# 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_spkb16869 # _entry.id spkb16869 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 ASN 2 1 n HIS 3 1 n LYS 4 1 n PHE 5 1 n ILE 6 1 n ALA 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n VAL 11 1 n VAL 12 1 n LEU 13 1 n CYS 14 1 n CYS 15 1 n ALA 16 1 n LEU 17 1 n SER 18 1 n VAL 19 1 n HIS 20 1 n GLN 21 1 n VAL 22 1 n SER 23 1 n ALA 24 # _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 @ 2025-07-09 22:17:45)" _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 89.71 _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 78.38 1 1 A ASN 2 2 85.90 1 2 A HIS 3 2 85.65 1 3 A LYS 4 2 86.84 1 4 A PHE 5 2 88.63 1 5 A ILE 6 2 89.91 1 6 A ALA 7 2 96.26 1 7 A LEU 8 2 92.01 1 8 A LEU 9 2 91.65 1 9 A LEU 10 2 91.77 1 10 A VAL 11 2 95.13 1 11 A VAL 12 2 95.30 1 12 A LEU 13 2 91.92 1 13 A CYS 14 2 93.82 1 14 A CYS 15 2 94.07 1 15 A ALA 16 2 96.24 1 16 A LEU 17 2 91.57 1 17 A SER 18 2 92.39 1 18 A VAL 19 2 93.24 1 19 A HIS 20 2 88.27 1 20 A GLN 21 2 85.31 1 21 A VAL 22 2 89.76 1 22 A SER 23 2 87.26 1 23 A ALA 24 2 81.13 1 24 # _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 ASN . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n HIS . 20 A 20 A 21 1 n GLN . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? -17.718 3.071 -4.090 1.00 85.80 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.848 1.915 -3.789 1.00 87.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.685 2.369 -2.907 1.00 88.46 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.561 2.518 -3.378 1.00 83.44 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.300 1.317 -5.092 1.00 80.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.424 0.817 -5.986 1.00 73.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.827 0.365 -7.626 1.00 67.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.367 -0.055 -8.418 1.00 59.70 1 A 1 ATOM 9 N N . ASN A 1 2 ? -15.986 2.602 -1.638 1.00 91.42 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -14.982 3.108 -0.707 1.00 92.66 2 A 1 ATOM 11 C C . ASN A 1 2 ? -13.965 2.033 -0.334 1.00 92.44 2 A 1 ATOM 12 O O . ASN A 1 2 ? -12.765 2.282 -0.300 1.00 91.04 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -15.685 3.628 0.544 1.00 89.43 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -16.809 4.582 0.189 1.00 80.60 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -16.600 5.555 -0.520 1.00 75.80 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -18.009 4.296 0.656 1.00 73.82 2 A 1 ATOM 17 N N . HIS A 1 3 ? -14.466 0.825 -0.058 1.00 93.37 3 A 1 ATOM 18 C CA . HIS A 1 3 ? -13.596 -0.282 0.331 1.00 94.11 3 A 1 ATOM 19 C C . HIS A 1 3 ? -12.605 -0.624 -0.778 1.00 94.23 3 A 1 ATOM 20 