# 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_spkb31484 # _entry.id spkb31484 # 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" "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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" # _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 LEU 3 1 n SER 4 1 n CYS 5 1 n SER 6 1 n ILE 7 1 n PHE 8 1 n ARG 9 1 n LEU 10 1 n PHE 11 1 n CYS 12 1 n ILE 13 1 n ILE 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n GLN 18 1 n LEU 19 1 n GLY 20 1 n SER 21 1 n ILE 22 1 n TYR 23 1 n THR 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 @ 2025-07-13 07:44:27)" _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 88.62 _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 75.74 1 1 A LEU 2 2 78.76 1 2 A LEU 3 2 83.76 1 3 A SER 4 2 87.03 1 4 A CYS 5 2 88.90 1 5 A SER 6 2 91.04 1 6 A ILE 7 2 92.62 1 7 A PHE 8 2 91.26 1 8 A ARG 9 2 84.44 1 9 A LEU 10 2 91.09 1 10 A PHE 11 2 90.57 1 11 A CYS 12 2 92.14 1 12 A ILE 13 2 92.88 1 13 A ILE 14 2 93.87 1 14 A LEU 15 2 91.67 1 15 A LEU 16 2 92.79 1 16 A LEU 17 2 93.71 1 17 A GLN 18 2 87.99 1 18 A LEU 19 2 92.40 1 19 A GLY 20 2 92.64 1 20 A SER 21 2 89.93 1 21 A ILE 22 2 88.02 1 22 A TYR 23 2 85.70 1 23 A THR 24 2 82.89 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 LEU . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n TYR . 23 A 23 A 24 1 n THR . 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 ? -9.437 -8.070 -14.896 1.00 81.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.670 -8.753 -13.823 1.00 85.35 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.368 -8.038 -13.458 1.00 86.36 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.073 -7.929 -12.278 1.00 81.87 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.417 -10.227 -14.178 1.00 77.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.599 -11.079 -13.711 1.00 70.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.429 -12.816 -14.171 1.00 64.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.893 -13.613 -12.622 1.00 59.20 1 A 1 ATOM 9 N N . LEU A 1 2 ? -6.626 -7.493 -14.427 1.00 81.42 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -5.348 -6.810 -14.153 1.00 84.40 2 A 1 ATOM 11 C C . LEU A 1 2 ? -5.518 -5.514 -13.348 1.00 87.27 2 A 1 ATOM 12 O O . LEU A 1 2 ? -4.699 -5.226 -12.476 1.00 84.99 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -4.634 -6.535 -15.489 1.00 80.73 