# 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_spkb38335 # _entry.id spkb38335 # 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" "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" "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 LYS 2 1 n ILE 3 1 n LYS 4 1 n SER 5 1 n ALA 6 1 n LEU 7 1 n LEU 8 1 n THR 9 1 n LEU 10 1 n VAL 11 1 n GLY 12 1 n ALA 13 1 n LEU 14 1 n THR 15 1 n VAL 16 1 n PHE 17 1 n SER 18 1 n SER 19 1 n SER 20 1 n ALA 21 1 n HIS 22 1 n SER 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 @ 2025-07-06 13:03:28)" _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 91.63 _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 85.99 1 1 A LYS 2 2 89.15 1 2 A ILE 3 2 93.56 1 3 A LYS 4 2 89.50 1 4 A SER 5 2 94.55 1 5 A ALA 6 2 98.25 1 6 A LEU 7 2 94.26 1 7 A LEU 8 2 94.68 1 8 A THR 9 2 96.45 1 9 A LEU 10 2 95.39 1 10 A VAL 11 2 97.43 1 11 A GLY 12 2 97.66 1 12 A ALA 13 2 97.85 1 13 A LEU 14 2 94.71 1 14 A THR 15 2 95.39 1 15 A VAL 16 2 95.76 1 16 A PHE 17 2 92.94 1 17 A SER 18 2 92.79 1 18 A SER 19 2 92.58 1 19 A SER 20 2 90.06 1 20 A ALA 21 2 91.65 1 21 A HIS 22 2 75.32 1 22 A SER 23 2 74.52 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 LYS . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n SER . 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 ? -16.794 0.065 -0.693 1.00 92.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.788 -1.293 -0.134 1.00 93.92 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.706 -1.422 0.933 1.00 94.30 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.610 -0.900 0.771 1.00 89.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.534 -2.328 -1.232 1.00 88.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.623 -2.330 -2.283 1.00 82.32 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.295 -3.512 -3.601 1.00 78.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.733 -3.273 -4.609 1.00 68.35 1 A 1 ATOM 9 N N . LYS A 1 2 ? -16.016 -2.124 2.003 1.00 95.49 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -15.070 -2.297 3.107 1.00 96.79 2 A 1 ATOM 11 C C . LYS A 1 2 ? -13.854 -3.118 2.680 1.00 97.01 2 A 1 ATOM 12 O O . LYS A 1 2 ? -12.714 -2.768 2.983 1.00 96.00 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -15.769 -2.965 4.287 1.00 95.14 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -16.878 -2.107 4.878 1.00 87.60 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -17.561 -2.814 6.034 1.00 85.85 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -18.671 -1.953 6.612 1.00 77.17 