# 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_spkb14164 # _entry.id spkb14164 # 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" "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 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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 GLY 2 1 n ILE 3 1 n VAL 4 1 n VAL 5 1 n PRO 6 1 n THR 7 1 n MET 8 1 n LYS 9 1 n ALA 10 1 n SER 11 1 n VAL 12 1 n ILE 13 1 n GLU 14 1 n VAL 15 1 n LEU 16 1 n LEU 17 1 n VAL 18 1 n LEU 19 1 n LEU 20 1 n VAL 21 1 n THR 22 1 n GLY 23 1 n ILE 24 1 n HIS 25 1 n SER 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 @ 2025-07-09 06:27:17)" _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 85.01 _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 59.54 1 1 A GLY 2 2 62.04 1 2 A ILE 3 2 64.30 1 3 A VAL 4 2 72.05 1 4 A VAL 5 2 75.91 1 5 A PRO 6 2 81.95 1 6 A THR 7 2 80.77 1 7 A MET 8 2 81.04 1 8 A LYS 9 2 80.91 1 9 A ALA 10 2 92.36 1 10 A SER 11 2 89.90 1 11 A VAL 12 2 92.64 1 12 A ILE 13 2 92.61 1 13 A GLU 14 2 87.98 1 14 A VAL 15 2 95.15 1 15 A LEU 16 2 92.47 1 16 A LEU 17 2 92.34 1 17 A VAL 18 2 95.77 1 18 A LEU 19 2 92.70 1 19 A LEU 20 2 92.16 1 20 A VAL 21 2 95.92 1 21 A THR 22 2 94.24 1 22 A GLY 23 2 95.58 1 23 A ILE 24 2 91.26 1 24 A HIS 25 2 78.58 1 25 A SER 26 2 81.59 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 GLY . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n HIS . 25 A 25 A 26 1 n SER . 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 ? -20.531 -2.104 16.062 1.00 60.59 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.066 -1.902 16.108 1.00 66.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.434 -2.674 14.951 1.00 67.06 1 A 1 ATOM 4 O O . MET A 1 1 ? -18.362 -3.888 15.017 1.00 61.03 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.512 -2.392 17.457 1.00 62.34 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.597 -1.318 18.544 1.00 57.20 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.305 -1.989 20.197 1.00 53.