# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_3368614db0f317cb # _entry.id 3368614db0f317cb # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN N[C@@H](Cc1c[nH]c2ccccc12)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 LYS 2 1 n THR 3 1 n LYS 4 1 n GLU 5 1 n ILE 6 1 n ASP 7 1 n VAL 8 1 n SER 9 1 n ASN 10 1 n PHE 11 1 n THR 12 1 n ALA 13 1 n GLU 14 1 n GLN 15 1 n PHE 16 1 n ASP 17 1 n ALA 18 1 n PHE 19 1 n LEU 20 1 n GLU 21 1 n TYR 22 1 n CYS 23 1 n GLN 24 1 n TYR 25 1 n ALA 26 1 n GLN 27 1 n LEU 28 1 n LYS 29 1 n VAL 30 1 n GLY 31 1 n GLU 32 1 n GLY 33 1 n VAL 34 1 n VAL 35 1 n ASP 36 1 n LYS 37 1 n ILE 38 1 n ARG 39 1 n GLU 40 1 n TRP 41 1 n MET 42 1 n GLU 43 1 n HIS 44 1 n PRO 45 1 n ILE 46 1 n SER 47 1 n VAL 48 1 n ASP 49 1 n GLY 50 1 n PRO 51 1 n ASP 52 1 n ASP 53 1 n SER 54 1 n PRO 55 1 n ARG 56 1 n CYS 57 1 n LEU 58 1 n TYR 59 1 n ILE 60 1 n ARG 61 1 n ASP 62 1 n HIS 63 1 n PRO 64 1 n GLU 65 1 n ASP 66 1 n ARG 67 1 n PHE 68 1 n ILE 69 1 n SER 70 1 n TYR 71 1 n GLY 72 1 n THR 73 1 n GLY 74 1 n LEU 75 1 n ARG 76 1 n SER 77 1 n LYS 78 1 n TRP 79 1 n GLN 80 1 n PRO 81 1 n ASP 82 1 n MET 83 1 n TYR 84 1 n ALA 85 1 n LEU 86 1 n TYR 87 1 n ARG 88 1 n PRO 89 1 n THR 90 1 n PHE 91 1 n GLN 92 1 n THR 93 1 n LYS 94 1 n CYS 95 1 n VAL 96 1 n MET 97 1 n THR 98 1 n LEU 99 1 n GLY 100 1 n GLU 101 1 n ALA 102 1 n ASP 103 1 n LYS 104 1 n TYR 105 1 n VAL 106 1 n ILE 107 1 n VAL 108 1 n GLY 109 1 n GLY 110 1 n LYS 111 1 n PRO 112 1 n LEU 113 1 n SER 114 1 n LEU 115 1 n ASP 116 1 n GLU 117 1 n LEU 118 1 n GLN 119 1 n ALA 120 1 n THR 121 1 n LEU 122 1 n ALA 123 1 n LYS 124 1 n GLN 125 1 n GLY 126 1 n VAL 127 1 n ILE 128 1 n VAL 129 1 n THR 130 1 n PHE 131 1 n GLY 132 1 n ARG 133 1 n VAL 134 # _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 07:26:49)" _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 78.28 _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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ASP . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n TYR . 22 A 22 A 23 1 n CYS . 23 A 23 A 24 1 n GLN . 24 A 24 A 25 1 n TYR . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n VAL . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n GLU . 32 A 32 A 33 1 n GLY . 33 A 33 A 34 1 n VAL . 34 A 34 A 35 1 n VAL . 35 A 35 A 36 1 n ASP . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n ARG . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n TRP . 41 A 41 A 42 1 n MET . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n HIS . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n SER . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n ASP . 49 A 49 A 50 1 n GLY . 50 A 50 A 51 1 n PRO . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n SER . 54 A 54 A 55 1 n PRO . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n CYS . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n TYR . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n ARG . 61 A 61 A 62 1 n ASP . 62 A 62 A 63 1 n HIS . 63 A 63 A 64 1 n PRO . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n ASP . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n PHE . 68 A 68 A 69 1 n ILE . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n GLY . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n GLY . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n ARG . 76 A 76 A 77 1 n SER . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n TRP . 79 A 79 A 80 1 n GLN . 80 A 80 A 81 1 n PRO . 81 A 81 A 82 1 n ASP . 82 A 82 A 83 1 n MET . 83 A 83 A 84 1 n TYR . 84 A 84 A 85 1 n ALA . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n TYR . 87 A 87 A 88 1 n ARG . 88 A 88 A 89 1 n PRO . 89 A 89 A 90 1 n THR . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n GLN . 92 A 92 A 93 1 n THR . 93 A 93 A 94 1 n LYS . 94 A 94 A 95 1 n CYS . 95 A 95 A 96 1 n VAL . 96 A 96 A 97 1 n MET . 97 A 97 A 98 1 n THR . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n GLY . 100 A 100 A 101 1 n GLU . 101 A 101 A 102 1 n ALA . 102 A 102 A 103 1 n ASP . 103 A 103 A 104 1 n LYS . 104 A 104 A 105 1 n TYR . 105 A 105 A 106 1 n VAL . 106 A 106 A 107 1 n ILE . 107 A 107 A 108 1 n VAL . 108 A 108 A 109 1 n GLY . 109 A 109 A 110 1 n GLY . 110 A 110 A 111 1 n LYS . 111 A 111 A 112 1 n PRO . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n SER . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n ASP . 116 A 116 A 117 1 n GLU . 117 A 117 A 118 1 n LEU . 118 A 118 A 119 1 n GLN . 119 A 119 A 120 1 n ALA . 120 A 120 A 121 1 n THR . 121 A 121 A 122 1 n LEU . 122 A 122 A 123 1 n ALA . 123 A 123 A 124 1 n LYS . 124 A 124 A 125 1 n GLN . 125 A 125 A 126 1 n GLY . 126 A 126 A 127 1 n VAL . 127 A 127 A 128 1 n ILE . 128 A 128 A 129 1 n VAL . 129 A 129 A 130 1 n THR . 130 A 130 A 131 1 n PHE . 131 A 131 A 132 1 n GLY . 132 A 132 A 133 1 n ARG . 133 A 133 A 134 1 n VAL . 134 A 134 # _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 07:26:49)" # _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 ? 10.027 -10.339 6.845 1.00 80.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? 9.258 -9.616 5.802 1.00 86.18 1 A 1 ATOM 3 C C . MET A 1 1 ? 9.602 -8.139 5.931 1.00 89.58 1 A 1 ATOM 4 O O . MET A 1 1 ? 9.690 -7.667 7.056 1.00 87.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? 7.767 -9.886 5.993 1.00 79.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.878 -9.384 4.853 1.00 70.45 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.211 -10.076 4.981 1.00 66.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.345 -9.165 3.686 1.00 59.35 1 A 1 ATOM 9 N N . LYS A 1 2 ? 9.872 -7.433 4.822 1.00 89.92 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 10.270 -6.017 4.854 1.00 91.42 2 A 1 ATOM 11 C C . LYS A 1 2 ? 9.050 -5.119 5.047 1.00 92.24 2 A 1 ATOM 12 O O . LYS A 1 2 ? 7.974 -5.441 4.543 1.00 91.73 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 11.037 -5.623 3.579 1.00 91.02 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 12.329 -6.424 3.385 1.00 90.35 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 13.118 -5.942 2.153 1.00 88.67 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 14.380 -6.782 1.976 1.00 86.07 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 15.280 -6.247 0.917 1.00 79.10 2 A 1 ATOM 18 N N . THR A 1 3 ? 9.229 -3.988 5.739 1.00 92.13 3 A 1 ATOM 19 C CA . THR A 1 3 ? 8.215 -2.935 5.820 1.00 92.62 3 A 1 ATOM 20 C C . THR A 1 3 ? 8.080 -2.276 4.445 1.00 92.95 3 A 1 ATOM 21 O O . THR A 1 3 ? 9.081 -1.909 3.831 1.00 92.46 3 A 1 ATOM 22 C CB . THR A 1 3 ? 8.593 -1.898 6.886 1.00 92.72 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? 8.645 -2.539 8.146 1.00 90.91 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? 7.593 -0.760 7.013 1.00 89.53 3 A 1 ATOM 25 N N . LYS A 1 4 ? 6.850 -2.143 3.939 1.00 92.06 4 A 1 ATOM 26 C CA . LYS A 1 4 ? 6.594 -1.452 2.674 1.00 91.73 4 A 1 ATOM 27 C C . LYS A 1 4 ? 6.612 0.057 2.904 1.00 92.77 4 A 1 ATOM 28 O O . LYS A 1 4 ? 5.955 0.534 3.821 1.00 93.39 4 A 1 ATOM 29 C CB . LYS A 1 4 ? 5.248 -1.885 2.075 1.00 90.60 4 A 1 ATOM 30 C CG . LYS A 1 4 ? 5.186 -3.363 1.693 1.00 87.43 4 A 1 ATOM 31 C CD . LYS A 1 4 ? 3.759 -3.710 1.227 1.00 83.87 4 A 1 ATOM 32 C CE . LYS A 1 4 ? 3.592 -5.197 0.944 1.00 77.82 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? 2.154 -5.532 0.772 1.00 70.02 4 A 1 ATOM 34 N N . GLU A 1 5 ? 7.348 0.776 2.075 1.00 92.02 5 A 1 ATOM 35 C CA . GLU A 1 5 ? 7.446 2.229 2.115 1.00 92.85 5 A 1 ATOM 36 C C . GLU A 1 5 ? 6.756 2.830 0.889 1.00 92.03 5 A 1 ATOM 37 O O . GLU A 1 5 ? 7.020 2.407 -0.230 1.00 91.64 5 A 1 ATOM 38 C CB . GLU A 1 5 ? 8.929 2.609 2.175 1.00 92.32 5 A 1 ATOM 39 C CG . GLU A 1 5 ? 9.169 4.124 2.120 1.00 91.03 5 A 1 ATOM 40 C CD . GLU A 1 5 ? 10.652 4.407 2.346 1.00 91.43 5 A 1 ATOM 41 O OE1 . GLU A 1 5 ? 10.987 4.981 3.406 1.00 84.88 5 A 1 ATOM 42 O OE2 . GLU A 1 5 ? 11.471 3.996 1.522 1.00 87.02 5 A 1 ATOM 43 N N . ILE A 1 6 ? 5.889 3.810 1.112 1.00 93.54 6 A 1 ATOM 44 C CA . ILE A 1 6 ? 5.149 4.510 0.067 1.00 92.51 6 A 1 ATOM 45 C C . ILE A 1 6 ? 5.525 5.987 0.128 1.00 91.99 6 A 1 ATOM 46 O O . ILE A 1 6 ? 5.303 6.626 1.154 1.00 91.99 6 A 1 ATOM 47 C CB . ILE A 1 6 ? 3.624 4.324 0.225 1.00 92.08 6 A 1 ATOM 48 C CG1 . ILE A 1 6 ? 3.242 2.829 0.367 1.00 89.31 6 A 1 ATOM 49 C CG2 . ILE A 1 6 ? 2.910 4.953 -0.982 1.00 88.13 6 A 1 ATOM 50 C CD1 . ILE A 1 6 ? 1.761 2.608 0.661 1.00 84.39 6 A 1 ATOM 51 N N . ASP A 1 7 ? 6.061 6.516 -0.958 1.00 92.41 7 A 1 ATOM 52 C CA . ASP A 1 7 ? 6.206 7.962 -1.137 1.00 91.25 7 A 1 ATOM 53 C C . ASP A 1 7 ? 4.843 8.561 -1.491 1.00 90.64 7 A 1 ATOM 54 O O . ASP A 1 7 ? 4.260 8.210 -2.515 1.00 89.56 7 A 1 ATOM 55 C CB . ASP A 1 7 ? 7.267 8.234 -2.207 1.00 89.65 7 A 1 ATOM 56 C CG . ASP A 1 7 ? 7.584 9.720 -2.405 1.00 88.19 7 A 1 ATOM 57 O OD1 . ASP A 1 7 ? 6.860 10.585 -1.858 1.00 83.95 7 A 1 ATOM 58 O OD2 . ASP A 1 7 ? 8.592 9.989 -3.108 1.00 82.85 7 A 1 ATOM 59 N N . VAL A 1 8 ? 4.330 9.425 -0.612 1.00 91.86 8 A 1 ATOM 60 C CA . VAL A 1 8 ? 3.027 10.077 -0.733 1.00 91.25 8 A 1 ATOM 61 C C . VAL A 1 8 ? 3.141 11.592 -0.925 1.00 90.72 8 A 1 ATOM 62 O O . VAL A 1 8 ? 2.158 12.308 -0.773 1.00 89.69 8 A 1 ATOM 63 C CB . VAL A 1 8 ? 2.094 9.721 0.441 1.00 91.66 8 A 1 ATOM 64 C CG1 . VAL A 1 8 ? 1.829 8.213 0.514 1.00 90.10 8 A 1 ATOM 65 C CG2 . VAL A 1 8 ? 2.652 10.175 1.801 1.00 89.76 8 A 1 ATOM 66 N N . SER A 1 9 ? 4.324 12.093 -1.264 1.00 90.07 9 A 1 ATOM 67 C CA . SER A 1 9 ? 4.588 13.531 -1.399 1.00 88.56 9 A 1 ATOM 68 C C . SER A 1 9 ? 3.666 14.222 -2.405 1.00 87.29 9 A 1 ATOM 69 O O . SER A 1 9 ? 3.293 15.367 -2.195 1.00 84.96 9 A 1 ATOM 70 C CB . SER A 1 9 ? 6.041 13.756 -1.824 1.00 87.84 9 A 1 ATOM 71 O OG . SER A 1 9 ? 6.903 13.141 -0.892 1.00 84.09 9 A 1 ATOM 72 N N . ASN A 1 10 ? 3.280 13.492 -3.454 1.00 87.16 10 A 1 ATOM 73 C CA . ASN A 1 10 ? 