# 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_spkb43991 # _entry.id spkb43991 # 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 "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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 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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 LEU 2 1 n ASN 3 1 n PHE 4 1 n SER 5 1 n LEU 6 1 n CYS 7 1 n LEU 8 1 n TYR 9 1 n PRO 10 1 n VAL 11 1 n PHE 12 1 n ILE 13 1 n LEU 14 1 n ASN 15 1 n LYS 16 1 n LEU 17 1 n VAL 18 1 n LEU 19 1 n ARG 20 1 n THR 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 @ 2025-07-10 11:46:41)" _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 82.26 _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 69.49 1 1 A LEU 2 2 75.17 1 2 A ASN 3 2 73.80 1 3 A PHE 4 2 79.86 1 4 A SER 5 2 83.50 1 5 A LEU 6 2 83.78 1 6 A CYS 7 2 85.42 1 7 A LEU 8 2 84.87 1 8 A TYR 9 2 83.75 1 9 A PRO 10 2 86.79 1 10 A VAL 11 2 85.35 1 11 A PHE 12 2 83.05 1 12 A ILE 13 2 86.56 1 13 A LEU 14 2 85.74 1 14 A ASN 15 2 83.67 1 15 A LYS 16 2 82.40 1 16 A LEU 17 2 87.50 1 17 A VAL 18 2 89.99 1 18 A LEU 19 2 87.95 1 19 A ARG 20 2 77.46 1 20 A THR 21 2 86.20 1 21 A GLN 22 2 78.07 1 22 A SER 23 2 76.61 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 LEU . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n THR . 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 ? -14.588 -3.148 12.823 1.00 74.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.900 -1.915 12.392 1.00 76.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.674 -1.930 10.880 1.00 75.33 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.899 -2.737 10.380 1.00 75.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.559 -1.784 13.100 1.00 73.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.732 -1.429 14.569 1.00 66.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.207 -1.563 15.480 1.00 60.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.752 -1.053 17.107 1.00 54.18 1 A 1 ATOM 9 N N . LEU A 1 2 ? -14.357 -1.045 10.187 1.00 78.07 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -14.267 -0.983 8.732 1.00 80.08 2 A 1 ATOM 11 C C . LEU A 1 2 ? -12.975 -0.309 8.272 1.00 82.06 2 A 1 ATOM 12 O O . LEU A 1 2 ? -12.414 -0.666 7.238 1.00 80.14 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -15.487 -0.231 8.191 1.00 78.26 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -16.201 -0.966 7.069 1.00 70.92 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -17.637 -0.485 6.958 1.00 65.43 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -15.465 -0.763 5.761 1.00 66.41 2 A 1 ATOM 17 N N . ASN A 1 3 ? -12.512 0.637 9.046 1.00 77.05 3 A 1 ATOM 18 C CA . ASN A 1 3 ? -11.292 1.373 8.721 1.00 78.85 3 A 1 ATOM 19 C C . ASN A 1 3 ? -10.036 0.526 8.904 1.00 79.69 3 A 1 ATOM 20 O O . ASN A 1 3 ? -8.947 0.925 8.496 1.00 78.37 3 A 1 