# 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_aca8 # _entry.id aca8 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)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" "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" "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n ARG 3 1 n GLN 4 1 n VAL 5 1 n ARG 6 1 n VAL 7 1 n GLY 8 1 n ASN 9 1 n THR 10 1 n ILE 11 1 n TYR 12 1 n TYR 13 1 n VAL 14 1 n GLU 15 1 n SER 16 1 n GLU 17 1 n ASP 18 1 n ASP 19 1 n LEU 20 1 n VAL 21 1 n SER 22 1 n VAL 23 1 n THR 24 1 n HIS 25 1 n GLU 26 1 n LEU 27 1 n ALA 28 1 n ARG 29 1 n GLN 30 1 n GLY 31 1 n ILE 32 1 n LYS 33 1 n ILE 34 1 n GLU 35 1 n LYS 36 1 n ILE 37 1 n ALA 38 1 n TYR 39 1 n LEU 40 1 n LEU 41 1 n GLY 42 1 n VAL 43 1 n SER 44 1 n VAL 45 1 n ARG 46 1 n LYS 47 1 n VAL 48 1 n ARG 49 1 n GLN 50 1 n TYR 51 1 n LEU 52 1 n GLU 53 1 n SER 54 1 n CYS 55 # _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 (3.0.1 @ 2025-04-06 19:33:08)" _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 92.84 _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 82.88 1 1 A LYS 2 2 85.58 1 2 A ARG 3 2 83.11 1 3 A GLN 4 2 90.79 1 4 A VAL 5 2 96.01 1 5 A ARG 6 2 84.38 1 6 A VAL 7 2 94.69 1 7 A GLY 8 2 93.68 1 8 A ASN 9 2 90.60 1 9 A THR 10 2 96.06 1 10 A ILE 11 2 95.80 1 11 A TYR 12 2 96.70 1 12 A TYR 13 2 94.58 1 13 A VAL 14 2 96.72 1 14 A GLU 15 2 93.29 1 15 A SER 16 2 96.83 1 16 A GLU 17 2 91.41 1 17 A ASP 18 2 92.74 1 18 A ASP 19 2 96.53 1 19 A LEU 20 2 95.65 1 20 A VAL 21 2 97.39 1 21 A SER 22 2 95.19 1 22 A VAL 23 2 97.56 1 23 A THR 24 2 96.99 1 24 A HIS 25 2 93.57 1 25 A GLU 26 2 90.03 1 26 A LEU 27 2 97.28 1 27 A ALA 28 2 97.91 1 28 A ARG 29 2 85.08 1 29 A GLN 30 2 94.44 1 30 A GLY 31 2 97.54 1 31 A ILE 32 2 96.83 1 32 A LYS 33 2 94.04 1 33 A ILE 34 2 95.08 1 34 A GLU 35 2 94.37 1 35 A LYS 36 2 93.64 1 36 A ILE 37 2 97.95 1 37 A ALA 38 2 98.13 1 38 A TYR 39 2 94.02 1 39 A LEU 40 2 96.21 1 40 A LEU 41 2 96.10 1 41 A GLY 42 2 95.88 1 42 A VAL 43 2 96.92 1 43 A SER 44 2 98.19 1 44 A VAL 45 2 98.22 1 45 A ARG 46 2 84.90 1 46 A LYS 47 2 91.05 1 47 A VAL 48 2 98.35 1 48 A ARG 49 2 91.58 1 49 A GLN 50 2 93.37 1 50 A TYR 51 2 96.97 1 51 A LEU 52 2 97.19 1 52 A GLU 53 2 91.34 1 53 A SER 54 2 82.21 1 54 A CYS 55 2 61.22 1 55 # _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 LYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n TYR . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n HIS . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n GLN . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n ILE . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n TYR . 39 A 39 A 40 1 n LEU . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n SER . 44 A 44 A 45 1 n VAL . 45 A 45 A 46 1 n ARG . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n GLN . 50 A 50 A 51 1 n TYR . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n SER . 54 A 54 A 55 1 n CYS . 55 A 55 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? -0.743 -4.692 13.860 1.00 85.03 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.878 -4.769 12.911 1.00 89.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.665 -6.013 12.076 1.00 91.51 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.577 -6.156 11.545 1.00 88.90 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.892 -3.508 12.033 1.00 83.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.957 -3.541 10.925 1.00 77.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.019 -2.032 9.926 1.00 76.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.458 -2.149 9.014 1.00 70.14 1 A 1 ATOM 9 N N . LYS A 1 2 ? -2.627 -6.924 11.974 1.00 93.62 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.525 -8.094 11.089 1.00 93.94 2 A 1 ATOM 11 C C . LYS A 1 2 ? -3.711 -8.082 10.137 1.00 93.60 2 A 1 ATOM 12 O O . LYS A 1 2 ? -4.855 -8.139 10.592 1.00 90.65 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -2.450 -9.412 11.872 1.00 92.02 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -1.146 -9.546 12.669 1.00 84.15 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -0.916 -10.987 13.140 1.00 81.24 