# 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_enki # _entry.id enki # 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" "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" "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" "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 LEU 1 1 n ASN 2 1 n VAL 3 1 n ALA 4 1 n PRO 5 1 n PHE 6 1 n ILE 7 1 n ARG 8 1 n PRO 9 1 n LEU 10 1 n PHE 11 1 n LEU 12 1 n LEU 13 1 n VAL 14 1 n LYS 15 1 n SER 16 1 n PHE 17 1 n PHE 18 1 n TYR 19 1 n HIS 20 1 n SER 21 1 n TYR 22 1 n ILE 23 1 n PRO 24 1 n ILE 25 1 n VAL 26 1 n VAL 27 1 n LYS 28 1 n PHE 29 1 n LYS 30 1 n CYS 31 1 n LEU 32 1 n LYS 33 1 n CYS 34 1 n ASP 35 1 n VAL 36 1 n ARG 37 1 n ALA 38 1 n LYS 39 1 n ARG 40 1 n ARG 41 1 n ALA 42 1 n PHE 43 1 n SER 44 1 n LEU 45 1 n VAL 46 1 n ARG 47 1 n HIS 48 1 n THR 49 1 n LEU 50 1 n ASP 51 1 n ILE 52 # _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 @ 2025-04-07 01:38:52)" _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 65.05 _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 LEU 1 2 62.22 1 1 A ASN 2 2 61.93 1 2 A VAL 3 2 66.61 1 3 A ALA 4 2 70.50 1 4 A PRO 5 2 67.04 1 5 A PHE 6 2 61.23 1 6 A ILE 7 2 64.62 1 7 A ARG 8 2 65.81 1 8 A PRO 9 2 70.02 1 9 A LEU 10 2 69.84 1 10 A PHE 11 2 64.33 1 11 A LEU 12 2 74.79 1 12 A LEU 13 2 73.05 1 13 A VAL 14 2 72.94 1 14 A LYS 15 2 69.57 1 15 A SER 16 2 71.16 1 16 A PHE 17 2 67.49 1 17 A PHE 18 2 66.36 1 18 A TYR 19 2 66.02 1 19 A HIS 20 2 67.28 1 20 A SER 21 2 69.12 1 21 A TYR 22 2 59.62 1 22 A ILE 23 2 65.16 1 23 A PRO 24 2 64.17 1 24 A ILE 25 2 66.20 1 25 A VAL 26 2 68.25 1 26 A VAL 27 2 65.46 1 27 A LYS 28 2 63.49 1 28 A PHE 29 2 61.54 1 29 A LYS 30 2 65.94 1 30 A CYS 31 2 61.63 1 31 A LEU 32 2 68.21 1 32 A LYS 33 2 64.60 1 33 A CYS 34 2 66.52 1 34 A ASP 35 2 61.64 1 35 A VAL 36 2 68.24 1 36 A ARG 37 2 64.53 1 37 A ALA 38 2 70.01 1 38 A LYS 39 2 65.35 1 39 A ARG 40 2 63.86 1 40 A ARG 41 2 63.54 1 41 A ALA 42 2 70.98 1 42 A PHE 43 2 59.74 1 43 A SER 44 2 65.35 1 44 A LEU 45 2 62.02 1 45 A VAL 46 2 63.91 1 46 A ARG 47 2 57.46 1 47 A HIS 48 2 62.91 1 48 A THR 49 2 63.62 1 49 A LEU 50 2 63.48 1 50 A ASP 51 2 56.99 1 51 A ILE 52 2 57.18 1 52 # _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 LEU . 1 A 1 A 2 1 n ASN . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n TYR . 19 A 19 A 20 1 n HIS . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n TYR . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n CYS . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n CYS . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n VAL . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n ARG . 40 A 40 A 41 1 n ARG . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n PHE . 43 A 43 A 44 1 n SER . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n HIS . 48 A 48 A 49 1 n THR . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n ASP . 51 A 51 A 52 1 n ILE . 52 A 52 # _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 . LEU A 1 1 ? -33.862 -5.318 25.853 1.00 65.87 1 A 1 ATOM 2 C CA . LEU A 1 1 ? -33.147 -4.404 24.936 1.00 67.84 1 A 1 ATOM 3 C C . LEU A 1 1 ? -32.749 -5.173 23.688 1.00 67.69 1 A 1 ATOM 4 O O . LEU A 1 1 ? -31.875 -6.028 23.763 1.00 63.48 1 A 1 ATOM 5 C CB . LEU A 1 1 ? -31.919 -3.814 25.645 1.00 64.76 1 A 1 ATOM 6 C CG . LEU A 1 1 ? -32.295 -2.613 26.525 1.00 57.52 1 A 1 ATOM 7 C CD1 . LEU A 1 1 ? -31.412 -2.545 27.762 1.00 54.56 1 A 1 ATOM 8 C CD2 . LEU A 1 1 ? -32.136 -1.313 25.723 1.00 56.00 1 A 1 ATOM 9 N N . ASN A 1 2 ? -33.427 -4.947 22.551 1.00 66.40 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -33.193 -5.696 21.319 1.00 66.33 2 A 1 ATOM 11 C C . ASN A 1 2 ? -32.043 -5.014 20.547 1.00 63.22 2 A 1 ATOM 12 O O . ASN A 1 2 ? -32.246 -4.012 19.877 1.00 61.31 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -34.529 -5.806 20.556 1.00 64.45 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -34.589 -7.010 19.635 1.00 59.85 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -33.585 -7.572 19.249 1.00 56.75 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -35.773 -7.460 19.276 1.00 57.12 2 A 1 ATOM 17 N N . VAL A 1 3 ? -30.827 -5.507 20.697 1.00 71.19 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -29.598 -4.938 20.110 1.00 70.39 3 A 1 ATOM 19 C C . VAL A 1 3 ? -29.395 -5.330 18.641 1.00 69.71 3 A 1 ATOM 20 O O . VAL A 1 3 ? -28.607 -4.703 17.932 1.00 66.94 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -28.339 -5.306 20.940 1.00 67.54 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -27.701 -4.042 21.508 1.00 59.99 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -28.581 -6.276 22.098 1.00 60.49 3 A 1 ATOM 24 N N . ALA A 1 4 ? -30.148 -6.318 18.160 1.00 72.29 4 A 1 ATOM 25 C CA . ALA A 1 4 ? -30.054 -6.854 16.802 1.00 71.86 4 A 1 ATOM 26 C C . ALA A 1 4 ? -30.194 -5.808 15.663 1.00 70.17 4 A 1 ATOM 27 O O . ALA A 1 4 ? -29.423 -5.894 14.702 1.00 68.06 4 A 1 ATOM 28 C CB . ALA A 1 4 ? -31.068 -8.000 16.666 1.00 70.12 4 A 1 ATOM 29 N N . PRO A 1 5 ? -31.094 -4.799 15.719 1.00 66.90 5 A 1 ATOM 30 C CA . PRO A 1 5 ? -31.221 -3.823 14.632 1.00 69.06 5 A 1 ATOM 31 C C . PRO A 1 5 ? -30.053 -2.820 14.569 1.00 70.42 5 A 1 ATOM 32 O O . PRO A 1 5 ? -29.824 -2.235 13.518 1.00 66.64 5 A 1 ATOM 33 C CB . PRO A 1 5 ? -32.574 -3.144 14.868 1.00 66.04 5 A 1 ATOM 34 C CG . PRO A 1 5 ? -32.788 -3.266 16.368 1.00 63.48 5 A 1 ATOM 35 C CD . PRO A 1 5 ? -32.142 -4.608 16.699 1.00 66.76 5 A 1 ATOM 36 N N . PHE A 1 6 ? -29.276 -2.640 15.638 1.00 68.38 6 A 1 ATOM 37 C CA . PHE A 1 6 ? -28.143 -1.705 15.683 1.00 67.48 6 A 1 ATOM 38 C C . PHE A 1 6 ? -26.825 -2.313 15.185 1.00 68.08 6 A 1 ATOM 39 O O . PHE A 1 6 ? -25.954 -1.590 14.699 1.00 68.16 6 A 1 ATOM 40 C CB . PHE A 1 6 ? -27.987 -1.165 17.113 1.00 64.87 6 A 1 ATOM 41 C CG . PHE A 1 6 ? -28.565 0.222 17.270 1.00 60.89 6 A 1 ATOM 42 C CD1 . PHE A 1 6 ? -27.744 1.344 17.049 1.00 57.35 6 A 1 ATOM 43 C CD2 . PHE A 1 6 ? -29.914 0.402 17.611 1.00 57.78 6 A 1 ATOM 44 C CE1 . PHE A 1 6 ? -28.268 2.638 17.175 1.00 52.21 6 A 1 ATOM 45 C CE2 . PHE A 1 6 ? -30.444 1.697 17.735 1.00 53.70 6 A 1 ATOM 46 C CZ . PHE A 1 6 ? -29.618 2.815 17.522 1.00 54.63 6 A 1 ATOM 47 N N . ILE A 1 7 ? -26.679 -3.641 15.275 1.00 65.36 7 A 1 ATOM 48 C CA . ILE A 1 7 ? -25.436 -4.333 14.893 1.00 65.94 7 A 1 ATOM 49 C C . ILE A 1 7 ? -25.201 -4.239 13.378 1.00 65.82 7 A 1 ATOM 50 O O . ILE A 1 7 ? -24.072 -4.031 12.929 1.00 64.16 7 A 1 ATOM 51 C CB . ILE A 1 7 ? -25.473 -5.797 15.400 1.00 66.03 7 A 1 ATOM 52 C CG1 . ILE A 1 7 ? -25.528 -5.838 16.946 1.00 65.03 7 A 1 ATOM 53 C CG2 . ILE A 1 7 ? -24.256 -6.594 14.899 1.00 62.85 7 A 1 ATOM 54 C CD1 . ILE A 1 7 ? -25.852 -7.219 17.529 1.00 61.75 7 A 1 ATOM 55 N N . ARG A 1 8 ? -26.263 -4.342 12.563 1.00 75.44 8 A 1 ATOM 56 C CA . ARG A 1 8 ? -26.178 -4.325 11.092 1.00 73.95 8 A 1 ATOM 57 C C . ARG A 1 8 ? -25.697 -2.979 10.520 1.00 72.71 8 A 1 ATOM 58 O O . ARG A 1 8 ? -24.746 -2.995 9.738 1.00 73.25 8 A 1 ATOM 59 C CB . ARG A 1 8 ? -27.515 -4.817 10.509 1.00 72.81 8 A 1 ATOM 60 C CG . ARG A 1 8 ? -27.318 -5.686 9.260 1.00 67.98 8 A 1 ATOM 61 C CD . ARG A 1 8 ? -28.669 -6.253 8.806 1.00 65.48 8 A 1 ATOM 62 N NE . ARG A 1 8 ? -28.517 -7.177 7.663 1.00 61.90 8 A 1 ATOM 63 C CZ . ARG A 1 8 ? -29.418 -8.061 7.249 1.00 55.43 8 A 1 ATOM 64 N NH1 . ARG A 1 8 ? -30.581 -8.192 7.826 1.00 52.08 8 A 1 ATOM 65 N NH2 . ARG A 1 8 ? -29.165 -8.834 6.229 1.00 52.87 8 A 1 ATOM 66 N N . PRO A 1 9 ? -26.268 -1.821 10.906 1.00 72.19 9 A 1 ATOM 67 C CA . PRO A 1 9 ? -25.777 -0.524 10.436 1.00 72.28 9 A 1 ATOM 68 C C . PRO A 1 9 ? -24.386 -0.195 10.989 1.00 73.23 9 A 1 ATOM 69 O O . PRO A 1 9 ? -23.559 0.332 10.249 1.00 71.11 9 A 1 ATOM 70 C CB . PRO A 1 9 ? -26.836 0.499 10.867 1.00 68.83 9 A 1 ATOM 71 C CG . PRO A 1 9 ? -27.526 -0.156 12.055 1.00 64.64 9 A 1 ATOM 72 C CD . PRO A 1 9 ? -27.473 -1.638 11.703 1.00 67.86 9 A 1 ATOM 73 N N . LEU A 1 10 ? -24.083 -0.575 12.234 1.00 73.57 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -22.752 -0.399 12.814 1.00 73.37 10 A 1 ATOM 75 C C . LEU A 1 10 ? -21.694 -1.186 12.035 1.00 74.80 10 A 1 ATOM 76 O O . LEU A 1 10 ? -20.641 -0.651 11.702 1.00 74.99 