# 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_spkb33509 # _entry.id spkb33509 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-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" "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 VAL 2 1 n VAL 3 1 n ALA 4 1 n ARG 5 1 n THR 6 1 n LEU 7 1 n PHE 8 1 n SER 9 1 n ILE 10 1 n SER 11 1 n ALA 12 1 n THR 13 1 n LEU 14 1 n ILE 15 1 n ILE 16 1 n PHE 17 1 n LEU 18 1 n ALA 19 1 n LEU 20 1 n PHE 21 1 n LEU 22 1 n HIS 23 1 n VAL 24 1 n ASN 25 1 n ALA 26 # _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 @ 2025-07-12 23:42:59)" _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 95.11 _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 86.43 1 1 A VAL 2 2 94.18 1 2 A VAL 3 2 95.74 1 3 A ALA 4 2 97.30 1 4 A ARG 5 2 87.96 1 5 A THR 6 2 96.73 1 6 A LEU 7 2 95.85 1 7 A PHE 8 2 94.59 1 8 A SER 9 2 96.29 1 9 A ILE 10 2 97.38 1 10 A SER 11 2 96.66 1 11 A ALA 12 2 98.44 1 12 A THR 13 2 97.10 1 13 A LEU 14 2 96.10 1 14 A ILE 15 2 97.61 1 15 A ILE 16 2 97.76 1 16 A PHE 17 2 95.84 1 17 A LEU 18 2 95.74 1 18 A ALA 19 2 98.61 1 19 A LEU 20 2 96.56 1 20 A PHE 21 2 96.30 1 21 A LEU 22 2 96.65 1 22 A HIS 23 2 94.88 1 23 A VAL 24 2 97.08 1 24 A ASN 25 2 92.42 1 25 A ALA 26 2 87.77 1 26 # _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 VAL . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n HIS . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n ASN . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? -18.735 1.253 4.913 1.00 93.52 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.043 0.328 3.800 1.00 93.92 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.949 -0.724 3.683 1.00 94.43 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.773 -0.386 3.800 1.00 91.39 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.183 1.091 2.479 1.00 89.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? -20.419 1.986 2.464 1.00 81.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.751 2.717 0.842 1.00 77.50 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.564 4.064 0.820 1.00 69.17 1 A 1 ATOM 9 N N . VAL A 1 2 ? -18.331 -1.982 3.462 1.00 95.48 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -17.368 -3.095 3.350 1.00 96.78 2 A 1 ATOM 11 C C . VAL A 1 2 ? -16.404 -2.869 2.180 1.00 97.47 2 A 1 ATOM 12 O O . VAL A 1 2 ? -15.203 -3.117 2.306 1.00 96.63 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -18.121 -4.423 3.188 1.00 95.20 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -17.158 -5.595 