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 0.433 -11.101 13.857 1.00 74.41 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 1.182 -12.318 13.456 1.00 66.59 2 A 1 ATOM 18 N N . ARG A 1 3 ? -3.458 -7.972 8.828 1.00 94.44 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -4.499 -7.991 7.799 1.00 93.90 3 A 1 ATOM 20 C C . ARG A 1 3 ? -3.996 -8.623 6.505 1.00 95.89 3 A 1 ATOM 21 O O . ARG A 1 3 ? -2.800 -8.666 6.236 1.00 94.83 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -5.067 -6.577 7.574 1.00 89.84 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -4.063 -5.610 6.939 1.00 82.47 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -4.648 -4.201 6.764 1.00 82.77 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -5.739 -4.170 5.765 1.00 76.93 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -6.357 -3.079 5.354 1.00 72.02 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -6.065 -1.902 5.825 1.00 67.99 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -7.287 -3.144 4.452 1.00 63.15 3 A 1 ATOM 29 N N . GLN A 1 4 ? -4.941 -9.071 5.701 1.00 96.38 4 A 1 ATOM 30 C CA . GLN A 1 4 ? -4.679 -9.563 4.355 1.00 96.61 4 A 1 ATOM 31 C C . GLN A 1 4 ? -5.301 -8.605 3.342 1.00 96.47 4 A 1 ATOM 32 O O . GLN A 1 4 ? -6.425 -8.130 3.534 1.00 94.94 4 A 1 ATOM 33 C CB . GLN A 1 4 ? -5.229 -10.983 4.189 1.00 95.59 4 A 1 ATOM 34 C CG . GLN A 1 4 ? -4.521 -11.990 5.108 1.00 89.62 4 A 1 ATOM 35 C CD . GLN A 1 4 ? -5.102 -13.396 4.992 1.00 88.27 4 A 1 ATOM 36 O OE1 . GLN A 1 4 ? -5.963 -13.689 4.178 1.00 80.95 4 A 1 ATOM 37 N NE2 . GLN A 1 4 ? -4.666 -14.319 5.813 1.00 78.29 4 A 1 ATOM 38 N N . VAL A 1 5 ? -4.569 -8.328 2.271 1.00 96.74 5 A 1 ATOM 39 C CA . VAL A 1 5 ? -5.015 -7.497 1.154 1.00 96.69 5 A 1 ATOM 40 C C . VAL A 1 5 ? -4.961 -8.341 -0.106 1.00 97.04 5 A 1 ATOM 41 O O . VAL A 1 5 ? -3.898 -8.801 -0.507 1.00 96.59 5 A 1 ATOM 42 C CB . VAL A 1 5 ? -4.153 -6.230 1.023 1.00 96.18 5 A 1 ATOM 43 C CG1 . VAL A 1 5 ? -4.643 -5.360 -0.141 1.00 94.38 5 A 1 ATOM 44 C CG2 . VAL A 1 5 ? -4.214 -5.387 2.305 1.00 94.46 5 A 1 ATOM 45 N N . ARG A 1 6 ? -6.110 -8.564 -0.731 1.00 96.56 6 A 1 ATOM 46 C CA . ARG A 1 6 ? -6.196 -9.323 -1.982 1.00 96.39 6 A 1 ATOM 47 C C . ARG A 1 6 ? -6.235 -8.373 -3.175 1.00 96.32 6 A 1 ATOM 48 O O . ARG A 1 6 ? -7.086 -7.485 -3.235 1.00 94.76 6 A 1 ATOM 49 C CB . ARG A 1 6 ? -7.405 -10.266 -1.929 1.00 95.46 6 A 1 ATOM 50 C CG . ARG A 1 6 ? -7.380 -11.267 -3.089 1.00 88.02 6 A 1 ATOM 51 C CD . ARG A 1 6 ? -8.547 -12.253 -2.993 1.00 85.67 6 A 1 ATOM 52 N NE . ARG A 1 6 ? -8.110 -13.630 -3.254 1.00 77.68 6 A 1 ATOM 53 C CZ . ARG A 1 6 ? -8.864 -14.714 -3.219 1.00 70.47 6 A 1 ATOM 54 N NH1 . ARG A 1 6 ? -10.147 -14.654 -3.000 1.00 65.02 6 A 1 ATOM 55 N NH2 . ARG A 1 6 ? -8.323 -15.895 -3.388 1.00 61.85 6 A 1 ATOM 56 N N . VAL A 1 7 ? -5.337 -8.599 -4.133 1.00 95.86 7 A 1 ATOM 57 C CA . VAL A 1 7 ? -5.280 -7.867 -5.401 1.00 95.65 7 A 1 ATOM 58 C C . VAL A 1 7 ? -5.193 -8.884 -6.534 1.00 95.21 7 A 1 ATOM 59 O O . VAL A 1 7 ? -4.191 -9.581 -6.682 1.00 93.68 7 A 1 ATOM 60 C CB . VAL A 1 7 ? -4.102 -6.878 -5.442 1.00 95.37 7 A 1 ATOM 61 C CG1 . VAL A 1 7 ? -4.190 -6.009 -6.702 1.00 93.61 7 A 1 ATOM 62 C CG2 . VAL A 1 7 ? -4.109 -5.947 -4.221 1.00 93.46 7 A 1 ATOM 63 N N . GLY A 1 8 ? -6.268 -9.019 -7.305 1.00 93.93 8 A 1 ATOM 64 C CA . GLY A 1 8 ? -6.394 -10.104 -8.275 1.00 93.26 8 A 1 ATOM 65 C C . GLY A 1 8 ? -6.279 -11.470 -7.588 1.00 94.61 8 A 1 ATOM 66 O O . GLY A 1 8 ? -7.035 -11.767 -6.664 1.00 92.92 8 A 1 ATOM 67 N N . ASN A 1 9 ? -5.302 -12.272 -8.020 1.00 93.80 9 A 1 ATOM 68 C CA . ASN A 1 9 ? -5.036 -13.603 -7.465 1.00 95.23 9 A 1 ATOM 69 C C . ASN A 1 9 ? -3.973 -13.603 -6.355 1.00 96.18 9 A 1 ATOM 70 O O . ASN A 1 9 ? -3.736 -14.642 -5.745 1.00 94.59 9 A 1 ATOM 71 C CB . ASN A 1 9 ? -4.652 -14.548 -8.617 1.00 93.98 9 A 1 ATOM 72 C CG . ASN A 1 9 ? -5.806 -14.806 -9.578 1.00 89.17 9 A 1 ATOM 73 O OD1 . ASN A 1 9 ? -6.967 -14.533 -9.309 1.00 81.28 9 A 1 ATOM 74 N ND2 . ASN A 1 9 ? -5.518 -15.342 -10.740 1.00 80.60 9 A 1 ATOM 75 N N . THR A 1 10 ? -3.348 -12.457 -6.078 1.00 96.71 10 A 1 ATOM 76 C CA . THR A 1 10 ? -2.274 -12.338 -5.085 1.00 97.02 10 A 1 ATOM 77 C C . THR A 1 10 ? -2.837 -11.884 -3.741 1.00 97.45 10 A 1 ATOM 78 O O . THR A 1 10 ? -3.686 -10.990 -3.672 1.00 96.85 10 A 1 ATOM 79 C CB . THR A 1 10 ? -1.173 -11.387 -5.574 1.00 96.29 10 A 1 ATOM 80 O OG1 . THR A 1 10 ? -0.750 -11.791 -6.857 1.00 94.08 10 A 1 ATOM 81 C CG2 . THR A 1 10 ? 