# 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_spkb38688 # _entry.id spkb38688 # 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" "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" "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 MET 2 1 n PHE 3 1 n ARG 4 1 n LEU 5 1 n THR 6 1 n SER 7 1 n VAL 8 1 n SER 9 1 n CYS 10 1 n PHE 11 1 n LEU 12 1 n LEU 13 1 n VAL 14 1 n ILE 15 1 n VAL 16 1 n CYS 17 1 n LEU 18 1 n ASN 19 1 n LEU 20 1 n PHE 21 1 n GLN 22 1 n VAL 23 1 n VAL 24 1 n LEU 25 1 n THR 26 # _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 @ 2025-07-06 22:58:59)" _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 86.13 _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 66.69 1 1 A MET 2 2 68.95 1 2 A PHE 3 2 67.27 1 3 A ARG 4 2 72.10 1 4 A LEU 5 2 74.81 1 5 A THR 6 2 81.82 1 6 A SER 7 2 86.27 1 7 A VAL 8 2 88.20 1 8 A SER 9 2 88.45 1 9 A CYS 10 2 90.43 1 10 A PHE 11 2 89.60 1 11 A LEU 12 2 90.08 1 12 A LEU 13 2 90.84 1 13 A VAL 14 2 93.96 1 14 A ILE 15 2 94.11 1 15 A VAL 16 2 95.76 1 16 A CYS 17 2 94.54 1 17 A LEU 18 2 93.62 1 18 A ASN 19 2 92.49 1 19 A LEU 20 2 92.72 1 20 A PHE 21 2 91.47 1 21 A GLN 22 2 89.09 1 22 A VAL 23 2 94.12 1 23 A VAL 24 2 93.97 1 24 A LEU 25 2 89.65 1 25 A THR 26 2 84.79 1 26 # _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 MET . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n THR . 26 A 26 # _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 ? -16.097 -3.347 16.783 1.00 69.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.471 -4.294 15.834 1.00 73.57 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.709 -3.560 14.717 1.00 75.25 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.024 -3.732 13.551 1.00 73.04 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.542 -5.220 15.228 1.00 69.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.146 -6.203 16.239 1.00 62.52 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.373 -7.270 15.437 1.00 57.48 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.753 -8.409 16.779 1.00 52.10 1 A 1 ATOM 9 N N . MET A 1 2 ? -13.741 -2.720 15.039 1.00 71.69 2 A 1 ATOM 10 C CA . MET A 1 2 ? -13.024 -1.884 14.058 1.00 74.82 2 A 1 ATOM 11 C C . MET A 1 2 ? -11.584 -2.350 13.769 1.00 75.74 2 A 1 ATOM 12 O O . MET A 1 2 ? -10.922 -1.776 12.915 1.00 75.45 2 A 1 ATOM 13 C CB . MET A 1 2 ? -13.068 -0.413 14.499 1.00 72.36 2 A 1 ATOM 14 C CG . MET A 1 2 ? -14.428 0.223 14.171 1.00 65.51 2 A 1 ATOM 15 S SD . MET A 1 2 ? -14.521 1.970 14.620 1.00 60.88 2 A 1 ATOM 16 C CE . MET A 1 2 ? -15.886 2.507 