# 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_spkb36023 # _entry.id spkb36023 # 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" "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" "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 ARG 2 1 n ALA 3 1 n ILE 4 1 n ALA 5 1 n ILE 6 1 n LEU 7 1 n LEU 8 1 n ALA 9 1 n VAL 10 1 n VAL 11 1 n ALA 12 1 n THR 13 1 n ILE 14 1 n PHE 15 1 n ALA 16 1 n SER 17 1 n LEU 18 1 n HIS 19 1 n GLY 20 1 n VAL 21 1 n SER 22 1 n ALA 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 @ 2025-07-04 13:08:33)" _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 94.23 _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 90.34 1 1 A ARG 2 2 87.40 1 2 A ALA 3 2 98.35 1 3 A ILE 4 2 96.62 1 4 A ALA 5 2 98.64 1 5 A ILE 6 2 97.57 1 6 A LEU 7 2 96.44 1 7 A LEU 8 2 95.97 1 8 A ALA 9 2 98.22 1 9 A VAL 10 2 97.97 1 10 A VAL 11 2 97.66 1 11 A ALA 12 2 98.11 1 12 A THR 13 2 96.16 1 13 A ILE 14 2 96.86 1 14 A PHE 15 2 95.06 1 15 A ALA 16 2 97.86 1 16 A SER 17 2 95.60 1 17 A LEU 18 2 95.72 1 18 A HIS 19 2 88.58 1 19 A GLY 20 2 95.36 1 20 A VAL 21 2 90.50 1 21 A SER 22 2 88.62 1 22 A ALA 23 2 81.94 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 ARG . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n HIS . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ALA . 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 ? 3.427 -6.240 14.543 1.00 96.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.333 -5.778 15.416 1.00 96.51 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.528 -4.688 14.719 1.00 97.07 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.808 -4.956 13.774 1.00 95.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.893 -5.263 16.747 1.00 93.69 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.595 -6.347 17.547 1.00 88.18 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.266 -5.722 19.088 1.00 83.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.897 -7.232 19.801 1.00 72.14 1 A 1 ATOM 9 N N . ARG A 1 2 ? 1.674 -3.438 15.197 1.00 97.57 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 0.962 -2.302 14.604 1.00 97.58 2 A 1 ATOM 11 C C . ARG A 1 2 ? 1.428 -2.041 13.180 1.00 98.02 2 A 1 ATOM 12 O O . ARG A 1 2 ? 