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -19.383 -2.650 7.721 1.00 71.34 2 A 1 ATOM 18 N N . ILE A 1 3 ? -14.099 -4.207 1.971 1.00 95.91 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -13.022 -5.081 1.505 1.00 97.09 3 A 1 ATOM 20 C C . ILE A 1 3 ? -12.126 -4.353 0.512 1.00 97.77 3 A 1 ATOM 21 O O . ILE A 1 3 ? -10.898 -4.430 0.586 1.00 97.21 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -13.592 -6.354 0.863 1.00 96.47 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? -14.422 -7.132 1.887 1.00 91.25 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -12.459 -7.221 0.323 1.00 90.08 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? -15.172 -8.306 1.276 1.00 82.72 3 A 1 ATOM 26 N N . LYS A 1 4 ? -12.742 -3.636 -0.426 1.00 97.53 4 A 1 ATOM 27 C CA . LYS A 1 4 ? -11.995 -2.891 -1.437 1.00 97.51 4 A 1 ATOM 28 C C . LYS A 1 4 ? -11.076 -1.870 -0.785 1.00 97.56 4 A 1 ATOM 29 O O . LYS A 1 4 ? -9.912 -1.734 -1.162 1.00 97.35 4 A 1 ATOM 30 C CB . LYS A 1 4 ? -12.972 -2.195 -2.383 1.00 97.05 4 A 1 ATOM 31 C CG . LYS A 1 4 ? -12.283 -1.468 -3.536 1.00 88.94 4 A 1 ATOM 32 C CD . LYS A 1 4 ? -11.608 -2.445 -4.478 1.00 85.22 4 A 1 ATOM 33 C CE . LYS A 1 4 ? -11.016 -1.724 -5.683 1.00 75.43 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? -10.392 -2.676 -6.636 1.00 68.87 4 A 1 ATOM 35 N N . SER A 1 5 ? -11.593 -1.156 0.195 1.00 96.73 5 A 1 ATOM 36 C CA . SER A 1 5 ? -10.819 -0.148 0.914 1.00 96.92 5 A 1 ATOM 37 C C . SER A 1 5 ? -9.633 -0.787 1.632 1.00 97.43 5 A 1 ATOM 38 O O . SER A 1 5 ? -8.529 -0.242 1.631 1.00 97.05 5 A 1 ATOM 39 C CB . SER A 1 5 ? -11.704 0.574 1.923 1.00 95.98 5 A 1 ATOM 40 O OG . SER A 1 5 ? -10.961 1.557 2.605 1.00 83.19 5 A 1 ATOM 41 N N . ALA A 1 6 ? -9.863 -1.944 2.227 1.00 98.18 6 A 1 ATOM 42 C CA . ALA A 1 6 ? -8.809 -2.660 2.938 1.00 98.27 6 A 1 ATOM 43 C C . ALA A 1 6 ? -7.681 -3.055 1.986 1.00 98.49 6 A 1 ATOM 44 O O . ALA A 1 6 ? -6.503 -2.921 2.323 1.00 98.17 6 A 1 ATOM 45 C CB . ALA A 1 6 ? -9.389 -3.900 3.608 1.00 98.12 6 A 1 ATOM 46 N N . LEU A 1 7 ? -8.038 -3.518 0.795 1.00 97.95 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -7.053 -3.918 -0.203 1.00 98.05 7 A 1 ATOM 48 C C . LEU A 1 7 ? -6.198 -2.734 -0.630 1.00 98.31 7 A 1 ATOM 49 O O . LEU A 1 7 ? -4.977 -2.843 -0.732 1.00 98.20 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -7.756 -4.513 -1.423 1.00 97.84 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -8.444 -5.847 -1.156 1.00 90.25 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -9.256 -6.272 -2.370 1.00 85.81 