0.062 -11.410 -4.678 1.00 94.03 10 A 1 ATOM 82 N N . ILE A 1 11 ? -2.353 -12.502 -2.663 1.00 97.50 11 A 1 ATOM 83 C CA . ILE A 1 11 ? -2.666 -12.121 -1.285 1.00 97.71 11 A 1 ATOM 84 C C . ILE A 1 11 ? -1.401 -11.541 -0.656 1.00 97.84 11 A 1 ATOM 85 O O . ILE A 1 11 ? -0.373 -12.211 -0.592 1.00 97.40 11 A 1 ATOM 86 C CB . ILE A 1 11 ? -3.219 -13.311 -0.470 1.00 97.34 11 A 1 ATOM 87 C CG1 . ILE A 1 11 ? -4.511 -13.863 -1.129 1.00 95.16 11 A 1 ATOM 88 C CG2 . ILE A 1 11 ? -3.498 -12.871 0.981 1.00 94.68 11 A 1 ATOM 89 C CD1 . ILE A 1 11 ? -5.061 -15.131 -0.468 1.00 88.76 11 A 1 ATOM 90 N N . TYR A 1 12 ? -1.507 -10.316 -0.163 1.00 97.51 12 A 1 ATOM 91 C CA . TYR A 1 12 ? -0.459 -9.631 0.583 1.00 97.51 12 A 1 ATOM 92 C C . TYR A 1 12 ? -0.783 -9.690 2.071 1.00 97.57 12 A 1 ATOM 93 O O . TYR A 1 12 ? -1.890 -9.339 2.482 1.00 97.20 12 A 1 ATOM 94 C CB . TYR A 1 12 ? -0.339 -8.187 0.094 1.00 97.45 12 A 1 ATOM 95 C CG . TYR A 1 12 ? 0.017 -8.085 -1.376 1.00 97.51 12 A 1 ATOM 96 C CD1 . TYR A 1 12 ? 1.366 -8.114 -1.776 1.00 96.31 12 A 1 ATOM 97 C CD2 . TYR A 1 12 ? -0.999 -7.990 -2.348 1.00 96.39 12 A 1 ATOM 98 C CE1 . TYR A 1 12 ? 1.702 -8.041 -3.139 1.00 95.90 12 A 1 ATOM 99 C CE2 . TYR A 1 12 ? -0.667 -7.927 -3.715 1.00 95.91 12 A 1 ATOM 100 C CZ . TYR A 1 12 ? 0.686 -7.949 -4.108 1.00 96.21 12 A 1 ATOM 101 O OH . TYR A 1 12 ? 1.011 -7.886 -5.428 1.00 94.89 12 A 1 ATOM 102 N N . TYR A 1 13 ? 0.181 -10.121 2.868 1.00 97.35 13 A 1 ATOM 103 C CA . TYR A 1 13 ? 0.084 -10.102 4.325 1.00 97.43 13 A 1 ATOM 104 C C . TYR A 1 13 ? 0.702 -8.805 4.837 1.00 97.57 13 A 1 ATOM 105 O O . TYR A 1 13 ? 1.820 -8.462 4.472 1.00 97.19 13 A 1 ATOM 106 C CB . TYR A 1 13 ? 0.768 -11.336 4.909 1.00 97.14 13 A 1 ATOM 107 C CG . TYR A 1 13 ? 0.074 -12.630 4.526 1.00 96.32 13 A 1 ATOM 108 C CD1 . TYR A 1 13 ? -0.936 -13.162 5.351 1.00 92.71 13 A 1 ATOM 109 C CD2 . TYR A 1 13 ? 0.412 -13.292 3.325 1.00 93.00 13 A 1 ATOM 110 C CE1 . TYR A 1 13 ? -1.599 -14.350 4.988 1.00 91.63 13 A 1 ATOM 111 C CE2 . TYR A 1 13 ? -0.255 -14.474 2.952 1.00 91.74 13 A 1 ATOM 112 C CZ . TYR A 1 13 ? -1.259 -15.002 3.789 1.00 92.57 13 A 1 ATOM 113 O OH . TYR A 1 13 ? -1.911 -16.150 3.431 1.00 90.27 13 A 1 ATOM 114 N N . VAL A 1 14 ? -0.053 -8.078 5.647 1.00 97.36 14 A 1 ATOM 115 C CA . VAL A 1 14 ? 0.366 -6.797 6.217 1.00 97.40 14 A 1 ATOM 116 C C . VAL A 1 14 ? 0.302 -6.919 7.733 1.00 97.47 14 A 1 ATOM 117 O O . VAL A 1 14 ? -0.783 -7.026 8.309 1.00 97.02 14 A 1 ATOM 118 C CB . VAL A 1 14 ? -0.522 -5.653 5.703 1.00 96.89 14 A 1 ATOM 119 C CG1 . VAL A 1 14 ? -0.118 -4.322 6.333 1.00 95.43 14 A 1 ATOM 120 C CG2 . VAL A 1 14 ? -0.449 -5.502 4.178 1.00 95.50 14 A 1 ATOM 121 N N . GLU A 1 15 ? 1.458 -6.891 8.377 1.00 97.80 15 A 1 ATOM 122 C CA . GLU A 1 15 ? 1.590 -6.971 9.837 1.00 97.59 15 A 1 ATOM 123 C C . GLU A 1 15 ? 2.167 -5.682 10.449 1.00 97.45 15 A 1 ATOM 124 O O . GLU A 1 15 ? 1.945 -5.404 11.634 1.00 96.72 15 A 1 ATOM 125 C CB . GLU A 1 15 ? 2.427 -8.196 10.237 1.00 97.26 15 A 1 ATOM 126 C CG . GLU A 1 15 ? 1.885 -9.528 9.674 1.00 94.33 15 A 1 ATOM 127 C CD . GLU A 1 15 ? 2.348 -10.753 10.483 1.00 91.34 15 A 1 ATOM 128 O OE1 . GLU A 1 15 ? 1.515 -11.682 10.669 1.00 83.49 15 A 1 ATOM 129 O OE2 . GLU A 1 15 ? 3.432 -10.729 11.097 1.00 83.60 15 A 1 ATOM 130 N N . SER A 1 16 ? 2.844 -4.873 9.625 1.00 97.42 16 A 1 ATOM 131 C CA . SER A 1 16 ? 3.543 -3.653 10.028 1.00 97.17 16 A 1 ATOM 132 C C . SER A 1 16 ? 3.297 -2.497 9.049 1.00 97.11 16 A 1 ATOM 133 O O . SER A 1 16 ? 2.636 -2.644 8.021 1.00 96.91 16 A 1 ATOM 134 C CB . SER A 1 16 ? 5.041 -3.968 10.146 1.00 96.89 16 A 1 ATOM 135 O OG . SER A 1 16 ? 5.581 -4.196 8.866 1.00 95.47 16 A 1 ATOM 136 N N . GLU A 1 17 ? 3.808 -1.320 9.387 1.00 96.45 17 A 1 ATOM 137 C CA . GLU A 1 17 ? 3.811 -0.176 8.465 1.00 96.36 17 A 1 ATOM 138 C C . GLU A 1 17 ? 