# 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_spkb15856 # _entry.id spkb15856 # 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 "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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([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 ILE 2 1 n PHE 3 1 n HIS 4 1 n GLN 5 1 n PHE 6 1 n TYR 7 1 n SER 8 1 n ILE 9 1 n LEU 10 1 n ILE 11 1 n LEU 12 1 n CYS 13 1 n LEU 14 1 n ILE 15 1 n PHE 16 1 n PRO 17 1 n ASN 18 1 n GLN 19 1 n VAL 20 1 n VAL 21 1 n GLN 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 @ 2025-07-07 01:27:29)" _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 84.82 _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 84.83 1 1 A ILE 2 2 87.07 1 2 A PHE 3 2 86.72 1 3 A HIS 4 2 83.62 1 4 A GLN 5 2 83.57 1 5 A PHE 6 2 87.73 1 6 A TYR 7 2 89.26 1 7 A SER 8 2 88.52 1 8 A ILE 9 2 88.43 1 9 A LEU 10 2 88.69 1 10 A ILE 11 2 90.09 1 11 A LEU 12 2 87.66 1 12 A CYS 13 2 89.58 1 13 A LEU 14 2 90.10 1 14 A ILE 15 2 90.68 1 15 A PHE 16 2 88.25 1 16 A PRO 17 2 89.34 1 17 A ASN 18 2 80.95 1 18 A GLN 19 2 78.77 1 19 A VAL 20 2 78.55 1 20 A VAL 21 2 73.75 1 21 A GLN 22 2 70.16 1 22 A SER 23 2 71.08 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 ILE . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n GLN . 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 ? -9.922 5.147 14.424 1.00 89.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.640 5.674 13.079 1.00 91.98 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.178 5.481 12.694 1.00 92.19 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.790 5.784 11.572 1.00 89.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.985 7.169 13.014 1.00 88.68 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.477 7.421 13.154 1.00 82.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.896 9.161 12.998 1.00 75.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.683 9.079 13.094 1.00 69.32 1 A 1 ATOM 9 N N . ILE A 1 2 ? -7.395 4.996 13.610 1.00 90.34 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -5.976 4.778 13.342 1.00 91.38 2 A 1 ATOM 11 C C . ILE A 1 2 ? -5.784 3.765 12.216 1.00 91.75 2 A 1 ATOM 12 O O . ILE A 1 2 ? -4.814 3.837 11.461 1.00 91.59 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -5.259 4.322 14.622 1.00 90.13 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -3.747 4.332 