# 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_spkb37851 # _entry.id spkb37851 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 LEU 2 1 n LYS 3 1 n LYS 4 1 n LEU 5 1 n LEU 6 1 n SER 7 1 n CYS 8 1 n CYS 9 1 n ILE 10 1 n THR 11 1 n SER 12 1 n ALA 13 1 n LEU 14 1 n CYS 15 1 n PHE 16 1 n HIS 17 1 n SER 18 1 n SER 19 1 n LEU 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 @ 2025-07-07 08:37:53)" _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 83.74 _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 79.14 1 1 A LEU 2 2 80.84 1 2 A LYS 3 2 81.51 1 3 A LYS 4 2 81.94 1 4 A LEU 5 2 77.56 1 5 A LEU 6 2 82.60 1 6 A SER 7 2 86.97 1 7 A CYS 8 2 85.96 1 8 A CYS 9 2 86.11 1 9 A ILE 10 2 88.41 1 10 A THR 11 2 88.61 1 11 A SER 12 2 89.17 1 12 A ALA 13 2 90.97 1 13 A LEU 14 2 87.18 1 14 A CYS 15 2 86.68 1 15 A PHE 16 2 85.56 1 16 A HIS 17 2 83.35 1 17 A SER 18 2 86.10 1 18 A SER 19 2 84.69 1 19 A LEU 20 2 76.15 1 20 A ALA 21 2 75.00 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 LEU . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 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 ? -13.759 -0.059 8.800 1.00 83.39 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.136 -0.877 7.733 1.00 86.03 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.608 -0.757 7.797 1.00 87.22 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.014 0.003 7.036 1.00 84.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.650 -0.441 6.357 1.00 81.16 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.136 -0.721 6.182 1.00 76.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.717 -0.300 4.528 1.00 71.05 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.448 -0.694 4.680 1.00 63.29 1 A 1 ATOM 9 N N . LEU A 1 2 ? -10.993 -1.489 8.702 1.00 81.46 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -9.546 -1.404 8.940 1.00 84.37 2 A 1 ATOM 11 C C . LEU A 1 2 ? -8.718 -1.861 7.733 1.00 87.81 2 A 1 ATOM 12 O O . LEU A 1 2 ? -7.639 -1.318 7.493 1.00 84.97 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -9.178 -2.234 10.176 1.00 81.58 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -8.740 -1.387 11.367 1.00 76.99 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -9.961 -0.827 12.114 1.00 74.93 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -7.905 -2.217 12.330 1.00 74.62 2 A 1 ATOM 17 N N . LYS A 1 3 ? -9.234 -2.842 6.951 1.00 87.09 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -8.523 -3.346 5.767 1.00 89.47 3 A 1 ATOM 19 C C . LYS A 1 3 ? -8.250 -2.252 4.738 1.00 89.73 3 A 1 ATOM 20 O O . LYS A 1 3 ? -7.189 -2.249 4.112 1.00 87.60 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -9.307 -4.492 5.110 1.00 87.21 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -9.080 -5.841 5.785 1.00 79.83 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -9.675 -6.970 4.947 1.00 78.50 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -9.523 -8.334 5.609 1.00 70.68 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -8.189 -8.948 5.383 1.00 63.50 3 A 1 ATOM 26 N N . LYS A 1 4 ? -9.181 -1.320 4.579 1.00 86.65 4 A 1 ATOM 27 C CA . LYS A 1 4 ? -9.023 -0.211 3.635 1.00 89.22 4 A 1 ATOM 28 C C . LYS A 1 4 ? -7.893 0.720 4.076 1.00 90.18 4 A 1 ATOM 29 O O . LYS A 1 4 ? -7.076 1.130 3.252 1.00 88.60 4 A 1 ATOM 30 C CB . LYS A 1 4 ? -10.357 0.532 3.496 1.00 88.75 4 A 1 ATOM 31 C CG . LYS A 1 4 ? -10.434 1.428 2.255 1.00 81.15 4 A 1 ATOM 32 C CD . LYS A 1 4 ? -10.607 0.631 0.963 1.00 78.60 4 A 1 ATOM 33 C CE . LYS A 1 4 ? -10.828 1.557 -0.227 1.00 70.84 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? -11.052 0.823 -1.496 1.00 63.50 4 A 1 ATOM 35 N N . LEU A 1 5 ? -7.828 1.007 5.372 1.00 78.16 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -6.758 1.816 5.953 1.00 79.07 5 A 1 ATOM 37 C C . LEU A 1 5 ? -5.408 1.113 5.833 1.00 83.13 5 A 1 ATOM 38 O O . LEU A 1 5 ? -4.419 1.747 5.460 1.00 81.59 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -7.080 2.109 7.425 1.00 79.63 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -8.206 3.123 7.625 1.00 73.87 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -8.666 3.115 9.076 1.00 71.42 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -7.741 4.533 7.267 1.00 73.64 5 A 1 ATOM 43 N N . LEU A 1 6 ? -5.391 -0.191 6.100 1.00 85.70 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -4.172 -0.990 5.981 1.00 86.16 6 A 1 ATOM 45 C C . LEU A 1 6 ? -3.667 -1.011 4.536 1.00 87.98 6 A 1 ATOM 46 O O . LEU A 1 6 ? -2.481 -0.787 4.297 1.00 86.95 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -4.447 -2.406 6.504 1.00 86.51 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -3.191 -3.276 6.617 1.00 78.18 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -2.250 -2.768 7.708 1.00 73.94 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -3.581 -4.715 6.939 1.00 75.40 6 A 1 ATOM 51 N N . SER A 1 7 ? -4.562 -1.226 3.572 1.00 89.48 7 A 1 ATOM 52 C CA . SER A 1 7 ? -4.214 -1.200 2.147 1.00 89.42 7 A 1 ATOM 53 C C . SER A 1 7 ? -3.706 0.177 1.719 1.00 89.43 7 A 1 ATOM 54 O O . SER A 1 7 ? -2.717 0.271 0.995 1.00 87.85 7 A 1 ATOM 55 C CB . SER A 1 7 ? -5.417 -1.588 1.288 1.00 88.66 7 A 1 ATOM 56 O OG . SER A 1 7 ? -5.812 -2.917 1.550 1.00 76.99 7 A 1 ATOM 57 N N . CYS A 1 8 ? -4.344 1.226 2.196 1.00 87.84 8 A 1 ATOM 58 C CA . CYS A 1 8 ? -3.907 2.591 1.925 1.00 87.89 8 A 1 ATOM 59 C C . CYS A 1 8 ? -2.510 2.852 2.503 1.00 89.66 8 A 1 ATOM 60 O O . CYS A 1 8 ? -1.659 3.426 1.827 1.00 87.07 8 A 1 ATOM 61 C CB . CYS A 1 8 ? -4.941 3.571 2.492 1.00 85.40 8 A 1 ATOM 62 S SG . CYS A 1 8 ? -4.543 5.264 2.029 1.00 77.91 8 A 1 ATOM 63 N N . CYS A 1 9 ? -2.274 2.381 3.722 1.00 85.17 9 A 1 ATOM 64 C CA . CYS A 1 9 ? -0.980 2.516 4.381 1.00 87.00 9 A 1 ATOM 65 C C . CYS A 1 9 ? 0.124 1.783 3.610 1.00 88.81 9 A 1 ATOM 66 O O . CYS A 1 9 ? 