# 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_spkb35993 # _entry.id spkb35993 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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 GLU 2 1 n LYS 3 1 n LEU 4 1 n THR 5 1 n VAL 6 1 n LEU 7 1 n ILE 8 1 n LEU 9 1 n VAL 10 1 n ALA 11 1 n THR 12 1 n VAL 13 1 n LEU 14 1 n LEU 15 1 n THR 16 1 n ILE 17 1 n GLN 18 1 n VAL 19 1 n LEU 20 1 n ALA 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 00:37:18)" _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 94.87 _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 90.72 1 1 A GLU 2 2 88.69 1 2 A LYS 3 2 91.93 1 3 A LEU 4 2 94.85 1 4 A THR 5 2 96.15 1 5 A VAL 6 2 98.01 1 6 A LEU 7 2 95.41 1 7 A ILE 8 2 97.41 1 8 A LEU 9 2 95.22 1 9 A VAL 10 2 98.22 1 10 A ALA 11 2 98.67 1 11 A THR 12 2 96.22 1 12 A VAL 13 2 98.29 1 13 A LEU 14 2 96.59 1 14 A LEU 15 2 95.33 1 15 A THR 16 2 96.59 1 16 A ILE 17 2 97.86 1 17 A GLN 18 2 91.50 1 18 A VAL 19 2 98.21 1 19 A LEU 20 2 95.47 1 20 A ALA 21 2 98.20 1 21 A GLN 22 2 89.43 1 22 A SER 23 2 89.45 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 GLU . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 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 ? -15.328 -3.647 8.463 1.00 97.11 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.897 -4.004 7.086 1.00 97.71 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.397 -4.312 7.060 1.00 97.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.623 -3.627 6.402 1.00 97.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.222 -2.872 6.107 1.00 95.92 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.717 -2.713 5.856 1.00 87.70 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.030 -1.472 4.578 1.00 81.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.812 -1.536 4.479 1.00 71.23 1 A 1 ATOM 9 N N . GLU A 1 2 ? -12.984 -5.332 7.788 1.00 97.04 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -11.557 -5.617 8.014 1.00 97.64 2 A 1 ATOM 11 C C . GLU A 1 2 ? -10.836 -6.026 6.723 1.00 97.95 2 A 1 ATOM 12 O O . GLU A 1 2 ? -9.689 -5.642 6.494 1.00 97.10 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -11.450 -6.721 9.065 1.00 96.18 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -12.074 -6.285 10.397 1.00 84.82 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -12.065 -7.418 11.405 1.00 80.06 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -12.736 -8.435 11.140 1.00 72.01 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -11.398 -7.283 12.439 1.00 75.45 2 A 1 ATOM 18 N N . LYS A 1 3 ? -11.521 -6.748 5.826 1.00 98.25 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -10.947 -7.157 4.535 1.00 98.45 3 A 1 