ATOM 21 C CB . ASN A 1 3 ? -11.195 2.630 9.588 1.00 75.72 3 A 1 ATOM 22 C CG . ASN A 1 3 ? -11.222 2.321 11.073 1.00 69.73 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? -11.571 1.229 11.491 1.00 64.67 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? -10.861 3.302 11.881 1.00 66.31 3 A 1 ATOM 25 N N . PHE A 1 4 ? -10.181 -0.618 9.507 1.00 84.54 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -9.050 -1.511 9.748 1.00 85.22 4 A 1 ATOM 27 C C . PHE A 1 4 ? -8.505 -2.071 8.438 1.00 86.88 4 A 1 ATOM 28 O O . PHE A 1 4 ? -7.294 -2.204 8.271 1.00 85.62 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -9.477 -2.656 10.674 1.00 83.71 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -8.313 -3.473 11.167 1.00 79.50 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? -7.474 -2.985 12.155 1.00 76.73 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -8.063 -4.730 10.637 1.00 76.64 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? -6.398 -3.735 12.611 1.00 73.64 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -6.984 -5.488 11.086 1.00 73.45 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? -6.155 -4.987 12.076 1.00 72.48 4 A 1 ATOM 36 N N . SER A 1 5 ? -9.386 -2.373 7.519 1.00 84.96 5 A 1 ATOM 37 C CA . SER A 1 5 ? -8.998 -2.940 6.229 1.00 85.54 5 A 1 ATOM 38 C C . SER A 1 5 ? -8.875 -1.872 5.143 1.00 86.15 5 A 1 ATOM 39 O O . SER A 1 5 ? -8.583 -2.185 3.989 1.00 85.84 5 A 1 ATOM 40 C CB . SER A 1 5 ? -10.009 -4.010 5.804 1.00 84.42 5 A 1 ATOM 41 O OG . SER A 1 5 ? -9.763 -5.229 6.468 1.00 74.06 5 A 1 ATOM 42 N N . LEU A 1 6 ? -9.096 -0.623 5.517 1.00 87.81 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -9.052 0.477 4.558 1.00 87.77 6 A 1 ATOM 44 C C . LEU A 1 6 ? -7.908 1.445 4.845 1.00 88.36 6 A 1 ATOM 45 O O . LEU A 1 6 ? -7.381 2.074 3.929 1.00 87.45 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -10.393 1.226 4.576 1.00 86.94 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -11.573 0.443 3.995 1.00 79.92 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -12.884 1.128 4.325 1.00 75.22 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -11.413 0.298 2.488 1.00 76.78 6 A 1 ATOM 50 N N . CYS A 1 7 ? -7.538 1.569 6.107 1.00 87.82 7 A 1 ATOM 51 C CA . CYS A 1 7 ? -6.485 2.499 6.502 1.00 87.82 7 A 1 ATOM 52 C C . CYS A 1 7 ? -5.177 1.789 6.854 1.00 88.41 7 A 1 ATOM 53 O O . CYS A 1 7 ? -4.136 2.428 6.979 1.00 86.61 7 A 1 ATOM 54 C CB . CYS A 1 7 ? -6.950 3.337 7.700 1.00 84.94 7 A 1 ATOM 55 S SG . CYS A 1 7 ? -8.115 4.649 7.261 1.00 76.90 7 A 1 ATOM 56 N N . LEU A 1 8 ? -5.249 0.496 7.019 1.00 87.40 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -4.068 -0.276 7.397 1.00 87.82 8 A 1 ATOM 58 C C . LEU A 1 8 ? -3.501 -1.063 6.221 1.00 88.27 8 A 1 ATOM 59 O O . LEU A 1 8 ? -2.297 -1.017 5.955 1.00 87.77 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -4.418 -1.228 8.548 