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -22.800 -0.831 14.292 1.00 72.37 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -21.551 -0.406 15.084 1.00 65.38 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -21.604 1.077 15.449 1.00 60.60 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -21.452 -1.216 16.377 1.00 63.62 10 A 1 ATOM 81 N N . PHE A 1 11 ? -21.988 -2.437 11.666 1.00 70.93 11 A 1 ATOM 82 C CA . PHE A 1 11 ? -21.091 -3.271 10.866 1.00 70.37 11 A 1 ATOM 83 C C . PHE A 1 11 ? -20.842 -2.676 9.471 1.00 71.37 11 A 1 ATOM 84 O O . PHE A 1 11 ? -19.710 -2.688 8.985 1.00 72.45 11 A 1 ATOM 85 C CB . PHE A 1 11 ? -21.677 -4.686 10.768 1.00 68.94 11 A 1 ATOM 86 C CG . PHE A 1 11 ? -20.772 -5.669 10.051 1.00 64.00 11 A 1 ATOM 87 C CD1 . PHE A 1 11 ? -20.988 -5.986 8.692 1.00 60.16 11 A 1 ATOM 88 C CD2 . PHE A 1 11 ? -19.695 -6.260 10.738 1.00 61.18 11 A 1 ATOM 89 C CE1 . PHE A 1 11 ? -20.139 -6.891 8.032 1.00 54.48 11 A 1 ATOM 90 C CE2 . PHE A 1 11 ? -18.844 -7.166 10.077 1.00 55.77 11 A 1 ATOM 91 C CZ . PHE A 1 11 ? -19.068 -7.482 8.725 1.00 57.98 11 A 1 ATOM 92 N N . LEU A 1 12 ? -21.871 -2.118 8.829 1.00 77.89 12 A 1 ATOM 93 C CA . LEU A 1 12 ? -21.732 -1.460 7.526 1.00 76.45 12 A 1 ATOM 94 C C . LEU A 1 12 ? -20.885 -0.181 7.613 1.00 77.33 12 A 1 ATOM 95 O O . LEU A 1 12 ? -20.027 0.033 6.756 1.00 77.51 12 A 1 ATOM 96 C CB . LEU A 1 12 ? -23.124 -1.159 6.946 1.00 76.68 12 A 1 ATOM 97 C CG . LEU A 1 12 ? -23.903 -2.405 6.485 1.00 72.48 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? -25.324 -1.997 6.099 1.00 68.12 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? -23.257 -3.091 5.281 1.00 71.87 12 A 1 ATOM 100 N N . LEU A 1 13 ? -21.067 0.626 8.664 1.00 77.34 13 A 1 ATOM 101 C CA . LEU A 1 13 ? -20.257 1.824 8.912 1.00 76.44 13 A 1 ATOM 102 C C . LEU A 1 13 ? -18.788 1.471 9.153 1.00 77.00 13 A 1 ATOM 103 O O . LEU A 1 13 ? -17.907 2.053 8.522 1.00 78.65 13 A 1 ATOM 104 C CB . LEU A 1 13 ? -20.829 2.589 10.118 1.00 76.41 13 A 1 ATOM 105 C CG . LEU A 1 13 ? -22.100 3.391 9.803 1.00 68.94 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? -22.713 3.908 11.108 1.00 63.15 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? -21.802 4.597 8.907 1.00 66.43 13 A 1 ATOM 108 N N . VAL A 1 14 ? -18.531 0.479 10.003 1.00 77.30 14 A 1 ATOM 109 C CA . VAL A 1 14 ? -17.173 -0.010 10.273 1.00 75.18 14 A 1 ATOM 110 C C . VAL A 1 14 ? -16.538 -0.540 8.986 1.00 74.30 14 A 1 ATOM 111 O O . VAL A 1 14 ? -15.434 -0.132 8.631 1.00 71.28 14 A 1 ATOM 112 C CB . VAL A 1 14 ? -17.195 -1.071 11.395 1.00 74.24 14 A 1 ATOM 113 C CG1 . VAL A 1 14 ? -15.841 -1.757 11.588 1.00 68.38 14 A 1 ATOM 114 C CG2 . VAL A 1 14 ? -17.557 -0.428 12.742 1.00 69.92 14 A 1 ATOM 115 N N . LYS A 1 15 ? -17.248 -1.363 8.211 1.00 79.52 15 A 1 ATOM 116 C CA . LYS A 1 15 ? -16.749 -1.895 6.936 1.00 75.46 15 A 1 ATOM 117 C C . LYS A 1 15 ? -16.440 -0.787 5.923 1.00 74.11 15 A 1 ATOM 118 O O . LYS A 1 15 ? -15.402 -0.844 5.268 1.00 74.13 15 A 1 ATOM 119 C CB . LYS A 1 15 ? -17.761 -2.913 6.394 1.00 73.64 15 A 1 ATOM 120 C CG . LYS A 1 15 ? -17.220 -3.675 5.181 1.00 67.95 15 A 1 ATOM 121 C CD . LYS A 1 15 ? -18.230 -4.723 4.702 1.00 64.80 15 A 1 ATOM 122 C CE . LYS A 1 15 ? -17.660 -5.465 3.484 1.00 62.10 15 A 1 ATOM 123 N NZ . LYS A 1 15 ? -18.610 -6.486 2.968 1.00 54.40 15 A 1 ATOM 124 N N . SER A 1 16 ? -17.307 0.221 5.822 1.00 74.03 16 A 1 ATOM 125 C CA . SER A 1 16 ? -17.096 1.376 4.938 1.00 72.63 16 A 1 ATOM 126 C C . SER A 1 16 ? -15.882 2.205 5.367 1.00 71.66 16 A 1 ATOM 127 O O . SER A 1 16 ? -15.042 2.545 4.533 1.00 71.73 16 A 1 ATOM 128 C CB . SER A 1 16 ? -18.359 2.241 4.921 1.00 72.52 16 A 1 ATOM 129 O OG . SER A 1 16 ? -18.227 3.252 3.944 1.00 64.36 16 A 1 ATOM 130 N N . PHE A 1 17 ? -15.734 2.465 6.665 1.00 73.88 17 A 1 ATOM 131 C CA . PHE A 1 17 ? -14.595 3.199 7.218 1.00 71.94 17 A 1 ATOM 132 C C . PHE A 1 17 ? -13.270 2.461 6.985 1.00 72.07 17 A 1 ATOM 133 O O . PHE A 1 17 ? -12.292 3.056 6.526 1.00 71.95 17 A 1 ATOM 134 C CB . PHE A 1 17 ? -14.846 3.441 8.711 1.00 71.52 17 A 1 ATOM 135 C CG . PHE A 1 17 ? -13.810 4.345 9.339 1.00 68.15 17 A 1 ATOM 136 C CD1 . PHE A 1 17 ? -12.703 3.801 10.017 1.00 64.85 17 A 1 ATOM 137 C CD2 . PHE A 1 17 ? -13.940 5.742 9.221 1.00 65.24 17 A 1 ATOM 138 C CE1 . PHE A 1 17 ? -11.734 4.647 10.578 1.00 59.55 17 A 1 ATOM 139 C CE2 . PHE A 1 17 ? -12.969 6.589 9.781 1.00 60.81 17 A 1 ATOM 140 C CZ . PHE A 1 17 ? -11.867 6.040 10.460 1.00 62.41 17 A 1 ATOM 141 N N . PHE A 1 18 ? -13.250 1.149 7.229 1.00 71.91 18 A 1 ATOM 142 C CA . PHE A 1 18 ? -12.081 0.322 6.932 1.00 70.86 18 A 1 ATOM 143 C C . PHE A 1 18 ? -11.759 0.318 5.439 1.00 71.02 18 A 1 ATOM 144 O O . PHE A 1 18 ? -10.596 0.472 5.075 1.00 70.93 18 A 1 ATOM 145 C CB . PHE A 1 18 ? -12.276 -1.107 7.460 1.00 70.20 18 A 1 ATOM 146 C CG . PHE A 1 18 ? -11.800 -1.285 8.891 1.00 67.27 18 A 1 ATOM 147 C CD1 . PHE A 1 18 ? -10.425 -1.402 9.154 1.00 63.83 18 A 1 ATOM 148 C CD2 . PHE A 1 18 ? -12.712 -1.321 9.957 1.00 63.84 18 A 1 ATOM 149 C CE1 . PHE A 1 18 ? -9.968 -1.543 10.474 1.00 58.50 18 A 1 ATOM 150 C CE2 . PHE A 1 18 ? -12.259 -1.459 11.280 1.00 59.76 18 A 1 ATOM 151 C CZ . PHE A 1 18 ? -10.885 -1.569 11.536 1.00 61.86 18 A 1 ATOM 152 N N . TYR A 1 19 ? -12.755 0.216 4.563 1.00 71.16 19 A 1 ATOM 153 C CA . TYR A 1 19 ? -12.539 0.225 3.113 1.00 70.76 19 A 1 ATOM 154 C C . TYR A 1 19 ? -11.946 1.560 2.630 1.00 70.02 19 A 1 ATOM 155 O O . TYR A 1 19 ? -10.932 1.571 1.925 1.00 69.24 19 A 1 ATOM 156 C CB . TYR A 1 19 ? -13.861 -0.106 2.417 1.00 71.02 19 A 1 ATOM 157 C CG . TYR A 1 19 ? -13.705 -0.438 0.952 1.00 65.99 19 A 1 ATOM 158 C CD1 . TYR A 1 19 ? -14.039 0.508 -0.034 1.00 65.59 19 A 1 ATOM 159 C CD2 . TYR A 1 19 ? -13.249 -1.715 0.569 1.00 65.46 19 A 1 ATOM 160 C CE1 . TYR A 1 19 ? -13.909 0.186 -1.396 1.00 59.46 19 A 1 ATOM 161 C CE2 . TYR A 1 19 ? -13.110 -2.042 -0.794 1.00 62.23 19 A 1 ATOM 162 C CZ . TYR A 1 19 ? -13.440 -1.087 -1.776 1.00 61.95 19 A 1 ATOM 163 O OH . TYR A 1 19 ? -13.294 -1.392 -3.097 1.00 59.34 19 A 1 ATOM 164 N N . HIS A 1 20 ? -12.506 2.688 3.074 1.00 71.85 20 A 1 ATOM 165 C CA . HIS A 1 20 ? -11.996 4.019 2.732 1.00 72.19 20 A 1 ATOM 166 C C . HIS A 1 20 ? -10.599 4.301 3.293 1.00 71.14 20 A 1 ATOM 167 O O . HIS A 1 20 ? -9.813 4.984 2.643 1.00 70.82 20 A 1 ATOM 168 C CB . HIS A 1 20 ? -12.984 5.095 3.203 1.00 72.57 20 A 1 ATOM 169 C CG . HIS A 1 20 ? -13.970 5.454 2.126 1.00 66.81 20 A 1 ATOM 170 N ND1 . HIS A 1 20 ? -13.701 6.276 1.050 1.00 61.06 20 A 1 ATOM 171 C CD2 . HIS A 1 20 ? -15.268 5.046 2.004 1.00 61.30 20 A 1 ATOM 172 C CE1 . HIS A 1 20 ? -14.816 6.351 0.305 1.00 62.12 20 A 1 ATOM 173 N NE2 . HIS A 1 20 ? -15.793 5.616 0.844 1.00 62.93 20 A 1 ATOM 174 N N . SER A 1 21 ? -10.284 3.765 4.477 1.00 72.05 21 A 1 ATOM 175 C CA . SER A 1 21 ? -8.967 3.953 5.099 1.00 70.34 21 A 1 ATOM 176 C C . SER A 1 21 ? -7.915 2.986 4.547 1.00 69.74 21 A 1 ATOM 177 O O . SER A 1 21 ? -6.747 3.344 4.409 1.00 69.05 21 A 1 ATOM 178 C CB . SER A 1 21 ? -9.083 3.802 6.621 1.00 69.99 21 A 1 ATOM 179 O OG . SER A 1 21 ? -10.042 4.715 7.132 1.00 63.55 21 A 1 ATOM 180 N N . TYR A 1 22 ? -8.316 1.766 4.182 1.00 63.73 22 A 1 ATOM 181 C CA . TYR A 1 22 ? -7.407 0.708 3.735 1.00 63.97 22 A 1 ATOM 182 C C . TYR A 1 22 ? -6.937 0.907 2.290 1.00 63.39 22 A 1 ATOM 183 O O . TYR A 1 22 ? -5.753 0.721 2.001 1.00 63.91 22 A 1 ATOM 184 C CB . TYR A 1 22 ? -8.107 -0.645 3.917 1.00 64.11 22 A 1 ATOM 185 C CG . TYR A 1 22 ? -7.220 -1.841 3.659 1.00 58.77 22 A 1 ATOM 186 C CD1 . TYR A 1 22 ? -7.348 -2.581 2.469 1.00 58.64 22 A 1 ATOM 187 C CD2 . TYR A 1 22 ? -6.272 -2.226 4.627 1.00 59.25 22 A 1 ATOM 188 C CE1 . TYR A 1 22 ? -6.535 -3.704 2.249 1.00 52.65 22 A 1 ATOM 189 C CE2 . TYR A 1 22 ? -5.452 -3.348 4.407 1.00 55.47 22 A 1 ATOM 190 C CZ . TYR A 1 22 ? -5.585 -4.088 3.217 1.00 55.81 22 A 1 ATOM 191 O OH . TYR A 1 22 ? -4.786 -5.170 2.995 1.00 55.76 22 A 1 ATOM 192 N N . ILE A 1 23 ? -7.818 1.355 1.389 1.00 67.60 23 A 1 ATOM 193 C CA . ILE A 1 23 ? -7.459 1.607 -0.016 1.00 67.32 23 A 1 ATOM 194 C C . ILE A 1 23 ? -6.283 2.587 -0.147 1.00 65.90 23 A 1 ATOM 195 O O . ILE A 1 23 ? -5.292 2.216 -0.775 1.00 63.53 23 A 1 ATOM 