2.428 13.990 -4.535 1.00 85.46 10 A 1 ATOM 74 C C . ASN A 1 10 ? 1.016 13.364 -4.540 1.00 85.64 10 A 1 ATOM 75 O O . ASN A 1 10 ? 0.343 13.385 -5.565 1.00 83.60 10 A 1 ATOM 76 C CB . ASN A 1 10 ? 3.160 13.775 -5.869 1.00 83.28 10 A 1 ATOM 77 C CG . ASN A 1 10 ? 4.457 14.552 -5.950 1.00 77.63 10 A 1 ATOM 78 O OD1 . ASN A 1 10 ? 4.565 15.683 -5.532 1.00 71.90 10 A 1 ATOM 79 N ND2 . ASN A 1 10 ? 5.504 13.977 -6.501 1.00 69.90 10 A 1 ATOM 80 N N . PHE A 1 11 ? 0.590 12.747 -3.422 1.00 86.18 11 A 1 ATOM 81 C CA . PHE A 1 11 ? -0.744 12.155 -3.354 1.00 87.14 11 A 1 ATOM 82 C C . PHE A 1 11 ? -1.824 13.233 -3.358 1.00 86.75 11 A 1 ATOM 83 O O . PHE A 1 11 ? -1.716 14.230 -2.641 1.00 86.37 11 A 1 ATOM 84 C CB . PHE A 1 11 ? -0.891 11.251 -2.120 1.00 88.37 11 A 1 ATOM 85 C CG . PHE A 1 11 ? -0.482 9.802 -2.310 1.00 88.34 11 A 1 ATOM 86 C CD1 . PHE A 1 11 ? 0.545 9.433 -3.195 1.00 86.41 11 A 1 ATOM 87 C CD2 . PHE A 1 11 ? -1.160 8.798 -1.579 1.00 86.59 11 A 1 ATOM 88 C CE1 . PHE A 1 11 ? 0.887 8.074 -3.362 1.00 85.73 11 A 1 ATOM 89 C CE2 . PHE A 1 11 ? -0.815 7.449 -1.744 1.00 86.26 11 A 1 ATOM 90 C CZ . PHE A 1 11 ? 0.208 7.083 -2.634 1.00 87.31 11 A 1 ATOM 91 N N . THR A 1 12 ? -2.879 12.999 -4.143 1.00 85.94 12 A 1 ATOM 92 C CA . THR A 1 12 ? -4.117 13.782 -4.069 1.00 85.56 12 A 1 ATOM 93 C C . THR A 1 12 ? -4.970 13.327 -2.881 1.00 86.59 12 A 1 ATOM 94 O O . THR A 1 12 ? -4.732 12.265 -2.295 1.00 86.56 12 A 1 ATOM 95 C CB . THR A 1 12 ? -4.933 13.723 -5.366 1.00 84.20 12 A 1 ATOM 96 O OG1 . THR A 1 12 ? -5.626 12.511 -5.509 1.00 82.46 12 A 1 ATOM 97 C CG2 . THR A 1 12 ? -4.078 13.947 -6.628 1.00 80.75 12 A 1 ATOM 98 N N . ALA A 1 13 ? -5.995 14.114 -2.534 1.00 86.60 13 A 1 ATOM 99 C CA . ALA A 1 13 ? -6.956 13.746 -1.498 1.00 86.79 13 A 1 ATOM 100 C C . ALA A 1 13 ? -7.610 12.382 -1.796 1.00 87.23 13 A 1 ATOM 101 O O . ALA A 1 13 ? -7.658 11.512 -0.932 1.00 86.82 13 A 1 ATOM 102 C CB . ALA A 1 13 ? -7.998 14.868 -1.385 1.00 86.25 13 A 1 ATOM 103 N N . GLU A 1 14 ? -7.989 12.142 -3.051 1.00 82.39 14 A 1 ATOM 104 C CA . GLU A 1 14 ? -8.607 10.887 -3.476 1.00 81.66 14 A 1 ATOM 105 C C . GLU A 1 14 ? -7.652 9.690 -3.347 1.00 82.86 14 A 1 ATOM 106 O O . GLU A 1 14 ? -8.079 8.576 -3.058 1.00 82.93 14 A 1 ATOM 107 C CB . GLU A 1 14 ? -9.088 10.976 -4.932 1.00 79.93 14 A 1 ATOM 108 C CG . GLU A 1 14 ? -10.053 12.136 -5.251 1.00 72.89 14 A 1 ATOM 109 C CD . GLU A 1 14 ? -9.374 13.494 -5.458 1.00 67.97 14 A 1 ATOM 110 O OE1 . GLU A 1 14 ? -10.117 14.484 -5.608 1.00 61.90 14 A 1 ATOM 111 O OE2 . GLU A 1 14 ? -8.120 13.552 -5.468 1.00 61.50 14 A 1 ATOM 112 N N . GLN A 1 15 ? -6.348 9.903 -3.543 1.00 85.81 15 A 1 ATOM 113 C CA . GLN A 1 15 ? -5.351 8.852 -3.350 1.00 86.27 15 A 1 ATOM 114 C C . GLN A 1 15 ? -5.156 8.515 -1.866 1.00 87.14 15 A 1 ATOM 115 O O . GLN A 1 15 ? -4.946 7.349 -1.531 1.00 87.46 15 A 1 ATOM 116 C CB . GLN A 1 15 ? -4.015 9.267 -3.985 1.00 85.94 15 A 1 ATOM 117 C CG . GLN A 1 15 ? -4.085 9.263 -5.516 1.00 83.91 15 A 1 ATOM 118 C CD . GLN A 1 15 ? -2.762 9.696 -6.131 1.00 82.21 15 A 1 ATOM 119 O OE1 . GLN A 1 15 ? -2.225 10.753 -5.846 1.00 77.33 15 A 1 ATOM 120 N NE2 . GLN A 1 15 ? -2.183 8.895 -6.986 1.00 74.56 15 A 1 ATOM 121 N N . PHE A 1 16 ? -5.247 9.504 -0.985 1.00 87.78 16 A 1 ATOM 122 C CA . PHE A 1 16 ? -5.249 9.263 0.454 1.00 88.49 16 A 1 ATOM 123 C C . PHE A 1 16 ? -6.515 8.531 0.911 1.00 88.65 16 A 1 ATOM 124 O O . PHE A 1 16 ? -6.405 7.578 1.683 1.00 88.83 16 A 1 ATOM 125 C CB . PHE A 1 16 ? -5.065 10.575 1.224 1.00 88.83 16 A 1 ATOM 126 C CG . PHE A 1 16 ? -3.634 11.073 1.271 1.00 88.56 16 A 1 ATOM 127 C CD1 . PHE A 1 16 ? -2.653 10.311 1.941 1.00 86.41 16 A 1 ATOM 128 C CD2 . PHE A 1 16 ? -3.280 12.310 0.707 1.00 87.19 16 A 1 ATOM 129 C CE1 . PHE A 1 16 ? -1.331 10.796 2.048 1.00 86.24 16 A 1 ATOM 130 C CE2 . PHE A 1 16 ? -1.967 12.793 0.808 1.00 86.47 16 A 1 ATOM 131 C CZ . PHE A 1 16 ? -0.988 12.037 1.480 1.00 87.58 16 A 1 ATOM 132 N N . ASP A 1 17 ? -7.686 8.906 0.397 1.00 86.48 17 A 1 ATOM 133 C CA . ASP A 1 17 ? -8.935 8.202 0.686 1.00 85.41 17 A 1 ATOM 134 C C . ASP A 1 17 ? -8.857 6.734 0.240 1.00 85.77 17 A 1 ATOM 135 O O . ASP A 1 17 ? -9.110 5.823 1.034 1.00 85.48 17 A 1 ATOM 136 C CB . ASP A 1 17 ? -10.120 8.919 0.012 1.00 84.65 17 A 1 ATOM 137 C CG . ASP A 1 17 ? -10.476 10.259 0.665 1.00 81.77 17 A 1 ATOM 138 O OD1 . ASP A 1 17 ? -10.127 10.459 1.858 1.00 79.64 17 A 1 ATOM 139 O OD2 . ASP A 1 17 ? -11.138 11.068 -0.016 1.00 78.32 17 A 1 ATOM 140 N N . ALA A 1 18 ? -8.369 6.473 -0.979 1.00 84.82 18 A 1 ATOM 141 C CA . ALA A 1 18 ? -8.154 5.122 -1.480 1.00 83.76 18 A 1 ATOM 142 C C . ALA A 1 18 ? -7.139 4.324 -0.641 1.00 85.09 18 A 1 ATOM 143 O O . ALA A 1 18 ? -7.290 3.117 -0.447 1.00 84.60 18 A 1 ATOM 144 C CB . ALA A 1 18 ? -7.708 5.214 -2.941 1.00 82.00 18 A 1 ATOM 145 N N . PHE A 1 19 ? -6.111 4.984 -0.103 1.00 86.68 19 A 1 ATOM 146 C CA . PHE A 1 19 ? -5.172 4.356 0.824 1.00 88.00 19 A 1 ATOM 147 C C . PHE A 1 19 ? -5.843 3.969 2.142 1.00 88.02 19 A 1 ATOM 148 O O . PHE A 1 19 ? -5.590 2.867 2.660 1.00 88.17 19 A 1 ATOM 149 C CB . PHE A 1 19 ? -3.980 5.294 1.068 1.00 89.92 19 A 1 ATOM 150 C CG . PHE A 1 19 ? -3.076 4.817 2.189 1.00 91.18 19 A 1 ATOM 151 C CD1 . PHE A 1 19 ? -3.190 5.370 3.474 1.00 88.91 19 A 1 ATOM 152 C CD2 . PHE A 1 19 ? -2.157 3.777 1.960 1.00 89.57 19 A 1 ATOM 153 C CE1 . PHE A 1 19 ? -2.391 4.885 4.525 1.00 89.18 19 A 1 ATOM 154 C CE2 . PHE A 1 19 ? -1.356 3.289 3.008 1.00 89.41 19 A 1 ATOM 155 C CZ . PHE A 1 19 ? -1.481 3.844 4.290 1.00 91.10 19 A 1 ATOM 156 N N . LEU A 1 20 ? -6.704 4.814 2.701 1.00 89.58 20 A 1 ATOM 157 C CA . LEU A 1 20 ? -7.430 4.512 3.937 1.00 89.46 20 A 1 ATOM 158 C C . LEU A 1 20 ? -8.422 3.354 3.726 1.00 88.45 20 A 1 ATOM 159 O O . LEU A 1 20 ? -8.475 2.441 4.548 1.00 87.82 20 A 1 ATOM 160 C CB . LEU A 1 20 ? -8.142 5.776 4.448 1.00 90.46 20 A 1 ATOM 161 C CG . LEU A 1 20 ? -7.187 6.874 4.963 1.00 90.55 20 A 1 ATOM 162 C CD1 . LEU A 1 20 ? -7.990 8.113 5.345 1.00 89.18 20 A 1 ATOM 163 C CD2 . LEU A 1 20 ? -6.385 6.430 6.197 1.00 89.23 20 A 1 ATOM 164 N N . GLU A 1 21 ? -9.125 3.325 2.589 1.00 85.51 21 A 1 ATOM 165 C CA . GLU A 1 21 ? -9.963 2.193 2.190 1.00 83.24 21 A 1 ATOM 166 C C . GLU A 1 21 ? -9.141 0.902 2.063 1.00 83.56 21 A 1 ATOM 167 O O . GLU A 1 21 ? -9.505 -0.133 2.629 1.00 82.79 21 A 1 ATOM 168 C CB . GLU A 1 21 ? -10.666 2.483 0.857 1.00 81.19 21 A 1 ATOM 169 C CG . GLU A 1 21 ? -11.786 3.526 0.959 1.00 74.85 21 A 1 ATOM 170 C CD . GLU A 1 21 ? -12.544 3.727 -0.366 1.00 70.33 21 A 1 ATOM 171 O OE1 . GLU A 1 21 ? -13.459 4.568 -0.392 1.00 63.51 21 A 1 ATOM 172 O OE2 . GLU A 1 21 ? -12.251 2.988 -1.344 1.00 62.42 21 A 1 ATOM 173 N N . TYR A 1 22 ? -7.984 0.962 1.399 1.00 84.86 22 A 1 ATOM 174 C CA . TYR A 1 22 ? -7.054 -0.166 1.330 1.00 84.64 22 A 1 ATOM 175 C C . TYR A 1 22 ? -6.662 -0.673 2.716 1.00 85.22 22 A 1 ATOM 176 O O . TYR A 1 22 ? -6.669 -1.891 2.955 1.00 85.31 22 A 1 ATOM 177 C CB . TYR A 1 22 ? -5.805 0.224 0.533 1.00 85.12 22 A 1 ATOM 178 C CG . TYR A 1 22 ? -4.650 -0.744 0.696 1.00 84.73 22 A 1 ATOM 179 C CD1 . TYR A 1 22 ? -3.603 -0.457 1.592 1.00 82.42 22 A 1 ATOM 180 C CD2 . TYR A 1 22 ? -4.656 -1.966 -0.003 1.00 81.98 22 A 1 ATOM 181 C CE1 . TYR A 1 22 ? -2.560 -1.381 1.782 1.00 80.84 22 A 1 ATOM 182 C CE2 . TYR A 1 22 ? -3.614 -2.891 0.184 1.00 80.64 22 A 1 ATOM 183 C CZ . TYR A 1 22 ? -2.557 -2.602 1.073 1.00 82.03 22 A 1 ATOM 184 O OH . TYR A 1 22 ? -1.549 -3.496 1.250 1.00 80.38 22 A 1 ATOM 185 N N . CYS A 1 23 ? -6.345 0.226 3.657 1.00 87.26 23 A 1 ATOM 186 C CA . CYS A 1 23 ? -5.998 -0.159 5.024 1.00 88.12 23 A 1 ATOM 187 C C . CYS A 1 23 ? -7.137 -0.907 5.715 1.00 87.48 23 A 1 ATOM 188 O O . CYS A 1 23 ? -6.890 -1.909 6.388 1.00 87.26 23 A 1 ATOM 189 C CB . CYS A 1 23 ? -5.595 1.087 5.821 1.00 90.17 23 A 1 ATOM 190 S SG . CYS A 1 23 ? -4.032 1.747 5.196 1.00 90.96 23 A 1 ATOM 191 N N . GLN A 1 24 ? -8.385 -0.471 5.503 1.00 86.78 24 A 1 ATOM 192 C CA . GLN A 1 24 ? -9.569 -1.137 6.035 1.00 85.21 24 A 1 ATOM 193 C C . GLN A 1 24 ? -9.725 -2.549 5.452 1.00 84.80 24 A 1 ATOM 194 O O . GLN A 1 24 ? -9.841 -3.515 6.214 1.00 84.58 24 A 1 ATOM 195 C CB . GLN A 1 24 ? -10.794 -0.255 5.765 1.00 84.80 24 A 1 ATOM 196 C CG . GLN A 1 24 ? -12.068 -0.817 6.417 1.00 77.49 24 A 1 ATOM 197 C CD . GLN A 1 24 ? -13.293 0.061 6.179 1.00 74.02 24 A 1 ATOM 198 O OE1 . GLN A 1 24 ? -13.270 1.096 5.550 1.00 67.95 24 A 1 ATOM 199 N NE2 . GLN A 1 24 ? -14.438 -0.322 6.691 1.00 64.58 24 A 1 ATOM 200 N N . TYR A 1 25 ? -9.637 -2.702 4.124 1.00 81.59 25 A 1 ATOM 201 C CA . TYR A 1 25 ? -9.708 -4.013 3.463 1.00 79.34 25 A 1 ATOM 202 C C . TYR A 1 25 ? -8.573 -4.953 3.869 1.00 80.41 25 A 1 ATOM 203 O O . TYR A 1 25 ? -8.778 -6.146 4.094 1.00 79.09 25 A 1 ATOM 204 C CB . TYR A 1 25 ? -9.686 -3.830 1.936 1.00 76.48 25 A 1 ATOM 205 C CG . TYR A 1 25 ? -11.018 -3.433 1.353 1.00 69.55 25 A 1 ATOM 206 C CD1 . TYR A 1 25 ? -12.068 -4.367 1.321 1.00 63.72 25 A 1 ATOM 207 C CD2 . TYR A 1 25 ? -11.222 -2.134 0.836 1.00 62.17 25 A 1 ATOM 208 C CE1 . TYR A 1 25 ? -13.325 -4.003 0.796 1.00 56.93 25 A 1 ATOM 209 C CE2 . TYR A 1 25 ? -12.470 -1.773 0.310 1.00 57.07 25 A 1 ATOM 210 C CZ . TYR A 1 25 ? -13.529 -2.707 0.294 1.00 56.41 25 A 1 ATOM 211 O OH . TYR A 1 25 ? -14.739 -2.355 -0.207 1.00 55.29 25 A 1 ATOM 212 N N . ALA A 1 26 ? -7.361 -4.415 3.999 1.00 83.25 26 A 1 ATOM 213 C CA . ALA A 1 26 ? -6.199 -5.174 4.414 1.00 83.45 26 A 1 ATOM 214 C C . ALA A 1 26 ? -6.161 -5.432 5.934 1.00 85.31 26 A 1 ATOM 215 O O . ALA A 1 26 ? -5.252 -6.120 6.382 1.00 84.95 26 A 1 ATOM 216 C CB . ALA A 1 26 ? -4.938 -4.467 3.906 1.00 82.77 26 A 1 ATOM 217 N N . GLN A 1 27 ? -7.129 -4.921 6.721 1.00 86.82 27 A 1 ATOM 218 C CA . GLN A 1 27 ? -7.162 -5.023 8.187 1.00 88.06 27 A 1 ATOM 219 C C . GLN