# 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_spkb07864 # _entry.id spkb07864 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "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 THR 2 1 n ARG 3 1 n LEU 4 1 n SER 5 1 n ILE 6 1 n LEU 7 1 n GLN 8 1 n HIS 9 1 n LEU 10 1 n LEU 11 1 n THR 12 1 n PHE 13 1 n LEU 14 1 n ILE 15 1 n LEU 16 1 n SER 17 1 n LYS 18 1 n ILE 19 1 n ASN 20 1 n ALA 21 # _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 03:11:03)" _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 91.55 _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 76.05 1 1 A THR 2 2 89.83 1 2 A ARG 3 2 84.91 1 3 A LEU 4 2 91.96 1 4 A SER 5 2 93.87 1 5 A ILE 6 2 94.39 1 6 A LEU 7 2 93.24 1 7 A GLN 8 2 90.64 1 8 A HIS 9 2 91.16 1 9 A LEU 10 2 93.30 1 10 A LEU 11 2 93.32 1 11 A THR 12 2 94.97 1 12 A PHE 13 2 92.92 1 13 A LEU 14 2 94.50 1 14 A ILE 15 2 96.25 1 15 A LEU 16 2 94.20 1 16 A SER 17 2 95.69 1 17 A LYS 18 2 90.11 1 18 A ILE 19 2 94.00 1 19 A ASN 20 2 90.91 1 20 A ALA 21 2 90.20 1 21 # _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 THR . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n GLN . 8 A 8 A 9 1 n HIS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -12.245 -2.222 -8.769 1.00 84.47 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.297 -2.133 -7.641 1.00 85.89 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.048 -1.885 -6.344 1.00 85.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.896 -0.993 -6.281 1.00 81.13 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.285 -1.015 -7.882 1.00 78.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.056 -1.120 -6.996 1.00 70.39 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.571 -0.396 -7.716 1.00 64.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.052 1.321 -7.906 1.00 57.99 1 A 1 ATOM 9 N N . THR A 1 2 ? -11.755 -2.663 -5.312 1.00 92.38 2 A 1 ATOM 10 C CA . THR A 1 2 ? -12.444 -2.545 -4.027 1.00 94.02 2 A 1 ATOM 11 C C . THR A 1 2 ? -11.733 -1.559 -3.101 1.00 94.07 2 A 1 ATOM 12 O O . THR A 1 2 ? -10.517 -1.378 -3.187 1.00 90.73 2 A 1 ATOM 13 C CB . THR A 1 2 ? -12.545 -3.906 -3.331 1.00 90.74 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -11.242 -4.451 -3.143 1.00 83.92 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -13.381 -4.882 -4.135 1.00 82.92 2 A 1 ATOM 16 N N . ARG A 1 3 ? -12.512 -0.926 -2.215 1.00 93.59 3 A 1 ATOM 17 C CA . ARG A 1 3 ? -11.962 0.038 -1.258 1.00 94.68 3 A 1 ATOM 18 C C . ARG A 1 3 ? -10.982 -0.641 -0.301 1.00 95.35 3 A 1 ATOM 19 O O . ARG A 1 