13.563 1.00 55.19 2 A 1 ATOM 17 N N . PHE A 1 3 ? -11.117 -3.415 14.411 1.00 74.91 3 A 1 ATOM 18 C CA . PHE A 1 3 ? -9.731 -3.884 14.260 1.00 75.56 3 A 1 ATOM 19 C C . PHE A 1 3 ? -9.388 -4.370 12.841 1.00 77.73 3 A 1 ATOM 20 O O . PHE A 1 3 ? -8.230 -4.306 12.430 1.00 76.84 3 A 1 ATOM 21 C CB . PHE A 1 3 ? -9.469 -4.992 15.280 1.00 73.94 3 A 1 ATOM 22 C CG . PHE A 1 3 ? -9.485 -4.491 16.703 1.00 66.49 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? -8.379 -3.789 17.204 1.00 63.08 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? -10.601 -4.706 17.525 1.00 61.75 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? -8.385 -3.308 18.516 1.00 56.19 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? -10.613 -4.222 18.841 1.00 58.42 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? -9.501 -3.523 19.335 1.00 55.06 3 A 1 ATOM 28 N N . ARG A 1 4 ? -10.395 -4.824 12.062 1.00 80.63 4 A 1 ATOM 29 C CA . ARG A 1 4 ? -10.169 -5.256 10.670 1.00 83.25 4 A 1 ATOM 30 C C . ARG A 1 4 ? -9.870 -4.076 9.740 1.00 83.19 4 A 1 ATOM 31 O O . ARG A 1 4 ? -9.109 -4.239 8.793 1.00 80.90 4 A 1 ATOM 32 C CB . ARG A 1 4 ? -11.370 -6.070 10.154 1.00 82.06 4 A 1 ATOM 33 C CG . ARG A 1 4 ? -11.497 -7.423 10.868 1.00 72.99 4 A 1 ATOM 34 C CD . ARG A 1 4 ? -12.549 -8.299 10.180 1.00 71.46 4 A 1 ATOM 35 N NE . ARG A 1 4 ? -12.692 -9.612 10.843 1.00 66.35 4 A 1 ATOM 36 C CZ . ARG A 1 4 ? -13.480 -10.596 10.438 1.00 60.40 4 A 1 ATOM 37 N NH1 . ARG A 1 4 ? -14.226 -10.490 9.370 1.00 57.13 4 A 1 ATOM 38 N NH2 . ARG A 1 4 ? -13.532 -11.711 11.108 1.00 54.69 4 A 1 ATOM 39 N N . LEU A 1 5 ? -10.408 -2.903 10.003 1.00 77.72 5 A 1 ATOM 40 C CA . LEU A 1 5 ? -10.191 -1.705 9.198 1.00 78.67 5 A 1 ATOM 41 C C . LEU A 1 5 ? -8.734 -1.237 9.296 1.00 80.47 5 A 1 ATOM 42 O O . LEU A 1 5 ? -8.139 -0.874 8.283 1.00 79.82 5 A 1 ATOM 43 C CB . LEU A 1 5 ? -11.169 -0.614 9.659 1.00 77.17 5 A 1 ATOM 44 C CG . LEU A 1 5 ? -11.193 0.610 8.728 1.00 70.34 5 A 1 ATOM 45 C CD1 . LEU A 1 5 ? -11.885 0.307 7.403 1.00 66.98 5 A 1 ATOM 46 C CD2 . LEU A 1 5 ? -11.940 1.751 9.415 1.00 67.35 5 A 1 ATOM 47 N N . THR A 1 6 ? -8.148 -1.306 10.477 1.00 85.14 6 A 1 ATOM 48 C CA . THR A 1 6 ? -6.751 -0.912 10.702 1.00 85.84 6 A 1 ATOM 49 C C . THR A 1 6 ? -5.783 -1.778 9.900 1.00 86.85 6 A 1 ATOM 50 O O . THR A 1 6 ? -4.847 -1.254 9.300 1.00 85.06 6 A 1 ATOM 51 C CB . THR A 1 6 ? -6.409 -1.002 12.194 1.00 84.45 6 A 1 ATOM 52 O OG1 . THR A 1 6 ? -7.422 -0.387 12.960 1.00 73.77 6 A 1 ATOM 53 C CG2 . THR A 1 6 ? -5.098 -0.301 12.519 1.00 71.64 6 A 1 ATOM 54 N N . SER A 1 7 ? -6.027 -3.077 9.830 1.00 87.78 7 A 1 ATOM 55 C CA . SER A 1 7 ? -5.195 -3.997 9.048 1.00 88.90 7 A 1 ATOM 56 C C . SER A 1 7 ? -5.289 -3.709 7.544 1.00 89.74 7 A 1 ATOM 57 O O . SER A 1 7 ? -4.266 -3.612 6.872 1.00 89.11 7 A 1 ATOM 58 C CB . SER A 1 7 ? -5.604 -5.439 9.347 1.00 86.75 7 A 1 ATOM 59 O OG . SER A 1 7 ? -4.726 -6.334 8.712 1.00 75.36 7 A 1 ATOM 60 N N . VAL A 1 8 ? -6.497 -3.498 7.027 1.00 89.91 8 A 1 ATOM 61 C CA . VAL A 1 8 ? -6.717 -3.161 5.611 1.00 90.61 8 A 1 ATOM 62 C C . VAL A 1 8 ? -6.129 -1.788 5.277 1.00 91.79 8 A 1 ATOM 63 O O . VAL A 1 8 ? -5.452 -1.646 4.260 1.00 91.02 8 A 1 ATOM 64 C CB . VAL A 1 8 ? -8.216 -3.225 5.264 1.00 89.43 8 A 1 ATOM 65 C CG1 . VAL A 1 8 ? -8.502 -2.756 3.835 1.00 81.76 8 A 1 ATOM 66 C CG2 . VAL A 1 8 ? -8.734 -4.657 5.397 1.00 82.87 8 A 1 ATOM 67 N N . SER A 1 9 ? -6.320 -0.807 6.133 1.00 89.72 9 A 1 ATOM 68 C CA . SER A 1 9 ? -5.761 0.533 5.957 1.00 90.39 9 A 1 ATOM 69 C C . SER A 1 9 ? -4.228 0.510 5.947 1.00 91.55 9 A 1 ATOM 70 O O . SER A 1 9 ? -3.614 1.124 5.076 1.00 91.37 9 A 1 ATOM 71 C CB . SER A 1 9 ? -6.274 1.451 7.066 1.00 88.98 9 A 1 ATOM 72 O OG . SER A 1 9 ? -5.806 2.765 6.868 1.00 78.66 9 A 1 ATOM 73 N N . CYS A 1 10 ? -3.623 -0.234 6.848 1.00 91.20 10 A 1 ATOM 74 C CA . CYS A 1 10 ? -2.171 -0.408 6.885 1.00 92.60 10 A 1 ATOM 75 C C . CYS A 1 10 ? -1.658 -1.097 5.610 1.00 93.96 10 A 1 ATOM 76 O O . CYS A 1 10 ? -0.680 -0.646 5.018 1.00 92.92 10 A 1 ATOM 77 C CB . CYS A 1 10 ? -1.809 -1.204 8.144 1.00 90.74 10 A 1 ATOM 78 S SG . CYS A 1 10 ? -0.012 -1.273 8.336 1.00 81.17 10 A 1 ATOM 79 N N . PHE A 1 11 ? -2.347 -2.131 5.145 1.00 91.38 11 A 1 ATOM 80 C CA . PHE A 1 11 ? -1.986 -2.839 3.918 1.00 92.82 11 A 1 ATOM 81 C C . PHE A 1 11 ? -2.075 -1.934 2.679 1.00 94.46 11 A 1 ATOM 82 O O . PHE A 1 11 ? -1.146 -1.904 1.870 1.00 94.34 11 A 1 ATOM 83 C CB . PHE A 1 11 ? -2.886 -4.069 3.787 1.00 92.55 11 A 1 ATOM 84 C CG . PHE A 1 11 ? -2.456 -4.993 2.677 1.00 89.91 11 A 1 ATOM 85 C CD1 . PHE A 1 11 ? -3.174 -5.045 1.476 1.00 86.98 11 A 1 ATOM 86 C CD2 . PHE A 1 11 ? -1.321 -5.803 2.851 1.00 87.77 11 A 1 ATOM 87 C CE1 . PHE A 1 11 ? -2.770 -5.909 0.450 1.00 84.46 11 A 1 ATOM 88 C CE2 . PHE A 1 11 ? -0.914 -6.665 1.819 1.00 85.47 11 A 1 ATOM 89 C CZ . PHE A 1 11 ? -1.638 -6.714 0.624 1.00 85.45 11 A 1 ATOM 90 N N . LEU A 1 12 ? -3.141 -1.143 2.570 1.00 92.76 12 A 1 ATOM 91 C CA . LEU A 1 12 ? -3.294 -0.164 1.494 1.00 93.34 12 A 1 ATOM 92 C C . LEU A 1 12 ? -2.194 0.902 1.542 1.00 94.61 12 A 1 ATOM 93 O O . LEU A 1 12 ? -1.629 1.238 0.504 1.00 94.55 12 A 1 ATOM 