A 1 27 ? -5.879 -4.480 8.850 1.00 89.85 27 A 1 ATOM 220 O O . GLN A 1 27 ? -5.344 -5.072 9.796 1.00 89.34 27 A 1 ATOM 221 C CB . GLN A 1 27 ? -7.507 -6.452 8.634 1.00 86.92 27 A 1 ATOM 222 C CG . GLN A 1 27 ? -8.815 -6.979 8.040 1.00 81.81 27 A 1 ATOM 223 C CD . GLN A 1 27 ? -9.110 -8.415 8.488 1.00 76.20 27 A 1 ATOM 224 O OE1 . GLN A 1 27 ? -8.280 -9.129 9.036 1.00 69.33 27 A 1 ATOM 225 N NE2 . GLN A 1 27 ? -10.311 -8.898 8.253 1.00 66.11 27 A 1 ATOM 226 N N . LEU A 1 28 ? -5.362 -3.375 8.324 1.00 89.39 28 A 1 ATOM 227 C CA . LEU A 1 28 ? -4.215 -2.665 8.881 1.00 90.74 28 A 1 ATOM 228 C C . LEU A 1 28 ? -4.701 -1.656 9.924 1.00 92.22 28 A 1 ATOM 229 O O . LEU A 1 28 ? -5.640 -0.901 9.685 1.00 92.19 28 A 1 ATOM 230 C CB . LEU A 1 28 ? -3.429 -1.964 7.758 1.00 90.86 28 A 1 ATOM 231 C CG . LEU A 1 28 ? -2.814 -2.916 6.729 1.00 89.54 28 A 1 ATOM 232 C CD1 . LEU A 1 28 ? -2.335 -2.144 5.506 1.00 87.03 28 A 1 ATOM 233 C CD2 . LEU A 1 28 ? -1.612 -3.668 7.304 1.00 87.49 28 A 1 ATOM 234 N N . LYS A 1 29 ? -4.046 -1.609 11.076 1.00 92.40 29 A 1 ATOM 235 C CA . LYS A 1 29 ? -4.358 -0.636 12.123 1.00 92.89 29 A 1 ATOM 236 C C . LYS A 1 29 ? -3.858 0.747 11.704 1.00 93.72 29 A 1 ATOM 237 O O . LYS A 1 29 ? -2.657 0.945 11.526 1.00 94.39 29 A 1 ATOM 238 C CB . LYS A 1 29 ? -3.731 -1.064 13.456 1.00 92.55 29 A 1 ATOM 239 C CG . LYS A 1 29 ? -4.340 -2.363 14.001 1.00 82.88 29 A 1 ATOM 240 C CD . LYS A 1 29 ? -3.631 -2.773 15.303 1.00 78.05 29 A 1 ATOM 241 C CE . LYS A 1 29 ? -4.180 -4.107 15.815 1.00 69.19 29 A 1 ATOM 242 N NZ . LYS A 1 29 ? -3.402 -4.588 16.989 1.00 61.71 29 A 1 ATOM 243 N N . VAL A 1 30 ? -4.765 1.702 11.591 1.00 93.65 30 A 1 ATOM 244 C CA . VAL A 1 30 ? -4.452 3.109 11.341 1.00 94.07 30 A 1 ATOM 245 C C . VAL A 1 30 ? -4.767 3.882 12.618 1.00 94.27 30 A 1 ATOM 246 O O . VAL A 1 30 ? -5.916 3.959 13.034 1.00 93.37 30 A 1 ATOM 247 C CB . VAL A 1 30 ? -5.224 3.654 10.129 1.00 93.93 30 A 1 ATOM 248 C CG1 . VAL A 1 30 ? -4.729 5.057 9.773 1.00 90.79 30 A 1 ATOM 249 C CG2 . VAL A 1 30 ? -5.039 2.774 8.887 1.00 90.23 30 A 1 ATOM 250 N N . GLY A 1 31 ? -3.737 4.390 13.297 1.00 94.62 31 A 1 ATOM 251 C CA . GLY A 1 31 ? -3.928 5.197 14.500 1.00 93.60 31 A 1 ATOM 252 C C . GLY A 1 31 ? -4.411 6.608 14.166 1.00 94.45 31 A 1 ATOM 253 O O . GLY A 1 31 ? -4.110 7.122 13.086 1.00 94.37 31 A 1 ATOM 254 N N . GLU A 1 32 ? -5.084 7.280 15.095 1.00 93.00 32 A 1 ATOM 255 C CA . GLU A 1 32 ? -5.590 8.652 14.924 1.00 93.67 32 A 1 ATOM 256 C C . GLU A 1 32 ? -4.488 9.622 14.466 1.00 94.08 32 A 1 ATOM 257 O O . GLU A 1 32 ? -4.666 10.342 13.492 1.00 93.82 32 A 1 ATOM 258 C CB . GLU A 1 32 ? -6.220 9.159 16.234 1.00 93.56 32 A 1 ATOM 259 C CG . GLU A 1 32 ? -7.517 8.410 16.573 1.00 81.41 32 A 1 ATOM 260 C CD . GLU A 1 32 ? -8.172 8.887 17.888 1.00 74.83 32 A 1 ATOM 261 O OE1 . GLU A 1 32 ? -9.355 8.515 18.102 1.00 67.82 32 A 1 ATOM 262 O OE2 . GLU A 1 32 ? -7.488 9.554 18.694 1.00 68.85 32 A 1 ATOM 263 N N . GLY A 1 33 ? -3.299 9.537 15.060 1.00 94.76 33 A 1 ATOM 264 C CA . GLY A 1 33 ? -2.168 10.387 14.659 1.00 94.50 33 A 1 ATOM 265 C C . GLY A 1 33 ? -1.704 10.196 13.211 1.00 95.66 33 A 1 ATOM 266 O O . GLY A 1 33 ? -1.137 11.116 12.630 1.00 94.45 33 A 1 ATOM 267 N N . VAL A 1 34 ? -1.936 9.029 12.596 1.00 94.60 34 A 1 ATOM 268 C CA . VAL A 1 34 ? -1.675 8.810 11.165 1.00 94.72 34 A 1 ATOM 269 C C . VAL A 1 34 ? -2.733 9.517 10.320 1.00 95.08 34 A 1 ATOM 270 O O . VAL A 1 34 ? -2.386 10.174 9.347 1.00 94.85 34 A 1 ATOM 271 C CB . VAL A 1 34 ? -1.631 7.312 10.809 1.00 94.93 34 A 1 ATOM 272 C CG1 . VAL A 1 34 ? -1.400 7.068 9.312 1.00 92.38 34 A 1 ATOM 273 C CG2 . VAL A 1 34 ? -0.512 6.585 11.571 1.00 91.76 34 A 1 ATOM 274 N N . VAL A 1 35 ? -4.009 9.413 10.712 1.00 95.55 35 A 1 ATOM 275 C CA . VAL A 1 35 ? -5.117 10.091 10.022 1.00 94.06 35 A 1 ATOM 276 C C . VAL A 1 35 ? -4.944 11.609 10.081 1.00 93.67 35 A 1 ATOM 277 O O . VAL A 1 35 ? -5.053 12.276 9.058 1.00 93.67 35 A 1 ATOM 278 C CB . VAL A 1 35 ? -6.478 9.676 10.618 1.00 93.11 35 A 1 ATOM 279 C CG1 . VAL A 1 35 ? -7.644 10.373 9.913 1.00 90.15 35 A 1 ATOM 280 C CG2 . VAL A 1 35 ? -6.691 8.160 10.493 1.00 90.00 35 A 1 ATOM 281 N N . ASP A 1 36 ? -4.599 12.147 11.252 1.00 94.95 36 A 1 ATOM 282 C CA . ASP A 1 36 ? -4.357 13.576 11.437 1.00 95.03 36 A 1 ATOM 283 C C . ASP A 1 36 ? -3.180 14.055 10.590 1.00 94.79 36 A 1 ATOM 284 O O . ASP A 1 36 ? -3.253 15.100 9.936 1.00 94.56 36 A 1 ATOM 285 C CB . ASP A 1 36 ? -4.103 13.872 12.916 1.00 95.38 36 A 1 ATOM 286 C CG . ASP A 1 36 ? -5.340 13.682 13.800 1.00 93.14 36 A 1 ATOM 287 O OD1 . ASP A 1 36 ? -6.470 13.694 13.245 1.00 89.36 36 A 1 ATOM 288 O OD2 . ASP A 1 36 ? -5.138 13.536 15.022 1.00 89.55 36 A 1 ATOM 289 N N . LYS A 1 37 ? -2.104 13.258 10.507 1.00 95.58 37 A 1 ATOM 290 C CA . LYS A 1 37 ? -0.955 13.580 9.653 1.00 94.68 37 A 1 ATOM 291 C C . LYS A 1 37 ? -1.316 13.552 8.163 1.00 94.38 37 A 1 ATOM 292 O O . LYS A 1 37 ? -0.851 14.410 7.422 1.00 93.77 37 A 1 ATOM 293 C CB . LYS A 1 37 ? 0.208 12.637 9.977 1.00 94.43 37 A 1 ATOM 294 C CG . LYS A 1 37 ? 1.513 12.997 9.253 1.00 91.78 37 A 1 ATOM 295 C CD . LYS A 1 37 ? 2.029 14.417 9.513 1.00 90.32 37 A 1 ATOM 296 C CE . LYS A 1 37 ? 2.294 14.690 10.993 1.00 87.20 37 A 1 ATOM 297 N NZ . LYS A 1 37 ? 2.664 16.101 11.221 1.00 81.36 37 A 1 ATOM 298 N N . ILE A 1 38 ? -2.138 12.604 7.727 1.00 95.25 38 A 1 ATOM 299 C CA . ILE A 1 38 ? -2.647 12.568 6.356 1.00 93.87 38 A 1 ATOM 300 C C . ILE A 1 38 ? -3.443 13.842 6.046 1.00 92.48 38 A 1 ATOM 301 O O . ILE A 1 38 ? -3.204 14.466 5.013 1.00 91.51 38 A 1 ATOM 302 C CB . ILE A 1 38 ? -3.458 11.275 6.123 1.00 93.96 38 A 1 ATOM 303 C CG1 . ILE A 1 38 ? -2.490 10.082 5.986 1.00 93.59 38 A 1 ATOM 304 C CG2 . ILE A 1 38 ? -4.364 11.377 4.884 1.00 93.13 38 A 1 ATOM 305 C CD1 . ILE A 1 38 ? -3.184 8.709 6.027 1.00 91.05 38 A 1 ATOM 306 N N . ARG A 1 39 ? -4.330 14.278 6.946 1.00 93.02 39 A 1 ATOM 307 C CA . ARG A 1 39 ? -5.096 15.531 6.781 1.00 91.65 39 A 1 ATOM 308 C C . ARG A 1 39 ? -4.185 16.747 6.677 1.00 91.12 39 A 1 ATOM 309 O O . ARG A 1 39 ? -4.308 17.510 5.727 1.00 90.53 39 A 1 ATOM 310 C CB . ARG A 1 39 ? -6.082 15.708 7.940 1.00 91.70 39 A 1 ATOM 311 C CG . ARG A 1 39 ? -7.248 14.720 7.862 1.00 83.39 39 A 1 ATOM 312 C CD . ARG A 1 39 ? -8.113 14.888 9.104 1.00 80.81 39 A 1 ATOM 313 N NE . ARG A 1 39 ? -9.284 13.996 9.081 1.00 72.79 39 A 1 ATOM 314 C CZ . ARG A 1 39 ? -10.060 13.734 10.107 1.00 66.18 39 A 1 ATOM 315 N NH1 . ARG A 1 39 ? -9.852 14.262 11.281 1.00 60.75 39 A 1 ATOM 316 N NH2 . ARG A 1 39 ? -11.075 12.930 9.966 1.00 57.74 39 A 1 ATOM 317 N N . GLU A 1 40 ? -3.219 16.864 7.578 1.00 92.96 40 A 1 ATOM 318 C CA . GLU A 1 40 ? -2.215 17.931 7.528 1.00 92.46 40 A 1 ATOM 319 C C . GLU A 1 40 ? -1.479 17.960 6.174 1.00 91.83 40 A 1 ATOM 320 O O . GLU A 1 40 ? -1.252 19.013 5.590 1.00 90.88 40 A 1 ATOM 321 C CB . GLU A 1 40 ? -1.211 17.709 8.670 1.00 92.70 40 A 1 ATOM 322 C CG . GLU A 1 40 ? -0.131 18.802 8.819 1.00 88.32 40 A 1 ATOM 323 C CD . GLU A 1 40 ? 1.000 18.328 9.743 1.00 85.94 40 A 1 ATOM 324 O OE1 . GLU A 1 40 ? 2.191 18.395 9.369 1.00 78.42 40 A 1 ATOM 325 O OE2 . GLU A 1 40 ? 0.720 17.743 10.810 1.00 80.72 40 A 1 ATOM 326 N N . TRP A 1 41 ? -1.122 16.799 5.633 1.00 92.60 41 A 1 ATOM 327 C CA . TRP A 1 41 ? -0.434 16.692 4.355 1.00 91.60 41 A 1 ATOM 328 C C . TRP A 1 41 ? -1.322 17.036 3.151 1.00 89.96 41 A 1 ATOM 329 O O . TRP A 1 41 ? -0.799 17.568 2.177 1.00 87.96 41 A 1 ATOM 330 C CB . TRP A 1 41 ? 0.150 15.288 4.219 1.00 92.36 41 A 1 ATOM 331 C CG . TRP A 1 41 ? 1.328 14.975 5.095 1.00 92.73 41 A 1 ATOM 332 C CD1 . TRP A 1 41 ? 2.062 15.849 5.814 1.00 91.35 41 A 1 ATOM 333 C CD2 . TRP A 1 41 ? 1.949 13.669 5.299 1.00 92.98 41 A 1 ATOM 334 N NE1 . TRP A 1 41 ? 3.101 15.187 6.441 1.00 91.35 41 A 1 ATOM 335 C CE2 . TRP A 1 41 ? 3.083 13.850 6.139 1.00 92.29 41 A 1 ATOM 336 C CE3 . TRP A 1 41 ? 1.680 12.364 4.832 1.00 92.25 41 A 1 ATOM 337 C CZ2 . TRP A 1 41 ? 3.933 12.779 6.479 1.00 91.58 41 A 1 ATOM 338 C CZ3 . TRP A 1 41 ? 2.524 11.289 5.172 1.00 91.77 41 A 1 ATOM 339 C CH2 . TRP A 1 41 ? 3.651 11.498 5.981 1.00 91.33 41 A 1 ATOM 340 N N . MET A 1 42 ? -2.630 16.776 3.219 1.00 90.41 42 A 1 ATOM 341 C CA . MET A 1 42 ? -3.588 17.203 2.193 1.00 88.11 42 A 1 ATOM 342 C C . MET A 1 42 ? -3.781 18.722 2.199 1.00 87.61 42 A 1 ATOM 343 O O . MET A 1 42 ? -3.830 19.339 1.141 1.00 86.25 42 A 1 ATOM 344 C CB . MET A 1 42 ? -4.939 16.507 2.396 1.00 87.62 42 A 1 ATOM 345 C CG . MET A 1 42 ? -4.877 15.007 2.098 1.00 83.41 42 A 1 ATOM 346 S SD . MET A 1 42 ? -6.473 14.150 2.133 1.00 79.84 42 A 1 ATOM 347 C CE . MET A 1 42 ? -6.976 14.333 3.852 1.00 70.47 42 A 1 ATOM 348 N N . GLU A 1 43 ? -3.843 19.340 3.383 1.00 88.58 43 A 1 ATOM 349 C CA . GLU A 1 43 ? -3.996 20.790 3.548 1.00 88.74 43 A 1 ATOM 350 C C . GLU A 1 43 ? -2.731 21.565 3.162 1.00 88.11 43 A 1 ATOM 351 O O . GLU A 1 43 ? -2.803 22.700 2.695 1.00 86.71 43 A 1 ATOM 352 C CB . GLU A 1 43 ? -4.373 21.095 5.008 1.00 89.49 43 A 1 ATOM 353 C CG . GLU A 1 43 ? -5.799 20.645 5.345 1.00 84.59 43 A 1 ATOM 354 C CD . GLU A 1 43 ? -6.159 20.833 6.829 1.00 81.11 43 A 1 ATOM 355 O OE1 . GLU A 1 43 ? -7.285 20.411 7.202 1.00 74.63 43 A 1 ATOM 356 O OE2 . GLU A 1 43 ? -5.337 21.393 7.596 1.00 76.76 43 A 1 ATOM 357 N N . HIS A 1 44 ? -1.570 20.951 3.324 1.00 86.74 44 A 1 ATOM 358 C CA . HIS A 1 44 ? -0.270 21.562 3.059 1.00 85.54 44 A 1 ATOM 359 C C . HIS A 1 44 ? 0.561 20.718 2.082 1.00 84.31 44 A 1 ATOM 360 O O . HIS A 1 44 ? 1.521 20.063 2.502 1.00 81.68 44 A 1 ATOM 361 C CB . HIS A 1 44 ? 0.443 21.805 4.399 1.00 86.02 44 A 1 ATOM 362 C CG . HIS A 1 44 ? -0.359 22.657 5.342 1.00 84.08 44 A 1 ATOM 363 N ND1 . HIS A 1 44 ? -0.882 23.899 5.083 1.00 75.71 44 A 1 ATOM 364 C CD2 . HIS A 1 44 ? -0.746 22.324 6.606 1.00 74.87 44 A 1 ATOM 365 C CE1 . HIS A 1 44 ? -1.573 24.303 6.161 1.00 76.68 44 A 1 ATOM 366 N NE2 . HIS A 1 44 ? -1.500 23.382 7.121 1.00 78.08 44 A 1 ATOM 367 N N . PRO A 1 45 ? 