3.039 1.00 88.86 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -19.025 -4.673 4.393 1.00 88.82 2 A 1 ATOM 16 N N . VAL A 1 3 ? -16.918 -2.350 1.069 1.00 97.35 3 A 1 ATOM 17 C CA . VAL A 1 3 ? -16.109 -2.058 -0.125 1.00 97.49 3 A 1 ATOM 18 C C . VAL A 1 3 ? -14.970 -1.090 0.199 1.00 97.69 3 A 1 ATOM 19 O O . VAL A 1 3 ? -13.831 -1.300 -0.224 1.00 97.21 3 A 1 ATOM 20 C CB . VAL A 1 3 ? -16.997 -1.491 -1.248 1.00 96.66 3 A 1 ATOM 21 C CG1 . VAL A 1 3 ? -16.178 -1.166 -2.497 1.00 92.01 3 A 1 ATOM 22 C CG2 . VAL A 1 3 ? -18.094 -2.484 -1.625 1.00 91.75 3 A 1 ATOM 23 N N . ALA A 1 4 ? -15.254 -0.049 0.971 1.00 97.43 4 A 1 ATOM 24 C CA . ALA A 1 4 ? -14.237 0.929 1.356 1.00 97.50 4 A 1 ATOM 25 C C . ALA A 1 4 ? -13.134 0.285 2.202 1.00 97.61 4 A 1 ATOM 26 O O . ALA A 1 4 ? -11.956 0.580 2.011 1.00 97.11 4 A 1 ATOM 27 C CB . ALA A 1 4 ? -14.907 2.087 2.101 1.00 96.84 4 A 1 ATOM 28 N N . ARG A 1 5 ? -13.508 -0.629 3.109 1.00 97.76 5 A 1 ATOM 29 C CA . ARG A 1 5 ? -12.532 -1.358 3.928 1.00 97.63 5 A 1 ATOM 30 C C . ARG A 1 5 ? -11.659 -2.261 3.070 1.00 97.94 5 A 1 ATOM 31 O O . ARG A 1 5 ? -10.444 -2.305 3.269 1.00 97.18 5 A 1 ATOM 32 C CB . ARG A 1 5 ? -13.246 -2.180 5.002 1.00 96.92 5 A 1 ATOM 33 C CG . ARG A 1 5 ? -13.906 -1.299 6.063 1.00 90.87 5 A 1 ATOM 34 C CD . ARG A 1 5 ? -14.630 -2.164 7.101 1.00 87.85 5 A 1 ATOM 35 N NE . ARG A 1 5 ? -13.676 -2.967 7.897 1.00 81.87 5 A 1 ATOM 36 C CZ . ARG A 1 5 ? -13.374 -2.777 9.175 1.00 77.70 5 A 1 ATOM 37 N NH1 . ARG A 1 5 ? -13.910 -1.810 9.882 1.00 71.61 5 A 1 ATOM 38 N NH2 . ARG A 1 5 ? -12.518 -3.573 9.767 1.00 70.19 5 A 1 ATOM 39 N N . THR A 1 6 ? -12.254 -2.945 2.108 1.00 98.27 6 A 1 ATOM 40 C CA . THR A 1 6 ? -11.511 -3.817 1.197 1.00 98.34 6 A 1 ATOM 41 C C . THR A 1 6 ? -10.542 -3.006 0.339 1.00 98.50 6 A 1 ATOM 42 O O . THR A 1 6 ? -9.367 -3.356 0.239 1.00 98.27 6 A 1 ATOM 43 C CB . THR A 1 6 ? -12.475 -4.604 0.301 1.00 98.03 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? -13.396 -5.312 1.110 1.00 93.93 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -11.735 -5.617 -0.564 1.00 91.74 6 A 1 ATOM 46 N N . LEU A 1 7 ? -11.008 -1.905 -0.241 1.00 98.27 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -10.158 -1.025 -1.045 1.00 98.24 7 A 1 ATOM 48 C C . LEU A 1 7 ? -9.031 -0.428 -0.203 1.00 98.30 7 A 1 ATOM 49 O O . LEU A 1 7 ? -7.888 -0.369 -0.651 1.00 98.18 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -11.006 0.093 -1.669 1.00 98.08 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -11.954 -0.381 -2.776 