196 C CB . ILE A 1 23 ? -8.688 2.046 -0.843 1.00 67.60 23 A 1 ATOM 197 C CG1 . ILE A 1 23 ? -9.651 0.856 -1.019 1.00 64.46 23 A 1 ATOM 198 C CG2 . ILE A 1 23 ? -8.268 2.589 -2.222 1.00 64.07 23 A 1 ATOM 199 C CD1 . ILE A 1 23 ? -10.977 1.267 -1.649 1.00 60.82 23 A 1 ATOM 200 N N . PRO A 1 24 ? -6.318 3.813 0.427 1.00 65.85 24 A 1 ATOM 201 C CA . PRO A 1 24 ? -5.217 4.762 0.281 1.00 65.81 24 A 1 ATOM 202 C C . PRO A 1 24 ? -3.919 4.252 0.916 1.00 66.87 24 A 1 ATOM 203 O O . PRO A 1 24 ? -2.843 4.522 0.387 1.00 65.38 24 A 1 ATOM 204 C CB . PRO A 1 24 ? -5.701 6.069 0.923 1.00 63.45 24 A 1 ATOM 205 C CG . PRO A 1 24 ? -6.776 5.629 1.909 1.00 59.43 24 A 1 ATOM 206 C CD . PRO A 1 24 ? -7.391 4.422 1.208 1.00 62.42 24 A 1 ATOM 207 N N . ILE A 1 25 ? -3.999 3.473 1.997 1.00 65.60 25 A 1 ATOM 208 C CA . ILE A 1 25 ? -2.828 2.853 2.626 1.00 67.36 25 A 1 ATOM 209 C C . ILE A 1 25 ? -2.206 1.826 1.675 1.00 67.29 25 A 1 ATOM 210 O O . ILE A 1 25 ? -1.012 1.902 1.381 1.00 65.55 25 A 1 ATOM 211 C CB . ILE A 1 25 ? -3.206 2.254 4.000 1.00 68.83 25 A 1 ATOM 212 C CG1 . ILE A 1 25 ? -3.584 3.381 4.995 1.00 65.65 25 A 1 ATOM 213 C CG2 . ILE A 1 25 ? -2.051 1.420 4.577 1.00 65.92 25 A 1 ATOM 214 C CD1 . ILE A 1 25 ? -4.258 2.876 6.277 1.00 63.39 25 A 1 ATOM 215 N N . VAL A 1 26 ? -3.005 0.909 1.122 1.00 70.36 26 A 1 ATOM 216 C CA . VAL A 1 26 ? -2.521 -0.114 0.176 1.00 70.71 26 A 1 ATOM 217 C C . VAL A 1 26 ? -1.941 0.520 -1.088 1.00 69.55 26 A 1 ATOM 218 O O . VAL A 1 26 ? -0.896 0.081 -1.572 1.00 67.41 26 A 1 ATOM 219 C CB . VAL A 1 26 ? -3.650 -1.098 -0.179 1.00 70.70 26 A 1 ATOM 220 C CG1 . VAL A 1 26 ? -3.263 -2.065 -1.314 1.00 64.10 26 A 1 ATOM 221 C CG2 . VAL A 1 26 ? -3.992 -1.959 1.036 1.00 64.90 26 A 1 ATOM 222 N N . VAL A 1 27 ? -2.576 1.566 -1.617 1.00 68.74 27 A 1 ATOM 223 C CA . VAL A 1 27 ? -2.080 2.310 -2.783 1.00 68.42 27 A 1 ATOM 224 C C . VAL A 1 27 ? -0.744 2.984 -2.467 1.00 67.81 27 A 1 ATOM 225 O O . VAL A 1 27 ? 0.199 2.824 -3.243 1.00 64.57 27 A 1 ATOM 226 C CB . VAL A 1 27 ? -3.129 3.321 -3.282 1.00 67.32 27 A 1 ATOM 227 C CG1 . VAL A 1 27 ? -2.573 4.233 -4.384 1.00 60.36 27 A 1 ATOM 228 C CG2 . VAL A 1 27 ? -4.337 2.585 -3.878 1.00 60.97 27 A 1 ATOM 229 N N . LYS A 1 28 ? -0.612 3.645 -1.315 1.00 68.47 28 A 1 ATOM 230 C CA . LYS A 1 28 ? 0.664 4.232 -0.874 1.00 68.12 28 A 1 ATOM 231 C C . LYS A 1 28 ? 1.764 3.180 -0.730 1.00 66.76 28 A 1 ATOM 232 O O . LYS A 1 28 ? 2.865 3.395 -1.227 1.00 67.68 28 A 1 ATOM 233 C CB . LYS A 1 28 ? 0.489 5.003 0.444 1.00 68.28 28 A 1 ATOM 234 C CG . LYS A 1 28 ? -0.057 6.421 0.220 1.00 62.54 28 A 1 ATOM 235 C CD . LYS A 1 28 ? -0.100 7.199 1.544 1.00 60.73 28 A 1 ATOM 236 C CE . LYS A 1 28 ? -0.553 8.644 1.306 1.00 57.91 28 A 1 ATOM 237 N NZ . LYS A 1 28 ? -0.482 9.461 2.548 1.00 50.92 28 A 1 ATOM 238 N N . PHE A 1 29 ? 1.470 2.027 -0.124 1.00 66.35 29 A 1 ATOM 239 C CA . PHE A 1 29 ? 2.447 0.944 0.005 1.00 66.41 29 A 1 ATOM 240 C C . PHE A 1 29 ? 2.866 0.360 -1.346 1.00 66.11 29 A 1 ATOM 241 O O . PHE A 1 29 ? 4.053 0.100 -1.565 1.00 63.69 29 A 1 ATOM 242 C CB . PHE A 1 29 ? 1.886 -0.162 0.912 1.00 66.65 29 A 1 ATOM 243 C CG . PHE A 1 29 ? 2.209 0.044 2.379 1.00 62.47 29 A 1 ATOM 244 C CD1 . PHE A 1 29 ? 3.523 -0.169 2.836 1.00 58.56 29 A 1 ATOM 245 C CD2 . PHE A 1 29 ? 1.213 0.436 3.289 1.00 59.34 29 A 1 ATOM 246 C CE1 . PHE A 1 29 ? 3.840 0.016 4.191 1.00 53.90 29 A 1 ATOM 247 C CE2 . PHE A 1 29 ? 1.527 0.625 4.648 1.00 56.90 29 A 1 ATOM 248 C CZ . PHE A 1 29 ? 2.843 0.414 5.098 1.00 56.51 29 A 1 ATOM 249 N N . LYS A 1 30 ? 1.925 0.170 -2.281 1.00 72.08 30 A 1 ATOM 250 C CA . LYS A 1 30 ? 2.241 -0.276 -3.643 1.00 70.78 30 A 1 ATOM 251 C C . LYS A 1 30 ? 3.096 0.746 -4.383 1.00 70.17 30 A 1 ATOM 252 O O . LYS A 1 30 ? 4.090 0.356 -4.989 1.00 68.54 30 A 1 ATOM 253 C CB . LYS A 1 30 ? 0.961 -0.583 -4.435 1.00 71.60 30 A 1 ATOM 254 C CG . LYS A 1 30 ? 0.403 -1.976 -4.121 1.00 66.47 30 A 1 ATOM 255 C CD . LYS A 1 30 ? -0.768 -2.296 -5.059 1.00 62.47 30 A 1 ATOM 256 C CE . LYS A 1 30 ? -1.276 -3.724 -4.839 1.00 59.66 30 A 1 ATOM 257 N NZ . LYS A 1 30 ? -2.378 -4.066 -5.779 1.00 51.65 30 A 1 ATOM 258 N N . CYS A 1 31 ? 