# 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_spkb26764 # _entry.id spkb26764 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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" "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" "C4 H9 N O2" 103.120 UNK y UNKNOWN CC[C@@H](C(=O)O)N ? "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 GLY 3 1 n ILE 4 1 n GLU 5 1 n TYR 6 1 n THR 7 1 n THR 8 1 n ILE 9 1 n LEU 10 1 n THR 11 1 n UNK 12 1 n LEU 13 1 n ILE 14 1 n SER 15 1 n LEU 16 1 n ILE 17 1 n PHE 18 1 n ILE 19 1 n THR 20 1 n TYR 21 1 n ILE 22 1 n LEU 23 1 n LYS 24 1 n SER 25 1 n ILE 26 1 n THR 27 1 n ARG 28 1 n THR 29 1 n MET 30 1 n ASP 31 1 n PHE 32 1 n ILE 33 1 n ILE 34 1 n TYR 35 1 n ARG 36 1 n PHE 37 1 n LEU 38 1 n PHE 39 1 n VAL 40 1 n ILE 41 1 n VAL 42 1 n VAL 43 1 n LEU 44 1 n ALA 45 1 n PRO 46 1 n PHE 47 1 n VAL 48 1 n LYS 49 1 n THR 50 # _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 @ 2025-07-12 13:35:03)" _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 82.15 _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 74.19 1 1 A TYR 2 2 70.69 1 2 A GLY 3 2 78.85 1 3 A ILE 4 2 75.11 1 4 A GLU 5 2 78.39 1 5 A TYR 6 2 80.15 1 6 A THR 7 2 85.92 1 7 A THR 8 2 86.62 1 8 A ILE 9 2 87.30 1 9 A LEU 10 2 87.22 1 10 A THR 11 2 88.98 1 11 A UNK 12 2 93.50 1 12 A LEU 13 2 86.97 1 13 A ILE 14 2 90.70 1 14 A SER 15 2 90.83 1 15 A LEU 16 2 88.50 1 16 A ILE 17 2 91.02 1 17 A PHE 18 2 80.42 1 18 A ILE 19 2 90.06 1 19 A THR 20 2 87.50 1 20 A TYR 21 2 81.70 1 21 A ILE 22 2 89.63 1 22 A LEU 23 2 84.21 1 23 A LYS 24 2 82.78 1 24 A SER 25 2 87.15 1 25 A ILE 26 2 90.28 1 26 A THR 27 2 88.73 1 27 A ARG 28 2 78.10 1 28 A THR 29 2 88.60 1 29 A MET 30 2 81.94 1 30 A ASP 31 2 83.53 1 31 A PHE 32 2 80.64 1 32 A ILE 33 2 83.90 1 33 A ILE 34 2 83.29 1 34 A TYR 35 2 77.11 1 35 A ARG 36 2 74.32 1 36 A PHE 37 2 75.06 1 37 A LEU 38 2 81.51 1 38 A PHE 39 2 78.69 1 39 A VAL 40 2 82.11 1 40 A ILE 41 2 81.92 1 41 A VAL 42 2 81.90 1 42 A VAL 43 2 81.09 1 43 A LEU 44 2 79.32 1 44 A ALA 45 2 82.34 1 45 A PRO 46 2 85.22 1 46 A PHE 47 2 78.10 1 47 A VAL 48 2 79.37 1 48 A LYS 49 2 71.04 1 49 A THR 50 2 74.82 1 50 # _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 GLY . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n UNK . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n TYR . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n ILE . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n THR . 29 A 29 A 30 1 n MET . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n PHE . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n ARG . 36 A 36 A 37 1 n PHE . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n PHE . 39 A 39 A 40 1 n VAL . 40 A 40 A 41 1 n ILE . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n ALA . 45 A 45 A 46 1 n PRO . 46 A 46 A 47 1 n PHE . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n LYS . 49 A 49 A 50 1 n THR . 50 A 50 # _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 ? 19.537 -2.372 35.556 1.00 78.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? 18.334 -1.557 35.289 1.00 83.88 1 A 1 ATOM 3 C C . MET A 1 1 ? 18.304 -1.004 33.853 1.00 83.60 1 A 1 ATOM 4 O O . MET A 1 1 ? 17.261 -1.087 33.228 1.00 78.13 1 A 1 ATOM 5 C CB . MET A 1 1 ? 18.173 -0.483 36.373 1.00 78.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? 16.710 -0.357 36.826 1.00 70.33 1 A 1 ATOM 7 S SD . MET A 1 1 ? 16.565 0.322 38.499 1.00 62.55 1 A 1 ATOM 8 C CE . MET A 1 1 ? 14.800 0.732 38.545 1.00 57.58 1 A 1 ATOM 9 N N . TYR A 1 2 ? 19.439 -0.599 33.280 1.00 79.48 2 A 1 ATOM 10 C CA . TYR A 1 2 ? 19.544 -0.070 31.904 1.00 81.27 2 A 1 ATOM 11 C C . TYR A 1 2 ? 19.107 -1.037 30.778 1.00 81.43 2 A 1 ATOM 12 O O . TYR A 1 2 ? 18.512 -0.611 29.793 1.00 76.25 2 A 1 ATOM 13 C CB . TYR A 1 2 ? 20.987 0.403 31.685 1.00 78.38 2 A 1 ATOM 14 C CG . TYR A 1 2 ? 