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.958 -0.475 21.119 1.00 47.72 1 A 1 ATOM 9 N N . GLY A 1 2 ? -18.052 -1.997 13.875 1.00 61.32 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -17.474 -2.621 12.680 1.00 63.31 2 A 1 ATOM 11 C C . GLY A 1 2 ? -16.189 -1.896 12.282 1.00 62.94 2 A 1 ATOM 12 O O . GLY A 1 2 ? -16.203 -1.090 11.362 1.00 60.58 2 A 1 ATOM 13 N N . ILE A 1 3 ? -15.087 -2.148 12.997 1.00 66.89 3 A 1 ATOM 14 C CA . ILE A 1 3 ? -13.774 -1.496 12.804 1.00 69.42 3 A 1 ATOM 15 C C . ILE A 1 3 ? -12.873 -2.350 11.893 1.00 70.34 3 A 1 ATOM 16 O O . ILE A 1 3 ? -11.656 -2.232 11.903 1.00 66.62 3 A 1 ATOM 17 C CB . ILE A 1 3 ? -13.115 -1.161 14.169 1.00 65.73 3 A 1 ATOM 18 C CG1 . ILE A 1 3 ? -14.124 -0.570 15.195 1.00 60.87 3 A 1 ATOM 19 C CG2 . ILE A 1 3 ? -11.957 -0.158 13.985 1.00 60.12 3 A 1 ATOM 20 C CD1 . ILE A 1 3 ? -13.540 -0.352 16.599 1.00 54.41 3 A 1 ATOM 21 N N . VAL A 1 4 ? -13.455 -3.243 11.093 1.00 74.66 4 A 1 ATOM 22 C CA . VAL A 1 4 ? -12.674 -4.199 10.275 1.00 76.72 4 A 1 ATOM 23 C C . VAL A 1 4 ? -12.342 -3.637 8.884 1.00 77.92 4 A 1 ATOM 24 O O . VAL A 1 4 ? -11.363 -4.039 8.265 1.00 74.12 4 A 1 ATOM 25 C CB . VAL A 1 4 ? -13.404 -5.557 10.206 1.00 71.71 4 A 1 ATOM 26 C CG1 . VAL A 1 4 ? -12.583 -6.617 9.476 1.00 63.39 4 A 1 ATOM 27 C CG2 . VAL A 1 4 ? -13.707 -6.096 11.606 1.00 65.84 4 A 1 ATOM 28 N N . VAL A 1 5 ? -13.107 -2.661 8.414 1.00 78.20 5 A 1 ATOM 29 C CA . VAL A 1 5 ? -12.964 -2.095 7.057 1.00 80.00 5 A 1 ATOM 30 C C . VAL A 1 5 ? -11.767 -1.135 6.892 1.00 81.05 5 A 1 ATOM 31 O O . VAL A 1 5 ? -11.142 -1.166 5.828 1.00 78.41 5 A 1 ATOM 32 C CB . VAL A 1 5 ? -14.294 -1.457 6.614 1.00 75.90 5 A 1 ATOM 33 C CG1 . VAL A 1 5 ? -14.239 -0.967 5.168 1.00 67.28 5 A 1 ATOM 34 C CG2 . VAL A 1 5 ? -15.450 -2.453 6.719 1.00 70.52 5 A 1 ATOM 35 N N . PRO A 1 6 ? -11.387 -0.287 7.872 1.00 83.72 6 A 1 ATOM 36 C CA . PRO A 1 6 ? -10.305 0.677 7.654 1.00 85.34 6 A 1 ATOM 37 C C . PRO A 1 6 ? -8.919 0.029 7.605 1.00 87.18 6 A 1 ATOM 38 O O . PRO A 1 6 ? -8.052 0.530 6.891 1.00 82.26 6 A 1 ATOM 39 C CB . PRO A 1 6 ? -10.437 1.706 8.783 1.00 80.61 6 A 1 ATOM 40 C CG . PRO A 1 6 ? -11.126 0.950 9.903 1.00 75.65 6 A 1 ATOM 41 C CD . PRO A 1 6 ? -12.027 -0.029 9.154 1.00 78.90 6 A 1 ATOM 42 N N . THR A 1 7 ? -8.702 -1.091 8.272 1.00 84.54 7 A 1 ATOM 43 C CA . THR A 1 7 ? -7.392 -1.751 8.345 1.00 85.27 7 A 1 ATOM 44 C C . THR A 1 7 ? -6.957 -2.316 6.995 1.00 86.01 7 A 1 ATOM 45 O O . THR A 1 7 ? -5.836 -2.066 6.568 1.00 84.18 7 A 1 ATOM 46 C CB . THR A 1 7 ? -7.407 -2.860 9.405 1.00 82.71 7 A 1 ATOM 47 O OG1 . THR A 1 7 ? -7.983 -2.368 10.597 1.00 71.70 7 A 1 ATOM 48 C CG2 . THR