2.752 2.027 -4.292 1.00 64.17 31 A 1 ATOM 259 C CA . CYS A 1 31 ? 3.509 3.115 -4.904 1.00 63.93 31 A 1 ATOM 260 C C . CYS A 1 31 ? 4.943 3.165 -4.355 1.00 64.72 31 A 1 ATOM 261 O O . CYS A 1 31 ? 5.890 3.059 -5.128 1.00 62.78 31 A 1 ATOM 262 C CB . CYS A 1 31 ? 2.747 4.430 -4.675 1.00 61.46 31 A 1 ATOM 263 S SG . CYS A 1 31 ? 3.410 5.693 -5.793 1.00 52.71 31 A 1 ATOM 264 N N . LEU A 1 32 ? 5.102 3.151 -3.031 1.00 69.27 32 A 1 ATOM 265 C CA . LEU A 1 32 ? 6.414 3.136 -2.381 1.00 70.68 32 A 1 ATOM 266 C C . LEU A 1 32 ? 7.261 1.926 -2.803 1.00 70.74 32 A 1 ATOM 267 O O . LEU A 1 32 ? 8.455 2.052 -3.072 1.00 68.61 32 A 1 ATOM 268 C CB . LEU A 1 32 ? 6.187 3.153 -0.858 1.00 73.31 32 A 1 ATOM 269 C CG . LEU A 1 32 ? 7.480 3.343 -0.044 1.00 66.59 32 A 1 ATOM 270 C CD1 . LEU A 1 32 ? 8.040 4.754 -0.196 1.00 62.70 32 A 1 ATOM 271 C CD2 . LEU A 1 32 ? 7.205 3.087 1.437 1.00 63.80 32 A 1 ATOM 272 N N . LYS A 1 33 ? 6.649 0.746 -2.919 1.00 69.51 33 A 1 ATOM 273 C CA . LYS A 1 33 ? 7.339 -0.463 -3.391 1.00 69.50 33 A 1 ATOM 274 C C . LYS A 1 33 ? 7.779 -0.348 -4.853 1.00 67.74 33 A 1 ATOM 275 O O . LYS A 1 33 ? 8.863 -0.826 -5.198 1.00 67.22 33 A 1 ATOM 276 C CB . LYS A 1 33 ? 6.433 -1.680 -3.151 1.00 69.81 33 A 1 ATOM 277 C CG . LYS A 1 33 ? 7.163 -3.005 -3.418 1.00 64.11 33 A 1 ATOM 278 C CD . LYS A 1 33 ? 6.266 -4.192 -3.043 1.00 62.38 33 A 1 ATOM 279 C CE . LYS A 1 33 ? 7.017 -5.520 -3.245 1.00 58.95 33 A 1 ATOM 280 N NZ . LYS A 1 33 ? 6.215 -6.680 -2.781 1.00 52.17 33 A 1 ATOM 281 N N . CYS A 1 34 ? 6.958 0.270 -5.707 1.00 69.71 34 A 1 ATOM 282 C CA . CYS A 1 34 ? 7.302 0.553 -7.097 1.00 68.73 34 A 1 ATOM 283 C C . CYS A 1 34 ? 8.450 1.561 -7.198 1.00 69.58 34 A 1 ATOM 284 O O . CYS A 1 34 ? 9.412 1.288 -7.909 1.00 66.46 34 A 1 ATOM 285 C CB . CYS A 1 34 ? 6.056 1.037 -7.857 1.00 66.56 34 A 1 ATOM 286 S SG . CYS A 1 34 ? 4.942 -0.362 -8.160 1.00 58.10 34 A 1 ATOM 287 N N . ASP A 1 35 ? 8.408 2.645 -6.418 1.00 64.07 35 A 1 ATOM 288 C CA . ASP A 1 35 ? 9.458 3.664 -6.384 1.00 66.15 35 A 1 ATOM 289 C C . ASP A 1 35 ? 10.794 3.094 -5.903 1.00 66.78 35 A 1 ATOM 290 O O . ASP A 1 35 ? 11.828 3.306 -6.533 1.00 66.48 35 A 1 ATOM 291 C CB . ASP A 1 35 ? 9.038 4.825 -5.468 1.00 64.27 35 A 1 ATOM 292 C CG . ASP A 1 35 ? 7.969 5.717 -6.090 1.00 57.15 35 A 1 ATOM 293 O OD1 . ASP A 1 35 ? 8.027 5.893 -7.329 1.00 54.66 35 A 1 ATOM 294 O OD2 . ASP A 1 35 ? 7.129 6.216 -5.318 1.00 53.55 35 A 1 ATOM 295 N N . VAL A 1 36 ? 10.781 2.295 -4.837 1.00 69.96 36 A 1 ATOM 296 C CA . VAL A 1 36 ? 11.994 1.622 -4.345 1.00 70.81 36 A 1 ATOM 297 C C . VAL A 1 36 ? 12.564 0.667 -5.396 1.00 71.52 36 A 1 ATOM 298 O O . VAL A 1 36 ? 13.780 0.616 -5.593 1.00 69.15 36 A 1 ATOM 299 C CB . VAL A 1 36 ? 11.713 0.887 -3.020 1.00 70.11 36 A 1 ATOM 300 C CG1 . VAL A 1 36 ? 12.886 -0.002 -2.577 1.00 62.86 36 A 1 ATOM 301 C CG2 . VAL A 1 36 ? 11.463 1.892 -1.886 1.00 63.27 36 A 1 ATOM 302 N N . ARG A 1 37 ? 11.709 -0.074 -6.106 1.00 74.55 37 A 1 ATOM 303 C CA . ARG A 1 37 ? 12.145 -0.975 -7.183 1.00 73.88 37 A 1 ATOM 304 C C . ARG A 1 37 ? 12.699 -0.200 -8.383 1.00 74.04 37 A 1 ATOM 305 O O . ARG A 1 37 ? 13.732 -0.601 -8.922 1.00 71.95 37 A 1 ATOM 306 C CB . ARG A 1 37 ? 10.982 -1.909 -7.567 1.00 73.51 37 A 1 ATOM 307 C CG . ARG A 1 37 ? 11.423 -2.959 -8.598 1.00 65.67 37 A 1 ATOM 308 C CD . ARG A 1 37 ? 10.268 -3.874 -9.007 1.00 64.08 37 A 1 ATOM 309 N NE . ARG A 1 37 ? 9.962 -4.894 -7.986 1.00 58.81 37 A 1 ATOM 310 C CZ . ARG A 1 37 ? 9.051 -5.855 -8.102 1.00 53.59 37 A 1 ATOM 311 N NH1 . ARG A 1 37 ? 8.264 -5.946 -9.142 1.00 51.58 37 A 1 ATOM 312 N NH2 . ARG A 1 37 ? 8.920 -6.756 -7.169 1.00 48.17 37 A 1 ATOM 313 N N . ALA A 1 38 ? 12.055 0.900 -8.779 1.00 71.21 38 A 1 ATOM 314 C CA . ALA A 1 38 ? 12.515 1.775 -9.854 1.00 70.61 38 A 1 ATOM 315 C C . ALA A 1 38 ? 13.864 2.417 -9.504 1.00 69.56 38 A 1 ATOM 316 O O . ALA A 1 38 ? 14.799 2.352 -10.299 1.00 68.68 38 A 1 ATOM 317 C CB . ALA A 1 38 ? 11.433 2.828 -10.130 1.00 69.99 38 A 1 ATOM 318 N N . LYS A 1 39 ? 14.008 2.918 -8.276 1.00 70.89 39 A 1 ATOM 319 C CA . LYS A 1 39 ? 