1.00 86.92 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -3.205 -1.837 9.247 1.00 82.46 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -2.599 -0.831 10.216 1.00 78.90 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -3.597 -3.101 9.987 1.00 79.39 8 A 1 ATOM 64 N N . TYR A 1 9 ? -4.364 -1.775 5.531 1.00 86.75 9 A 1 ATOM 65 C CA . TYR A 1 9 ? -3.937 -2.612 4.410 1.00 86.45 9 A 1 ATOM 66 C C . TYR A 1 9 ? -3.618 -1.794 3.154 1.00 87.24 9 A 1 ATOM 67 O O . TYR A 1 9 ? -2.518 -1.912 2.602 1.00 87.03 9 A 1 ATOM 68 C CB . TYR A 1 9 ? -5.016 -3.664 4.112 1.00 86.28 9 A 1 ATOM 69 C CG . TYR A 1 9 ? -4.445 -5.053 3.926 1.00 84.26 9 A 1 ATOM 70 C CD1 . TYR A 1 9 ? -3.897 -5.439 2.712 1.00 82.37 9 A 1 ATOM 71 C CD2 . TYR A 1 9 ? -4.466 -5.971 4.969 1.00 82.41 9 A 1 ATOM 72 C CE1 . TYR A 1 9 ? -3.375 -6.713 2.545 1.00 80.44 9 A 1 ATOM 73 C CE2 . TYR A 1 9 ? -3.947 -7.247 4.806 1.00 81.24 9 A 1 ATOM 74 C CZ . TYR A 1 9 ? -3.402 -7.613 3.592 1.00 81.74 9 A 1 ATOM 75 O OH . TYR A 1 9 ? -2.888 -8.872 3.423 1.00 78.74 9 A 1 ATOM 76 N N . PRO A 1 10 ? -4.553 -0.969 2.695 1.00 87.97 10 A 1 ATOM 77 C CA . PRO A 1 10 ? -4.321 -0.171 1.483 1.00 87.68 10 A 1 ATOM 78 C C . PRO A 1 10 ? -3.112 0.755 1.610 1.00 88.65 10 A 1 ATOM 79 O O . PRO A 1 10 ? -2.359 0.932 0.658 1.00 86.88 10 A 1 ATOM 80 C CB . PRO A 1 10 ? -5.622 0.635 1.334 1.00 85.98 10 A 1 ATOM 81 C CG . PRO A 1 10 ? -6.635 -0.120 2.121 1.00 83.45 10 A 1 ATOM 82 C CD . PRO A 1 10 ? -5.880 -0.756 3.254 1.00 86.95 10 A 1 ATOM 83 N N . VAL A 1 11 ? -2.932 1.337 2.770 1.00 87.82 11 A 1 ATOM 84 C CA . VAL A 1 11 ? -1.815 2.255 2.989 1.00 87.38 11 A 1 ATOM 85 C C . VAL A 1 11 ? -0.478 1.516 2.937 1.00 87.78 11 A 1 ATOM 86 O O . VAL A 1 11 ? 0.524 2.048 2.459 1.00 86.34 11 A 1 ATOM 87 C CB . VAL A 1 11 ? -1.981 2.997 4.334 1.00 86.02 11 A 1 ATOM 88 C CG1 . VAL A 1 11 ? -1.642 2.098 5.515 1.00 80.35 11 A 1 ATOM 89 C CG2 . VAL A 1 11 ? -1.123 4.251 4.351 1.00 81.74 11 A 1 ATOM 90 N N . PHE A 1 12 ? -0.466 0.308 3.425 1.00 87.84 12 A 1 ATOM 91 C CA . PHE A 1 12 ? 0.746 -0.508 3.419 1.00 87.44 12 A 1 ATOM 92 C C . PHE A 1 12 ? 1.108 -0.928 1.998 1.00 88.44 12 A 1 ATOM 93 O O . PHE A 1 12 ? 2.279 -0.913 1.616 1.00 87.83 12 A 1 ATOM 94 C CB . PHE A 1 12 ? 0.539 -1.741 4.296 1.00 87.34 12 A 1 ATOM 95 C CG . PHE A 1 12 ? 1.811 -2.507 4.534 1.00 83.03 12 A 1 ATOM 96 C CD1 . PHE A 1 12 ? 2.784 -2.009 5.386 1.00 79.82 12 A 1 ATOM 97 C CD2 . PHE A 1 12 ? 2.021 -3.722 3.897 1.00 80.63 12 A 1 ATOM 98 C CE1 . PHE A 1 12 ? 3.957 -2.712 5.604 1.00 76.49 12 A 1 ATOM 99 C CE2 . PHE A 1 12 ? 3.198 -4.430 4.112 1.00 77.55 12 A 1 ATOM 100 C CZ . PHE A 1 12 ? 4.165 -3.922 4.965 1.00 77.15 12 A 1 ATOM 101 N N . ILE A 1 13 ? 0.110 -1.297 1.241 1.00 89.25 13 A 1 ATOM 102 C CA . ILE A 1 13 ? 0.309 -1.711 -0.143 1.00 88.83 13 A 1 ATOM 103 C C . ILE A 1 13 ? 0.809 -0.538 -0.983 1.00 89.37 13 A 1 ATOM 104 O O . ILE A 1 13 ? 