21.374 1.570 32.572 1.00 71.70 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? 20.913 2.862 32.242 1.00 67.85 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? 22.159 1.384 33.723 1.00 64.99 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? 21.230 3.962 33.065 1.00 61.74 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? 22.477 2.485 34.552 1.00 62.80 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? 22.010 3.774 34.223 1.00 61.64 2 A 1 ATOM 20 O OH . TYR A 1 2 ? 22.311 4.836 35.019 1.00 60.71 2 A 1 ATOM 21 N N . GLY A 1 3 ? 19.305 -2.355 30.916 1.00 78.84 3 A 1 ATOM 22 C CA . GLY A 1 3 ? 18.969 -3.326 29.857 1.00 80.04 3 A 1 ATOM 23 C C . GLY A 1 3 ? 17.477 -3.409 29.504 1.00 80.00 3 A 1 ATOM 24 O O . GLY A 1 3 ? 17.131 -3.649 28.348 1.00 76.51 3 A 1 ATOM 25 N N . ILE A 1 4 ? 16.582 -3.169 30.465 1.00 80.34 4 A 1 ATOM 26 C CA . ILE A 1 4 ? 15.124 -3.208 30.255 1.00 81.19 4 A 1 ATOM 27 C C . ILE A 1 4 ? 14.664 -1.980 29.453 1.00 81.98 4 A 1 ATOM 28 O O . ILE A 1 4 ? 13.836 -2.103 28.548 1.00 77.99 4 A 1 ATOM 29 C CB . ILE A 1 4 ? 14.390 -3.332 31.613 1.00 78.52 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? 14.803 -4.645 32.326 1.00 71.28 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? 12.865 -3.286 31.419 1.00 67.26 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? 14.262 -4.783 33.757 1.00 62.28 4 A 1 ATOM 33 N N . GLU A 1 5 ? 15.242 -0.811 29.725 1.00 85.71 5 A 1 ATOM 34 C CA . GLU A 1 5 ? 14.925 0.437 29.018 1.00 86.71 5 A 1 ATOM 35 C C . GLU A 1 5 ? 15.330 0.357 27.541 1.00 87.46 5 A 1 ATOM 36 O O . GLU A 1 5 ? 14.503 0.624 26.664 1.00 84.30 5 A 1 ATOM 37 C CB . GLU A 1 5 ? 15.618 1.616 29.713 1.00 83.60 5 A 1 ATOM 38 C CG . GLU A 1 5 ? 15.042 1.861 31.117 1.00 75.78 5 A 1 ATOM 39 C CD . GLU A 1 5 ? 15.725 3.018 31.861 1.00 71.03 5 A 1 ATOM 40 O OE1 . GLU A 1 5 ? 15.263 3.312 32.988 1.00 64.58 5 A 1 ATOM 41 O OE2 . GLU A 1 5 ? 16.729 3.552 31.339 1.00 66.37 5 A 1 ATOM 42 N N . TYR A 1 6 ? 16.545 -0.125 27.238 1.00 89.29 6 A 1 ATOM 43 C CA . TYR A 1 6 ? 16.991 -0.319 25.853 1.00 89.99 6 A 1 ATOM 44 C C . TYR A 1 6 ? 16.122 -1.319 25.091 1.00 90.22 6 A 1 ATOM 45 O O . TYR A 1 6 ? 15.769 -1.073 23.937 1.00 88.87 6 A 1 ATOM 46 C CB . TYR A 1 6 ? 18.458 -0.774 25.823 1.00 87.40 6 A 1 ATOM 47 C CG . TYR A 1 6 ? 19.441 0.326 26.158 1.00 80.18 6 A 1 ATOM 48 C CD1 . TYR A 1 6 ? 19.612 1.401 25.265 1.00 75.35 6 A 1 ATOM 49 C CD2 . TYR A 1 6 ? 20.176 0.286 27.354 1.00 74.37 6 A 1 ATOM 50 C CE1 . TYR A 1 6 ? 20.504 2.443 25.576 1.00 72.53 6 A 1 ATOM 51 C CE2 . TYR A 1 6 ? 21.069 1.327 27.672 1.00 72.70 6 A 1 ATOM 52 C CZ . TYR A 1 6 ? 21.228 2.408 26.782 1.00 70.58 6 A 1 ATOM 53 O OH . TYR A 1 6 ? 22.082 3.427 27.091 1.00 70.27 6 A 1 ATOM 54 N N . THR A 1 7 ? 15.705 -2.425 25.733 1.00 89.72 7 A 1 ATOM 55 C CA . THR A 1 7 ? 14.832 -3.433 25.111 1.00 89.61 7 A 1 ATOM 56 C C . THR A 1 7 ? 13.449 -2.854 24.804 1.00 89.74 7 A 1 ATOM 57 O O . THR A 1 7 ? 12.904 -3.088 23.726 1.00 87.93 7 A 1 ATOM 58 C CB . THR A 1 7 ? 14.698 -4.671 26.010 1.00 88.05 7 A 1 ATOM 59 O OG1 . THR A 1 7 ? 15.972 -5.168 26.349 1.00 79.43 7 A 1 ATOM 60 C CG2 . THR A 1 7 ? 13.964 -5.812 25.313 1.00 76.98 7 A 1 ATOM 61 N N . THR A 1 8 ? 12.904 -2.047 25.710 1.00 90.07 8 A 1 ATOM 62 C CA . THR A 1 8 ? 11.598 -1.393 25.538 1.00 89.94 8 A 1 ATOM 63 C C . THR A 1 8 ? 11.633 -0.370 24.401 1.00 90.61 8 A 1 ATOM 64 O O . THR A 1 8 ? 10.760 -0.385 23.534 1.00 88.88 8 A 1 ATOM 65 C CB . THR A 1 8 ? 11.151 -0.725 26.845 1.00 88.34 8 A 1 ATOM 66 O OG1 . THR A 1 8 ? 11.151 -1.671 27.891 1.00 80.19 8 A 1 ATOM 67 C CG2 . THR A 1 8 ? 9.734 -0.175 26.753 1.00 78.28 8 A 1 ATOM 68 N N . ILE A 1 9 ? 12.668 0.469 24.345 1.00 90.01 9 A 1 ATOM 69 C CA . ILE A 1 9 ? 12.858 1.455 23.270 1.00 90.01 9 A 1 ATOM 70 C C . ILE A 1 9 ? 13.015 0.751 21.917 1.00 90.59 9 A 1 ATOM 71 O O . ILE A 1 9 ? 12.339 1.113 20.952 1.00 89.94 9 A 1 ATOM 72 C CB . ILE A 1 9 ? 