14.402 1.00 84.19 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -5.745 2.936 15.045 1.00 80.90 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -2.968 4.190 15.689 1.00 76.32 2 A 1 ATOM 17 N N . PHE A 1 3 ? -6.733 2.840 12.076 1.00 91.76 3 A 1 ATOM 18 C CA . PHE A 1 3 ? -6.656 1.825 11.032 1.00 92.05 3 A 1 ATOM 19 C C . PHE A 1 3 ? -6.720 2.454 9.647 1.00 92.30 3 A 1 ATOM 20 O O . PHE A 1 3 ? -6.150 1.927 8.691 1.00 92.58 3 A 1 ATOM 21 C CB . PHE A 1 3 ? -7.787 0.815 11.197 1.00 91.22 3 A 1 ATOM 22 C CG . PHE A 1 3 ? -7.607 -0.057 12.410 1.00 86.15 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? -6.689 -1.094 12.399 1.00 82.47 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? -8.350 0.173 13.559 1.00 81.96 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? -6.516 -1.898 13.513 1.00 82.04 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? -8.179 -0.629 14.681 1.00 81.62 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? -7.264 -1.664 14.653 1.00 79.82 3 A 1 ATOM 28 N N . HIS A 1 4 ? -7.400 3.583 9.546 1.00 91.59 4 A 1 ATOM 29 C CA . HIS A 1 4 ? -7.509 4.282 8.264 1.00 91.70 4 A 1 ATOM 30 C C . HIS A 1 4 ? -6.136 4.769 7.802 1.00 92.40 4 A 1 ATOM 31 O O . HIS A 1 4 ? -5.829 4.751 6.610 1.00 91.07 4 A 1 ATOM 32 C CB . HIS A 1 4 ? -8.470 5.462 8.384 1.00 89.83 4 A 1 ATOM 33 C CG . HIS A 1 4 ? -8.738 6.118 7.058 1.00 82.92 4 A 1 ATOM 34 N ND1 . HIS A 1 4 ? -7.991 7.163 6.564 1.00 74.20 4 A 1 ATOM 35 C CD2 . HIS A 1 4 ? -9.682 5.846 6.123 1.00 73.85 4 A 1 ATOM 36 C CE1 . HIS A 1 4 ? -8.470 7.509 5.372 1.00 73.76 4 A 1 ATOM 37 N NE2 . HIS A 1 4 ? -9.502 6.724 5.076 1.00 74.91 4 A 1 ATOM 38 N N . GLN A 1 5 ? -5.312 5.200 8.736 1.00 90.98 5 A 1 ATOM 39 C CA . GLN A 1 5 ? -3.966 5.663 8.403 1.00 92.14 5 A 1 ATOM 40 C C . GLN A 1 5 ? -3.122 4.503 7.884 1.00 92.83 5 A 1 ATOM 41 O O . GLN A 1 5 ? -2.407 4.644 6.892 1.00 90.71 5 A 1 ATOM 42 C CB . GLN A 1 5 ? -3.311 6.290 9.634 1.00 90.83 5 A 1 ATOM 43 C CG . GLN A 1 5 ? -3.994 7.594 10.048 1.00 80.88 5 A 1 ATOM 44 C CD . GLN A 1 5 ? -3.365 8.195 11.289 1.00 76.55 5 A 1 ATOM 45 O OE1 . GLN A 1 5 ? -2.634 7.524 12.010 1.00 71.40 5 A 1 ATOM 46 N NE2 . GLN A 1 5 ? -3.635 9.455 11.567 1.00 65.82 5 A 1 ATOM 47 N N . PHE A 1 6 ? -3.218 3.363 8.548 1.00 91.38 6 A 1 ATOM 48 C CA . PHE A 1 6 ? -2.485 2.181 8.107 1.00 91.69 6 A 1 ATOM 49 C C . PHE A 1 6 ? -2.992 1.709 6.751 1.00 