15.249 3.526 -7.785 1.00 70.85 39 A 1 ATOM 320 C C . LYS A 1 39 ? 16.402 2.520 -7.728 1.00 70.23 39 A 1 ATOM 321 O O . LYS A 1 39 ? 17.511 2.842 -8.132 1.00 69.19 39 A 1 ATOM 322 C CB . LYS A 1 39 ? 14.962 4.196 -6.433 1.00 70.57 39 A 1 ATOM 323 C CG . LYS A 1 39 ? 16.035 5.237 -6.057 1.00 63.51 39 A 1 ATOM 324 C CD . LYS A 1 39 ? 15.590 6.061 -4.837 1.00 62.35 39 A 1 ATOM 325 C CE . LYS A 1 39 ? 16.572 7.210 -4.579 1.00 58.32 39 A 1 ATOM 326 N NZ . LYS A 1 39 ? 16.120 8.121 -3.498 1.00 52.21 39 A 1 ATOM 327 N N . ARG A 1 40 ? 16.138 1.271 -7.314 1.00 72.07 40 A 1 ATOM 328 C CA . ARG A 1 40 ? 17.145 0.193 -7.355 1.00 71.33 40 A 1 ATOM 329 C C . ARG A 1 40 ? 17.575 -0.159 -8.779 1.00 71.21 40 A 1 ATOM 330 O O . ARG A 1 40 ? 18.757 -0.375 -9.009 1.00 68.26 40 A 1 ATOM 331 C CB . ARG A 1 40 ? 16.625 -1.066 -6.644 1.00 71.43 40 A 1 ATOM 332 C CG . ARG A 1 40 ? 16.717 -0.944 -5.119 1.00 65.56 40 A 1 ATOM 333 C CD . ARG A 1 40 ? 16.233 -2.250 -4.478 1.00 65.47 40 A 1 ATOM 334 N NE . ARG A 1 40 ? 16.280 -2.181 -3.007 1.00 60.58 40 A 1 ATOM 335 C CZ . ARG A 1 40 ? 16.099 -3.187 -2.166 1.00 54.87 40 A 1 ATOM 336 N NH1 . ARG A 1 40 ? 15.844 -4.399 -2.585 1.00 52.25 40 A 1 ATOM 337 N NH2 . ARG A 1 40 ? 16.169 -2.996 -0.876 1.00 49.44 40 A 1 ATOM 338 N N . ARG A 1 41 ? 16.635 -0.203 -9.735 1.00 71.62 41 A 1 ATOM 339 C CA . ARG A 1 41 ? 16.957 -0.448 -11.148 1.00 71.58 41 A 1 ATOM 340 C C . ARG A 1 41 ? 17.766 0.695 -11.751 1.00 72.45 41 A 1 ATOM 341 O O . ARG A 1 41 ? 18.772 0.426 -12.395 1.00 67.65 41 A 1 ATOM 342 C CB . ARG A 1 41 ? 15.676 -0.680 -11.962 1.00 70.99 41 A 1 ATOM 343 C CG . ARG A 1 41 ? 15.083 -2.070 -11.709 1.00 65.65 41 A 1 ATOM 344 C CD . ARG A 1 41 ? 13.798 -2.212 -12.529 1.00 64.52 41 A 1 ATOM 345 N NE . ARG A 1 41 ? 13.206 -3.554 -12.380 1.00 59.39 41 A 1 ATOM 346 C CZ . ARG A 1 41 ? 12.078 -3.962 -12.934 1.00 54.52 41 A 1 ATOM 347 N NH1 . ARG A 1 41 ? 11.329 -3.164 -13.650 1.00 51.99 41 A 1 ATOM 348 N NH2 . ARG A 1 41 ? 11.679 -5.196 -12.785 1.00 48.59 41 A 1 ATOM 349 N N . ALA A 1 42 ? 17.362 1.947 -11.495 1.00 70.95 42 A 1 ATOM 350 C CA . ALA A 1 42 ? 18.100 3.124 -11.945 1.00 71.78 42 A 1 ATOM 351 C C . ALA A 1 42 ? 19.524 3.145 -11.366 1.00 71.32 42 A 1 ATOM 352 O O . ALA A 1 42 ? 20.480 3.341 -12.110 1.00 68.93 42 A 1 ATOM 353 C CB . ALA A 1 42 ? 17.307 4.376 -11.557 1.00 71.94 42 A 1 ATOM 354 N N . PHE A 1 43 ? 19.684 2.845 -10.078 1.00 64.43 43 A 1 ATOM 355 C CA . PHE A 1 43 ? 20.999 2.760 -9.445 1.00 64.59 43 A 1 ATOM 356 C C . PHE A 1 43 ? 21.859 1.632 -10.036 1.00 64.39 43 A 1 ATOM 357 O O . PHE A 1 43 ? 23.043 1.830 -10.285 1.00 63.13 43 A 1 ATOM 358 C CB . PHE A 1 43 ? 20.811 2.585 -7.934 1.00 66.75 43 A 1 ATOM 359 C CG . PHE A 1 43 ? 22.103 2.726 -7.162 1.00 60.91 43 A 1 ATOM 360 C CD1 . PHE A 1 43 ? 22.856 1.593 -6.806 1.00 58.54 43 A 1 ATOM 361 C CD2 . PHE A 1 43 ? 22.572 4.009 -6.816 1.00 57.95 43 A 1 ATOM 362 C CE1 . PHE A 1 43 ? 24.065 1.741 -6.105 1.00 51.43 43 A 1 ATOM 363 C CE2 . PHE A 1 43 ? 23.781 4.156 -6.119 1.00 53.77 43 A 1 ATOM 364 C CZ . PHE A 1 43 ? 24.527 3.019 -5.764 1.00 51.21 43 A 1 ATOM 365 N N . SER A 1 44 ? 21.266 0.479 -10.324 1.00 65.48 44 A 1 ATOM 366 C CA . SER A 1 44 ? 21.964 -0.630 -10.979 1.00 67.19 44 A 1 ATOM 367 C C . SER A 1 44 ? 22.422 -0.286 -12.394 1.00 65.91 44 A 1 ATOM 368 O O . SER A 1 44 ? 23.520 -0.673 -12.772 1.00 64.71 44 A 1 ATOM 369 C CB . SER A 1 44 ? 21.053 -1.850 -11.027 1.00 68.82 44 A 1 ATOM 370 O OG . SER A 1 44 ? 21.744 -2.982 -11.496 1.00 59.99 44 A 1 ATOM 371 N N . LEU A 1 45 ? 21.604 0.437 -13.168 1.00 65.63 45 A 1 ATOM 372 C CA . LEU A 1 45 ? 21.958 0.890 -14.515 1.00 64.54 45 A 1 ATOM 373 C C . LEU A 1 45 ? 23.084 1.923 -14.485 1.00 65.20 45 A 1 ATOM 374 O O . LEU A 1 45 ? 24.056 1.779 -15.219 1.00 65.00 45 A 1 ATOM 375 C CB . LEU A 1 45 ? 20.714 1.473 -15.210 1.00 65.00 45 A 1 ATOM 376 C CG . LEU A 1 45 ? 19.700 0.415 -15.666 1.00 57.67 45 A 1 ATOM 377 C CD1 . LEU A 1 45 ? 18.390 1.091 -16.073 1.00 55.25 45 A 1 ATOM 378 C CD2 . LEU A 1 45 ? 20.217 -0.384 -16.863 1.00 57.88 45 A 1 ATOM 379 N N . VAL A 1 46 ? 