14.064 2.369 23.586 1.00 89.13 9 A 1 ATOM 73 C CG1 . ILE A 1 9 ? 13.751 3.256 24.813 1.00 85.71 9 A 1 ATOM 74 C CG2 . ILE A 1 9 ? 14.430 3.251 22.379 1.00 84.25 9 A 1 ATOM 75 C CD1 . ILE A 1 9 ? 14.987 3.932 25.417 1.00 78.74 9 A 1 ATOM 76 N N . LEU A 1 10 ? 13.848 -0.285 21.845 1.00 91.03 10 A 1 ATOM 77 C CA . LEU A 1 10 ? 14.069 -1.047 20.615 1.00 90.97 10 A 1 ATOM 78 C C . LEU A 1 10 ? 12.778 -1.712 20.125 1.00 90.95 10 A 1 ATOM 79 O O . LEU A 1 10 ? 12.449 -1.625 18.943 1.00 92.52 10 A 1 ATOM 80 C CB . LEU A 1 10 ? 15.181 -2.078 20.876 1.00 90.99 10 A 1 ATOM 81 C CG . LEU A 1 10 ? 15.574 -2.899 19.638 1.00 84.14 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? 16.184 -2.022 18.544 1.00 77.25 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? 16.596 -3.962 20.036 1.00 79.90 10 A 1 ATOM 84 N N . THR A 1 11 ? 12.007 -2.324 21.027 1.00 91.99 11 A 1 ATOM 85 C CA . THR A 1 11 ? 10.715 -2.946 20.700 1.00 91.41 11 A 1 ATOM 86 C C . THR A 1 11 ? 9.714 -1.910 20.187 1.00 91.13 11 A 1 ATOM 87 O O . THR A 1 11 ? 9.028 -2.155 19.194 1.00 90.71 11 A 1 ATOM 88 C CB . THR A 1 11 ? 10.139 -3.681 21.919 1.00 90.88 11 A 1 ATOM 89 O OG1 . THR A 1 11 ? 11.064 -4.630 22.394 1.00 84.48 11 A 1 ATOM 90 C CG2 . THR A 1 11 ? 8.866 -4.451 21.585 1.00 82.28 11 A 1 HETATM 91 N N . UNK A 1 12 ? 9.663 -0.729 20.811 1.00 94.13 12 A 1 HETATM 92 C CA . UNK A 1 12 ? 8.829 0.387 20.365 1.00 93.11 12 A 1 HETATM 93 C C . UNK A 1 12 ? 9.188 0.866 18.953 1.00 93.69 12 A 1 HETATM 94 O O . UNK A 1 12 ? 8.301 1.030 18.112 1.00 93.06 12 A 1 ATOM 95 N N . LEU A 1 13 ? 10.481 1.011 18.645 1.00 92.65 13 A 1 ATOM 96 C CA . LEU A 1 13 ? 10.955 1.406 17.313 1.00 92.00 13 A 1 ATOM 97 C C . LEU A 1 13 ? 10.611 0.362 16.245 1.00 92.08 13 A 1 ATOM 98 O O . LEU A 1 13 ? 10.109 0.718 15.179 1.00 92.98 13 A 1 ATOM 99 C CB . LEU A 1 13 ? 12.474 1.641 17.357 1.00 92.81 13 A 1 ATOM 100 C CG . LEU A 1 13 ? 12.898 2.936 18.077 1.00 81.18 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? 14.419 2.948 18.236 1.00 74.45 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? 12.492 4.183 17.290 1.00 77.61 13 A 1 ATOM 103 N N . ILE A 1 14 ? 10.819 -0.928 16.531 1.00 92.46 14 A 1 ATOM 104 C CA . ILE A 1 14 ? 10.469 -2.020 15.610 1.00 91.62 14 A 1 ATOM 105 C C . ILE A 1 14 ? 8.961 -2.032 15.343 1.00 91.22 14 A 1 ATOM 106 O O . ILE A 1 14 ? 8.542 -2.124 14.187 1.00 90.94 14 A 1 ATOM 107 C CB . ILE A 1 14 ? 10.967 -3.373 16.166 1.00 92.56 14 A 1 ATOM 108 C CG1 . ILE A 1 14 ? 12.514 -3.416 16.159 1.00 92.23 14 A 1 ATOM 109 C CG2 . ILE A 1 14 ? 10.410 -4.554 15.347 1.00 90.09 14 A 1 ATOM 110 C CD1 . ILE A 1 14 ? 13.102 -4.570 16.980 1.00 84.45 14 A 1 ATOM 111 N N . SER A 1 15 ? 8.141 -1.884 16.386 1.00 93.16 15 A 1 ATOM 112 C CA . SER A 1 15 ? 6.683 -1.817 16.257 1.00 92.99 15 A 1 ATOM 113 C C . SER A 1 15 ? 6.238 -0.630 15.397 1.00 92.98 15 A 1 ATOM 114 O O . SER A 1 15 ? 5.412 -0.797 14.498 1.00 91.50 15 A 1 ATOM 115 C CB . SER A 1 15 ? 6.052 -1.742 17.649 1.00 92.26 15 A 1 ATOM 116 O OG . SER A 1 15 ? 4.645 -1.819 17.548 1.00 82.07 15 A 1 ATOM 117 N N . LEU A 1 16 ? 6.831 0.550 15.592 1.00 93.45 16 A 1 ATOM 118 C CA . LEU A 1 16 ? 6.524 1.748 14.805 1.00 93.01 16 A 1 ATOM 119 C C . LEU A 1 16 ? 6.868 1.565 13.318 1.00 92.98 16 A 1 ATOM 120 O O . LEU A 1 16 ? 6.064 1.911 12.447 1.00 92.63 16 A 1 ATOM 121 C CB . LEU A 1 16 ? 7.284 2.939 15.415 1.00 93.74 16 A 1 ATOM 122 C CG . LEU A 1 16 ? 6.958 4.286 14.749 1.00 84.90 16 A 1 ATOM 123 C CD1 . LEU A 1 16 ? 5.511 4.710 15.009 1.00 76.83 16 A 1 ATOM 124 C CD2 . LEU A 1 16 ? 7.889 5.366 15.297 1.00 80.44 16 A 1 ATOM 125 N N . ILE A 1 17 ? 8.032 0.985 13.020 1.00 91.94 17 A 1 ATOM 126 C CA . ILE A 1 17 ? 8.447 0.667 11.644 1.00 90.92 17 A 1 ATOM 127 C C . ILE A 1 17 ? 7.463 -0.316 11.011 1.00 90.94 17 A 1 ATOM 128 O O . ILE A 1 17 ? 7.022 -0.108 9.877 1.00 90.77 17 A 1 ATOM 129 C CB . ILE A 1 17 ? 