0.222 20.692 0.776 1.00 84.96 45 A 1 ATOM 368 C CA . PRO A 1 45 ? 0.991 19.960 -0.222 1.00 82.88 45 A 1 ATOM 369 C C . PRO A 1 45 ? 2.430 20.495 -0.306 1.00 82.36 45 A 1 ATOM 370 O O . PRO A 1 45 ? 2.692 21.671 -0.074 1.00 78.65 45 A 1 ATOM 371 C CB . PRO A 1 45 ? 0.226 20.114 -1.536 1.00 80.40 45 A 1 ATOM 372 C CG . PRO A 1 45 ? -0.528 21.433 -1.354 1.00 78.75 45 A 1 ATOM 373 C CD . PRO A 1 45 ? -0.854 21.441 0.138 1.00 82.73 45 A 1 ATOM 374 N N . ILE A 1 46 ? 3.366 19.615 -0.623 1.00 80.96 46 A 1 ATOM 375 C CA . ILE A 1 46 ? 4.763 19.969 -0.868 1.00 79.07 46 A 1 ATOM 376 C C . ILE A 1 46 ? 5.154 19.571 -2.284 1.00 76.95 46 A 1 ATOM 377 O O . ILE A 1 46 ? 4.616 18.606 -2.827 1.00 73.58 46 A 1 ATOM 378 C CB . ILE A 1 46 ? 5.741 19.359 0.175 1.00 77.67 46 A 1 ATOM 379 C CG1 . ILE A 1 46 ? 5.749 17.810 0.154 1.00 74.35 46 A 1 ATOM 380 C CG2 . ILE A 1 46 ? 5.423 19.924 1.567 1.00 72.41 46 A 1 ATOM 381 C CD1 . ILE A 1 46 ? 6.873 17.188 0.998 1.00 70.88 46 A 1 ATOM 382 N N . SER A 1 47 ? 6.130 20.289 -2.855 1.00 72.81 47 A 1 ATOM 383 C CA . SER A 1 47 ? 6.904 19.818 -4.004 1.00 71.28 47 A 1 ATOM 384 C C . SER A 1 47 ? 8.227 19.261 -3.500 1.00 71.45 47 A 1 ATOM 385 O O . SER A 1 47 ? 8.813 19.836 -2.581 1.00 67.78 47 A 1 ATOM 386 C CB . SER A 1 47 ? 7.133 20.930 -5.019 1.00 66.40 47 A 1 ATOM 387 O OG . SER A 1 47 ? 7.366 20.346 -6.280 1.00 58.05 47 A 1 ATOM 388 N N . VAL A 1 48 ? 8.651 18.124 -4.035 1.00 69.11 48 A 1 ATOM 389 C CA . VAL A 1 48 ? 9.960 17.525 -3.721 1.00 67.91 48 A 1 ATOM 390 C C . VAL A 1 48 ? 10.804 17.623 -4.982 1.00 67.83 48 A 1 ATOM 391 O O . VAL A 1 48 ? 10.798 16.716 -5.811 1.00 62.72 48 A 1 ATOM 392 C CB . VAL A 1 48 ? 9.829 16.080 -3.204 1.00 64.42 48 A 1 ATOM 393 C CG1 . VAL A 1 48 ? 11.196 15.502 -2.811 1.00 59.18 48 A 1 ATOM 394 C CG2 . VAL A 1 48 ? 8.941 16.017 -1.955 1.00 60.24 48 A 1 ATOM 395 N N . ASP A 1 49 ? 11.477 18.758 -5.149 1.00 66.27 49 A 1 ATOM 396 C CA . ASP A 1 49 ? 12.218 19.092 -6.371 1.00 65.75 49 A 1 ATOM 397 C C . ASP A 1 49 ? 13.741 19.069 -6.166 1.00 66.03 49 A 1 ATOM 398 O O . ASP A 1 49 ? 14.508 19.082 -7.128 1.00 61.41 49 A 1 ATOM 399 C CB . ASP A 1 49 ? 11.748 20.469 -6.893 1.00 62.22 49 A 1 ATOM 400 C CG . ASP A 1 49 ? 10.279 20.505 -7.318 1.00 57.78 49 A 1 ATOM 401 O OD1 . ASP A 1 49 ? 9.791 19.507 -7.909 1.00 53.86 49 A 1 ATOM 402 O OD2 . ASP A 1 49 ? 9.618 21.543 -7.085 1.00 53.98 49 A 1 ATOM 403 N N . GLY A 1 50 ? 14.197 19.026 -4.908 1.00 60.59 50 A 1 ATOM 404 C CA . GLY A 1 50 ? 15.604 19.065 -4.532 1.00 60.44 50 A 1 ATOM 405 C C . GLY A 1 50 ? 16.134 17.762 -3.925 1.00 61.71 50 A 1 ATOM 406 O O . GLY A 1 50 ? 15.391 16.980 -3.342 1.00 57.72 50 A 1 ATOM 407 N N . PRO A 1 51 ? 17.456 17.509 -3.993 1.00 59.36 51 A 1 ATOM 408 C CA . PRO A 1 51 ? 18.078 16.317 -3.410 1.00 58.55 51 A 1 ATOM 409 C C . PRO A 1 51 ? 18.033 16.275 -1.878 1.00 60.66 51 A 1 ATOM 410 O O . PRO A 1 51 ? 18.141 15.187 -1.305 1.00 57.05 51 A 1 ATOM 411 C CB . PRO A 1 51 ? 19.523 16.344 -3.921 1.00 54.19 51 A 1 ATOM 412 C CG . PRO A 1 51 ? 19.806 17.830 -4.139 1.00 52.62 51 A 1 ATOM 413 C CD . PRO A 1 51 ? 18.459 18.373 -4.610 1.00 57.43 51 A 1 ATOM 414 N N . ASP A 1 52 ? 17.874 17.440 -1.223 1.00 53.88 52 A 1 ATOM 415 C CA . ASP A 1 52 ? 17.800 17.584 0.227 1.00 54.80 52 A 1 ATOM 416 C C . ASP A 1 52 ? 16.352 17.620 0.743 1.00 57.77 52 A 1 ATOM 417 O O . ASP A 1 52 ? 16.125 17.585 1.964 1.00 53.84 52 A 1 ATOM 418 C CB . ASP A 1 52 ? 18.577 18.842 0.655 1.00 49.24 52 A 1 ATOM 419 C CG . ASP A 1 52 ? 20.068 18.762 0.327 1.00 44.04 52 A 1 ATOM 420 O OD1 . ASP A 1 52 ? 20.673 17.677 0.531 1.00 39.87 52 A 1 ATOM 421 O OD2 . ASP A 1 52 ? 20.624 19.784 -0.134 1.00 39.86 52 A 1 ATOM 422 N N . ASP A 1 53 ? 15.372 17.650 -0.162 1.00 65.85 53 A 1 ATOM 423 C CA . ASP A 1 53 ? 13.969 17.592 0.213 1.00 67.85 53 A 1 ATOM 424 C C . ASP A 1 53 ? 13.630 16.203 0.757 1.00 72.24 53 A 1 ATOM 425 O O . ASP A 1 53 ? 14.051 15.162 0.241 1.00 68.69 53 A 1 ATOM 426 C CB . ASP A 1 53 ? 13.057 17.987 -0.954 1.00 61.96 53 A 1 ATOM 427 C CG . ASP A 1 53 ? 13.195 19.451 -1.361 1.00 56.17 53 A 1 ATOM 428 O OD1 . ASP A 1 53 ? 13.439 20.287 -0.466 1.00 51.97 53 A 1 ATOM 429 O OD2 . ASP A 1 53 ? 13.028 19.722 -2.575 1.00 51.03 53 A 1 ATOM 430 N N . SER A 1 54 ? 12.876 16.193 1.850 1.00 80.52 54 A 1 ATOM 431 C CA . SER A 1 54 ? 12.517 14.955 2.525 1.00 83.13 54 A 1 ATOM 432 C C . SER A 1 54 ? 11.119 14.507 2.096 1.00 86.07 54 A 1 ATOM 433 O O . SER A 1 54 ? 10.134 15.103 2.552 1.00 84.55 54 A 1 ATOM 434 C CB . SER A 1 54 ? 12.595 15.135 4.042 1.00 78.71 54 A 1 ATOM 435 O OG . SER A 1 54 ? 13.950 15.183 4.440 1.00 69.90 54 A 1 ATOM 436 N N . PRO A 1 55 ? 11.005 13.446 1.277 1.00 86.48 55 A 1 ATOM 437 C CA . PRO A 1 55 ? 9.713 12.916 0.877 1.00 88.48 55 A 1 ATOM 438 C C . PRO A 1 55 ? 8.850 12.542 2.078 1.00 90.50 55 A 1 ATOM 439 O O . PRO A 1 55 ? 9.347 12.034 3.090 1.00 89.49 55 A 1 ATOM 440 C CB . PRO A 1 55 ? 10.006 11.698 -0.004 1.00 85.60 55 A 1 ATOM 441 C CG . PRO A 1 55 ? 11.411 11.970 -0.531 1.00 82.82 55 A 1 ATOM 442 C CD . PRO A 1 55 ? 12.074 12.704 0.626 1.00 85.43 55 A 1 ATOM 443 N N . ARG A 1 56 ? 7.542 12.751 1.951 1.00 90.91 56 A 1 ATOM 444 C CA . ARG A 1 56 ? 6.553 12.273 2.916 1.00 92.12 56 A 1 ATOM 445 C C . ARG A 1 56 ? 6.298 10.799 2.663 1.00 92.62 56 A 1 ATOM 446 O O . ARG A 1 56 ? 5.985 10.417 1.538 1.00 92.06 56 A 1 ATOM 447 C CB . ARG A 1 56 ? 5.256 13.073 2.775 1.00 91.16 56 A 1 ATOM 448 C CG . ARG A 1 56 ? 5.428 14.533 3.225 1.00 90.23 56 A 1 ATOM 449 C CD . ARG A 1 56 ? 4.155 15.301 2.900 1.00 88.64 56 A 1 ATOM 450 N NE . ARG A 1 56 ? 4.215 16.689 3.403 1.00 86.20 56 A 1 ATOM 451 C CZ . ARG A 1 56 ? 3.312 17.624 3.176 1.00 83.41 56 A 1 ATOM 452 N NH1 . ARG A 1 56 ? 2.282 17.417 2.405 1.00 80.53 56 A 1 ATOM 453 N NH2 . ARG A 1 56 ? 3.417 18.792 3.721 1.00 78.53 56 A 1 ATOM 454 N N . CYS A 1 57 ? 6.408 9.980 3.688 1.00 92.70 57 A 1 ATOM 455 C CA . CYS A 1 57 ? 6.311 8.534 3.546 1.00 93.50 57 A 1 ATOM 456 C C . CYS A 1 57 ? 5.284 7.936 4.510 1.00 94.14 57 A 1 ATOM 457 O O . CYS A 1 57 ? 5.264 8.257 5.707 1.00 94.39 57 A 1 ATOM 458 C CB . CYS A 1 57 ? 7.687 7.901 3.732 1.00 92.66 57 A 1 ATOM 459 S SG . CYS A 1 57 ? 8.820 8.438 2.416 1.00 87.66 57 A 1 ATOM 460 N N . LEU A 1 58 ? 4.495 7.002 3.999 1.00 94.09 58 A 1 ATOM 461 C CA . LEU A 1 58 ? 3.721 6.062 4.795 1.00 94.47 58 A 1 ATOM 462 C C . LEU A 1 58 ? 4.425 4.699 4.798 1.00 94.60 58 A 1 ATOM 463 O O . LEU A 1 58 ? 4.957 4.249 3.786 1.00 94.99 58 A 1 ATOM 464 C CB . LEU A 1 58 ? 2.279 5.956 4.262 1.00 94.70 58 A 1 ATOM 465 C CG . LEU A 1 58 ? 1.452 7.241 4.447 1.00 93.88 58 A 1 ATOM 466 C CD1 . LEU A 1 58 ? 0.108 7.100 3.740 1.00 90.93 58 A 1 ATOM 467 C CD2 . LEU A 1 58 ? 1.187 7.549 5.920 1.00 91.87 58 A 1 ATOM 468 N N . TYR A 1 59 ? 4.418 4.058 5.945 1.00 94.79 59 A 1 ATOM 469 C CA . TYR A 1 59 ? 5.031 2.750 6.137 1.00 94.42 59 A 1 ATOM 470 C C . TYR A 1 59 ? 3.964 1.735 6.516 1.00 94.37 59 A 1 ATOM 471 O O . TYR A 1 59 ? 3.247 1.914 7.500 1.00 93.96 59 A 1 ATOM 472 C CB . TYR A 1 59 ? 6.126 2.820 7.206 1.00 94.26 59 A 1 ATOM 473 C CG . TYR A 1 59 ? 7.160 3.905 6.972 1.00 93.55 59 A 1 ATOM 474 C CD1 . TYR A 1 59 ? 8.119 3.770 5.951 1.00 88.83 59 A 1 ATOM 475 C CD2 . TYR A 1 59 ? 7.148 5.075 7.767 1.00 89.69 59 A 1 ATOM 476 C CE1 . TYR A 1 59 ? 9.056 4.789 5.716 1.00 87.66 59 A 1 ATOM 477 C CE2 . TYR A 1 59 ? 8.080 6.091 7.536 1.00 87.84 59 A 1 ATOM 478 C CZ . TYR A 1 59 ? 9.040 5.955 6.514 1.00 89.95 59 A 1 ATOM 479 O OH . TYR A 1 59 ? 9.945 6.947 6.289 1.00 87.39 59 A 1 ATOM 480 N N . ILE A 1 60 ? 3.897 0.651 5.751 1.00 94.38 60 A 1 ATOM 481 C CA . ILE A 1 60 ? 3.006 -0.477 5.998 1.00 93.42 60 A 1 ATOM 482 C C . ILE A 1 60 ? 3.825 -1.602 6.615 1.00 92.89 60 A 1 ATOM 483 O O . ILE A 1 60 ? 4.634 -2.245 5.932 1.00 92.08 60 A 1 ATOM 484 C CB . ILE A 1 60 ? 2.309 -0.949 4.703 1.00 92.42 60 A 1 ATOM 485 C CG1 . ILE A 1 60 ? 1.641 0.220 3.950 1.00 90.79 60 A 1 ATOM 486 C CG2 . ILE A 1 60 ? 1.309 -2.066 5.047 1.00 90.41 60 A 1 ATOM 487 C CD1 . ILE A 1 60 ? 0.960 -0.201 2.641 1.00 86.62 60 A 1 ATOM 488 N N . ARG A 1 61 ? 3.585 -1.871 7.890 1.00 93.58 61 A 1 ATOM 489 C CA . ARG A 1 61 ? 4.054 -3.085 8.528 1.00 91.86 61 A 1 ATOM 490 C C . ARG A 1 61 ? 2.944 -4.122 8.443 1.00 91.02 61 A 1 ATOM 491 O O . ARG A 1 61 ? 1.914 -3.993 9.094 1.00 90.03 61 A 1 ATOM 492 C CB . ARG A 1 61 ? 4.490 -2.775 9.958 1.00 91.00 61 A 1 ATOM 493 C CG . ARG A 1 61 ? 5.209 -3.976 10.570 1.00 81.89 61 A 1 ATOM 494 C CD . ARG A 1 61 ? 5.833 -3.576 11.906 1.00 78.17 61 A 1 ATOM 495 N NE . ARG A 1 61 ? 6.597 -4.678 12.499 1.00 71.48 61 A 1 ATOM 496 C CZ . ARG A 1 61 ? 7.401 -4.581 13.538 1.00 65.11 61 A 1 ATOM 497 N NH1 . ARG A 1 61 ? 7.600 -3.450 14.143 1.00 59.57 61 A 1 ATOM 498 N NH2 . ARG A 1 61 ? 8.022 -5.637 13.999 1.00 57.55 61 A 1 ATOM 499 N N . ASP A 1 62 ? 3.159 -5.139 7.617 1.00 90.23 62 A 1 ATOM 500 C CA . ASP A 1 62 ? 2.203 -6.205 7.345 1.00 87.75 62 A 1 ATOM 501 C C . ASP A 1 62 ? 2.768 -7.554 7.808 1.00 87.36 62 A 1 ATOM 502 O O . ASP A 1 62 ? 3.052 -8.452 7.017 1.00 83.78 62 A 1 ATOM 503 C CB . ASP A 1 62 ? 1.807 -6.160 5.853 1.00 84.70 62 A 1 ATOM 504 C CG . ASP A 1 62 ? 0.625 -7.060 5.502 1.00 80.28 62 A 1 ATOM 505 O OD1 . ASP A 1 62 ? -0.123 -7.448 6.418 1.00 75.40 62 A 1 ATOM 506 O OD2 . ASP A 1 62 ? 0.429 -7.306 4.288 1.00 75.74 62 A 1 ATOM 507 N N . HIS A 1 63 ? 3.021 -7.647 9.108 1.00 87.96 63 A 1 ATOM 508 C CA . HIS A 1 63 ? 3.484 -8.872 9.755 1.00 85.67 63 A 1 ATOM 509 C C . HIS A 1 63 ? 2.291 -9.595 10.402 1.00 86.06 63 A 1 ATOM 510 O O . HIS A 1 63 ? 1.427 -8.926 10.955 1.00 84.14 63 A 1 ATOM 511 C CB . HIS A 1 63 ? 4.566 -8.522 10.788 1.00 82.61 63 A 1 ATOM 512 C CG . HIS A 1 63 ? 