# 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_spkb36266 # _entry.id spkb36266 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 TYR 2 1 n LYS 3 1 n ASN 4 1 n GLY 5 1 n PHE 6 1 n PHE 7 1 n LYS 8 1 n ASN 9 1 n TYR 10 1 n LEU 11 1 n SER 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n ILE 16 1 n PHE 17 1 n LEU 18 1 n VAL 19 1 n ILE 20 1 n ALA 21 # _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 @ 2025-07-03 06:22:10)" _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 88.74 _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 75.80 1 1 A TYR 2 2 72.64 1 2 A LYS 3 2 77.19 1 3 A ASN 4 2 82.51 1 4 A GLY 5 2 89.26 1 5 A PHE 6 2 87.48 1 6 A PHE 7 2 88.16 1 7 A LYS 8 2 87.28 1 8 A ASN 9 2 91.12 1 9 A TYR 10 2 91.23 1 10 A LEU 11 2 93.59 1 11 A SER 12 2 95.11 1 12 A LEU 13 2 93.45 1 13 A LEU 14 2 94.02 1 14 A LEU 15 2 93.82 1 15 A ILE 16 2 94.96 1 16 A PHE 17 2 92.60 1 17 A LEU 18 2 94.89 1 18 A VAL 19 2 95.34 1 19 A ILE 20 2 94.32 1 20 A ALA 21 2 89.12 1 21 # _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 TYR . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -17.024 2.534 9.419 1.00 81.36 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.646 2.978 9.717 1.00 82.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.713 2.381 8.667 1.00 82.31 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.526 1.172 8.645 1.00 77.26 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.270 2.545 11.140 1.00 77.69 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.247 3.480 11.786 1.00 73.94 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.173 3.219 13.572 1.00 68.46 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.925 4.426 14.046 1.00 62.84 1 A 1 ATOM 9 N N . TYR A 1 2 ? -14.204 3.192 7.757 1.00 80.67 2 A 1 ATOM 10 C CA . TYR A 1 2 ? -13.353 2.713 6.666 1.00 81.39 2 A 1 ATOM 11 C C . TYR A 1 2 ? -11.951 2.394 7.206 1.00 82.52 2 A 1 ATOM 12 O O . TYR A 1 2 ? -11.381 3.187 7.958 1.00 79.86 2 A 1 ATOM 13 C CB . TYR A 1 2 ? -13.324 3.757 5.545 1.00 77.84 2 A 1 ATOM 14 C CG . TYR A 1 2 ? -13.427 3.161 4.155 1.00 70.68 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? -14.656 2.676 3.685 1.00 70.36 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? -12.301 3.096 3.327 1.00 68.69 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? -14.762 2.134 2.398 1.00 62.82 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? -12.397 2.550 2.038 1.00 68.02 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? -13.631 2.076 1.573 1.00 66.07 2 A 1 ATOM 20 O OH . TYR A 1 2 ? -13.722 1.547 0.312 