9.891 0.120 11.632 1.00 92.52 17 A 1 ATOM 130 C CG1 . ILE A 1 17 ? 10.889 1.239 12.017 1.00 92.89 17 A 1 ATOM 131 C CG2 . ILE A 1 17 ? 10.264 -0.458 10.250 1.00 91.22 17 A 1 ATOM 132 C CD1 . ILE A 1 17 ? 12.284 0.719 12.380 1.00 86.93 17 A 1 ATOM 133 N N . PHE A 1 18 ? 7.069 -1.356 11.741 1.00 90.66 18 A 1 ATOM 134 C CA . PHE A 1 18 ? 6.141 -2.375 11.260 1.00 88.71 18 A 1 ATOM 135 C C . PHE A 1 18 ? 4.751 -1.801 10.958 1.00 89.14 18 A 1 ATOM 136 O O . PHE A 1 18 ? 4.210 -2.036 9.876 1.00 89.86 18 A 1 ATOM 137 C CB . PHE A 1 18 ? 6.081 -3.501 12.293 1.00 88.60 18 A 1 ATOM 138 C CG . PHE A 1 18 ? 5.274 -4.695 11.835 1.00 80.84 18 A 1 ATOM 139 C CD1 . PHE A 1 18 ? 4.034 -4.987 12.432 1.00 72.69 18 A 1 ATOM 140 C CD2 . PHE A 1 18 ? 5.777 -5.524 10.819 1.00 73.35 18 A 1 ATOM 141 C CE1 . PHE A 1 18 ? 3.307 -6.117 12.022 1.00 69.02 18 A 1 ATOM 142 C CE2 . PHE A 1 18 ? 5.046 -6.651 10.404 1.00 70.21 18 A 1 ATOM 143 C CZ . PHE A 1 18 ? 3.812 -6.950 11.007 1.00 71.56 18 A 1 ATOM 144 N N . ILE A 1 19 ? 4.203 -0.982 11.858 1.00 91.67 19 A 1 ATOM 145 C CA . ILE A 1 19 ? 2.915 -0.300 11.651 1.00 91.19 19 A 1 ATOM 146 C C . ILE A 1 19 ? 2.982 0.608 10.418 1.00 90.64 19 A 1 ATOM 147 O O . ILE A 1 19 ? 2.095 0.568 9.566 1.00 89.41 19 A 1 ATOM 148 C CB . ILE A 1 19 ? 2.515 0.488 12.919 1.00 92.28 19 A 1 ATOM 149 C CG1 . ILE A 1 19 ? 2.164 -0.488 14.067 1.00 91.80 19 A 1 ATOM 150 C CG2 . ILE A 1 19 ? 1.321 1.426 12.650 1.00 89.82 19 A 1 ATOM 151 C CD1 . ILE A 1 19 ? 2.114 0.176 15.449 1.00 83.63 19 A 1 ATOM 152 N N . THR A 1 20 ? 4.056 1.387 10.279 1.00 90.42 20 A 1 ATOM 153 C CA . THR A 1 20 ? 4.253 2.281 9.125 1.00 88.47 20 A 1 ATOM 154 C C . THR A 1 20 ? 4.323 1.493 7.816 1.00 88.93 20 A 1 ATOM 155 O O . THR A 1 20 ? 3.727 1.891 6.814 1.00 87.57 20 A 1 ATOM 156 C CB . THR A 1 20 ? 5.535 3.108 9.299 1.00 89.37 20 A 1 ATOM 157 O OG1 . THR A 1 20 ? 5.496 3.826 10.510 1.00 85.43 20 A 1 ATOM 158 C CG2 . THR A 1 20 ? 5.712 4.141 8.184 1.00 82.34 20 A 1 ATOM 159 N N . TYR A 1 21 ? 5.011 0.354 7.815 1.00 92.28 21 A 1 ATOM 160 C CA . TYR A 1 21 ? 5.099 -0.529 6.652 1.00 89.97 21 A 1 ATOM 161 C C . TYR A 1 21 ? 3.735 -1.104 6.260 1.00 90.39 21 A 1 ATOM 162 O O . TYR A 1 21 ? 3.366 -1.049 5.084 1.00 90.19 21 A 1 ATOM 163 C CB . TYR A 1 21 ? 6.112 -1.642 6.938 1.00 90.54 21 A 1 ATOM 164 C CG . TYR A 1 21 ? 6.270 -2.595 5.775 1.00 81.01 21 A 1 ATOM 165 C CD1 . TYR A 1 21 ? 5.536 -3.800 5.738 1.00 76.76 21 A 1 ATOM 166 C CD2 . TYR A 1 21 ? 7.120 -2.254 4.706 1.00 76.72 21 A 1 ATOM 167 C CE1 . TYR A 1 21 ? 5.660 -4.664 4.638 1.00 72.06 21 A 1 ATOM 168 C CE2 . TYR A 1 21 ? 7.242 -3.116 3.601 1.00 75.49 21 A 1 ATOM 169 C CZ . TYR A 1 21 ? 6.512 -4.322 3.570 1.00 72.17 21 A 1 ATOM 170 O OH . TYR A 1 21 ? 6.631 -5.158 2.500 1.00 72.82 21 A 1 ATOM 171 N N . ILE A 1 22 ? 2.962 -1.603 7.232 1.00 91.96 22 A 1 ATOM 172 C CA . ILE A 1 22 ? 1.604 -2.116 6.996 1.00 91.10 22 A 1 ATOM 173 C C . ILE A 1 22 ? 0.713 -1.018 6.421 1.00 90.50 22 A 1 ATOM 174 O O . ILE A 1 22 ? 0.064 -1.235 5.399 1.00 89.67 22 A 1 ATOM 175 C CB . ILE A 1 22 ? 1.004 -2.710 8.292 1.00 92.16 22 A 1 ATOM 176 C CG1 . ILE A 1 22 ? 1.712 -4.044 8.615 1.00 90.84 22 A 1 ATOM 177 C CG2 . ILE A 1 22 ? -0.516 -2.933 8.162 1.00 88.83 22 A 1 ATOM 178 C CD1 . ILE A 1 22 ? 1.285 -4.656 9.948 1.00 81.97 22 A 1 ATOM 179 N N . LEU A 1 23 ? 0.712 0.166 7.028 1.00 90.84 23 A 1 ATOM 180 C CA . LEU A 1 23 ? -0.110 1.281 6.571 1.00 88.79 23 A 1 ATOM 181 C C . LEU A 1 23 ? 0.224 1.663 5.125 1.00 87.73 23 A 1 ATOM 182 O O . LEU A 1 23 ? -0.670 1.762 4.287 1.00 87.49 23 A 1 ATOM 183 C CB . LEU A 1 23 ? 0.073 2.457 7.545 1.00 89.88 23 A 1 ATOM 184 C CG . LEU A 1 23 ? -0.887 3.629 7.277 1.00 79.24 23 A 1 ATOM 185 C CD1 . LEU A 1 23 ? -2.349 3.234 7.500 1.00 73.84 23 A 1 ATOM 186 C CD2 . LEU A 1 23 ? -0.552 4.784 8.223 1.00 75.84 23 A 1 ATOM 187 N N . LYS A 1 24 ? 