94 C CB . LEU A 1 12 ? -4.678 0.493 1.592 1.00 92.69 12 A 1 ATOM 95 C CG . LEU A 1 12 ? -5.836 -0.420 1.168 1.00 85.03 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? -7.162 0.257 1.523 1.00 82.65 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? -5.829 -0.698 -0.332 1.00 85.01 12 A 1 ATOM 98 N N . LEU A 1 13 ? -1.859 1.384 2.722 1.00 94.04 13 A 1 ATOM 99 C CA . LEU A 1 13 ? -0.775 2.344 2.900 1.00 94.34 13 A 1 ATOM 100 C C . LEU A 1 13 ? 0.561 1.764 2.423 1.00 95.40 13 A 1 ATOM 101 O O . LEU A 1 13 ? 1.294 2.432 1.699 1.00 95.48 13 A 1 ATOM 102 C CB . LEU A 1 13 ? -0.718 2.757 4.377 1.00 93.85 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 0.322 3.853 4.663 1.00 85.62 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? -0.084 5.197 4.054 1.00 82.69 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 0.470 4.025 6.173 1.00 85.29 13 A 1 ATOM 106 N N . VAL A 1 14 ? 0.857 0.521 2.774 1.00 95.13 14 A 1 ATOM 107 C CA . VAL A 1 14 ? 2.074 -0.170 2.337 1.00 95.49 14 A 1 ATOM 108 C C . VAL A 1 14 ? 2.114 -0.314 0.813 1.00 96.34 14 A 1 ATOM 109 O O . VAL A 1 14 ? 3.148 -0.026 0.212 1.00 95.78 14 A 1 ATOM 110 C CB . VAL A 1 14 ? 2.206 -1.534 3.038 1.00 94.32 14 A 1 ATOM 111 C CG1 . VAL A 1 14 ? 3.342 -2.380 2.459 1.00 89.80 14 A 1 ATOM 112 C CG2 . VAL A 1 14 ? 2.510 -1.338 4.524 1.00 90.88 14 A 1 ATOM 113 N N . ILE A 1 15 ? 1.011 -0.682 0.176 1.00 95.84 15 A 1 ATOM 114 C CA . ILE A 1 15 ? 0.932 -0.779 -1.288 1.00 95.73 15 A 1 ATOM 115 C C . ILE A 1 15 ? 1.208 0.578 -1.940 1.00 96.09 15 A 1 ATOM 116 O O . ILE A 1 15 ? 1.994 0.652 -2.883 1.00 95.61 15 A 1 ATOM 117 C CB . ILE A 1 15 ? -0.437 -1.338 -1.722 1.00 95.60 15 A 1 ATOM 118 C CG1 . ILE A 1 15 ? -0.540 -2.827 -1.345 1.00 92.79 15 A 1 ATOM 119 C CG2 . ILE A 1 15 ? -0.652 -1.175 -3.240 1.00 92.65 15 A 1 ATOM 120 C CD1 . ILE A 1 15 ? -1.957 -3.371 -1.440 1.00 88.59 15 A 1 ATOM 121 N N . VAL A 1 16 ? 0.599 1.642 -1.443 1.00 97.35 16 A 1 ATOM 122 C CA . VAL A 1 16 ? 0.813 2.994 -1.974 1.00 96.98 16 A 1 ATOM 123 C C . VAL A 1 16 ? 2.272 3.417 -1.804 1.00 97.22 16 A 1 ATOM 124 O O . VAL A 1 16 ? 2.875 3.914 -2.757 1.00 96.59 16 A 1 ATOM 125 C CB . VAL A 1 16 ? -0.150 3.998 -1.313 1.00 96.53 16 A 1 ATOM 126 C CG1 . VAL A 1 16 ? 0.168 5.446 -1.694 1.00 92.53 16 A 1 ATOM 127 C CG2 . VAL A 1 16 ? -1.591 3.719 -1.748 1.00 93.10 16 A 1 ATOM 128 N N . CYS A 1 17 ? 2.862 3.176 -0.649 1.00 96.16 17 A 1 ATOM 129 C CA . CYS A 1 17 ? 4.268 3.488 -0.405 1.00 95.98 17 A 1 ATOM 130 C C . CYS A 1 17 ? 5.202 2.693 -1.327 1.00 95.93 17 A 1 ATOM 131 O O . CYS A 1 17 ? 