1.00 62.77 2 A 1 ATOM 21 N N . LYS A 1 3 ? -11.407 1.234 6.834 1.00 84.11 3 A 1 ATOM 22 C CA . LYS A 1 3 ? -10.049 0.818 7.222 1.00 85.52 3 A 1 ATOM 23 C C . LYS A 1 3 ? -9.005 1.602 6.409 1.00 86.86 3 A 1 ATOM 24 O O . LYS A 1 3 ? -8.258 1.039 5.619 1.00 84.67 3 A 1 ATOM 25 C CB . LYS A 1 3 ? -9.905 -0.704 7.051 1.00 83.05 3 A 1 ATOM 26 C CG . LYS A 1 3 ? -10.211 -1.496 8.327 1.00 75.90 3 A 1 ATOM 27 C CD . LYS A 1 3 ? -8.921 -1.867 9.065 1.00 72.97 3 A 1 ATOM 28 C CE . LYS A 1 3 ? -9.192 -2.878 10.178 1.00 63.82 3 A 1 ATOM 29 N NZ . LYS A 1 3 ? -7.939 -3.421 10.765 1.00 57.84 3 A 1 ATOM 30 N N . ASN A 1 4 ? -8.965 2.914 6.601 1.00 85.85 4 A 1 ATOM 31 C CA . ASN A 1 4 ? -8.029 3.793 5.899 1.00 87.86 4 A 1 ATOM 32 C C . ASN A 1 4 ? -6.571 3.507 6.301 1.00 89.75 4 A 1 ATOM 33 O O . ASN A 1 4 ? -5.651 3.832 5.561 1.00 87.79 4 A 1 ATOM 34 C CB . ASN A 1 4 ? -8.433 5.251 6.174 1.00 84.50 4 A 1 ATOM 35 C CG . ASN A 1 4 ? -7.945 6.197 5.091 1.00 78.80 4 A 1 ATOM 36 O OD1 . ASN A 1 4 ? -7.318 5.816 4.128 1.00 73.20 4 A 1 ATOM 37 N ND2 . ASN A 1 4 ? -8.250 7.470 5.229 1.00 72.30 4 A 1 ATOM 38 N N . GLY A 1 5 ? -6.367 2.861 7.444 1.00 87.90 5 A 1 ATOM 39 C CA . GLY A 1 5 ? -5.034 2.467 7.898 1.00 89.02 5 A 1 ATOM 40 C C . GLY A 1 5 ? -4.348 1.490 6.948 1.00 91.26 5 A 1 ATOM 41 O O . GLY A 1 5 ? -3.147 1.605 6.712 1.00 88.86 5 A 1 ATOM 42 N N . PHE A 1 6 ? -5.108 0.548 6.355 1.00 92.00 6 A 1 ATOM 43 C CA . PHE A 1 6 ? -4.561 -0.409 5.390 1.00 92.89 6 A 1 ATOM 44 C C . PHE A 1 6 ? -4.125 0.295 4.103 1.00 94.48 6 A 1 ATOM 45 O O . PHE A 1 6 ? -3.031 0.041 3.600 1.00 94.40 6 A 1 ATOM 46 C CB . PHE A 1 6 ? -5.601 -1.495 5.115 1.00 91.87 6 A 1 ATOM 47 C CG . PHE A 1 6 ? -5.038 -2.627 4.285 1.00 87.14 6 A 1 ATOM 48 C CD1 . PHE A 1 6 ? -4.195 -3.580 4.873 1.00 83.42 6 A 1 ATOM 49 C CD2 . PHE A 1 6 ? -5.337 -2.721 2.923 1.00 84.21 6 A 1 ATOM 50 C CE1 . PHE A 1 6 ? -3.649 -4.617 4.115 1.00 80.71 6 A 1 ATOM 51 C CE2 . PHE A 1 6 ? -4.789 -3.760 2.148 1.00 82.00 6 A 1 ATOM 52 C CZ . PHE A 1 6 ? -3.946 -4.705 2.747 1.00 79.18 6 A 1 ATOM 53 N N . PHE A 1 7 ? -4.945 1.234 3.594 1.00 93.28 7 A 1 ATOM 54 C CA . PHE A 1 7 ? -4.594 2.045 2.427 1.00 94.17 7 A 1 ATOM 55 C C . PHE A 1 7 ? -3.363 2.910 2.699 1.00 95.29 7 A 1 ATOM 56 O O . PHE A 1 7 ? -2.482 3.021 1.854 1.00 95.36 7 A 1 ATOM 57 C CB . PHE A 1 7 ? -5.783 2.924 2.038 1.00 93.63 7 A 1 ATOM 58 C CG . PHE A 1 7 ? -6.624 2.296 0.950 1.00 88.46 7 A 1 ATOM 59 C CD1 . PHE A 1 7 ? -6.242 2.440 -0.388 1.00 83.77 7 A 1 ATOM 60 C CD2 . PHE A 1 7 ? -7.772 1.565 1.269 1.00 83.93 7 A 1 ATOM 61 C CE1 . PHE