# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_f7ca22ba17eb2e9 # _entry.id f7ca22ba17eb2e9 # 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](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE N[C@@H](CS)C(O)=O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=O ? "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 ILE 2 1 n PHE 3 1 n THR 4 1 n VAL 5 1 n ASN 6 1 n SER 7 1 n PHE 8 1 n PRO 9 1 n GLN 10 1 n SER 11 1 n GLY 12 1 n HIS 13 1 n GLU 14 1 n PHE 15 1 n THR 16 1 n PRO 17 1 n GLY 18 1 n LEU 19 1 n THR 20 1 n VAL 21 1 n ASN 22 1 n THR 23 1 n CYS 24 1 n GLU 25 1 n HIS 26 1 n SER 27 1 n GLY 28 1 n GLN 29 1 n VAL 30 1 n PRO 31 1 n SER 32 1 n VAL 33 1 n PRO 34 1 n PHE 35 1 n LEU 36 1 n ILE 37 1 n ILE 38 1 n SER 39 1 n SER 40 1 n LEU 41 1 n ALA 42 1 n ILE 43 1 n PHE 44 1 n ARG 45 1 n LEU 46 1 n CYS 47 1 n SER 48 1 n LEU 49 1 n ILE 50 1 n CYS 51 1 n LEU 52 1 n SER 53 1 n ASN 54 1 n PHE 55 1 n PHE 56 1 n GLU 57 1 n SER 58 1 n ASN 59 1 n LEU 60 1 n ILE 61 1 n LEU 62 1 n THR 63 1 n PRO 64 1 n ILE 65 1 n LEU 66 1 n PRO 67 1 n THR 68 1 n SER 69 1 n LEU 70 1 n HIS 71 1 n LYS 72 1 n ASN 73 1 n TYR 74 1 n SER 75 1 n THR 76 1 n VAL 77 1 n LYS 78 1 n GLY 79 1 n ARG 80 1 n THR 81 1 n GLU 82 1 n ARG 83 1 n ARG 84 1 n THR 85 1 n LYS 86 1 n CYS 87 1 n GLN 88 1 n ILE 89 1 n TYR 90 1 n LYS 91 # _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 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-04-29 07:26:19)" _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 56.17 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # _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 alphafoldserver.com/output-terms. ; 1 license ? ;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION 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 ILE . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n ASN . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n CYS . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n HIS . 26 A 26 A 27 1 n SER . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n GLN . 29 A 29 A 30 1 n VAL . 30 A 30 A 31 1 n PRO . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n PRO . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n SER . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n PHE . 44 A 44 A 45 1 n ARG . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n CYS . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n CYS . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n PHE . 55 A 55 A 56 1 n PHE . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n SER . 58 A 58 A 59 1 n ASN . 59 A 59 A 60 1 n LEU . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n THR . 63 A 63 A 64 1 n PRO . 64 A 64 A 65 1 n ILE . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n THR . 68 A 68 A 69 1 n SER . 69 A 69 A 70 1 n LEU . 70 A 70 A 71 1 n HIS . 71 A 71 A 72 1 n LYS . 72 A 72 A 73 1 n ASN . 73 A 73 A 74 1 n TYR . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n GLY . 79 A 79 A 80 1 n ARG . 80 A 80 A 81 1 n THR . 81 A 81 A 82 1 n GLU . 82 A 82 A 83 1 n ARG . 83 A 83 A 84 1 n ARG . 84 A 84 A 85 1 n THR . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n CYS . 87 A 87 A 88 1 n GLN . 88 A 88 A 89 1 n ILE . 89 A 89 A 90 1 n TYR . 90 A 90 A 91 1 n LYS . 91 A 91 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-04-29 07:26:19)" # _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 ? 29.599 0.670 12.147 1.00 32.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? 30.139 0.269 13.462 1.00 54.37 1 A 1 ATOM 3 C C . MET A 1 1 ? 29.927 -1.231 13.579 1.00 54.03 1 A 1 ATOM 4 O O . MET A 1 1 ? 28.779 -1.662 13.632 1.00 51.50 1 A 1 ATOM 5 C CB . MET A 1 1 ? 29.440 1.070 14.570 1.00 50.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? 30.116 0.981 15.940 1.00 47.71 1 A 1 ATOM 7 S SD . MET A 1 1 ? 29.365 2.166 17.092 1.00 44.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? 30.382 1.899 18.576 1.00 38.29 1 A 1 ATOM 9 N N . ILE A 1 2 ? 30.996 -2.022 13.444 1.00 39.68 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 30.921 -3.493 13.442 1.00 46.11 2 A 1 ATOM 11 C C . ILE A 1 2 ? 31.361 -3.949 14.831 1.00 44.93 2 A 1 ATOM 12 O O . ILE A 1 2 ? 32.477 -3.644 15.242 1.00 43.39 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 31.801 -4.079 12.306 1.00 46.06 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 31.292 -3.626 10.924 1.00 44.39 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 31.847 -5.622 12.388 1.00 45.51 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 32.214 -3.980 9.750 1.00 40.46 2 A 1 ATOM 17 N N . PHE A 1 3 ? 30.494 -4.626 15.559 1.00 33.98 3 A 1 ATOM 18 C CA . PHE A 1 3 ? 30.843 -5.232 16.838 1.00 40.63 3 A 1 ATOM 19 C C . PHE A 1 3 ? 31.327 -6.662 16.579 1.00 39.85 3 A 1 ATOM 20 O O . PHE A 1 3 ? 30.533 -7.549 16.290 1.00 39.03 3 A 1 ATOM 21 C CB . PHE A 1 3 ? 29.649 -5.202 17.795 1.00 41.81 3 A 1 ATOM 22 C CG . PHE A 1 3 ? 29.332 -3.816 18.331 1.00 41.73 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? 30.051 -3.304 19.438 1.00 38.16 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? 28.319 -3.032 17.752 1.00 37.79 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? 29.754 -2.035 19.948 1.00 36.52 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? 28.020 -1.755 18.261 1.00 38.52 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? 28.737 -1.259 19.364 1.00 37.30 3 A 1 ATOM 28 N N . THR A 1 4 ? 32.646 -6.879 16.689 1.00 41.93 4 A 1 ATOM 29 C CA . THR A 1 4 ? 33.241 -8.215 16.675 1.00 45.66 4 A 1 ATOM 30 C C . THR A 1 4 ? 33.288 -8.727 18.111 1.00 44.13 4 A 1 ATOM 31 O O . THR A 1 4 ? 34.081 -8.246 18.915 1.00 42.67 4 A 1 ATOM 32 C CB . THR A 1 4 ? 34.645 -8.179 16.049 1.00 44.51 4 A 1 ATOM 33 O OG1 . THR A 1 4 ? 34.619 -7.468 14.827 1.00 41.16 4 A 1 ATOM 34 C CG2 . THR A 1 4 ? 35.163 -9.574 15.736 1.00 42.15 4 A 1 ATOM 35 N N . VAL A 1 5 ? 32.453 -9.688 18.455 1.00 41.41 5 A 1 ATOM 36 C CA . VAL A 1 5 ? 32.525 -10.392 19.734 1.00 47.65 5 A 1 ATOM 37 C C . VAL A 1 5 ? 33.496 -11.562 19.566 1.00 47.37 5 A 1 ATOM 38 O O . VAL A 1 5 ? 33.157 -12.576 18.968 1.00 44.46 5 A 1 ATOM 39 C CB . VAL A 1 5 ? 31.134 -10.853 20.226 1.00 45.19 5 A 1 ATOM 40 C CG1 . VAL A 1 5 ? 31.224 -11.580 21.577 1.00 39.89 5 A 1 ATOM 41 C CG2 . VAL A 1 5 ? 30.193 -9.646 20.405 1.00 42.05 5 A 1 ATOM 42 N N . ASN A 1 6 ? 34.715 -11.404 20.055 1.00 45.08 6 A 1 ATOM 43 C CA . ASN A 1 6 ? 35.678 -12.493 20.132 1.00 49.67 6 A 1 ATOM 44 C C . ASN A 1 6 ? 35.389 -13.339 21.379 1.00 47.39 6 A 1 ATOM 45 O O . ASN A 1 6 ? 35.810 -12.997 22.480 1.00 44.97 6 A 1 ATOM 46 C CB . ASN A 1 6 ? 