3 ? -9.970 -0.051 0.078 1.00 93.82 3 A 1 ATOM 20 C CB . ARG A 1 3 ? -13.096 0.689 -0.453 1.00 93.00 3 A 1 ATOM 21 C CG . ARG A 1 3 ? -13.981 1.608 -1.285 1.00 86.50 3 A 1 ATOM 22 C CD . ARG A 1 3 ? -15.095 2.189 -0.429 1.00 84.95 3 A 1 ATOM 23 N NE . ARG A 1 3 ? -15.932 3.117 -1.190 1.00 78.74 3 A 1 ATOM 24 C CZ . ARG A 1 3 ? -17.012 3.721 -0.706 1.00 75.94 3 A 1 ATOM 25 N NH1 . ARG A 1 3 ? -17.411 3.501 0.538 1.00 69.86 3 A 1 ATOM 26 N NH2 . ARG A 1 3 ? -17.703 4.548 -1.463 1.00 67.57 3 A 1 ATOM 27 N N . LEU A 1 4 ? -11.275 -1.878 0.080 1.00 95.44 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -10.423 -2.637 0.994 1.00 95.77 4 A 1 ATOM 29 C C . LEU A 1 4 ? -9.039 -2.874 0.392 1.00 96.34 4 A 1 ATOM 30 O O . LEU A 1 4 ? -8.029 -2.765 1.091 1.00 96.09 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -11.096 -3.970 1.340 1.00 95.14 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -10.392 -4.782 2.431 1.00 89.37 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -10.455 -4.063 3.771 1.00 83.68 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -11.030 -6.158 2.542 1.00 83.88 4 A 1 ATOM 35 N N . SER A 1 5 ? -8.980 -3.180 -0.898 1.00 96.04 5 A 1 ATOM 36 C CA . SER A 1 5 ? -7.718 -3.427 -1.591 1.00 96.27 5 A 1 ATOM 37 C C . SER A 1 5 ? -6.828 -2.186 -1.585 1.00 96.82 5 A 1 ATOM 38 O O . SER A 1 5 ? -5.626 -2.276 -1.335 1.00 96.02 5 A 1 ATOM 39 C CB . SER A 1 5 ? -7.985 -3.877 -3.024 1.00 94.77 5 A 1 ATOM 40 O OG . SER A 1 5 ? -6.777 -4.228 -3.656 1.00 83.28 5 A 1 ATOM 41 N N . ILE A 1 6 ? -7.417 -1.025 -1.851 1.00 95.88 6 A 1 ATOM 42 C CA . ILE A 1 6 ? -6.677 0.239 -1.863 1.00 96.14 6 A 1 ATOM 43 C C . ILE A 1 6 ? -6.123 0.554 -0.476 1.00 96.78 6 A 1 ATOM 44 O O . ILE A 1 6 ? -4.965 0.957 -0.337 1.00 96.51 6 A 1 ATOM 45 C CB . ILE A 1 6 ? -7.569 1.393 -2.360 1.00 95.69 6 A 1 ATOM 46 C CG1 . ILE A 1 6 ? -8.014 1.139 -3.807 1.00 93.28 6 A 1 ATOM 47 C CG2 . ILE A 1 6 ? -6.823 2.723 -2.260 1.00 92.28 6 A 1 ATOM 48 C CD1 . ILE A 1 6 ? -9.149 2.032 -4.256 1.00 88.58 6 A 1 ATOM 49 N N . LEU A 1 7 ? -6.952 0.367 0.552 1.00 96.61 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -6.543 0.628 1.931 1.00 96.89 7 A 1 ATOM 51 C C . LEU A 1 7 ? -5.375 -0.266 2.340 1.00 97.22 7 A 1 ATOM 52 O O . LEU A 1 7 ? -4.418 0.197 2.963 1.00 97.27 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -7.727 0.417 2.881 1.00 96.69 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -8.003 1.608 3.804 1.00 89.65 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -8.671 2.733 3.016 1.00 85.15 