1.187 2.351 3.362 1.00 87.93 9 A 1 ATOM 67 C CB . CYS A 1 9 ? -1.096 2.003 5.822 1.00 85.78 9 A 1 ATOM 68 S SG . CYS A 1 9 ? 0.419 2.333 6.743 1.00 81.94 9 A 1 ATOM 69 N N . ILE A 1 10 ? -0.148 0.547 3.185 1.00 87.27 10 A 1 ATOM 70 C CA . ILE A 1 10 ? 0.798 -0.257 2.405 1.00 88.99 10 A 1 ATOM 71 C C . ILE A 1 10 ? 1.090 0.412 1.060 1.00 90.07 10 A 1 ATOM 72 O O . ILE A 1 10 ? 2.250 0.557 0.674 1.00 88.67 10 A 1 ATOM 73 C CB . ILE A 1 10 ? 0.264 -1.695 2.221 1.00 90.33 10 A 1 ATOM 74 C CG1 . ILE A 1 10 ? 0.212 -2.426 3.577 1.00 89.07 10 A 1 ATOM 75 C CG2 . ILE A 1 10 ? 1.146 -2.490 1.246 1.00 88.00 10 A 1 ATOM 76 C CD1 . ILE A 1 10 ? -0.623 -3.699 3.552 1.00 84.91 10 A 1 ATOM 77 N N . THR A 1 11 ? 0.053 0.847 0.364 1.00 90.56 11 A 1 ATOM 78 C CA . THR A 1 11 ? 0.203 1.522 -0.930 1.00 90.33 11 A 1 ATOM 79 C C . THR A 1 11 ? 0.974 2.831 -0.779 1.00 90.97 11 A 1 ATOM 80 O O . THR A 1 11 ? 1.855 3.125 -1.588 1.00 89.09 11 A 1 ATOM 81 C CB . THR A 1 11 ? -1.169 1.786 -1.566 1.00 89.79 11 A 1 ATOM 82 O OG1 . THR A 1 11 ? -1.888 0.574 -1.696 1.00 85.25 11 A 1 ATOM 83 C CG2 . THR A 1 11 ? -1.035 2.373 -2.971 1.00 84.28 11 A 1 ATOM 84 N N . SER A 1 12 ? 0.695 3.587 0.263 1.00 92.00 12 A 1 ATOM 85 C CA . SER A 1 12 ? 1.419 4.821 0.560 1.00 91.25 12 A 1 ATOM 86 C C . SER A 1 12 ? 2.882 4.540 0.897 1.00 91.67 12 A 1 ATOM 87 O O . SER A 1 12 ? 3.759 5.260 0.432 1.00 90.42 12 A 1 ATOM 88 C CB . SER A 1 12 ? 0.758 5.577 1.709 1.00 89.90 12 A 1 ATOM 89 O OG . SER A 1 12 ? -0.533 6.001 1.345 1.00 79.79 12 A 1 ATOM 90 N N . ALA A 1 13 ? 3.140 3.477 1.656 1.00 90.23 13 A 1 ATOM 91 C CA . ALA A 1 13 ? 4.505 3.078 1.990 1.00 90.92 13 A 1 ATOM 92 C C . ALA A 1 13 ? 5.294 2.675 0.737 1.00 92.39 13 A 1 ATOM 93 O O . ALA A 1 13 ? 6.442 3.088 0.573 1.00 90.77 13 A 1 ATOM 94 C CB . ALA A 1 13 ? 4.464 1.943 3.010 1.00 90.56 13 A 1 ATOM 95 N N . LEU A 1 14 ? 4.674 1.922 -0.174 1.00 89.57 14 A 1 ATOM 96 C CA . LEU A 1 14 ? 5.293 1.535 -1.443 1.00 90.04 14 A 1 ATOM 97 C C . LEU A 1 14 ? 5.540 2.751 -2.335 1.00 91.76 14 A 1 ATOM 98 O O . LEU A 1 14 ? 6.624 2.893 -2.904 1.00 90.14 14 A 1 ATOM 99 C CB . LEU A 1 14 ? 4.399 0.515 -2.160 1.00 89.75 14 A 1 ATOM 100 C CG . LEU A 1 14 ? 4.360 -0.863 -1.498 1.00 84.71 14 A 1 ATOM 101 C CD1 . LEU A 1 14 ? 3.249 -1.706 -2.121 1.00 80.34 14 A 1 ATOM 102 C CD2 . LEU A 1 14 ? 5.686 -1.599 -1.667 1.00 81.15 14 A 1 ATOM 103 N N . CYS A 1 15 ? 4.576 3.642 -2.433 1.00 87.86 15 A 1 ATOM 104 C CA . CYS A 1 15 ? 4.708 4.876 -3.205 1.00 88.11 15 A 1 ATOM 105 C C . CYS A 1 15 ? 5.816 5.766 -2.636 1.00 89.43 15 A 1 ATOM 106 O O . CYS A 1 15 ? 6.648 6.285 -3.378 1.00 87.97 15 A 1 ATOM 107 C CB . CYS A 1 15 ? 3.358 5.602 -3.219 1.00 86.11 15 A 1 ATOM 108 S SG . CYS A 1 15 ? 3.412 7.059 -4.294 1.00 80.61 15 A 1 ATOM 109 N N . PHE A 1 16 ? 5.847 5.893 -1.325 1.00 86.32 16 A 1 ATOM 110 C CA . PHE A 1 16 ? 6.867 6.670 -0.636 1.00 88.26 16 A 1 ATOM 111 C C . PHE A 1 16 ? 