ATOM 20 C C . LYS A 1 3 ? -10.565 -5.957 3.665 1.00 98.46 3 A 1 ATOM 21 O O . LYS A 1 3 ? -9.546 -5.998 2.978 1.00 98.10 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -11.932 -8.056 3.779 1.00 98.19 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -12.155 -9.396 4.482 1.00 93.34 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -13.028 -10.317 3.629 1.00 87.93 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -13.218 -11.660 4.321 1.00 80.75 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -14.042 -12.589 3.515 1.00 73.94 3 A 1 ATOM 27 N N . LEU A 1 4 ? -11.361 -4.899 3.699 1.00 98.35 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -11.102 -3.686 2.929 1.00 98.44 4 A 1 ATOM 29 C C . LEU A 1 4 ? -9.871 -2.959 3.477 1.00 98.55 4 A 1 ATOM 30 O O . LEU A 1 4 ? -9.035 -2.486 2.710 1.00 98.41 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -12.374 -2.819 2.948 1.00 98.22 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -12.561 -1.975 1.685 1.00 91.76 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -14.046 -1.716 1.437 1.00 87.41 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -11.856 -0.631 1.797 1.00 87.68 4 A 1 ATOM 35 N N . THR A 1 5 ? -9.720 -2.930 4.796 1.00 98.49 5 A 1 ATOM 36 C CA . THR A 1 5 ? -8.546 -2.354 5.456 1.00 98.58 5 A 1 ATOM 37 C C . THR A 1 5 ? -7.268 -3.098 5.068 1.00 98.66 5 A 1 ATOM 38 O O . THR A 1 5 ? -6.260 -2.462 4.766 1.00 98.48 5 A 1 ATOM 39 C CB . THR A 1 5 ? -8.728 -2.387 6.977 1.00 98.28 5 A 1 ATOM 40 O OG1 . THR A 1 5 ? -9.989 -1.845 7.319 1.00 91.83 5 A 1 ATOM 41 C CG2 . THR A 1 5 ? -7.659 -1.569 7.695 1.00 88.76 5 A 1 ATOM 42 N N . VAL A 1 6 ? -7.312 -4.418 5.022 1.00 98.65 6 A 1 ATOM 43 C CA . VAL A 1 6 ? -6.168 -5.234 4.591 1.00 98.66 6 A 1 ATOM 44 C C . VAL A 1 6 ? -5.810 -4.938 3.134 1.00 98.71 6 A 1 ATOM 45 O O . VAL A 1 6 ? -4.635 -4.784 2.809 1.00 98.56 6 A 1 ATOM 46 C CB . VAL A 1 6 ? -6.462 -6.731 4.796 1.00 98.43 6 A 1 ATOM 47 C CG1 . VAL A 1 6 ? -5.347 -7.613 4.232 1.00 96.63 6 A 1 ATOM 48 C CG2 . VAL A 1 6 ? -6.609 -7.045 6.285 1.00 96.44 6 A 1 ATOM 49 N N . LEU A 1 7 ? -6.811 -4.815 2.266 1.00 98.55 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -6.589 -4.496 0.855 1.00 98.53 7 A 1 ATOM 51 C C . LEU A 1 7 ? -5.895 -3.140 0.688 1.00 98.63 7 A 1 ATOM 52 O O . LEU A 1 7 ? -4.946 -3.021 -0.086 1.00 98.58 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -7.936 -4.505 0.115 1.00 98.35 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -7.787 -4.956 -1.342 1.00 92.45 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -8.166 -6.434 -1.477 1.00 88.44 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -8.680 -4.132 -2.258 1.00 89.74 7 A 1 