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -8.883 1.189 4.969 1.00 86.46 7 A 1 ATOM 57 N N . GLN A 1 8 ? -5.446 -1.549 1.987 1.00 96.99 8 A 1 ATOM 58 C CA . GLN A 1 8 ? -4.399 -2.505 2.331 1.00 97.07 8 A 1 ATOM 59 C C . GLN A 1 8 ? -3.092 -2.170 1.615 1.00 97.21 8 A 1 ATOM 60 O O . GLN A 1 8 ? -2.016 -2.256 2.212 1.00 96.52 8 A 1 ATOM 61 C CB . GLN A 1 8 ? -4.851 -3.926 1.987 1.00 96.55 8 A 1 ATOM 62 C CG . GLN A 1 8 ? -5.899 -4.456 2.969 1.00 90.28 8 A 1 ATOM 63 C CD . GLN A 1 8 ? -6.319 -5.876 2.643 1.00 85.04 8 A 1 ATOM 64 O OE1 . GLN A 1 8 ? -6.261 -6.309 1.497 1.00 80.50 8 A 1 ATOM 65 N NE2 . GLN A 1 8 ? -6.750 -6.624 3.648 1.00 75.62 8 A 1 ATOM 66 N N . HIS A 1 9 ? -3.171 -1.779 0.349 1.00 96.62 9 A 1 ATOM 67 C CA . HIS A 1 9 ? -1.983 -1.406 -0.411 1.00 96.77 9 A 1 ATOM 68 C C . HIS A 1 9 ? -1.320 -0.161 0.179 1.00 97.22 9 A 1 ATOM 69 O O . HIS A 1 9 ? -0.095 -0.098 0.287 1.00 96.42 9 A 1 ATOM 70 C CB . HIS A 1 9 ? -2.347 -1.167 -1.878 1.00 95.87 9 A 1 ATOM 71 C CG . HIS A 1 9 ? -2.270 -2.411 -2.709 1.00 92.00 9 A 1 ATOM 72 N ND1 . HIS A 1 9 ? -1.093 -2.901 -3.233 1.00 81.37 9 A 1 ATOM 73 C CD2 . HIS A 1 9 ? -3.244 -3.264 -3.106 1.00 84.63 9 A 1 ATOM 74 C CE1 . HIS A 1 9 ? -1.350 -4.005 -3.916 1.00 84.01 9 A 1 ATOM 75 N NE2 . HIS A 1 9 ? -2.655 -4.260 -3.858 1.00 86.65 9 A 1 ATOM 76 N N . LEU A 1 10 ? -2.127 0.823 0.569 1.00 96.74 10 A 1 ATOM 77 C CA . LEU A 1 10 ? -1.607 2.052 1.165 1.00 96.72 10 A 1 ATOM 78 C C . LEU A 1 10 ? -0.926 1.760 2.501 1.00 97.09 10 A 1 ATOM 79 O O . LEU A 1 10 ? 0.167 2.266 2.767 1.00 96.89 10 A 1 ATOM 80 C CB . LEU A 1 10 ? -2.738 3.067 1.353 1.00 96.58 10 A 1 ATOM 81 C CG . LEU A 1 10 ? -2.299 4.423 1.924 1.00 89.65 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -1.326 5.125 0.982 1.00 85.12 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? -3.512 5.309 2.165 1.00 87.60 10 A 1 ATOM 84 N N . LEU A 1 11 ? -1.555 0.939 3.338 1.00 97.16 11 A 1 ATOM 85 C CA . LEU A 1 11 ? -0.997 0.574 4.637 1.00 96.96 11 A 1 ATOM 86 C C . LEU A 1 11 ? 0.306 -0.200 4.467 1.00 97.11 11 A 1 ATOM 87 O O . LEU A 1 11 ? 1.287 0.064 5.164 1.00 97.13 11 A 1 ATOM 88 C CB . LEU A 1 11 ? -2.017 -0.254 5.429 1.00 96.78 11 A 1 ATOM 89 C CG . LEU A 1 11 ? -1.580 -0.635 6.848 1.00 89.84 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? -1.350 0.610 7.702 1.00 83.93 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? -2.629 -1.524 7.500 1.00 87.66 11 A 1 ATOM 92 N N . THR A 1 12 ? 0.332 -1.147 3.536 1.00 97.49 12 A 1 ATOM 93 C CA . THR A 1 12 ? 1.528 -1.944 3.263 1.00 97.39 12 A 1 ATOM 94 C C . THR A 1 12 ? 