A 1 7 ? -6.007 -3.350 9.744 1.00 70.96 7 A 1 ATOM 49 N N . MET A 1 8 ? -7.835 -3.011 6.271 1.00 89.19 8 A 1 ATOM 50 C CA . MET A 1 8 ? -7.498 -3.547 4.942 1.00 89.06 8 A 1 ATOM 51 C C . MET A 1 8 ? -7.181 -2.442 3.929 1.00 90.24 8 A 1 ATOM 52 O O . MET A 1 8 ? -6.237 -2.570 3.155 1.00 86.34 8 A 1 ATOM 53 C CB . MET A 1 8 ? -8.635 -4.427 4.405 1.00 85.43 8 A 1 ATOM 54 C CG . MET A 1 8 ? -8.564 -5.844 4.966 1.00 76.30 8 A 1 ATOM 55 S SD . MET A 1 8 ? -9.743 -6.964 4.167 1.00 68.52 8 A 1 ATOM 56 C CE . MET A 1 8 ? -9.114 -8.549 4.739 1.00 63.27 8 A 1 ATOM 57 N N . LYS A 1 9 ? -7.935 -1.345 3.957 1.00 89.48 9 A 1 ATOM 58 C CA . LYS A 1 9 ? -7.716 -0.220 3.045 1.00 90.40 9 A 1 ATOM 59 C C . LYS A 1 9 ? -6.386 0.489 3.326 1.00 90.68 9 A 1 ATOM 60 O O . LYS A 1 9 ? -5.668 0.819 2.385 1.00 90.36 9 A 1 ATOM 61 C CB . LYS A 1 9 ? -8.924 0.723 3.121 1.00 88.28 9 A 1 ATOM 62 C CG . LYS A 1 9 ? -8.891 1.763 1.998 1.00 77.73 9 A 1 ATOM 63 C CD . LYS A 1 9 ? -10.164 2.617 2.012 1.00 73.97 9 A 1 ATOM 64 C CE . LYS A 1 9 ? -10.118 3.620 0.862 1.00 66.57 9 A 1 ATOM 65 N NZ . LYS A 1 9 ? -11.329 4.472 0.823 1.00 60.69 9 A 1 ATOM 66 N N . ALA A 1 10 ? -6.034 0.695 4.588 1.00 92.18 10 A 1 ATOM 67 C CA . ALA A 1 10 ? -4.757 1.277 4.988 1.00 92.96 10 A 1 ATOM 68 C C . ALA A 1 10 ? -3.583 0.365 4.607 1.00 93.94 10 A 1 ATOM 69 O O . ALA A 1 10 ? -2.641 0.834 3.976 1.00 92.01 10 A 1 ATOM 70 C CB . ALA A 1 10 ? -4.795 1.568 6.490 1.00 90.71 10 A 1 ATOM 71 N N . SER A 1 11 ? -3.677 -0.940 4.866 1.00 92.46 11 A 1 ATOM 72 C CA . SER A 1 11 ? -2.620 -1.903 4.544 1.00 93.00 11 A 1 ATOM 73 C C . SER A 1 11 ? -2.319 -1.971 3.045 1.00 94.60 11 A 1 ATOM 74 O O . SER A 1 11 ? -1.157 -2.030 2.661 1.00 92.93 11 A 1 ATOM 75 C CB . SER A 1 11 ? -2.998 -3.300 5.033 1.00 89.95 11 A 1 ATOM 76 O OG . SER A 1 11 ? -3.213 -3.311 6.432 1.00 76.44 11 A 1 ATOM 77 N N . VAL A 1 12 ? -3.328 -1.915 2.178 1.00 93.96 12 A 1 ATOM 78 C CA . VAL A 1 12 ? -3.115 -1.913 0.719 1.00 94.60 12 A 1 ATOM 79 C C . VAL A 1 12 ? -2.364 -0.656 0.268 1.00 95.90 12 A 1 ATOM 80 O O . VAL A 1 12 ? -1.441 -0.750 -0.536 1.00 95.14 12 A 1 ATOM 81 C CB . VAL A 1 12 ? -4.449 -2.065 -0.026 1.00 92.92 12 A 1 ATOM 82 C CG1 . VAL A 1 12 ? -4.309 -1.854 -1.538 1.00 87.79 12 A 1 ATOM 83 C CG2 . VAL A 1 12 ? -5.016 -3.472 0.177 1.00 88.19 12 A 1 ATOM 84 N N . ILE A 1 13 ? -2.723 0.508 0.797 1.00 94.84 13 A 1 ATOM 85 C CA . ILE A 1 13 ? -2.053 1.772 0.474 1.00 94.74 13 A 1 ATOM 86 C C . ILE A 1 13 ? -0.599 1.746 0.961 1.00 95.55 13 A 1 ATOM 87 O O . ILE A 1 13 ? 