1.515 1.778 4.796 1.00 92.74 24 A 1 ATOM 188 C CA . LYS A 1 24 ? 1.977 2.049 3.428 1.00 89.20 24 A 1 ATOM 189 C C . LYS A 1 24 ? 1.559 0.956 2.441 1.00 89.44 24 A 1 ATOM 190 O O . LYS A 1 24 ? 1.185 1.264 1.308 1.00 88.60 24 A 1 ATOM 191 C CB . LYS A 1 24 ? 3.500 2.236 3.463 1.00 89.86 24 A 1 ATOM 192 C CG . LYS A 1 24 ? 4.055 2.701 2.113 1.00 82.05 24 A 1 ATOM 193 C CD . LYS A 1 24 ? 5.547 2.999 2.235 1.00 77.47 24 A 1 ATOM 194 C CE . LYS A 1 24 ? 6.090 3.534 0.906 1.00 71.24 24 A 1 ATOM 195 N NZ . LYS A 1 24 ? 7.520 3.922 1.026 1.00 64.40 24 A 1 ATOM 196 N N . SER A 1 25 ? 1.591 -0.314 2.857 1.00 90.81 25 A 1 ATOM 197 C CA . SER A 1 25 ? 1.156 -1.448 2.034 1.00 89.67 25 A 1 ATOM 198 C C . SER A 1 25 ? -0.349 -1.408 1.749 1.00 90.40 25 A 1 ATOM 199 O O . SER A 1 25 ? -0.758 -1.621 0.608 1.00 87.74 25 A 1 ATOM 200 C CB . SER A 1 25 ? 1.529 -2.762 2.726 1.00 88.58 25 A 1 ATOM 201 O OG . SER A 1 25 ? 1.281 -3.846 1.852 1.00 75.70 25 A 1 ATOM 202 N N . ILE A 1 26 ? -1.159 -1.085 2.748 1.00 92.05 26 A 1 ATOM 203 C CA . ILE A 1 26 ? -2.614 -0.937 2.606 1.00 92.17 26 A 1 ATOM 204 C C . ILE A 1 26 ? -2.929 0.204 1.638 1.00 91.94 26 A 1 ATOM 205 O O . ILE A 1 26 ? -3.647 -0.019 0.665 1.00 90.47 26 A 1 ATOM 206 C CB . ILE A 1 26 ? -3.287 -0.732 3.981 1.00 93.26 26 A 1 ATOM 207 C CG1 . ILE A 1 26 ? -3.188 -2.028 4.820 1.00 90.73 26 A 1 ATOM 208 C CG2 . ILE A 1 26 ? -4.767 -0.329 3.821 1.00 88.01 26 A 1 ATOM 209 C CD1 . ILE A 1 26 ? -3.564 -1.843 6.294 1.00 83.63 26 A 1 ATOM 210 N N . THR A 1 27 ? -2.348 1.387 1.835 1.00 92.90 27 A 1 ATOM 211 C CA . THR A 1 27 ? -2.564 2.543 0.951 1.00 92.09 27 A 1 ATOM 212 C C . THR A 1 27 ? -2.207 2.209 -0.494 1.00 91.29 27 A 1 ATOM 213 O O . THR A 1 27 ? -3.023 2.401 -1.393 1.00 89.24 27 A 1 ATOM 214 C CB . THR A 1 27 ? -1.752 3.758 1.422 1.00 91.91 27 A 1 ATOM 215 O OG1 . THR A 1 27 ? -2.067 4.057 2.759 1.00 83.90 27 A 1 ATOM 216 C CG2 . THR A 1 27 ? -2.055 5.016 0.605 1.00 79.79 27 A 1 ATOM 217 N N . ARG A 1 28 ? -1.044 1.604 -0.730 1.00 91.54 28 A 1 ATOM 218 C CA . ARG A 1 28 ? -0.618 1.195 -2.078 1.00 90.68 28 A 1 ATOM 219 C C . ARG A 1 28 ? -1.574 0.188 -2.721 1.00 91.73 28 A 1 ATOM 220 O O . ARG A 1 28 ? -1.795 0.237 -3.931 1.00 88.23 28 A 1 ATOM 221 C CB . ARG A 1 28 ? 0.805 0.627 -1.987 1.00 90.29 28 A 1 ATOM 222 C CG . ARG A 1 28 ? 1.372 0.311 -3.373 1.00 80.05 28 A 1 ATOM 223 C CD . ARG A 1 28 ? 2.798 -0.215 -3.253 1.00 76.42 28 A 1 ATOM 224 N NE . ARG A 1 28 ? 3.360 -0.509 -4.581 1.00 69.68 28 A 1 ATOM 225 C CZ . ARG A 1 28 ? 4.568 -0.978 -4.834 1.00 64.29 28 A 1 ATOM 226 N NH1 . ARG A 1 28 ? 5.414 -1.247 -3.877 1.00 61.15 28 A 1 ATOM 227 N NH2 . ARG A 1 28 ? 4.950 -1.186 -6.063 1.00 55.05 28 A 1 ATOM 228 N N . THR A 1 29 ? -2.127 -0.733 -1.931 1.00 90.69 29 A 1 ATOM 229 C CA . THR A 1 29 ? -3.092 -1.727 -2.416 1.00 90.91 29 A 1 ATOM 230 C C . THR A 1 29 ? -4.419 -1.066 -2.780 1.00 91.29 29 A 1 ATOM 231 O O . THR A 1 29 ? -4.988 -1.380 -3.824 1.00 88.51 29 A 1 ATOM 232 C CB . THR A 1 29 ? -3.310 -2.832 -1.373 1.00 90.59 29 A 1 ATOM 233 O OG1 . THR A 1 29 ? -2.075 -3.436 -1.064 1.00 85.24 29 A 1 ATOM 234 C CG2 . THR A 1 29 ? -4.229 -3.938 -1.884 1.00 82.97 29 A 1 ATOM 235 N N . MET A 1 30 ? -4.888 -0.123 -1.971 1.00 89.92 30 A 1 ATOM 236 C CA . MET A 1 30 ? -6.102 0.648 -2.266 1.00 89.77 30 A 1 ATOM 237 C C . MET A 1 30 ? -5.951 1.477 -3.540 1.00 90.04 30 A 1 ATOM 238 O O . MET A 1 30 ? -6.811 1.388 -4.416 1.00 88.56 30 A 1 ATOM 239 C CB . MET A 1 30 ? -6.467 1.550 -1.076 1.00 88.14 30 A 1 ATOM 240 C CG . MET A 1 30 ? -6.987 0.714 0.100 1.00 79.10 30 A 1 ATOM 241 S SD . MET A 1 30 ? -8.223 1.570 1.109 1.00 69.37 30 A 1 ATOM 242 C CE . MET A 1 30 ? -9.462 0.260 1.244 1.00 60.62 30 A 1 ATOM 243 N N . ASP A 1 31 ? -4.835 2.192 -3.700 1.00 88.45 31 A 1 ATOM 244 C CA . ASP A 1 31 ? -4.549 2.949 -4.920 1.00 88.79 31 A 1 ATOM 245 C C . ASP A 1 31 ? -4.556 2.040 -6.152 1.00 89.62 31 A 1 ATOM 246 