# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_55af82f79d12dcac # _entry.id 55af82f79d12dcac # 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 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 LEU 2 1 n GLU 3 1 n ASP 4 1 n ARG 5 1 n SER 6 1 n SER 7 1 n LEU 8 1 n PHE 9 1 n LYS 10 1 n ILE 11 1 n GLU 12 1 n TRP 13 1 n TYR 14 1 n ALA 15 1 n SER 16 1 n LEU 17 1 n ASP 18 1 n GLY 19 1 n ILE 20 1 n MET 21 1 n CYS 22 1 n PHE 23 1 n ASN 24 1 n ALA 25 1 n TYR 26 1 n ASP 27 1 n ALA 28 1 n GLU 29 1 n HIS 30 1 n ASN 31 1 n TRP 32 1 n VAL 33 1 n HIS 34 1 n LEU 35 1 n GLY 36 1 n LYS 37 1 n VAL 38 1 n ILE 39 1 n VAL 40 1 n ASP 41 1 n VAL 42 1 n LYS 43 1 n ASN 44 1 n VAL 45 1 n GLU 46 1 n TYR 47 1 n GLU 48 1 n ARG 49 1 n TYR 50 1 n LYS 51 1 n HIS 52 1 n LEU 53 1 n CYS 54 1 n ASN 55 1 n GLY 56 1 n ASN 57 1 n LYS 58 1 n LEU 59 1 n ALA 60 1 n LYS 61 1 n ILE 62 1 n VAL 63 1 n ARG 64 1 n VAL 65 1 n GLU 66 1 n THR 67 1 n ASP 68 1 n SER 69 1 n GLU 70 1 n TYR 71 1 n CYS 72 1 n GLY 73 1 n TRP 74 1 n GLY 75 1 n VAL 76 1 n ALA 77 1 n THR 78 1 n GLU 79 1 n LEU 80 1 n LEU 81 1 n LYS 82 1 n GLU 83 1 n VAL 84 1 n ILE 85 1 n ARG 86 1 n ILE 87 1 n TYR 88 1 n LYS 89 1 n ASP 90 1 n PHE 91 1 n ASN 92 1 n LEU 93 1 n TYR 94 1 n LEU 95 1 n LEU 96 1 n CYS 97 1 n HIS 98 1 n PRO 99 1 n MET 100 1 n PRO 101 1 n ARG 102 1 n GLY 103 1 n HIS 104 1 n TYR 105 1 n ASP 106 1 n GLU 107 1 n SER 108 1 n HIS 109 1 n LYS 110 1 n THR 111 1 n VAL 112 1 n LYS 113 1 n ASP 114 1 n LEU 115 1 n ARG 116 1 n ARG 117 1 n PHE 118 1 n TYR 119 1 n GLY 120 1 n LYS 121 1 n LEU 122 1 n GLY 123 1 n PHE 124 1 n VAL 125 1 n PRO 126 1 n CYS 127 1 n GLY 128 1 n GLU 129 1 n LEU 130 1 n LEU 131 1 n PRO 132 1 n THR 133 1 n MET 134 1 n ILE 135 1 n ARG 136 1 n LYS 137 1 n ALA 138 1 n PRO 139 1 n LEU 140 1 n PRO 141 1 n THR 142 1 n LEU 143 1 n GLY 144 1 n GLU 145 # _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 @ 2025-05-02 08:15:31)" _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 85.85 _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 LEU . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n CYS . 22 A 22 A 23 1 n PHE . 23 A 23 A 24 1 n ASN . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n TYR . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n HIS . 30 A 30 A 31 1 n ASN . 31 A 31 A 32 1 n TRP . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n HIS . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n VAL . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n ASN . 44 A 44 A 45 1 n VAL . 45 A 45 A 46 1 n GLU . 46 A 46 A 47 1 n TYR . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n LYS . 51 A 51 A 52 1 n HIS . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n CYS . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n ASN . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n VAL . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n THR . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n SER . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n CYS . 72 A 72 A 73 1 n GLY . 73 A 73 A 74 1 n TRP . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n VAL . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n THR . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n ILE . 85 A 85 A 86 1 n ARG . 86 A 86 A 87 1 n ILE . 87 A 87 A 88 1 n TYR . 88 A 88 A 89 1 n LYS . 89 A 89 A 90 1 n ASP . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n ASN . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n TYR . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n CYS . 97 A 97 A 98 1 n HIS . 98 A 98 A 99 1 n PRO . 99 A 99 A 100 1 n MET . 100 A 100 A 101 1 n PRO . 101 A 101 A 102 1 n ARG . 102 A 102 A 103 1 n GLY . 103 A 103 A 104 1 n HIS . 104 A 104 A 105 1 n TYR . 105 A 105 A 106 1 n ASP . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n SER . 108 A 108 A 109 1 n HIS . 109 A 109 A 110 1 n LYS . 110 A 110 A 111 1 n THR . 111 A 111 A 112 1 n VAL . 112 A 112 A 113 1 n LYS . 113 A 113 A 114 1 n ASP . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n ARG . 116 A 116 A 117 1 n ARG . 117 A 117 A 118 1 n PHE . 118 A 118 A 119 1 n TYR . 119 A 119 A 120 1 n GLY . 120 A 120 A 121 1 n LYS . 121 A 121 A 122 1 n LEU . 122 A 122 A 123 1 n GLY . 123 A 123 A 124 1 n PHE . 124 A 124 A 125 1 n VAL . 125 A 125 A 126 1 n PRO . 126 A 126 A 127 1 n CYS . 127 A 127 A 128 1 n GLY . 128 A 128 A 129 1 n GLU . 129 A 129 A 130 1 n LEU . 130 A 130 A 131 1 n LEU . 131 A 131 A 132 1 n PRO . 132 A 132 A 133 1 n THR . 133 A 133 A 134 1 n MET . 134 A 134 A 135 1 n ILE . 135 A 135 A 136 1 n ARG . 136 A 136 A 137 1 n LYS . 137 A 137 A 138 1 n ALA . 138 A 138 A 139 1 n PRO . 139 A 139 A 140 1 n LEU . 140 A 140 A 141 1 n PRO . 141 A 141 A 142 1 n THR . 142 A 142 A 143 1 n LEU . 143 A 143 A 144 1 n GLY . 144 A 144 A 145 1 n GLU . 145 A 145 # _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 @ 2025-05-02 08:15:31)" # _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 ? 1.701 -23.681 -7.651 1.00 41.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.206 -22.479 -6.950 1.00 49.65 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.398 -21.409 -8.005 1.00 51.90 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.932 -21.747 -9.055 1.00 52.62 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.529 -22.759 -6.222 1.00 48.29 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.295 -23.503 -4.910 1.00 40.95 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.775 -23.767 -3.901 1.00 38.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.569 -25.124 -4.787 1.00 30.84 1 A 1 ATOM 9 N N . LEU A 1 2 ? 