1.691 -0.689 -1.827 1.00 89.01 13 A 1 ATOM 105 C CB . ILE A 1 13 ? -1.001 -2.278 -0.733 1.00 88.76 13 A 1 ATOM 106 C CG1 . ILE A 1 13 ? -1.489 -3.498 0.074 1.00 84.61 13 A 1 ATOM 107 C CG2 . ILE A 1 13 ? -0.800 -2.653 -2.206 1.00 83.37 13 A 1 ATOM 108 C CD1 . ILE A 1 13 ? -0.535 -4.679 0.032 1.00 79.24 13 A 1 ATOM 109 N N . LEU A 1 14 ? 0.240 0.614 -0.742 1.00 90.51 14 A 1 ATOM 110 C CA . LEU A 1 14 ? 0.622 1.818 -1.470 1.00 90.18 14 A 1 ATOM 111 C C . LEU A 1 14 ? 2.068 2.199 -1.162 1.00 90.54 14 A 1 ATOM 112 O O . LEU A 1 14 ? 2.822 2.586 -2.053 1.00 89.93 14 A 1 ATOM 113 C CB . LEU A 1 14 ? -0.317 2.964 -1.092 1.00 89.23 14 A 1 ATOM 114 C CG . LEU A 1 14 ? -0.285 4.136 -2.053 1.00 80.77 14 A 1 ATOM 115 C CD1 . LEU A 1 14 ? -1.112 3.817 -3.294 1.00 76.21 14 A 1 ATOM 116 C CD2 . LEU A 1 14 ? -0.818 5.389 -1.379 1.00 78.58 14 A 1 ATOM 117 N N . ASN A 1 15 ? 2.444 2.089 0.085 1.00 88.91 15 A 1 ATOM 118 C CA . ASN A 1 15 ? 3.800 2.410 0.511 1.00 88.61 15 A 1 ATOM 119 C C . ASN A 1 15 ? 4.817 1.487 -0.156 1.00 88.94 15 A 1 ATOM 120 O O . ASN A 1 15 ? 5.890 1.922 -0.570 1.00 87.93 15 A 1 ATOM 121 C CB . ASN A 1 15 ? 3.911 2.299 2.032 1.00 87.28 15 A 1 ATOM 122 C CG . ASN A 1 15 ? 3.390 3.533 2.740 1.00 80.35 15 A 1 ATOM 123 O OD1 . ASN A 1 15 ? 3.398 4.633 2.195 1.00 72.67 15 A 1 ATOM 124 N ND2 . ASN A 1 15 ? 2.943 3.372 3.971 1.00 74.65 15 A 1 ATOM 125 N N . LYS A 1 16 ? 4.469 0.228 -0.255 1.00 90.65 16 A 1 ATOM 126 C CA . LYS A 1 16 ? 5.334 -0.759 -0.895 1.00 90.34 16 A 1 ATOM 127 C C . LYS A 1 16 ? 5.488 -0.457 -2.382 1.00 91.03 16 A 1 ATOM 128 O O . LYS A 1 16 ? 6.563 -0.649 -2.951 1.00 89.95 16 A 1 ATOM 129 C CB . LYS A 1 16 ? 4.748 -2.158 -0.694 1.00 89.76 16 A 1 ATOM 130 C CG . LYS A 1 16 ? 5.125 -2.766 0.643 1.00 80.61 16 A 1 ATOM 131 C CD . LYS A 1 16 ? 6.257 -3.760 0.486 1.00 76.42 16 A 1 ATOM 132 C CE . LYS A 1 16 ? 6.603 -4.444 1.797 1.00 70.46 16 A 1 ATOM 133 N NZ . LYS A 1 16 ? 7.639 -5.483 1.615 1.00 62.41 16 A 1 ATOM 134 N N . LEU A 1 17 ? 4.426 0.009 -2.975 1.00 92.91 17 A 1 ATOM 135 C CA . LEU A 1 17 ? 4.431 0.338 -4.394 1.00 92.22 17 A 1 ATOM 136 C C . LEU A 1 17 ? 5.333 1.537 -4.671 1.00 92.65 17 A 1 ATOM 137 O O . LEU A 1 17 ? 6.057 1.561 -5.665 1.00 90.99 17 A 1 ATOM 138 C CB . LEU A 1 17 ? 3.005 0.641 -4.861 1.00 91.57 17 A 1 ATOM 139 C CG . LEU A 1 17 ? 2.809 0.541 -6.367 1.00 82.58 17 A 1 ATOM 140 C CD1 . LEU A 1 17 ? 2.599 -0.913 -6.777 1.00 77.25 17 A 1 ATOM 141 C CD2 . LEU A 1 17 ? 1.626 1.381 -6.813 1.00 79.86 17 A 1 ATOM 142 N N . VAL A 1 18 ? 5.286 2.507 -3.796 1.00 93.19 18 A 1 ATOM 143 C CA . VAL A 1 18 ? 6.102 3.712 -3.940 1.00 92.26 18 A 1 ATOM 144 C C . VAL A 1 18 ? 7.586 3.372 -3.802 1.00 92.17 18 A 1 ATOM 145 O O . VAL A 1 18 ? 8.429 3.885 -4.539 1.00 91.17 18 A 1 ATOM 146 C CB . VAL A 1 18 ? 5.698 4.771 -2.896 1.00 91.16 18 A 1 ATOM 147 C CG1 . VAL A 1 18 ? 