -1.491 7.000 1.00 92.46 12 A 1 ATOM 96 C CZ . PHE A 1 12 ? -4.844 -0.222 7.407 1.00 93.41 12 A 1 ATOM 97 N N . VAL A 1 13 ? -1.945 1.350 2.499 1.00 98.76 13 A 1 ATOM 98 C CA . VAL A 1 13 ? -2.635 2.481 1.862 1.00 98.68 13 A 1 ATOM 99 C C . VAL A 1 13 ? -3.148 2.093 0.474 1.00 98.65 13 A 1 ATOM 100 O O . VAL A 1 13 ? -4.312 2.349 0.169 1.00 98.16 13 A 1 ATOM 101 C CB . VAL A 1 13 ? -1.711 3.711 1.801 1.00 98.45 13 A 1 ATOM 102 C CG1 . VAL A 1 13 ? -2.314 4.857 0.988 1.00 96.49 13 A 1 ATOM 103 C CG2 . VAL A 1 13 ? -1.440 4.248 3.209 1.00 96.92 13 A 1 ATOM 104 N N . CYS A 1 14 ? -2.345 1.417 -0.346 1.00 98.61 14 A 1 ATOM 105 C CA . CYS A 1 14 ? -2.777 0.936 -1.654 1.00 98.51 14 A 1 ATOM 106 C C . CYS A 1 14 ? -3.955 -0.041 -1.539 1.00 98.49 14 A 1 ATOM 107 O O . CYS A 1 14 ? -4.920 0.086 -2.280 1.00 97.82 14 A 1 ATOM 108 C CB . CYS A 1 14 ? -1.599 0.268 -2.373 1.00 98.16 14 A 1 ATOM 109 S SG . CYS A 1 14 ? -0.399 1.506 -2.926 1.00 91.33 14 A 1 ATOM 110 N N . SER A 1 15 ? -3.919 -0.967 -0.590 1.00 98.37 15 A 1 ATOM 111 C CA . SER A 1 15 ? -5.013 -1.910 -0.348 1.00 98.20 15 A 1 ATOM 112 C C . SER A 1 15 ? -6.309 -1.202 0.050 1.00 98.25 15 A 1 ATOM 113 O O . SER A 1 15 ? -7.374 -1.570 -0.438 1.00 97.52 15 A 1 ATOM 114 C CB . SER A 1 15 ? -4.605 -2.906 0.736 1.00 97.63 15 A 1 ATOM 115 O OG . SER A 1 15 ? -5.585 -3.913 0.873 1.00 88.52 15 A 1 ATOM 116 N N . MET A 1 16 ? -6.243 -0.162 0.878 1.00 98.48 16 A 1 ATOM 117 C CA . MET A 1 16 ? -7.423 0.633 1.234 1.00 98.37 16 A 1 ATOM 118 C C . MET A 1 16 ? -7.994 1.374 0.023 1.00 98.46 16 A 1 ATOM 119 O O . MET A 1 16 ? -9.202 1.350 -0.180 1.00 97.86 16 A 1 ATOM 120 C CB . MET A 1 16 ? -7.096 1.627 2.348 1.00 97.93 16 A 1 ATOM 121 C CG . MET A 1 16 ? -6.923 0.937 3.699 1.00 92.94 16 A 1 ATOM 122 S SD . MET A 1 16 ? -7.098 2.055 5.126 1.00 82.39 16 A 1 ATOM 123 C CE . MET A 1 16 ? -5.736 3.200 4.822 1.00 71.08 16 A 1 ATOM 124 N N . ILE A 1 17 ? -7.154 1.994 -0.802 1.00 98.60 17 A 1 ATOM 125 C CA . ILE A 1 17 ? -7.598 2.725 -1.996 1.00 98.47 17 A 1 ATOM 126 C C . ILE A 1 17 ? -8.289 1.776 -2.978 1.00 98.42 17 A 1 ATOM 127 O O . ILE A 1 17 ? -9.369 2.093 -3.471 1.00 98.02 17 A 1 ATOM 128 C CB . ILE A 1 17 ? -6.414 3.461 -2.651 1.00 98.20 17 A 1 ATOM 129 C CG1 . ILE A 1 17 ? -5.894 4.584 -1.728 1.00 96.80 17 A 1 ATOM 130 C CG2 . ILE A 1 17 ? -6.822 4.059 -4.011 1.00 96.08 17 A 1 ATOM 131 C CD1 . ILE A 1 17 ? -4.515 5.114 -2.126 1.00 90.97 17 A 1 ATOM 132 N N . ILE A 1 18 ? -7.703 0.608 -3.238 1.00 98.56 18 A 1 ATOM 133 C CA . ILE A 1 18 ? -8.284 -0.401 -4.131 1.00 98.37 18 A 1 ATOM 134 C C . ILE