4.804 -0.390 7.307 1.00 96.61 17 A 1 ATOM 139 O O . GLU A 1 17 ? 4.498 -0.028 6.174 1.00 96.30 17 A 1 ATOM 140 C CB . GLU A 1 17 ? 4.076 1.120 9.254 1.00 95.56 17 A 1 ATOM 141 C CG . GLU A 1 17 ? 3.890 2.381 8.388 1.00 90.93 17 A 1 ATOM 142 C CD . GLU A 1 17 ? 3.761 3.691 9.193 1.00 88.25 17 A 1 ATOM 143 O OE1 . GLU A 1 17 ? 3.559 4.756 8.555 1.00 81.22 17 A 1 ATOM 144 O OE2 . GLU A 1 17 ? 3.738 3.662 10.441 1.00 80.97 17 A 1 ATOM 145 N N . ASP A 1 18 ? 5.926 -1.072 7.557 1.00 96.47 18 A 1 ATOM 146 C CA . ASP A 1 18 ? 6.909 -1.410 6.516 1.00 96.46 18 A 1 ATOM 147 C C . ASP A 1 18 ? 6.321 -2.348 5.450 1.00 96.88 18 A 1 ATOM 148 O O . ASP A 1 18 ? 6.613 -2.219 4.256 1.00 96.69 18 A 1 ATOM 149 C CB . ASP A 1 18 ? 8.144 -2.058 7.160 1.00 95.50 18 A 1 ATOM 150 C CG . ASP A 1 18 ? 8.856 -1.147 8.163 1.00 89.49 18 A 1 ATOM 151 O OD1 . ASP A 1 18 ? 8.872 0.082 7.934 1.00 85.52 18 A 1 ATOM 152 O OD2 . ASP A 1 18 ? 9.340 -1.692 9.178 1.00 84.93 18 A 1 ATOM 153 N N . ASP A 1 19 ? 5.417 -3.251 5.859 1.00 97.43 19 A 1 ATOM 154 C CA . ASP A 1 19 ? 4.664 -4.078 4.912 1.00 97.59 19 A 1 ATOM 155 C C . ASP A 1 19 ? 3.749 -3.219 4.032 1.00 97.75 19 A 1 ATOM 156 O O . ASP A 1 19 ? 3.650 -3.451 2.827 1.00 97.60 19 A 1 ATOM 157 C CB . ASP A 1 19 ? 3.806 -5.119 5.642 1.00 97.43 19 A 1 ATOM 158 C CG . ASP A 1 19 ? 4.602 -6.122 6.474 1.00 96.34 19 A 1 ATOM 159 O OD1 . ASP A 1 19 ? 5.674 -6.564 6.014 1.00 94.20 19 A 1 ATOM 160 O OD2 . ASP A 1 19 ? 4.100 -6.438 7.578 1.00 93.94 19 A 1 ATOM 161 N N . LEU A 1 20 ? 3.098 -2.196 4.599 1.00 97.51 20 A 1 ATOM 162 C CA . LEU A 1 20 ? 2.282 -1.259 3.820 1.00 97.44 20 A 1 ATOM 163 C C . LEU A 1 20 ? 3.129 -0.513 2.789 1.00 97.73 20 A 1 ATOM 164 O O . LEU A 1 20 ? 2.691 -0.369 1.647 1.00 97.50 20 A 1 ATOM 165 C CB . LEU A 1 20 ? 1.567 -0.240 4.731 1.00 96.73 20 A 1 ATOM 166 C CG . LEU A 1 20 ? 0.402 -0.798 5.559 1.00 94.50 20 A 1 ATOM 167 C CD1 . LEU A 1 20 ? -0.084 0.260 6.551 1.00 91.97 20 A 1 ATOM 168 C CD2 . LEU A 1 20 ? -0.789 -1.169 4.673 1.00 91.78 20 A 1 ATOM 169 N N . VAL A 1 21 ? 4.327 -0.067 3.171 1.00 97.58 21 A 1 ATOM 170 C CA . VAL A 1 21 ? 5.277 0.584 2.253 1.00 97.75 21 A 1 ATOM 171 C C . VAL A 1 21 ? 5.639 -0.372 1.115 1.00 97.86 21 A 1 ATOM 172 O O . VAL A 1 21 ? 5.449 -0.046 -0.057 1.00 97.78 21 A 1 ATOM 173 C CB . VAL A 1 21 ? 6.537 1.066 3.011 1.00 97.53 21 A 1 ATOM 174 C CG1 . VAL A 1 21 ? 7.590 1.645 2.059 1.00 96.59 21 A 1 ATOM 175 C CG2 . VAL A 1 21 ? 6.196 2.158 4.029 1.00 96.66 21 A 1 ATOM 176 N N . SER A 1 22 ? 6.064 -1.589 1.459 1.00 97.82 22 A 1 ATOM 177 C CA . SER A 1 22 ? 6.493 -2.601 0.485 1.00 97.69 22 A 1 ATOM 178 C C . SER A 1 22 ? 5.382 -2.956 -0.510 1.00 97.84 22 A 1 ATOM 179 O O . SER A 1 22 ? 5.592 -2.926 -1.727 1.00 97.58 22 A 1 ATOM 180 C CB . SER A 1 22 ? 6.955 -3.863 1.223 1.00 97.10 22 A 1 ATOM 181 O OG . SER A 1 22 ? 8.047 -3.555 2.066 1.00 83.11 22 A 1 ATOM 182 N N . VAL A 1 23 ? 4.177 -3.222 -0.010 1.00 98.02 23 A 1 ATOM 183 C CA . VAL A 1 23 ? 3.004 -3.521 -0.846 1.00 98.10 23 A 1 ATOM 184 C C . VAL A 1 23 ? 2.622 -2.312 -1.701 1.00 98.26 23 A 1 ATOM 185 O O . VAL A 1 23 ? 2.289 -2.480 -2.870 1.00 98.21 23 A 1 ATOM 186 C CB . VAL A 1 23 ? 1.820 -4.002 0.021 1.00 97.88 23 A 1 ATOM 187 C CG1 . VAL A 1 23 ? 0.547 -4.233 -0.805 1.00 96.23 23 A 1 ATOM 188 C CG2 . VAL A 1 23 ? 2.140 -5.341 0.700 1.00 96.23 23 A 1 ATOM 189 N N . THR A 1 24 ? 2.710 -1.096 -1.169 1.00 98.27 24 A 1 ATOM 190 C CA . THR A 1 24 ? 2.439 0.134 -1.936 1.00 98.40 24 A 1 ATOM 191 C C . THR A 1 24 ? 3.359 0.243 -3.150 1.00 98.44 24 A 1 ATOM 192 O O . THR A 1 24 ? 2.876 0.459 -4.261 1.00 98.35 24 A 1 ATOM 193 C CB . THR A 1 24 ? 2.587 1.391 -1.065 1.00 98.26 24 A 1 ATOM 194 O OG1 . THR A 1 24 ? 1.629 1.381 -0.039 1.00 93.33 24 A 1 ATOM 195 C CG2 . THR A 1 24 ? 2.346 2.685 -1.838 1.00 93.87 24 A 1 ATOM 196 N N . HIS A 1 25 ? 4.672 0.038 -2.956 1.00 98.08 25 A 1 ATOM 197 C CA . HIS A 1 25 ? 5.644 0.064 -4.054 1.00 97.97 25 A 1 ATOM 198 C C . HIS A 1 25 ? 5.386 -1.040 -5.079 1.00 97.90 25 A 1 ATOM 199 O O . HIS A 1 25 ? 5.488 -0.804 -6.284 1.00 97.50 25 A 1 ATOM 200 C CB . HIS A 1 25 ? 7.064 -0.067 -3.493 1.00 97.57 25 A 1 ATOM 201 C CG . HIS A 1 25 ? 