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -4.142 -7.811 -16.191 1.00 72.09 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -3.716 -7.476 -17.622 1.00 68.92 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -2.950 -8.427 -15.463 1.00 70.25 2 A 1 ATOM 17 N N . LEU A 1 3 ? -6.599 -4.761 -13.582 1.00 88.70 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -6.858 -3.496 -12.888 1.00 88.80 3 A 1 ATOM 19 C C . LEU A 1 3 ? -7.017 -3.693 -11.375 1.00 90.60 3 A 1 ATOM 20 O O . LEU A 1 3 ? -6.408 -2.964 -10.590 1.00 90.78 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -8.110 -2.841 -13.498 1.00 87.23 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -8.135 -1.322 -13.266 1.00 78.05 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -7.340 -0.607 -14.363 1.00 72.36 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -9.573 -0.808 -13.295 1.00 73.57 3 A 1 ATOM 25 N N . SER A 1 4 ? -7.773 -4.702 -10.960 1.00 88.78 4 A 1 ATOM 26 C CA . SER A 1 4 ? -7.974 -5.023 -9.541 1.00 89.73 4 A 1 ATOM 27 C C . SER A 1 4 ? -6.669 -5.436 -8.856 1.00 90.19 4 A 1 ATOM 28 O O . SER A 1 4 ? -6.427 -5.045 -7.717 1.00 89.64 4 A 1 ATOM 29 C CB . SER A 1 4 ? -9.006 -6.143 -9.392 1.00 87.33 4 A 1 ATOM 30 O OG . SER A 1 4 ? -10.179 -5.842 -10.121 1.00 76.52 4 A 1 ATOM 31 N N . CYS A 1 5 ? -5.810 -6.167 -9.551 1.00 91.14 5 A 1 ATOM 32 C CA . CYS A 1 5 ? -4.498 -6.563 -9.036 1.00 91.79 5 A 1 ATOM 33 C C . CYS A 1 5 ? -3.573 -5.347 -8.858 1.00 93.28 5 A 1 ATOM 34 O O . CYS A 1 5 ? -2.897 -5.228 -7.839 1.00 91.89 5 A 1 ATOM 35 C CB . CYS A 1 5 ? -3.898 -7.608 -9.983 1.00 87.52 5 A 1 ATOM 36 S SG . CYS A 1 5 ? -2.444 -8.371 -9.212 1.00 77.76 5 A 1 ATOM 37 N N . SER A 1 6 ? -3.587 -4.402 -9.812 1.00 92.46 6 A 1 ATOM 38 C CA . SER A 1 6 ? -2.813 -3.159 -9.720 1.00 93.31 6 A 1 ATOM 39 C C . SER A 1 6 ? -3.285 -2.269 -8.568 1.00 94.09 6 A 1 ATOM 40 O O . SER A 1 6 ? -2.455 -1.758 -7.819 1.00 93.24 6 A 1 ATOM 41 C CB . SER A 1 6 ? -2.893 -2.388 -11.034 1.00 91.21 6 A 1 ATOM 42 O OG . SER A 1 6 ? -2.342 -3.166 -12.082 1.00 81.92 6 A 1 ATOM 43 N N . ILE A 1 7 ? -4.599 -2.125 -8.384 1.00 94.30 7 A 1 ATOM 44 C CA . ILE A 1 7 ? -5.181 -1.360 -7.270 1.00 94.78 7 A 1 ATOM 45 C C . ILE A 1 7 ? -4.809 -2.002 -5.934 1.00 95.15 7 A 1 ATOM 46 O O . ILE A 1 7 ? -4.375 -1.306 -5.016 1.00 94.88 7 A 1 ATOM 47 C CB . ILE A 1 7 ? -6.708 -1.238 -7.432 1.00 94.43 7 A 1 ATOM 48 C CG1 . ILE A 1 7 ? -7.046 -0.360 -8.656 1.00 91.48 