A 1 18 ? -9.612 -0.912 -3.564 1.00 98.30 18 A 1 ATOM 135 O O . ILE A 1 18 ? -10.601 -0.954 -4.289 1.00 97.89 18 A 1 ATOM 136 C CB . ILE A 1 18 ? -7.277 -1.543 -4.374 1.00 97.95 18 A 1 ATOM 137 C CG1 . ILE A 1 18 ? -6.049 -1.026 -5.156 1.00 95.21 18 A 1 ATOM 138 C CG2 . ILE A 1 18 ? -7.935 -2.704 -5.146 1.00 93.30 18 A 1 ATOM 139 C CD1 . ILE A 1 18 ? -4.843 -1.975 -5.108 1.00 86.44 18 A 1 ATOM 140 N N . GLY A 1 19 ? -9.670 -1.224 -2.277 1.00 97.83 19 A 1 ATOM 141 C CA . GLY A 1 19 ? -10.898 -1.684 -1.626 1.00 97.60 19 A 1 ATOM 142 C C . GLY A 1 19 ? -12.032 -0.654 -1.654 1.00 97.59 19 A 1 ATOM 143 O O . GLY A 1 19 ? -13.187 -1.016 -1.845 1.00 96.62 19 A 1 ATOM 144 N N . ILE A 1 20 ? -11.721 0.636 -1.526 1.00 98.00 20 A 1 ATOM 145 C CA . ILE A 1 20 ? -12.714 1.718 -1.655 1.00 97.72 20 A 1 ATOM 146 C C . ILE A 1 20 ? -13.147 1.893 -3.113 1.00 97.52 20 A 1 ATOM 147 O O . ILE A 1 20 ? -14.315 2.154 -3.377 1.00 96.81 20 A 1 ATOM 148 C CB . ILE A 1 20 ? -12.154 3.031 -1.068 1.00 97.07 20 A 1 ATOM 149 C CG1 . ILE A 1 20 ? -11.955 2.904 0.460 1.00 92.45 20 A 1 ATOM 150 C CG2 . ILE A 1 20 ? -13.087 4.222 -1.360 1.00 90.05 20 A 1 ATOM 151 C CD1 . ILE A 1 20 ? -11.040 3.989 1.047 1.00 82.84 20 A 1 ATOM 152 N N . SER A 1 21 ? -12.235 1.736 -4.068 1.00 97.40 21 A 1 ATOM 153 C CA . SER A 1 21 ? -12.536 1.873 -5.497 1.00 97.18 21 A 1 ATOM 154 C C . SER A 1 21 ? -13.371 0.717 -6.055 1.00 96.57 21 A 1 ATOM 155 O O . SER A 1 21 ? -13.968 0.876 -7.119 1.00 95.33 21 A 1 ATOM 156 C CB . SER A 1 21 ? -11.236 1.987 -6.290 1.00 96.34 21 A 1 ATOM 157 O OG . SER A 1 21 ? -11.524 2.292 -7.646 1.00 84.18 21 A 1 ATOM 158 N N . GLU A 1 22 ? -13.374 -0.442 -5.402 1.00 96.42 22 A 1 ATOM 159 C CA . GLU A 1 22 ? -14.140 -1.623 -5.820 1.00 95.74 22 A 1 ATOM 160 C C . GLU A 1 22 ? -15.588 -1.598 -5.290 1.00 93.81 22 A 1 ATOM 161 O O . GLU A 1 22 ? -16.446 -2.290 -5.835 1.00 85.86 22 A 1 ATOM 162 C CB . GLU A 1 22 ? -13.372 -2.882 -5.362 1.00 94.14 22 A 1 ATOM 163 C CG . GLU A 1 22 ? -13.925 -4.176 -5.963 1.00 85.41 22 A 1 ATOM 164 C CD . GLU A 1 22 ? -13.042 -5.384 -5.607 1.00 79.29 22 A 1 ATOM 165 O OE1 . GLU A 1 22 ? -13.350 -6.065 -4.599 1.00 71.89 22 A 1 ATOM 166 O OE2 . GLU A 1 22 ? -12.051 -5.623 -6.328 1.00 73.38 22 A 1 ATOM 167 N N . GLY A 1 23 ? -15.868 -0.784 -4.273 1.00 92.88 23 A 1 ATOM 168 C CA . GLY A 1 23 ? -17.201 -0.634 -3.668 1.00 89.50 23 A 1 ATOM 169 C C . GLY A 1 23 ? -18.003 0.515 -4.257 1.00 83.25 23 A 1 ATOM 170 O O . GLY A 1 23 ? -19.216 0.330 -4.466 1.00 74.77 23 A 1 ATOM 171 O OXT . GLY A 1 23 ? -17.408 1.606 -4.467 1.00 83.92 23 A 1 #