1.903 -20.198 -7.796 1.00 53.34 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 2.234 -19.077 -8.677 1.00 56.37 2 A 1 ATOM 11 C C . LEU A 1 2 ? 3.723 -18.769 -8.484 1.00 57.17 2 A 1 ATOM 12 O O . LEU A 1 2 ? 4.190 -18.739 -7.351 1.00 55.26 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 1.345 -17.869 -8.340 1.00 54.56 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -0.115 -18.042 -8.814 1.00 50.30 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -1.053 -17.125 -8.042 1.00 45.75 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -0.264 -17.735 -10.303 1.00 48.97 2 A 1 ATOM 17 N N . GLU A 1 3 ? 4.461 -18.626 -9.581 1.00 56.00 3 A 1 ATOM 18 C CA . GLU A 1 3 ? 5.878 -18.272 -9.548 1.00 61.00 3 A 1 ATOM 19 C C . GLU A 1 3 ? 6.049 -16.889 -8.906 1.00 62.70 3 A 1 ATOM 20 O O . GLU A 1 3 ? 5.255 -15.983 -9.157 1.00 60.36 3 A 1 ATOM 21 C CB . GLU A 1 3 ? 6.455 -18.274 -10.968 1.00 59.06 3 A 1 ATOM 22 C CG . GLU A 1 3 ? 6.554 -19.697 -11.551 1.00 52.21 3 A 1 ATOM 23 C CD . GLU A 1 3 ? 7.003 -19.710 -13.028 1.00 47.85 3 A 1 ATOM 24 O OE1 . GLU A 1 3 ? 7.524 -20.769 -13.437 1.00 44.60 3 A 1 ATOM 25 O OE2 . GLU A 1 3 ? 6.735 -18.708 -13.728 1.00 47.10 3 A 1 ATOM 26 N N . ASP A 1 4 ? 7.073 -16.735 -8.065 1.00 61.13 4 A 1 ATOM 27 C CA . ASP A 1 4 ? 7.447 -15.431 -7.527 1.00 64.41 4 A 1 ATOM 28 C C . ASP A 1 4 ? 8.115 -14.612 -8.642 1.00 65.12 4 A 1 ATOM 29 O O . ASP A 1 4 ? 9.229 -14.911 -9.063 1.00 61.98 4 A 1 ATOM 30 C CB . ASP A 1 4 ? 8.353 -15.585 -6.302 1.00 61.78 4 A 1 ATOM 31 C CG . ASP A 1 4 ? 8.680 -14.248 -5.620 1.00 56.27 4 A 1 ATOM 32 O OD1 . ASP A 1 4 ? 8.237 -13.186 -6.111 1.00 56.14 4 A 1 ATOM 33 O OD2 . ASP A 1 4 ? 9.334 -14.285 -4.559 1.00 55.17 4 A 1 ATOM 34 N N . ARG A 1 5 ? 7.401 -13.607 -9.137 1.00 69.37 5 A 1 ATOM 35 C CA . ARG A 1 5 ? 7.851 -12.707 -10.209 1.00 69.79 5 A 1 ATOM 36 C C . ARG A 1 5 ? 8.278 -11.340 -9.696 1.00 70.54 5 A 1 ATOM 37 O O . ARG A 1 5 ? 8.438 -10.409 -10.480 1.00 67.17 5 A 1 ATOM 38 C CB . ARG A 1 5 ? 6.764 -12.599 -11.287 1.00 67.16 5 A 1 ATOM 39 C CG . ARG A 1 5 ? 6.507 -13.947 -11.970 1.00 66.18 5 A 1 ATOM 40 C CD . ARG A 1 5 ? 5.565 -13.762 -13.149 1.00 63.59 5 A 1 ATOM 41 N NE . ARG A 1 5 ? 5.344 -15.032 -13.848 1.00 59.72 5 A 1 ATOM 42 C CZ . ARG A 1 5 ? 5.067 -15.197 -15.134 1.00 54.98 5 A 1 ATOM 43 N NH1 . ARG A 1 5 ? 4.869 -14.181 -15.937 1.00 51.85 5 A 1 ATOM 44 N NH2 . ARG A 1 5 ? 4.996 -16.399 -15.619 1.00 48.80 5 A 1 ATOM 45 N N . SER A 1 6 ? 8.468 -11.183 -8.388 1.00 69.08 6 A 1 ATOM 46 C CA . SER A 1 6 ? 8.796 -9.891 -7.773 1.00 69.26 6 A 1 ATOM 47 C C . SER A 1 6 ? 10.077 -9.254 -8.327 1.00 70.92 6 A 1 ATOM 48 O O . SER A 1 6 ? 10.155 -8.035 -8.428 1.00 68.80 6 A 1 ATOM 49 C CB . SER A 1 6 ? 8.896 -10.038 -6.254 1.00 67.40 6 A 1 ATOM 50 O OG . SER A 1 6 ? 