7 A 1 ATOM 49 C CG2 . ILE A 1 7 ? -7.358 -0.635 -6.170 1.00 90.33 7 A 1 ATOM 50 C CD1 . ILE A 1 7 ? -8.509 -0.466 -9.094 1.00 85.58 7 A 1 ATOM 51 N N . PHE A 1 8 ? -4.926 -3.328 -5.834 1.00 94.84 8 A 1 ATOM 52 C CA . PHE A 1 8 ? -4.547 -4.056 -4.625 1.00 94.48 8 A 1 ATOM 53 C C . PHE A 1 8 ? -3.060 -3.879 -4.299 1.00 95.22 8 A 1 ATOM 54 O O . PHE A 1 8 ? -2.699 -3.633 -3.150 1.00 94.69 8 A 1 ATOM 55 C CB . PHE A 1 8 ? -4.898 -5.532 -4.801 1.00 94.06 8 A 1 ATOM 56 C CG . PHE A 1 8 ? -4.653 -6.337 -3.547 1.00 91.58 8 A 1 ATOM 57 C CD1 . PHE A 1 8 ? -3.490 -7.109 -3.408 1.00 88.96 8 A 1 ATOM 58 C CD2 . PHE A 1 8 ? -5.584 -6.283 -2.497 1.00 88.85 8 A 1 ATOM 59 C CE1 . PHE A 1 8 ? -3.260 -7.830 -2.228 1.00 86.74 8 A 1 ATOM 60 C CE2 . PHE A 1 8 ? -5.352 -7.000 -1.315 1.00 86.86 8 A 1 ATOM 61 C CZ . PHE A 1 8 ? -4.191 -7.772 -1.182 1.00 87.54 8 A 1 ATOM 62 N N . ARG A 1 9 ? -2.202 -3.913 -5.313 1.00 95.31 9 A 1 ATOM 63 C CA . ARG A 1 9 ? -0.760 -3.702 -5.136 1.00 94.94 9 A 1 ATOM 64 C C . ARG A 1 9 ? -0.442 -2.285 -4.663 1.00 95.50 9 A 1 ATOM 65 O O . ARG A 1 9 ? 0.371 -2.123 -3.756 1.00 94.04 9 A 1 ATOM 66 C CB . ARG A 1 9 ? -0.044 -4.054 -6.444 1.00 94.09 9 A 1 ATOM 67 C CG . ARG A 1 9 ? 1.448 -4.277 -6.218 1.00 85.03 9 A 1 ATOM 68 C CD . ARG A 1 9 ? 2.089 -4.769 -7.511 1.00 83.98 9 A 1 ATOM 69 N NE . ARG A 1 9 ? 3.478 -5.210 -7.280 1.00 78.22 9 A 1 ATOM 70 C CZ . ARG A 1 9 ? 4.235 -5.844 -8.155 1.00 72.99 9 A 1 ATOM 71 N NH1 . ARG A 1 9 ? 3.819 -6.114 -9.367 1.00 67.14 9 A 1 ATOM 72 N NH2 . ARG A 1 9 ? 5.440 -6.220 -7.823 1.00 67.56 9 A 1 ATOM 73 N N . LEU A 1 10 ? -1.112 -1.269 -5.226 1.00 94.26 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -0.988 0.117 -4.770 1.00 94.38 10 A 1 ATOM 75 C C . LEU A 1 10 ? -1.468 0.271 -3.325 1.00 95.40 10 A 1 ATOM 76 O O . LEU A 1 10 ? -0.781 0.901 -2.523 1.00 94.83 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -1.790 1.037 -5.700 1.00 93.86 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -1.111 1.280 -7.056 1.00 86.45 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -2.101 1.949 -8.008 1.00 83.89 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 0.110 2.185 -6.914 1.00 85.65 10 A 1 ATOM 81 N N . PHE A 1 11 ? -2.594 -0.354 -2.977 1.00 94.60 11 A 1 ATOM 82 C CA . PHE A 1 11 ? -3.105 -0.359 -1.609 1.00 94.28 11 A 1 ATOM 83 C C . PHE A 1 11 ? -2.100 -0.977 -0.629 1.00 95.02 11 A 1 ATOM 84 O O . PHE A 1 11 ? -1.815 -0.375 0.404 1.00 