0.720 -1.414 12.391 1.00 97.03 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 1.181 -1.051 15.453 1.00 96.04 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 0.700 -1.198 16.892 1.00 89.28 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -0.790 -1.481 16.963 1.00 86.20 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -1.265 -1.587 18.339 1.00 79.91 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -2.482 -1.987 18.683 1.00 78.18 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -3.353 -2.340 17.758 1.00 71.01 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -2.828 -2.040 19.954 1.00 70.60 2 A 1 ATOM 20 N N . ALA A 1 3 ? 2.617 -2.524 12.850 1.00 98.21 3 A 1 ATOM 21 C CA . ALA A 1 3 ? 3.189 -2.352 11.518 1.00 98.47 3 A 1 ATOM 22 C C . ALA A 1 3 ? 2.357 -3.051 10.449 1.00 98.65 3 A 1 ATOM 23 O O . ALA A 1 3 ? 2.393 -2.671 9.280 1.00 98.35 3 A 1 ATOM 24 C CB . ALA A 1 3 ? 4.618 -2.885 11.491 1.00 98.07 3 A 1 ATOM 25 N N . ILE A 1 4 ? 1.606 -4.068 10.846 1.00 98.69 4 A 1 ATOM 26 C CA . ILE A 1 4 ? 0.767 -4.811 9.911 1.00 98.58 4 A 1 ATOM 27 C C . ILE A 1 4 ? -0.246 -3.883 9.252 1.00 98.68 4 A 1 ATOM 28 O O . ILE A 1 4 ? -0.467 -3.939 8.037 1.00 98.56 4 A 1 ATOM 29 C CB . ILE A 1 4 ? 0.035 -5.960 10.619 1.00 98.34 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? 1.051 -6.958 11.186 1.00 95.95 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? -0.913 -6.660 9.648 1.00 95.20 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? 0.417 -8.031 12.052 1.00 88.95 4 A 1 ATOM 33 N N . ALA A 1 5 ? -0.866 -3.022 10.045 1.00 98.70 5 A 1 ATOM 34 C CA . ALA A 1 5 ? -1.843 -2.076 9.519 1.00 98.71 5 A 1 ATOM 35 C C . ALA A 1 5 ? -1.188 -1.108 8.541 1.00 98.74 5 A 1 ATOM 36 O O . ALA A 1 5 ? -1.777 -0.739 7.523 1.00 98.57 5 A 1 ATOM 37 C CB . ALA A 1 5 ? -2.487 -1.307 10.666 1.00 98.49 5 A 1 ATOM 38 N N . ILE A 1 6 ? 0.037 -0.709 8.849 1.00 98.76 6 A 1 ATOM 39 C CA . ILE A 1 6 ? 0.788 0.197 7.990 1.00 98.69 6 A 1 ATOM 40 C C . ILE A 1 6 ? 1.098 -0.479 6.661 1.00 98.69 6 A 1 ATOM 41 O O . ILE A 1 6 ? 0.939 0.118 5.593 1.00 98.56 6 A 1 ATOM 42 C CB . ILE A 1 6 ? 2.093 0.646 8.665 1.00 98.62 6 A 1 ATOM 43 C CG1 . ILE A 1 6 ? 1.783 1.406 9.958 1.00 97.48 6 A 1 ATOM 44 C CG2 . ILE A 1 6 ? 2.911 1.518 7.714 1.00 97.03 6 A 1 ATOM 45 C CD1 . ILE A 1 6 ? 3.017 1.742 10.771 1.00 92.71 6 A 1 ATOM 46 N N . LEU A 1 7 ? 1.539 -1.731 6.733 1.00 98.67 7 A 1 ATOM 47 C CA . LEU A 1 7 ? 1.871 -2.483 5.529 1.00 98.62 7 A 1 ATOM 48 C C . LEU A 1 7 ? 0.652 -2.624 4.626 1.00 98.72 7 A 1 ATOM 49 O O . LEU A 1 7 ? 0.747 -2.457 3.407 1.00 98.64 7 A 1 ATOM 50 C CB . LEU A 1 7 ? 2.401 -3.868 5.904 1.00 98.36 7 A 1 ATOM 51 C CG . LEU A 1 7 ? 3.761 -3.852 6.595 1.00 92.53 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? 