1.00 94.61 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -12.868 0.764 -3.195 1.00 90.58 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -11.187 -0.871 -4.000 1.00 90.55 7 A 1 ATOM 54 N N . PHE A 1 8 ? -9.341 -0.018 1.024 1.00 98.35 8 A 1 ATOM 55 C CA . PHE A 1 8 ? -8.338 0.525 1.936 1.00 98.28 8 A 1 ATOM 56 C C . PHE A 1 8 ? -7.282 -0.525 2.278 1.00 98.40 8 A 1 ATOM 57 O O . PHE A 1 8 ? -6.090 -0.220 2.266 1.00 98.21 8 A 1 ATOM 58 C CB . PHE A 1 8 ? -9.026 1.045 3.197 1.00 98.02 8 A 1 ATOM 59 C CG . PHE A 1 8 ? -8.070 1.760 4.116 1.00 94.76 8 A 1 ATOM 60 C CD1 . PHE A 1 8 ? -7.457 1.085 5.176 1.00 91.66 8 A 1 ATOM 61 C CD2 . PHE A 1 8 ? -7.768 3.107 3.899 1.00 91.94 8 A 1 ATOM 62 C CE1 . PHE A 1 8 ? -6.556 1.748 6.011 1.00 90.22 8 A 1 ATOM 63 C CE2 . PHE A 1 8 ? -6.866 3.771 4.734 1.00 90.41 8 A 1 ATOM 64 C CZ . PHE A 1 8 ? -6.258 3.091 5.788 1.00 90.19 8 A 1 ATOM 65 N N . SER A 1 9 ? -7.711 -1.757 2.543 1.00 98.46 9 A 1 ATOM 66 C CA . SER A 1 9 ? -6.788 -2.849 2.859 1.00 98.48 9 A 1 ATOM 67 C C . SER A 1 9 ? -5.862 -3.161 1.681 1.00 98.62 9 A 1 ATOM 68 O O . SER A 1 9 ? -4.645 -3.264 1.852 1.00 98.34 9 A 1 ATOM 69 C CB . SER A 1 9 ? -7.583 -4.091 3.257 1.00 97.98 9 A 1 ATOM 70 O OG . SER A 1 9 ? -6.704 -5.120 3.663 1.00 85.85 9 A 1 ATOM 71 N N . ILE A 1 10 ? -6.428 -3.261 0.479 1.00 98.54 10 A 1 ATOM 72 C CA . ILE A 1 10 ? -5.644 -3.520 -0.733 1.00 98.50 10 A 1 ATOM 73 C C . ILE A 1 10 ? -4.694 -2.351 -1.003 1.00 98.63 10 A 1 ATOM 74 O O . ILE A 1 10 ? -3.505 -2.561 -1.253 1.00 98.58 10 A 1 ATOM 75 C CB . ILE A 1 10 ? -6.576 -3.779 -1.934 1.00 98.36 10 A 1 ATOM 76 C CG1 . ILE A 1 10 ? -7.367 -5.087 -1.726 1.00 96.76 10 A 1 ATOM 77 C CG2 . ILE A 1 10 ? -5.772 -3.864 -3.241 1.00 96.13 10 A 1 ATOM 78 C CD1 . ILE A 1 10 ? -8.531 -5.258 -2.699 1.00 93.54 10 A 1 ATOM 79 N N . SER A 1 11 ? -5.204 -1.125 -0.921 1.00 98.50 11 A 1 ATOM 80 C CA . SER A 1 11 ? -4.405 0.075 -1.153 1.00 98.46 11 A 1 ATOM 81 C C . SER A 1 11 ? -3.260 0.181 -0.146 1.00 98.59 11 A 1 ATOM 82 O O . SER A 1 11 ? -2.124 0.453 -0.533 1.00 98.34 11 A 1 ATOM 83 C CB . SER A 1 11 ? -5.297 1.313 -1.083 1.00 97.92 11 A 1 ATOM 84 O OG . SER A 1 11 ? -4.556 2.464 -1.417 1.00 88.14 11 A 1 ATOM 85 N N . ALA A 1 12 ? -3.536 -0.073 1.132 1.00 98.51 12 A 1 ATOM 86 C CA . ALA A 1 12 ? -2.508 -0.037 2.167 1.00 98.51 12 A 1 ATOM 87 C C . ALA A 1 12 ? -1.408 -1.067 1.886 1.00 98.66 12 A 1 ATOM 88 O O . ALA A 1 12 ? -0.222 -0.749 1.993 1.00 98.38 12 A 1 ATOM 89 C CB . ALA A 1 12 ? -3.159 -0.278 3.531 1.00 98.13 12 A 1 ATOM 90 N N . THR A 1 13 ? -1.782 -2.276 1.484 1.00 98.54 13 A 1 ATOM 91 C CA . THR A 1 13 ? -0.814 -3.322 1.143 1.00 98.60 13 A 1 ATOM 92 C C . THR A 1 13 ? 