# 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_spkb19492 # _entry.id spkb19492 # 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" "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" "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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 TYR 3 1 n CYS 4 1 n VAL 5 1 n VAL 6 1 n ILE 7 1 n LEU 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n VAL 12 1 n ALA 13 1 n LEU 14 1 n VAL 15 1 n CYS 16 1 n ILE 17 1 n THR 18 1 n GLU 19 1 n SER 20 1 n ARG 21 1 n SER 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 20:13:41)" _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 91.24 _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 87.20 1 1 A LYS 2 2 85.53 1 2 A TYR 3 2 90.05 1 3 A CYS 4 2 94.04 1 4 A VAL 5 2 95.75 1 5 A VAL 6 2 96.55 1 6 A ILE 7 2 95.10 1 7 A LEU 8 2 93.00 1 8 A ALA 9 2 97.72 1 9 A LEU 10 2 92.61 1 10 A LEU 11 2 92.89 1 11 A VAL 12 2 95.85 1 12 A ALA 13 2 97.49 1 13 A LEU 14 2 92.30 1 14 A VAL 15 2 95.64 1 15 A CYS 16 2 94.29 1 16 A ILE 17 2 93.92 1 17 A THR 18 2 92.67 1 18 A GLU 19 2 85.49 1 19 A SER 20 2 91.12 1 20 A ARG 21 2 79.15 1 21 A SER 22 2 83.31 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 LYS . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n SER . 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 ? 0.406 2.013 17.129 1.00 93.80 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.691 0.782 16.358 1.00 95.14 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.445 0.416 15.396 1.00 95.75 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.175 -0.147 14.345 1.00 93.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.021 -0.384 17.297 1.00 91.40 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.267 -0.081 18.147 1.00 83.36 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.687 -1.420 19.277 1.00 77.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.003 -0.662 20.213 1.00 67.48 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.685 0.785 15.687 1.00 93.34 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.818 0.592 14.757 1.00 94.23 2 A 1 ATOM 11 C C . LYS A 1 2 ? -2.581 1.276 13.408 1.00 94.49 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.922 0.714 12.370 1.00 93.25 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -4.119 1.117 15.385 1.00 92.39 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -4.910 0.023 16.100 1.00 83.90 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -6.225 0.573 16.653 1.00 81.18 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -7.088 -0.543 17.231 1.00 72.77 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -8.353 -0.025 17.806 1.00 64.18 2 A 1 ATOM 18 N N . TYR A 1 3 ? -1.958 2.446 13.420 1.00 93.79 3 A 1 ATOM 19 C CA . TYR A 1 3 ? -1.692 3.216 12.207 1.00 94.45 3 A 1 ATOM 20 C C . TYR A 1 3 ? -0.706 2.515 11.268 1.00 94.81 3 A 1 ATOM 21 O O . TYR A 1 3 ? -0.863 2.604 10.055 1.00 94.49 3 A 1 ATOM 22 C CB . TYR A 1 3 ? -1.180 4.604 12.597 1.00 94.54 3 A 1 ATOM 23 C CG . TYR A 1 3 ? -2.149 5.366 13.465 1.00 88.51 3 A 1 ATOM 24 C CD1 . TYR A 1 3 ? -3.348 5.854 12.913 1.00 86.73 3 A 1 ATOM 25 C CD2 . TYR A 1 3 ? -1.874 5.579 14.823 1.00 86.85 3 A 1 ATOM 26 C CE1 . TYR A 1 3 ? -4.262 6.547 13.720 1.00 86.30 3 A 1 ATOM 27 C CE2 . TYR A 1 3 ? -2.785 6.273 15.637 1.00 87.73 3 A 1 ATOM 28 C CZ . TYR A 1 3 ? -3.980 6.754 15.077 1.00 87.59 3 A 1 ATOM 29 O OH . TYR A 1 3 ? -4.876 7.432 15.865 1.00 84.82 3 A 1 ATOM 30 N N . CYS A 1 4 ? 0.261 1.759 11.799 1.00 95.79 4 A 1 ATOM 31 C CA . CYS A 1 4 ? 1.217 1.012 10.983 1.00 96.48 4 A 1 ATOM 32 C C . CYS A 1 4 ? 0.516 -0.046 10.120 1.00 97.22 4 A 1 ATOM 33 O O . CYS A 1 4 ? 0.852 -0.202 8.952 1.00 96.49 4 A 1 ATOM 34 C CB . CYS A 1 4 ? 2.267 0.350 11.885 1.00 95.14 4 A 1 ATOM 35 S SG . CYS A 1 4 ? 3.146 1.591 12.881 1.00 83.09 4 A 1 ATOM 36 N N . VAL A 1 5 ? -0.477 -0.735 10.671 1.00 97.06 5 A 1 ATOM 37 C CA . VAL A 1 5 ? -1.255 -1.745 9.939 1.00 97.22 5 A 1 ATOM 38 C C . VAL A 1 5 ? -2.102 -1.083 8.848 1.00 97.60 5 A 1 ATOM 39 O O . VAL A 1 5 ? -2.154 -1.578 7.723 1.00 97.13 5 A 1 ATOM 40 C CB . VAL A 1 5 ? -2.139 -2.560 10.903 1.00 96.76 5 A 1 ATOM 41 C CG1 . VAL A 1 5 ? -2.948 -3.625 10.163 1.00 91.96 5 A 1 ATOM 42 C CG2 . VAL A 1 5 ? -1.289 -3.258 11.970 1.00 92.52 5 A 1 ATOM 43 N N . VAL A 1 6 ? -2.708 0.056 9.158 1.00 97.69 6 A 1 ATOM 44 C CA . VAL A 1 6 ? -3.510 0.823 8.193 1.00 97.63 6 A 1 ATOM 45 C C . VAL A 1 6 ? -2.634 1.339 7.048 1.00 97.94 6 A 1 ATOM 46 O O . VAL A 1 6 ? -3.003 1.198 5.884 1.00 97.63 6 A 1 ATOM 47 C CB . VAL A 1 6 ? -4.244 1.978 8.893 1.00 97.19 6 A 1 ATOM 48 C CG1 . VAL A 1 6 ? -5.020 2.849 7.901 1.00 93.91 6 A 1 ATOM 49 C CG2 . VAL A 1 6 ? -5.234 1.441 9.928 1.00 93.83 6 A 1 ATOM 50 N N . ILE A 1 7 ? -1.459 1.879 7.360 1.00 96.86 7 A 1 ATOM 51 C CA . ILE A 1 7 ? -0.500 2.362 6.362 1.00 96.88 7 A 1 ATOM 52 C C . ILE A 1 7 ? -0.028 1.203 5.480 1.00 97.32 7 A 1 ATOM 53 O O . ILE A 1 7 ? 0.022 1.343 4.259 1.00 97.32 7 A 1 ATOM 54 C CB . ILE A 1 7 ? 0.679 3.077 7.058 1.00 97.05 7 A 1 ATOM 55 C CG1 . ILE A 1 7 ? 0.206 4.398 7.702 1.00 94.68 7 A 1 ATOM 56 C CG2 . ILE A 1 7 ? 