4.120 -5.246 7.083 1.00 92.67 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? 4.835 -3.338 5.644 1.00 93.30 7 A 1 ATOM 54 N N . LEU A 1 8 ? -0.486 -2.923 5.216 1.00 98.46 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -1.720 -3.072 4.458 1.00 98.36 8 A 1 ATOM 56 C C . LEU A 1 8 ? -2.103 -1.761 3.781 1.00 98.46 8 A 1 ATOM 57 O O . LEU A 1 8 ? -2.539 -1.749 2.627 1.00 98.42 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -2.850 -3.528 5.384 1.00 98.03 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -2.705 -4.959 5.897 1.00 91.29 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -3.780 -5.257 6.928 1.00 92.11 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -2.781 -5.952 4.747 1.00 92.62 8 A 1 ATOM 62 N N . ALA A 1 9 ? -1.940 -0.658 4.495 1.00 98.37 9 A 1 ATOM 63 C CA . ALA A 1 9 ? -2.255 0.657 3.954 1.00 98.31 9 A 1 ATOM 64 C C . ALA A 1 9 ? -1.343 1.000 2.780 1.00 98.34 9 A 1 ATOM 65 O O . ALA A 1 9 ? -1.796 1.530 1.764 1.00 97.99 9 A 1 ATOM 66 C CB . ALA A 1 9 ? -2.122 1.712 5.048 1.00 98.09 9 A 1 ATOM 67 N N . VAL A 1 10 ? -0.058 0.685 2.919 1.00 98.39 10 A 1 ATOM 68 C CA . VAL A 1 10 ? 0.914 0.951 1.861 1.00 98.35 10 A 1 ATOM 69 C C . VAL A 1 10 ? 0.593 0.126 0.622 1.00 98.39 10 A 1 ATOM 70 O O . VAL A 1 10 ? 0.571 0.647 -0.495 1.00 98.20 10 A 1 ATOM 71 C CB . VAL A 1 10 ? 2.345 0.643 2.335 1.00 98.17 10 A 1 ATOM 72 C CG1 . VAL A 1 10 ? 3.336 0.760 1.179 1.00 97.25 10 A 1 ATOM 73 C CG2 . VAL A 1 10 ? 2.743 1.593 3.451 1.00 97.01 10 A 1 ATOM 74 N N . VAL A 1 11 ? 0.343 -1.157 0.818 1.00 98.34 11 A 1 ATOM 75 C CA . VAL A 1 11 ? 0.026 -2.050 -0.295 1.00 98.22 11 A 1 ATOM 76 C C . VAL A 1 11 ? -1.237 -1.587 -1.011 1.00 98.19 11 A 1 ATOM 77 O O . VAL A 1 11 ? -1.289 -1.561 -2.243 1.00 98.02 11 A 1 ATOM 78 C CB . VAL A 1 11 ? -0.155 -3.495 0.193 1.00 97.89 11 A 1 ATOM 79 C CG1 . VAL A 1 11 ? -0.653 -4.389 -0.938 1.00 96.49 11 A 1 ATOM 80 C CG2 . VAL A 1 11 ? 1.160 -4.029 0.730 1.00 96.50 11 A 1 ATOM 81 N N . ALA A 1 12 ? -2.252 -1.225 -0.247 1.00 98.38 12 A 1 ATOM 82 C CA . ALA A 1 12 ? -3.508 -0.761 -0.823 1.00 98.21 12 A 1 ATOM 83 C C . ALA A 1 12 ? -3.296 0.511 -1.637 1.00 98.14 12 A 1 ATOM 84 O O . ALA A 1 12 ? -3.859 0.665 -2.723 1.00 97.81 12 A 1 ATOM 85 C CB . ALA A 1 12 ? -4.525 -0.508 0.285 1.00 98.03 12 A 1 ATOM 86 N N . THR A 1 13 ? -2.480 1.418 -1.123 1.00 98.04 13 A 1 ATOM 87 C CA . THR A 1 13 ? -2.191 2.675 -1.809 1.00 97.86 13 A 1 ATOM 88 C C . THR A 1 13 ? -1.455 2.421 -3.118 1.00 98.00 13 A 1 ATOM 89 O O . THR A 1 13 ? -1.804 2.986 -4.158 1.00 97.46 13 A 1 ATOM 90 C CB . THR A 1 13 ? -1.343 3.595 -0.930 1.00 97.37 13 A 1 ATOM 91 O OG1 . THR A 1 13 ? -2.031 3.871 0.283 1.00 93.38 13 A 1 ATOM 92 C CG2 . THR A 1 13 ? -1.054 4.907 -1.647 1.00 91.02 13 A 1 ATOM 93 N N . ILE A 1 14 ? -0.440 1.562 -3.066 1.00 97.99 14 A 1 ATOM 94 C CA . ILE A 1 14 ? 