ATOM 57 N N . ILE A 1 8 ? -6.343 -2.134 1.428 1.00 98.62 8 A 1 ATOM 58 C CA . ILE A 1 8 ? -5.737 -0.798 1.419 1.00 98.63 8 A 1 ATOM 59 C C . ILE A 1 8 ? -4.303 -0.865 1.939 1.00 98.66 8 A 1 ATOM 60 O O . ILE A 1 8 ? -3.409 -0.256 1.350 1.00 98.53 8 A 1 ATOM 61 C CB . ILE A 1 8 ? -6.594 0.194 2.235 1.00 98.55 8 A 1 ATOM 62 C CG1 . ILE A 1 8 ? -7.941 0.446 1.532 1.00 97.24 8 A 1 ATOM 63 C CG2 . ILE A 1 8 ? -5.856 1.529 2.438 1.00 96.49 8 A 1 ATOM 64 C CD1 . ILE A 1 8 ? -8.965 1.163 2.407 1.00 92.53 8 A 1 ATOM 65 N N . LEU A 1 9 ? -4.064 -1.612 3.006 1.00 98.63 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -2.727 -1.762 3.574 1.00 98.56 9 A 1 ATOM 67 C C . LEU A 1 9 ? -1.762 -2.384 2.560 1.00 98.66 9 A 1 ATOM 68 O O . LEU A 1 9 ? -0.666 -1.865 2.356 1.00 98.59 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -2.826 -2.611 4.850 1.00 98.33 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -1.501 -2.713 5.615 1.00 90.58 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -1.110 -1.372 6.235 1.00 88.41 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -1.632 -3.750 6.726 1.00 89.96 9 A 1 ATOM 73 N N . VAL A 1 10 ? -2.175 -3.456 1.898 1.00 98.76 10 A 1 ATOM 74 C CA . VAL A 1 10 ? -1.362 -4.113 0.866 1.00 98.75 10 A 1 ATOM 75 C C . VAL A 1 10 ? -1.096 -3.162 -0.299 1.00 98.81 10 A 1 ATOM 76 O O . VAL A 1 10 ? 0.046 -3.048 -0.750 1.00 98.67 10 A 1 ATOM 77 C CB . VAL A 1 10 ? -2.040 -5.411 0.386 1.00 98.53 10 A 1 ATOM 78 C CG1 . VAL A 1 10 ? -1.321 -6.023 -0.819 1.00 96.95 10 A 1 ATOM 79 C CG2 . VAL A 1 10 ? -2.053 -6.447 1.507 1.00 97.08 10 A 1 ATOM 80 N N . ALA A 1 11 ? -2.112 -2.446 -0.764 1.00 98.76 11 A 1 ATOM 81 C CA . ALA A 1 11 ? -1.956 -1.468 -1.837 1.00 98.74 11 A 1 ATOM 82 C C . ALA A 1 11 ? -0.978 -0.349 -1.449 1.00 98.77 11 A 1 ATOM 83 O O . ALA A 1 11 ? -0.141 0.041 -2.261 1.00 98.52 11 A 1 ATOM 84 C CB . ALA A 1 11 ? -3.334 -0.904 -2.196 1.00 98.58 11 A 1 ATOM 85 N N . THR A 1 12 ? -1.032 0.126 -0.214 1.00 98.67 12 A 1 ATOM 86 C CA . THR A 1 12 ? -0.123 1.159 0.293 1.00 98.65 12 A 1 ATOM 87 C C . THR A 1 12 ? 1.318 0.658 0.327 1.00 98.73 12 A 1 ATOM 88 O O . THR A 1 12 ? 2.225 1.374 -0.097 1.00 98.40 12 A 1 ATOM 89 C CB . THR A 1 12 ? -0.555 1.617 1.692 1.00 98.26 12 A 1 ATOM 90 O OG1 . THR A 1 12 ? -1.896 2.065 1.668 1.00 91.14 12 A 1 ATOM 91 C CG2 . THR A 1 12 ? 0.289 2.783 2.196 1.00 89.68 12 A 1 ATOM 92 N N . VAL A 1 13 ? 1.542 -0.560 0.786 1.00 98.77 13 A 1 ATOM 93 C CA . VAL A 1 13 ? 2.884 -1.157 0.811 1.00 98.74 13 A 1 ATOM 94 C C . VAL A 1 13 ? 3.437 -1.299 -0.607 1.00 98.78 13 A 1 ATOM 95 O O . VAL A 1 13 ? 4.579 -0.915 -0.860 1.00 98.56 13 A 1 ATOM 96 C CB . VAL A 1 13 ? 