37.118 -11.924 20.140 1.00 48.69 6 A 1 ATOM 47 C CG . ASN A 1 6 ? 37.600 -11.506 18.761 1.00 45.34 6 A 1 ATOM 48 O OD1 . ASN A 1 6 ? 37.335 -12.145 17.766 1.00 43.05 6 A 1 ATOM 49 N ND2 . ASN A 1 6 ? 38.339 -10.426 18.669 1.00 42.51 6 A 1 ATOM 50 N N . SER A 1 7 ? 34.702 -14.448 21.208 1.00 44.99 7 A 1 ATOM 51 C CA . SER A 1 7 ? 34.610 -15.494 22.232 1.00 47.98 7 A 1 ATOM 52 C C . SER A 1 7 ? 35.798 -16.438 22.056 1.00 46.62 7 A 1 ATOM 53 O O . SER A 1 7 ? 35.821 -17.247 21.130 1.00 43.44 7 A 1 ATOM 54 C CB . SER A 1 7 ? 33.286 -16.244 22.132 1.00 45.12 7 A 1 ATOM 55 O OG . SER A 1 7 ? 32.207 -15.344 22.339 1.00 40.99 7 A 1 ATOM 56 N N . PHE A 1 8 ? 36.804 -16.338 22.927 1.00 43.80 8 A 1 ATOM 57 C CA . PHE A 1 8 ? 37.877 -17.326 23.034 1.00 48.73 8 A 1 ATOM 58 C C . PHE A 1 8 ? 37.382 -18.526 23.859 1.00 47.83 8 A 1 ATOM 59 O O . PHE A 1 8 ? 37.082 -18.337 25.037 1.00 45.29 8 A 1 ATOM 60 C CB . PHE A 1 8 ? 39.100 -16.691 23.718 1.00 46.07 8 A 1 ATOM 61 C CG . PHE A 1 8 ? 40.093 -16.044 22.775 1.00 43.70 8 A 1 ATOM 62 C CD1 . PHE A 1 8 ? 41.177 -16.798 22.288 1.00 41.40 8 A 1 ATOM 63 C CD2 . PHE A 1 8 ? 39.963 -14.699 22.405 1.00 41.22 8 A 1 ATOM 64 C CE1 . PHE A 1 8 ? 42.121 -16.214 21.436 1.00 39.48 8 A 1 ATOM 65 C CE2 . PHE A 1 8 ? 40.906 -14.105 21.548 1.00 41.17 8 A 1 ATOM 66 C CZ . PHE A 1 8 ? 41.990 -14.861 21.060 1.00 41.04 8 A 1 ATOM 67 N N . PRO A 1 9 ? 37.369 -19.755 23.330 1.00 50.20 9 A 1 ATOM 68 C CA . PRO A 1 9 ? 37.279 -20.928 24.175 1.00 53.99 9 A 1 ATOM 69 C C . PRO A 1 9 ? 38.682 -21.294 24.670 1.00 54.09 9 A 1 ATOM 70 O O . PRO A 1 9 ? 39.548 -21.737 23.921 1.00 50.47 9 A 1 ATOM 71 C CB . PRO A 1 9 ? 36.625 -21.999 23.298 1.00 50.89 9 A 1 ATOM 72 C CG . PRO A 1 9 ? 37.079 -21.628 21.884 1.00 48.74 9 A 1 ATOM 73 C CD . PRO A 1 9 ? 37.374 -20.120 21.931 1.00 52.54 9 A 1 ATOM 74 N N . GLN A 1 10 ? 38.929 -21.094 25.953 1.00 47.70 10 A 1 ATOM 75 C CA . GLN A 1 10 ? 40.060 -21.691 26.662 1.00 52.47 10 A 1 ATOM 76 C C . GLN A 1 10 ? 39.754 -23.179 26.870 1.00 50.73 10 A 1 ATOM 77 O O . GLN A 1 10 ? 38.965 -23.529 27.737 1.00 47.86 10 A 1 ATOM 78 C CB . GLN A 1 10 ? 40.267 -20.953 27.998 1.00 52.17 10 A 1 ATOM 79 C CG . GLN A 1 10 ? 41.668 -20.342 28.157 1.00 49.48 10 A 1 ATOM 80 C CD . GLN A 1 10 ? 41.834 -19.589 29.480 1.00 48.11 10 A 1 ATOM 81 O OE1 . GLN A 1 10 ? 40.911 -19.366 30.238 1.00 47.32 10 A 1 ATOM 82 N NE2 . GLN A 1 10 ? 43.034 -19.151 29.804 1.00 46.18 10 A 1 ATOM 83 N N . SER A 1 11 ? 40.384 -24.055 26.082 1.00 53.80 11 A 1 ATOM 84 C CA . SER A 1 11 ? 40.475 -25.476 26.404 1.00 57.95 11 A 1 ATOM 85 C C . SER A 1 11 ? 41.698 -26.051 25.708 1.00 57.69 11 A 1 ATOM 86 O O . SER A 1 11 ? 41.765 -26.082 24.487 1.00 53.65 11 A 1 ATOM 87 C CB . SER A 1 11 ? 39.202 -26.228 26.005 1.00 55.29 11 A 1 ATOM 88 O OG . SER A 1 11 ? 39.310 -27.573 26.392 1.00 49.56 11 A 1 ATOM 89 N N . GLY A 1 12 ? 42.697 -26.437 26.491 1.00 54.58 12 A 1 ATOM 90 C CA . GLY A 1 12 ? 43.890 -27.104 26.013 1.00 57.87 12 A 1 ATOM 91 C C . GLY A 1 12 ? 43.536 -28.486 25.495 1.00 57.43 12 A 1 ATOM 92 O O . GLY A 1 12 ? 43.220 -29.369 26.282 1.00 53.86 12 A 1 ATOM 93 N N . HIS A 1 13 ? 43.624 -28.667 24.193 1.00 49.09 13 A 1 ATOM 94 C CA . HIS A 1 13 ? 43.805 -29.971 23.567 1.00 53.31 13 A 1 ATOM 95 C C . HIS A 1 13 ? 44.611 -29.814 22.282 1.00 52.85 13 A 1 ATOM 96 O O . HIS A 1 13 ? 44.413 -28.897 21.493 1.00 52.26 13 A 1 ATOM 97 C CB . HIS A 1 13 ? 42.473 -30.709 23.360 1.00 52.11 13 A 1 ATOM 98 C CG . HIS A 1 13 ? 42.250 -31.755 24.426 1.00 47.85 13 A 1 ATOM 99 N ND1 . HIS A 1 13 ? 42.859 -32.992 24.488 1.00 44.56 13 A 1 ATOM 100 C CD2 . HIS A 1 13 ? 41.468 -31.635 25.542 1.00 43.88 13 A 1 ATOM 101 C CE1 . HIS A 1 13 ? 42.461 -33.589 25.610 1.00 42.01 13 A 1 ATOM 102 N NE2 . HIS A 1 13 ? 41.614 -32.802 26.301 1.00 43.79 13 A 1 ATOM 103 N N . GLU A 1 14 ? 45.583 -30.714 22.153 1.00 48.36 14 A 1 ATOM 104 C CA . GLU A 1 14 ? 46.548 -30.896 21.080 1.00 54.19 14 A 1 ATOM 105 C C . GLU A 1 14 ? 45.941 -30.684 19.687 1.00 53.02 14 A 1 ATOM 106 O O . GLU A 1 14 ? 44.953 -31.308 19.310 1.00 51.35 14 A 1 ATOM 107 C CB . GLU A 1 14 ? 47.070 -32.328 21.301 1.00 53.23 14 A 1 ATOM 108 C CG . GLU A 1 14 ? 48.417 -32.659 20.689 1.00 47.48 14 A 1 ATOM 109 C CD . GLU A 1 14 ? 48.965 -33.997 21.241 1.00 46.86 14 A 1 ATOM 110 O OE1 . GLU A 1 14 ? 50.018 -34.433 20.728 1.00 42.24 14 A 1 ATOM 111 O OE2 . GLU A 1 14 ? 48.344 -34.553 22.175 1.00 46.84 14 A 1 ATOM 112 N N . PHE A 1 15 ? 46.529 -29.737 18.945 1.00 48.21 15 A 1 ATOM 113 C CA . PHE A 1 15 ? 46.027 -29.316 17.645 1.00 51.16 15 A 1 ATOM 114 C C . PHE A 1 15 ? 46.418 -30.358 16.577 1.00 49.75 15 A 1 ATOM 115 O O . PHE A 1 15 ? 47.507 -30.318 16.021 1.00 47.84 15 A 1 ATOM 116 C CB . PHE A 1 15 ? 46.563 -27.906 17.337 1.00 50.10 15 A 1 ATOM 117 C CG . PHE A 1 15 ? 45.533 -26.929 16.790 1.00 47.19 15 A 1 ATOM 118 C CD1 . PHE A 1 15 ? 45.362 -26.776 15.402 1.00 44.88 15 A 1 ATOM 119 C CD2 . PHE A 1 15 ? 44.784 -26.142 17.678 1.00 45.01 15 A 1 ATOM 120 C CE1 . PHE A 1 15 ? 44.449 -25.825 14.908 1.00 41.50 15 A 1 ATOM 121 C CE2 . PHE A 1 15 ? 43.870 -25.201 17.188 1.00 42.90 15 A 1 ATOM 122 C CZ . PHE A 1 15 ? 43.693 -25.032 15.803 1.00 41.73 15 A 1 ATOM 123 N N . THR A 1 16 ? 45.549 -31.293 16.297 1.00 55.08 16 A 1 ATOM 124 C CA . THR A 1 16 ? 45.587 -32.023 15.029 1.00 57.75 16 A 1 ATOM 125 C C . THR A 1 16 ? 44.927 -31.138 13.972 1.00 55.84 16 A 1 ATOM 126 O O . THR A 1 16 ? 43.806 -30.687 14.222 1.00 53.38 16 A 1 ATOM 127 C CB . THR A 1 16 ? 44.866 -33.383 15.138 1.00 56.51 16 A 1 ATOM 128 O OG1 . THR A 1 16 ? 45.332 -34.076 16.270 1.00 52.10 16 A 1 ATOM 129 C CG2 . THR A 1 16 ? 45.127 -34.274 13.932 1.00 53.18 16 A 1 ATOM 130 N N . PRO A 1 17 ? 45.548 -30.845 12.820 1.00 53.40 17 A 1 ATOM 131 C CA . PRO A 1 17 ? 44.907 -30.058 11.770 1.00 57.36 17 A 1 ATOM 132 C C . PRO A 1 17 ? 43.838 -30.918 11.080 1.00 57.05 17 A 1 ATOM 133 O O . PRO A 1 17 ? 44.013 -31.446 9.989 1.00 53.00 17 A 1 ATOM 134 C CB . PRO A 1 17 ? 46.044 -29.590 10.856 1.00 55.69 17 A 1 ATOM 135 C CG . PRO A 1 17 ? 47.067 -30.717 10.968 1.00 53.80 17 A 1 ATOM 136 C CD . PRO A 1 17 ? 46.897 -31.208 12.417 1.00 58.98 17 A 1 ATOM 137 N N . GLY A 1 18 ? 42.750 -31.111 11.776 1.00 52.50 18 A 1 ATOM 138 C CA . GLY A 1 18 ? 41.530 -31.655 11.229 1.00 54.72 18 A 1 ATOM 139 C C . GLY A 1 18 ? 40.820 -30.555 10.459 1.00 53.04 18 A 1 ATOM 140 O O . GLY A 1 18 ? 40.531 -29.496 11.009 1.00 49.93 18 A 1 ATOM 141 N N . LEU A 1 19 ? 40.604 -30.847 9.188 1.00 47.22 19 A 1 ATOM 142 C CA . LEU A 1 19 ? 39.768 -30.053 8.298 1.00 50.59 19 A 1 ATOM 143 C C . LEU A 1 19 ? 