0.347 1.240 -4.251 1.00 97.75 14 A 1 ATOM 95 C C . ILE A 1 14 ? -0.523 0.542 -5.288 1.00 97.77 14 A 1 ATOM 96 O O . ILE A 1 14 ? -0.478 0.874 -6.476 1.00 97.48 14 A 1 ATOM 97 C CB . ILE A 1 14 ? 1.548 0.349 -3.888 1.00 97.68 14 A 1 ATOM 98 C CG1 . ILE A 1 14 ? 2.515 1.120 -2.983 1.00 96.87 14 A 1 ATOM 99 C CG2 . ILE A 1 14 ? 2.265 -0.121 -5.154 1.00 96.42 14 A 1 ATOM 100 C CD1 . ILE A 1 14 ? 3.626 0.256 -2.420 1.00 92.94 14 A 1 ATOM 101 N N . PHE A 1 15 ? -1.310 -0.415 -4.841 1.00 97.73 15 A 1 ATOM 102 C CA . PHE A 1 15 ? -2.182 -1.163 -5.737 1.00 97.41 15 A 1 ATOM 103 C C . PHE A 1 15 ? -3.143 -0.230 -6.466 1.00 97.47 15 A 1 ATOM 104 O O . PHE A 1 15 ? -3.339 -0.338 -7.678 1.00 97.34 15 A 1 ATOM 105 C CB . PHE A 1 15 ? -2.969 -2.204 -4.945 1.00 97.08 15 A 1 ATOM 106 C CG . PHE A 1 15 ? -3.796 -3.104 -5.828 1.00 96.05 15 A 1 ATOM 107 C CD1 . PHE A 1 15 ? -3.211 -4.167 -6.503 1.00 92.55 15 A 1 ATOM 108 C CD2 . PHE A 1 15 ? -5.155 -2.881 -5.984 1.00 93.24 15 A 1 ATOM 109 C CE1 . PHE A 1 15 ? -3.968 -4.992 -7.319 1.00 91.92 15 A 1 ATOM 110 C CE2 . PHE A 1 15 ? -5.918 -3.703 -6.805 1.00 92.19 15 A 1 ATOM 111 C CZ . PHE A 1 15 ? -5.327 -4.758 -7.474 1.00 92.63 15 A 1 ATOM 112 N N . ALA A 1 16 ? -3.748 0.685 -5.733 1.00 98.22 16 A 1 ATOM 113 C CA . ALA A 1 16 ? -4.673 1.649 -6.327 1.00 97.95 16 A 1 ATOM 114 C C . ALA A 1 16 ? -3.939 2.624 -7.240 1.00 98.08 16 A 1 ATOM 115 O O . ALA A 1 16 ? -4.443 2.991 -8.304 1.00 97.52 16 A 1 ATOM 116 C CB . ALA A 1 16 ? -5.398 2.411 -5.227 1.00 97.51 16 A 1 ATOM 117 N N . SER A 1 17 ? -2.743 3.036 -6.834 1.00 98.06 17 A 1 ATOM 118 C CA . SER A 1 17 ? -1.940 3.974 -7.609 1.00 97.88 17 A 1 ATOM 119 C C . SER A 1 17 ? -1.518 3.376 -8.945 1.00 98.01 17 A 1 ATOM 120 O O . SER A 1 17 ? -1.493 4.072 -9.960 1.00 97.17 17 A 1 ATOM 121 C CB . SER A 1 17 ? -0.699 4.385 -6.824 1.00 97.17 17 A 1 ATOM 122 O OG . SER A 1 17 ? 0.074 5.306 -7.563 1.00 85.32 17 A 1 ATOM 123 N N . LEU A 1 18 ? -1.198 2.077 -8.949 1.00 97.82 18 A 1 ATOM 124 C CA . LEU A 1 18 ? -0.767 1.396 -10.167 1.00 97.64 18 A 1 ATOM 125 C C . LEU A 1 18 ? -1.843 1.467 -11.241 1.00 97.67 18 A 1 ATOM 126 O O . LEU A 1 18 ? -1.541 1.577 -12.430 1.00 97.08 18 A 1 ATOM 127 C CB . LEU A 1 18 ? -0.432 -0.066 -9.869 1.00 97.30 18 A 1 ATOM 128 C CG . LEU A 1 18 ? 