5.313 -9.733 11.269 1.00 74.56 63 A 1 ATOM 513 N ND1 . HIS A 1 63 ? 5.044 -10.486 12.389 1.00 64.43 63 A 1 ATOM 514 C CD2 . HIS A 1 63 ? 6.371 -10.330 10.630 1.00 62.92 63 A 1 ATOM 515 C CE1 . HIS A 1 63 ? 5.916 -11.511 12.430 1.00 61.14 63 A 1 ATOM 516 N NE2 . HIS A 1 63 ? 6.737 -11.452 11.372 1.00 62.11 63 A 1 ATOM 517 N N . PRO A 1 64 ? 2.228 -10.946 10.396 1.00 86.29 64 A 1 ATOM 518 C CA . PRO A 1 64 ? 1.094 -11.689 10.959 1.00 85.77 64 A 1 ATOM 519 C C . PRO A 1 64 ? 0.704 -11.291 12.391 1.00 86.21 64 A 1 ATOM 520 O O . PRO A 1 64 ? -0.477 -11.287 12.725 1.00 82.20 64 A 1 ATOM 521 C CB . PRO A 1 64 ? 1.514 -13.155 10.896 1.00 84.01 64 A 1 ATOM 522 C CG . PRO A 1 64 ? 2.435 -13.200 9.686 1.00 82.21 64 A 1 ATOM 523 C CD . PRO A 1 64 ? 3.158 -11.857 9.745 1.00 84.95 64 A 1 ATOM 524 N N . GLU A 1 65 ? 1.682 -10.915 13.207 1.00 84.42 65 A 1 ATOM 525 C CA . GLU A 1 65 ? 1.483 -10.512 14.609 1.00 84.38 65 A 1 ATOM 526 C C . GLU A 1 65 ? 1.315 -8.998 14.797 1.00 85.01 65 A 1 ATOM 527 O O . GLU A 1 65 ? 0.904 -8.550 15.871 1.00 81.99 65 A 1 ATOM 528 C CB . GLU A 1 65 ? 2.676 -11.007 15.440 1.00 82.35 65 A 1 ATOM 529 C CG . GLU A 1 65 ? 2.835 -12.530 15.374 1.00 74.24 65 A 1 ATOM 530 C CD . GLU A 1 65 ? 4.055 -13.039 16.157 1.00 67.44 65 A 1 ATOM 531 O OE1 . GLU A 1 65 ? 4.128 -14.274 16.361 1.00 61.54 65 A 1 ATOM 532 O OE2 . GLU A 1 65 ? 4.930 -12.213 16.503 1.00 62.86 65 A 1 ATOM 533 N N . ASP A 1 66 ? 1.651 -8.193 13.795 1.00 86.23 66 A 1 ATOM 534 C CA . ASP A 1 66 ? 1.759 -6.745 13.931 1.00 86.02 66 A 1 ATOM 535 C C . ASP A 1 66 ? 1.539 -6.058 12.578 1.00 88.10 66 A 1 ATOM 536 O O . ASP A 1 66 ? 2.425 -5.983 11.729 1.00 85.10 66 A 1 ATOM 537 C CB . ASP A 1 66 ? 3.123 -6.411 14.539 1.00 81.39 66 A 1 ATOM 538 C CG . ASP A 1 66 ? 3.232 -4.968 15.014 1.00 73.34 66 A 1 ATOM 539 O OD1 . ASP A 1 66 ? 2.185 -4.314 15.208 1.00 68.31 66 A 1 ATOM 540 O OD2 . ASP A 1 66 ? 4.395 -4.538 15.194 1.00 67.91 66 A 1 ATOM 541 N N . ARG A 1 67 ? 0.292 -5.596 12.369 1.00 89.05 67 A 1 ATOM 542 C CA . ARG A 1 67 ? -0.189 -5.022 11.107 1.00 90.20 67 A 1 ATOM 543 C C . ARG A 1 67 ? -0.654 -3.596 11.337 1.00 91.67 67 A 1 ATOM 544 O O . ARG A 1 67 ? -1.771 -3.373 11.800 1.00 89.70 67 A 1 ATOM 545 C CB . ARG A 1 67 ? -1.309 -5.880 10.506 1.00 88.79 67 A 1 ATOM 546 C CG . ARG A 1 67 ? -0.896 -7.342 10.313 1.00 85.68 67 A 1 ATOM 547 C CD . ARG A 1 67 ? -2.013 -8.155 9.661 1.00 82.90 67 A 1 ATOM 548 N NE . ARG A 1 67 ? -2.109 -7.865 8.225 1.00 77.32 67 A 1 ATOM 549 C CZ . ARG A 1 67 ? -3.116 -8.168 7.419 1.00 71.62 67 A 1 ATOM 550 N NH1 . ARG A 1 67 ? -4.201 -8.730 7.858 1.00 66.95 67 A 1 ATOM 551 N NH2 . ARG A 1 67 ? -3.033 -7.902 6.162 1.00 63.09 67 A 1 ATOM 552 N N . PHE A 1 68 ? 0.180 -2.624 11.038 1.00 92.85 68 A 1 ATOM 553 C CA . PHE A 1 68 ? -0.145 -1.218 11.257 1.00 93.23 68 A 1 ATOM 554 C C . PHE A 1 68 ? 0.511 -0.283 10.245 1.00 93.91 68 A 1 ATOM 555 O O . PHE A 1 68 ? 1.469 -0.640 9.554 1.00 93.73 68 A 1 ATOM 556 C CB . PHE A 1 68 ? 0.204 -0.810 12.703 1.00 91.68 68 A 1 ATOM 557 C CG . PHE A 1 68 ? 1.684 -0.715 13.008 1.00 89.33 68 A 1 ATOM 558 C CD1 . PHE A 1 68 ? 2.376 -1.845 13.474 1.00 84.49 68 A 1 ATOM 559 C CD2 . PHE A 1 68 ? 2.368 0.499 12.841 1.00 85.02 68 A 1 ATOM 560 C CE1 . PHE A 1 68 ? 3.743 -1.759 13.770 1.00 78.37 68 A 1 ATOM 561 C CE2 . PHE A 1 68 ? 3.744 0.587 13.137 1.00 81.17 68 A 1 ATOM 562 C CZ . PHE A 1 68 ? 4.428 -0.540 13.596 1.00 80.76 68 A 1 ATOM 563 N N . ILE A 1 69 ? -0.011 0.948 10.207 1.00 91.83 69 A 1 ATOM 564 C CA . ILE A 1 69 ? 0.530 2.061 9.442 1.00 92.02 69 A 1 ATOM 565 C C . ILE A 1 69 ? 1.284 3.010 10.374 1.00 91.50 69 A 1 ATOM 566 O O . ILE A 1 69 ? 0.833 3.319 11.474 1.00 91.83 69 A 1 ATOM 567 C CB . ILE A 1 69 ? -0.586 2.794 8.670 1.00 92.94 69 A 1 ATOM 568 C CG1 . ILE A 1 69 ? -1.414 1.838 7.785 1.00 90.92 69 A 1 ATOM 569 C CG2 . ILE A 1 69 ? -0.012 3.932 7.818 1.00 91.46 69 A 1 ATOM 570 C CD1 . ILE A 1 69 ? -0.594 1.012 6.793 1.00 85.36 69 A 1 ATOM 571 N N . SER A 1 70 ? 2.421 3.497 9.904 1.00 95.13 70 A 1 ATOM 572 C CA . SER A 1 70 ? 3.125 4.629 10.492 1.00 94.85 70 A 1 ATOM 573 C C . SER A 1 70 ? 3.506 5.635 9.410 1.00 95.08 70 A 1 ATOM 574 O O . SER A 1 70 ? 3.357 5.366 8.217 1.00 95.13 70 A 1 ATOM 575 C CB . SER A 1 70 ? 4.329 4.162 11.314 1.00 94.21 70 A 1 ATOM 576 O OG . SER A 1 70 ? 5.272 3.468 10.515 1.00 91.83 70 A 1 ATOM 577 N N . TYR A 1 71 ? 3.973 6.807 9.814 1.00 94.30 71 A 1 ATOM 578 C CA . TYR A 1 71 ? 4.378 7.861 8.888 1.00 94.00 71 A 1 ATOM 579 C C . TYR A 1 71 ? 5.768 8.398 9.235 1.00 93.37 71 A 1 ATOM 580 O O . TYR A 1 71 ? 6.296 8.150 10.328 1.00 91.93 71 A 1 ATOM 581 C CB . TYR A 1 71 ? 3.317 8.971 8.868 1.00 94.34 71 A 1 ATOM 582 C CG . TYR A 1 71 ? 3.169 9.725 10.175 1.00 95.10 71 A 1 ATOM 583 C CD1 . TYR A 1 71 ? 2.245 9.301 11.144 1.00 92.08 71 A 1 ATOM 584 C CD2 . TYR A 1 71 ? 3.988 10.849 10.437 1.00 92.84 71 A 1 ATOM 585 C CE1 . TYR A 1 71 ? 2.113 9.989 12.358 1.00 90.98 71 A 1 ATOM 586 C CE2 . TYR A 1 71 ? 3.856 11.547 11.653 1.00 91.27 71 A 1 ATOM 587 C CZ . TYR A 1 71 ? 2.920 11.119 12.612 1.00 92.60 71 A 1 ATOM 588 O OH . TYR A 1 71 ? 2.796 11.800 13.778 1.00 90.45 71 A 1 ATOM 589 N N . GLY A 1 72 ? 6.371 9.126 8.300 1.00 94.29 72 A 1 ATOM 590 C CA . GLY A 1 72 ? 7.633 9.818 8.507 1.00 93.04 72 A 1 ATOM 591 C C . GLY A 1 72 ? 8.072 10.594 7.276 1.00 93.39 72 A 1 ATOM 592 O O . GLY A 1 72 ? 7.309 10.772 6.330 1.00 92.39 72 A 1 ATOM 593 N N . THR A 1 73 ? 9.314 11.040 7.304 1.00 91.39 73 A 1 ATOM 594 C CA . THR A 1 73 ? 9.956 11.749 6.198 1.00 89.49 73 A 1 ATOM 595 C C . THR A 1 73 ? 11.233 11.031 5.773 1.00 88.04 73 A 1 ATOM 596 O O . THR A 1 73 ? 11.899 10.385 6.584 1.00 84.26 73 A 1 ATOM 597 C CB . THR A 1 73 ? 10.243 13.217 6.552 1.00 87.47 73 A 1 ATOM 598 O OG1 . THR A 1 73 ? 10.992 13.304 7.744 1.00 81.91 73 A 1 ATOM 599 C CG2 . THR A 1 73 ? 8.957 14.010 6.764 1.00 79.27 73 A 1 ATOM 600 N N . GLY A 1 74 ? 11.566 11.159 4.490 1.00 87.66 74 A 1 ATOM 601 C CA . GLY A 1 74 ? 12.734 10.531 3.881 1.00 86.79 74 A 1 ATOM 602 C C . GLY A 1 74 ? 12.513 9.064 3.492 1.00 88.17 74 A 1 ATOM 603 O O . GLY A 1 74 ? 11.816 8.311 4.163 1.00 86.38 74 A 1 ATOM 604 N N . LEU A 1 75 ? 13.163 8.665 2.398 1.00 87.61 75 A 1 ATOM 605 C CA . LEU A 1 75 ? 13.097 7.302 1.870 1.00 87.88 75 A 1 ATOM 606 C C . LEU A 1 75 ? 14.052 6.377 2.640 1.00 88.69 75 A 1 ATOM 607 O O . LEU A 1 75 ? 15.262 6.328 2.377 1.00 87.61 75 A 1 ATOM 608 C CB . LEU A 1 75 ? 13.419 7.316 0.368 1.00 86.11 75 A 1 ATOM 609 C CG . LEU A 1 75 ? 12.359 8.002 -0.509 1.00 82.33 75 A 1 ATOM 610 C CD1 . LEU A 1 75 ? 12.876 8.134 -1.935 1.00 79.24 75 A 1 ATOM 611 C CD2 . LEU A 1 75 ? 11.046 7.217 -0.560 1.00 79.26 75 A 1 ATOM 612 N N . ARG A 1 76 ? 13.515 5.624 3.593 1.00 90.15 76 A 1 ATOM 613 C CA . ARG A 1 76 ? 14.284 4.671 4.410 1.00 90.69 76 A 1 ATOM 614 C C . ARG A 1 76 ? 14.779 3.481 3.592 1.00 91.48 76 A 1 ATOM 615 O O . ARG A 1 76 ? 15.877 2.996 3.852 1.00 91.00 76 A 1 ATOM 616 C CB . ARG A 1 76 ? 13.467 4.191 5.609 1.00 90.98 76 A 1 ATOM 617 C CG . ARG A 1 76 ? 13.128 5.327 6.574 1.00 90.07 76 A 1 ATOM 618 C CD . ARG A 1 76 ? 12.386 4.759 7.776 1.00 86.37 76 A 1 ATOM 619 N NE . ARG A 1 76 ? 12.039 5.826 8.738 1.00 79.87 76 A 1 ATOM 620 C CZ . ARG A 1 76 ? 11.635 5.650 9.991 1.00 72.70 76 A 1 ATOM 621 N NH1 . ARG A 1 76 ? 11.510 4.462 10.503 1.00 68.55 76 A 1 ATOM 622 N NH2 . ARG A 1 76 ? 11.371 6.681 10.737 1.00 65.99 76 A 1 ATOM 623 N N . SER A 1 77 ? 14.032 3.065 2.580 1.00 91.58 77 A 1 ATOM 624 C CA . SER A 1 77 ? 14.434 1.996 1.661 1.00 90.96 77 A 1 ATOM 625 C C . SER A 1 77 ? 15.760 2.283 0.945 1.00 91.09 77 A 1 ATOM 626 O O . SER A 1 77 ? 16.481 1.347 0.605 1.00 90.91 77 A 1 ATOM 627 C CB . SER A 1 77 ? 13.341 1.741 0.629 1.00 90.94 77 A 1 ATOM 628 O OG . SER A 1 77 ? 13.087 2.910 -0.130 1.00 88.43 77 A 1 ATOM 629 N N . LYS A 1 78 ? 16.118 3.558 0.771 1.00 89.77 78 A 1 ATOM 630 C CA . LYS A 1 78 ? 17.407 3.969 0.189 1.00 87.66 78 A 1 ATOM 631 C C . LYS A 1 78 ? 18.588 3.658 1.118 1.00 87.97 78 A 1 ATOM 632 O O . LYS A 1 78 ? 19.665 3.326 0.637 1.00 86.57 78 A 1 ATOM 633 C CB . LYS A 1 78 ? 17.327 5.471 -0.148 1.00 86.00 78 A 1 ATOM 634 C CG . LYS A 1 78 ? 18.559 5.984 -0.923 1.00 78.16 78 A 1 ATOM 635 C CD . LYS A 1 78 ? 18.384 7.475 -1.261 1.00 74.29 78 A 1 ATOM 636 C CE . LYS A 1 78 ? 19.617 8.028 -1.989 1.00 67.30 78 A 1 ATOM 637 N NZ . LYS A 1 78 ? 19.494 9.492 -2.239 1.00 59.86 78 A 1 ATOM 638 N N . TRP A 1 79 ? 18.377 3.773 2.431 1.00 91.00 79 A 1 ATOM 639 C CA . TRP A 1 79 ? 19.451 3.679 3.437 1.00 89.24 79 A 1 ATOM 640 C C . TRP A 1 79 ? 19.402 2.380 4.257 1.00 90.85 79 A 1 ATOM 641 O O . TRP A 1 79 ? 20.419 1.976 4.815 1.00 87.80 79 A 1 ATOM 642 C CB . TRP A 1 79 ? 19.345 4.908 4.351 1.00 86.09 79 A 1 ATOM 643 C CG . TRP A 1 79 ? 19.322 6.221 3.639 1.00 79.84 79 A 1 ATOM 644 C CD1 . TRP A 1 79 ? 18.252 7.033 3.510 1.00 70.33 79 A 1 ATOM 645 C CD2 . TRP A 1 79 ? 20.421 6.899 2.939 1.00 73.71 79 A 1 ATOM 646 N NE1 . TRP A 1 79 ? 18.599 8.170 2.790 1.00 64.66 79 A 1 ATOM 647 C CE2 . TRP A 1 79 ? 19.925 8.135 2.421 1.00 68.24 79 A 1 ATOM 648 C CE3 . TRP A 1 79 ? 21.774 6.592 2.705 1.00 61.74 79 A 1 ATOM 649 C CZ2 . TRP A 1 79 ? 20.745 9.037 1.708 1.00 65.78 79 A 1 ATOM 650 C CZ3 . TRP A 1 79 ? 22.597 7.488 1.995 1.00 60.65 79 A 1 ATOM 651 C CH2 . TRP A 1 79 ? 22.096 8.705 1.501 1.00 60.42 79 A 1 ATOM 652 N N . GLN A 1 80 ? 18.245 1.732 4.327 1.00 91.49 80 A 1 ATOM 653 C CA . GLN A 1 80 ? 18.003 0.499 5.077 1.00 92.37 80 A 1 ATOM 654 C C . GLN A 1 80 ? 17.251 -0.532 4.212 1.00 93.27 80 A 1 ATOM 655 O O . GLN A 1 80 ? 16.141 -0.944 4.549 1.00 93.45 80 A 1 ATOM 656 C CB . GLN A 1 80 ? 17.244 0.820 6.383 1.00 92.54 80 A 1 ATOM 657 C CG . GLN A 1 80 ? 18.003 1.782 7.304 1.00 88.79 80 A 1 ATOM 658 C CD . GLN A 1 80 ? 17.199 2.139 8.550 1.00 85.55 80 A 1 ATOM 659 O OE1 . GLN A 1 80 ? 