2.862 -2.511 1.544 1.00 98.56 13 A 1 ATOM 97 C CG1 . VAL A 1 13 ? 4.194 -3.248 1.421 1.00 97.30 13 A 1 ATOM 98 C CG2 . VAL A 1 13 ? 2.575 -2.304 3.032 1.00 97.35 13 A 1 ATOM 99 N N . LEU A 1 14 ? 2.638 -1.790 -1.542 1.00 98.80 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 3.052 -1.926 -2.940 1.00 98.74 14 A 1 ATOM 101 C C . LEU A 1 14 ? 3.388 -0.569 -3.561 1.00 98.71 14 A 1 ATOM 102 O O . LEU A 1 14 ? 4.393 -0.446 -4.261 1.00 98.55 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 1.938 -2.614 -3.739 1.00 98.63 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 1.787 -4.111 -3.448 1.00 95.15 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 0.516 -4.635 -4.109 1.00 91.49 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 2.979 -4.908 -3.981 1.00 92.68 14 A 1 ATOM 107 N N . LEU A 1 15 ? 2.587 0.448 -3.282 1.00 98.70 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 2.829 1.803 -3.772 1.00 98.59 15 A 1 ATOM 109 C C . LEU A 1 15 ? 4.128 2.367 -3.193 1.00 98.64 15 A 1 ATOM 110 O O . LEU A 1 15 ? 4.918 2.967 -3.921 1.00 98.50 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 1.606 2.664 -3.436 1.00 98.39 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 1.537 3.961 -4.245 1.00 91.58 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 0.087 4.286 -4.596 1.00 88.07 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 2.124 5.135 -3.472 1.00 90.17 15 A 1 ATOM 115 N N . THR A 1 16 ? 4.393 2.137 -1.915 1.00 98.65 16 A 1 ATOM 116 C CA . THR A 1 16 ? 5.642 2.561 -1.272 1.00 98.61 16 A 1 ATOM 117 C C . THR A 1 16 ? 6.853 1.898 -1.931 1.00 98.69 16 A 1 ATOM 118 O O . THR A 1 16 ? 7.842 2.572 -2.215 1.00 98.48 16 A 1 ATOM 119 C CB . THR A 1 16 ? 5.611 2.238 0.228 1.00 98.34 16 A 1 ATOM 120 O OG1 . THR A 1 16 ? 4.492 2.847 0.835 1.00 92.59 16 A 1 ATOM 121 C CG2 . THR A 1 16 ? 6.848 2.767 0.951 1.00 90.79 16 A 1 ATOM 122 N N . ILE A 1 17 ? 6.775 0.609 -2.216 1.00 98.82 17 A 1 ATOM 123 C CA . ILE A 1 17 ? 7.846 -0.114 -2.907 1.00 98.77 17 A 1 ATOM 124 C C . ILE A 1 17 ? 8.067 0.469 -4.308 1.00 98.75 17 A 1 ATOM 125 O O . ILE A 1 17 ? 9.214 0.658 -4.716 1.00 98.60 17 A 1 ATOM 126 C CB . ILE A 1 17 ? 7.533 -1.623 -2.959 1.00 98.68 17 A 1 ATOM 127 C CG1 . ILE A 1 17 ? 7.578 -2.231 -1.543 1.00 97.82 17 A 1 ATOM 128 C CG2 . ILE A 1 17 ? 8.533 -2.363 -3.869 1.00 97.40 17 A 1 ATOM 129 C CD1 . ILE A 1 17 ? 6.936 -3.613 -1.445 1.00 94.08 17 A 1 ATOM 130 N N . GLN A 1 18 ? 7.001 0.788 -5.032 1.00 98.72 18 A 1 ATOM 131 C CA . GLN A 1 18 ? 7.112 1.397 -6.360 1.00 98.61 18 A 1 ATOM 132 C C . GLN A 1 18 ? 7.798 2.762 -6.302 1.00 98.62 18 A 1 ATOM 133 O O . GLN A 1 18 ? 8.673 3.038 -7.125 1.00 98.21 18 A 1 ATOM 134 C CB . GLN A 1 18 ? 