2.665 -1.050 2.769 1.00 97.31 12 A 1 ATOM 95 O O . THR A 1 12 ? 3.814 -1.212 3.181 1.00 96.19 12 A 1 ATOM 96 C CB . THR A 1 12 ? 1.225 -3.033 2.223 1.00 96.75 12 A 1 ATOM 97 O OG1 . THR A 1 12 ? 0.190 -3.885 2.706 1.00 91.10 12 A 1 ATOM 98 C CG2 . THR A 1 12 ? 2.454 -3.892 1.954 1.00 88.58 12 A 1 ATOM 99 N N . PHE A 1 13 ? 2.352 -0.099 1.896 1.00 97.25 13 A 1 ATOM 100 C CA . PHE A 1 13 ? 3.342 0.839 1.375 1.00 96.94 13 A 1 ATOM 101 C C . PHE A 1 13 ? 3.966 1.663 2.503 1.00 97.22 13 A 1 ATOM 102 O O . PHE A 1 13 ? 5.186 1.837 2.546 1.00 96.46 13 A 1 ATOM 103 C CB . PHE A 1 13 ? 2.688 1.761 0.345 1.00 96.48 13 A 1 ATOM 104 C CG . PHE A 1 13 ? 3.623 2.829 -0.168 1.00 93.55 13 A 1 ATOM 105 C CD1 . PHE A 1 13 ? 4.622 2.521 -1.082 1.00 89.47 13 A 1 ATOM 106 C CD2 . PHE A 1 13 ? 3.503 4.133 0.288 1.00 90.28 13 A 1 ATOM 107 C CE1 . PHE A 1 13 ? 5.488 3.501 -1.545 1.00 88.26 13 A 1 ATOM 108 C CE2 . PHE A 1 13 ? 4.376 5.126 -0.168 1.00 88.83 13 A 1 ATOM 109 C CZ . PHE A 1 13 ? 5.365 4.805 -1.086 1.00 87.38 13 A 1 ATOM 110 N N . LEU A 1 14 ? 3.132 2.151 3.424 1.00 97.56 14 A 1 ATOM 111 C CA . LEU A 1 14 ? 3.612 2.950 4.549 1.00 97.50 14 A 1 ATOM 112 C C . LEU A 1 14 ? 4.517 2.128 5.465 1.00 97.78 14 A 1 ATOM 113 O O . LEU A 1 14 ? 5.550 2.624 5.922 1.00 97.58 14 A 1 ATOM 114 C CB . LEU A 1 14 ? 2.424 3.508 5.344 1.00 97.37 14 A 1 ATOM 115 C CG . LEU A 1 14 ? 1.649 4.621 4.632 1.00 91.75 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? 0.325 4.885 5.339 1.00 86.81 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? 2.475 5.904 4.586 1.00 89.68 14 A 1 ATOM 118 N N . ILE A 1 15 ? 4.151 0.870 5.728 1.00 97.72 15 A 1 ATOM 119 C CA . ILE A 1 15 ? 4.945 -0.012 6.583 1.00 97.58 15 A 1 ATOM 120 C C . ILE A 1 15 ? 6.291 -0.315 5.925 1.00 97.58 15 A 1 ATOM 121 O O . ILE A 1 15 ? 7.338 -0.232 6.574 1.00 96.97 15 A 1 ATOM 122 C CB . ILE A 1 15 ? 4.173 -1.313 6.894 1.00 97.37 15 A 1 ATOM 123 C CG1 . ILE A 1 15 ? 2.935 -1.010 7.751 1.00 95.79 15 A 1 ATOM 124 C CG2 . ILE A 1 15 ? 5.081 -2.316 7.619 1.00 95.03 15 A 1 ATOM 125 C CD1 . ILE A 1 15 ? 1.938 -2.151 7.809 1.00 91.95 15 A 1 ATOM 126 N N . LEU A 1 16 ? 6.279 -0.654 4.637 1.00 97.97 16 A 1 ATOM 127 C CA . LEU A 1 16 ? 7.506 -0.943 3.900 1.00 97.56 16 A 1 ATOM 128 C C . LEU A 1 16 ? 8.417 0.282 3.837 1.00 97.61 16 A 1 ATOM 129 O O . LEU A 1 16 ? 9.639 0.158 3.907 1.00 97.13 16 A 1 ATOM 130 C CB . LEU A 1 16 ? 7.179 -1.428 2.484 1.00 97.05 16 A 1 ATOM 131 C CG . LEU A 1 16 ? 7.221 -2.952 2.324 1.00 91.06 16 A 1 ATOM 132 C CD1 . LEU A 1 16 ? 