O O . HIS A 1 3 ? -11.480 -1.046 -0.509 1.00 92.52 3 A 1 ATOM 21 C CB . HIS A 1 3 ? -14.433 -1.516 0.698 1.00 92.07 3 A 1 ATOM 22 C CG . HIS A 1 3 ? -15.292 -2.024 -0.435 1.00 86.28 3 A 1 ATOM 23 N ND1 . HIS A 1 3 ? -14.891 -2.999 -1.311 1.00 74.46 3 A 1 ATOM 24 C CD2 . HIS A 1 3 ? -16.541 -1.665 -0.809 1.00 73.60 3 A 1 ATOM 25 C CE1 . HIS A 1 3 ? -15.874 -3.227 -2.186 1.00 76.87 3 A 1 ATOM 26 N NE2 . HIS A 1 3 ? -16.897 -2.427 -1.915 1.00 78.96 3 A 1 ATOM 27 N N . LYS A 1 4 ? -13.033 -0.444 -2.018 1.00 93.61 4 A 1 ATOM 28 C CA . LYS A 1 4 ? -12.167 -0.747 -3.158 1.00 94.19 4 A 1 ATOM 29 C C . LYS A 1 4 ? -10.964 0.195 -3.169 1.00 94.48 4 A 1 ATOM 30 O O . LYS A 1 4 ? -9.835 -0.229 -3.412 1.00 93.62 4 A 1 ATOM 31 C CB . LYS A 1 4 ? -12.967 -0.638 -4.460 1.00 93.66 4 A 1 ATOM 32 C CG . LYS A 1 4 ? -12.223 -1.252 -5.637 1.00 87.47 4 A 1 ATOM 33 C CD . LYS A 1 4 ? -13.144 -1.497 -6.822 1.00 81.75 4 A 1 ATOM 34 C CE . LYS A 1 4 ? -12.414 -2.249 -7.933 1.00 74.65 4 A 1 ATOM 35 N NZ . LYS A 1 4 ? -13.339 -2.635 -9.032 1.00 68.16 4 A 1 ATOM 36 N N . PHE A 1 5 ? -11.218 1.464 -2.889 1.00 90.50 5 A 1 ATOM 37 C CA . PHE A 1 5 ? -10.154 2.459 -2.835 1.00 91.73 5 A 1 ATOM 38 C C . PHE A 1 5 ? -9.186 2.141 -1.698 1.00 93.35 5 A 1 ATOM 39 O O . PHE A 1 5 ? -7.969 2.220 -1.864 1.00 93.34 5 A 1 ATOM 40 C CB . PHE A 1 5 ? -10.762 3.845 -2.646 1.00 91.71 5 A 1 ATOM 41 C CG . PHE A 1 5 ? -9.720 4.930 -2.679 1.00 89.51 5 A 1 ATOM 42 C CD1 . PHE A 1 5 ? -9.178 5.354 -3.886 1.00 85.59 5 A 1 ATOM 43 C CD2 . PHE A 1 5 ? -9.285 5.515 -1.500 1.00 85.67 5 A 1 ATOM 44 C CE1 . PHE A 1 5 ? -8.211 6.350 -3.918 1.00 84.45 5 A 1 ATOM 45 C CE2 . PHE A 1 5 ? -8.313 6.516 -1.525 1.00 84.99 5 A 1 ATOM 46 C CZ . PHE A 1 5 ? -7.778 6.931 -2.734 1.00 84.06 5 A 1 ATOM 47 N N . ILE A 1 6 ? -9.744 1.767 -0.558 1.00 92.84 6 A 1 ATOM 48 C CA . ILE A 1 6 ? -8.932 1.416 0.605 1.00 92.58 6 A 1 ATOM 49 C C . ILE A 1 6 ? -8.075 0.193 0.301 1.00 93.89 6 A 1 ATOM 50 O O . ILE A 1 6 ? -6.902 0.134 0.678 1.00 94.38 6 A 1 ATOM 51 C CB . ILE A 1 6 ? -9.827 1.147 1.822 1.00 92.81 6 A 1 ATOM 52 C CG1 . ILE A 1 6 ? -10.573 2.421 2.215 1.00 87.98 6 A 1 ATOM 53 C CG2 . ILE A 1 6 ? -8.986 0.642 2.992 1.00 86.63 6 A 1 ATOM 54 C CD1 . ILE A 1 6 ? -11.666 2.181 3.239 1.00 78.21 6 A 1 ATOM 55 N N . ALA A 1 7 ? -8.675 -0.783 -0.374 1.00 96.03 7 A 1 ATOM 56 C CA . ALA A 1 7 ? -7.954 -1.998 -0.738 1.00 96.28 7 A 1 ATOM 57 C C . ALA A 1 7 ? -6.763 -1.669 -1.633 1.00 96.85 7 A 1 ATOM 58 O O . ALA A 1 7 ? -5.666 -2.199 -1.444 1.00 96.32 7 A 1 ATOM 59 C CB . ALA A 1 7 ? -8.900 -2.966 -1.453 1.00 95.80 7 A 1 ATOM 60 N N . LEU A 1 8 ? -6.992 -0.788 -2.593 1.00 95.02 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -5.925 -0.370 -3.499 