1.821 3.371 6.069 1.00 93.91 7 A 1 ATOM 57 C CD1 . ILE A 1 7 ? 1.184 4.957 8.741 1.00 86.78 7 A 1 ATOM 58 N N . LEU A 1 8 ? 0.280 0.062 6.070 1.00 97.33 8 A 1 ATOM 59 C CA . LEU A 1 8 ? 0.694 -1.120 5.319 1.00 96.94 8 A 1 ATOM 60 C C . LEU A 1 8 ? -0.419 -1.595 4.374 1.00 97.38 8 A 1 ATOM 61 O O . LEU A 1 8 ? -0.153 -1.885 3.211 1.00 97.38 8 A 1 ATOM 62 C CB . LEU A 1 8 ? 1.105 -2.219 6.310 1.00 96.58 8 A 1 ATOM 63 C CG . LEU A 1 8 ? 1.906 -3.346 5.645 1.00 87.93 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? 3.346 -2.902 5.346 1.00 84.56 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? 1.966 -4.556 6.573 1.00 85.90 8 A 1 ATOM 66 N N . ALA A 1 9 ? -1.654 -1.627 4.846 1.00 97.89 9 A 1 ATOM 67 C CA . ALA A 1 9 ? -2.807 -1.986 4.025 1.00 97.83 9 A 1 ATOM 68 C C . ALA A 1 9 ? -3.014 -0.994 2.865 1.00 98.04 9 A 1 ATOM 69 O O . ALA A 1 9 ? -3.280 -1.415 1.740 1.00 97.40 9 A 1 ATOM 70 C CB . ALA A 1 9 ? -4.045 -2.064 4.927 1.00 97.42 9 A 1 ATOM 71 N N . LEU A 1 10 ? -2.827 0.298 3.115 1.00 97.07 10 A 1 ATOM 72 C CA . LEU A 1 10 ? -2.895 1.329 2.081 1.00 97.02 10 A 1 ATOM 73 C C . LEU A 1 10 ? -1.790 1.161 1.039 1.00 97.28 10 A 1 ATOM 74 O O . LEU A 1 10 ? -2.064 1.289 -0.153 1.00 96.71 10 A 1 ATOM 75 C CB . LEU A 1 10 ? -2.802 2.714 2.739 1.00 96.75 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -4.130 3.197 3.325 1.00 87.71 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -3.889 4.377 4.268 1.00 83.20 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? -5.084 3.657 2.227 1.00 85.13 10 A 1 ATOM 79 N N . LEU A 1 11 ? -0.572 0.835 1.454 1.00 97.00 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 0.541 0.580 0.542 1.00 96.69 11 A 1 ATOM 81 C C . LEU A 1 11 ? 0.261 -0.626 -0.355 1.00 96.71 11 A 1 ATOM 82 O O . LEU A 1 11 ? 0.451 -0.542 -1.566 1.00 96.11 11 A 1 ATOM 83 C CB . LEU A 1 11 ? 1.825 0.364 1.357 1.00 96.54 11 A 1 ATOM 84 C CG . LEU A 1 11 ? 2.431 1.665 1.906 1.00 89.67 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? 3.516 1.336 2.931 1.00 84.00 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? 3.060 2.506 0.798 1.00 86.38 11 A 1 ATOM 87 N N . VAL A 1 12 ? -0.226 -1.715 0.213 1.00 97.88 12 A 1 ATOM 88 C CA . VAL A 1 12 ? -0.596 -2.911 -0.557 1.00 97.31 12 A 1 ATOM 89 C C . VAL A 1 12 ? -1.725 -2.596 -1.541 1.00 97.22 12 A 1 ATOM 90 O O . VAL A 1 12 ? -1.649 -2.992 -2.705 1.00 96.07 12 A 1 ATOM 91 C CB . VAL A 1 12 ? -0.987 -4.062 0.386 1.00 96.78 12 A 1 ATOM 92 C CG1 . VAL A 1 12 ? -1.533 -5.270 -0.376 1.00 92.41 12 A 1 ATOM 93 C CG2 . VAL A 1 12 ? 