94.11 11 A 1 ATOM 85 C CB . PHE A 1 11 ? -4.442 -1.100 -1.578 1.00 94.08 11 A 1 ATOM 86 C CG . PHE A 1 11 ? -5.037 -1.171 -0.194 1.00 91.06 11 A 1 ATOM 87 C CD1 . PHE A 1 11 ? -4.889 -2.333 0.582 1.00 87.05 11 A 1 ATOM 88 C CD2 . PHE A 1 11 ? -5.698 -0.056 0.334 1.00 87.87 11 A 1 ATOM 89 C CE1 . PHE A 1 11 ? -5.409 -2.385 1.883 1.00 85.57 11 A 1 ATOM 90 C CE2 . PHE A 1 11 ? -6.219 -0.103 1.640 1.00 85.70 11 A 1 ATOM 91 C CZ . PHE A 1 11 ? -6.074 -1.264 2.412 1.00 86.92 11 A 1 ATOM 92 N N . CYS A 1 12 ? -1.503 -2.111 -0.974 1.00 94.16 12 A 1 ATOM 93 C CA . CYS A 1 12 ? -0.468 -2.728 -0.144 1.00 94.00 12 A 1 ATOM 94 C C . CYS A 1 12 ? 0.755 -1.821 0.035 1.00 94.46 12 A 1 ATOM 95 O O . CYS A 1 12 ? 1.283 -1.734 1.138 1.00 93.21 12 A 1 ATOM 96 C CB . CYS A 1 12 ? -0.034 -4.062 -0.764 1.00 92.33 12 A 1 ATOM 97 S SG . CYS A 1 12 ? -1.327 -5.310 -0.542 1.00 84.71 12 A 1 ATOM 98 N N . ILE A 1 13 ? 1.194 -1.128 -1.016 1.00 94.82 13 A 1 ATOM 99 C CA . ILE A 1 13 ? 2.330 -0.197 -0.939 1.00 94.42 13 A 1 ATOM 100 C C . ILE A 1 13 ? 1.998 0.973 -0.011 1.00 94.95 13 A 1 ATOM 101 O O . ILE A 1 13 ? 2.808 1.310 0.851 1.00 93.97 13 A 1 ATOM 102 C CB . ILE A 1 13 ? 2.739 0.282 -2.348 1.00 94.26 13 A 1 ATOM 103 C CG1 . ILE A 1 13 ? 3.354 -0.884 -3.153 1.00 92.19 13 A 1 ATOM 104 C CG2 . ILE A 1 13 ? 3.753 1.442 -2.270 1.00 91.51 13 A 1 ATOM 105 C CD1 . ILE A 1 13 ? 3.419 -0.616 -4.659 1.00 86.88 13 A 1 ATOM 106 N N . ILE A 1 14 ? 0.818 1.565 -0.152 1.00 95.47 14 A 1 ATOM 107 C CA . ILE A 1 14 ? 0.370 2.674 0.703 1.00 94.77 14 A 1 ATOM 108 C C . ILE A 1 14 ? 0.277 2.217 2.161 1.00 94.76 14 A 1 ATOM 109 O O . ILE A 1 14 ? 0.749 2.919 3.057 1.00 93.73 14 A 1 ATOM 110 C CB . ILE A 1 14 ? -0.975 3.233 0.194 1.00 94.86 14 A 1 ATOM 111 C CG1 . ILE A 1 14 ? -0.787 3.919 -1.181 1.00 93.90 14 A 1 ATOM 112 C CG2 . ILE A 1 14 ? -1.579 4.242 1.193 1.00 93.23 14 A 1 ATOM 113 C CD1 . ILE A 1 14 ? -2.103 4.128 -1.938 1.00 90.23 14 A 1 ATOM 114 N N . LEU A 1 15 ? -0.284 1.033 2.403 1.00 95.51 15 A 1 ATOM 115 C CA . LEU A 1 15 ? -0.390 0.461 3.740 1.00 94.76 15 A 1 ATOM 116 C C . LEU A 1 15 ? 0.994 0.238 4.364 1.00 95.07 15 A 1 ATOM 117 O O . LEU A 1 15 ? 1.221 0.618 5.510 1.00 94.39 15 A 1 ATOM 118 C CB . LEU A 1 15 ? -1.176 -0.856 3.649 1.00 94.43 15 A 1 ATOM 119 C CG . LEU A 1 15 ? -1.639 -1.355 5.029 1.00 88.43 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? -3.089 -0.935 5.291 1.00 84.45 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? -1.557 -2.879 5.101 1.00 86.35 15 A 1 ATOM 122 N N . LEU A 1 16 ? 