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -7.422 -6.915 -0.803 1.00 87.66 7 A 1 ATOM 54 N N . LEU A 1 8 ? -6.833 -1.594 -0.872 1.00 98.40 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -6.122 -0.386 -1.279 1.00 98.26 8 A 1 ATOM 56 C C . LEU A 1 8 ? -5.152 0.061 -0.193 1.00 98.32 8 A 1 ATOM 57 O O . LEU A 1 8 ? -4.024 0.461 -0.480 1.00 97.99 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -7.123 0.732 -1.572 1.00 97.90 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -7.975 0.490 -2.819 1.00 90.42 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -9.045 1.564 -2.940 1.00 87.88 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -7.111 0.471 -4.071 1.00 88.24 8 A 1 ATOM 62 N N . THR A 1 9 ? -5.594 -0.009 1.041 1.00 98.32 9 A 1 ATOM 63 C CA . THR A 1 9 ? -4.761 0.387 2.171 1.00 98.30 9 A 1 ATOM 64 C C . THR A 1 9 ? -3.545 -0.530 2.288 1.00 98.41 9 A 1 ATOM 65 O O . THR A 1 9 ? -2.418 -0.062 2.483 1.00 97.99 9 A 1 ATOM 66 C CB . THR A 1 9 ? -5.560 0.334 3.476 1.00 97.96 9 A 1 ATOM 67 O OG1 . THR A 1 9 ? -6.692 1.197 3.383 1.00 93.94 9 A 1 ATOM 68 C CG2 . THR A 1 9 ? -4.699 0.780 4.652 1.00 90.24 9 A 1 ATOM 69 N N . LEU A 1 10 ? -3.775 -1.827 2.157 1.00 98.21 10 A 1 ATOM 70 C CA . LEU A 1 10 ? -2.700 -2.808 2.250 1.00 98.18 10 A 1 ATOM 71 C C . LEU A 1 10 ? -1.673 -2.598 1.146 1.00 98.35 10 A 1 ATOM 72 O O . LEU A 1 10 ? -0.465 -2.581 1.399 1.00 98.02 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -3.280 -4.220 2.161 1.00 97.81 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -2.239 -5.326 2.330 1.00 93.00 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -1.624 -5.270 3.719 1.00 89.14 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? -2.875 -6.684 2.088 1.00 90.39 10 A 1 ATOM 77 N N . VAL A 1 11 ? -2.148 -2.435 -0.085 1.00 98.44 11 A 1 ATOM 78 C CA . VAL A 1 11 ? -1.270 -2.208 -1.230 1.00 98.34 11 A 1 ATOM 79 C C . VAL A 1 11 ? -0.515 -0.898 -1.069 1.00 98.36 11 A 1 ATOM 80 O O . VAL A 1 11 ? 0.666 -0.800 -1.410 1.00 98.00 11 A 1 ATOM 81 C CB . VAL A 1 11 ? -2.077 -2.195 -2.538 1.00 97.94 11 A 1 ATOM 82 C CG1 . VAL A 1 11 ? -1.192 -1.816 -3.721 1.00 95.33 11 A 1 ATOM 83 C CG2 . VAL A 1 11 ? -2.705 -3.560 -2.780 1.00 95.59 11 A 1 ATOM 84 N N . GLY A 1 12 ? -1.191 0.109 -0.547 1.00 97.90 12 A 1 ATOM 85 C CA . GLY A 1 12 ? -0.565 1.409 -0.327 1.00 97.63 12 A 1 ATOM 86 C C . GLY A 1 12 ? 0.647 1.299 0.578 1.00 97.82 12 A 1 ATOM 87 O O . GLY A 1 12 ? 1.704 1.859 0.290 1.00 97.30 12 A 1 ATOM 88 N N . ALA A 1 13 ? 0.504 0.567 1.671 1.00 98.18 13 A 1 ATOM 89 C CA . ALA A 1 13 ? 