22.985 2.924 -13.599 1.00 66.23 46 A 1 ATOM 380 C CA . VAL A 1 46 ? 24.035 3.943 -13.427 1.00 65.72 46 A 1 ATOM 381 C C . VAL A 1 46 ? 25.356 3.292 -13.015 1.00 65.08 46 A 1 ATOM 382 O O . VAL A 1 46 ? 26.397 3.632 -13.568 1.00 64.42 46 A 1 ATOM 383 C CB . VAL A 1 46 ? 23.602 5.013 -12.404 1.00 65.78 46 A 1 ATOM 384 C CG1 . VAL A 1 46 ? 24.735 5.974 -12.025 1.00 59.27 46 A 1 ATOM 385 C CG2 . VAL A 1 46 ? 22.458 5.870 -12.969 1.00 60.84 46 A 1 ATOM 386 N N . ARG A 1 47 ? 25.320 2.326 -12.112 1.00 65.01 47 A 1 ATOM 387 C CA . ARG A 1 47 ? 26.516 1.592 -11.698 1.00 63.55 47 A 1 ATOM 388 C C . ARG A 1 47 ? 27.123 0.800 -12.856 1.00 60.57 47 A 1 ATOM 389 O O . ARG A 1 47 ? 28.320 0.900 -13.073 1.00 60.03 47 A 1 ATOM 390 C CB . ARG A 1 47 ? 26.176 0.718 -10.488 1.00 64.58 47 A 1 ATOM 391 C CG . ARG A 1 47 ? 27.458 0.153 -9.871 1.00 59.51 47 A 1 ATOM 392 C CD . ARG A 1 47 ? 27.126 -0.599 -8.586 1.00 60.44 47 A 1 ATOM 393 N NE . ARG A 1 47 ? 28.368 -1.070 -7.962 1.00 54.39 47 A 1 ATOM 394 C CZ . ARG A 1 47 ? 28.530 -1.428 -6.706 1.00 50.63 47 A 1 ATOM 395 N NH1 . ARG A 1 47 ? 27.537 -1.452 -5.862 1.00 47.86 47 A 1 ATOM 396 N NH2 . ARG A 1 47 ? 29.713 -1.777 -6.287 1.00 45.44 47 A 1 ATOM 397 N N . HIS A 1 48 ? 26.298 0.114 -13.649 1.00 69.26 48 A 1 ATOM 398 C CA . HIS A 1 48 ? 26.772 -0.608 -14.828 1.00 66.79 48 A 1 ATOM 399 C C . HIS A 1 48 ? 27.386 0.302 -15.895 1.00 65.48 48 A 1 ATOM 400 O O . HIS A 1 48 ? 28.283 -0.127 -16.607 1.00 64.04 48 A 1 ATOM 401 C CB . HIS A 1 48 ? 25.614 -1.414 -15.432 1.00 68.31 48 A 1 ATOM 402 C CG . HIS A 1 48 ? 25.888 -2.883 -15.422 1.00 63.51 48 A 1 ATOM 403 N ND1 . HIS A 1 48 ? 26.948 -3.502 -16.037 1.00 56.23 48 A 1 ATOM 404 C CD2 . HIS A 1 48 ? 25.153 -3.859 -14.802 1.00 57.58 48 A 1 ATOM 405 C CE1 . HIS A 1 48 ? 26.854 -4.818 -15.796 1.00 57.45 48 A 1 ATOM 406 N NE2 . HIS A 1 48 ? 25.770 -5.085 -15.049 1.00 60.43 48 A 1 ATOM 407 N N . THR A 1 49 ? 26.884 1.543 -16.030 1.00 68.08 49 A 1 ATOM 408 C CA . THR A 1 49 ? 27.413 2.534 -16.983 1.00 64.99 49 A 1 ATOM 409 C C . THR A 1 49 ? 28.718 3.167 -16.493 1.00 63.64 49 A 1 ATOM 410 O O . THR A 1 49 ? 29.528 3.578 -17.313 1.00 61.35 49 A 1 ATOM 411 C CB . THR A 1 49 ? 26.367 3.633 -17.257 1.00 66.27 49 A 1 ATOM 412 O OG1 . THR A 1 49 ? 25.124 3.068 -17.605 1.00 60.88 49 A 1 ATOM 413 C CG2 . THR A 1 49 ? 26.744 4.554 -18.417 1.00 60.15 49 A 1 ATOM 414 N N . LEU A 1 50 ? 28.924 3.260 -15.186 1.00 66.49 50 A 1 ATOM 415 C CA . LEU A 1 50 ? 30.146 3.817 -14.587 1.00 66.33 50 A 1 ATOM 416 C C . LEU A 1 50 ? 31.267 2.775 -14.431 1.00 65.50 50 A 1 ATOM 417 O O . LEU A 1 50 ? 32.419 3.169 -14.299 1.00 62.96 50 A 1 ATOM 418 C CB . LEU A 1 50 ? 29.796 4.442 -13.221 1.00 67.38 50 A 1 ATOM 419 C CG . LEU A 1 50 ? 29.076 5.800 -13.308 1.00 61.59 50 A 1 ATOM 420 C CD1 . LEU A 1 50 ? 28.489 6.165 -11.938 1.00 57.03 50 A 1 ATOM 421 C CD2 . LEU A 1 50 ? 30.025 6.930 -13.710 1.00 60.59 50 A 1 ATOM 422 N N . ASP A 1 51 ? 30.936 1.490 -14.446 1.00 60.31 51 A 1 ATOM 423 C CA . ASP A 1 51 ? 31.908 0.386 -14.384 1.00 60.80 51 A 1 ATOM 424 C C . ASP A 1 51 ? 32.471 -0.005 -15.780 1.00 55.41 51 A 1 ATOM 425 O O . ASP A 1 51 ? 33.228 -0.967 -15.883 1.00 54.48 51 A 1 ATOM 426 C CB . ASP A 1 51 ? 31.271 -0.819 -13.643 1.00 62.01 51 A 1 ATOM 427 C CG . ASP A 1 51 ? 31.245 -0.703 -12.101 1.00 55.59 51 A 1 ATOM 428 O OD1 . ASP A 1 51 ? 32.278 -0.316 -11.505 1.00 53.73 51 A 1 ATOM 429 O OD2 . ASP A 1 51 ? 30.220 -1.076 -11.470 1.00 53.59 51 A 1 ATOM 430 N N . ILE A 1 52 ? 32.107 0.729 -16.850 1.00 67.98 52 A 1 ATOM 431 C CA . ILE A 1 52 ? 32.640 0.616 -18.226 1.00 64.75 52 A 1 ATOM 432 C C . ILE A 1 52 ? 33.536 1.825 -18.526 1.00 57.49 52 A 1 ATOM 433 O O . ILE A 1 52 ? 34.631 1.606 -19.077 1.00 52.61 52 A 1 ATOM 434 C CB . ILE A 1 52 ? 31.491 0.509 -19.259 1.00 59.98 52 A 1 ATOM 435 C CG1 . ILE A 1 52 ? 30.597 -0.706 -18.996 1.00 53.77 52 A 1 ATOM 436 C CG2 . ILE A 1 52 ? 32.075 0.459 -20.685 1.00 53.37 52 A 1 ATOM 437 C CD1 . ILE A 1 52 ? 29.319 -0.735 -19.863 1.00 51.68 52 A 1 ATOM 438 O OXT . ILE A 1 52 ? 33.102 2.936 -18.210 1.00 53.00 52 A 1 #