O O . ASP A 1 31 ? -5.213 2.333 -7.152 1.00 88.50 31 A 1 ATOM 247 C CB . ASP A 1 31 ? -3.186 3.646 -4.806 1.00 86.55 31 A 1 ATOM 248 C CG . ASP A 1 31 ? -3.158 4.797 -3.803 1.00 79.23 31 A 1 ATOM 249 O OD1 . ASP A 1 31 ? -4.239 5.362 -3.524 1.00 73.70 31 A 1 ATOM 250 O OD2 . ASP A 1 31 ? -2.036 5.120 -3.355 1.00 73.38 31 A 1 ATOM 251 N N . PHE A 1 32 ? -3.901 0.879 -6.068 1.00 86.06 32 A 1 ATOM 252 C CA . PHE A 1 32 ? -3.883 -0.101 -7.155 1.00 85.71 32 A 1 ATOM 253 C C . PHE A 1 32 ? -5.291 -0.580 -7.535 1.00 87.75 32 A 1 ATOM 254 O O . PHE A 1 32 ? -5.611 -0.676 -8.724 1.00 86.82 32 A 1 ATOM 255 C CB . PHE A 1 32 ? -3.001 -1.283 -6.750 1.00 85.22 32 A 1 ATOM 256 C CG . PHE A 1 32 ? -2.985 -2.392 -7.782 1.00 82.72 32 A 1 ATOM 257 C CD1 . PHE A 1 32 ? -3.785 -3.540 -7.606 1.00 76.58 32 A 1 ATOM 258 C CD2 . PHE A 1 32 ? -2.200 -2.253 -8.936 1.00 77.88 32 A 1 ATOM 259 C CE1 . PHE A 1 32 ? -3.786 -4.552 -8.581 1.00 71.99 32 A 1 ATOM 260 C CE2 . PHE A 1 32 ? -2.203 -3.264 -9.913 1.00 74.06 32 A 1 ATOM 261 C CZ . PHE A 1 32 ? -2.994 -4.413 -9.734 1.00 72.24 32 A 1 ATOM 262 N N . ILE A 1 33 ? -6.147 -0.866 -6.552 1.00 84.63 33 A 1 ATOM 263 C CA . ILE A 1 33 ? -7.536 -1.283 -6.780 1.00 85.02 33 A 1 ATOM 264 C C . ILE A 1 33 ? -8.319 -0.163 -7.472 1.00 85.54 33 A 1 ATOM 265 O O . ILE A 1 33 ? -8.967 -0.419 -8.487 1.00 85.24 33 A 1 ATOM 266 C CB . ILE A 1 33 ? -8.188 -1.735 -5.454 1.00 86.68 33 A 1 ATOM 267 C CG1 . ILE A 1 33 ? -7.556 -3.065 -4.980 1.00 84.69 33 A 1 ATOM 268 C CG2 . ILE A 1 33 ? -9.710 -1.911 -5.602 1.00 82.92 33 A 1 ATOM 269 C CD1 . ILE A 1 33 ? -7.901 -3.430 -3.535 1.00 76.45 33 A 1 ATOM 270 N N . ILE A 1 34 ? -8.221 1.074 -6.983 1.00 86.04 34 A 1 ATOM 271 C CA . ILE A 1 34 ? -8.921 2.235 -7.549 1.00 85.03 34 A 1 ATOM 272 C C . ILE A 1 34 ? -8.500 2.460 -9.004 1.00 84.30 34 A 1 ATOM 273 O O . ILE A 1 34 ? -9.361 2.552 -9.882 1.00 83.74 34 A 1 ATOM 274 C CB . ILE A 1 34 ? -8.676 3.486 -6.676 1.00 85.90 34 A 1 ATOM 275 C CG1 . ILE A 1 34 ? -9.373 3.323 -5.307 1.00 83.71 34 A 1 ATOM 276 C CG2 . ILE A 1 34 ? -9.185 4.762 -7.380 1.00 81.94 34 A 1 ATOM 277 C CD1 . ILE A 1 34 ? -8.914 4.339 -4.256 1.00 75.69 34 A 1 ATOM 278 N N . TYR A 1 35 ? -7.188 2.493 -9.291 1.00 86.11 35 A 1 ATOM 279 C CA . TYR A 1 35 ? -6.695 2.671 -10.661 1.00 84.11 35 A 1 ATOM 280 C C . TYR A 1 35 ? -7.132 1.542 -11.591 1.00 84.35 35 A 1 ATOM 281 O O . TYR A 1 35 ? -7.508 1.800 -12.735 1.00 85.67 35 A 1 ATOM 282 C CB . TYR A 1 35 ? -5.164 2.790 -10.665 1.00 84.44 35 A 1 ATOM 283 C CG . TYR A 1 35 ? -4.656 4.140 -10.204 1.00 78.27 35 A 1 ATOM 284 C CD1 . TYR A 1 35 ? -4.995 5.301 -10.929 1.00 74.41 35 A 1 ATOM 285 C CD2 . TYR A 1 35 ? -3.841 4.242 -9.066 1.00 73.07 35 A 1 ATOM 286 C CE1 . TYR A 1 35 ? -4.540 6.562 -10.505 1.00 68.72 35 A 1 ATOM 287 C CE2 . TYR A 1 35 ? -3.382 5.504 -8.636 1.00 69.67 35 A 1 ATOM 288 C CZ . TYR A 1 35 ? -3.737 6.662 -9.356 1.00 68.14 35 A 1 ATOM 289 O OH . TYR A 1 35 ? -3.304 7.881 -8.938 1.00 68.42 35 A 1 ATOM 290 N N . ARG A 1 36 ? -7.156 0.293 -11.111 1.00 87.30 36 A 1 ATOM 291 C CA . ARG A 1 36 ? -7.629 -0.847 -11.900 1.00 85.37 36 A 1 ATOM 292 C C . ARG A 1 36 ? -9.122 -0.745 -12.212 1.00 86.61 36 A 1 ATOM 293 O O . ARG A 1 36 ? -9.505 -0.991 -13.351 1.00 86.10 36 A 1 ATOM 294 C CB . ARG A 1 36 ? -7.272 -2.150 -11.170 1.00 85.60 36 A 1 ATOM 295 C CG . ARG A 1 36 ? -7.552 -3.375 -12.051 1.00 76.52 36 A 1 ATOM 296 C CD . ARG A 1 36 ? -7.119 -4.645 -11.324 1.00 75.12 36 A 1 ATOM 297 N NE . ARG A 1 36 ? -7.341 -5.835 -12.166 1.00 67.48 36 A 1 ATOM 298 C CZ . ARG A 1 36 ? -7.409 -7.082 -11.747 1.00 59.42 36 A 1 ATOM 299 N NH1 . ARG A 1 36 ? -7.288 -7.399 -10.491 1.00 55.28 36 A 1 ATOM 300 N NH2 . ARG A 1 36 ? -7.608 -8.050 -12.600 1.00 52.68 36 A 1 ATOM 301 N N . PHE A 1 37 ? -9.953 -0.356 -11.250 1.00 84.77 37 A 1 ATOM 302 C CA . PHE A 1 37 ? -11.378 -0.129 -11.485 1.00 83.79 37 A 1 ATOM 303 