1.603 0.374 2.611 1.00 98.07 13 A 1 ATOM 90 C C . ALA A 1 13 ? 2.770 -0.352 1.943 1.00 98.13 13 A 1 ATOM 91 O O . ALA A 1 13 ? 3.932 0.020 2.127 1.00 97.23 13 A 1 ATOM 92 C CB . ALA A 1 13 ? 1.115 -0.417 3.821 1.00 97.62 13 A 1 ATOM 93 N N . LEU A 1 14 ? 2.458 -1.373 1.158 1.00 97.94 14 A 1 ATOM 94 C CA . LEU A 1 14 ? 3.479 -2.142 0.451 1.00 97.72 14 A 1 ATOM 95 C C . LEU A 1 14 ? 4.217 -1.268 -0.552 1.00 97.79 14 A 1 ATOM 96 O O . LEU A 1 14 ? 5.437 -1.367 -0.699 1.00 97.06 14 A 1 ATOM 97 C CB . LEU A 1 14 ? 2.833 -3.325 -0.266 1.00 97.29 14 A 1 ATOM 98 C CG . LEU A 1 14 ? 3.833 -4.232 -0.980 1.00 92.50 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? 4.787 -4.867 0.016 1.00 88.09 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? 3.097 -5.302 -1.773 1.00 89.31 14 A 1 ATOM 101 N N . THR A 1 15 ? 3.485 -0.407 -1.248 1.00 98.03 15 A 1 ATOM 102 C CA . THR A 1 15 ? 4.067 0.490 -2.244 1.00 97.79 15 A 1 ATOM 103 C C . THR A 1 15 ? 5.073 1.436 -1.599 1.00 97.78 15 A 1 ATOM 104 O O . THR A 1 15 ? 6.176 1.630 -2.112 1.00 96.61 15 A 1 ATOM 105 C CB . THR A 1 15 ? 2.973 1.311 -2.935 1.00 97.13 15 A 1 ATOM 106 O OG1 . THR A 1 15 ? 2.040 0.441 -3.564 1.00 91.62 15 A 1 ATOM 107 C CG2 . THR A 1 15 ? 3.580 2.224 -3.992 1.00 88.74 15 A 1 ATOM 108 N N . VAL A 1 16 ? 4.699 2.029 -0.480 1.00 97.94 16 A 1 ATOM 109 C CA . VAL A 1 16 ? 5.584 2.949 0.233 1.00 97.45 16 A 1 ATOM 110 C C . VAL A 1 16 ? 6.847 2.226 0.690 1.00 97.06 16 A 1 ATOM 111 O O . VAL A 1 16 ? 7.961 2.729 0.526 1.00 95.37 16 A 1 ATOM 112 C CB . VAL A 1 16 ? 4.870 3.570 1.439 1.00 96.51 16 A 1 ATOM 113 C CG1 . VAL A 1 16 ? 5.830 4.432 2.248 1.00 92.86 16 A 1 ATOM 114 C CG2 . VAL A 1 16 ? 3.687 4.404 0.974 1.00 93.12 16 A 1 ATOM 115 N N . PHE A 1 17 ? 6.671 1.046 1.267 1.00 97.11 17 A 1 ATOM 116 C CA . PHE A 1 17 ? 7.800 0.256 1.742 1.00 96.51 17 A 1 ATOM 117 C C . PHE A 1 17 ? 8.727 -0.118 0.593 1.00 96.62 17 A 1 ATOM 118 O O . PHE A 1 17 ? 9.951 0.009 0.705 1.00 95.14 17 A 1 ATOM 119 C CB . PHE A 1 17 ? 7.296 -1.005 2.437 1.00 95.92 17 A 1 ATOM 120 C CG . PHE A 1 17 ? 8.415 -1.851 2.983 1.00 92.94 17 A 1 ATOM 121 C CD1 . PHE A 1 17 ? 9.073 -1.483 4.147 1.00 89.92 17 A 1 ATOM 122 C CD2 . PHE A 1 17 ? 8.811 -3.008 2.328 1.00 90.20 17 A 1 ATOM 123 C CE1 . PHE A 1 17 ? 10.111 -2.256 4.649 1.00 89.05 17 A 1 ATOM 124 C CE2 . PHE A 1 17 ? 9.854 -3.784 2.826 1.00 89.41 17 A 1 ATOM 125 C CZ . PHE A 1 17 ? 10.501 -3.404 3.987 1.00 89.49 17 A 1 ATOM 126 N N . SER A 1 18 ? 8.148 -0.566 -0.517 1.00 96.93 18 A 1 ATOM 127 C CA . SER A 1 18 ? 