7.578 1.212 -2.897 1.00 95.92 25 A 1 ATOM 202 N ND1 . HIS A 1 25 ? 8.015 2.315 -3.607 1.00 86.37 25 A 1 ATOM 203 C CD2 . HIS A 1 25 ? 7.715 1.487 -1.568 1.00 86.75 25 A 1 ATOM 204 C CE1 . HIS A 1 25 ? 8.414 3.233 -2.714 1.00 88.40 25 A 1 ATOM 205 N NE2 . HIS A 1 25 ? 8.247 2.771 -1.464 1.00 89.26 25 A 1 ATOM 206 N N . GLU A 1 26 ? 5.021 -2.229 -4.624 1.00 97.88 26 A 1 ATOM 207 C CA . GLU A 1 26 ? 4.724 -3.333 -5.537 1.00 97.50 26 A 1 ATOM 208 C C . GLU A 1 26 ? 3.483 -3.056 -6.393 1.00 97.58 26 A 1 ATOM 209 O O . GLU A 1 26 ? 3.529 -3.203 -7.618 1.00 97.07 26 A 1 ATOM 210 C CB . GLU A 1 26 ? 4.614 -4.639 -4.745 1.00 96.72 26 A 1 ATOM 211 C CG . GLU A 1 26 ? 4.432 -5.804 -5.722 1.00 86.40 26 A 1 ATOM 212 C CD . GLU A 1 26 ? 4.904 -7.156 -5.187 1.00 83.62 26 A 1 ATOM 213 O OE1 . GLU A 1 26 ? 4.458 -8.152 -5.799 1.00 77.24 26 A 1 ATOM 214 O OE2 . GLU A 1 26 ? 5.730 -7.181 -4.249 1.00 76.25 26 A 1 ATOM 215 N N . LEU A 1 27 ? 2.411 -2.584 -5.784 1.00 97.79 27 A 1 ATOM 216 C CA . LEU A 1 27 ? 1.185 -2.229 -6.499 1.00 97.87 27 A 1 ATOM 217 C C . LEU A 1 27 ? 1.413 -1.060 -7.469 1.00 97.94 27 A 1 ATOM 218 O O . LEU A 1 27 ? 0.900 -1.081 -8.590 1.00 97.79 27 A 1 ATOM 219 C CB . LEU A 1 27 ? 0.081 -1.905 -5.481 1.00 97.84 27 A 1 ATOM 220 C CG . LEU A 1 27 ? -0.365 -3.085 -4.592 1.00 97.11 27 A 1 ATOM 221 C CD1 . LEU A 1 27 ? -1.453 -2.611 -3.626 1.00 96.02 27 A 1 ATOM 222 C CD2 . LEU A 1 27 ? -0.908 -4.265 -5.388 1.00 95.88 27 A 1 ATOM 223 N N . ALA A 1 28 ? 2.223 -0.075 -7.083 1.00 97.97 28 A 1 ATOM 224 C CA . ALA A 1 28 ? 2.597 1.030 -7.964 1.00 98.05 28 A 1 ATOM 225 C C . ALA A 1 28 ? 3.409 0.545 -9.180 1.00 97.99 28 A 1 ATOM 226 O O . ALA A 1 28 ? 3.125 0.963 -10.304 1.00 97.57 28 A 1 ATOM 227 C CB . ALA A 1 28 ? 3.362 2.076 -7.145 1.00 97.99 28 A 1 ATOM 228 N N . ARG A 1 29 ? 4.359 -0.387 -8.987 1.00 97.47 29 A 1 ATOM 229 C CA . ARG A 1 29 ? 5.110 -1.019 -10.091 1.00 97.14 29 A 1 ATOM 230 C C . ARG A 1 29 ? 4.211 -1.794 -11.056 1.00 96.83 29 A 1 ATOM 231 O O . ARG A 1 29 ? 4.494 -1.833 -12.248 1.00 96.00 29 A 1 ATOM 232 C CB . ARG A 1 29 ? 6.201 -1.952 -9.541 1.00 96.46 29 A 1 ATOM 233 C CG . ARG A 1 29 ? 7.424 -1.185 -9.006 1.00 89.26 29 A 1 ATOM 234 C CD . ARG A 1 29 ? 8.569 -2.143 -8.644 1.00 86.73 29 A 1 ATOM 235 N NE . ARG A 1 29 ? 8.242 -3.023 -7.500 1.00 77.75 29 A 1 ATOM 236 C CZ . ARG A 1 29 ? 8.658 -2.889 -6.249 1.00 71.22 29 A 1 ATOM 237 N NH1 . ARG A 1 29 ? 9.414 -1.896 -5.866 1.00 65.27 29 A 1 ATOM 238 N NH2 . ARG A 1 29 ? 8.334 -3.776 -5.346 1.00 61.70 29 A 1 ATOM 239 N N . GLN A 1 30 ? 3.116 -2.357 -10.561 1.00 97.19 30 A 1 ATOM 240 C CA . GLN A 1 30 ? 2.093 -3.006 -11.392 1.00 96.82 30 A 1 ATOM 241 C C . GLN A 1 30 ? 1.196 -2.002 -12.146 1.00 97.09 30 A 1 ATOM 242 O O . GLN A 1 30 ? 0.274 -2.406 -12.857 1.00 96.41 30 A 1 ATOM 243 C CB . GLN A 1 30 ? 1.258 -3.959 -10.522 1.00 96.47 30 A 1 ATOM 244 C CG . GLN A 1 30 ? 2.066 -5.151 -9.972 1.00 95.22 30 A 1 ATOM 245 C CD . GLN A 1 30 ? 1.252 -6.010 -9.004 1.00 93.73 30 A 1 ATOM 246 O OE1 . GLN A 1 30 ? 0.029 -6.009 -8.991 1.00 89.46 30 A 1 ATOM 247 N NE2 . GLN A 1 30 ? 1.895 -6.787 -8.159 1.00 87.56 30 A 1 ATOM 248 N N . GLY A 1 31 ? 1.436 -0.697 -12.000 1.00 97.55 31 A 1 ATOM 249 C CA . GLY A 1 31 ? 0.662 0.358 -12.665 1.00 97.54 31 A 1 ATOM 250 C C . GLY A 1 31 ? -0.693 0.648 -12.015 1.00 97.75 31 A 1 ATOM 251 O O . GLY A 1 31 ? -1.556 1.276 -12.635 1.00 97.30 31 A 1 ATOM 252 N N . ILE A 1 32 ? -0.900 0.201 -10.776 1.00 97.91 32 A 1 ATOM 253 C CA . ILE A 1 32 ? -2.147 0.461 -10.051 1.00 97.91 32 A 1 ATOM 254 C C . ILE A 1 32 ? -2.164 1.926 -9.595 1.00 98.13 32 A 1 ATOM 255 O O . ILE A 1 32 ? -1.222 2.431 -8.995 1.00 98.04 32 A 1 ATOM 256 C CB . ILE A 1 32 ? -2.355 -0.542 -8.896 1.00 97.68 32 A 1 ATOM 257 C CG1 . ILE A 1 32 ? -2.393 -1.982 -9.472 1.00 96.51 32 A 1 ATOM 258 C CG2 . ILE A 1 32 ? -3.653 -0.235 -8.126 1.00 96.64 32 A 1 ATOM 259 C CD1 . ILE A 1 32 ? -2.585 -3.089 -8.438 1.00 91.84 32 A 1 ATOM 260 N N . LYS A 1 33 ? -3.276 2.615 -9.860 1.00 98.30 33 A 1 ATOM 261 C CA . LYS A 1 33 ? -3.453 4.023 -9.478 1.00 98.38 33 A 1 ATOM 262 C C . LYS A 1 33 ? -3.412 4.208 -7.958 1.00 98.49 33 A 1 ATOM 263 O O . LYS A 1 33 ? -3.956 3.393 -7.213 1.00 98.41 33 A 1 ATOM 264 C CB . LYS A 1 33 ? -4.768 4.577 -10.042 1.00 98.20 33 A 1 ATOM 265 C CG . LYS A 1 33 ? -4.771 4.644 -11.576 1.00 95.60 33 A 1 ATOM 266 C CD . LYS A 1 33 ? -6.038 5.360 -12.072 1.00 92.28 33 A 1 ATOM 267 C CE . LYS A 1 33 ? -6.010 5.466 -13.599 1.00 87.33 33 A 1 ATOM 268 N NZ . LYS A 1 33 ? -7.152 6.260 -14.116 1.00 79.33 33 A 1 ATOM 269 N N . ILE A 1 34 ? -2.862 5.338 -7.515 1.00 98.48 34 A 1 ATOM 270 C CA . ILE A 1 34 ? -2.684 5.692 -6.098 1.00 98.53 34 A 1 ATOM 271 C C . ILE A 1 34 ? -4.009 5.619 -5.322 1.00 98.65 34 A 1 ATOM 272 O O . ILE A 1 34 ? -4.054 5.094 -4.211 1.00 98.51 34 A 1 ATOM 273 C CB . ILE A 1 34 ? -2.035 7.096 -6.000 1.00 98.05 34 A 1 ATOM 274 C CG1 . ILE A 1 34 ? -0.599 7.065 -6.580 1.00 92.10 34 A 1 ATOM 275 C CG2 . ILE A 1 34 ? -2.008 7.593 -4.548 1.00 90.77 34 A 1 ATOM 276 C CD1 . ILE A 1 34 ? 0.098 8.430 -6.624 1.00 85.58 34 A 1 ATOM 277 N N . GLU A 1 35 ? -5.105 6.067 -5.913 1.00 98.61 35 A 1 ATOM 278 C CA . GLU A 1 35 ? -6.436 6.025 -5.296 1.00 98.58 35 A 1 ATOM 279 C C . GLU A 1 35 ? -6.904 4.584 -5.059 1.00 98.50 35 A 1 ATOM 280 O O . GLU A 1 35 ? -7.506 4.274 -4.028 1.00 98.13 35 A 1 ATOM 281 C CB . GLU A 1 35 ? -7.472 6.740 -6.185 1.00 98.43 35 A 1 ATOM 282 C CG . GLU A 1 35 ? -7.181 8.223 -6.484 1.00 95.39 35 A 1 ATOM 283 C CD . GLU A 1 35 ? -6.064 8.469 -7.510 1.00 92.15 35 A 1 ATOM 284 O OE1 . GLU A 1 35 ? -5.587 9.621 -7.582 1.00 84.60 35 A 1 ATOM 285 O OE2 . GLU A 1 35 ? -5.660 7.502 -8.204 1.00 84.91 35 A 1 ATOM 286 N N . LYS A 1 36 ? -6.591 3.687 -5.998 1.00 98.33 36 A 1 ATOM 287 C CA . LYS A 1 36 ? -6.927 2.268 -5.868 1.00 98.16 36 A 1 ATOM 288 C C . LYS A 1 36 ? -6.056 1.593 -4.808 1.00 98.10 36 A 1 ATOM 289 O O . LYS A 1 36 ? -6.582 0.803 -4.029 1.00 97.79 36 A 1 ATOM 290 C CB . LYS A 1 36 ? -6.830 1.586 -7.242 1.00 97.83 36 A 1 ATOM 291 C CG . LYS A 1 36 ? -7.284 0.119 -7.243 1.00 95.14 36 A 1 ATOM 292 C CD . LYS A 1 36 ? -8.765 -0.050 -6.853 1.00 92.06 36 A 1 ATOM 293 C CE . LYS A 1 36 ? -9.188 -1.516 -6.981 1.00 86.76 36 A 1 ATOM 294 N NZ . LYS A 1 36 ? -10.621 -1.699 -6.648 1.00 78.60 36 A 1 ATOM 295 N N . ILE A 1 37 ? -4.767 1.939 -4.740 1.00 98.21 37 A 1 ATOM 296 C CA . ILE A 1 37 ? -3.854 1.459 -3.691 1.00 98.26 37 A 1 ATOM 297 C C . ILE A 1 37 ? -4.357 1.907 -2.314 1.00 98.06 37 A 1 ATOM 298 O O . ILE A 1 37 ? -4.496 1.079 -1.416 1.00 97.81 37 A 1 ATOM 299 C CB . ILE A 1 37 ? -2.407 1.938 -3.960 1.00 98.39 37 A 1 ATOM 300 C CG1 . ILE A 1 37 ? -1.876 1.366 -5.295 1.00 98.00 37 A 1 ATOM 301 C CG2 . ILE A 1 37 ? -1.485 1.518 -2.803 1.00 97.99 37 A 1 ATOM 302 C CD1 . ILE A 1 37 ? -0.540 1.959 -5.752 1.00 96.92 37 A 1 ATOM 303 N N . ALA A 1 38 ? -4.712 3.183 -2.169 1.00 98.45 38 A 1 ATOM 304 C CA . ALA A 1 38 ? -5.264 3.722 -0.930 1.00 98.40 38 A 1 ATOM 305 C C . ALA A 1 38 ? -6.517 2.959 -0.477 1.00 97.95 38 A 1 ATOM 306 O O . ALA A 1 38 ? -6.621 2.569 0.689 1.00 97.38 38 A 1 ATOM 307 C CB . ALA A 1 38 ? -5.566 5.213 -1.144 1.00 98.48 38 A 1 ATOM 308 N N . TYR A 1 39 ? -7.420 2.678 -1.409 1.00 97.66 39 A 1 ATOM 309 C CA . TYR A 1 39 ? -8.619 1.886 -1.142 1.00 97.32 39 A 1 ATOM 310 C C . TYR A 1 39 ? -8.290 0.452 -0.697 1.00 96.97 39 A 1 ATOM 311 O O . TYR A 1 39 ? -8.830 -0.023 0.299 1.00 96.15 39 A 1 ATOM 312 C CB . TYR A 1 39 ? -9.503 1.887 -2.397 1.00 97.04 39 A 1 ATOM 313 C CG . TYR A 1 39 ? -10.724 0.999 -2.274 1.00 95.46 39 A 1 ATOM 314 C CD1 . TYR A 1 39 ? -10.700 -0.316 -2.783 1.00 92.64 39 A 1 ATOM 315 C CD2 . TYR A 1 39 ? -11.873 1.472 -1.613 1.00 92.58 39 A 1 ATOM 316 C CE1 . TYR A 1 39 ? -11.820 -1.154 -2.631 1.00 90.87 39 A 1 ATOM 317 C CE2 . TYR A 1 39 ? -12.993 0.637 -1.461 1.00 91.27 39 A 1 ATOM 318 C CZ . TYR A 1 39 ? -12.965 -0.677 -1.970 1.00 90.99 39 A 1 ATOM 319 O OH . TYR A 1 39 ? -14.050 -1.492 -1.824 1.00 89.25 39 A 1 ATOM 320 N N . LEU A 1 40 ? -7.392 -0.225 -1.416 1.00 97.23 40 A 1 ATOM 321 C CA . LEU A 1 40 ? -7.017 -1.613 -1.114 1.00 96.85 40 A 1 ATOM 322 C C . LEU A 1 40 ? -6.330 -1.740 0.250 1.00 96.39 40 A 1 ATOM 323 O O . LEU A 1 40 ? -6.617 -2.670 1.006 1.00 95.39 40 A 1 ATOM 324 