A 1 7 ? -7.004 1.866 -1.410 1.00 80.65 7 A 1 ATOM 62 C CE2 . PHE A 1 7 ? -8.542 0.982 0.253 1.00 82.22 7 A 1 ATOM 63 C CZ . PHE A 1 7 ? -8.158 1.137 -1.088 1.00 78.96 7 A 1 ATOM 64 N N . LYS A 1 8 ? -3.279 3.488 3.883 1.00 94.08 8 A 1 ATOM 65 C CA . LYS A 1 8 ? -2.136 4.305 4.295 1.00 94.54 8 A 1 ATOM 66 C C . LYS A 1 8 ? -0.849 3.467 4.335 1.00 95.61 8 A 1 ATOM 67 O O . LYS A 1 8 ? 0.177 3.907 3.817 1.00 95.26 8 A 1 ATOM 68 C CB . LYS A 1 8 ? -2.455 4.941 5.653 1.00 93.71 8 A 1 ATOM 69 C CG . LYS A 1 8 ? -1.787 6.303 5.833 1.00 87.25 8 A 1 ATOM 70 C CD . LYS A 1 8 ? -0.328 6.202 6.261 1.00 81.64 8 A 1 ATOM 71 C CE . LYS A 1 8 ? 0.277 7.582 6.496 1.00 75.59 8 A 1 ATOM 72 N NZ . LYS A 1 8 ? 1.706 7.482 6.843 1.00 67.87 8 A 1 ATOM 73 N N . ASN A 1 9 ? -0.918 2.256 4.879 1.00 94.41 9 A 1 ATOM 74 C CA . ASN A 1 9 ? 0.224 1.345 4.918 1.00 95.22 9 A 1 ATOM 75 C C . ASN A 1 9 ? 0.637 0.902 3.513 1.00 96.22 9 A 1 ATOM 76 O O . ASN A 1 9 ? 1.824 0.871 3.209 1.00 95.45 9 A 1 ATOM 77 C CB . ASN A 1 9 ? -0.122 0.131 5.784 1.00 93.71 9 A 1 ATOM 78 C CG . ASN A 1 9 ? -0.022 0.429 7.264 1.00 89.06 9 A 1 ATOM 79 O OD1 . ASN A 1 9 ? 0.613 1.367 7.705 1.00 81.93 9 A 1 ATOM 80 N ND2 . ASN A 1 9 ? -0.643 -0.388 8.084 1.00 82.92 9 A 1 ATOM 81 N N . TYR A 1 10 ? -0.342 0.590 2.646 1.00 94.75 10 A 1 ATOM 82 C CA . TYR A 1 10 ? -0.070 0.188 1.264 1.00 95.39 10 A 1 ATOM 83 C C . TYR A 1 10 ? 0.600 1.321 0.479 1.00 96.00 10 A 1 ATOM 84 O O . TYR A 1 10 ? 1.611 1.099 -0.188 1.00 95.47 10 A 1 ATOM 85 C CB . TYR A 1 10 ? -1.386 -0.241 0.610 1.00 94.94 10 A 1 ATOM 86 C CG . TYR A 1 10 ? -1.164 -0.940 -0.711 1.00 92.10 10 A 1 ATOM 87 C CD1 . TYR A 1 10 ? -1.223 -0.224 -1.916 1.00 87.66 10 A 1 ATOM 88 C CD2 . TYR A 1 10 ? -0.870 -2.313 -0.733 1.00 88.66 10 A 1 ATOM 89 C CE1 . TYR A 1 10 ? -0.994 -0.871 -3.134 1.00 86.81 10 A 1 ATOM 90 C CE2 . TYR A 1 10 ? -0.637 -2.969 -1.951 1.00 88.79 10 A 1 ATOM 91 C CZ . TYR A 1 10 ? -0.701 -2.241 -3.146 1.00 88.27 10 A 1 ATOM 92 O OH . TYR A 1 10 ? -0.466 -2.882 -4.340 1.00 85.92 10 A 1 ATOM 93 N N . LEU A 1 11 ? 0.085 2.538 0.605 1.00 96.21 11 A 1 ATOM 94 C CA . LEU A 1 11 ? 0.662 3.711 -0.047 1.00 96.15 11 A 1 ATOM 95 C C . LEU A 1 11 ? 2.059 4.019 0.503 1.00 96.76 11 A 1 ATOM 96 O O . LEU A 1 11 ? 2.962 4.329 -0.268 1.00 97.23 11 A 1 ATOM 97 C CB . LEU A 1 11 ? -0.283 4.902 0.155 1.00 96.04 11 A 1 ATOM 98 C CG . LEU A 1 11 ? 0.067 6.091 -0.750 1.00 91.15 11 A 1 ATOM 99 C CD1 . LEU A 1 11 ? -0.377 5.837 -2.192 1.00 86.59 11 A 1 ATOM 100 C CD2 . LEU A 1 11 ? -0.629 7.350 -0.240 1.00 88.61 11 A 1 ATOM 101 N N . SER A 1 12 ? 