6.134 3.268 -1.884 1.00 95.00 17 A 1 ATOM 132 C CB . CYS A 1 17 ? 4.605 3.211 1.068 1.00 95.66 17 A 1 ATOM 133 S SG . CYS A 1 17 ? 3.844 4.445 2.155 1.00 88.51 17 A 1 ATOM 134 N N . LEU A 1 18 ? 4.938 1.413 -1.527 1.00 96.35 18 A 1 ATOM 135 C CA . LEU A 1 18 ? 5.720 0.573 -2.434 1.00 95.92 18 A 1 ATOM 136 C C . LEU A 1 18 ? 5.589 1.041 -3.882 1.00 96.25 18 A 1 ATOM 137 O O . LEU A 1 18 ? 6.598 1.125 -4.577 1.00 95.79 18 A 1 ATOM 138 C CB . LEU A 1 18 ? 5.272 -0.888 -2.298 1.00 95.72 18 A 1 ATOM 139 C CG . LEU A 1 18 ? 5.734 -1.562 -0.997 1.00 91.14 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? 5.065 -2.928 -0.880 1.00 88.20 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? 7.246 -1.760 -0.957 1.00 89.62 18 A 1 ATOM 142 N N . ASN A 1 19 ? 4.393 1.397 -4.320 1.00 96.11 19 A 1 ATOM 143 C CA . ASN A 1 19 ? 4.169 1.897 -5.672 1.00 95.82 19 A 1 ATOM 144 C C . ASN A 1 19 ? 4.905 3.221 -5.909 1.00 96.21 19 A 1 ATOM 145 O O . ASN A 1 19 ? 5.599 3.373 -6.915 1.00 95.58 19 A 1 ATOM 146 C CB . ASN A 1 19 ? 2.656 2.029 -5.894 1.00 95.31 19 A 1 ATOM 147 C CG . ASN A 1 19 ? 2.334 2.274 -7.354 1.00 90.60 19 A 1 ATOM 148 O OD1 . ASN A 1 19 ? 3.019 1.840 -8.255 1.00 84.16 19 A 1 ATOM 149 N ND2 . ASN A 1 19 ? 1.250 2.951 -7.637 1.00 86.13 19 A 1 ATOM 150 N N . LEU A 1 20 ? 4.826 4.149 -4.959 1.00 96.42 20 A 1 ATOM 151 C CA . LEU A 1 20 ? 5.569 5.409 -5.028 1.00 96.03 20 A 1 ATOM 152 C C . LEU A 1 20 ? 7.081 5.164 -5.041 1.00 96.17 20 A 1 ATOM 153 O O . LEU A 1 20 ? 7.796 5.769 -5.838 1.00 95.58 20 A 1 ATOM 154 C CB . LEU A 1 20 ? 5.187 6.297 -3.833 1.00 95.75 20 A 1 ATOM 155 C CG . LEU A 1 20 ? 3.777 6.897 -3.911 1.00 89.63 20 A 1 ATOM 156 C CD1 . LEU A 1 20 ? 3.454 7.589 -2.583 1.00 85.15 20 A 1 ATOM 157 C CD2 . LEU A 1 20 ? 3.642 7.928 -5.029 1.00 87.05 20 A 1 ATOM 158 N N . PHE A 1 21 ? 7.555 4.250 -4.211 1.00 96.60 21 A 1 ATOM 159 C CA . PHE A 1 21 ? 8.965 3.893 -4.168 1.00 96.30 21 A 1 ATOM 160 C C . PHE A 1 21 ? 9.436 3.270 -5.490 1.00 96.59 21 A 1 ATOM 161 O O . PHE A 1 21 ? 10.504 3.627 -5.978 1.00 95.89 21 A 1 ATOM 162 C CB . PHE A 1 21 ? 9.202 2.951 -2.987 1.00 95.81 21 A 1 ATOM 163 C CG . PHE A 1 21 ? 10.666 2.682 -2.747 1.00 92.11 21 A 1 ATOM 164 C CD1 . PHE A 1 21 ? 11.264 1.512 -3.235 1.00 86.93 21 A 1 ATOM 165 C CD2 . PHE A 1 21 ? 11.442 3.623 -2.056 1.00 87.45 21 A 1 ATOM 166 C CE1 . PHE A 1 21 ? 12.632 1.283 -3.026 1.00 85.36 21 A 1 ATOM 167 C CE2 . PHE A 1 21 ? 12.810 3.394 -1.846 1.00 86.60 21 A 1 ATOM 168 C CZ . PHE A 1 21 ? 13.402 2.224 -2.331 1.00 86.57 21 A 1 ATOM 169 N N . GLN A 1 22 ? 