C CB . LEU A 1 40 ? -6.099 -2.138 -2.228 1.00 96.89 40 A 1 ATOM 325 C CG . LEU A 1 40 ? -6.804 -2.399 -3.571 1.00 96.30 40 A 1 ATOM 326 C CD1 . LEU A 1 40 ? -5.755 -2.644 -4.656 1.00 95.34 40 A 1 ATOM 327 C CD2 . LEU A 1 40 ? -7.731 -3.613 -3.504 1.00 95.32 40 A 1 ATOM 328 N N . LEU A 1 41 ? -5.456 -0.785 0.569 1.00 97.00 41 A 1 ATOM 329 C CA . LEU A 1 41 ? -4.707 -0.764 1.827 1.00 96.87 41 A 1 ATOM 330 C C . LEU A 1 41 ? -5.487 -0.121 2.982 1.00 96.42 41 A 1 ATOM 331 O O . LEU A 1 41 ? -5.038 -0.178 4.120 1.00 95.42 41 A 1 ATOM 332 C CB . LEU A 1 41 ? -3.349 -0.075 1.600 1.00 97.10 41 A 1 ATOM 333 C CG . LEU A 1 41 ? -2.441 -0.766 0.565 1.00 96.47 41 A 1 ATOM 334 C CD1 . LEU A 1 41 ? -1.132 0.003 0.455 1.00 94.74 41 A 1 ATOM 335 C CD2 . LEU A 1 41 ? -2.121 -2.213 0.934 1.00 94.79 41 A 1 ATOM 336 N N . GLY A 1 42 ? -6.648 0.480 2.716 1.00 96.46 42 A 1 ATOM 337 C CA . GLY A 1 42 ? -7.457 1.155 3.734 1.00 95.93 42 A 1 ATOM 338 C C . GLY A 1 42 ? -6.744 2.351 4.377 1.00 96.21 42 A 1 ATOM 339 O O . GLY A 1 42 ? -6.921 2.599 5.568 1.00 94.90 42 A 1 ATOM 340 N N . VAL A 1 43 ? -5.912 3.053 3.598 1.00 96.86 43 A 1 ATOM 341 C CA . VAL A 1 43 ? -5.171 4.251 4.024 1.00 97.40 43 A 1 ATOM 342 C C . VAL A 1 43 ? -5.545 5.449 3.147 1.00 97.98 43 A 1 ATOM 343 O O . VAL A 1 43 ? -6.187 5.304 2.106 1.00 97.88 43 A 1 ATOM 344 C CB . VAL A 1 43 ? -3.645 4.020 4.039 1.00 97.08 43 A 1 ATOM 345 C CG1 . VAL A 1 43 ? -3.253 2.920 5.028 1.00 95.90 43 A 1 ATOM 346 C CG2 . VAL A 1 43 ? -3.077 3.681 2.660 1.00 95.34 43 A 1 ATOM 347 N N . SER A 1 44 ? -5.152 6.652 3.551 1.00 98.27 44 A 1 ATOM 348 C CA . SER A 1 44 ? -5.405 7.849 2.744 1.00 98.54 44 A 1 ATOM 349 C C . SER A 1 44 ? -4.481 7.914 1.519 1.00 98.73 44 A 1 ATOM 350 O O . SER A 1 44 ? -3.340 7.453 1.558 1.00 98.66 44 A 1 ATOM 351 C CB . SER A 1 44 ? -5.295 9.118 3.600 1.00 98.30 44 A 1 ATOM 352 O OG . SER A 1 44 ? -3.958 9.396 3.967 1.00 96.63 44 A 1 ATOM 353 N N . VAL A 1 45 ? -4.929 8.579 0.452 1.00 98.68 45 A 1 ATOM 354 C CA . VAL A 1 45 ? -4.094 8.873 -0.733 1.00 98.74 45 A 1 ATOM 355 C C . VAL A 1 45 ? -2.805 9.607 -0.343 1.00 98.78 45 A 1 ATOM 356 O O . VAL A 1 45 ? -1.735 9.311 -0.869 1.00 98.65 45 A 1 ATOM 357 C CB . VAL A 1 45 ? -4.899 9.710 -1.748 1.00 98.54 45 A 1 ATOM 358 C CG1 . VAL A 1 45 ? -4.047 10.204 -2.922 1.00 97.02 45 A 1 ATOM 359 C CG2 . VAL A 1 45 ? -6.063 8.897 -2.323 1.00 97.11 45 A 1 ATOM 360 N N . ARG A 1 46 ? -2.883 10.529 0.623 1.00 98.72 46 A 1 ATOM 361 C CA . ARG A 1 46 ? -1.712 11.234 1.159 1.00 98.70 46 A 1 ATOM 362 C C . ARG A 1 46 ? -0.695 10.263 1.757 1.00 98.72 46 A 1 ATOM 363 O O . ARG A 1 46 ? 0.496 10.412 1.504 1.00 98.42 46 A 1 ATOM 364 C CB . ARG A 1 46 ? -2.166 12.283 2.188 1.00 98.35 46 A 1 ATOM 365 C CG . ARG A 1 46 ? -0.981 13.092 2.743 1.00 88.83 46 A 1 ATOM 366 C CD . ARG A 1 46 ? -1.462 14.167 3.719 1.00 88.50 46 A 1 ATOM 367 N NE . ARG A 1 46 ? -0.332 14.925 4.284 1.00 76.13 46 A 1 ATOM 368 C CZ . ARG A 1 46 ? -0.403 16.037 5.000 1.00 67.52 46 A 1 ATOM 369 N NH1 . ARG A 1 46 ? -1.546 16.594 5.298 1.00 61.14 46 A 1 ATOM 370 N NH2 . ARG A 1 46 ? 0.687 16.612 5.430 1.00 58.89 46 A 1 ATOM 371 N N . LYS A 1 47 ? -1.155 9.266 2.509 1.00 98.41 47 A 1 ATOM 372 C CA . LYS A 1 47 ? -0.275 8.273 3.133 1.00 98.21 47 A 1 ATOM 373 C C . LYS A 1 47 ? 0.381 7.373 2.081 1.00 98.39 47 A 1 ATOM 374 O O . LYS A 1 47 ? 1.573 7.114 2.179 1.00 98.19 47 A 1 ATOM 375 C CB . LYS A 1 47 ? -1.075 7.490 4.179 1.00 97.55 47 A 1 ATOM 376 C CG . LYS A 1 47 ? -0.210 6.637 5.118 1.00 90.87 47 A 1 ATOM 377 C CD . LYS A 1 47 ? 0.726 7.436 6.036 1.00 85.28 47 A 1 ATOM 378 C CE . LYS A 1 47 ? 1.374 6.463 7.030 1.00 80.66 47 A 1 ATOM 379 N NZ . LYS A 1 47 ? 2.456 7.024 7.876 1.00 71.93 47 A 1 ATOM 380 N N . VAL A 1 48 ? -0.346 6.980 1.032 1.00 98.45 48 A 1 ATOM 381 C CA . VAL A 1 48 ? 0.220 6.241 -0.113 1.00 98.56 48 A 1 ATOM 382 C C . VAL A 1 48 ? 1.330 7.039 -0.796 1.00 98.61 48 A 1 ATOM 383 O O . VAL A 1 48 ? 2.381 6.477 -1.081 1.00 98.54 48 A 1 ATOM 384 C CB . VAL A 1 48 ? -0.869 5.861 -1.133 1.00 98.50 48 A 1 ATOM 385 C CG1 . VAL A 1 48 ? -0.300 5.180 -2.378 1.00 97.89 48 A 1 ATOM 386 C CG2 . VAL A 1 48 ? -1.877 4.893 -0.506 1.00 97.88 48 A 1 ATOM 387 N N . ARG A 1 49 ? 