2.263 3.911 1.806 1.00 95.93 12 A 1 ATOM 102 C CA . SER A 1 12 ? 3.569 4.099 2.435 1.00 96.43 12 A 1 ATOM 103 C C . SER A 1 12 ? 4.576 3.060 1.948 1.00 97.00 12 A 1 ATOM 104 O O . SER A 1 12 ? 5.705 3.421 1.655 1.00 96.38 12 A 1 ATOM 105 C CB . SER A 1 12 ? 3.455 4.017 3.955 1.00 95.78 12 A 1 ATOM 106 O OG . SER A 1 12 ? 2.951 5.230 4.474 1.00 89.16 12 A 1 ATOM 107 N N . LEU A 1 13 ? 4.170 1.797 1.819 1.00 95.92 13 A 1 ATOM 108 C CA . LEU A 1 13 ? 5.037 0.740 1.298 1.00 95.99 13 A 1 ATOM 109 C C . LEU A 1 13 ? 5.469 1.032 -0.139 1.00 96.67 13 A 1 ATOM 110 O O . LEU A 1 13 ? 6.650 0.900 -0.450 1.00 96.83 13 A 1 ATOM 111 C CB . LEU A 1 13 ? 4.306 -0.606 1.377 1.00 95.79 13 A 1 ATOM 112 C CG . LEU A 1 13 ? 4.437 -1.270 2.750 1.00 90.08 13 A 1 ATOM 113 C CD1 . LEU A 1 13 ? 3.338 -2.306 2.945 1.00 87.05 13 A 1 ATOM 114 C CD2 . LEU A 1 13 ? 5.790 -1.971 2.886 1.00 89.31 13 A 1 ATOM 115 N N . LEU A 1 14 ? 4.546 1.468 -0.996 1.00 95.91 14 A 1 ATOM 116 C CA . LEU A 1 14 ? 4.868 1.856 -2.372 1.00 95.92 14 A 1 ATOM 117 C C . LEU A 1 14 ? 5.830 3.045 -2.406 1.00 96.72 14 A 1 ATOM 118 O O . LEU A 1 14 ? 6.788 3.042 -3.174 1.00 97.12 14 A 1 ATOM 119 C CB . LEU A 1 14 ? 3.585 2.203 -3.137 1.00 95.77 14 A 1 ATOM 120 C CG . LEU A 1 14 ? 3.235 1.156 -4.199 1.00 91.74 14 A 1 ATOM 121 C CD1 . LEU A 1 14 ? 2.334 0.071 -3.618 1.00 88.66 14 A 1 ATOM 122 C CD2 . LEU A 1 14 ? 2.526 1.816 -5.372 1.00 90.33 14 A 1 ATOM 123 N N . LEU A 1 15 ? 5.583 4.047 -1.569 1.00 96.38 15 A 1 ATOM 124 C CA . LEU A 1 15 ? 6.426 5.241 -1.500 1.00 96.35 15 A 1 ATOM 125 C C . LEU A 1 15 ? 7.836 4.894 -1.012 1.00 97.01 15 A 1 ATOM 126 O O . LEU A 1 15 ? 8.819 5.341 -1.594 1.00 97.20 15 A 1 ATOM 127 C CB . LEU A 1 15 ? 5.769 6.275 -0.572 1.00 96.14 15 A 1 ATOM 128 C CG . LEU A 1 15 ? 6.042 7.710 -1.038 1.00 91.09 15 A 1 ATOM 129 C CD1 . LEU A 1 15 ? 4.836 8.248 -1.817 1.00 87.27 15 A 1 ATOM 130 C CD2 . LEU A 1 15 ? 6.296 8.623 0.155 1.00 89.14 15 A 1 ATOM 131 N N . ILE A 1 16 ? 7.930 4.076 0.033 1.00 96.32 16 A 1 ATOM 132 C CA . ILE A 1 16 ? 9.212 3.613 0.584 1.00 96.15 16 A 1 ATOM 133 C C . ILE A 1 16 ? 9.966 2.796 -0.466 1.00 96.74 16 A 1 ATOM 134 O O . ILE A 1 16 ? 11.171 2.982 -0.639 1.00 96.33 16 A 1 ATOM 135 C CB . ILE A 1 16 ? 8.965 2.806 1.876 1.00 95.83 16 A 1 ATOM 136 C CG1 . ILE A 1 16 ? 8.509 3.742 3.020 1.00 94.23 16 A 1 ATOM 137 C CG2 . ILE A 1 16 ? 10.227 2.050 2.325 1.00 93.39 16 A 1 ATOM 138 C CD1 . ILE A 1 16 ? 7.861 2.993 4.181 1.00 90.71 16 A 1 ATOM 139 N N . PHE A 1 17 ? 9.265 1.925 -1.199 1.00 96.49 17 A 1 ATOM 140 C CA . PHE A 1 17 ? 