5.728 1.536 -6.998 1.00 98.39 18 A 1 ATOM 135 C CG . GLN A 1 18 ? 5.190 0.194 -7.508 1.00 91.42 18 A 1 ATOM 136 C CD . GLN A 1 18 ? 3.822 0.332 -8.170 1.00 85.28 18 A 1 ATOM 137 O OE1 . GLN A 1 18 ? 3.215 1.394 -8.213 1.00 78.69 18 A 1 ATOM 138 N NE2 . GLN A 1 18 ? 3.289 -0.737 -8.719 1.00 75.60 18 A 1 ATOM 139 N N . VAL A 1 19 ? 7.449 3.593 -5.330 1.00 98.78 19 A 1 ATOM 140 C CA . VAL A 1 19 ? 8.088 4.902 -5.146 1.00 98.73 19 A 1 ATOM 141 C C . VAL A 1 19 ? 9.574 4.738 -4.826 1.00 98.74 19 A 1 ATOM 142 O O . VAL A 1 19 ? 10.410 5.439 -5.398 1.00 98.56 19 A 1 ATOM 143 C CB . VAL A 1 19 ? 7.360 5.708 -4.057 1.00 98.52 19 A 1 ATOM 144 C CG1 . VAL A 1 19 ? 8.097 6.997 -3.710 1.00 96.96 19 A 1 ATOM 145 C CG2 . VAL A 1 19 ? 5.954 6.080 -4.519 1.00 97.16 19 A 1 ATOM 146 N N . LEU A 1 20 ? 9.927 3.795 -3.964 1.00 98.79 20 A 1 ATOM 147 C CA . LEU A 1 20 ? 11.323 3.500 -3.642 1.00 98.67 20 A 1 ATOM 148 C C . LEU A 1 20 ? 12.086 2.962 -4.856 1.00 98.61 20 A 1 ATOM 149 O O . LEU A 1 20 ? 13.249 3.313 -5.048 1.00 98.38 20 A 1 ATOM 150 C CB . LEU A 1 20 ? 11.377 2.490 -2.486 1.00 98.52 20 A 1 ATOM 151 C CG . LEU A 1 20 ? 10.978 3.078 -1.129 1.00 93.23 20 A 1 ATOM 152 C CD1 . LEU A 1 20 ? 10.800 1.956 -0.111 1.00 88.18 20 A 1 ATOM 153 C CD2 . LEU A 1 20 ? 12.036 4.046 -0.604 1.00 89.34 20 A 1 ATOM 154 N N . ALA A 1 21 ? 11.443 2.156 -5.697 1.00 98.56 21 A 1 ATOM 155 C CA . ALA A 1 21 ? 12.056 1.620 -6.912 1.00 98.42 21 A 1 ATOM 156 C C . ALA A 1 21 ? 12.271 2.690 -7.992 1.00 98.26 21 A 1 ATOM 157 O O . ALA A 1 21 ? 13.140 2.528 -8.848 1.00 97.63 21 A 1 ATOM 158 C CB . ALA A 1 21 ? 11.187 0.474 -7.440 1.00 98.13 21 A 1 ATOM 159 N N . GLN A 1 22 ? 11.497 3.779 -7.962 1.00 98.23 22 A 1 ATOM 160 C CA . GLN A 1 22 ? 11.667 4.901 -8.890 1.00 97.60 22 A 1 ATOM 161 C C . GLN A 1 22 ? 12.793 5.847 -8.471 1.00 96.35 22 A 1 ATOM 162 O O . GLN A 1 22 ? 13.236 6.651 -9.293 1.00 91.46 22 A 1 ATOM 163 C CB . GLN A 1 22 ? 10.352 5.676 -9.015 1.00 96.70 22 A 1 ATOM 164 C CG . GLN A 1 22 ? 9.359 4.985 -9.950 1.00 90.19 22 A 1 ATOM 165 C CD . GLN A 1 22 ? 8.132 5.847 -10.228 1.00 84.05 22 A 1 ATOM 166 O OE1 . GLN A 1 22 ? 7.787 6.760 -9.494 1.00 76.55 22 A 1 ATOM 167 N NE2 . GLN A 1 22 ? 7.434 5.589 -11.314 1.00 73.72 22 A 1 ATOM 168 N N . SER A 1 23 ? 13.242 5.753 -7.233 1.00 96.64 23 A 1 ATOM 169 C CA . SER A 1 23 ? 14.310 6.607 -6.709 1.00 94.93 23 A 1 ATOM 170 C C . SER A 1 23 ? 15.694 6.053 -7.051 1.00 90.60 23 A 1 ATOM 171 O O . SER A 1 23 ? 16.607 6.853 -7.312 1.00 83.83 23 A 1 ATOM 172 C CB . SER A 1 23 ? 14.147 6.766 -5.196 1.00 92.72 23 A 1 ATOM 173 O OG . SER A 1 23 ? 15.025 7.774 -4.743 1.00 84.43 23 A 1 ATOM 174 O OXT . SER A 1 23 ? 15.831 4.813 -7.042 1.00 83.01 23 A 1 #