92.21 6 A 1 ATOM 50 O O . PHE A 1 6 ? -2.220 1.224 5.924 1.00 91.70 6 A 1 ATOM 51 C CB . PHE A 1 6 ? -2.627 1.060 9.133 1.00 91.04 6 A 1 ATOM 52 C CG . PHE A 1 6 ? -1.831 1.310 10.388 1.00 88.56 6 A 1 ATOM 53 C CD1 . PHE A 1 6 ? -0.452 1.141 10.395 1.00 84.82 6 A 1 ATOM 54 C CD2 . PHE A 1 6 ? -2.467 1.713 11.555 1.00 85.44 6 A 1 ATOM 55 C CE1 . PHE A 1 6 ? 0.279 1.372 11.549 1.00 83.38 6 A 1 ATOM 56 C CE2 . PHE A 1 6 ? -1.735 1.945 12.714 1.00 83.05 6 A 1 ATOM 57 C CZ . PHE A 1 6 ? -0.364 1.774 12.708 1.00 81.77 6 A 1 ATOM 58 N N . TYR A 1 7 ? -4.292 1.861 6.530 1.00 92.31 7 A 1 ATOM 59 C CA . TYR A 1 7 ? -4.893 1.468 5.259 1.00 92.43 7 A 1 ATOM 60 C C . TYR A 1 7 ? -4.303 2.285 4.112 1.00 92.60 7 A 1 ATOM 61 O O . TYR A 1 7 ? -4.033 1.751 3.033 1.00 92.67 7 A 1 ATOM 62 C CB . TYR A 1 7 ? -6.409 1.654 5.330 1.00 92.14 7 A 1 ATOM 63 C CG . TYR A 1 7 ? -7.113 1.161 4.088 1.00 90.54 7 A 1 ATOM 64 C CD1 . TYR A 1 7 ? -7.098 -0.189 3.751 1.00 86.94 7 A 1 ATOM 65 C CD2 . TYR A 1 7 ? -7.788 2.050 3.265 1.00 87.23 7 A 1 ATOM 66 C CE1 . TYR A 1 7 ? -7.742 -0.644 2.608 1.00 86.29 7 A 1 ATOM 67 C CE2 . TYR A 1 7 ? -8.440 1.603 2.113 1.00 86.75 7 A 1 ATOM 68 C CZ . TYR A 1 7 ? -8.410 0.256 1.794 1.00 86.92 7 A 1 ATOM 69 O OH . TYR A 1 7 ? -9.042 -0.185 0.655 1.00 84.36 7 A 1 ATOM 70 N N . SER A 1 8 ? -4.083 3.568 4.345 1.00 90.23 8 A 1 ATOM 71 C CA . SER A 1 8 ? -3.501 4.440 3.324 1.00 90.47 8 A 1 ATOM 72 C C . SER A 1 8 ? -2.086 3.986 2.970 1.00 90.94 8 A 1 ATOM 73 O O . SER A 1 8 ? -1.699 3.979 1.802 1.00 89.73 8 A 1 ATOM 74 C CB . SER A 1 8 ? -3.479 5.885 3.817 1.00 89.00 8 A 1 ATOM 75 O OG . SER A 1 8 ? -4.798 6.340 4.050 1.00 80.75 8 A 1 ATOM 76 N N . ILE A 1 9 ? -1.327 3.601 3.966 1.00 90.69 9 A 1 ATOM 77 C CA . ILE A 1 9 ? 0.038 3.120 3.750 1.00 90.70 9 A 1 ATOM 78 C C . ILE A 1 9 ? 0.013 1.806 2.980 1.00 91.53 9 A 1 ATOM 79 O O . ILE A 1 9 ? 0.838 1.579 2.092 1.00 90.46 9 A 1 ATOM 80 C CB . ILE A 1 9 ? 0.767 2.933 5.093 1.00 89.85 9 A 1 ATOM 81 C CG1 . ILE A 1 9 ? 0.896 4.277 5.818 1.00 86.94 9 A 1 ATOM 82 C CG2 . ILE A 1 9 ? 2.146 2.318 4.862 1.00 85.96 9 A 1 ATOM 83 C CD1 . ILE A 1 9 ? 