0.301 2.126 0.216 1.00 95.39 13 A 1 ATOM 88 C CB . ILE A 1 13 ? -2.843 2.960 1.051 1.00 94.28 13 A 1 ATOM 89 C CG1 . ILE A 1 13 ? -4.209 3.084 0.340 1.00 90.80 13 A 1 ATOM 90 C CG2 . ILE A 1 13 ? -2.055 4.277 0.905 1.00 89.81 13 A 1 ATOM 91 C CD1 . ILE A 1 13 ? -5.194 4.011 1.060 1.00 85.46 13 A 1 ATOM 92 N N . GLU A 1 14 ? -0.347 1.269 2.170 1.00 95.21 14 A 1 ATOM 93 C CA . GLU A 1 14 ? 1.000 1.153 2.733 1.00 95.42 14 A 1 ATOM 94 C C . GLU A 1 14 ? 1.886 0.215 1.906 1.00 96.36 14 A 1 ATOM 95 O O . GLU A 1 14 ? 3.012 0.576 1.567 1.00 95.61 14 A 1 ATOM 96 C CB . GLU A 1 14 ? 0.915 0.659 4.179 1.00 94.62 14 A 1 ATOM 97 C CG . GLU A 1 14 ? 0.368 1.734 5.121 1.00 85.68 14 A 1 ATOM 98 C CD . GLU A 1 14 ? 0.188 1.241 6.563 1.00 79.16 14 A 1 ATOM 99 O OE1 . GLU A 1 14 ? 0.004 2.103 7.446 1.00 72.86 14 A 1 ATOM 100 O OE2 . GLU A 1 14 ? 0.207 0.005 6.790 1.00 76.89 14 A 1 ATOM 101 N N . VAL A 1 15 ? 1.378 -0.950 1.499 1.00 96.19 15 A 1 ATOM 102 C CA . VAL A 1 15 ? 2.116 -1.898 0.653 1.00 96.30 15 A 1 ATOM 103 C C . VAL A 1 15 ? 2.447 -1.285 -0.708 1.00 96.94 15 A 1 ATOM 104 O O . VAL A 1 15 ? 3.574 -1.425 -1.182 1.00 96.16 15 A 1 ATOM 105 C CB . VAL A 1 15 ? 1.328 -3.213 0.503 1.00 95.36 15 A 1 ATOM 106 C CG1 . VAL A 1 15 ? 1.936 -4.148 -0.546 1.00 92.61 15 A 1 ATOM 107 C CG2 . VAL A 1 15 ? 1.308 -3.979 1.828 1.00 92.46 15 A 1 ATOM 108 N N . LEU A 1 16 ? 1.512 -0.567 -1.322 1.00 96.20 16 A 1 ATOM 109 C CA . LEU A 1 16 ? 1.754 0.110 -2.596 1.00 96.05 16 A 1 ATOM 110 C C . LEU A 1 16 ? 2.813 1.212 -2.474 1.00 96.54 16 A 1 ATOM 111 O O . LEU A 1 16 ? 3.664 1.334 -3.354 1.00 96.32 16 A 1 ATOM 112 C CB . LEU A 1 16 ? 0.435 0.695 -3.123 1.00 95.44 16 A 1 ATOM 113 C CG . LEU A 1 16 ? -0.535 -0.359 -3.684 1.00 87.68 16 A 1 ATOM 114 C CD1 . LEU A 1 16 ? -1.886 0.293 -3.972 1.00 85.44 16 A 1 ATOM 115 C CD2 . LEU A 1 16 ? -0.016 -0.979 -4.985 1.00 86.12 16 A 1 ATOM 116 N N . LEU A 1 17 ? 2.800 1.988 -1.386 1.00 96.56 17 A 1 ATOM 117 C CA . LEU A 1 17 ? 3.806 3.017 -1.128 1.00 96.32 17 A 1 ATOM 118 C C . LEU A 1 17 ? 5.197 2.410 -0.922 1.00 96.75 17 A 1 ATOM 119 O O . LEU A 1 17 ? 6.159 2.879 -1.526 1.00 96.44 17 A 1 ATOM 120 C CB . LEU A 1 17 ? 