16.422 1.373 9.094 1.00 77.83 80 A 1 ATOM 660 N NE2 . GLN A 1 80 ? 17.336 3.343 9.054 1.00 75.21 80 A 1 ATOM 661 N N . PRO A 1 81 ? 17.840 -0.963 3.069 1.00 92.43 81 A 1 ATOM 662 C CA . PRO A 1 81 ? 17.163 -1.837 2.113 1.00 92.23 81 A 1 ATOM 663 C C . PRO A 1 81 ? 16.850 -3.232 2.661 1.00 92.58 81 A 1 ATOM 664 O O . PRO A 1 81 ? 16.004 -3.927 2.109 1.00 90.79 81 A 1 ATOM 665 C CB . PRO A 1 81 ? 18.124 -1.910 0.914 1.00 91.91 81 A 1 ATOM 666 C CG . PRO A 1 81 ? 19.493 -1.678 1.535 1.00 91.57 81 A 1 ATOM 667 C CD . PRO A 1 81 ? 19.193 -0.651 2.623 1.00 93.86 81 A 1 ATOM 668 N N . ASP A 1 82 ? 17.480 -3.637 3.756 1.00 92.72 82 A 1 ATOM 669 C CA . ASP A 1 82 ? 17.182 -4.915 4.416 1.00 92.59 82 A 1 ATOM 670 C C . ASP A 1 82 ? 15.885 -4.876 5.225 1.00 92.91 82 A 1 ATOM 671 O O . ASP A 1 82 ? 15.212 -5.894 5.364 1.00 91.95 82 A 1 ATOM 672 C CB . ASP A 1 82 ? 18.379 -5.328 5.286 1.00 92.18 82 A 1 ATOM 673 C CG . ASP A 1 82 ? 19.632 -5.556 4.433 1.00 85.75 82 A 1 ATOM 674 O OD1 . ASP A 1 82 ? 19.468 -6.075 3.299 1.00 79.23 82 A 1 ATOM 675 O OD2 . ASP A 1 82 ? 20.726 -5.179 4.907 1.00 80.09 82 A 1 ATOM 676 N N . MET A 1 83 ? 15.505 -3.691 5.708 1.00 91.73 83 A 1 ATOM 677 C CA . MET A 1 83 ? 14.338 -3.461 6.558 1.00 91.47 83 A 1 ATOM 678 C C . MET A 1 83 ? 13.139 -2.900 5.793 1.00 92.27 83 A 1 ATOM 679 O O . MET A 1 83 ? 12.001 -3.221 6.120 1.00 92.56 83 A 1 ATOM 680 C CB . MET A 1 83 ? 14.732 -2.501 7.692 1.00 91.00 83 A 1 ATOM 681 C CG . MET A 1 83 ? 15.794 -3.085 8.634 1.00 85.74 83 A 1 ATOM 682 S SD . MET A 1 83 ? 15.271 -4.567 9.562 1.00 78.90 83 A 1 ATOM 683 C CE . MET A 1 83 ? 14.031 -3.846 10.674 1.00 66.36 83 A 1 ATOM 684 N N . TYR A 1 84 ? 13.392 -2.078 4.770 1.00 89.80 84 A 1 ATOM 685 C CA . TYR A 1 84 ? 12.366 -1.350 4.025 1.00 89.54 84 A 1 ATOM 686 C C . TYR A 1 84 ? 12.424 -1.692 2.537 1.00 89.05 84 A 1 ATOM 687 O O . TYR A 1 84 ? 13.496 -1.889 1.962 1.00 89.36 84 A 1 ATOM 688 C CB . TYR A 1 84 ? 12.499 0.156 4.257 1.00 90.18 84 A 1 ATOM 689 C CG . TYR A 1 84 ? 12.263 0.584 5.690 1.00 89.98 84 A 1 ATOM 690 C CD1 . TYR A 1 84 ? 10.978 0.975 6.108 1.00 84.90 84 A 1 ATOM 691 C CD2 . TYR A 1 84 ? 13.320 0.556 6.622 1.00 86.90 84 A 1 ATOM 692 C CE1 . TYR A 1 84 ? 10.748 1.333 7.452 1.00 84.12 84 A 1 ATOM 693 C CE2 . TYR A 1 84 ? 13.094 0.898 7.961 1.00 85.23 84 A 1 ATOM 694 C CZ . TYR A 1 84 ? 11.807 1.285 8.382 1.00 87.28 84 A 1 ATOM 695 O OH . TYR A 1 84 ? 11.578 1.599 9.684 1.00 85.78 84 A 1 ATOM 696 N N . ALA A 1 85 ? 11.271 -1.734 1.890 1.00 91.67 85 A 1 ATOM 697 C CA . ALA A 1 85 ? 11.145 -1.911 0.455 1.00 91.09 85 A 1 ATOM 698 C C . ALA A 1 85 ? 10.215 -0.842 -0.116 1.00 91.23 85 A 1 ATOM 699 O O . ALA A 1 85 ? 9.076 -0.718 0.333 1.00 91.17 85 A 1 ATOM 700 C CB . ALA A 1 85 ? 10.631 -3.327 0.164 1.00 90.37 85 A 1 ATOM 701 N N . LEU A 1 86 ? 10.693 -0.104 -1.116 1.00 91.23 86 A 1 ATOM 702 C CA . LEU A 1 86 ? 9.858 0.862 -1.820 1.00 89.70 86 A 1 ATOM 703 C C . LEU A 1 86 ? 8.697 0.136 -2.506 1.00 88.69 86 A 1 ATOM 704 O O . LEU A 1 86 ? 8.905 -0.767 -3.319 1.00 88.06 86 A 1 ATOM 705 C CB . LEU A 1 86 ? 10.716 1.664 -2.808 1.00 89.13 86 A 1 ATOM 706 C CG . LEU A 1 86 ? 9.957 2.831 -3.482 1.00 83.05 86 A 1 ATOM 707 C CD1 . LEU A 1 86 ? 9.556 3.924 -2.487 1.00 79.53 86 A 1 ATOM 708 C CD2 . LEU A 1 86 ? 10.858 3.473 -4.540 1.00 81.31 86 A 1 ATOM 709 N N . TYR A 1 87 ? 7.487 0.541 -2.153 1.00 89.77 87 A 1 ATOM 710 C CA . TYR A 1 87 ? 6.245 0.038 -2.709 1.00 87.31 87 A 1 ATOM 711 C C . TYR A 1 87 ? 5.564 1.167 -3.475 1.00 86.48 87 A 1 ATOM 712 O O . TYR A 1 87 ? 5.411 2.268 -2.957 1.00 85.16 87 A 1 ATOM 713 C CB . TYR A 1 87 ? 5.388 -0.535 -1.571 1.00 85.53 87 A 1 ATOM 714 C CG . TYR A 1 87 ? 4.079 -1.158 -2.008 1.00 80.63 87 A 1 ATOM 715 C CD1 . TYR A 1 87 ? 2.864 -0.722 -1.443 1.00 74.30 87 A 1 ATOM 716 C CD2 . TYR A 1 87 ? 4.068 -2.185 -2.975 1.00 74.11 87 A 1 ATOM 717 C CE1 . TYR A 1 87 ? 1.651 -1.310 -1.840 1.00 69.70 87 A 1 ATOM 718 C CE2 . TYR A 1 87 ? 2.856 -2.764 -3.387 1.00 69.77 87 A 1 ATOM 719 C CZ . TYR A 1 87 ? 1.643 -2.328 -2.819 1.00 71.49 87 A 1 ATOM 720 O OH . TYR A 1 87 ? 0.470 -2.874 -3.224 1.00 70.19 87 A 1 ATOM 721 N N . ARG A 1 88 ? 5.208 0.902 -4.727 1.00 84.94 88 A 1 ATOM 722 C CA . ARG A 1 88 ? 4.555 1.875 -5.614 1.00 82.26 88 A 1 ATOM 723 C C . ARG A 1 88 ? 3.170 1.367 -6.007 1.00 80.08 88 A 1 ATOM 724 O O . ARG A 1 88 ? 3.009 0.895 -7.134 1.00 76.43 88 A 1 ATOM 725 C CB . ARG A 1 88 ? 5.434 2.174 -6.835 1.00 81.84 88 A 1 ATOM 726 C CG . ARG A 1 88 ? 6.774 2.831 -6.459 1.00 79.07 88 A 1 ATOM 727 C CD . ARG A 1 88 ? 7.514 3.239 -7.737 1.00 75.38 88 A 1 ATOM 728 N NE . ARG A 1 88 ? 8.811 3.869 -7.435 1.00 70.81 88 A 1 ATOM 729 C CZ . ARG A 1 88 ? 9.559 4.565 -8.273 1.00 63.54 88 A 1 ATOM 730 N NH1 . ARG A 1 88 ? 9.202 4.757 -9.513 1.00 59.09 88 A 1 ATOM 731 N NH2 . ARG A 1 88 ? 10.682 5.081 -7.875 1.00 57.90 88 A 1 ATOM 732 N N . PRO A 1 89 ? 2.199 1.377 -5.085 1.00 81.44 89 A 1 ATOM 733 C CA . PRO A 1 89 ? 0.836 1.017 -5.430 1.00 77.61 89 A 1 ATOM 734 C C . PRO A 1 89 ? 0.241 2.105 -6.327 1.00 75.69 89 A 1 ATOM 735 O O . PRO A 1 89 ? 0.477 3.299 -6.136 1.00 70.83 89 A 1 ATOM 736 C CB . PRO A 1 89 ? 0.111 0.911 -4.099 1.00 75.95 89 A 1 ATOM 737 C CG . PRO A 1 89 ? 0.833 1.940 -3.233 1.00 76.83 89 A 1 ATOM 738 C CD . PRO A 1 89 ? 2.275 1.887 -3.728 1.00 80.67 89 A 1 ATOM 739 N N . THR A 1 90 ? -0.556 1.694 -7.297 1.00 69.43 90 A 1 ATOM 740 C CA . THR A 1 90 ? -1.443 2.609 -8.005 1.00 67.04 90 A 1 ATOM 741 C C . THR A 1 90 ? -2.746 2.705 -7.217 1.00 67.32 90 A 1 ATOM 742 O O . THR A 1 90 ? -3.671 1.939 -7.459 1.00 62.82 90 A 1 ATOM 743 C CB . THR A 1 90 ? -1.682 2.148 -9.453 1.00 62.38 90 A 1 ATOM 744 O OG1 . THR A 1 90 ? -1.947 0.768 -9.511 1.00 57.03 90 A 1 ATOM 745 C CG2 . THR A 1 90 ? -0.446 2.407 -10.321 1.00 55.62 90 A 1 ATOM 746 N N . PHE A 1 91 ? -2.824 3.649 -6.265 1.00 67.81 91 A 1 ATOM 747 C CA . PHE A 1 91 ? -4.093 4.030 -5.660 1.00 67.28 91 A 1 ATOM 748 C C . PHE A 1 91 ? -4.884 4.858 -6.675 1.00 64.51 91 A 1 ATOM 749 O O . PHE A 1 91 ? -4.968 6.077 -6.581 1.00 61.50 91 A 1 ATOM 750 C CB . PHE A 1 91 ? -3.872 4.757 -4.329 1.00 69.32 91 A 1 ATOM 751 C CG . PHE A 1 91 ? -3.187 3.921 -3.272 1.00 73.09 91 A 1 ATOM 752 C CD1 . PHE A 1 91 ? -3.809 2.758 -2.777 1.00 69.49 91 A 1 ATOM 753 C CD2 . PHE A 1 91 ? -1.936 4.306 -2.771 1.00 73.19 91 A 1 ATOM 754 C CE1 . PHE A 1 91 ? -3.166 1.969 -1.810 1.00 70.58 91 A 1 ATOM 755 C CE2 . PHE A 1 91 ? -1.295 3.521 -1.799 1.00 72.27 91 A 1 ATOM 756 C CZ . PHE A 1 91 ? -1.903 2.351 -1.321 1.00 75.58 91 A 1 ATOM 757 N N . GLN A 1 92 ? -5.394 4.192 -7.719 1.00 57.81 92 A 1 ATOM 758 C CA . GLN A 1 92 ? -6.330 4.802 -8.649 1.00 57.53 92 A 1 ATOM 759 C C . GLN A 1 92 ? -7.726 4.658 -8.057 1.00 58.19 92 A 1 ATOM 760 O O . GLN A 1 92 ? -8.216 3.549 -7.853 1.00 54.67 92 A 1 ATOM 761 C CB . GLN A 1 92 ? -6.233 4.191 -10.050 1.00 53.85 92 A 1 ATOM 762 C CG . GLN A 1 92 ? -4.966 4.665 -10.778 1.00 48.99 92 A 1 ATOM 763 C CD . GLN A 1 92 ? -4.927 4.260 -12.253 1.00 44.70 92 A 1 ATOM 764 O OE1 . GLN A 1 92 ? -5.722 3.479 -12.754 1.00 42.69 92 A 1 ATOM 765 N NE2 . GLN A 1 92 ? -4.006 4.780 -13.011 1.00 41.46 92 A 1 ATOM 766 N N . THR A 1 93 ? -8.344 5.790 -7.794 1.00 51.64 93 A 1 ATOM 767 C CA . THR A 1 93 ? -9.568 5.919 -6.983 1.00 50.93 93 A 1 ATOM 768 C C . THR A 1 93 ? -10.831 5.358 -7.637 1.00 51.14 93 A 1 ATOM 769 O O . THR A 1 93 ? -11.880 5.348 -7.010 1.00 48.43 93 A 1 ATOM 770 C CB . THR A 1 93 ? -9.789 7.390 -6.617 1.00 47.29 93 A 1 ATOM 771 O OG1 . THR A 1 93 ? -8.570 8.114 -6.624 1.00 43.32 93 A 1 ATOM 772 C CG2 . THR A 1 93 ? -10.380 7.541 -5.216 1.00 42.11 93 A 1 ATOM 773 N N . LYS A 1 94 ? -10.770 4.897 -8.883 1.00 48.65 94 A 1 ATOM 774 C CA . LYS A 1 94 ? -11.981 4.373 -9.523 1.00 48.95 94 A 1 ATOM 775 C C . LYS A 1 94 ? -11.673 3.560 -10.781 1.00 49.30 94 A 1 ATOM 776 O O . LYS A 1 94 ? -11.555 4.113 -11.872 1.00 47.53 94 A 1 ATOM 777 C CB . LYS A 1 94 ? -12.951 5.537 -9.816 1.00 45.91 94 A 1 ATOM 778 C CG . LYS A 1 94 ? -14.359 5.240 -9.303 1.00 41.63 94 A 1 ATOM 779 C CD . LYS A 1 94 ? -15.221 6.507 -9.316 1.00 38.76 94 A 1 ATOM 780 C CE . LYS A 1 94 ? -16.587 6.204 -8.713 1.00 36.05 94 A 1 ATOM 781 N NZ . LYS A 1 94 ? -17.416 7.424 -8.621 1.00 32.83 94 A 1 ATOM 782 N N . CYS A 1 95 ? -11.653 2.248 -10.660 1.00 47.71 95 A 1 ATOM 783 C CA . CYS A 1 95 ? -12.025 1.389 -11.780 1.00 48.58 95 A 1 ATOM 784 C C . CYS A 1 95 ? -13.540 1.160 -11.660 1.00 49.82 95 A 1 ATOM 785 O O . CYS A 1 95 ? -13.985 0.356 -10.849 1.00 48.95 95 A 1 ATOM 786 C CB . CYS A 1 95 ? -11.181 0.108 -11.767 1.00 46.88 95 A 1 ATOM 787 S SG . CYS A 1 95 ? -11.435 -0.794 -13.322 1.00 41.61 95 A 1 ATOM 788 N N . VAL A 1 96 ? -14.342 1.929 -12.414 1.00 47.20 96 A 1 ATOM 789 C CA . VAL A 1 96 ? -15.778 1.669 -12.521 1.00 48.46 96 A 1 ATOM 790 C C . VAL A 1 96 ? -15.956 0.597 -13.579 1.00 49.98 96 A 1 ATOM 791 O O . VAL A 1 96 ? -15.837 0.868 -14.767 1.00 48.56 96 A 1 ATOM 792 C CB . VAL A 1 96 ? -16.605 2.924 -12.853 1.00 45.37 96 A 1 ATOM 793 C CG1 . VAL A 1 96 ? -18.112 2.601 -12.879 1.00 39.91 96 A 1 ATOM 794 C CG2 . VAL A 1 96 ? -16.399 4.025 -11.811 1.00 39.35 96 A 1 ATOM 795 N N . MET A 1 97 ? -16.234 -0.627 -13.145 1.00 54.90 97 A 1 ATOM 796 C CA . MET A 1 97 ? -16.721 -1.659 -14.046 1.00 57.18 97 A 1 ATOM 797 C C . MET A 1 97 ? -18.247 -1.622 -14.012 1.00 57.89 97 A 1 ATOM 798 O O . MET A 1 97 ? -18.858 -1.891 -12.976 1.00 57.76 97 A 1 ATOM 799 C CB . MET A 1 97 ? -16.157 -3.031 -13.685 1.00 55.88 97 A 1 ATOM 800 C CG . MET A 1 97 ? -14.665 -3.121 -14.015 1.00 52.30 97 A 1 ATOM 801 S SD . MET A 1 97 ? -13.916 -4.752 -13.738 1.00 48.10 97 A 1 ATOM 802 C CE . MET A 1 97 ? -14.734 -5.740 -15.018 1.00 46.78 97 A 1 ATOM 803 N N . THR A 1 98 ? -18.846 -1.276 -15.140 1.00 55.98 98 A 1 ATOM 804 C CA . THR A 1 