38.505 -29.605 9.048 1.00 50.98 19 A 1 ATOM 144 O O . LEU A 1 19 ? 37.598 -30.407 9.272 1.00 48.12 19 A 1 ATOM 145 C CB . LEU A 1 19 ? 39.434 -30.968 7.104 1.00 48.21 19 A 1 ATOM 146 C CG . LEU A 1 19 ? 38.823 -30.256 5.885 1.00 43.04 19 A 1 ATOM 147 C CD1 . LEU A 1 19 ? 39.916 -29.642 5.024 1.00 40.38 19 A 1 ATOM 148 C CD2 . LEU A 1 19 ? 38.044 -31.262 5.031 1.00 42.65 19 A 1 ATOM 149 N N . THR A 1 20 ? 38.467 -28.341 9.465 1.00 45.66 20 A 1 ATOM 150 C CA . THR A 1 20 ? 37.277 -27.782 10.098 1.00 49.67 20 A 1 ATOM 151 C C . THR A 1 20 ? 36.238 -27.601 8.994 1.00 49.02 20 A 1 ATOM 152 O O . THR A 1 20 ? 36.194 -26.573 8.321 1.00 47.11 20 A 1 ATOM 153 C CB . THR A 1 20 ? 37.567 -26.460 10.840 1.00 47.47 20 A 1 ATOM 154 O OG1 . THR A 1 20 ? 38.710 -26.583 11.649 1.00 43.29 20 A 1 ATOM 155 C CG2 . THR A 1 20 ? 36.421 -26.066 11.764 1.00 42.83 20 A 1 ATOM 156 N N . VAL A 1 21 ? 35.476 -28.645 8.756 1.00 45.93 21 A 1 ATOM 157 C CA . VAL A 1 21 ? 34.252 -28.526 7.987 1.00 50.09 21 A 1 ATOM 158 C C . VAL A 1 21 ? 33.366 -27.609 8.811 1.00 49.68 21 A 1 ATOM 159 O O . VAL A 1 21 ? 32.793 -28.031 9.817 1.00 46.74 21 A 1 ATOM 160 C CB . VAL A 1 21 ? 33.594 -29.897 7.715 1.00 48.17 21 A 1 ATOM 161 C CG1 . VAL A 1 21 ? 32.302 -29.737 6.907 1.00 43.07 21 A 1 ATOM 162 C CG2 . VAL A 1 21 ? 34.533 -30.808 6.919 1.00 44.80 21 A 1 ATOM 163 N N . ASN A 1 22 ? 33.324 -26.367 8.417 1.00 48.56 22 A 1 ATOM 164 C CA . ASN A 1 22 ? 32.262 -25.489 8.865 1.00 51.23 22 A 1 ATOM 165 C C . ASN A 1 22 ? 30.958 -26.088 8.326 1.00 49.28 22 A 1 ATOM 166 O O . ASN A 1 22 ? 30.513 -25.748 7.234 1.00 46.92 22 A 1 ATOM 167 C CB . ASN A 1 22 ? 32.499 -24.049 8.360 1.00 49.55 22 A 1 ATOM 168 C CG . ASN A 1 22 ? 33.592 -23.335 9.116 1.00 46.15 22 A 1 ATOM 169 O OD1 . ASN A 1 22 ? 33.608 -23.257 10.329 1.00 43.27 22 A 1 ATOM 170 N ND2 . ASN A 1 22 ? 34.546 -22.748 8.429 1.00 44.28 22 A 1 ATOM 171 N N . THR A 1 23 ? 30.392 -27.017 9.079 1.00 47.52 23 A 1 ATOM 172 C CA . THR A 1 23 ? 28.972 -27.307 8.961 1.00 50.51 23 A 1 ATOM 173 C C . THR A 1 23 ? 28.287 -26.018 9.371 1.00 49.93 23 A 1 ATOM 174 O O . THR A 1 23 ? 28.094 -25.738 10.551 1.00 47.14 23 A 1 ATOM 175 C CB . THR A 1 23 ? 28.540 -28.495 9.832 1.00 47.23 23 A 1 ATOM 176 O OG1 . THR A 1 23 ? 29.089 -28.402 11.118 1.00 42.56 23 A 1 ATOM 177 C CG2 . THR A 1 23 ? 29.027 -29.815 9.228 1.00 44.14 23 A 1 ATOM 178 N N . CYS A 1 24 ? 28.029 -25.187 8.384 1.00 47.01 24 A 1 ATOM 179 C CA . CYS A 1 24 ? 27.041 -24.150 8.508 1.00 50.75 24 A 1 ATOM 180 C C . CYS A 1 24 ? 25.735 -24.909 8.758 1.00 50.39 24 A 1 ATOM 181 O O . CYS A 1 24 ? 25.069 -25.329 7.820 1.00 47.72 24 A 1 ATOM 182 C CB . CYS A 1 24 ? 27.046 -23.294 7.227 1.00 48.42 24 A 1 ATOM 183 S SG . CYS A 1 24 ? 26.670 -21.560 7.594 1.00 42.44 24 A 1 ATOM 184 N N . GLU A 1 25 ? 25.487 -25.213 10.035 1.00 45.22 25 A 1 ATOM 185 C CA . GLU A 1 25 ? 24.156 -25.622 10.440 1.00 48.79 25 A 1 ATOM 186 C C . GLU A 1 25 ? 23.275 -24.474 9.986 1.00 48.24 25 A 1 ATOM 187 O O . GLU A 1 25 ? 23.281 -23.377 10.554 1.00 45.43 25 A 1 ATOM 188 C CB . GLU A 1 25 ? 24.047 -25.878 11.950 1.00 46.89 25 A 1 ATOM 189 C CG . GLU A 1 25 ? 24.735 -27.184 12.358 1.00 42.22 25 A 1 ATOM 190 C CD . GLU A 1 25 ? 24.264 -27.688 13.737 1.00 40.95 25 A 1 ATOM 191 O OE1 . GLU A 1 25 ? 24.195 -28.924 13.899 1.00 38.30 25 A 1 ATOM 192 O OE2 . GLU A 1 25 ? 23.966 -26.839 14.610 1.00 41.29 25 A 1 ATOM 193 N N . HIS A 1 26 ? 22.621 -24.712 8.869 1.00 46.86 26 A 1 ATOM 194 C CA . HIS A 1 26 ? 21.509 -23.901 8.459 1.00 50.40 26 A 1 ATOM 195 C C . HIS A 1 26 ? 20.444 -24.135 9.522 1.00 50.32 26 A 1 ATOM 196 O O . HIS A 1 26 ? 19.576 -24.980 9.388 1.00 48.29 26 A 1 ATOM 197 C CB . HIS A 1 26 ? 21.078 -24.296 7.040 1.00 47.93 26 A 1 ATOM 198 C CG . HIS A 1 26 ? 20.062 -23.344 6.456 1.00 43.96 26 A 1 ATOM 199 N ND1 . HIS A 1 26 ? 20.326 -22.064 6.020 1.00 40.76 26 A 1 ATOM 200 C CD2 . HIS A 1 26 ? 18.739 -23.592 6.224 1.00 40.21 26 A 1 ATOM 201 C CE1 . HIS A 1 26 ? 19.184 -21.560 5.543 1.00 39.38 26 A 1 ATOM 202 N NE2 . HIS A 1 26 ? 18.181 -22.447 5.644 1.00 40.05 26 A 1 ATOM 203 N N . SER A 1 27 ? 20.648 -23.441 10.638 1.00 50.31 27 A 1 ATOM 204 C CA . SER A 1 27 ? 19.647 -23.295 11.668 1.00 52.17 27 A 1 ATOM 205 C C . SER A 1 27 ? 18.433 -22.804 10.917 1.00 52.45 27 A 1 ATOM 206 O O . SER A 1 27 ? 18.410 -21.668 10.436 1.00 48.47 27 A 1 ATOM 207 C CB . SER A 1 27 ? 20.127 -22.298 12.729 1.00 48.84 27 A 1 ATOM 208 O OG . SER A 1 27 ? 19.114 -22.088 13.680 1.00 43.94 27 A 1 ATOM 209 N N . GLY A 1 28 ? 17.492 -23.701 10.726 1.00 52.87 28 A 1 ATOM 210 C CA . GLY A 1 28 ? 16.165 -23.379 10.239 1.00 55.32 28 A 1 ATOM 211 C C . GLY A 1 28 ? 15.476 -22.524 11.287 1.00 55.99 28 A 1 ATOM 212 O O . GLY A 1 28 ? 14.562 -22.962 11.965 1.00 53.35 28 A 1 ATOM 213 N N . GLN A 1 29 ? 16.024 -21.326 11.487 1.00 50.96 29 A 1 ATOM 214 C CA . GLN A 1 29 ? 15.476 -20.334 12.381 1.00 52.80 29 A 1 ATOM 215 C C . GLN A 1 29 ? 14.139 -19.947 11.773 1.00 52.98 29 A 1 ATOM 216 O O . GLN A 1 29 ? 14.063 -19.166 10.827 1.00 50.02 29 A 1 ATOM 217 C CB . GLN A 1 29 ? 16.460 -19.165 12.572 1.00 50.62 29 A 1 ATOM 218 C CG . GLN A 1 29 ? 16.861 -19.014 14.043 1.00 46.68 29 A 1 ATOM 219 C CD . GLN A 1 29 ? 17.943 -17.966 14.288 1.00 44.24 29 A 1 ATOM 220 O OE1 . GLN A 1 29 ? 18.437 -17.304 13.399 1.00 43.96 29 A 1 ATOM 221 N NE2 . GLN A 1 29 ? 18.362 -17.772 15.517 1.00 41.28 29 A 1 ATOM 222 N N . VAL A 1 30 ? 13.119 -20.591 12.307 1.00 53.09 30 A 1 ATOM 223 C CA . VAL A 1 30 ? 11.745 -20.163 12.064 1.00 56.22 30 A 1 ATOM 224 C C . VAL A 1 30 ? 11.723 -18.660 12.339 1.00 56.09 30 A 1 ATOM 225 O O . VAL A 1 30 ? 12.116 -18.250 13.436 1.00 51.96 30 A 1 ATOM 226 C CB . VAL A 1 30 ? 10.761 -20.905 12.989 1.00 52.62 30 A 1 ATOM 227 C CG1 . VAL A 1 30 ? 9.316 -20.448 12.734 1.00 46.46 30 A 1 ATOM 228 C CG2 . VAL A 1 30 ? 10.824 -22.418 12.763 1.00 49.02 30 A 1 ATOM 229 N N . PRO A 1 31 ? 11.384 -17.838 11.335 1.00 56.18 31 A 1 ATOM 230 C CA . PRO A 1 31 ? 11.395 -16.400 11.518 1.00 59.01 31 A 1 ATOM 231 C C . PRO A 1 31 ? 10.536 -16.071 12.731 1.00 60.54 31 A 1 ATOM 232 O O . PRO A 1 31 ? 9.422 -16.573 12.881 1.00 56.98 31 A 1 ATOM 233 C CB . PRO A 1 31 ? 10.883 -15.795 10.205 1.00 56.49 31 A 1 ATOM 234 C CG . PRO A 1 31 ? 10.156 -16.950 9.531 1.00 53.44 31 A 1 ATOM 235 C CD . PRO A 1 31 ? 10.890 -18.191 10.021 1.00 57.09 31 A 1 ATOM 236 N N . SER A 1 32 ? 11.106 -15.279 13.632 1.00 59.76 32 A 1 ATOM 237 C CA . SER A 1 32 ? 10.413 -14.915 14.855 1.00 62.25 32 A 1 ATOM 238 C C . SER A 1 32 ? 9.065 -14.278 14.513 1.00 61.90 32 A 1 ATOM 239 O O . SER A 1 32 ? 