9.865 1.141 -2.277 1.00 96.25 17 A 1 ATOM 141 C C . PHE A 1 17 ? 10.452 2.051 -3.366 1.00 96.91 17 A 1 ATOM 142 O O . PHE A 1 17 ? 11.562 1.815 -3.827 1.00 96.52 17 A 1 ATOM 143 C CB . PHE A 1 17 ? 8.807 0.193 -2.846 1.00 95.72 17 A 1 ATOM 144 C CG . PHE A 1 17 ? 9.395 -0.824 -3.791 1.00 92.41 17 A 1 ATOM 145 C CD1 . PHE A 1 17 ? 9.406 -0.589 -5.171 1.00 88.35 17 A 1 ATOM 146 C CD2 . PHE A 1 17 ? 9.956 -2.001 -3.281 1.00 90.04 17 A 1 ATOM 147 C CE1 . PHE A 1 17 ? 9.974 -1.527 -6.043 1.00 88.29 17 A 1 ATOM 148 C CE2 . PHE A 1 17 ? 10.525 -2.941 -4.150 1.00 88.55 17 A 1 ATOM 149 C CZ . PHE A 1 17 ? 10.537 -2.703 -5.532 1.00 89.02 17 A 1 ATOM 150 N N . LEU A 1 18 ? 9.747 3.118 -3.737 1.00 97.09 18 A 1 ATOM 151 C CA . LEU A 1 18 ? 10.226 4.091 -4.727 1.00 97.13 18 A 1 ATOM 152 C C . LEU A 1 18 ? 11.402 4.930 -4.213 1.00 97.54 18 A 1 ATOM 153 O O . LEU A 1 18 ? 12.196 5.420 -5.015 1.00 97.30 18 A 1 ATOM 154 C CB . LEU A 1 18 ? 9.056 5.007 -5.117 1.00 96.93 18 A 1 ATOM 155 C CG . LEU A 1 18 ? 8.104 4.364 -6.133 1.00 93.59 18 A 1 ATOM 156 C CD1 . LEU A 1 18 ? 6.763 5.096 -6.125 1.00 89.35 18 A 1 ATOM 157 C CD2 . LEU A 1 18 ? 8.684 4.433 -7.544 1.00 90.20 18 A 1 ATOM 158 N N . VAL A 1 19 ? 11.513 5.123 -2.903 1.00 97.10 19 A 1 ATOM 159 C CA . VAL A 1 19 ? 12.601 5.910 -2.300 1.00 97.13 19 A 1 ATOM 160 C C . VAL A 1 19 ? 13.853 5.056 -2.077 1.00 97.33 19 A 1 ATOM 161 O O . VAL A 1 19 ? 14.970 5.564 -2.201 1.00 96.41 19 A 1 ATOM 162 C CB . VAL A 1 19 ? 12.122 6.556 -0.983 1.00 96.35 19 A 1 ATOM 163 C CG1 . VAL A 1 19 ? 13.255 7.226 -0.203 1.00 91.66 19 A 1 ATOM 164 C CG2 . VAL A 1 19 ? 11.071 7.633 -1.266 1.00 91.37 19 A 1 ATOM 165 N N . ILE A 1 20 ? 13.671 3.776 -1.743 1.00 97.05 20 A 1 ATOM 166 C CA . ILE A 1 20 ? 14.787 2.859 -1.462 1.00 97.11 20 A 1 ATOM 167 C C . ILE A 1 20 ? 15.294 2.182 -2.739 1.00 97.29 20 A 1 ATOM 168 O O . ILE A 1 20 ? 16.496 1.953 -2.868 1.00 96.87 20 A 1 ATOM 169 C CB . ILE A 1 20 ? 14.371 1.824 -0.396 1.00 96.22 20 A 1 ATOM 170 C CG1 . ILE A 1 20 ? 14.076 2.522 0.945 1.00 92.36 20 A 1 ATOM 171 C CG2 . ILE A 1 20 ? 15.475 0.768 -0.187 1.00 89.88 20 A 1 ATOM 172 C CD1 . ILE A 1 20 ? 13.497 1.583 2.011 1.00 87.80 20 A 1 ATOM 173 N N . ALA A 1 21 ? 14.396 1.863 -3.661 1.00 94.45 21 A 1 ATOM 174 C CA . ALA A 1 21 ? 14.707 1.139 -4.887 1.00 93.38 21 A 1 ATOM 175 C C . ALA A 1 21 ? 14.358 1.939 -6.144 1.00 91.02 21 A 1 ATOM 176 O O . ALA A 1 21 ? 13.346 2.677 -6.121 1.00 88.08 21 A 1 ATOM 177 C CB . ALA A 1 21 ? 13.998 -0.216 -4.870 1.00 89.78 21 A 1 ATOM 178 O OXT . ALA A 1 21 ? 15.077 1.787 -7.159 1.00 78.00 21 A 1 #