0.850 -0.269 -9.073 1.00 95.39 18 A 1 ATOM 129 C CD1 . LEU A 1 18 ? 0.999 -1.724 -8.665 1.00 91.86 18 A 1 ATOM 130 C CD2 . LEU A 1 18 ? 2.057 0.174 -9.890 1.00 90.97 18 A 1 ATOM 131 N N . HIS A 1 19 ? -3.101 1.405 -10.825 1.00 97.25 19 A 1 ATOM 132 C CA . HIS A 1 19 ? -4.218 1.477 -11.758 1.00 96.53 19 A 1 ATOM 133 C C . HIS A 1 19 ? -4.710 2.908 -11.933 1.00 96.28 19 A 1 ATOM 134 O O . HIS A 1 19 ? -5.634 3.174 -12.703 1.00 93.53 19 A 1 ATOM 135 C CB . HIS A 1 19 ? -5.365 0.586 -11.284 1.00 94.76 19 A 1 ATOM 136 C CG . HIS A 1 19 ? -6.390 0.333 -12.345 1.00 90.52 19 A 1 ATOM 137 N ND1 . HIS A 1 19 ? -7.656 0.860 -12.314 1.00 79.82 19 A 1 ATOM 138 C CD2 . HIS A 1 19 ? -6.313 -0.385 -13.482 1.00 77.81 19 A 1 ATOM 139 C CE1 . HIS A 1 19 ? -8.321 0.463 -13.387 1.00 79.30 19 A 1 ATOM 140 N NE2 . HIS A 1 19 ? -7.530 -0.294 -14.121 1.00 80.05 19 A 1 ATOM 141 N N . GLY A 1 20 ? -4.075 3.838 -11.230 1.00 96.01 20 A 1 ATOM 142 C CA . GLY A 1 20 ? -4.446 5.244 -11.330 1.00 95.74 20 A 1 ATOM 143 C C . GLY A 1 20 ? -5.743 5.578 -10.630 1.00 95.87 20 A 1 ATOM 144 O O . GLY A 1 20 ? -6.334 6.631 -10.877 1.00 93.83 20 A 1 ATOM 145 N N . VAL A 1 21 ? -6.187 4.690 -9.754 1.00 94.72 21 A 1 ATOM 146 C CA . VAL A 1 21 ? -7.428 4.916 -9.013 1.00 93.85 21 A 1 ATOM 147 C C . VAL A 1 21 ? -7.269 6.054 -8.015 1.00 94.03 21 A 1 ATOM 148 O O . VAL A 1 21 ? -8.200 6.830 -7.785 1.00 90.59 21 A 1 ATOM 149 C CB . VAL A 1 21 ? -7.864 3.642 -8.274 1.00 91.43 21 A 1 ATOM 150 C CG1 . VAL A 1 21 ? -9.125 3.899 -7.463 1.00 84.30 21 A 1 ATOM 151 C CG2 . VAL A 1 21 ? -8.090 2.521 -9.266 1.00 84.61 21 A 1 ATOM 152 N N . SER A 1 22 ? -6.070 6.147 -7.433 1.00 92.79 22 A 1 ATOM 153 C CA . SER A 1 22 ? -5.781 7.183 -6.445 1.00 91.70 22 A 1 ATOM 154 C C . SER A 1 22 ? -5.324 8.485 -7.095 1.00 90.81 22 A 1 ATOM 155 O O . SER A 1 22 ? -5.018 9.456 -6.408 1.00 87.40 22 A 1 ATOM 156 C CB . SER A 1 22 ? -4.713 6.697 -5.467 1.00 89.47 22 A 1 ATOM 157 O OG . SER A 1 22 ? -5.174 5.577 -4.749 1.00 79.54 22 A 1 ATOM 158 N N . ALA A 1 23 ? -5.274 8.505 -8.434 1.00 89.65 23 A 1 ATOM 159 C CA . ALA A 1 23 ? -4.823 9.680 -9.162 1.00 87.04 23 A 1 ATOM 160 C C . ALA A 1 23 ? -5.901 10.768 -9.180 1.00 82.97 23 A 1 ATOM 161 O O . ALA A 1 23 ? -7.093 10.441 -9.188 1.00 77.78 23 A 1 ATOM 162 C CB . ALA A 1 23 ? -4.434 9.295 -10.587 1.00 80.86 23 A 1 ATOM 163 O OXT . ALA A 1 23 ? -5.539 11.962 -9.196 1.00 73.36 23 A 1 #