6.626 5.972 -2.956 1.00 84.33 18 A 1 ATOM 148 C CG2 . VAL A 1 18 ? 4.261 5.212 -3.109 1.00 85.67 18 A 1 ATOM 149 N N . LEU A 1 19 ? 7.889 2.510 -2.866 1.00 93.04 19 A 1 ATOM 150 C CA . LEU A 1 19 ? 9.268 2.087 -2.640 1.00 92.37 19 A 1 ATOM 151 C C . LEU A 1 19 ? 9.815 1.322 -3.840 1.00 91.85 19 A 1 ATOM 152 O O . LEU A 1 19 ? 11.014 1.374 -4.125 1.00 90.85 19 A 1 ATOM 153 C CB . LEU A 1 19 ? 9.335 1.209 -1.386 1.00 92.07 19 A 1 ATOM 154 C CG . LEU A 1 19 ? 9.402 1.992 -0.077 1.00 84.04 19 A 1 ATOM 155 C CD1 . LEU A 1 19 ? 8.980 1.124 1.097 1.00 79.07 19 A 1 ATOM 156 C CD2 . LEU A 1 19 ? 10.814 2.512 0.144 1.00 80.35 19 A 1 ATOM 157 N N . ARG A 1 20 ? 8.947 0.638 -4.531 1.00 91.98 20 A 1 ATOM 158 C CA . ARG A 1 20 ? 9.336 -0.135 -5.709 1.00 90.87 20 A 1 ATOM 159 C C . ARG A 1 20 ? 9.790 0.769 -6.843 1.00 90.84 20 A 1 ATOM 160 O O . ARG A 1 20 ? 10.707 0.429 -7.589 1.00 88.14 20 A 1 ATOM 161 C CB . ARG A 1 20 ? 8.161 -1.001 -6.182 1.00 88.49 20 A 1 ATOM 162 C CG . ARG A 1 20 ? 8.284 -2.448 -5.751 1.00 76.84 20 A 1 ATOM 163 C CD . ARG A 1 20 ? 7.126 -3.271 -6.291 1.00 74.28 20 A 1 ATOM 164 N NE . ARG A 1 20 ? 7.507 -4.678 -6.460 1.00 69.07 20 A 1 ATOM 165 C CZ . ARG A 1 20 ? 6.763 -5.563 -7.104 1.00 64.32 20 A 1 ATOM 166 N NH1 . ARG A 1 20 ? 5.599 -5.215 -7.633 1.00 60.46 20 A 1 ATOM 167 N NH2 . ARG A 1 20 ? 7.180 -6.809 -7.223 1.00 56.78 20 A 1 ATOM 168 N N . THR A 1 21 ? 9.155 1.900 -6.962 1.00 91.33 21 A 1 ATOM 169 C CA . THR A 1 21 ? 9.477 2.851 -8.023 1.00 91.17 21 A 1 ATOM 170 C C . THR A 1 21 ? 10.484 3.901 -7.567 1.00 90.34 21 A 1 ATOM 171 O O . THR A 1 21 ? 11.100 4.580 -8.389 1.00 87.22 21 A 1 ATOM 172 C CB . THR A 1 21 ? 8.200 3.548 -8.513 1.00 88.81 21 A 1 ATOM 173 O OG1 . THR A 1 21 ? 7.484 4.079 -7.406 1.00 78.75 21 A 1 ATOM 174 C CG2 . THR A 1 21 ? 7.310 2.577 -9.269 1.00 75.76 21 A 1 ATOM 175 N N . GLN A 1 22 ? 10.623 4.029 -6.265 1.00 91.75 22 A 1 ATOM 176 C CA . GLN A 1 22 ? 11.528 5.024 -5.696 1.00 89.26 22 A 1 ATOM 177 C C . GLN A 1 22 ? 12.685 4.359 -4.950 1.00 85.70 22 A 1 ATOM 178 O O . GLN A 1 22 ? 13.169 4.878 -3.947 1.00 79.88 22 A 1 ATOM 179 C CB . GLN A 1 22 ? 10.751 5.945 -4.748 1.00 85.03 22 A 1 ATOM 180 C CG . GLN A 1 22 ? 11.412 7.296 -4.544 1.00 73.97 22 A 1 ATOM 181 C CD . GLN A 1 22 ? 10.637 8.191 -3.596 1.00 70.28 22 A 1 ATOM 182 O OE1 . GLN A 1 22 ? 10.168 7.742 -2.561 1.00 65.81 22 A 1 ATOM 183 N NE2 . GLN A 1 22 ? 10.492 9.459 -3.944 1.00 60.99 22 A 1 ATOM 184 N N . SER A 1 23 ? 13.126 3.251 -5.459 1.00 86.27 23 A 1 ATOM 185 C CA . SER A 1 23 ? 14.212 2.513 -4.826 1.00 84.38 23 A 1 ATOM 186 C C . SER A 1 23 ? 15.507 2.675 -5.619 1.00 78.64 23 A 1 ATOM 187 O O . SER A 1 23 ? 16.545 2.992 -5.009 1.00 71.58 23 A 1 ATOM 188 C CB . SER A 1 23 ? 13.852 1.040 -4.674 1.00 77.31 23 A 1 ATOM 189 O OG . SER A 1 23 ? 14.821 0.400 -3.868 1.00 67.65 23 A 1 ATOM 190 O OXT . SER A 1 23 ? 15.454 2.455 -6.821 1.00 70.46 23 A 1 #