1.935 -0.321 3.613 1.00 95.89 16 A 1 ATOM 123 C CA . LEU A 1 16 ? 3.314 -0.521 4.065 1.00 95.24 16 A 1 ATOM 124 C C . LEU A 1 16 ? 4.016 0.808 4.339 1.00 95.44 16 A 1 ATOM 125 O O . LEU A 1 16 ? 4.746 0.913 5.324 1.00 94.68 16 A 1 ATOM 126 C CB . LEU A 1 16 ? 4.091 -1.321 3.007 1.00 94.63 16 A 1 ATOM 127 C CG . LEU A 1 16 ? 3.734 -2.816 2.963 1.00 90.86 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? 4.354 -3.449 1.711 1.00 87.27 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? 4.260 -3.566 4.187 1.00 88.28 16 A 1 ATOM 130 N N . LEU A 1 17 ? 3.779 1.829 3.518 1.00 96.13 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 4.341 3.163 3.717 1.00 95.67 17 A 1 ATOM 132 C C . LEU A 1 17 ? 3.800 3.808 4.997 1.00 95.87 17 A 1 ATOM 133 O O . LEU A 1 17 ? 4.571 4.376 5.770 1.00 94.95 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 4.024 4.024 2.483 1.00 95.35 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 4.932 5.257 2.382 1.00 93.40 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 6.256 4.893 1.703 1.00 88.79 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 4.253 6.347 1.558 1.00 89.49 17 A 1 ATOM 138 N N . GLN A 1 18 ? 2.492 3.689 5.242 1.00 95.59 18 A 1 ATOM 139 C CA . GLN A 1 18 ? 1.870 4.199 6.466 1.00 95.14 18 A 1 ATOM 140 C C . GLN A 1 18 ? 2.382 3.463 7.704 1.00 95.26 18 A 1 ATOM 141 O O . GLN A 1 18 ? 2.754 4.113 8.680 1.00 92.77 18 A 1 ATOM 142 C CB . GLN A 1 18 ? 0.344 4.078 6.384 1.00 94.42 18 A 1 ATOM 143 C CG . GLN A 1 18 ? -0.257 5.155 5.464 1.00 87.87 18 A 1 ATOM 144 C CD . GLN A 1 18 ? -1.778 5.232 5.571 1.00 82.12 18 A 1 ATOM 145 O OE1 . GLN A 1 18 ? -2.441 4.455 6.243 1.00 76.46 18 A 1 ATOM 146 N NE2 . GLN A 1 18 ? -2.400 6.189 4.922 1.00 72.32 18 A 1 ATOM 147 N N . LEU A 1 19 ? 2.460 2.143 7.659 1.00 95.52 19 A 1 ATOM 148 C CA . LEU A 1 19 ? 3.030 1.353 8.748 1.00 95.10 19 A 1 ATOM 149 C C . LEU A 1 19 ? 4.496 1.732 8.978 1.00 95.24 19 A 1 ATOM 150 O O . LEU A 1 19 ? 4.877 1.997 10.116 1.00 93.91 19 A 1 ATOM 151 C CB . LEU A 1 19 ? 2.890 -0.142 8.428 1.00 94.54 19 A 1 ATOM 152 C CG . LEU A 1 19 ? 1.445 -0.666 8.520 1.00 92.40 19 A 1 ATOM 153 C CD1 . LEU A 1 19 ? 1.386 -2.088 7.963 1.00 86.13 19 A 1 ATOM 154 C CD2 . LEU A 1 19 ? 0.932 -0.699 9.960 1.00 86.35 19 A 1 ATOM 155 N N . GLY A 1 20 ? 5.292 1.839 7.918 1.00 93.49 20 A 1 ATOM 156 C CA . GLY A 1 20 ? 