1.366 4.128 7.256 1.00 81.31 9 A 1 ATOM 84 N N . LEU A 1 10 ? -0.941 0.956 3.316 1.00 91.42 10 A 1 ATOM 85 C CA . LEU A 1 10 ? -1.072 -0.334 2.648 1.00 91.47 10 A 1 ATOM 86 C C . LEU A 1 10 ? -1.365 -0.141 1.166 1.00 92.21 10 A 1 ATOM 87 O O . LEU A 1 10 ? -0.797 -0.833 0.320 1.00 92.44 10 A 1 ATOM 88 C CB . LEU A 1 10 ? -2.185 -1.151 3.309 1.00 90.71 10 A 1 ATOM 89 C CG . LEU A 1 10 ? -2.369 -2.547 2.712 1.00 85.58 10 A 1 ATOM 90 C CD1 . LEU A 1 10 ? -1.112 -3.389 2.907 1.00 82.18 10 A 1 ATOM 91 C CD2 . LEU A 1 10 ? -3.564 -3.240 3.355 1.00 83.49 10 A 1 ATOM 92 N N . ILE A 1 11 ? -2.243 0.796 0.853 1.00 92.20 11 A 1 ATOM 93 C CA . ILE A 1 11 ? -2.592 1.085 -0.540 1.00 92.31 11 A 1 ATOM 94 C C . ILE A 1 11 ? -1.363 1.576 -1.298 1.00 92.94 11 A 1 ATOM 95 O O . ILE A 1 11 ? -1.105 1.149 -2.426 1.00 92.01 11 A 1 ATOM 96 C CB . ILE A 1 11 ? -3.716 2.131 -0.610 1.00 91.80 11 A 1 ATOM 97 C CG1 . ILE A 1 11 ? -5.009 1.551 -0.019 1.00 88.83 11 A 1 ATOM 98 C CG2 . ILE A 1 11 ? -3.954 2.554 -2.065 1.00 87.72 11 A 1 ATOM 99 C CD1 . ILE A 1 11 ? -6.077 2.606 0.200 1.00 82.89 11 A 1 ATOM 100 N N . LEU A 1 12 ? -0.606 2.454 -0.684 1.00 92.04 12 A 1 ATOM 101 C CA . LEU A 1 12 ? 0.597 2.992 -1.313 1.00 91.44 12 A 1 ATOM 102 C C . LEU A 1 12 ? 1.595 1.879 -1.607 1.00 92.19 12 A 1 ATOM 103 O O . LEU A 1 12 ? 2.258 1.886 -2.644 1.00 91.65 12 A 1 ATOM 104 C CB . LEU A 1 12 ? 1.231 4.034 -0.397 1.00 90.43 12 A 1 ATOM 105 C CG . LEU A 1 12 ? 2.454 4.712 -1.000 1.00 83.38 12 A 1 ATOM 106 C CD1 . LEU A 1 12 ? 2.069 5.517 -2.230 1.00 79.09 12 A 1 ATOM 107 C CD2 . LEU A 1 12 ? 3.103 5.623 0.035 1.00 81.09 12 A 1 ATOM 108 N N . CYS A 1 13 ? 1.693 0.934 -0.714 1.00 90.89 13 A 1 ATOM 109 C CA . CYS A 1 13 ? 2.605 -0.193 -0.879 1.00 90.66 13 A 1 ATOM 110 C C . CYS A 1 13 ? 2.154 -1.097 -2.022 1.00 91.24 13 A 1 ATOM 111 O O . CYS A 1 13 ? 2.984 -1.655 -2.740 1.00 89.76 13 A 1 ATOM 112 C CB . CYS A 1 13 ? 2.685 -0.991 0.425 1.00 89.42 13 A 1 ATOM 113 S SG . CYS A 1 13 ? 3.926 -2.289 0.339 1.00 85.49 13 A 1 ATOM 114 N N . LEU A 1 14 ? 0.852 -1.234 -2.194 1.00 92.83 14 A 1 ATOM 115 C CA . LEU A 1 14 ? 0.311 -2.079 -3.256 1.00 92.88 14 A 1 ATOM 116 C C . LEU A 1 14 ? 0.433 -1.406 -4.616 1.00 93.74 14 A 1 ATOM 117 O O . LEU A 1 14 ? 0.709 -2.071 -5.617 1.00 92.53 14 A 1 ATOM 118 C CB . LEU A 1 14 ? -1.160 -2.396 -2.961 1.00 92.18 14 A 1 ATOM 119 C CG . LEU A 1 14 ? -1.369 -3.303 -1.750 1.00 87.68 14 A 1 ATOM 120 C CD1 . LEU A 1 14 ? -2.843 -3.388 -1.393 1.00 83.84 14 A 1 ATOM 121 C CD2 . LEU A 1 14 ? -0.826 -4.699 -2.030 1.00 85.09 14 A 1 ATOM 122 N N . ILE A 1 15 ? 0.231 -0.098 -4.658 1.00 93.37 15 A 1 ATOM 123 C CA . ILE A 1 15 ? 