8.927 -13.578 13.503 1.00 59.39 32 A 1 ATOM 240 C CB . SER A 1 32 ? 11.292 -14.016 15.733 1.00 59.28 32 A 1 ATOM 241 O OG . SER A 1 32 ? 11.615 -12.806 15.073 1.00 53.73 32 A 1 ATOM 242 N N . VAL A 1 33 ? 8.054 -14.519 15.354 1.00 61.75 33 A 1 ATOM 243 C CA . VAL A 1 33 ? 6.688 -13.993 15.153 1.00 66.38 33 A 1 ATOM 244 C C . VAL A 1 33 ? 6.669 -12.500 14.768 1.00 66.98 33 A 1 ATOM 245 O O . VAL A 1 33 ? 5.962 -12.155 13.821 1.00 65.74 33 A 1 ATOM 246 C CB . VAL A 1 33 ? 5.815 -14.267 16.391 1.00 64.08 33 A 1 ATOM 247 C CG1 . VAL A 1 33 ? 4.387 -13.736 16.226 1.00 58.09 33 A 1 ATOM 248 C CG2 . VAL A 1 33 ? 5.728 -15.769 16.686 1.00 60.49 33 A 1 ATOM 249 N N . PRO A 1 34 ? 7.474 -11.619 15.392 1.00 68.26 34 A 1 ATOM 250 C CA . PRO A 1 34 ? 7.544 -10.226 14.960 1.00 71.51 34 A 1 ATOM 251 C C . PRO A 1 34 ? 8.070 -10.040 13.535 1.00 72.49 34 A 1 ATOM 252 O O . PRO A 1 34 ? 7.588 -9.154 12.836 1.00 69.18 34 A 1 ATOM 253 C CB . PRO A 1 34 ? 8.433 -9.517 15.997 1.00 68.42 34 A 1 ATOM 254 C CG . PRO A 1 34 ? 9.242 -10.635 16.635 1.00 67.57 34 A 1 ATOM 255 C CD . PRO A 1 34 ? 8.256 -11.801 16.598 1.00 72.19 34 A 1 ATOM 256 N N . PHE A 1 35 ? 9.007 -10.875 13.070 1.00 60.18 35 A 1 ATOM 257 C CA . PHE A 1 35 ? 9.502 -10.798 11.691 1.00 63.48 35 A 1 ATOM 258 C C . PHE A 1 35 ? 8.413 -11.159 10.672 1.00 64.94 35 A 1 ATOM 259 O O . PHE A 1 35 ? 8.276 -10.488 9.647 1.00 66.80 35 A 1 ATOM 260 C CB . PHE A 1 35 ? 10.729 -11.707 11.548 1.00 62.54 35 A 1 ATOM 261 C CG . PHE A 1 35 ? 11.377 -11.637 10.189 1.00 60.10 35 A 1 ATOM 262 C CD1 . PHE A 1 35 ? 11.048 -12.578 9.193 1.00 57.12 35 A 1 ATOM 263 C CD2 . PHE A 1 35 ? 12.305 -10.614 9.901 1.00 56.92 35 A 1 ATOM 264 C CE1 . PHE A 1 35 ? 11.647 -12.494 7.927 1.00 50.99 35 A 1 ATOM 265 C CE2 . PHE A 1 35 ? 12.895 -10.535 8.637 1.00 53.28 35 A 1 ATOM 266 C CZ . PHE A 1 35 ? 12.569 -11.478 7.647 1.00 52.62 35 A 1 ATOM 267 N N . LEU A 1 36 ? 7.588 -12.163 10.978 1.00 67.43 36 A 1 ATOM 268 C CA . LEU A 1 36 ? 6.452 -12.545 10.133 1.00 70.11 36 A 1 ATOM 269 C C . LEU A 1 36 ? 5.394 -11.438 10.050 1.00 70.91 36 A 1 ATOM 270 O O . LEU A 1 36 ? 4.853 -11.183 8.973 1.00 75.55 36 A 1 ATOM 271 C CB . LEU A 1 36 ? 5.818 -13.837 10.664 1.00 69.96 36 A 1 ATOM 272 C CG . LEU A 1 36 ? 6.670 -15.102 10.475 1.00 65.18 36 A 1 ATOM 273 C CD1 . LEU A 1 36 ? 5.985 -16.277 11.168 1.00 59.69 36 A 1 ATOM 274 C CD2 . LEU A 1 36 ? 6.843 -15.450 8.995 1.00 62.40 36 A 1 ATOM 275 N N . ILE A 1 37 ? 5.135 -10.743 11.146 1.00 67.57 37 A 1 ATOM 276 C CA . ILE A 1 37 ? 4.171 -9.634 11.175 1.00 69.17 37 A 1 ATOM 277 C C . ILE A 1 37 ? 4.688 -8.461 10.331 1.00 67.77 37 A 1 ATOM 278 O O . ILE A 1 37 ? 3.950 -7.932 9.495 1.00 69.69 37 A 1 ATOM 279 C CB . ILE A 1 37 ? 3.864 -9.219 12.622 1.00 70.17 37 A 1 ATOM 280 C CG1 . ILE A 1 37 ? 3.133 -10.366 13.368 1.00 73.45 37 A 1 ATOM 281 C CG2 . ILE A 1 37 ? 3.002 -7.943 12.658 1.00 69.18 37 A 1 ATOM 282 C CD1 . ILE A 1 37 ? 3.052 -10.172 14.888 1.00 66.17 37 A 1 ATOM 283 N N . ILE A 1 38 ? 5.959 -8.097 10.491 1.00 69.11 38 A 1 ATOM 284 C CA . ILE A 1 38 ? 6.565 -6.992 9.748 1.00 69.00 38 A 1 ATOM 285 C C . ILE A 1 38 ? 6.610 -7.301 8.243 1.00 68.43 38 A 1 ATOM 286 O O . ILE A 1 38 ? 6.236 -6.448 7.431 1.00 68.96 38 A 1 ATOM 287 C CB . ILE A 1 38 ? 7.971 -6.666 10.307 1.00 69.75 38 A 1 ATOM 288 C CG1 . ILE A 1 38 ? 7.850 -6.099 11.745 1.00 70.68 38 A 1 ATOM 289 C CG2 . ILE A 1 38 ? 8.716 -5.657 9.408 1.00 67.30 38 A 1 ATOM 290 C CD1 . ILE A 1 38 ? 9.177 -6.097 12.518 1.00 64.04 38 A 1 ATOM 291 N N . SER A 1 39 ? 7.017 -8.505 7.865 1.00 71.92 39 A 1 ATOM 292 C CA . SER A 1 39 ? 7.053 -8.912 6.460 1.00 70.73 39 A 1 ATOM 293 C C . SER A 1 39 ? 5.657 -8.956 5.835 1.00 69.58 39 A 1 ATOM 294 O O . SER A 1 39 ? 5.470 -8.443 4.732 1.00 71.80 39 A 1 ATOM 295 C CB . SER A 1 39 ? 7.772 -10.251 6.293 1.00 69.72 39 A 1 ATOM 296 O OG . SER A 1 39 ? 7.122 -11.275 7.009 1.00 64.20 39 A 1 ATOM 297 N N . SER A 1 40 ? 4.654 -9.451 6.551 1.00 74.10 40 A 1 ATOM 298 C CA . SER A 1 40 ? 3.263 -9.460 6.089 1.00 74.45 40 A 1 ATOM 299 C C . SER A 1 40 ? 2.718 -8.053 5.874 1.00 72.62 40 A 1 ATOM 300 O O . SER A 1 40 ? 2.060 -7.781 4.868 1.00 74.77 40 A 1 ATOM 301 C CB . SER A 1 40 ? 2.365 -10.202 7.092 1.00 72.90 40 A 1 ATOM 302 O OG . SER A 1 40 ? 2.796 -11.530 7.266 1.00 69.69 40 A 1 ATOM 303 N N . LEU A 1 41 ? 3.033 -7.121 6.785 1.00 84.48 41 A 1 ATOM 304 C CA . LEU A 1 41 ? 2.634 -5.724 6.650 1.00 83.84 41 A 1 ATOM 305 C C . LEU A 1 41 ? 3.295 -5.046 5.441 1.00 84.77 41 A 1 ATOM 306 O O . LEU A 1 41 ? 2.636 -4.314 4.712 1.00 85.85 41 A 1 ATOM 307 C CB . LEU A 1 41 ? 2.966 -4.986 7.961 1.00 85.12 41 A 1 ATOM 308 C CG . LEU A 1 41 ? 2.226 -3.641 8.092 1.00 77.14 41 A 1 ATOM 309 C CD1 . LEU A 1 41 ? 0.801 -3.848 8.600 1.00 69.60 41 A 1 ATOM 310 C CD2 . LEU A 1 41 ? 2.958 -2.724 9.070 1.00 73.12 41 A 1 ATOM 311 N N . ALA A 1 42 ? 4.585 -5.321 5.213 1.00 84.41 42 A 1 ATOM 312 C CA . ALA A 1 42 ? 5.318 -4.803 4.067 1.00 85.09 42 A 1 ATOM 313 C C . ALA A 1 42 ? 4.740 -5.322 2.739 1.00 85.67 42 A 1 ATOM 314 O O . ALA A 1 42 ? 4.500 -4.538 1.821 1.00 86.00 42 A 1 ATOM 315 C CB . ALA A 1 42 ? 6.800 -5.158 4.230 1.00 84.81 42 A 1 ATOM 316 N N . ILE A 1 43 ? 4.453 -6.622 2.660 1.00 78.68 43 A 1 ATOM 317 C CA . ILE A 1 43 ? 3.822 -7.246 1.488 1.00 78.82 43 A 1 ATOM 318 C C . ILE A 1 43 ? 2.436 -6.653 1.236 1.00 77.60 43 A 1 ATOM 319 O O . ILE A 1 43 ? 2.111 -6.311 0.102 1.00 77.65 43 A 1 ATOM 320 C CB . ILE A 1 43 ? 3.766 -8.783 1.662 1.00 79.56 43 A 1 ATOM 321 C CG1 . ILE A 1 43 ? 5.202 -9.378 1.651 1.00 82.33 43 A 1 ATOM 322 C CG2 . ILE A 1 43 ? 2.921 -9.443 0.557 1.00 79.27 43 A 1 ATOM 323 C CD1 . ILE A 1 43 ? 5.273 -10.805 2.204 1.00 74.67 43 A 1 ATOM 324 N N . PHE A 1 44 ? 1.643 -6.478 2.274 1.00 79.10 44 A 1 ATOM 325 C CA . PHE A 1 44 ? 0.321 -5.862 2.151 1.00 78.53 44 A 1 ATOM 326 C C . PHE A 1 44 ? 0.394 -4.432 1.601 1.00 78.92 44 A 1 ATOM 327 O O . PHE A 1 44 ? -0.364 -4.065 0.707 1.00 80.39 44 A 1 ATOM 328 C CB . PHE A 1 44 ? -0.377 -5.882 3.522 1.00 78.92 44 A 1 ATOM 329 C CG . PHE A 1 44 ? -1.762 -5.272 3.486 1.00 78.59 44 A 1 ATOM 330 C CD1 . PHE A 1 44 ? -1.967 -3.937 3.893 1.00 71.70 44 A 1 ATOM 331 C CD2 . PHE A 1 44 ? -2.844 -6.028 2.988 1.00 72.48 44 A 1 ATOM 332 C CE1 . PHE A 1 44 ? -3.251 -3.366 3.813 1.00 67.31 44 A 1 ATOM 333 C CE2 . PHE A 1 44 ? -4.125 -5.449 2.915 1.00 68.11 44 A 1 ATOM 334 C CZ . PHE A 1 44 ? -4.326 -4.125 3.327 1.00 69.88 44 A 1 ATOM 335 N N . ARG A 1 45 ? 1.352 -3.631 2.092 1.00 84.31 45 A 1 ATOM 336 C CA . ARG A 1 45 ? 1.573 -2.269 1.588 1.00 81.51 45 A 1 ATOM 337 C C . ARG A 1 45 ? 