0.229 -4.533 1.185 1.00 93.31 12 A 1 ATOM 94 N N . ALA A 1 13 ? -2.726 -1.849 -1.108 1.00 97.85 13 A 1 ATOM 95 C CA . ALA A 1 13 ? -3.811 -1.418 -1.985 1.00 97.71 13 A 1 ATOM 96 C C . ALA A 1 13 ? -3.292 -0.529 -3.126 1.00 97.82 13 A 1 ATOM 97 O O . ALA A 1 13 ? -3.690 -0.716 -4.272 1.00 96.77 13 A 1 ATOM 98 C CB . ALA A 1 13 ? -4.869 -0.694 -1.146 1.00 97.32 13 A 1 ATOM 99 N N . LEU A 1 14 ? -2.365 0.384 -2.837 1.00 97.37 14 A 1 ATOM 100 C CA . LEU A 1 14 ? -1.754 1.257 -3.836 1.00 97.11 14 A 1 ATOM 101 C C . LEU A 1 14 ? -0.984 0.455 -4.885 1.00 97.22 14 A 1 ATOM 102 O O . LEU A 1 14 ? -1.138 0.708 -6.077 1.00 96.20 14 A 1 ATOM 103 C CB . LEU A 1 14 ? -0.830 2.253 -3.123 1.00 96.54 14 A 1 ATOM 104 C CG . LEU A 1 14 ? -0.533 3.483 -3.991 1.00 87.45 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? -1.609 4.549 -3.788 1.00 82.20 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 0.820 4.078 -3.623 1.00 84.29 14 A 1 ATOM 107 N N . VAL A 1 15 ? -0.194 -0.522 -4.460 1.00 97.65 15 A 1 ATOM 108 C CA . VAL A 1 15 ? 0.538 -1.418 -5.364 1.00 97.04 15 A 1 ATOM 109 C C . VAL A 1 15 ? -0.434 -2.215 -6.234 1.00 97.05 15 A 1 ATOM 110 O O . VAL A 1 15 ? -0.247 -2.282 -7.446 1.00 96.19 15 A 1 ATOM 111 C CB . VAL A 1 15 ? 1.470 -2.345 -4.569 1.00 96.24 15 A 1 ATOM 112 C CG1 . VAL A 1 15 ? 2.114 -3.411 -5.452 1.00 92.31 15 A 1 ATOM 113 C CG2 . VAL A 1 15 ? 2.598 -1.540 -3.925 1.00 93.03 15 A 1 ATOM 114 N N . CYS A 1 16 ? -1.490 -2.747 -5.645 1.00 96.67 16 A 1 ATOM 115 C CA . CYS A 1 16 ? -2.503 -3.506 -6.379 1.00 96.48 16 A 1 ATOM 116 C C . CYS A 1 16 ? -3.203 -2.643 -7.444 1.00 96.52 16 A 1 ATOM 117 O O . CYS A 1 16 ? -3.404 -3.083 -8.573 1.00 94.99 16 A 1 ATOM 118 C CB . CYS A 1 16 ? -3.504 -4.072 -5.365 1.00 95.46 16 A 1 ATOM 119 S SG . CYS A 1 16 ? -4.567 -5.296 -6.160 1.00 85.63 16 A 1 ATOM 120 N N . ILE A 1 17 ? -3.534 -1.396 -7.111 1.00 97.30 17 A 1 ATOM 121 C CA . ILE A 1 17 ? -4.139 -0.450 -8.058 1.00 97.00 17 A 1 ATOM 122 C C . ILE A 1 17 ? -3.143 -0.079 -9.161 1.00 97.04 17 A 1 ATOM 123 O O . ILE A 1 17 ? -3.528 0.012 -10.326 1.00 96.37 17 A 1 ATOM 124 C CB . ILE A 1 17 ? -4.645 0.801 -7.314 1.00 96.65 17 A 1 ATOM 125 C CG1 . ILE A 1 17 ? -5.823 0.448 -6.386 1.00 93.40 17 A 1 ATOM 126 C CG2 . ILE A 1 17 ? -5.086 1.897 -8.306 1.00 91.09 17 A 1 ATOM 127 C CD1 . ILE A 1 17 ? -6.094 1.515 -5.317 1.00 82.52 17 A 1 ATOM 128 N N . THR A 1 18 ? -1.876 0.116 -8.811 1.00 97.17 18 A 1 ATOM 129 C CA . THR A 1 18 ? -0.829 0.459 -9.780 1.00 96.70 18 A 1 ATOM 130 C C . THR A 1 18 ? -0.601 -0.685 -10.770 1.00 96.35 18 A 1 ATOM 131 O O . THR A 1 18 ? -0.537 -0.429 -11.968 1.00 95.32 18 A 1 ATOM 132 C CB . THR A 1 18 ? 