C C . PHE A 1 37 ? -11.616 1.007 -12.475 1.00 85.36 37 A 1 ATOM 304 O O . PHE A 1 37 ? -12.389 0.841 -13.420 1.00 85.20 37 A 1 ATOM 305 C CB . PHE A 1 37 ? -12.105 0.154 -10.160 1.00 83.38 37 A 1 ATOM 306 C CG . PHE A 1 37 ? -12.650 -1.097 -9.504 1.00 74.74 37 A 1 ATOM 307 C CD1 . PHE A 1 37 ? -13.795 -1.712 -10.040 1.00 68.59 37 A 1 ATOM 308 C CD2 . PHE A 1 37 ? -12.037 -1.637 -8.366 1.00 68.68 37 A 1 ATOM 309 C CE1 . PHE A 1 37 ? -14.314 -2.872 -9.448 1.00 62.78 37 A 1 ATOM 310 C CE2 . PHE A 1 37 ? -12.556 -2.799 -7.770 1.00 64.08 37 A 1 ATOM 311 C CZ . PHE A 1 37 ? -13.695 -3.416 -8.313 1.00 64.34 37 A 1 ATOM 312 N N . LEU A 1 38 ? -10.911 2.130 -12.310 1.00 86.19 38 A 1 ATOM 313 C CA . LEU A 1 38 ? -11.014 3.264 -13.222 1.00 85.59 38 A 1 ATOM 314 C C . LEU A 1 38 ? -10.617 2.872 -14.649 1.00 84.94 38 A 1 ATOM 315 O O . LEU A 1 38 ? -11.333 3.188 -15.596 1.00 86.72 38 A 1 ATOM 316 C CB . LEU A 1 38 ? -10.141 4.408 -12.679 1.00 87.65 38 A 1 ATOM 317 C CG . LEU A 1 38 ? -10.363 5.737 -13.422 1.00 76.39 38 A 1 ATOM 318 C CD1 . LEU A 1 38 ? -11.739 6.332 -13.115 1.00 71.06 38 A 1 ATOM 319 C CD2 . LEU A 1 38 ? -9.296 6.744 -12.992 1.00 73.56 38 A 1 ATOM 320 N N . PHE A 1 39 ? -9.524 2.120 -14.805 1.00 85.00 39 A 1 ATOM 321 C CA . PHE A 1 39 ? -9.085 1.597 -16.096 1.00 83.44 39 A 1 ATOM 322 C C . PHE A 1 39 ? -10.152 0.706 -16.743 1.00 83.13 39 A 1 ATOM 323 O O . PHE A 1 39 ? -10.486 0.898 -17.910 1.00 83.05 39 A 1 ATOM 324 C CB . PHE A 1 39 ? -7.770 0.835 -15.903 1.00 82.97 39 A 1 ATOM 325 C CG . PHE A 1 39 ? -7.261 0.194 -17.177 1.00 80.32 39 A 1 ATOM 326 C CD1 . PHE A 1 39 ? -7.501 -1.168 -17.436 1.00 74.79 39 A 1 ATOM 327 C CD2 . PHE A 1 39 ? -6.574 0.975 -18.119 1.00 75.46 39 A 1 ATOM 328 C CE1 . PHE A 1 39 ? -7.047 -1.747 -18.631 1.00 71.15 39 A 1 ATOM 329 C CE2 . PHE A 1 39 ? -6.123 0.397 -19.317 1.00 72.50 39 A 1 ATOM 330 C CZ . PHE A 1 39 ? -6.359 -0.964 -19.573 1.00 73.73 39 A 1 ATOM 331 N N . VAL A 1 40 ? -10.732 -0.228 -15.989 1.00 84.73 40 A 1 ATOM 332 C CA . VAL A 1 40 ? -11.797 -1.110 -16.493 1.00 83.96 40 A 1 ATOM 333 C C . VAL A 1 40 ? -13.010 -0.302 -16.952 1.00 84.12 40 A 1 ATOM 334 O O . VAL A 1 40 ? -13.535 -0.564 -18.031 1.00 82.66 40 A 1 ATOM 335 C CB . VAL A 1 40 ? -12.181 -2.157 -15.429 1.00 82.46 40 A 1 ATOM 336 C CG1 . VAL A 1 40 ? -13.444 -2.946 -15.788 1.00 78.18 40 A 1 ATOM 337 C CG2 . VAL A 1 40 ? -11.053 -3.184 -15.259 1.00 78.63 40 A 1 ATOM 338 N N . ILE A 1 41 ? -13.433 0.697 -16.190 1.00 84.64 41 A 1 ATOM 339 C CA . ILE A 1 41 ? -14.563 1.560 -16.561 1.00 83.72 41 A 1 ATOM 340 C C . ILE A 1 41 ? -14.256 2.320 -17.854 1.00 82.81 41 A 1 ATOM 341 O O . ILE A 1 41 ? -15.071 2.306 -18.772 1.00 81.80 41 A 1 ATOM 342 C CB . ILE A 1 41 ? -14.923 2.515 -15.400 1.00 84.00 41 A 1 ATOM 343 C CG1 . ILE A 1 41 ? -15.509 1.712 -14.215 1.00 82.77 41 A 1 ATOM 344 C CG2 . ILE A 1 41 ? -15.931 3.593 -15.849 1.00 80.96 41 A 1 ATOM 345 C CD1 . ILE A 1 41 ? -15.564 2.504 -12.905 1.00 74.64 41 A 1 ATOM 346 N N . VAL A 1 42 ? -13.083 2.948 -17.959 1.00 84.85 42 A 1 ATOM 347 C CA . VAL A 1 42 ? -12.690 3.730 -19.144 1.00 83.31 42 A 1 ATOM 348 C C . VAL A 1 42 ? -12.589 2.852 -20.390 1.00 83.09 42 A 1 ATOM 349 O O . VAL A 1 42 ? -13.042 3.257 -21.457 1.00 81.96 42 A 1 ATOM 350 C CB . VAL A 1 42 ? -11.373 4.484 -18.878 1.00 83.15 42 A 1 ATOM 351 C CG1 . VAL A 1 42 ? -10.798 5.146 -20.134 1.00 78.50 42 A 1 ATOM 352 C CG2 . VAL A 1 42 ? -11.596 5.602 -17.848 1.00 78.45 42 A 1 ATOM 353 N N . VAL A 1 43 ? -12.038 1.645 -20.266 1.00 84.23 43 A 1 ATOM 354 C CA . VAL A 1 43 ? -11.885 0.710 -21.393 1.00 83.33 43 A 1 ATOM 355 C C . VAL A 1 43 ? -13.222 0.103 -21.810 1.00 82.89 43 A 1 ATOM 356 O O . VAL A 1 43 ? -13.460 -0.067 -23.001 1.00 81.91 43 A 1 ATOM 357 C CB . VAL A 1 43 ? -10.852 -0.380 -21.049 1.00 81.47 43 A 1 ATOM 358 C CG1 . VAL A 1 43 ? -10.775 -1.488 -22.104 1.00 76.78 43 A 1 ATOM 359 C