1.997 -2.263 0.120 1.00 82.70 45 A 1 ATOM 338 O O . ARG A 1 45 ? 1.454 -1.481 -0.659 1.00 83.90 45 A 1 ATOM 339 C CB . ARG A 1 45 ? 2.629 -1.558 2.451 1.00 81.62 45 A 1 ATOM 340 C CG . ARG A 1 45 ? 2.126 -1.166 3.854 1.00 78.02 45 A 1 ATOM 341 C CD . ARG A 1 45 ? 1.076 -0.062 3.799 1.00 75.50 45 A 1 ATOM 342 N NE . ARG A 1 45 ? 0.721 0.407 5.152 1.00 69.09 45 A 1 ATOM 343 C CZ . ARG A 1 45 ? -0.106 1.390 5.445 1.00 63.60 45 A 1 ATOM 344 N NH1 . ARG A 1 45 ? -0.723 2.075 4.517 1.00 57.73 45 A 1 ATOM 345 N NH2 . ARG A 1 45 ? -0.335 1.717 6.691 1.00 60.68 45 A 1 ATOM 346 N N . LEU A 1 46 ? 2.918 -3.152 -0.249 1.00 80.67 46 A 1 ATOM 347 C CA . LEU A 1 46 ? 3.367 -3.281 -1.634 1.00 81.09 46 A 1 ATOM 348 C C . LEU A 1 46 ? 2.228 -3.704 -2.562 1.00 81.10 46 A 1 ATOM 349 O O . LEU A 1 46 ? 2.019 -3.093 -3.606 1.00 81.99 46 A 1 ATOM 350 C CB . LEU A 1 46 ? 4.539 -4.281 -1.669 1.00 82.92 46 A 1 ATOM 351 C CG . LEU A 1 46 ? 5.271 -4.310 -3.022 1.00 74.80 46 A 1 ATOM 352 C CD1 . LEU A 1 46 ? 6.088 -3.042 -3.247 1.00 67.01 46 A 1 ATOM 353 C CD2 . LEU A 1 46 ? 6.217 -5.509 -3.067 1.00 72.39 46 A 1 ATOM 354 N N . CYS A 1 47 ? 1.456 -4.696 -2.155 1.00 83.26 47 A 1 ATOM 355 C CA . CYS A 1 47 ? 0.288 -5.167 -2.905 1.00 81.25 47 A 1 ATOM 356 C C . CYS A 1 47 ? -0.755 -4.056 -3.082 1.00 80.08 47 A 1 ATOM 357 O O . CYS A 1 47 ? -1.238 -3.830 -4.189 1.00 79.94 47 A 1 ATOM 358 C CB . CYS A 1 47 ? -0.293 -6.390 -2.180 1.00 80.65 47 A 1 ATOM 359 S SG . CYS A 1 47 ? -1.569 -7.157 -3.209 1.00 75.13 47 A 1 ATOM 360 N N . SER A 1 48 ? -1.037 -3.295 -2.024 1.00 77.50 48 A 1 ATOM 361 C CA . SER A 1 48 ? -1.955 -2.158 -2.085 1.00 77.69 48 A 1 ATOM 362 C C . SER A 1 48 ? -1.487 -1.080 -3.067 1.00 76.03 48 A 1 ATOM 363 O O . SER A 1 48 ? -2.303 -0.557 -3.823 1.00 78.62 48 A 1 ATOM 364 C CB . SER A 1 48 ? -2.126 -1.559 -0.691 1.00 77.46 48 A 1 ATOM 365 O OG . SER A 1 48 ? -3.094 -0.526 -0.704 1.00 71.53 48 A 1 ATOM 366 N N . LEU A 1 49 ? -0.185 -0.780 -3.103 1.00 82.80 49 A 1 ATOM 367 C CA . LEU A 1 49 ? 0.383 0.169 -4.057 1.00 82.04 49 A 1 ATOM 368 C C . LEU A 1 49 ? 0.253 -0.330 -5.494 1.00 82.27 49 A 1 ATOM 369 O O . LEU A 1 49 ? -0.190 0.418 -6.366 1.00 82.84 49 A 1 ATOM 370 C CB . LEU A 1 49 ? 1.853 0.452 -3.707 1.00 83.88 49 A 1 ATOM 371 C CG . LEU A 1 49 ? 2.041 1.355 -2.469 1.00 75.91 49 A 1 ATOM 372 C CD1 . LEU A 1 49 ? 3.519 1.361 -2.071 1.00 69.25 49 A 1 ATOM 373 C CD2 . LEU A 1 49 ? 1.621 2.791 -2.735 1.00 73.14 49 A 1 ATOM 374 N N . ILE A 1 50 ? 0.565 -1.598 -5.740 1.00 85.81 50 A 1 ATOM 375 C CA . ILE A 1 50 ? 0.443 -2.212 -7.072 1.00 81.46 50 A 1 ATOM 376 C C . ILE A 1 50 ? -1.024 -2.205 -7.532 1.00 80.16 50 A 1 ATOM 377 O O . ILE A 1 50 ? -1.309 -1.830 -8.667 1.00 79.58 50 A 1 ATOM 378 C CB . ILE A 1 50 ? 1.026 -3.648 -7.049 1.00 84.55 50 A 1 ATOM 379 C CG1 . ILE A 1 50 ? 2.555 -3.600 -6.828 1.00 87.47 50 A 1 ATOM 380 C CG2 . ILE A 1 50 ? 0.712 -4.396 -8.365 1.00 83.45 50 A 1 ATOM 381 C CD1 . ILE A 1 50 ? 3.159 -4.955 -6.436 1.00 78.19 50 A 1 ATOM 382 N N . CYS A 1 51 ? -1.957 -2.578 -6.665 1.00 81.77 51 A 1 ATOM 383 C CA . CYS A 1 51 ? -3.385 -2.521 -6.980 1.00 81.60 51 A 1 ATOM 384 C C . CYS A 1 51 ? -3.851 -1.097 -7.288 1.00 79.44 51 A 1 ATOM 385 O O . CYS A 1 51 ? -4.601 -0.891 -8.239 1.00 79.88 51 A 1 ATOM 386 C CB . CYS A 1 51 ? -4.186 -3.105 -5.813 1.00 79.88 51 A 1 ATOM 387 S SG . CYS A 1 51 ? -4.000 -4.903 -5.758 1.00 71.10 51 A 1 ATOM 388 N N . LEU A 1 52 ? -3.377 -0.114 -6.528 1.00 79.62 52 A 1 ATOM 389 C CA . LEU A 1 52 ? -3.707 1.288 -6.757 1.00 79.13 52 A 1 ATOM 390 C C . LEU A 1 52 ? -3.142 1.791 -8.087 1.00 78.74 52 A 1 ATOM 391 O O . LEU A 1 52 ? -3.866 2.450 -8.828 1.00 80.25 52 A 1 ATOM 392 C CB . LEU A 1 52 ? -3.202 2.125 -5.568 1.00 79.54 52 A 1 ATOM 393 C CG . LEU A 1 52 ? -3.834 3.526 -5.509 1.00 74.29 52 A 1 ATOM 394 C CD1 . LEU A 1 52 ? -5.265 3.466 -4.972 1.00 67.78 52 A 1 ATOM 395 C CD2 . LEU A 1 52 ? -3.019 4.423 -4.581 1.00 69.66 52 A 1 ATOM 396 N N . SER A 1 53 ? -1.896 1.432 -8.416 1.00 80.00 53 A 1 ATOM 397 C CA . SER A 1 53 ? -1.273 1.784 -9.698 1.00 76.49 53 A 1 ATOM 398 C C . SER A 1 53 ? -2.017 1.173 -10.883 1.00 73.81 53 A 1 ATOM 399 O O . SER A 1 53 ? -2.379 1.898 -11.812 1.00 73.14 53 A 1 ATOM 400 C CB . SER A 1 53 ? 0.196 1.347 -9.727 1.00 77.79 53 A 1 ATOM 401 O OG . SER A 1 53 ? 0.930 2.042 -8.730 1.00 71.19 53 A 1 ATOM 402 N N . ASN A 1 54 ? -2.340 -0.124 -10.812 1.00 82.75 54 A 1 ATOM 403 C CA . ASN A 1 54 ? -3.108 -0.791 -11.869 1.00 79.97 54 A 1 ATOM 404 C C . ASN A 1 54 ? -4.524 -0.210 -12.015 1.00 78.33 54 A 1 ATOM 405 O O . ASN A 1 54 ? -5.034 -0.045 -13.123 1.00 77.08 54 A 1 ATOM 406 C CB . ASN A 1 54 ? -3.202 -2.299 -11.543 1.00 79.11 54 A 1 ATOM 407 C CG . ASN A 1 54 ? -1.902 -3.033 -11.787 1.00 76.72 54 A 1 ATOM 408 O OD1 . ASN A 1 54 ? -1.253 -2.888 -12.799 1.00 71.79 54 A 1 ATOM 409 N ND2 . ASN A 1 54 ? -1.485 -3.880 -10.882 1.00 70.44 54 A 1 ATOM 410 N N . PHE A 1 55 ? -5.159 0.146 -10.903 1.00 79.73 55 A 1 ATOM 411 C CA . PHE A 1 55 ? -6.448 0.833 -10.919 1.00 77.47 55 A 1 ATOM 412 C C . PHE A 1 55 ? -6.329 2.203 -11.588 1.00 77.14 55 A 1 ATOM 413 O O . PHE A 1 55 ? -7.163 2.561 -12.419 1.00 76.51 55 A 1 ATOM 414 C CB . PHE A 1 55 ? -6.984 0.949 -9.499 1.00 75.36 55 A 1 ATOM 415 C CG . PHE A 1 55 ? -8.354 1.608 -9.420 1.00 73.44 55 A 1 ATOM 416 C CD1 . PHE A 1 55 ? -8.474 2.972 -9.105 1.00 69.84 55 A 1 ATOM 417 C CD2 . PHE A 1 55 ? -9.506 0.842 -9.670 1.00 70.17 55 A 1 ATOM 418 C CE1 . PHE A 1 55 ? -9.747 3.578 -9.039 1.00 65.60 55 A 1 ATOM 419 C CE2 . PHE A 1 55 ? -10.777 1.448 -9.609 1.00 66.41 55 A 1 ATOM 420 C CZ . PHE A 1 55 ? -10.890 2.805 -9.289 1.00 67.13 55 A 1 ATOM 421 N N . PHE A 1 56 ? -5.273 2.959 -11.281 1.00 73.50 56 A 1 ATOM 422 C CA . PHE A 1 56 ? -5.052 4.273 -11.866 1.00 73.05 56 A 1 ATOM 423 C C . PHE A 1 56 ? -4.750 4.198 -13.363 1.00 72.00 56 A 1 ATOM 424 O O . PHE A 1 56 ? -5.338 4.963 -14.128 1.00 72.18 56 A 1 ATOM 425 C CB . PHE A 1 56 ? -3.939 5.006 -11.105 1.00 72.50 56 A 1 ATOM 426 C CG . PHE A 1 56 ? -4.290 6.446 -10.788 1.00 69.23 56 A 1 ATOM 427 C CD1 . PHE A 1 56 ? -3.925 7.481 -11.658 1.00 64.96 56 A 1 ATOM 428 C CD2 . PHE A 1 56 ? -5.016 6.736 -9.613 1.00 64.97 56 A 1 ATOM 429 C CE1 . PHE A 1 56 ? -4.268 8.815 -11.354 1.00 61.03 56 A 1 ATOM 430 C CE2 . PHE A 1 56 ? -5.361 8.060 -9.317 1.00 62.00 56 A 1 ATOM 431 C CZ . PHE A 1 56 ? -4.985 9.104 -10.181 1.00 63.15 56 A 1 ATOM 432 N N . GLU A 1 57 ? -3.918 3.245 -13.796 1.00 73.34 57 A 1 ATOM 433 C CA . GLU A 1 57 ? -3.663 3.016 -15.229 1.00 73.53 57 A 1 ATOM 434 C C . GLU A 1 57 ? -4.939 2.614 -15.969 1.00 70.19 57 A 1 ATOM 435 O O . GLU A 1 57 ? -5.256 3.187 -17.013 1.00 67.81 57 A 1 ATOM 436 C CB . GLU A 1 57 ? -2.594 1.937 -15.429 1.00 73.35 57 A 1 ATOM 437 C CG . GLU A 1 57 ? -1.181 2.480 -15.178 1.00 65.65 57 A 1 ATOM 438 C CD . GLU A 1 57 ? -0.087 1.546 -15.714 1.00 63.80 57 A 1 ATOM 439 O OE1 . GLU A 1 57 ? 