1.140 8.341 -1.019 1.00 98.51 49 A 1 ATOM 388 C CA . ARG A 1 49 ? 2.196 9.203 -1.583 1.00 98.44 49 A 1 ATOM 389 C C . ARG A 1 49 ? 3.439 9.225 -0.701 1.00 98.35 49 A 1 ATOM 390 O O . ARG A 1 49 ? 4.526 9.038 -1.225 1.00 98.02 49 A 1 ATOM 391 C CB . ARG A 1 49 ? 1.679 10.623 -1.817 1.00 98.25 49 A 1 ATOM 392 C CG . ARG A 1 49 ? 0.706 10.678 -2.998 1.00 96.11 49 A 1 ATOM 393 C CD . ARG A 1 49 ? 0.196 12.104 -3.183 1.00 94.42 49 A 1 ATOM 394 N NE . ARG A 1 49 ? -0.785 12.178 -4.281 1.00 88.25 49 A 1 ATOM 395 C CZ . ARG A 1 49 ? -1.610 13.180 -4.527 1.00 83.29 49 A 1 ATOM 396 N NH1 . ARG A 1 49 ? -1.621 14.261 -3.795 1.00 76.52 49 A 1 ATOM 397 N NH2 . ARG A 1 49 ? -2.450 13.104 -5.518 1.00 77.17 49 A 1 ATOM 398 N N . GLN A 1 50 ? 3.274 9.358 0.610 1.00 98.41 50 A 1 ATOM 399 C CA . GLN A 1 50 ? 4.396 9.294 1.555 1.00 98.29 50 A 1 ATOM 400 C C . GLN A 1 50 ? 5.144 7.957 1.455 1.00 98.31 50 A 1 ATOM 401 O O . GLN A 1 50 ? 6.369 7.945 1.418 1.00 97.93 50 A 1 ATOM 402 C CB . GLN A 1 50 ? 3.894 9.499 2.992 1.00 97.96 50 A 1 ATOM 403 C CG . GLN A 1 50 ? 3.436 10.943 3.236 1.00 91.74 50 A 1 ATOM 404 C CD . GLN A 1 50 ? 2.835 11.156 4.624 1.00 90.75 50 A 1 ATOM 405 O OE1 . GLN A 1 50 ? 2.265 10.283 5.268 1.00 85.16 50 A 1 ATOM 406 N NE2 . GLN A 1 50 ? 2.913 12.359 5.148 1.00 81.82 50 A 1 ATOM 407 N N . TYR A 1 51 ? 4.430 6.833 1.350 1.00 98.19 51 A 1 ATOM 408 C CA . TYR A 1 51 ? 5.064 5.522 1.173 1.00 98.05 51 A 1 ATOM 409 C C . TYR A 1 51 ? 5.858 5.415 -0.133 1.00 97.94 51 A 1 ATOM 410 O O . TYR A 1 51 ? 6.917 4.803 -0.141 1.00 97.51 51 A 1 ATOM 411 C CB . TYR A 1 51 ? 4.001 4.422 1.235 1.00 97.94 51 A 1 ATOM 412 C CG . TYR A 1 51 ? 3.265 4.265 2.554 1.00 97.80 51 A 1 ATOM 413 C CD1 . TYR A 1 51 ? 3.868 4.625 3.777 1.00 96.86 51 A 1 ATOM 414 C CD2 . TYR A 1 51 ? 1.981 3.679 2.560 1.00 96.80 51 A 1 ATOM 415 C CE1 . TYR A 1 51 ? 3.198 4.402 4.993 1.00 96.21 51 A 1 ATOM 416 C CE2 . TYR A 1 51 ? 1.310 3.448 3.775 1.00 95.97 51 A 1 ATOM 417 C CZ . TYR A 1 51 ? 1.920 3.803 4.992 1.00 96.08 51 A 1 ATOM 418 O OH . TYR A 1 51 ? 1.282 3.561 6.165 1.00 94.33 51 A 1 ATOM 419 N N . LEU A 1 52 ? 5.378 6.023 -1.221 1.00 97.89 52 A 1 ATOM 420 C CA . LEU A 1 52 ? 6.088 6.043 -2.502 1.00 97.64 52 A 1 ATOM 421 C C . LEU A 1 52 ? 7.330 6.948 -2.489 1.00 97.28 52 A 1 ATOM 422 O O . LEU A 1 52 ? 8.235 6.722 -3.281 1.00 96.36 52 A 1 ATOM 423 C CB . LEU A 1 52 ? 5.119 6.467 -3.615 1.00 97.63 52 A 1 ATOM 424 C CG . LEU A 1 52 ? 4.002 5.448 -3.903 1.00 97.44 52 A 1 ATOM 425 C CD1 . LEU A 1 52 ? 3.013 6.039 -4.906 1.00 96.68 52 A 1 ATOM 426 C CD2 . LEU A 1 52 ? 4.536 4.132 -4.467 1.00 96.63 52 A 1 ATOM 427 N N . GLU A 1 53 ? 7.382 7.942 -1.606 1.00 97.17 53 A 1 ATOM 428 C CA . GLU A 1 53 ? 8.545 8.820 -1.401 1.00 96.26 53 A 1 ATOM 429 C C . GLU A 1 53 ? 9.612 8.185 -0.489 1.00 94.23 53 A 1 ATOM 430 O O . GLU A 1 53 ? 10.764 8.610 -0.509 1.00 88.77 53 A 1 ATOM 431 C CB . GLU A 1 53 ? 8.061 10.159 -0.814 1.00 95.61 53 A 1 ATOM 432 C CG . GLU A 1 53 ? 7.275 11.010 -1.830 1.00 93.17 53 A 1 ATOM 433 C CD . GLU A 1 53 ? 6.505 12.195 -1.202 1.00 89.29 53 A 1 ATOM 434 O OE1 . GLU A 1 53 ? 5.728 12.840 -1.948 1.00 84.01 53 A 1 ATOM 435 O OE2 . GLU A 1 53 ? 6.633 12.446 0.020 1.00 83.55 53 A 1 ATOM 436 N N . SER A 1 54 ? 9.254 7.155 0.284 1.00 92.20 54 A 1 ATOM 437 C CA . SER A 1 54 ? 10.141 6.453 1.227 1.00 86.38 54 A 1 ATOM 438 C C . SER A 1 54 ? 11.031 5.397 0.548 1.00 81.07 54 A 1 ATOM 439 O O . SER A 1 54 ? 11.184 4.287 1.059 1.00 73.02 54 A 1 ATOM 440 C CB . SER A 1 54 ? 9.324 5.824 2.371 1.00 83.82 54 A 1 ATOM 441 O OG . SER A 1 54 ? 8.560 6.790 3.063 1.00 76.80 54 A 1 ATOM 442 N N . CYS A 1 55 ? 11.588 5.716 -0.625 1.00 74.44 55 A 1 ATOM 443 C CA . CYS A 1 55 ? 12.513 4.857 -1.373 1.00 67.65 55 A 1 ATOM 444 C C . CYS A 1 55 ? 13.947 5.366 -1.257 1.00 62.26 55 A 1 ATOM 445 O O . CYS A 1 55 ? 14.149 6.590 -1.381 1.00 56.88 55 A 1 ATOM 446 C CB . CYS A 1 55 ? 12.052 4.734 -2.828 1.00 60.37 55 A 1 ATOM 447 S SG . CYS A 1 55 ? 12.945 3.399 -3.676 1.00 53.88 55 A 1 ATOM 448 O OXT . CYS A 1 55 ? 14.838 4.506 -1.038 1.00 53.08 55 A 1 #