9.863 -10.994 -5.880 1.00 62.10 6 A 1 ATOM 51 N N . SER A 1 7 ? 11.054 -10.059 -8.758 1.00 73.54 7 A 1 ATOM 52 C CA . SER A 1 7 ? 12.291 -9.597 -9.393 1.00 74.18 7 A 1 ATOM 53 C C . SER A 1 7 ? 12.107 -9.040 -10.812 1.00 75.83 7 A 1 ATOM 54 O O . SER A 1 7 ? 13.029 -8.410 -11.331 1.00 72.09 7 A 1 ATOM 55 C CB . SER A 1 7 ? 13.312 -10.738 -9.434 1.00 69.65 7 A 1 ATOM 56 O OG . SER A 1 7 ? 12.764 -11.874 -10.085 1.00 63.63 7 A 1 ATOM 57 N N . LEU A 1 8 ? 10.953 -9.270 -11.445 1.00 78.20 8 A 1 ATOM 58 C CA . LEU A 1 8 ? 10.655 -8.838 -12.810 1.00 77.77 8 A 1 ATOM 59 C C . LEU A 1 8 ? 9.912 -7.501 -12.858 1.00 81.06 8 A 1 ATOM 60 O O . LEU A 1 8 ? 9.617 -6.993 -13.939 1.00 78.82 8 A 1 ATOM 61 C CB . LEU A 1 8 ? 9.849 -9.938 -13.525 1.00 72.70 8 A 1 ATOM 62 C CG . LEU A 1 8 ? 10.484 -11.340 -13.506 1.00 65.30 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? 9.591 -12.319 -14.266 1.00 62.43 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? 11.875 -11.348 -14.128 1.00 61.32 8 A 1 ATOM 65 N N . PHE A 1 9 ? 9.578 -6.912 -11.703 1.00 83.95 9 A 1 ATOM 66 C CA . PHE A 1 9 ? 8.806 -5.680 -11.664 1.00 84.73 9 A 1 ATOM 67 C C . PHE A 1 9 ? 9.716 -4.464 -11.700 1.00 86.69 9 A 1 ATOM 68 O O . PHE A 1 9 ? 10.604 -4.299 -10.865 1.00 84.94 9 A 1 ATOM 69 C CB . PHE A 1 9 ? 7.883 -5.643 -10.445 1.00 81.53 9 A 1 ATOM 70 C CG . PHE A 1 9 ? 6.921 -6.818 -10.317 1.00 83.65 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? 6.483 -7.538 -11.435 1.00 77.06 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? 6.476 -7.194 -9.037 1.00 78.43 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? 5.638 -8.642 -11.285 1.00 74.04 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? 5.623 -8.285 -8.886 1.00 74.91 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? 5.204 -9.025 -10.009 1.00 74.44 9 A 1 ATOM 76 N N . LYS A 1 10 ? 9.420 -3.532 -12.604 1.00 90.66 10 A 1 ATOM 77 C CA . LYS A 1 10 ? 9.936 -2.171 -12.538 1.00 90.99 10 A 1 ATOM 78 C C . LYS A 1 10 ? 8.885 -1.285 -11.884 1.00 92.75 10 A 1 ATOM 79 O O . LYS A 1 10 ? 7.758 -1.207 -12.362 1.00 92.10 10 A 1 ATOM 80 C CB . LYS A 1 10 ? 10.343 -1.688 -13.927 1.00 88.36 10 A 1 ATOM 81 C CG . LYS A 1 10 ? 11.076 -0.350 -13.788 1.00 76.46 10 A 1 ATOM 82 C CD . LYS A 1 10 ? 11.588 0.163 -15.138 1.00 72.07 10 A 1 ATOM 83 C CE . LYS A 1 10 ? 12.314 1.483 -14.888 1.00 62.88 10 A 1 ATOM 84 N NZ . LYS A 1 10 ? 12.557 2.243 -16.127 1.00 55.35 10 A 1 ATOM 85 N N . ILE A 1 11 ? 9.252 -0.607 -10.794 1.00 90.23 11 A 1 ATOM 86 C CA . ILE A 1 11 ? 8.371 0.350 -10.117 1.00 90.91 11 A 1 ATOM 87 C C . ILE A 1 11 ? 8.867 1.762 -10.412 1.00 90.61 11 A 1 ATOM 88 O O . ILE A 1 11 ? 10.019 2.096 -10.153 1.00 89.68 11 A 1 ATOM 89 C CB . ILE A 1 11 ? 8.239 0.039 -8.617 1.00 91.38 11 A 1 ATOM 90 C CG1 . ILE A 1 11 ? 