8.925 -0.956 -1.690 1.00 96.32 18 A 1 ATOM 128 C C . SER A 1 18 ? 9.699 0.229 -2.255 1.00 95.86 18 A 1 ATOM 129 O O . SER A 1 18 ? 10.878 0.113 -2.592 1.00 93.23 18 A 1 ATOM 130 C CB . SER A 1 18 ? 8.008 -1.530 -2.766 1.00 94.95 18 A 1 ATOM 131 O OG . SER A 1 18 ? 8.764 -1.922 -3.892 1.00 79.44 18 A 1 ATOM 132 N N . SER A 1 19 ? 9.047 1.383 -2.349 1.00 96.88 19 A 1 ATOM 133 C CA . SER A 1 19 ? 9.678 2.594 -2.867 1.00 96.06 19 A 1 ATOM 134 C C . SER A 1 19 ? 10.849 3.017 -1.986 1.00 95.79 19 A 1 ATOM 135 O O . SER A 1 19 ? 11.908 3.401 -2.483 1.00 92.76 19 A 1 ATOM 136 C CB . SER A 1 19 ? 8.663 3.729 -2.946 1.00 94.18 19 A 1 ATOM 137 O OG . SER A 1 19 ? 9.270 4.890 -3.467 1.00 79.80 19 A 1 ATOM 138 N N . SER A 1 20 ? 10.664 2.939 -0.675 1.00 94.75 20 A 1 ATOM 139 C CA . SER A 1 20 ? 11.708 3.303 0.280 1.00 94.00 20 A 1 ATOM 140 C C . SER A 1 20 ? 12.899 2.355 0.180 1.00 93.33 20 A 1 ATOM 141 O O . SER A 1 20 ? 14.055 2.786 0.223 1.00 89.42 20 A 1 ATOM 142 C CB . SER A 1 20 ? 11.157 3.279 1.701 1.00 91.39 20 A 1 ATOM 143 O OG . SER A 1 20 ? 12.163 3.648 2.619 1.00 77.47 20 A 1 ATOM 144 N N . ALA A 1 21 ? 12.619 1.063 0.040 1.00 93.42 21 A 1 ATOM 145 C CA . ALA A 1 21 ? 13.664 0.048 -0.069 1.00 92.67 21 A 1 ATOM 146 C C . ALA A 1 21 ? 14.459 0.203 -1.357 1.00 92.33 21 A 1 ATOM 147 O O . ALA A 1 21 ? 15.676 0.005 -1.379 1.00 89.70 21 A 1 ATOM 148 C CB . ALA A 1 21 ? 13.049 -1.344 -0.002 1.00 90.15 21 A 1 ATOM 149 N N . HIS A 1 22 ? 13.776 0.567 -2.435 1.00 90.83 22 A 1 ATOM 150 C CA . HIS A 1 22 ? 14.425 0.743 -3.736 1.00 89.08 22 A 1 ATOM 151 C C . HIS A 1 22 ? 14.997 2.152 -3.866 1.00 88.02 22 A 1 ATOM 152 O O . HIS A 1 22 ? 14.254 3.137 -3.905 1.00 80.77 22 A 1 ATOM 153 C CB . HIS A 1 22 ? 13.432 0.475 -4.866 1.00 84.27 22 A 1 ATOM 154 C CG . HIS A 1 22 ? 14.073 0.505 -6.225 1.00 74.30 22 A 1 ATOM 155 N ND1 . HIS A 1 22 ? 14.149 1.628 -6.994 1.00 64.39 22 A 1 ATOM 156 C CD2 . HIS A 1 22 ? 14.681 -0.479 -6.917 1.00 62.82 22 A 1 ATOM 157 C CE1 . HIS A 1 22 ? 14.783 1.326 -8.126 1.00 58.79 22 A 1 ATOM 158 N NE2 . HIS A 1 22 ? 15.117 0.052 -8.112 1.00 59.90 22 A 1 ATOM 159 N N . SER A 1 23 ? 16.318 2.234 -3.963 1.00 83.93 23 A 1 ATOM 160 C CA . SER A 1 23 ? 16.994 3.517 -4.100 1.00 81.54 23 A 1 ATOM 161 C C . SER A 1 23 ? 17.706 3.597 -5.449 1.00 77.26 23 A 1 ATOM 162 O O . SER A 1 23 ? 17.513 4.576 -6.180 1.00 70.40 23 A 1 ATOM 163 C CB . SER A 1 23 ? 17.997 3.718 -2.963 1.00 74.02 23 A 1 ATOM 164 O OG . SER A 1 23 ? 17.341 3.763 -1.715 1.00 67.70 23 A 1 ATOM 165 O OXT . SER A 1 23 ? 18.474 2.675 -5.773 1.00 66.81 23 A 1 #