6.678 2.299 8.008 1.00 92.45 20 A 1 ATOM 157 C C . GLY A 1 20 ? 6.798 3.671 8.667 1.00 93.23 20 A 1 ATOM 158 O O . GLY A 1 20 ? 7.653 3.848 9.529 1.00 91.39 20 A 1 ATOM 159 N N . SER A 1 21 ? 5.911 4.610 8.345 1.00 92.86 21 A 1 ATOM 160 C CA . SER A 1 21 ? 5.880 5.942 8.964 1.00 93.39 21 A 1 ATOM 161 C C . SER A 1 21 ? 5.466 5.928 10.436 1.00 93.21 21 A 1 ATOM 162 O O . SER A 1 21 ? 5.809 6.859 11.156 1.00 90.54 21 A 1 ATOM 163 C CB . SER A 1 21 ? 4.925 6.850 8.191 1.00 91.45 21 A 1 ATOM 164 O OG . SER A 1 21 ? 4.972 8.169 8.708 1.00 78.13 21 A 1 ATOM 165 N N . ILE A 1 22 ? 4.711 4.926 10.883 1.00 92.03 22 A 1 ATOM 166 C CA . ILE A 1 22 ? 4.307 4.777 12.290 1.00 92.01 22 A 1 ATOM 167 C C . ILE A 1 22 ? 5.429 4.124 13.104 1.00 92.04 22 A 1 ATOM 168 O O . ILE A 1 22 ? 5.578 4.413 14.288 1.00 89.69 22 A 1 ATOM 169 C CB . ILE A 1 22 ? 2.989 3.980 12.383 1.00 91.02 22 A 1 ATOM 170 C CG1 . ILE A 1 22 ? 1.823 4.775 11.757 1.00 86.58 22 A 1 ATOM 171 C CG2 . ILE A 1 22 ? 2.633 3.630 13.845 1.00 82.66 22 A 1 ATOM 172 C CD1 . ILE A 1 22 ? 0.587 3.916 11.454 1.00 78.13 22 A 1 ATOM 173 N N . TYR A 1 23 ? 6.209 3.250 12.465 1.00 91.00 23 A 1 ATOM 174 C CA . TYR A 1 23 ? 7.319 2.551 13.122 1.00 90.59 23 A 1 ATOM 175 C C . TYR A 1 23 ? 8.642 3.342 13.112 1.00 90.16 23 A 1 ATOM 176 O O . TYR A 1 23 ? 9.616 2.877 13.701 1.00 87.36 23 A 1 ATOM 177 C CB . TYR A 1 23 ? 7.491 1.163 12.486 1.00 89.62 23 A 1 ATOM 178 C CG . TYR A 1 23 ? 6.376 0.180 12.798 1.00 86.52 23 A 1 ATOM 179 C CD1 . TYR A 1 23 ? 6.158 -0.239 14.124 1.00 82.72 23 A 1 ATOM 180 C CD2 . TYR A 1 23 ? 5.564 -0.329 11.774 1.00 82.04 23 A 1 ATOM 181 C CE1 . TYR A 1 23 ? 5.128 -1.144 14.424 1.00 81.42 23 A 1 ATOM 182 C CE2 . TYR A 1 23 ? 4.527 -1.240 12.061 1.00 82.98 23 A 1 ATOM 183 C CZ . TYR A 1 23 ? 4.307 -1.641 13.391 1.00 83.15 23 A 1 ATOM 184 O OH . TYR A 1 23 ? 3.288 -2.510 13.680 1.00 80.89 23 A 1 ATOM 185 N N . THR A 1 24 ? 8.700 4.509 12.462 1.00 90.56 24 A 1 ATOM 186 C CA . THR A 1 24 ? 9.857 5.426 12.489 1.00 90.06 24 A 1 ATOM 187 C C . THR A 1 24 ? 9.565 6.644 13.350 1.00 86.84 24 A 1 ATOM 188 O O . THR A 1 24 ? 10.462 7.035 14.111 1.00 81.46 24 A 1 ATOM 189 C CB . THR A 1 24 ? 10.251 5.900 11.085 1.00 85.56 24 A 1 ATOM 190 O OG1 . THR A 1 24 ? 9.128 6.428 10.405 1.00 75.49 24 A 1 ATOM 191 C CG2 . THR A 1 24 ? 10.847 4.784 10.245 1.00 77.21 24 A 1 ATOM 192 O OXT . THR A 1 24 ? 8.461 7.196 13.227 1.00 75.93 24 A 1 #