1.018 2.064 -15.977 1.00 57.45 57 A 1 ATOM 440 O OE2 . GLU A 1 57 ? -0.365 0.335 -15.869 1.00 58.83 57 A 1 ATOM 441 N N . SER A 1 58 ? -5.717 1.692 -15.416 1.00 76.69 58 A 1 ATOM 442 C CA . SER A 1 58 ? -6.981 1.260 -16.023 1.00 73.63 58 A 1 ATOM 443 C C . SER A 1 58 ? -7.979 2.412 -16.139 1.00 71.48 58 A 1 ATOM 444 O O . SER A 1 58 ? -8.639 2.561 -17.164 1.00 68.64 58 A 1 ATOM 445 C CB . SER A 1 58 ? -7.599 0.125 -15.213 1.00 73.65 58 A 1 ATOM 446 O OG . SER A 1 58 ? -6.717 -0.974 -15.114 1.00 66.55 58 A 1 ATOM 447 N N . ASN A 1 59 ? -8.062 3.266 -15.113 1.00 74.84 59 A 1 ATOM 448 C CA . ASN A 1 59 ? -8.936 4.440 -15.151 1.00 71.40 59 A 1 ATOM 449 C C . ASN A 1 59 ? -8.412 5.538 -16.081 1.00 68.68 59 A 1 ATOM 450 O O . ASN A 1 59 ? -9.212 6.153 -16.780 1.00 67.57 59 A 1 ATOM 451 C CB . ASN A 1 59 ? -9.184 4.972 -13.735 1.00 69.95 59 A 1 ATOM 452 C CG . ASN A 1 59 ? -10.232 4.146 -13.013 1.00 65.89 59 A 1 ATOM 453 O OD1 . ASN A 1 59 ? -11.422 4.317 -13.182 1.00 62.86 59 A 1 ATOM 454 N ND2 . ASN A 1 59 ? -9.819 3.217 -12.200 1.00 61.75 59 A 1 ATOM 455 N N . LEU A 1 60 ? -7.094 5.757 -16.160 1.00 69.94 60 A 1 ATOM 456 C CA . LEU A 1 60 ? -6.501 6.714 -17.098 1.00 68.56 60 A 1 ATOM 457 C C . LEU A 1 60 ? -6.719 6.302 -18.556 1.00 66.50 60 A 1 ATOM 458 O O . LEU A 1 60 ? -6.928 7.171 -19.394 1.00 64.61 60 A 1 ATOM 459 C CB . LEU A 1 60 ? -4.995 6.869 -16.810 1.00 67.76 60 A 1 ATOM 460 C CG . LEU A 1 60 ? -4.676 7.878 -15.698 1.00 61.47 60 A 1 ATOM 461 C CD1 . LEU A 1 60 ? -3.214 7.740 -15.277 1.00 59.28 60 A 1 ATOM 462 C CD2 . LEU A 1 60 ? -4.891 9.323 -16.167 1.00 59.98 60 A 1 ATOM 463 N N . ILE A 1 61 ? -6.731 4.996 -18.854 1.00 63.99 61 A 1 ATOM 464 C CA . ILE A 1 61 ? -7.035 4.493 -20.193 1.00 63.18 61 A 1 ATOM 465 C C . ILE A 1 61 ? -8.542 4.585 -20.492 1.00 60.68 61 A 1 ATOM 466 O O . ILE A 1 61 ? -8.934 4.805 -21.627 1.00 57.93 61 A 1 ATOM 467 C CB . ILE A 1 61 ? -6.477 3.051 -20.334 1.00 61.99 61 A 1 ATOM 468 C CG1 . ILE A 1 61 ? -4.933 3.072 -20.264 1.00 57.72 61 A 1 ATOM 469 C CG2 . ILE A 1 61 ? -6.924 2.409 -21.667 1.00 57.58 61 A 1 ATOM 470 C CD1 . ILE A 1 61 ? -4.302 1.696 -20.030 1.00 53.52 61 A 1 ATOM 471 N N . LEU A 1 62 ? -9.393 4.470 -19.465 1.00 58.13 62 A 1 ATOM 472 C CA . LEU A 1 62 ? -10.847 4.547 -19.634 1.00 58.55 62 A 1 ATOM 473 C C . LEU A 1 62 ? -11.378 5.994 -19.640 1.00 58.26 62 A 1 ATOM 474 O O . LEU A 1 62 ? -12.389 6.283 -20.285 1.00 55.64 62 A 1 ATOM 475 C CB . LEU A 1 62 ? -11.510 3.696 -18.531 1.00 56.93 62 A 1 ATOM 476 C CG . LEU A 1 62 ? -12.804 3.004 -18.989 1.00 53.42 62 A 1 ATOM 477 C CD1 . LEU A 1 62 ? -12.505 1.806 -19.899 1.00 50.01 62 A 1 ATOM 478 C CD2 . LEU A 1 62 ? -13.584 2.490 -17.779 1.00 50.90 62 A 1 ATOM 479 N N . THR A 1 63 ? -10.678 6.911 -18.982 1.00 55.85 63 A 1 ATOM 480 C CA . THR A 1 63 ? -11.071 8.334 -18.874 1.00 57.15 63 A 1 ATOM 481 C C . THR A 1 63 ? -11.035 9.107 -20.198 1.00 55.58 63 A 1 ATOM 482 O O . THR A 1 63 ? -11.914 9.949 -20.377 1.00 53.64 63 A 1 ATOM 483 C CB . THR A 1 63 ? -10.251 9.061 -17.799 1.00 55.93 63 A 1 ATOM 484 O OG1 . THR A 1 63 ? -10.264 8.339 -16.591 1.00 52.36 63 A 1 ATOM 485 C CG2 . THR A 1 63 ? -10.824 10.424 -17.432 1.00 52.68 63 A 1 ATOM 486 N N . PRO A 1 64 ? -10.136 8.862 -21.176 1.00 57.00 64 A 1 ATOM 487 C CA . PRO A 1 64 ? -10.194 9.542 -22.472 1.00 57.01 64 A 1 ATOM 488 C C . PRO A 1 64 ? -11.320 9.030 -23.389 1.00 56.37 64 A 1 ATOM 489 O O . PRO A 1 64 ? -11.610 9.672 -24.392 1.00 54.03 64 A 1 ATOM 490 C CB . PRO A 1 64 ? -8.812 9.345 -23.099 1.00 55.25 64 A 1 ATOM 491 C CG . PRO A 1 64 ? -8.315 8.048 -22.484 1.00 54.20 64 A 1 ATOM 492 C CD . PRO A 1 64 ? -8.924 8.087 -21.079 1.00 57.32 64 A 1 ATOM 493 N N . ILE A 1 65 ? -11.957 7.915 -23.046 1.00 51.69 65 A 1 ATOM 494 C CA . ILE A 1 65 ? -13.090 7.366 -23.816 1.00 52.35 65 A 1 ATOM 495 C C . ILE A 1 65 ? -14.430 7.918 -23.296 1.00 50.61 65 A 1 ATOM 496 O O . ILE A 1 65 ? -15.448 7.844 -23.981 1.00 47.62 65 A 1 ATOM 497 C CB . ILE A 1 65 ? -13.027 5.822 -23.832 1.00 50.18 65 A 1 ATOM 498 C CG1 . ILE A 1 65 ? -11.668 5.347 -24.404 1.00 47.60 65 A 1 ATOM 499 C CG2 . ILE A 1 65 ? -14.177 5.212 -24.653 1.00 47.86 65 A 1 ATOM 500 C CD1 . ILE A 1 65 ? -11.422 3.830 -24.291 1.00 45.79 65 A 1 ATOM 501 N N . LEU A 1 66 ? -14.437 8.509 -22.100 1.00 47.21 66 A 1 ATOM 502 C CA . LEU A 1 66 ? -15.628 9.180 -21.597 1.00 49.44 66 A 1 ATOM 503 C C . LEU A 1 66 ? -15.790 10.520 -22.342 1.00 49.86 66 A 1 ATOM 504 O O . LEU A 1 66 ? -14.934 11.396 -22.202 1.00 46.76 66 A 1 ATOM 505 C CB . LEU A 1 66 ? -15.535 9.344 -20.067 1.00 46.43 66 A 1 ATOM 506 C CG . LEU A 1 66 ? -16.924 9.444 -19.409 1.00 42.67 66 A 1 ATOM 507 C CD1 . LEU A 1 66 ? -17.630 8.088 -19.380 1.00 39.42 66 A 1 ATOM 508 C CD2 . LEU A 1 66 ? -16.773 9.924 -17.966 1.00 40.77 66 A 1 ATOM 509 N N . PRO A 1 67 ? -16.816 10.694 -23.152 1.00 51.36 67 A 1 ATOM 510 C CA . PRO A 1 67 ? -16.936 11.892 -23.968 1.00 52.83 67 A 1 ATOM 511 C C . PRO A 1 67 ? -16.939 13.125 -23.068 1.00 52.40 67 A 1 ATOM 512 O O . PRO A 1 67 ? -17.736 13.246 -22.140 1.00 49.81 67 A 1 ATOM 513 C CB . PRO A 1 67 ? -18.226 11.719 -24.786 1.00 51.11 67 A 1 ATOM 514 C CG . PRO A 1 67 ? -19.035 10.720 -23.972 1.00 49.55 67 A 1 ATOM 515 C CD . PRO A 1 67 ? -17.971 9.845 -23.331 1.00 52.43 67 A 1 ATOM 516 N N . THR A 1 68 ? -16.072 14.066 -23.398 1.00 48.43 68 A 1 ATOM 517 C CA . THR A 1 68 ? -15.913 15.391 -22.795 1.00 51.41 68 A 1 ATOM 518 C C . THR A 1 68 ? -17.176 16.278 -22.839 1.00 51.04 68 A 1 ATOM 519 O O . THR A 1 68 ? -17.115 17.477 -22.592 1.00 47.78 68 A 1 ATOM 520 C CB . THR A 1 68 ? -14.748 16.122 -23.494 1.00 49.40 68 A 1 ATOM 521 O OG1 . THR A 1 68 ? -14.700 15.787 -24.862 1.00 46.11 68 A 1 ATOM 522 C CG2 . THR A 1 68 ? -13.396 15.731 -22.903 1.00 46.44 68 A 1 ATOM 523 N N . SER A 1 69 ? -18.326 15.708 -23.115 1.00 44.74 69 A 1 ATOM 524 C CA . SER A 1 69 ? -19.620 16.380 -23.142 1.00 48.78 69 A 1 ATOM 525 C C . SER A 1 69 ? -20.247 16.591 -21.756 1.00 49.01 69 A 1 ATOM 526 O O . SER A 1 69 ? -21.164 17.402 -21.647 1.00 47.47 69 A 1 ATOM 527 C CB . SER A 1 69 ? -20.579 15.612 -24.058 1.00 46.14 69 A 1 ATOM 528 O OG . SER A 1 69 ? -20.793 14.299 -23.581 1.00 40.76 69 A 1 ATOM 529 N N . LEU A 1 70 ? -19.748 15.941 -20.689 1.00 45.62 70 A 1 ATOM 530 C CA . LEU A 1 70 ? -20.327 16.099 -19.353 1.00 48.16 70 A 1 ATOM 531 C C . LEU A 1 70 ? -19.678 17.196 -18.480 1.00 48.48 70 A 1 ATOM 532 O O . LEU A 1 70 ? -20.192 17.507 -17.413 1.00 45.81 70 A 1 ATOM 533 C CB . LEU A 1 70 ? -20.388 14.735 -18.637 1.00 45.27 70 A 1 ATOM 534 C CG . LEU A 1 70 ? -21.682 14.573 -17.815 1.00 41.46 70 A 1 ATOM 535 C CD1 . LEU A 1 70 ? -22.809 14.019 -18.691 1.00 39.10 70 A 1 ATOM 536 C CD2 . LEU A 1 70 ? -21.469 13.611 -16.654 1.00 40.60 70 A 1 ATOM 537 N N . HIS A 1 71 ? -18.584 17.801 -18.929 1.00 45.33 71 A 1 ATOM 538 C CA . HIS A 1 71 ? -17.874 18.841 -18.159 1.00 48.10 71 A 1 ATOM 539 C C . HIS A 1 71 ? -18.325 20.284 -18.475 1.00 47.95 71 A 1 ATOM 540 O O . HIS A 1 71 ? -17.644 21.251 -18.164 1.00 46.73 71 A 1 ATOM 541 C CB . HIS A 1 71 ? -16.359 18.631 -18.270 1.00 46.43 71 A 1 ATOM 542 C CG . HIS A 1 71 ? -15.592 19.387 -17.208 1.00 40.84 71 A 1 ATOM 543 N ND1 . HIS A 1 71 ? -15.007 20.624 -17.356 1.00 38.25 71 A 1 ATOM 544 C CD2 . HIS A 1 71 ? -15.408 19.015 -15.902 1.00 37.67 71 A 1 ATOM 545 C CE1 . HIS A 1 71 ? -14.483 20.985 -16.176 1.00 36.26 71 A 1 ATOM 546 N NE2 . HIS A 1 71 ? -14.711 20.030 -15.252 1.00 36.73 71 A 1 ATOM 547 N N . LYS A 1 72 ? -19.468 20.463 -19.095 1.00 45.15 72 A 1 ATOM 548 C CA . LYS A 1 72 ? -19.925 21.800 -19.490 1.00 49.14 72 A 1 ATOM 549 C C . LYS A 1 72 ? -21.322 22.129 -18.951 1.00 48.91 72 A 1 ATOM 550 O O . LYS A 1 72 ? -22.176 22.540 -19.715 1.00 46.41 72 A 1 ATOM 551 C CB . LYS A 1 72 ? -19.742 21.985 -21.007 1.00 47.73 72 A 1 ATOM 552 C CG . LYS A 1 72 ? -19.166 23.374 -21.333 1.00 43.24 72 A 1 ATOM 553 C CD . LYS A 1 72 ? -19.024 23.565 -22.851 1.00 42.15 72 A 1 ATOM 554 C CE . LYS A 1 72 ? -18.234 24.832 -23.163 1.00 38.71 72 A 1 ATOM 555 N NZ . LYS A 1 72 ? -18.095 25.052 -24.636 1.00 36.36 72 A 1 ATOM 556 N N . ASN A 1 73 ? -21.530 21.963 -17.644 1.00 44.94 73 A 1 ATOM 557 C CA . ASN A 1 73 ? -22.775 22.458 -17.025 1.00 48.15 73 A 1 ATOM 558 C C . ASN A 1 73 ? -22.694 22.712 -15.502 1.00 47.87 73 A 1 ATOM 559 O O . ASN A 1 73 ? -23.707 22.640 -14.811 1.00 45.34 73 A 1 ATOM 560 C CB . ASN A 1 73 ? -23.978 21.582 -17.436 1.00 46.08 73 A 1 ATOM 561 C CG . ASN A 1 73 ? -24.808 22.238 -18.536 1.00 40.79 73 A 1 ATOM 562 O OD1 . ASN A 1 73 ? -25.130 23.415 -18.470 1.00 39.90 73 A 1 ATOM 563 N ND2 . ASN A 1 73 ? -25.177 21.523 -19.557 1.00 38.52 73 A 1 ATOM 564 N N . TYR A 1 74 ? -21.520 23.059 -14.961 1.00 41.30 74 A 1 ATOM 565 C CA . TYR A 1 74 ? -21.418 23.407 -13.533 1.00 44.52 74 A 1 ATOM 566 C C . TYR A 1 74 ? -21.050 24.867 -13.248 1.00 44.01 74 A 1 ATOM 567 O O . TYR A 1 74 ? -20.751 25.213 -12.108 1.00 42.64 74 A 1 ATOM 568 C CB . TYR A 1 74 ? -20.529 22.394 -12.801 1.00 44.12 74 A 1 ATOM 569 C CG . TYR A 1 74 ? -21.312 21.187 -12.342 1.00 39.86 74 A 1 ATOM 570 C CD1 . TYR A 1 74 ? -22.124 21.271 -11.177 1.00 37.26 74 A 1 ATOM 571 C CD2 . TYR A 1 74 ? -21.274 19.982 -13.070 1.00 36.32 74 A 1 ATOM 572 C CE1 . TYR A 1 74 ? -22.872 20.163 -10.750 1.00 33.83 74 A 1 ATOM 573 C CE2 . TYR A 1 74 ? -22.023 18.863 -12.646 1.00 36.16 74 A 1 ATOM 574 C CZ . TYR A 1 74 ? -22.822 18.959 -11.484 1.00 35.02 74 A 1 ATOM 575 O OH . TYR A 1 74 ? -23.546 17.882 -11.070 1.00 35.51 74 A 1 ATOM 576 N N . SER A 1 75 ? -21.126 25.770 -14.227 1.00 43.27 75 A 1 ATOM 577 C CA . SER A 1 75 ? -20.759 27.185 -14.007 1.00 47.67 75 A 1 ATOM 578 C C . SER A 1 75 ? -21.922 28.182 -13.981 1.00 46.85 75 A 1 ATOM 579 O O . SER A 1 75 ? -21.672 29.377 -13.873 1.00 45.12 75 A 1 ATOM 580 C CB . SER A 1 75 ? -19.661 27.620 -14.981 1.00 45.98 75 A 1 ATOM 581 O OG . SER A 1 75 ? -20.132 27.549 -16.310 1.00 40.71 75 A 1 ATOM 582 N N . THR A 1 76 ? -23.181 27.742 -14.020 1.00 43.41 76 A 1 ATOM 583 C CA . THR A 1 76 ? -24.290 28.719 -14.084 1.00 47.92 76 A 1 ATOM 584 C C . THR A 1 76 ? -25.551 28.271 -13.337 1.00 47.76 76 A 1 ATOM 585 O O . THR A 1 76 ? -26.636 28.297 -13.892 1.00 46.30 76 A 1 ATOM 586 C CB . THR A 1 76 ? -24.622 29.163 -15.520 1.00 46.47 76 A 1 ATOM 587 O OG1 . THR A 1 76 ? -23.486 29.181 -16.340 1.00 41.52 76 A 1 ATOM 588 C CG2 . THR A 1 76 ? -25.178 30.590 -15.544 1.00 42.14 76 A 1 ATOM 589 N N . VAL A 1 77 ? -25.432 27.910 -12.064 1.00 47.99 77 A 1 ATOM 590 C CA . VAL A 1 77 ? -26.593 28.004 -11.142 1.00 52.36 77 A 1 ATOM 591 C C . VAL A 1 77 ? -26.131 28.486 -9.768 1.00 52.19 77 A 1 ATOM 592 O O . VAL A 1 77 ? -26.270 27.832 -8.744 1.00 49.45 77 A 1 ATOM 593 C CB . VAL A 1 77 ? -27.482 26.744 -11.065 1.00 49.72 77 A 1 ATOM 594 C CG1 . VAL A 1 77 ? -28.824 27.092 -10.385 1.00 44.25 77 A 1 ATOM 595 C CG2 . VAL A 1 77 ? -27.857 26.142 -12.419 1.00 45.46 77 A 1 ATOM 596 N N . LYS A 1 78 ? -25.559 29.680 -9.736 1.00 50.71 78 A 1 ATOM 597 C CA . LYS A 1 78 ? -25.539 30.491 -8.523 1.00 53.61 78 A 1 ATOM 598 C C . LYS A 1 78 ? -26.713 31.451 -8.628 1.00 52.47 78 A 1 ATOM 599 O O . LYS A 1 78 ? -26.582 32.547 -9.147 1.00 50.37 78 A 1 ATOM 600 C CB . LYS A 1 78 ? -24.172 31.195 -8.363 1.00 53.08 78 A 1 ATOM 601 C CG . LYS A 1 78 ? -24.044 31.904 -6.997 1.00 48.31 78 A 1 ATOM 602 C CD . LYS A 1 78 ? -22.652 32.536 -6.834 1.00 48.08 78 A 1 ATOM 603 C CE . LYS A 1 78 ? -22.502 33.177 -5.449 1.00 43.19 78 A 1 ATOM 604 N NZ . LYS A 1 78 ? -21.152 33.796 -5.269 1.00 41.06 78 A 1 ATOM 605 N N . GLY A 1 79 ? -27.851 31.018 -8.155 1.00 59.29 79 A 1 ATOM 606 C CA . GLY A 1 79 ? -29.007 31.901 -8.041 1.00 62.77 79 A 1 ATOM 607 C C . GLY A 1 79 ? -30.325 31.180 -8.278 1.00 62.97 79 A 1 ATOM 608 O O . GLY A 1 79 ? -30.625 30.769 -9.392 1.00 59.75 79 A 1 ATOM 609 N N . ARG A 1 80 ? -31.143 31.208 -7.244 1.00 49.60 80 A 1 ATOM 610 C CA . ARG A 1 80 ? -32.604 31.123 -7.314 1.00 57.12 80 A 1 ATOM 611 C C . ARG A 1 80 ? -33.216 29.725 -7.197 1.00 57.88 80 A 1 ATOM 612 O O . ARG A 1 80 ? -33.762 29.163 -8.130 1.00 56.78 80 A 1 ATOM 613 C CB . ARG A 1 80 ? -33.121 31.961 -8.487 1.00 55.25 80 A 1 ATOM 614 C CG . ARG A 1 80 ? -34.372 32.765 -8.138 1.00 50.17 80 A 1 ATOM 615 C CD . ARG A 1 80 ? -34.666 33.745 -9.275 1.00 49.46 80 A 1 ATOM 616 N NE . ARG A 1 80 ? -35.634 34.764 -8.846 1.00 44.91 80 A 1 ATOM 617 C CZ . ARG A 1 80 ? -35.689 36.029 -9.246 1.00 43.61 80 A 1 ATOM 618 N NH1 . ARG A 1 80 ? -34.872 36.507 -10.151 1.00 41.29 80 A 1 ATOM 619 N NH2 . ARG A 1 80 ? -36.579 36.827 -8.737 1.00 40.29 80 A 1 ATOM 620 N N . THR A 1 81 ? -33.248 29.282 -5.950 1.00 54.36 81 A 1 ATOM 621 C CA . THR A 1 81 ? -34.340 28.464 -5.430 1.00 59.05 81 A 1 ATOM 622 C C . THR A 1 81 ? -35.649 29.237 -5.592 1.00 60.06 81 A 1 ATOM 623 O O . THR A 1 81 ? -35.996 30.048 -4.741 1.00 58.48 81 A 1 ATOM 624 C CB . THR A 1 81 ? -34.098 28.163 -3.936 