8.252 6.052 -0.827 1.00 90.51 16 A 1 ATOM 112 O O . PHE A 1 16 ? 9.210 6.768 -1.111 1.00 89.83 16 A 1 ATOM 113 C CB . PHE A 1 16 ? 6.508 6.778 0.848 1.00 88.49 16 A 1 ATOM 114 C CG . PHE A 1 16 ? 7.329 7.817 1.568 1.00 85.67 16 A 1 ATOM 115 C CD1 . PHE A 1 16 ? 6.945 9.160 1.534 1.00 83.73 16 A 1 ATOM 116 C CD2 . PHE A 1 16 ? 8.486 7.457 2.259 1.00 83.33 16 A 1 ATOM 117 C CE1 . PHE A 1 16 ? 7.707 10.132 2.179 1.00 81.36 16 A 1 ATOM 118 C CE2 . PHE A 1 16 ? 9.261 8.431 2.908 1.00 81.73 16 A 1 ATOM 119 C CZ . PHE A 1 16 ? 8.862 9.766 2.863 1.00 81.90 16 A 1 ATOM 120 N N . HIS A 1 17 ? 8.336 4.731 -0.736 1.00 90.21 17 A 1 ATOM 121 C CA . HIS A 1 17 ? 9.593 4.023 -0.964 1.00 90.44 17 A 1 ATOM 122 C C . HIS A 1 17 ? 10.097 4.219 -2.397 1.00 91.30 17 A 1 ATOM 123 O O . HIS A 1 17 ? 11.280 4.477 -2.602 1.00 90.34 17 A 1 ATOM 124 C CB . HIS A 1 17 ? 9.414 2.541 -0.639 1.00 90.44 17 A 1 ATOM 125 C CG . HIS A 1 17 ? 10.720 1.815 -0.551 1.00 82.75 17 A 1 ATOM 126 N ND1 . HIS A 1 17 ? 11.390 1.247 -1.608 1.00 72.85 17 A 1 ATOM 127 C CD2 . HIS A 1 17 ? 11.484 1.589 0.557 1.00 75.46 17 A 1 ATOM 128 C CE1 . HIS A 1 17 ? 12.525 0.708 -1.135 1.00 73.99 17 A 1 ATOM 129 N NE2 . HIS A 1 17 ? 12.611 0.892 0.163 1.00 75.71 17 A 1 ATOM 130 N N . SER A 1 18 ? 9.199 4.156 -3.383 1.00 88.85 18 A 1 ATOM 131 C CA . SER A 1 18 ? 9.551 4.419 -4.781 1.00 87.79 18 A 1 ATOM 132 C C . SER A 1 18 ? 9.949 5.875 -5.022 1.00 87.73 18 A 1 ATOM 133 O O . SER A 1 18 ? 10.784 6.144 -5.882 1.00 85.82 18 A 1 ATOM 134 C CB . SER A 1 18 ? 8.385 4.061 -5.701 1.00 87.66 18 A 1 ATOM 135 O OG . SER A 1 18 ? 8.247 2.662 -5.797 1.00 78.77 18 A 1 ATOM 136 N N . SER A 1 19 ? 9.364 6.797 -4.285 1.00 87.79 19 A 1 ATOM 137 C CA . SER A 1 19 ? 9.707 8.222 -4.397 1.00 86.60 19 A 1 ATOM 138 C C . SER A 1 19 ? 11.011 8.561 -3.670 1.00 86.38 19 A 1 ATOM 139 O O . SER A 1 19 ? 11.705 9.499 -4.056 1.00 84.82 19 A 1 ATOM 140 C CB . SER A 1 19 ? 8.577 9.089 -3.841 1.00 85.79 19 A 1 ATOM 141 O OG . SER A 1 19 ? 7.383 8.885 -4.567 1.00 76.73 19 A 1 ATOM 142 N N . LEU A 1 20 ? 11.310 7.804 -2.618 1.00 81.04 20 A 1 ATOM 143 C CA . LEU A 1 20 ? 12.527 7.987 -1.828 1.00 80.68 20 A 1 ATOM 144 C C . LEU A 1 20 ? 13.736 7.314 -2.481 1.00 81.46 20 A 1 ATOM 145 O O . LEU A 1 20 ? 14.864 7.789 -2.329 1.00 78.43 20 A 1 ATOM 146 C CB . LEU A 1 20 ? 12.280 7.438 -0.414 1.00 78.05 20 A 1 ATOM 147 C CG . LEU A 1 20 ? 13.348 7.824 0.609 1.00 72.64 20 A 1 ATOM 148 C CD1 . LEU A 1 20 ? 13.253 9.304 0.978 1.00 68.74 20 A 1 ATOM 149 C CD2 . LEU A 1 20 ? 13.180 6.988 1.877 1.00 68.16 20 A 1 ATOM 150 N N . ALA A 1 21 ? 13.500 6.219 -3.188 1.00 80.63 21 A 1 ATOM 151 C CA . ALA A 1 21 ? 14.529 5.456 -3.875 1.00 79.89 21 A 1 ATOM 152 C C . ALA A 1 21 ? 14.655 5.852 -5.353 1.00 77.57 21 A 1 ATOM 153 O O . ALA A 1 21 ? 13.638 6.246 -5.964 1.00 72.53 21 A 1 ATOM 154 C CB . ALA A 1 21 ? 14.243 3.960 -3.714 1.00 73.05 21 A 1 ATOM 155 O OXT . ALA A 1 21 ? 15.767 5.742 -5.914 1.00 66.31 21 A 1 #