1.00 94.83 8 A 1 ATOM 62 C C . LEU A 1 8 ? -4.818 0.336 -2.724 1.00 95.59 8 A 1 ATOM 63 O O . LEU A 1 8 ? -3.630 0.084 -2.944 1.00 95.59 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -6.495 0.559 -4.574 1.00 94.81 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -5.497 0.895 -5.687 1.00 88.62 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -5.218 -0.326 -6.554 1.00 85.20 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -6.026 2.031 -6.550 1.00 86.41 8 A 1 ATOM 68 N N . LEU A 1 9 ? -5.213 1.202 -1.811 1.00 94.64 9 A 1 ATOM 69 C CA . LEU A 1 9 ? -4.259 1.935 -0.985 1.00 95.00 9 A 1 ATOM 70 C C . LEU A 1 9 ? -3.438 0.973 -0.134 1.00 95.87 9 A 1 ATOM 71 O O . LEU A 1 9 ? -2.229 1.154 0.034 1.00 96.23 9 A 1 ATOM 72 C CB . LEU A 1 9 ? -5.014 2.918 -0.091 1.00 94.82 9 A 1 ATOM 73 C CG . LEU A 1 9 ? -4.098 3.875 0.669 1.00 86.68 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? -3.431 4.861 -0.288 1.00 84.32 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? -4.888 4.635 1.725 1.00 85.62 9 A 1 ATOM 76 N N . LEU A 1 10 ? -4.097 -0.042 0.392 1.00 95.91 10 A 1 ATOM 77 C CA . LEU A 1 10 ? -3.430 -1.048 1.214 1.00 95.94 10 A 1 ATOM 78 C C . LEU A 1 10 ? -2.371 -1.786 0.406 1.00 96.47 10 A 1 ATOM 79 O O . LEU A 1 10 ? -1.265 -2.034 0.891 1.00 96.38 10 A 1 ATOM 80 C CB . LEU A 1 10 ? -4.463 -2.040 1.754 1.00 95.43 10 A 1 ATOM 81 C CG . LEU A 1 10 ? -3.894 -3.024 2.778 1.00 86.22 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -3.574 -2.308 4.083 1.00 83.09 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? -4.879 -4.154 3.033 1.00 84.74 10 A 1 ATOM 84 N N . VAL A 1 11 ? -2.717 -2.143 -0.827 1.00 96.76 11 A 1 ATOM 85 C CA . VAL A 1 11 ? -1.783 -2.841 -1.710 1.00 96.52 11 A 1 ATOM 86 C C . VAL A 1 11 ? -0.568 -1.967 -1.993 1.00 96.87 11 A 1 ATOM 87 O O . VAL A 1 11 ? 0.574 -2.438 -1.953 1.00 96.06 11 A 1 ATOM 88 C CB . VAL A 1 11 ? -2.470 -3.239 -3.029 1.00 95.75 11 A 1 ATOM 89 C CG1 . VAL A 1 11 ? -1.460 -3.826 -4.016 1.00 91.93 11 A 1 ATOM 90 C CG2 . VAL A 1 11 ? -3.579 -4.252 -2.766 1.00 92.02 11 A 1 ATOM 91 N N . VAL A 1 12 ? -0.821 -0.703 -2.279 1.00 96.91 12 A 1 ATOM 92 C CA . VAL A 1 12 ? 0.265 0.237 -2.559 1.00 96.73 12 A 1 ATOM 93 C C . VAL A 1 12 ? 1.172 0.374 -1.344 1.00 96.76 12 A 1 ATOM 94 O O . VAL A 1 12 ? 2.402 0.365 -1.467 1.00 95.95 12 A 1 ATOM 95 C CB . VAL A 1 12 ? -0.295 1.614 -2.958 1.00 96.15 12 A 1 ATOM 96 C CG1 . VAL A 1 12 ? 0.832 2.632 -3.111 1.00 92.31 12 A 1 ATOM 97 C CG2 . VAL A 1 12 ? -1.071 1.507 -4.267 1.00 92.31 12 A 1 ATOM 98 N N . LEU A 1 13 ? 0.565 0.490 -0.177 1.00 96.33 13 A 1 ATOM 99 C CA . LEU A 1 13 ? 1.321 0.623 1.065 1.00 96.10 13 A 1 ATOM 100 C C . LEU A 1 13 ? 2.157 -0.626 1.317 1.00 96.17 13 A 1 ATOM 101 O O . LEU A 1 13 ? 