8.623 2.405 -6.099 1.00 96.47 22 A 1 ATOM 170 C CA . GLN A 1 22 ? 8.924 1.824 -7.413 1.00 96.10 22 A 1 ATOM 171 C C . GLN A 1 22 ? 9.022 2.896 -8.499 1.00 96.26 22 A 1 ATOM 172 O O . GLN A 1 22 ? 9.980 2.893 -9.265 1.00 94.58 22 A 1 ATOM 173 C CB . GLN A 1 22 ? 7.847 0.796 -7.783 1.00 95.08 22 A 1 ATOM 174 C CG . GLN A 1 22 ? 7.975 -0.502 -6.970 1.00 86.89 22 A 1 ATOM 175 C CD . GLN A 1 22 ? 8.439 -1.670 -7.847 1.00 83.30 22 A 1 ATOM 176 O OE1 . GLN A 1 22 ? 7.850 -2.000 -8.863 1.00 79.39 22 A 1 ATOM 177 N NE2 . GLN A 1 22 ? 9.500 -2.340 -7.479 1.00 73.72 22 A 1 ATOM 178 N N . VAL A 1 23 ? 8.099 3.847 -8.524 1.00 96.57 23 A 1 ATOM 179 C CA . VAL A 1 23 ? 8.114 4.954 -9.494 1.00 96.13 23 A 1 ATOM 180 C C . VAL A 1 23 ? 9.348 5.842 -9.326 1.00 96.46 23 A 1 ATOM 181 O O . VAL A 1 23 ? 9.874 6.352 -10.312 1.00 95.51 23 A 1 ATOM 182 C CB . VAL A 1 23 ? 6.825 5.786 -9.373 1.00 95.22 23 A 1 ATOM 183 C CG1 . VAL A 1 23 ? 6.847 7.059 -10.224 1.00 89.26 23 A 1 ATOM 184 C CG2 . VAL A 1 23 ? 5.613 4.965 -9.823 1.00 89.69 23 A 1 ATOM 185 N N . VAL A 1 24 ? 9.820 6.022 -8.108 1.00 96.26 24 A 1 ATOM 186 C CA . VAL A 1 24 ? 11.040 6.806 -7.844 1.00 96.12 24 A 1 ATOM 187 C C . VAL A 1 24 ? 12.306 6.007 -8.175 1.00 96.01 24 A 1 ATOM 188 O O . VAL A 1 24 ? 13.319 6.594 -8.562 1.00 95.24 24 A 1 ATOM 189 C CB . VAL A 1 24 ? 11.048 7.295 -6.381 1.00 95.52 24 A 1 ATOM 190 C CG1 . VAL A 1 24 ? 12.353 7.990 -5.979 1.00 89.64 24 A 1 ATOM 191 C CG2 . VAL A 1 24 ? 9.920 8.312 -6.153 1.00 88.99 24 A 1 ATOM 192 N N . LEU A 1 25 ? 12.246 4.692 -8.017 1.00 94.67 25 A 1 ATOM 193 C CA . LEU A 1 25 ? 13.395 3.821 -8.243 1.00 94.45 25 A 1 ATOM 194 C C . LEU A 1 25 ? 13.614 3.508 -9.731 1.00 93.94 25 A 1 ATOM 195 O O . LEU A 1 25 ? 14.761 3.304 -10.143 1.00 93.25 25 A 1 ATOM 196 C CB . LEU A 1 25 ? 13.183 2.535 -7.423 1.00 93.33 25 A 1 ATOM 197 C CG . LEU A 1 25 ? 14.464 1.692 -7.275 1.00 86.81 25 A 1 ATOM 198 C CD1 . LEU A 1 25 ? 15.390 2.277 -6.198 1.00 80.88 25 A 1 ATOM 199 C CD2 . LEU A 1 25 ? 14.104 0.262 -6.863 1.00 79.87 25 A 1 ATOM 200 N N . THR A 1 26 ? 12.545 3.451 -10.513 1.00 93.52 26 A 1 ATOM 201 C CA . THR A 1 26 ? 12.574 3.129 -11.955 1.00 92.57 26 A 1 ATOM 202 C C . THR A 1 26 ? 12.379 4.367 -12.809 1.00 88.20 26 A 1 ATOM 203 O O . THR A 1 26 ? 13.097 4.487 -13.819 1.00 82.98 26 A 1 ATOM 204 C CB . THR A 1 26 ? 11.505 2.092 -12.320 1.00 89.17 26 A 1 ATOM 205 O OG1 . THR A 1 26 ? 10.221 2.526 -11.900 1.00 74.85 26 A 1 ATOM 206 C CG2 . THR A 1 26 ? 11.772 0.735 -11.681 1.00 78.87 26 A 1 ATOM 207 O OXT . THR A 1 26 ? 11.502 5.172 -12.458 1.00 78.20 26 A 1 #