CG2 . VAL A 1 43 ? -9.452 0.238 -20.947 1.00 77.05 43 A 1 ATOM 360 N N . LEU A 1 44 ? -14.110 -0.213 -20.871 1.00 85.02 44 A 1 ATOM 361 C CA . LEU A 1 44 ? -15.407 -0.821 -21.180 1.00 84.05 44 A 1 ATOM 362 C C . LEU A 1 44 ? -16.477 0.200 -21.579 1.00 83.82 44 A 1 ATOM 363 O O . LEU A 1 44 ? -17.403 -0.167 -22.302 1.00 83.14 44 A 1 ATOM 364 C CB . LEU A 1 44 ? -15.881 -1.676 -19.993 1.00 83.45 44 A 1 ATOM 365 C CG . LEU A 1 44 ? -15.040 -2.941 -19.747 1.00 75.78 44 A 1 ATOM 366 C CD1 . LEU A 1 44 ? -15.546 -3.641 -18.489 1.00 69.39 44 A 1 ATOM 367 C CD2 . LEU A 1 44 ? -15.140 -3.940 -20.904 1.00 69.92 44 A 1 ATOM 368 N N . ALA A 1 45 ? -16.350 1.464 -21.179 1.00 84.45 45 A 1 ATOM 369 C CA . ALA A 1 45 ? -17.315 2.515 -21.497 1.00 82.33 45 A 1 ATOM 370 C C . ALA A 1 45 ? -17.676 2.618 -22.998 1.00 82.25 45 A 1 ATOM 371 O O . ALA A 1 45 ? -18.866 2.714 -23.295 1.00 81.68 45 A 1 ATOM 372 C CB . ALA A 1 45 ? -16.813 3.853 -20.934 1.00 81.00 45 A 1 ATOM 373 N N . PRO A 1 46 ? -16.727 2.580 -23.962 1.00 86.28 46 A 1 ATOM 374 C CA . PRO A 1 46 ? -17.080 2.615 -25.383 1.00 86.18 46 A 1 ATOM 375 C C . PRO A 1 46 ? -17.789 1.342 -25.870 1.00 87.04 46 A 1 ATOM 376 O O . PRO A 1 46 ? -18.575 1.428 -26.800 1.00 83.75 46 A 1 ATOM 377 C CB . PRO A 1 46 ? -15.763 2.859 -26.123 1.00 84.39 46 A 1 ATOM 378 C CG . PRO A 1 46 ? -14.701 2.325 -25.174 1.00 82.98 46 A 1 ATOM 379 C CD . PRO A 1 46 ? -15.288 2.642 -23.800 1.00 85.90 46 A 1 ATOM 380 N N . PHE A 1 47 ? -17.566 0.185 -25.246 1.00 84.17 47 A 1 ATOM 381 C CA . PHE A 1 47 ? -18.174 -1.093 -25.637 1.00 83.54 47 A 1 ATOM 382 C C . PHE A 1 47 ? -19.590 -1.291 -25.082 1.00 84.05 47 A 1 ATOM 383 O O . PHE A 1 47 ? -20.345 -2.085 -25.627 1.00 82.01 47 A 1 ATOM 384 C CB . PHE A 1 47 ? -17.275 -2.249 -25.188 1.00 83.36 47 A 1 ATOM 385 C CG . PHE A 1 47 ? -15.922 -2.280 -25.867 1.00 79.90 47 A 1 ATOM 386 C CD1 . PHE A 1 47 ? -15.794 -2.830 -27.153 1.00 73.59 47 A 1 ATOM 387 C CD2 . PHE A 1 47 ? -14.793 -1.758 -25.216 1.00 74.38 47 A 1 ATOM 388 C CE1 . PHE A 1 47 ? -14.542 -2.860 -27.785 1.00 70.93 47 A 1 ATOM 389 C CE2 . PHE A 1 47 ? -13.536 -1.781 -25.848 1.00 71.30 47 A 1 ATOM 390 C CZ . PHE A 1 47 ? -13.412 -2.332 -27.132 1.00 71.84 47 A 1 ATOM 391 N N . VAL A 1 48 ? -19.952 -0.581 -24.015 1.00 83.79 48 A 1 ATOM 392 C CA . VAL A 1 48 ? -21.306 -0.628 -23.429 1.00 83.09 48 A 1 ATOM 393 C C . VAL A 1 48 ? -22.270 0.318 -24.163 1.00 82.05 48 A 1 ATOM 394 O O . VAL A 1 48 ? -23.480 0.228 -23.997 1.00 79.87 48 A 1 ATOM 395 C CB . VAL A 1 48 ? -21.229 -0.342 -21.912 1.00 81.23 48 A 1 ATOM 396 C CG1 . VAL A 1 48 ? -22.586 -0.300 -21.203 1.00 72.76 48 A 1 ATOM 397 C CG2 . VAL A 1 48 ? -20.404 -1.427 -21.202 1.00 72.80 48 A 1 ATOM 398 N N . LYS A 1 49 ? -21.739 1.229 -24.980 1.00 80.98 49 A 1 ATOM 399 C CA . LYS A 1 49 ? -22.511 2.260 -25.689 1.00 78.67 49 A 1 ATOM 400 C C . LYS A 1 49 ? -22.940 1.840 -27.111 1.00 76.75 49 A 1 ATOM 401 O O . LYS A 1 49 ? -23.603 2.625 -27.782 1.00 73.47 49 A 1 ATOM 402 C CB . LYS A 1 49 ? -21.717 3.580 -25.642 1.00 76.20 49 A 1 ATOM 403 C CG . LYS A 1 49 ? -22.634 4.801 -25.554 1.00 69.07 49 A 1 ATOM 404 C CD . LYS A 1 49 ? -21.817 6.091 -25.458 1.00 66.91 49 A 1 ATOM 405 C CE . LYS A 1 49 ? -22.758 7.278 -25.284 1.00 62.25 49 A 1 ATOM 406 N NZ . LYS A 1 49 ? -22.017 8.562 -25.235 1.00 55.09 49 A 1 ATOM 407 N N . THR A 1 50 ? -22.566 0.642 -27.544 1.00 82.33 50 A 1 ATOM 408 C CA . THR A 1 50 ? -22.977 0.019 -28.818 1.00 82.17 50 A 1 ATOM 409 C C . THR A 1 50 ? -24.023 -1.059 -28.584 1.00 77.68 50 A 1 ATOM 410 O O . THR A 1 50 ? -24.988 -1.091 -29.372 1.00 71.79 50 A 1 ATOM 411 C CB . THR A 1 50 ? -21.785 -0.610 -29.543 1.00 76.71 50 A 1 ATOM 412 O OG1 . THR A 1 50 ? -21.055 -1.417 -28.619 1.00 68.22 50 A 1 ATOM 413 C CG2 . THR A 1 50 ? -20.836 0.439 -30.107 1.00 69.61 50 A 1 ATOM 414 O OXT . THR A 1 50 ? -23.803 -1.845 -27.651 1.00 70.02 50 A 1 #