3.331 -0.537 1.685 1.00 95.76 13 A 1 ATOM 102 C CB . LEU A 1 13 ? 0.359 0.857 2.231 1.00 95.74 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 1.056 1.214 3.548 1.00 87.53 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? 1.729 2.580 3.451 1.00 82.99 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 0.056 1.211 4.694 1.00 84.78 13 A 1 ATOM 106 N N . CYS A 1 14 ? 1.556 -1.780 1.104 1.00 95.67 14 A 1 ATOM 107 C CA . CYS A 1 14 ? 2.252 -3.048 1.293 1.00 95.58 14 A 1 ATOM 108 C C . CYS A 1 14 ? 3.423 -3.164 0.321 1.00 95.73 14 A 1 ATOM 109 O O . CYS A 1 14 ? 4.509 -3.616 0.687 1.00 94.43 14 A 1 ATOM 110 C CB . CYS A 1 14 ? 1.278 -4.210 1.091 1.00 94.74 14 A 1 ATOM 111 S SG . CYS A 1 14 ? 2.041 -5.794 1.486 1.00 86.79 14 A 1 ATOM 112 N N . CYS A 1 15 ? 3.198 -2.747 -0.911 1.00 95.89 15 A 1 ATOM 113 C CA . CYS A 1 15 ? 4.239 -2.786 -1.931 1.00 95.68 15 A 1 ATOM 114 C C . CYS A 1 15 ? 5.406 -1.886 -1.539 1.00 95.89 15 A 1 ATOM 115 O O . CYS A 1 15 ? 6.570 -2.283 -1.636 1.00 94.27 15 A 1 ATOM 116 C CB . CYS A 1 15 ? 3.659 -2.349 -3.280 1.00 94.74 15 A 1 ATOM 117 S SG . CYS A 1 15 ? 4.861 -2.506 -4.615 1.00 87.98 15 A 1 ATOM 118 N N . ALA A 1 16 ? 5.088 -0.688 -1.086 1.00 96.73 16 A 1 ATOM 119 C CA . ALA A 1 16 ? 6.115 0.256 -0.657 1.00 96.45 16 A 1 ATOM 120 C C . ALA A 1 16 ? 6.913 -0.310 0.515 1.00 96.59 16 A 1 ATOM 121 O O . ALA A 1 16 ? 8.139 -0.190 0.554 1.00 95.46 16 A 1 ATOM 122 C CB . ALA A 1 16 ? 5.462 1.579 -0.268 1.00 95.99 16 A 1 ATOM 123 N N . LEU A 1 17 ? 6.215 -0.928 1.447 1.00 96.51 17 A 1 ATOM 124 C CA . LEU A 1 17 ? 6.857 -1.531 2.612 1.00 95.88 17 A 1 ATOM 125 C C . LEU A 1 17 ? 7.780 -2.664 2.177 1.00 96.27 17 A 1 ATOM 126 O O . LEU A 1 17 ? 8.891 -2.812 2.688 1.00 95.53 17 A 1 ATOM 127 C CB . LEU A 1 17 ? 5.779 -2.047 3.578 1.00 95.42 17 A 1 ATOM 128 C CG . LEU A 1 17 ? 6.212 -2.162 5.041 1.00 87.73 17 A 1 ATOM 129 C CD1 . LEU A 1 17 ? 7.217 -3.276 5.247 1.00 81.75 17 A 1 ATOM 130 C CD2 . LEU A 1 17 ? 6.762 -0.842 5.546 1.00 83.44 17 A 1 ATOM 131 N N . SER A 1 18 ? 7.314 -3.455 1.219 1.00 95.60 18 A 1 ATOM 132 C CA . SER A 1 18 ? 8.102 -4.568 0.699 1.00 95.27 18 A 1 ATOM 133 C C . SER A 1 18 ? 9.384 -4.065 0.046 1.00 95.40 18 A 1 ATOM 134 O O . SER A 1 18 ? 10.464 -4.612 0.271 1.00 93.85 18 A 1 ATOM 135 C CB . SER A 1 18 ? 7.279 -5.366 -0.311 1.00 93.72 18 A 1 ATOM 136 O OG . SER A 1 18 ? 8.006 -6.492 -0.746 1.00 80.51 18 A 1 ATOM 137 N N . VAL A 1 19 ? 9.264 -3.017 -0.756 1.00 96.60 19 A 1 ATOM 138 C CA . VAL A 1 19 ? 10.428 -2.431 -1.422 1.00 96.07 19 A 1 ATOM 139 C C . VAL A 1 19 ? 11.422 -1.917 -0.389 1.00 95.82 19 A 1 ATOM 140 O O . VAL A 1 19 ? 12.634 -2.120 -0.515 1.00 94.26 19 A 1 ATOM 141 C CB . VAL A 1 19 ? 