0.040 -2.910 -0.056 1.00 98.75 13 A 1 ATOM 93 O O . THR A 1 13 ? 1.260 -3.082 -0.034 1.00 98.53 13 A 1 ATOM 94 C CB . THR A 1 13 ? -1.531 -4.644 0.850 1.00 98.26 13 A 1 ATOM 95 O OG1 . THR A 1 13 ? -2.329 -5.011 1.964 1.00 94.33 13 A 1 ATOM 96 C CG2 . THR A 1 13 ? -0.545 -5.778 0.598 1.00 92.70 13 A 1 ATOM 97 N N . LEU A 1 14 ? -0.577 -2.330 -1.082 1.00 98.62 14 A 1 ATOM 98 C CA . LEU A 1 14 ? 0.145 -1.860 -2.263 1.00 98.62 14 A 1 ATOM 99 C C . LEU A 1 14 ? 1.101 -0.717 -1.919 1.00 98.74 14 A 1 ATOM 100 O O . LEU A 1 14 ? 2.225 -0.692 -2.411 1.00 98.69 14 A 1 ATOM 101 C CB . LEU A 1 14 ? -0.852 -1.412 -3.337 1.00 98.45 14 A 1 ATOM 102 C CG . LEU A 1 14 ? -1.616 -2.561 -4.005 1.00 93.24 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? -2.710 -1.998 -4.904 1.00 90.30 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? -0.684 -3.436 -4.841 1.00 92.13 14 A 1 ATOM 105 N N . ILE A 1 15 ? 0.673 0.209 -1.071 1.00 98.69 15 A 1 ATOM 106 C CA . ILE A 1 15 ? 1.516 1.328 -0.643 1.00 98.67 15 A 1 ATOM 107 C C . ILE A 1 15 ? 2.727 0.807 0.132 1.00 98.74 15 A 1 ATOM 108 O O . ILE A 1 15 ? 3.853 1.245 -0.110 1.00 98.63 15 A 1 ATOM 109 C CB . ILE A 1 15 ? 0.698 2.335 0.187 1.00 98.51 15 A 1 ATOM 110 C CG1 . ILE A 1 15 ? -0.321 3.062 -0.713 1.00 97.44 15 A 1 ATOM 111 C CG2 . ILE A 1 15 ? 1.617 3.367 0.859 1.00 96.78 15 A 1 ATOM 112 C CD1 . ILE A 1 15 ? -1.412 3.780 0.068 1.00 93.45 15 A 1 ATOM 113 N N . ILE A 1 16 ? 2.508 -0.134 1.044 1.00 98.71 16 A 1 ATOM 114 C CA . ILE A 1 16 ? 3.602 -0.729 1.816 1.00 98.66 16 A 1 ATOM 115 C C . ILE A 1 16 ? 4.570 -1.451 0.875 1.00 98.71 16 A 1 ATOM 116 O O . ILE A 1 16 ? 5.789 -1.276 0.979 1.00 98.65 16 A 1 ATOM 117 C CB . ILE A 1 16 ? 3.048 -1.683 2.894 1.00 98.57 16 A 1 ATOM 118 C CG1 . ILE A 1 16 ? 2.295 -0.885 3.978 1.00 97.51 16 A 1 ATOM 119 C CG2 . ILE A 1 16 ? 4.184 -2.494 3.544 1.00 97.00 16 A 1 ATOM 120 C CD1 . ILE A 1 16 ? 1.400 -1.754 4.856 1.00 94.27 16 A 1 ATOM 121 N N . PHE A 1 17 ? 4.040 -2.233 -0.055 1.00 98.65 17 A 1 ATOM 122 C CA . PHE A 1 17 ? 4.866 -2.943 -1.029 1.00 98.58 17 A 1 ATOM 123 C C . PHE A 1 17 ? 5.662 -1.964 -1.898 1.00 98.64 17 A 1 ATOM 124 O O . PHE A 1 17 ? 6.858 -2.164 -2.117 1.00 98.49 17 A 1 ATOM 125 C CB . PHE A 1 17 ? 3.974 -3.843 -1.892 1.00 98.41 17 A 1 ATOM 126 C CG . PHE A 1 17 ? 4.779 -4.778 -2.762 1.00 96.27 17 A 1 ATOM 127 C CD1 . PHE A 1 17 ? 