0.297 0.649 -5.910 1.00 93.03 15 A 1 ATOM 124 C C . ILE A 1 15 ? 1.743 0.844 -6.354 1.00 93.33 15 A 1 ATOM 125 O O . ILE A 1 15 ? 2.086 0.566 -7.508 1.00 91.81 15 A 1 ATOM 126 C CB . ILE A 1 15 ? -0.402 2.011 -5.769 1.00 92.14 15 A 1 ATOM 127 C CG1 . ILE A 1 15 ? -1.887 1.807 -5.452 1.00 88.73 15 A 1 ATOM 128 C CG2 . ILE A 1 15 ? -0.242 2.809 -7.067 1.00 87.22 15 A 1 ATOM 129 C CD1 . ILE A 1 15 ? -2.584 3.100 -5.081 1.00 85.80 15 A 1 ATOM 130 N N . PHE A 1 16 ? 2.582 1.330 -5.444 1.00 92.15 16 A 1 ATOM 131 C CA . PHE A 1 16 ? 3.985 1.587 -5.751 1.00 91.97 16 A 1 ATOM 132 C C . PHE A 1 16 ? 4.902 0.841 -4.790 1.00 91.85 16 A 1 ATOM 133 O O . PHE A 1 16 ? 5.584 1.461 -3.972 1.00 89.93 16 A 1 ATOM 134 C CB . PHE A 1 16 ? 4.267 3.086 -5.682 1.00 91.14 16 A 1 ATOM 135 C CG . PHE A 1 16 ? 3.467 3.890 -6.673 1.00 89.18 16 A 1 ATOM 136 C CD1 . PHE A 1 16 ? 3.251 3.420 -7.956 1.00 85.23 16 A 1 ATOM 137 C CD2 . PHE A 1 16 ? 2.947 5.125 -6.319 1.00 85.58 16 A 1 ATOM 138 C CE1 . PHE A 1 16 ? 2.526 4.159 -8.872 1.00 85.20 16 A 1 ATOM 139 C CE2 . PHE A 1 16 ? 2.228 5.876 -7.230 1.00 84.61 16 A 1 ATOM 140 C CZ . PHE A 1 16 ? 2.014 5.388 -8.505 1.00 83.94 16 A 1 ATOM 141 N N . PRO A 1 17 ? 4.948 -0.490 -4.887 1.00 91.49 17 A 1 ATOM 142 C CA . PRO A 1 17 ? 5.809 -1.280 -4.003 1.00 90.55 17 A 1 ATOM 143 C C . PRO A 1 17 ? 7.287 -1.053 -4.291 1.00 90.33 17 A 1 ATOM 144 O O . PRO A 1 17 ? 8.113 -1.084 -3.381 1.00 86.75 17 A 1 ATOM 145 C CB . PRO A 1 17 ? 5.398 -2.727 -4.298 1.00 88.66 17 A 1 ATOM 146 C CG . PRO A 1 17 ? 4.860 -2.686 -5.696 1.00 87.53 17 A 1 ATOM 147 C CD . PRO A 1 17 ? 4.220 -1.330 -5.857 1.00 90.08 17 A 1 ATOM 148 N N . ASN A 1 18 ? 7.613 -0.813 -5.555 1.00 86.13 18 A 1 ATOM 149 C CA . ASN A 1 18 ? 9.003 -0.597 -5.949 1.00 85.57 18 A 1 ATOM 150 C C . ASN A 1 18 ? 9.499 0.775 -5.508 1.00 85.42 18 A 1 ATOM 151 O O . ASN A 1 18 ? 10.649 0.924 -5.098 1.00 84.22 18 A 1 ATOM 152 C CB . ASN A 1 18 ? 9.144 -0.746 -7.464 1.00 84.40 18 A 1 ATOM 153 C CG . ASN A 1 18 ? 8.880 -2.169 -7.918 1.00 78.01 18 A 1 ATOM 154 O OD1 . ASN A 1 18 ? 9.059 -3.117 -7.163 1.00 71.83 18 A 1 ATOM 155 N ND2 . ASN A 1 18 ? 8.450 -2.336 -9.157 1.00 72.04 18 A 1 ATOM 156 N N . GLN A 1 19 ? 8.626 1.782 -5.595 1.00 87.95 19 A 1 ATOM 157 C CA . GLN A 1 19 ? 9.010 3.141 -5.215 1.00 86.65 19 A 1 ATOM 158 C C . GLN A 1 19 ? 9.196 3.265 -3.708 1.00 85.74 19 A 1 ATOM 159 O O . GLN A 1 19 ? 