3.393 3.845 0.099 1.00 95.29 17 A 1 ATOM 121 C CG . LEU A 1 17 ? 2.233 4.819 -0.162 1.00 86.35 17 A 1 ATOM 122 C CD1 . LEU A 1 17 ? 1.772 5.426 1.163 1.00 85.00 17 A 1 ATOM 123 C CD2 . LEU A 1 17 ? 2.643 5.958 -1.096 1.00 86.01 17 A 1 ATOM 124 N N . VAL A 1 18 ? 5.307 1.342 -0.127 1.00 96.80 18 A 1 ATOM 125 C CA . VAL A 1 18 ? 6.577 0.637 0.094 1.00 96.65 18 A 1 ATOM 126 C C . VAL A 1 18 ? 7.104 0.054 -1.216 1.00 97.10 18 A 1 ATOM 127 O O . VAL A 1 18 ? 8.280 0.232 -1.533 1.00 96.53 18 A 1 ATOM 128 C CB . VAL A 1 18 ? 6.412 -0.457 1.165 1.00 95.75 18 A 1 ATOM 129 C CG1 . VAL A 1 18 ? 7.652 -1.353 1.278 1.00 93.75 18 A 1 ATOM 130 C CG2 . VAL A 1 18 ? 6.180 0.168 2.543 1.00 93.83 18 A 1 ATOM 131 N N . LEU A 1 19 ? 6.250 -0.577 -2.015 1.00 96.74 19 A 1 ATOM 132 C CA . LEU A 1 19 ? 6.631 -1.136 -3.311 1.00 96.30 19 A 1 ATOM 133 C C . LEU A 1 19 ? 7.105 -0.051 -4.283 1.00 96.59 19 A 1 ATOM 134 O O . LEU A 1 19 ? 8.115 -0.232 -4.961 1.00 95.80 19 A 1 ATOM 135 C CB . LEU A 1 19 ? 5.432 -1.910 -3.877 1.00 95.31 19 A 1 ATOM 136 C CG . LEU A 1 19 ? 5.751 -2.668 -5.175 1.00 88.87 19 A 1 ATOM 137 C CD1 . LEU A 1 19 ? 6.727 -3.822 -4.933 1.00 85.69 19 A 1 ATOM 138 C CD2 . LEU A 1 19 ? 4.457 -3.247 -5.755 1.00 86.32 19 A 1 ATOM 139 N N . LEU A 1 20 ? 6.415 1.089 -4.322 1.00 96.96 20 A 1 ATOM 140 C CA . LEU A 1 20 ? 6.782 2.223 -5.165 1.00 96.79 20 A 1 ATOM 141 C C . LEU A 1 20 ? 8.146 2.796 -4.767 1.00 96.96 20 A 1 ATOM 142 O O . LEU A 1 20 ? 9.017 2.949 -5.619 1.00 96.01 20 A 1 ATOM 143 C CB . LEU A 1 20 ? 5.670 3.279 -5.068 1.00 96.06 20 A 1 ATOM 144 C CG . LEU A 1 20 ? 5.912 4.518 -5.941 1.00 87.78 20 A 1 ATOM 145 C CD1 . LEU A 1 20 ? 5.824 4.176 -7.432 1.00 83.10 20 A 1 ATOM 146 C CD2 . LEU A 1 20 ? 4.860 5.581 -5.631 1.00 83.64 20 A 1 ATOM 147 N N . VAL A 1 21 ? 8.348 3.083 -3.474 1.00 97.56 21 A 1 ATOM 148 C CA . VAL A 1 21 ? 9.611 3.636 -2.964 1.00 97.37 21 A 1 ATOM 149 C C . VAL A 1 21 ? 10.761 2.654 -3.189 1.00 97.36 21 A 1 ATOM 150 O O . VAL A 1 21 ? 11.817 3.046 -3.686 1.00 96.38 21 A 1 ATOM 151 C CB . VAL A 1 21 ? 9.473 4.011 -1.476 1.00 96.45 21 A 1 ATOM 152 C CG1 . VAL A 1 21 ? 10.808 4.419 -0.846 1.00 92.77 21 A 1 ATOM 153 C CG2 . VAL A 1 21 ? 8.514 5.193 -1.309 1.00 93.57 21 A 1 ATOM 154 N N . THR A 1 22 ? 10.552 1.370 -2.898 1.00 97.49 22 A 1 ATOM 155 C CA . THR A 1 22 ? 