98 ? -20.283 -1.439 -15.337 1.00 56.73 98 A 1 ATOM 805 C C . THR A 1 98 ? -20.539 -2.892 -15.712 1.00 57.44 98 A 1 ATOM 806 O O . THR A 1 98 ? -20.068 -3.348 -16.748 1.00 55.66 98 A 1 ATOM 807 C CB . THR A 1 98 ? -20.800 -0.496 -16.433 1.00 53.43 98 A 1 ATOM 808 O OG1 . THR A 1 98 ? -20.451 0.838 -16.111 1.00 47.91 98 A 1 ATOM 809 C CG2 . THR A 1 98 ? -22.314 -0.536 -16.562 1.00 46.12 98 A 1 ATOM 810 N N . LEU A 1 99 ? -21.241 -3.609 -14.849 1.00 62.11 99 A 1 ATOM 811 C CA . LEU A 1 99 ? -21.577 -5.014 -15.041 1.00 62.75 99 A 1 ATOM 812 C C . LEU A 1 99 ? -23.095 -5.144 -15.164 1.00 63.13 99 A 1 ATOM 813 O O . LEU A 1 99 ? -23.832 -4.420 -14.499 1.00 61.62 99 A 1 ATOM 814 C CB . LEU A 1 99 ? -21.019 -5.839 -13.869 1.00 60.34 99 A 1 ATOM 815 C CG . LEU A 1 99 ? -19.485 -5.818 -13.774 1.00 57.56 99 A 1 ATOM 816 C CD1 . LEU A 1 99 ? -19.049 -6.485 -12.475 1.00 54.82 99 A 1 ATOM 817 C CD2 . LEU A 1 99 ? -18.802 -6.559 -14.932 1.00 54.56 99 A 1 ATOM 818 N N . GLY A 1 100 ? -23.537 -6.047 -16.015 1.00 62.10 100 A 1 ATOM 819 C CA . GLY A 1 100 ? -24.955 -6.367 -16.092 1.00 62.65 100 A 1 ATOM 820 C C . GLY A 1 100 ? -25.456 -7.005 -14.796 1.00 64.25 100 A 1 ATOM 821 O O . GLY A 1 100 ? -24.698 -7.646 -14.072 1.00 61.76 100 A 1 ATOM 822 N N . GLU A 1 101 ? -26.737 -6.865 -14.510 1.00 62.56 101 A 1 ATOM 823 C CA . GLU A 1 101 ? -27.358 -7.381 -13.276 1.00 64.14 101 A 1 ATOM 824 C C . GLU A 1 101 ? -27.148 -8.897 -13.065 1.00 65.32 101 A 1 ATOM 825 O O . GLU A 1 101 ? -27.111 -9.386 -11.936 1.00 62.89 101 A 1 ATOM 826 C CB . GLU A 1 101 ? -28.858 -7.031 -13.341 1.00 61.42 101 A 1 ATOM 827 C CG . GLU A 1 101 ? -29.580 -7.183 -11.996 1.00 54.76 101 A 1 ATOM 828 C CD . GLU A 1 101 ? -31.071 -6.817 -12.054 1.00 49.80 101 A 1 ATOM 829 O OE1 . GLU A 1 101 ? -31.687 -6.804 -10.967 1.00 46.80 101 A 1 ATOM 830 O OE2 . GLU A 1 101 ? -31.601 -6.612 -13.171 1.00 47.32 101 A 1 ATOM 831 N N . ALA A 1 102 ? -26.953 -9.649 -14.170 1.00 65.74 102 A 1 ATOM 832 C CA . ALA A 1 102 ? -26.694 -11.082 -14.156 1.00 67.36 102 A 1 ATOM 833 C C . ALA A 1 102 ? -25.207 -11.465 -13.990 1.00 69.03 102 A 1 ATOM 834 O O . ALA A 1 102 ? -24.909 -12.646 -13.772 1.00 65.05 102 A 1 ATOM 835 C CB . ALA A 1 102 ? -27.293 -11.679 -15.433 1.00 64.93 102 A 1 ATOM 836 N N . ASP A 1 103 ? -24.277 -10.509 -14.101 1.00 70.58 103 A 1 ATOM 837 C CA . ASP A 1 103 ? -22.845 -10.795 -14.089 1.00 71.22 103 A 1 ATOM 838 C C . ASP A 1 103 ? -22.358 -11.079 -12.665 1.00 72.94 103 A 1 ATOM 839 O O . ASP A 1 103 ? -22.271 -10.209 -11.804 1.00 71.19 103 A 1 ATOM 840 C CB . ASP A 1 103 ? -22.039 -9.662 -14.750 1.00 68.35 103 A 1 ATOM 841 C CG . ASP A 1 103 ? -22.304 -9.530 -16.255 1.00 62.93 103 A 1 ATOM 842 O OD1 . ASP A 1 103 ? -22.571 -10.571 -16.898 1.00 57.70 103 A 1 ATOM 843 O OD2 . ASP A 1 103 ? -22.198 -8.391 -16.758 1.00 57.29 103 A 1 ATOM 844 N N . LYS A 1 104 ? -22.002 -12.344 -12.424 1.00 74.72 104 A 1 ATOM 845 C CA . LYS A 1 104 ? -21.467 -12.805 -11.131 1.00 75.67 104 A 1 ATOM 846 C C . LYS A 1 104 ? -19.972 -13.137 -11.175 1.00 77.79 104 A 1 ATOM 847 O O . LYS A 1 104 ? -19.355 -13.293 -10.127 1.00 75.60 104 A 1 ATOM 848 C CB . LYS A 1 104 ? -22.267 -14.018 -10.647 1.00 73.02 104 A 1 ATOM 849 C CG . LYS A 1 104 ? -23.726 -13.637 -10.379 1.00 67.76 104 A 1 ATOM 850 C CD . LYS A 1 104 ? -24.520 -14.823 -9.830 1.00 63.91 104 A 1 ATOM 851 C CE . LYS A 1 104 ? -25.966 -14.378 -9.640 1.00 58.54 104 A 1 ATOM 852 N NZ . LYS A 1 104 ? -26.812 -15.479 -9.118 1.00 51.82 104 A 1 ATOM 853 N N . TYR A 1 105 ? -19.422 -13.271 -12.377 1.00 78.57 105 A 1 ATOM 854 C CA . TYR A 1 105 ? -18.060 -13.720 -12.609 1.00 78.63 105 A 1 ATOM 855 C C . TYR A 1 105 ? -17.406 -12.923 -13.740 1.00 78.02 105 A 1 ATOM 856 O O . TYR A 1 105 ? -18.069 -12.501 -14.680 1.00 76.27 105 A 1 ATOM 857 C CB . TYR A 1 105 ? -18.032 -15.218 -12.940 1.00 78.12 105 A 1 ATOM 858 C CG . TYR A 1 105 ? -18.681 -16.103 -11.890 1.00 75.19 105 A 1 ATOM 859 C CD1 . TYR A 1 105 ? -17.927 -16.546 -10.783 1.00 70.13 105 A 1 ATOM 860 C CD2 . TYR A 1 105 ? -20.036 -16.452 -12.006 1.00 69.86 105 A 1 ATOM 861 C CE1 . TYR A 1 105 ? -18.537 -17.332 -9.785 1.00 64.41 105 A 1 ATOM 862 C CE2 . TYR A 1 105 ? -20.651 -17.236 -11.012 1.00 65.57 105 A 1 ATOM 863 C CZ . TYR A 1 105 ? -19.899 -17.667 -9.899 1.00 66.24 105 A 1 ATOM 864 O OH . TYR A 1 105 ? -20.492 -18.412 -8.922 1.00 65.04 105 A 1 ATOM 865 N N . VAL A 1 106 ? -16.094 -12.796 -13.672 1.00 79.51 106 A 1 ATOM 866 C CA . VAL A 1 106 ? -15.256 -12.278 -14.747 1.00 78.19 106 A 1 ATOM 867 C C . VAL A 1 106 ? -14.199 -13.318 -15.110 1.00 79.48 106 A 1 ATOM 868 O O . VAL A 1 106 ? -13.777 -14.106 -14.268 1.00 79.07 106 A 1 ATOM 869 C CB . VAL A 1 106 ? -14.596 -10.938 -14.376 1.00 75.53 106 A 1 ATOM 870 C CG1 . VAL A 1 106 ? -15.646 -9.834 -14.186 1.00 69.13 106 A 1 ATOM 871 C CG2 . VAL A 1 106 ? -13.742 -11.043 -13.112 1.00 68.85 106 A 1 ATOM 872 N N . ILE A 1 107 ? -13.755 -13.321 -16.365 1.00 74.66 107 A 1 ATOM 873 C CA . ILE A 1 107 ? -12.678 -14.216 -16.809 1.00 74.10 107 A 1 ATOM 874 C C . ILE A 1 107 ? -11.358 -13.442 -16.779 1.00 72.38 107 A 1 ATOM 875 O O . ILE A 1 107 ? -11.165 -12.507 -17.556 1.00 71.06 107 A 1 ATOM 876 C CB . ILE A 1 107 ? -12.974 -14.831 -18.188 1.00 74.92 107 A 1 ATOM 877 C CG1 . ILE A 1 107 ? -14.323 -15.589 -18.234 1.00 74.34 107 A 1 ATOM 878 C CG2 . ILE A 1 107 ? -11.829 -15.759 -18.623 1.00 73.92 107 A 1 ATOM 879 C CD1 . ILE A 1 107 ? -14.457 -16.756 -17.251 1.00 68.93 107 A 1 ATOM 880 N N . VAL A 1 108 ? -10.431 -13.868 -15.925 1.00 74.50 108 A 1 ATOM 881 C CA . VAL A 1 108 ? -9.078 -13.311 -15.841 1.00 73.76 108 A 1 ATOM 882 C C . VAL A 1 108 ? -8.073 -14.427 -16.096 1.00 75.02 108 A 1 ATOM 883 O O . VAL A 1 108 ? -8.042 -15.440 -15.397 1.00 72.98 108 A 1 ATOM 884 C CB . VAL A 1 108 ? -8.827 -12.621 -14.488 1.00 71.46 108 A 1 ATOM 885 C CG1 . VAL A 1 108 ? -7.428 -11.992 -14.439 1.00 68.35 108 A 1 ATOM 886 C CG2 . VAL A 1 108 ? -9.850 -11.502 -14.240 1.00 68.95 108 A 1 ATOM 887 N N . GLY A 1 109 ? -7.247 -14.278 -17.155 1.00 76.04 109 A 1 ATOM 888 C CA . GLY A 1 109 ? -6.262 -15.299 -17.528 1.00 77.10 109 A 1 ATOM 889 C C . GLY A 1 109 ? -6.873 -16.681 -17.814 1.00 80.28 109 A 1 ATOM 890 O O . GLY A 1 109 ? -6.259 -17.695 -17.503 1.00 76.40 109 A 1 ATOM 891 N N . GLY A 1 110 ? -8.095 -16.717 -18.344 1.00 78.24 110 A 1 ATOM 892 C CA . GLY A 1 110 ? -8.821 -17.953 -18.641 1.00 80.23 110 A 1 ATOM 893 C C . GLY A 1 110 ? -9.495 -18.627 -17.429 1.00 82.63 110 A 1 ATOM 894 O O . GLY A 1 110 ? -10.078 -19.690 -17.587 1.00 78.94 110 A 1 ATOM 895 N N . LYS A 1 111 ? -9.428 -18.026 -16.242 1.00 81.79 111 A 1 ATOM 896 C CA . LYS A 1 111 ? -10.069 -18.542 -15.020 1.00 80.61 111 A 1 ATOM 897 C C . LYS A 1 111 ? -11.265 -17.672 -14.630 1.00 81.14 111 A 1 ATOM 898 O O . LYS A 1 111 ? -11.130 -16.447 -14.634 1.00 80.38 111 A 1 ATOM 899 C CB . LYS A 1 111 ? -9.055 -18.616 -13.878 1.00 78.59 111 A 1 ATOM 900 C CG . LYS A 1 111 ? -7.949 -19.636 -14.169 1.00 72.27 111 A 1 ATOM 901 C CD . LYS A 1 111 ? -6.988 -19.726 -12.981 1.00 68.35 111 A 1 ATOM 902 C CE . LYS A 1 111 ? -5.880 -20.738 -13.285 1.00 62.89 111 A 1 ATOM 903 N NZ . LYS A 1 111 ? -4.937 -20.852 -12.156 1.00 55.43 111 A 1 ATOM 904 N N . PRO A 1 112 ? -12.415 -18.271 -14.280 1.00 82.68 112 A 1 ATOM 905 C CA . PRO A 1 112 ? -13.523 -17.520 -13.704 1.00 82.93 112 A 1 ATOM 906 C C . PRO A 1 112 ? -13.164 -17.078 -12.282 1.00 83.62 112 A 1 ATOM 907 O O . PRO A 1 112 ? -12.700 -17.883 -11.476 1.00 82.15 112 A 1 ATOM 908 C CB . PRO A 1 112 ? -14.717 -18.470 -13.729 1.00 81.34 112 A 1 ATOM 909 C CG . PRO A 1 112 ? -14.075 -19.849 -13.609 1.00 78.42 112 A 1 ATOM 910 C CD . PRO A 1 112 ? -12.724 -19.690 -14.310 1.00 81.18 112 A 1 ATOM 911 N N . LEU A 1 113 ? -13.382 -15.801 -11.991 1.00 82.74 113 A 1 ATOM 912 C CA . LEU A 1 113 ? -13.313 -15.214 -10.659 1.00 81.71 113 A 1 ATOM 913 C C . LEU A 1 113 ? -14.671 -14.597 -10.339 1.00 82.29 113 A 1 ATOM 914 O O . LEU A 1 113 ? -15.250 -13.920 -11.191 1.00 81.37 113 A 1 ATOM 915 C CB . LEU A 1 113 ? -12.205 -14.149 -10.594 1.00 80.67 113 A 1 ATOM 916 C CG . LEU A 1 113 ? -10.775 -14.696 -10.734 1.00 76.44 113 A 1 ATOM 917 C CD1 . LEU A 1 113 ? -9.793 -13.525 -10.809 1.00 71.45 113 A 1 ATOM 918 C CD2 . LEU A 1 113 ? -10.372 -15.566 -9.544 1.00 71.16 113 A 1 ATOM 919 N N . SER A 1 114 ? -15.169 -14.802 -9.132 1.00 83.87 114 A 1 ATOM 920 C CA . SER A 1 114 ? -16.307 -14.033 -8.637 1.00 83.75 114 A 1 ATOM 921 C C . SER A 1 114 ? -15.932 -12.558 -8.489 1.00 84.09 114 A 1 ATOM 922 O O . SER A 1 114 ? -14.753 -12.206 -8.362 1.00 84.03 114 A 1 ATOM 923 C CB . SER A 1 114 ? -16.825 -14.601 -7.313 1.00 83.34 114 A 1 ATOM 924 O OG . SER A 1 114 ? -15.834 -14.490 -6.317 1.00 79.35 114 A 1 ATOM 925 N N . LEU A 1 115 ? -16.928 -11.680 -8.482 1.00 82.91 115 A 1 ATOM 926 C CA . LEU A 1 115 ? -16.696 -10.252 -8.275 1.00 82.41 115 A 1 ATOM 927 C C . LEU A 1 115 ? -16.042 -9.961 -6.923 1.00 83.27 115 A 1 ATOM 928 O O . LEU A 1 115 ? -15.132 -9.139 -6.848 1.00 82.63 115 A 1 ATOM 929 C CB . LEU A 1 115 ? -18.022 -9.486 -8.427 1.00 80.93 115 A 1 ATOM 930 C CG . LEU A 1 115 ? -18.674 -9.614 -9.815 1.00 78.05 115 A 1 ATOM 931 C CD1 . LEU A 1 115 ? -19.913 -8.720 -9.866 1.00 75.20 115 A 1 ATOM 932 C CD2 . LEU A 1 115 ? -17.718 -9.235 -10.940 1.00 74.17 115 A 1 ATOM 933 N N . ASP A 1 116 ? -16.420 -10.697 -5.886 1.00 83.24 116 A 1 ATOM 934 C CA . ASP A 1 116 ? -15.834 -10.569 -4.548 1.00 82.70 116 A 1 ATOM 935 C C . ASP A 1 116 ? -14.363 -11.003 -4.532 1.00 83.62 116 A 1 ATOM 936 O O . ASP A 1 116 ? -13.509 -10.324 -3.959 1.00 83.22 116 A 1 ATOM 937 C CB . ASP A 1 116 ? -16.645 -11.417 -3.547 1.00 81.31 116 A 1 ATOM 938 C CG . ASP A 1 116 ? -18.094 -10.968 -3.377 1.00 77.57 116 A 1 ATOM 939 O OD1 . ASP A 1 116 ? -18.408 -9.804 -3.683 1.00 72.69 116 A 1 