10.007 -1.288 -2.360 1.00 94.71 19 A 1 ATOM 142 C CG1 . VAL A 1 19 ? 11.233 -0.592 -2.941 1.00 87.64 19 A 1 ATOM 143 C CG2 . VAL A 1 19 ? 9.134 -1.823 -3.485 1.00 87.59 19 A 1 ATOM 144 N N . HIS A 1 20 ? 10.897 -1.263 0.627 1.00 96.34 20 A 1 ATOM 145 C CA . HIS A 1 20 ? 11.741 -0.736 1.699 1.00 96.27 20 A 1 ATOM 146 C C . HIS A 1 20 ? 12.451 -1.873 2.430 1.00 96.32 20 A 1 ATOM 147 O O . HIS A 1 20 ? 13.631 -1.770 2.764 1.00 94.86 20 A 1 ATOM 148 C CB . HIS A 1 20 ? 10.893 0.071 2.684 1.00 95.31 20 A 1 ATOM 149 C CG . HIS A 1 20 ? 11.693 0.590 3.845 1.00 90.41 20 A 1 ATOM 150 N ND1 . HIS A 1 20 ? 11.608 0.077 5.111 1.00 74.67 20 A 1 ATOM 151 C CD2 . HIS A 1 20 ? 12.610 1.582 3.889 1.00 77.28 20 A 1 ATOM 152 C CE1 . HIS A 1 20 ? 12.444 0.748 5.897 1.00 78.93 20 A 1 ATOM 153 N NE2 . HIS A 1 20 ? 13.065 1.671 5.189 1.00 82.34 20 A 1 ATOM 154 N N . GLN A 1 21 ? 11.728 -2.948 2.672 1.00 95.04 21 A 1 ATOM 155 C CA . GLN A 1 21 ? 12.288 -4.107 3.357 1.00 94.84 21 A 1 ATOM 156 C C . GLN A 1 21 ? 13.415 -4.729 2.544 1.00 94.38 21 A 1 ATOM 157 O O . GLN A 1 21 ? 14.445 -5.121 3.091 1.00 91.47 21 A 1 ATOM 158 C CB . GLN A 1 21 ? 11.194 -5.144 3.595 1.00 93.28 21 A 1 ATOM 159 C CG . GLN A 1 21 ? 11.647 -6.271 4.493 1.00 83.83 21 A 1 ATOM 160 C CD . GLN A 1 21 ? 11.364 -7.629 3.890 1.00 75.84 21 A 1 ATOM 161 O OE1 . GLN A 1 21 ? 12.204 -8.224 3.239 1.00 71.08 21 A 1 ATOM 162 N NE2 . GLN A 1 21 ? 10.161 -8.140 4.094 1.00 68.00 21 A 1 ATOM 163 N N . VAL A 1 22 ? 13.214 -4.823 1.232 1.00 94.21 22 A 1 ATOM 164 C CA . VAL A 1 22 ? 14.235 -5.388 0.350 1.00 93.58 22 A 1 ATOM 165 C C . VAL A 1 22 ? 15.456 -4.483 0.289 1.00 93.56 22 A 1 ATOM 166 O O . VAL A 1 22 ? 16.595 -4.961 0.254 1.00 91.03 22 A 1 ATOM 167 C CB . VAL A 1 22 ? 13.671 -5.604 -1.062 1.00 91.05 22 A 1 ATOM 168 C CG1 . VAL A 1 22 ? 14.768 -6.077 -2.008 1.00 82.19 22 A 1 ATOM 169 C CG2 . VAL A 1 22 ? 12.540 -6.614 -1.030 1.00 82.68 22 A 1 ATOM 170 N N . SER A 1 23 ? 15.211 -3.188 0.259 1.00 92.59 23 A 1 ATOM 171 C CA . SER A 1 23 ? 16.293 -2.207 0.194 1.00 91.54 23 A 1 ATOM 172 C C . SER A 1 23 ? 17.059 -2.130 1.511 1.00 89.62 23 A 1 ATOM 173 O O . SER A 1 23 ? 18.282 -1.980 1.521 1.00 86.72 23 A 1 ATOM 174 C CB . SER A 1 23 ? 15.734 -0.830 -0.154 1.00 89.27 23 A 1 ATOM 175 O OG . SER A 1 23 ? 16.787 0.106 -0.280 1.00 73.83 23 A 1 ATOM 176 N N . ALA A 1 24 ? 16.340 -2.220 2.622 1.00 88.88 24 A 1 ATOM 177 C CA . ALA A 1 24 ? 16.931 -2.116 3.946 1.00 87.27 24 A 1 ATOM 178 C C . ALA A 1 24 ? 17.612 -3.413 4.378 1.00 82.71 24 A 1 ATOM 179 O O . ALA A 1 24 ? 17.097 -4.497 4.073 1.00 77.58 24 A 1 ATOM 180 C CB . ALA A 1 24 ? 15.865 -1.718 4.963 1.00 81.04 24 A 1 ATOM 181 O OXT . ALA A 1 24 ? 18.640 -3.329 5.075 1.00 69.33 24 A 1 #