9.969 4.100 -3.249 1.00 81.97 19 A 1 ATOM 160 C CB . GLN A 1 19 ? 7.960 4.143 -5.693 1.00 84.87 19 A 1 ATOM 161 C CG . GLN A 1 19 ? 7.934 4.255 -7.215 1.00 76.92 19 A 1 ATOM 162 C CD . GLN A 1 19 ? 6.979 5.332 -7.674 1.00 72.46 19 A 1 ATOM 163 O OE1 . GLN A 1 19 ? 6.253 5.909 -6.874 1.00 69.22 19 A 1 ATOM 164 N NE2 . GLN A 1 19 ? 6.961 5.624 -8.963 1.00 63.12 19 A 1 ATOM 165 N N . VAL A 1 20 ? 8.496 2.439 -2.954 1.00 84.66 20 A 1 ATOM 166 C CA . VAL A 1 20 ? 8.628 2.465 -1.499 1.00 81.29 20 A 1 ATOM 167 C C . VAL A 1 20 ? 10.016 1.986 -1.086 1.00 81.04 20 A 1 ATOM 168 O O . VAL A 1 20 ? 10.634 2.538 -0.173 1.00 79.56 20 A 1 ATOM 169 C CB . VAL A 1 20 ? 7.546 1.603 -0.838 1.00 79.33 20 A 1 ATOM 170 C CG1 . VAL A 1 20 ? 7.768 1.522 0.666 1.00 70.98 20 A 1 ATOM 171 C CG2 . VAL A 1 20 ? 6.170 2.169 -1.133 1.00 73.01 20 A 1 ATOM 172 N N . VAL A 1 21 ? 10.498 0.966 -1.761 1.00 79.27 21 A 1 ATOM 173 C CA . VAL A 1 21 ? 11.820 0.410 -1.474 1.00 77.08 21 A 1 ATOM 174 C C . VAL A 1 21 ? 12.909 1.164 -2.237 1.00 76.76 21 A 1 ATOM 175 O O . VAL A 1 21 ? 13.956 1.501 -1.678 1.00 74.98 21 A 1 ATOM 176 C CB . VAL A 1 21 ? 11.874 -1.082 -1.833 1.00 74.29 21 A 1 ATOM 177 C CG1 . VAL A 1 21 ? 13.263 -1.647 -1.553 1.00 66.25 21 A 1 ATOM 178 C CG2 . VAL A 1 21 ? 10.824 -1.851 -1.053 1.00 67.65 21 A 1 ATOM 179 N N . GLN A 1 22 ? 12.661 1.418 -3.522 1.00 79.76 22 A 1 ATOM 180 C CA . GLN A 1 22 ? 13.612 2.117 -4.376 1.00 78.19 22 A 1 ATOM 181 C C . GLN A 1 22 ? 13.195 3.573 -4.562 1.00 75.03 22 A 1 ATOM 182 O O . GLN A 1 22 ? 12.009 3.896 -4.552 1.00 70.95 22 A 1 ATOM 183 C CB . GLN A 1 22 ? 13.705 1.421 -5.735 1.00 75.51 22 A 1 ATOM 184 C CG . GLN A 1 22 ? 14.227 -0.010 -5.627 1.00 68.70 22 A 1 ATOM 185 C CD . GLN A 1 22 ? 14.250 -0.714 -6.970 1.00 64.62 22 A 1 ATOM 186 O OE1 . GLN A 1 22 ? 13.689 -0.229 -7.938 1.00 61.37 22 A 1 ATOM 187 N NE2 . GLN A 1 22 ? 14.888 -1.867 -7.044 1.00 57.34 22 A 1 ATOM 188 N N . SER A 1 23 ? 14.164 4.433 -4.739 1.00 79.14 23 A 1 ATOM 189 C CA . SER A 1 23 ? 13.891 5.855 -4.933 1.00 77.34 23 A 1 ATOM 190 C C . SER A 1 23 ? 13.687 6.170 -6.413 1.00 72.91 23 A 1 ATOM 191 O O . SER A 1 23 ? 12.722 6.868 -6.752 1.00 66.85 23 A 1 ATOM 192 C CB . SER A 1 23 ? 15.051 6.689 -4.384 1.00 71.74 23 A 1 ATOM 193 O OG . SER A 1 23 ? 16.259 6.316 -5.010 1.00 64.21 23 A 1 ATOM 194 O OXT . SER A 1 23 ? 14.487 5.727 -7.219 1.00 65.35 23 A 1 #