5.124 -4.422 -4.068 1.00 93.25 17 A 1 ATOM 128 C CD2 . PHE A 1 17 ? 5.212 -6.006 -2.248 1.00 94.12 17 A 1 ATOM 129 C CE1 . PHE A 1 17 ? 5.893 -5.281 -4.860 1.00 92.24 17 A 1 ATOM 130 C CE2 . PHE A 1 17 ? 5.980 -6.866 -3.038 1.00 92.73 17 A 1 ATOM 131 C CZ . PHE A 1 17 ? 6.322 -6.502 -4.343 1.00 92.91 17 A 1 ATOM 132 N N . LEU A 1 18 ? 5.015 -0.894 -2.353 1.00 98.45 18 A 1 ATOM 133 C CA . LEU A 1 18 ? 5.672 0.138 -3.149 1.00 98.32 18 A 1 ATOM 134 C C . LEU A 1 18 ? 6.765 0.838 -2.343 1.00 98.45 18 A 1 ATOM 135 O O . LEU A 1 18 ? 7.859 1.073 -2.858 1.00 98.40 18 A 1 ATOM 136 C CB . LEU A 1 18 ? 4.620 1.140 -3.636 1.00 98.08 18 A 1 ATOM 137 C CG . LEU A 1 18 ? 5.188 2.251 -4.526 1.00 92.93 18 A 1 ATOM 138 C CD1 . LEU A 1 18 ? 5.762 1.695 -5.826 1.00 90.01 18 A 1 ATOM 139 C CD2 . LEU A 1 18 ? 4.098 3.264 -4.851 1.00 91.26 18 A 1 ATOM 140 N N . ALA A 1 19 ? 6.485 1.159 -1.083 1.00 98.70 19 A 1 ATOM 141 C CA . ALA A 1 19 ? 7.467 1.795 -0.209 1.00 98.67 19 A 1 ATOM 142 C C . ALA A 1 19 ? 8.690 0.894 -0.004 1.00 98.72 19 A 1 ATOM 143 O O . ALA A 1 19 ? 9.823 1.368 -0.079 1.00 98.44 19 A 1 ATOM 144 C CB . ALA A 1 19 ? 6.804 2.141 1.128 1.00 98.50 19 A 1 ATOM 145 N N . LEU A 1 20 ? 8.472 -0.398 0.218 1.00 98.66 20 A 1 ATOM 146 C CA . LEU A 1 20 ? 9.562 -1.361 0.355 1.00 98.56 20 A 1 ATOM 147 C C . LEU A 1 20 ? 10.344 -1.492 -0.953 1.00 98.61 20 A 1 ATOM 148 O O . LEU A 1 20 ? 11.576 -1.515 -0.935 1.00 98.36 20 A 1 ATOM 149 C CB . LEU A 1 20 ? 8.999 -2.726 0.779 1.00 98.36 20 A 1 ATOM 150 C CG . LEU A 1 20 ? 8.473 -2.774 2.218 1.00 94.78 20 A 1 ATOM 151 C CD1 . LEU A 1 20 ? 7.730 -4.086 2.456 1.00 92.16 20 A 1 ATOM 152 C CD2 . LEU A 1 20 ? 9.611 -2.656 3.232 1.00 92.95 20 A 1 ATOM 153 N N . PHE A 1 21 ? 9.645 -1.537 -2.082 1.00 98.53 21 A 1 ATOM 154 C CA . PHE A 1 21 ? 10.279 -1.613 -3.395 1.00 98.40 21 A 1 ATOM 155 C C . PHE A 1 21 ? 11.160 -0.390 -3.655 1.00 98.43 21 A 1 ATOM 156 O O . PHE A 1 21 ? 12.316 -0.531 -4.058 1.00 98.16 21 A 1 ATOM 157 C CB . PHE A 1 21 ? 9.199 -1.751 -4.470 1.00 98.17 21 A 1 ATOM 158 C CG . PHE A 1 21 ? 9.786 -1.902 -5.852 1.00 97.16 21 A 1 ATOM 159 C CD1 . PHE A 1 21 ? 10.265 -3.142 -6.282 1.00 94.29 21 A 1 ATOM 160 C CD2 . PHE A 1 21 ? 9.880 -0.798 -6.700 1.00 94.73 21 A 1 ATOM 161 C CE1 . PHE A 1 21 ? 10.830 -3.281 -7.551 1.00 93.47 21 A 1 ATOM 162 C CE2 . PHE A 1 21 ? 10.451 -0.933 -7.972 1.00 93.82 21 A 1 ATOM 163 C CZ . PHE A 1 21 ? 10.928 -2.177 -8.395 1.00 94.15 21 A 1 ATOM 164 N N . LEU A 1 22 ? 10.641 0.805 -3.376 1.00 98.57 22 A 1 ATOM 165 C CA . LEU A 1 22 ? 