6.061 -3.613 3.061 1.00 86.62 16 A 1 ATOM 133 C CD2 . LEU A 1 16 ? 7.194 -3.332 0.857 1.00 88.59 16 A 1 ATOM 134 N N . SER A 1 17 ? 7.828 1.462 3.710 1.00 97.51 17 A 1 ATOM 135 C CA . SER A 1 17 ? 8.588 2.706 3.669 1.00 97.25 17 A 1 ATOM 136 C C . SER A 1 17 ? 9.312 2.952 4.996 1.00 97.31 17 A 1 ATOM 137 O O . SER A 1 17 ? 10.437 3.457 5.009 1.00 96.25 17 A 1 ATOM 138 C CB . SER A 1 17 ? 7.657 3.877 3.348 1.00 96.35 17 A 1 ATOM 139 O OG . SER A 1 17 ? 8.394 5.063 3.159 1.00 89.46 17 A 1 ATOM 140 N N . LYS A 1 18 ? 8.677 2.584 6.109 1.00 97.28 18 A 1 ATOM 141 C CA . LYS A 1 18 ? 9.261 2.766 7.439 1.00 97.22 18 A 1 ATOM 142 C C . LYS A 1 18 ? 10.416 1.801 7.696 1.00 97.03 18 A 1 ATOM 143 O O . LYS A 1 18 ? 11.393 2.174 8.349 1.00 96.16 18 A 1 ATOM 144 C CB . LYS A 1 18 ? 8.183 2.592 8.521 1.00 96.86 18 A 1 ATOM 145 C CG . LYS A 1 18 ? 7.213 3.765 8.622 1.00 89.55 18 A 1 ATOM 146 C CD . LYS A 1 18 ? 7.852 4.951 9.317 1.00 84.77 18 A 1 ATOM 147 C CE . LYS A 1 18 ? 6.857 6.084 9.523 1.00 79.78 18 A 1 ATOM 148 N NZ . LYS A 1 18 ? 7.475 7.223 10.248 1.00 72.31 18 A 1 ATOM 149 N N . ILE A 1 19 ? 10.301 0.560 7.201 1.00 97.38 19 A 1 ATOM 150 C CA . ILE A 1 19 ? 11.335 -0.448 7.433 1.00 96.86 19 A 1 ATOM 151 C C . ILE A 1 19 ? 12.495 -0.332 6.443 1.00 96.67 19 A 1 ATOM 152 O O . ILE A 1 19 ? 13.609 -0.766 6.746 1.00 95.49 19 A 1 ATOM 153 C CB . ILE A 1 19 ? 10.743 -1.877 7.407 1.00 96.12 19 A 1 ATOM 154 C CG1 . ILE A 1 19 ? 10.122 -2.198 6.047 1.00 92.55 19 A 1 ATOM 155 C CG2 . ILE A 1 19 ? 9.724 -2.052 8.528 1.00 89.63 19 A 1 ATOM 156 C CD1 . ILE A 1 19 ? 9.691 -3.648 5.894 1.00 87.34 19 A 1 ATOM 157 N N . ASN A 1 20 ? 12.251 0.235 5.267 1.00 96.38 20 A 1 ATOM 158 C CA . ASN A 1 20 ? 13.277 0.381 4.237 1.00 96.08 20 A 1 ATOM 159 C C . ASN A 1 20 ? 13.990 1.733 4.286 1.00 95.76 20 A 1 ATOM 160 O O . ASN A 1 20 ? 15.092 1.871 3.752 1.00 94.58 20 A 1 ATOM 161 C CB . ASN A 1 20 ? 12.665 0.162 2.845 1.00 94.62 20 A 1 ATOM 162 C CG . ASN A 1 20 ? 12.609 -1.307 2.464 1.00 88.02 20 A 1 ATOM 163 O OD1 . ASN A 1 20 ? 13.547 -2.055 2.703 1.00 80.49 20 A 1 ATOM 164 N ND2 . ASN A 1 20 ? 11.524 -1.729 1.841 1.00 81.33 20 A 1 ATOM 165 N N . ALA A 1 21 ? 13.360 2.726 4.915 1.00 95.09 21 A 1 ATOM 166 C CA . ALA A 1 21 ? 13.929 4.067 4.991 1.00 94.26 21 A 1 ATOM 167 C C . ALA A 1 21 ? 14.770 4.253 6.257 1.00 92.08 21 A 1 ATOM 168 O O . ALA A 1 21 ? 14.545 3.532 7.249 1.00 87.76 21 A 1 ATOM 169 C CB . ALA A 1 21 ? 12.820 5.117 4.917 1.00 91.67 21 A 1 ATOM 170 O OXT . ALA A 1 21 ? 15.641 5.150 6.273 1.00 80.33 21 A 1 #