0.474 0.827 -9.063 1.00 95.94 18 A 1 ATOM 133 O OG1 . THR A 1 18 ? 0.235 1.871 -8.147 1.00 86.21 18 A 1 ATOM 134 C CG2 . THR A 1 18 ? 1.534 1.339 -10.037 1.00 81.00 18 A 1 ATOM 135 N N . GLU A 1 19 ? -0.543 -1.927 -10.288 1.00 96.57 19 A 1 ATOM 136 C CA . GLU A 1 19 ? -0.450 -3.111 -11.152 1.00 95.78 19 A 1 ATOM 137 C C . GLU A 1 19 ? -1.681 -3.261 -12.046 1.00 94.64 19 A 1 ATOM 138 O O . GLU A 1 19 ? -1.559 -3.532 -13.239 1.00 91.03 19 A 1 ATOM 139 C CB . GLU A 1 19 ? -0.280 -4.365 -10.285 1.00 94.90 19 A 1 ATOM 140 C CG . GLU A 1 19 ? 1.183 -4.739 -10.055 1.00 83.13 19 A 1 ATOM 141 C CD . GLU A 1 19 ? 1.838 -5.187 -11.365 1.00 76.23 19 A 1 ATOM 142 O OE1 . GLU A 1 19 ? 1.484 -6.272 -11.862 1.00 67.73 19 A 1 ATOM 143 O OE2 . GLU A 1 19 ? 2.674 -4.434 -11.888 1.00 69.44 19 A 1 ATOM 144 N N . SER A 1 20 ? -2.868 -3.007 -11.506 1.00 95.71 20 A 1 ATOM 145 C CA . SER A 1 20 ? -4.116 -3.072 -12.280 1.00 94.75 20 A 1 ATOM 146 C C . SER A 1 20 ? -4.220 -1.965 -13.330 1.00 93.82 20 A 1 ATOM 147 O O . SER A 1 20 ? -4.983 -2.094 -14.291 1.00 91.62 20 A 1 ATOM 148 C CB . SER A 1 20 ? -5.309 -2.999 -11.335 1.00 93.32 20 A 1 ATOM 149 O OG . SER A 1 20 ? -6.505 -3.245 -12.065 1.00 77.52 20 A 1 ATOM 150 N N . ARG A 1 21 ? -3.489 -0.862 -13.142 1.00 94.50 21 A 1 ATOM 151 C CA . ARG A 1 21 ? -3.479 0.280 -14.062 1.00 92.87 21 A 1 ATOM 152 C C . ARG A 1 21 ? -2.387 0.166 -15.125 1.00 90.42 21 A 1 ATOM 153 O O . ARG A 1 21 ? -2.395 0.957 -16.068 1.00 85.67 21 A 1 ATOM 154 C CB . ARG A 1 21 ? -3.349 1.573 -13.244 1.00 90.58 21 A 1 ATOM 155 C CG . ARG A 1 21 ? -3.748 2.798 -14.052 1.00 81.64 21 A 1 ATOM 156 C CD . ARG A 1 21 ? -3.583 4.059 -13.217 1.00 74.80 21 A 1 ATOM 157 N NE . ARG A 1 21 ? -3.972 5.245 -14.012 1.00 69.92 21 A 1 ATOM 158 C CZ . ARG A 1 21 ? -3.544 6.481 -13.818 1.00 66.40 21 A 1 ATOM 159 N NH1 . ARG A 1 21 ? -2.710 6.775 -12.858 1.00 63.20 21 A 1 ATOM 160 N NH2 . ARG A 1 21 ? -3.950 7.443 -14.601 1.00 60.64 21 A 1 ATOM 161 N N . SER A 1 22 ? -1.496 -0.776 -14.978 1.00 91.67 22 A 1 ATOM 162 C CA . SER A 1 22 ? -0.436 -1.043 -15.953 1.00 90.53 22 A 1 ATOM 163 C C . SER A 1 22 ? -1.008 -1.674 -17.227 1.00 86.15 22 A 1 ATOM 164 O O . SER A 1 22 ? -0.530 -1.323 -18.320 1.00 79.86 22 A 1 ATOM 165 C CB . SER A 1 22 ? 0.627 -1.934 -15.319 1.00 85.65 22 A 1 ATOM 166 O OG . SER A 1 22 ? 1.726 -2.029 -16.202 1.00 75.06 22 A 1 ATOM 167 O OXT . SER A 1 22 ? -1.940 -2.494 -17.106 1.00 74.28 22 A 1 #