11.407 2.043 -3.533 1.00 98.45 22 A 1 ATOM 166 C C . LEU A 1 22 ? 12.583 2.089 -2.563 1.00 98.47 22 A 1 ATOM 167 O O . LEU A 1 22 ? 13.664 2.543 -2.930 1.00 98.11 22 A 1 ATOM 168 C CB . LEU A 1 22 ? 10.486 3.250 -3.309 1.00 98.24 22 A 1 ATOM 169 C CG . LEU A 1 22 ? 9.466 3.461 -4.432 1.00 96.19 22 A 1 ATOM 170 C CD1 . LEU A 1 22 ? 8.462 4.531 -4.019 1.00 92.80 22 A 1 ATOM 171 C CD2 . LEU A 1 22 ? 10.148 3.891 -5.729 1.00 92.34 22 A 1 ATOM 172 N N . HIS A 1 23 ? 12.386 1.598 -1.348 1.00 98.51 23 A 1 ATOM 173 C CA . HIS A 1 23 ? 13.456 1.546 -0.353 1.00 98.45 23 A 1 ATOM 174 C C . HIS A 1 23 ? 14.594 0.627 -0.807 1.00 98.53 23 A 1 ATOM 175 O O . HIS A 1 23 ? 15.764 0.967 -0.650 1.00 98.11 23 A 1 ATOM 176 C CB . HIS A 1 23 ? 12.881 1.075 0.986 1.00 98.05 23 A 1 ATOM 177 C CG . HIS A 1 23 ? 13.913 1.038 2.078 1.00 96.66 23 A 1 ATOM 178 N ND1 . HIS A 1 23 ? 14.635 -0.076 2.433 1.00 87.68 23 A 1 ATOM 179 C CD2 . HIS A 1 23 ? 14.348 2.049 2.877 1.00 89.49 23 A 1 ATOM 180 C CE1 . HIS A 1 23 ? 15.477 0.257 3.420 1.00 91.09 23 A 1 ATOM 181 N NE2 . HIS A 1 23 ? 15.329 1.538 3.713 1.00 92.20 23 A 1 ATOM 182 N N . VAL A 1 24 ? 14.258 -0.532 -1.376 1.00 98.48 24 A 1 ATOM 183 C CA . VAL A 1 24 ? 15.266 -1.475 -1.882 1.00 98.37 24 A 1 ATOM 184 C C . VAL A 1 24 ? 15.921 -0.945 -3.154 1.00 98.31 24 A 1 ATOM 185 O O . VAL A 1 24 ? 17.132 -1.101 -3.340 1.00 97.51 24 A 1 ATOM 186 C CB . VAL A 1 24 ? 14.637 -2.862 -2.119 1.00 97.87 24 A 1 ATOM 187 C CG1 . VAL A 1 24 ? 15.615 -3.825 -2.791 1.00 94.68 24 A 1 ATOM 188 C CG2 . VAL A 1 24 ? 14.198 -3.484 -0.793 1.00 94.31 24 A 1 ATOM 189 N N . ASN A 1 25 ? 15.133 -0.308 -4.018 1.00 97.16 25 A 1 ATOM 190 C CA . ASN A 1 25 ? 15.639 0.226 -5.287 1.00 96.50 25 A 1 ATOM 191 C C . ASN A 1 25 ? 16.360 1.570 -5.105 1.00 95.66 25 A 1 ATOM 192 O O . ASN A 1 25 ? 17.052 2.014 -6.020 1.00 94.18 25 A 1 ATOM 193 C CB . ASN A 1 25 ? 14.458 0.340 -6.265 1.00 95.33 25 A 1 ATOM 194 C CG . ASN A 1 25 ? 14.905 0.351 -7.715 1.00 91.54 25 A 1 ATOM 195 O OD1 . ASN A 1 25 ? 16.045 0.094 -8.057 1.00 85.88 25 A 1 ATOM 196 N ND2 . ASN A 1 25 ? 13.984 0.629 -8.618 1.00 83.11 25 A 1 ATOM 197 N N . ALA A 1 26 ? 16.207 2.198 -3.926 1.00 93.70 26 A 1 ATOM 198 C CA . ALA A 1 26 ? 16.787 3.503 -3.564 1.00 92.58 26 A 1 ATOM 199 C C . ALA A 1 26 ? 16.494 4.586 -4.612 1.00 90.26 26 A 1 ATOM 200 O O . ALA A 1 26 ? 17.408 5.060 -5.293 1.00 86.58 26 A 1 ATOM 201 C CB . ALA A 1 26 ? 18.275 3.358 -3.281 1.00 87.54 26 A 1 ATOM 202 O OXT . ALA A 1 26 ? 15.288 4.958 -4.726 1.00 75.93 26 A 1 #