1.00 57.56 81 A 1 ATOM 625 O OG1 . THR A 1 81 ? -32.782 27.719 -3.732 1.00 51.76 81 A 1 ATOM 626 C CG2 . THR A 1 81 ? -35.034 27.088 -3.377 1.00 52.86 81 A 1 ATOM 627 N N . GLU A 1 82 ? -36.376 29.027 -6.692 1.00 50.18 82 A 1 ATOM 628 C CA . GLU A 1 82 ? -37.765 29.469 -6.808 1.00 55.80 82 A 1 ATOM 629 C C . GLU A 1 82 ? -38.595 28.293 -7.336 1.00 55.63 82 A 1 ATOM 630 O O . GLU A 1 82 ? -38.589 27.963 -8.519 1.00 54.46 82 A 1 ATOM 631 C CB . GLU A 1 82 ? -37.885 30.765 -7.635 1.00 55.17 82 A 1 ATOM 632 C CG . GLU A 1 82 ? -39.109 31.589 -7.188 1.00 49.17 82 A 1 ATOM 633 C CD . GLU A 1 82 ? -39.275 32.933 -7.929 1.00 46.92 82 A 1 ATOM 634 O OE1 . GLU A 1 82 ? -40.406 33.459 -7.897 1.00 43.54 82 A 1 ATOM 635 O OE2 . GLU A 1 82 ? -38.307 33.436 -8.544 1.00 45.77 82 A 1 ATOM 636 N N . ARG A 1 83 ? -39.272 27.624 -6.415 1.00 50.81 83 A 1 ATOM 637 C CA . ARG A 1 83 ? -40.320 26.656 -6.750 1.00 57.14 83 A 1 ATOM 638 C C . ARG A 1 83 ? -41.412 27.392 -7.523 1.00 57.17 83 A 1 ATOM 639 O O . ARG A 1 83 ? -42.245 28.059 -6.916 1.00 57.30 83 A 1 ATOM 640 C CB . ARG A 1 83 ? -40.929 26.033 -5.481 1.00 57.57 83 A 1 ATOM 641 C CG . ARG A 1 83 ? -40.075 24.955 -4.795 1.00 53.70 83 A 1 ATOM 642 C CD . ARG A 1 83 ? -40.871 24.387 -3.613 1.00 53.95 83 A 1 ATOM 643 N NE . ARG A 1 83 ? -40.110 23.378 -2.844 1.00 49.09 83 A 1 ATOM 644 C CZ . ARG A 1 83 ? -40.520 22.733 -1.763 1.00 47.99 83 A 1 ATOM 645 N NH1 . ARG A 1 83 ? -41.709 22.935 -1.254 1.00 44.87 83 A 1 ATOM 646 N NH2 . ARG A 1 83 ? -39.745 21.877 -1.167 1.00 43.74 83 A 1 ATOM 647 N N . ARG A 1 84 ? -41.453 27.229 -8.843 1.00 50.12 84 A 1 ATOM 648 C CA . ARG A 1 84 ? -42.669 27.480 -9.626 1.00 56.74 84 A 1 ATOM 649 C C . ARG A 1 84 ? -43.229 26.168 -10.127 1.00 56.61 84 A 1 ATOM 650 O O . ARG A 1 84 ? -42.854 25.658 -11.179 1.00 55.99 84 A 1 ATOM 651 C CB . ARG A 1 84 ? -42.455 28.509 -10.747 1.00 56.03 84 A 1 ATOM 652 C CG . ARG A 1 84 ? -42.699 29.929 -10.231 1.00 51.90 84 A 1 ATOM 653 C CD . ARG A 1 84 ? -42.747 30.928 -11.388 1.00 51.59 84 A 1 ATOM 654 N NE . ARG A 1 84 ? -42.977 32.302 -10.911 1.00 47.05 84 A 1 ATOM 655 C CZ . ARG A 1 84 ? -43.206 33.371 -11.650 1.00 45.32 84 A 1 ATOM 656 N NH1 . ARG A 1 84 ? -43.278 33.300 -12.956 1.00 42.93 84 A 1 ATOM 657 N NH2 . ARG A 1 84 ? -43.368 34.538 -11.092 1.00 41.04 84 A 1 ATOM 658 N N . THR A 1 85 ? -44.154 25.645 -9.352 1.00 52.68 85 A 1 ATOM 659 C CA . THR A 1 85 ? -45.121 24.640 -9.787 1.00 54.89 85 A 1 ATOM 660 C C . THR A 1 85 ? -45.962 25.266 -10.899 1.00 54.66 85 A 1 ATOM 661 O O . THR A 1 85 ? -46.931 25.966 -10.625 1.00 51.92 85 A 1 ATOM 662 C CB . THR A 1 85 ? -45.996 24.205 -8.600 1.00 54.17 85 A 1 ATOM 663 O OG1 . THR A 1 85 ? -45.214 24.087 -7.432 1.00 49.76 85 A 1 ATOM 664 C CG2 . THR A 1 85 ? -46.651 22.852 -8.835 1.00 50.00 85 A 1 ATOM 665 N N . LYS A 1 86 ? -45.587 25.076 -12.166 1.00 47.97 86 A 1 ATOM 666 C CA . LYS A 1 86 ? -46.447 25.417 -13.297 1.00 53.05 86 A 1 ATOM 667 C C . LYS A 1 86 ? -47.385 24.243 -13.563 1.00 51.44 86 A 1 ATOM 668 O O . LYS A 1 86 ? -47.000 23.251 -14.172 1.00 50.32 86 A 1 ATOM 669 C CB . LYS A 1 86 ? -45.631 25.847 -14.535 1.00 53.68 86 A 1 ATOM 670 C CG . LYS A 1 86 ? -45.801 27.349 -14.817 1.00 48.98 86 A 1 ATOM 671 C CD . LYS A 1 86 ? -45.066 27.761 -16.096 1.00 49.00 86 A 1 ATOM 672 C CE . LYS A 1 86 ? -45.280 29.244 -16.395 1.00 43.19 86 A 1 ATOM 673 N NZ . LYS A 1 86 ? -44.637 29.648 -17.677 1.00 40.26 86 A 1 ATOM 674 N N . CYS A 1 87 ? -48.579 24.381 -13.050 1.00 54.32 87 A 1 ATOM 675 C CA . CYS A 1 87 ? -49.721 23.567 -13.438 1.00 56.23 87 A 1 ATOM 676 C C . CYS A 1 87 ? -49.959 23.784 -14.942 1.00 55.20 87 A 1 ATOM 677 O O . CYS A 1 87 ? -50.301 24.886 -15.355 1.00 51.38 87 A 1 ATOM 678 C CB . CYS A 1 87 ? -50.914 24.012 -12.561 1.00 55.51 87 A 1 ATOM 679 S SG . CYS A 1 87 ? -52.032 22.638 -12.249 1.00 49.77 87 A 1 ATOM 680 N N . GLN A 1 88 ? -49.698 22.764 -15.764 1.00 45.74 88 A 1 ATOM 681 C CA . GLN A 1 88 ? -50.080 22.774 -17.165 1.00 53.36 88 A 1 ATOM 682 C C . GLN A 1 88 ? -51.550 22.367 -17.249 1.00 51.42 88 A 1 ATOM 683 O O . GLN A 1 88 ? -51.894 21.202 -17.087 1.00 52.50 88 A 1 ATOM 684 C CB . GLN A 1 88 ? -49.177 21.835 -17.985 1.00 53.83 88 A 1 ATOM 685 C CG . GLN A 1 88 ? -47.748 22.368 -18.202 1.00 49.88 88 A 1 ATOM 686 C CD . GLN A 1 88 ? -47.625 23.422 -19.304 1.00 46.81 88 A 1 ATOM 687 O OE1 . GLN A 1 88 ? -48.570 23.956 -19.846 1.00 43.45 88 A 1 ATOM 688 N NE2 . GLN A 1 88 ? -46.414 23.780 -19.687 1.00 42.61 88 A 1 ATOM 689 N N . ILE A 1 89 ? -52.422 23.342 -17.436 1.00 50.57 89 A 1 ATOM 690 C CA . ILE A 1 89 ? -53.829 23.117 -17.777 1.00 56.82 89 A 1 ATOM 691 C C . ILE A 1 89 ? -53.854 22.770 -19.264 1.00 56.00 89 A 1 ATOM 692 O O . ILE A 1 89 ? -53.551 23.611 -20.102 1.00 53.50 89 A 1 ATOM 693 C CB . ILE A 1 89 ? -54.678 24.358 -17.426 1.00 55.97 89 A 1 ATOM 694 C CG1 . ILE A 1 89 ? -54.647 24.626 -15.896 1.00 53.00 89 A 1 ATOM 695 C CG2 . ILE A 1 89 ? -56.122 24.176 -17.920 1.00 53.17 89 A 1 ATOM 696 C CD1 . ILE A 1 89 ? -55.289 25.955 -15.462 1.00 48.78 89 A 1 ATOM 697 N N . TYR A 1 90 ? -54.188 21.512 -19.574 1.00 51.02 90 A 1 ATOM 698 C CA . TYR A 1 90 ? -54.539 21.110 -20.923 1.00 55.76 90 A 1 ATOM 699 C C . TYR A 1 90 ? -55.881 21.740 -21.291 1.00 53.26 90 A 1 ATOM 700 O O . TYR A 1 90 ? -56.854 21.620 -20.540 1.00 51.39 90 A 1 ATOM 701 C CB . TYR A 1 90 ? -54.598 19.576 -21.029 1.00 55.63 90 A 1 ATOM 702 C CG . TYR A 1 90 ? -53.252 18.934 -21.284 1.00 51.63 90 A 1 ATOM 703 C CD1 . TYR A 1 90 ? -52.871 18.629 -22.611 1.00 50.31 90 A 1 ATOM 704 C CD2 . TYR A 1 90 ? -52.378 18.630 -20.229 1.00 48.10 90 A 1 ATOM 705 C CE1 . TYR A 1 90 ? -51.625 18.018 -22.869 1.00 45.45 90 A 1 ATOM 706 C CE2 . TYR A 1 90 ? -51.124 18.030 -20.480 1.00 47.15 90 A 1 ATOM 707 C CZ . TYR A 1 90 ? -50.752 17.723 -21.807 1.00 46.43 90 A 1 ATOM 708 O OH . TYR A 1 90 ? -49.551 17.132 -22.050 1.00 45.53 90 A 1 ATOM 709 N N . LYS A 1 91 ? -55.904 22.406 -22.409 1.00 53.58 91 A 1 ATOM 710 C CA . LYS A 1 91 ? -57.123 22.850 -23.088 1.00 60.68 91 A 1 ATOM 711 C C . LYS A 1 91 ? -57.077 22.390 -24.529 1.00 53.82 91 A 1 ATOM 712 O O . LYS A 1 91 ? -55.990 22.495 -25.124 1.00 50.86 91 A 1 ATOM 713 C CB . LYS A 1 91 ? -57.274 24.378 -22.958 1.00 56.98 91 A 1 ATOM 714 C CG . LYS A 1 91 ? -58.762 24.774 -22.884 1.00 50.45 91 A 1 ATOM 715 C CD . LYS A 1 91 ? -58.911 26.286 -22.794 1.00 48.05 91 A 1 ATOM 716 C CE . LYS A 1 91 ? -60.375 26.640 -22.539 1.00 45.81 91 A 1 ATOM 717 N NZ . LYS A 1 91 ? -60.585 28.107 -22.482 1.00 41.17 91 A 1 ATOM 718 O OXT . LYS A 1 91 ? -58.146 21.989 -25.003 1.00 53.36 91 A 1 #