ATOM 940 O OD2 . ASP A 1 116 ? -18.904 -11.827 -2.955 1.00 71.71 116 A 1 ATOM 941 N N . GLU A 1 117 ? -14.024 -12.105 -5.221 1.00 85.19 117 A 1 ATOM 942 C CA . GLU A 1 117 ? -12.635 -12.555 -5.360 1.00 85.44 117 A 1 ATOM 943 C C . GLU A 1 117 ? -11.793 -11.566 -6.174 1.00 85.20 117 A 1 ATOM 944 O O . GLU A 1 117 ? -10.631 -11.304 -5.819 1.00 84.68 117 A 1 ATOM 945 C CB . GLU A 1 117 ? -12.579 -13.922 -6.054 1.00 85.96 117 A 1 ATOM 946 C CG . GLU A 1 117 ? -13.006 -15.071 -5.136 1.00 81.80 117 A 1 ATOM 947 C CD . GLU A 1 117 ? -13.248 -16.360 -5.937 1.00 79.29 117 A 1 ATOM 948 O OE1 . GLU A 1 117 ? -12.838 -17.436 -5.453 1.00 72.60 117 A 1 ATOM 949 O OE2 . GLU A 1 117 ? -13.861 -16.257 -7.029 1.00 73.56 117 A 1 ATOM 950 N N . LEU A 1 118 ? -12.359 -10.991 -7.243 1.00 83.83 118 A 1 ATOM 951 C CA . LEU A 1 118 ? -11.699 -9.962 -8.025 1.00 82.00 118 A 1 ATOM 952 C C . LEU A 1 118 ? -11.438 -8.721 -7.168 1.00 81.33 118 A 1 ATOM 953 O O . LEU A 1 118 ? -10.307 -8.233 -7.123 1.00 80.63 118 A 1 ATOM 954 C CB . LEU A 1 118 ? -12.544 -9.624 -9.270 1.00 81.53 118 A 1 ATOM 955 C CG . LEU A 1 118 ? -11.909 -8.537 -10.157 1.00 78.61 118 A 1 ATOM 956 C CD1 . LEU A 1 118 ? -10.577 -8.990 -10.761 1.00 76.58 118 A 1 ATOM 957 C CD2 . LEU A 1 118 ? -12.844 -8.152 -11.297 1.00 75.45 118 A 1 ATOM 958 N N . GLN A 1 119 ? -12.458 -8.241 -6.452 1.00 81.51 119 A 1 ATOM 959 C CA . GLN A 1 119 ? -12.341 -7.087 -5.565 1.00 79.31 119 A 1 ATOM 960 C C . GLN A 1 119 ? -11.286 -7.321 -4.480 1.00 78.47 119 A 1 ATOM 961 O O . GLN A 1 119 ? -10.403 -6.492 -4.295 1.00 77.12 119 A 1 ATOM 962 C CB . GLN A 1 119 ? -13.721 -6.778 -4.964 1.00 77.73 119 A 1 ATOM 963 C CG . GLN A 1 119 ? -13.708 -5.483 -4.130 1.00 72.74 119 A 1 ATOM 964 C CD . GLN A 1 119 ? -15.093 -5.096 -3.616 1.00 70.51 119 A 1 ATOM 965 O OE1 . GLN A 1 119 ? -16.095 -5.723 -3.894 1.00 65.93 119 A 1 ATOM 966 N NE2 . GLN A 1 119 ? -15.196 -4.025 -2.853 1.00 63.16 119 A 1 ATOM 967 N N . ALA A 1 120 ? -11.307 -8.482 -3.826 1.00 82.43 120 A 1 ATOM 968 C CA . ALA A 1 120 ? -10.325 -8.834 -2.808 1.00 81.86 120 A 1 ATOM 969 C C . ALA A 1 120 ? -8.896 -8.947 -3.378 1.00 81.29 120 A 1 ATOM 970 O O . ALA A 1 120 ? -7.925 -8.572 -2.713 1.00 79.68 120 A 1 ATOM 971 C CB . ALA A 1 120 ? -10.755 -10.160 -2.161 1.00 81.74 120 A 1 ATOM 972 N N . THR A 1 121 ? -8.749 -9.458 -4.603 1.00 80.62 121 A 1 ATOM 973 C CA . THR A 1 121 ? -7.444 -9.577 -5.275 1.00 78.83 121 A 1 ATOM 974 C C . THR A 1 121 ? -6.889 -8.211 -5.655 1.00 77.78 121 A 1 ATOM 975 O O . THR A 1 121 ? -5.716 -7.939 -5.397 1.00 76.18 121 A 1 ATOM 976 C CB . THR A 1 121 ? -7.549 -10.480 -6.513 1.00 78.92 121 A 1 ATOM 977 O OG1 . THR A 1 121 ? -7.945 -11.763 -6.099 1.00 76.54 121 A 1 ATOM 978 C CG2 . THR A 1 121 ? -6.207 -10.646 -7.235 1.00 74.89 121 A 1 ATOM 979 N N . LEU A 1 122 ? -7.728 -7.328 -6.206 1.00 78.50 122 A 1 ATOM 980 C CA . LEU A 1 122 ? -7.340 -5.975 -6.577 1.00 77.43 122 A 1 ATOM 981 C C . LEU A 1 122 ? -7.048 -5.111 -5.342 1.00 76.35 122 A 1 ATOM 982 O O . LEU A 1 122 ? -6.029 -4.420 -5.318 1.00 74.90 122 A 1 ATOM 983 C CB . LEU A 1 122 ? -8.441 -5.373 -7.464 1.00 77.72 122 A 1 ATOM 984 C CG . LEU A 1 122 ? -8.543 -6.030 -8.856 1.00 77.09 122 A 1 ATOM 985 C CD1 . LEU A 1 122 ? -9.779 -5.523 -9.580 1.00 75.99 122 A 1 ATOM 986 C CD2 . LEU A 1 122 ? -7.326 -5.719 -9.734 1.00 75.61 122 A 1 ATOM 987 N N . ALA A 1 123 ? -7.838 -5.238 -4.284 1.00 77.61 123 A 1 ATOM 988 C CA . ALA A 1 123 ? -7.605 -4.547 -3.019 1.00 75.11 123 A 1 ATOM 989 C C . ALA A 1 123 ? -6.240 -4.907 -2.405 1.00 74.27 123 A 1 ATOM 990 O O . ALA A 1 123 ? -5.512 -4.028 -1.946 1.00 71.99 123 A 1 ATOM 991 C CB . ALA A 1 123 ? -8.754 -4.863 -2.054 1.00 73.16 123 A 1 ATOM 992 N N . LYS A 1 124 ? -5.815 -6.179 -2.481 1.00 73.80 124 A 1 ATOM 993 C CA . LYS A 1 124 ? -4.462 -6.602 -2.041 1.00 73.13 124 A 1 ATOM 994 C C . LYS A 1 124 ? -3.333 -5.944 -2.839 1.00 72.06 124 A 1 ATOM 995 O O . LYS A 1 124 ? -2.205 -5.861 -2.344 1.00 70.15 124 A 1 ATOM 996 C CB . LYS A 1 124 ? -4.332 -8.127 -2.149 1.00 73.49 124 A 1 ATOM 997 C CG . LYS A 1 124 ? -5.105 -8.851 -1.041 1.00 71.08 124 A 1 ATOM 998 C CD . LYS A 1 124 ? -5.097 -10.363 -1.312 1.00 69.25 124 A 1 ATOM 999 C CE . LYS A 1 124 ? -5.949 -11.071 -0.261 1.00 64.83 124 A 1 ATOM 1000 N NZ . LYS A 1 124 ? -6.045 -12.534 -0.528 1.00 60.47 124 A 1 ATOM 1001 N N . GLN A 1 125 ? -3.618 -5.503 -4.060 1.00 70.67 125 A 1 ATOM 1002 C CA . GLN A 1 125 ? -2.682 -4.782 -4.927 1.00 69.57 125 A 1 ATOM 1003 C C . GLN A 1 125 ? -2.792 -3.254 -4.771 1.00 68.73 125 A 1 ATOM 1004 O O . GLN A 1 125 ? -2.092 -2.526 -5.464 1.00 65.27 125 A 1 ATOM 1005 C CB . GLN A 1 125 ? -2.892 -5.225 -6.379 1.00 69.55 125 A 1 ATOM 1006 C CG . GLN A 1 125 ? -2.613 -6.722 -6.574 1.00 67.80 125 A 1 ATOM 1007 C CD . GLN A 1 125 ? -2.829 -7.189 -8.016 1.00 65.31 125 A 1 ATOM 1008 O OE1 . GLN A 1 125 ? -3.051 -6.425 -8.939 1.00 62.63 125 A 1 ATOM 1009 N NE2 . GLN A 1 125 ? -2.762 -8.476 -8.264 1.00 59.77 125 A 1 ATOM 1010 N N . GLY A 1 126 ? -3.642 -2.769 -3.859 1.00 71.21 126 A 1 ATOM 1011 C CA . GLY A 1 126 ? -3.896 -1.341 -3.662 1.00 68.73 126 A 1 ATOM 1012 C C . GLY A 1 126 ? -4.845 -0.726 -4.692 1.00 69.25 126 A 1 ATOM 1013 O O . GLY A 1 126 ? -4.844 0.489 -4.865 1.00 66.67 126 A 1 ATOM 1014 N N . VAL A 1 127 ? -5.631 -1.554 -5.398 1.00 69.01 127 A 1 ATOM 1015 C CA . VAL A 1 127 ? -6.638 -1.100 -6.365 1.00 69.64 127 A 1 ATOM 1016 C C . VAL A 1 127 ? -8.022 -1.330 -5.774 1.00 70.90 127 A 1 ATOM 1017 O O . VAL A 1 127 ? -8.455 -2.468 -5.608 1.00 70.73 127 A 1 ATOM 1018 C CB . VAL A 1 127 ? -6.487 -1.823 -7.715 1.00 68.24 127 A 1 ATOM 1019 C CG1 . VAL A 1 127 ? -7.500 -1.293 -8.736 1.00 65.15 127 A 1 ATOM 1020 C CG2 . VAL A 1 127 ? -5.080 -1.644 -8.304 1.00 65.16 127 A 1 ATOM 1021 N N . ILE A 1 128 ? -8.732 -0.240 -5.455 1.00 68.85 128 A 1 ATOM 1022 C CA . ILE A 1 128 ? -10.101 -0.308 -4.937 1.00 68.21 128 A 1 ATOM 1023 C C . ILE A 1 128 ? -11.080 -0.216 -6.111 1.00 68.59 128 A 1 ATOM 1024 O O . ILE A 1 128 ? -11.056 0.739 -6.883 1.00 67.14 128 A 1 ATOM 1025 C CB . ILE A 1 128 ? -10.344 0.755 -3.851 1.00 66.28 128 A 1 ATOM 1026 C CG1 . ILE A 1 128 ? -9.310 0.670 -2.705 1.00 62.14 128 A 1 ATOM 1027 C CG2 . ILE A 1 128 ? -11.773 0.628 -3.294 1.00 59.40 128 A 1 ATOM 1028 C CD1 . ILE A 1 128 ? -9.206 -0.691 -1.999 1.00 56.12 128 A 1 ATOM 1029 N N . VAL A 1 129 ? -11.915 -1.231 -6.250 1.00 71.16 129 A 1 ATOM 1030 C CA . VAL A 1 129 ? -12.913 -1.323 -7.319 1.00 71.65 129 A 1 ATOM 1031 C C . VAL A 1 129 ? -14.308 -1.225 -6.732 1.00 72.07 129 A 1 ATOM 1032 O O . VAL A 1 129 ? -14.650 -1.958 -5.804 1.00 72.24 129 A 1 ATOM 1033 C CB . VAL A 1 129 ? -12.752 -2.600 -8.154 1.00 70.73 129 A 1 ATOM 1034 C CG1 . VAL A 1 129 ? -13.752 -2.657 -9.315 1.00 67.02 129 A 1 ATOM 1035 C CG2 . VAL A 1 129 ? -11.345 -2.663 -8.763 1.00 66.21 129 A 1 ATOM 1036 N N . THR A 1 130 ? -15.119 -0.356 -7.327 1.00 69.63 130 A 1 ATOM 1037 C CA . THR A 1 130 ? -16.554 -0.297 -7.050 1.00 68.73 130 A 1 ATOM 1038 C C . THR A 1 130 ? -17.304 -0.816 -8.268 1.00 69.49 130 A 1 ATOM 1039 O O . THR A 1 130 ? -17.165 -0.272 -9.372 1.00 67.90 130 A 1 ATOM 1040 C CB . THR A 1 130 ? -17.009 1.129 -6.703 1.00 65.69 130 A 1 ATOM 1041 O OG1 . THR A 1 130 ? -16.228 1.632 -5.648 1.00 59.38 130 A 1 ATOM 1042 C CG2 . THR A 1 130 ? -18.463 1.168 -6.227 1.00 56.33 130 A 1 ATOM 1043 N N . PHE A 1 131 ? -18.091 -1.864 -8.090 1.00 68.34 131 A 1 ATOM 1044 C CA . PHE A 1 131 ? -18.949 -2.388 -9.144 1.00 68.37 131 A 1 ATOM 1045 C C . PHE A 1 131 ? -20.251 -1.591 -9.193 1.00 66.33 131 A 1 ATOM 1046 O O . PHE A 1 131 ? -21.038 -1.606 -8.245 1.00 64.39 131 A 1 ATOM 1047 C CB . PHE A 1 131 ? -19.170 -3.891 -8.942 1.00 69.25 131 A 1 ATOM 1048 C CG . PHE A 1 131 ? -17.873 -4.690 -8.949 1.00 72.12 131 A 1 ATOM 1049 C CD1 . PHE A 1 131 ? -17.082 -4.739 -10.109 1.00 69.56 131 A 1 ATOM 1050 C CD2 . PHE A 1 131 ? -17.451 -5.362 -7.792 1.00 70.47 131 A 1 ATOM 1051 C CE1 . PHE A 1 131 ? -15.864 -5.450 -10.110 1.00 68.45 131 A 1 ATOM 1052 C CE2 . PHE A 1 131 ? -16.236 -6.079 -7.799 1.00 68.88 131 A 1 ATOM 1053 C CZ . PHE A 1 131 ? -15.446 -6.123 -8.957 1.00 69.89 131 A 1 ATOM 1054 N N . GLY A 1 132 ? -20.471 -0.884 -10.305 1.00 63.01 132 A 1 ATOM 1055 C CA . GLY A 1 132 ? -21.763 -0.291 -10.613 1.00 61.34 132 A 1 ATOM 1056 C C . GLY A 1 132 ? -22.690 -1.380 -11.140 1.00 60.90 132 A 1 ATOM 1057 O O . GLY A 1 132 ? -22.383 -1.982 -12.163 1.00 57.44 132 A 1 ATOM 1058 N N . ARG A 1 133 ? -23.800 -1.627 -10.452 1.00 53.57 133 A 1 ATOM 1059 C CA . ARG A 1 133 ? -24.883 -2.460 -10.980 1.00 53.13 133 A 1 ATOM 1060 C C . ARG A 1 133 ? -25.797 -1.573 -11.819 1.00 49.53 133 A 1 ATOM 1061 O O . ARG A 1 133 ? -26.223 -0.540 -11.317 1.00 46.24 133 A 1 ATOM 1062 C CB . ARG A 1 133 ? -25.652 -3.162 -9.846 1.00 51.20 133 A 1 ATOM 1063 C CG . ARG A 1 133 ? -24.766 -4.153 -9.089 1.00 47.94 133 A 1 ATOM 1064 C CD . ARG A 1 133 ? -25.568 -4.876 -8.009 1.00 45.88 133 A 1 ATOM 1065 N NE . ARG A 1 133 ? -24.730 -5.819 -7.257 1.00 44.42 133 A 1 ATOM 1066 C CZ . ARG A 1 133 ? -25.128 -6.587 -6.251 1.00 40.94 133 A 1 ATOM 1067 N NH1 . ARG A 1 133 ? -26.352 -6.563 -5.811 1.00 39.39 133 A 1 ATOM 1068 N NH2 . ARG A 1 133 ? -24.278 -7.392 -5.668 1.00 39.22 133 A 1 ATOM 1069 N N . VAL A 1 134 ? -26.020 -1.957 -13.073 1.00 48.19 134 A 1 ATOM 1070 C CA . VAL A 1 134 ? -27.015 -1.338 -13.957 1.00 46.61 134 A 1 ATOM 1071 C C . VAL A 1 134 ? -28.250 -2.221 -13.979 1.00 42.28 134 A 1 ATOM 1072 O O . VAL A 1 134 ? -28.070 -3.458 -14.043 1.00 37.23 134 A 1 ATOM 1073 C CB . VAL A 1 134 ? -26.483 -1.102 -15.382 1.00 41.71 134 A 1 ATOM 1074 C CG1 . VAL A 1 134 ? -27.465 -0.234 -16.183 1.00 37.14 134 A 1 ATOM 1075 C CG2 . VAL A 1 134 ? -25.144 -0.362 -15.360 1.00 38.97 134 A 1 ATOM 1076 O OXT . VAL A 1 134 ? -29.349 -1.622 -13.927 1.00 39.01 134 A 1 #