11.575 0.332 -3.087 1.00 97.08 22 A 1 ATOM 156 C C . THR A 1 22 ? 11.889 0.126 -4.569 1.00 97.05 22 A 1 ATOM 157 O O . THR A 1 22 ? 13.053 -0.000 -4.929 1.00 94.86 22 A 1 ATOM 158 C CB . THR A 1 22 ? 11.126 -0.995 -2.455 1.00 95.86 22 A 1 ATOM 159 O OG1 . THR A 1 22 ? 10.780 -0.804 -1.099 1.00 89.23 22 A 1 ATOM 160 C CG2 . THR A 1 22 ? 12.230 -2.049 -2.469 1.00 88.10 22 A 1 ATOM 161 N N . GLY A 1 23 ? 10.890 0.149 -5.437 1.00 96.19 23 A 1 ATOM 162 C CA . GLY A 1 23 ? 11.076 0.013 -6.882 1.00 95.66 23 A 1 ATOM 163 C C . GLY A 1 23 ? 11.805 1.201 -7.518 1.00 95.95 23 A 1 ATOM 164 O O . GLY A 1 23 ? 12.576 1.008 -8.452 1.00 94.52 23 A 1 ATOM 165 N N . ILE A 1 24 ? 11.609 2.426 -7.003 1.00 95.42 24 A 1 ATOM 166 C CA . ILE A 1 24 ? 12.331 3.624 -7.470 1.00 94.86 24 A 1 ATOM 167 C C . ILE A 1 24 ? 13.773 3.644 -6.942 1.00 93.90 24 A 1 ATOM 168 O O . ILE A 1 24 ? 14.662 4.169 -7.610 1.00 92.94 24 A 1 ATOM 169 C CB . ILE A 1 24 ? 11.562 4.898 -7.059 1.00 94.37 24 A 1 ATOM 170 C CG1 . ILE A 1 24 ? 10.209 4.979 -7.798 1.00 89.87 24 A 1 ATOM 171 C CG2 . ILE A 1 24 ? 12.368 6.179 -7.353 1.00 86.82 24 A 1 ATOM 172 C CD1 . ILE A 1 24 ? 9.238 5.992 -7.185 1.00 81.90 24 A 1 ATOM 173 N N . HIS A 1 25 ? 14.008 3.096 -5.740 1.00 90.85 25 A 1 ATOM 174 C CA . HIS A 1 25 ? 15.326 3.108 -5.094 1.00 89.91 25 A 1 ATOM 175 C C . HIS A 1 25 ? 16.225 1.930 -5.518 1.00 88.83 25 A 1 ATOM 176 O O . HIS A 1 25 ? 17.419 1.932 -5.219 1.00 85.25 25 A 1 ATOM 177 C CB . HIS A 1 25 ? 15.123 3.155 -3.573 1.00 86.64 25 A 1 ATOM 178 C CG . HIS A 1 25 ? 16.315 3.673 -2.820 1.00 78.66 25 A 1 ATOM 179 N ND1 . HIS A 1 25 ? 16.545 4.998 -2.511 1.00 68.73 25 A 1 ATOM 180 C CD2 . HIS A 1 25 ? 17.374 2.964 -2.326 1.00 65.80 25 A 1 ATOM 181 C CE1 . HIS A 1 25 ? 17.718 5.067 -1.853 1.00 65.92 25 A 1 ATOM 182 N NE2 . HIS A 1 25 ? 18.256 3.855 -1.718 1.00 65.19 25 A 1 ATOM 183 N N . SER A 1 26 ? 15.670 0.924 -6.193 1.00 89.43 26 A 1 ATOM 184 C CA . SER A 1 26 ? 16.406 -0.254 -6.664 1.00 88.74 26 A 1 ATOM 185 C C . SER A 1 26 ? 16.969 -0.093 -8.071 1.00 83.33 26 A 1 ATOM 186 O O . SER A 1 26 ? 16.459 0.748 -8.838 1.00 77.64 26 A 1 ATOM 187 C CB . SER A 1 26 ? 15.530 -1.502 -6.576 1.00 82.73 26 A 1 ATOM 188 O OG . SER A 1 26 ? 16.348 -2.654 -6.758 1.00 73.97 26 A 1 ATOM 189 O OXT . SER A 1 26 ? 17.911 -0.852 -8.395 1.00 75.31 26 A 1 #