7.651 -1.379 -8.421 1.00 90.83 11 A 1 ATOM 91 C CG2 . ILE A 1 11 ? 7.345 1.099 -7.945 1.00 90.19 11 A 1 ATOM 92 C CD1 . ILE A 1 11 ? 7.571 -1.843 -6.961 1.00 87.98 11 A 1 ATOM 93 N N . GLU A 1 12 ? 7.977 2.598 -10.929 1.00 90.76 12 A 1 ATOM 94 C CA . GLU A 1 12 ? 8.205 4.023 -11.150 1.00 90.47 12 A 1 ATOM 95 C C . GLU A 1 12 ? 7.191 4.826 -10.345 1.00 90.97 12 A 1 ATOM 96 O O . GLU A 1 12 ? 6.052 4.411 -10.157 1.00 91.00 12 A 1 ATOM 97 C CB . GLU A 1 12 ? 8.112 4.373 -12.640 1.00 88.90 12 A 1 ATOM 98 C CG . GLU A 1 12 ? 9.203 3.673 -13.458 1.00 81.51 12 A 1 ATOM 99 C CD . GLU A 1 12 ? 9.238 4.124 -14.930 1.00 77.98 12 A 1 ATOM 100 O OE1 . GLU A 1 12 ? 10.278 3.836 -15.572 1.00 69.47 12 A 1 ATOM 101 O OE2 . GLU A 1 12 ? 8.258 4.729 -15.401 1.00 70.92 12 A 1 ATOM 102 N N . TRP A 1 13 ? 7.605 6.019 -9.874 1.00 93.21 13 A 1 ATOM 103 C CA . TRP A 1 13 ? 6.697 6.903 -9.160 1.00 91.82 13 A 1 ATOM 104 C C . TRP A 1 13 ? 6.900 8.354 -9.553 1.00 91.06 13 A 1 ATOM 105 O O . TRP A 1 13 ? 7.998 8.784 -9.907 1.00 88.98 13 A 1 ATOM 106 C CB . TRP A 1 13 ? 6.805 6.694 -7.640 1.00 90.12 13 A 1 ATOM 107 C CG . TRP A 1 13 ? 8.147 6.994 -7.064 1.00 88.93 13 A 1 ATOM 108 C CD1 . TRP A 1 13 ? 8.563 8.194 -6.601 1.00 82.58 13 A 1 ATOM 109 C CD2 . TRP A 1 13 ? 9.290 6.091 -6.922 1.00 87.47 13 A 1 ATOM 110 N NE1 . TRP A 1 13 ? 9.875 8.100 -6.190 1.00 76.47 13 A 1 ATOM 111 C CE2 . TRP A 1 13 ? 10.383 6.829 -6.372 1.00 83.16 13 A 1 ATOM 112 C CE3 . TRP A 1 13 ? 9.502 4.734 -7.214 1.00 76.50 13 A 1 ATOM 113 C CZ2 . TRP A 1 13 ? 11.637 6.242 -6.142 1.00 78.97 13 A 1 ATOM 114 C CZ3 . TRP A 1 13 ? 10.763 4.134 -6.984 1.00 73.54 13 A 1 ATOM 115 C CH2 . TRP A 1 13 ? 11.825 4.884 -6.454 1.00 73.44 13 A 1 ATOM 116 N N . TYR A 1 14 ? 5.821 9.122 -9.456 1.00 91.99 14 A 1 ATOM 117 C CA . TYR A 1 14 ? 5.824 10.564 -9.661 1.00 91.32 14 A 1 ATOM 118 C C . TYR A 1 14 ? 4.921 11.246 -8.637 1.00 92.50 14 A 1 ATOM 119 O O . TYR A 1 14 ? 3.938 10.671 -8.163 1.00 91.13 14 A 1 ATOM 120 C CB . TYR A 1 14 ? 5.430 10.901 -11.107 1.00 87.76 14 A 1 ATOM 121 C CG . TYR A 1 14 ? 4.057 10.406 -11.518 1.00 78.03 14 A 1 ATOM 122 C CD1 . TYR A 1 14 ? 3.906 9.143 -12.126 1.00 71.50 14 A 1 ATOM 123 C CD2 . TYR A 1 14 ? 2.926 11.213 -11.304 1.00 70.61 14 A 1 ATOM 124 C CE1 . TYR A 1 14 ? 2.639 8.684 -12.506 1.00 59.17 14 A 1 ATOM 125 C CE2 . TYR A 1 14 ? 1.652 10.758 -11.678 1.00 61.24 14 A 1 ATOM 126 C CZ . TYR A 1 14 ? 1.505 9.493 -12.288 1.00 56.26 14 A 1 ATOM 127 O OH . TYR A 1 14 ? 0.275 9.047 -12.648 1.00 53.85 14 A 1 ATOM 128 N N . ALA A 1 15 ? 5.286 12.495 -8.295 1.00 89.97 15 A 1 ATOM 129 C CA . ALA A 1 15 ? 4.484 13.370 -7.462 1.00 89.08 15 A 1 ATOM 130 C C . ALA A 1 15 ? 3.617 14.266 -8.340 1.00 87.86 15 A 1 ATOM 131 O O . ALA A 1 15 ? 4.099 14.836 -9.318 1.00 85.26 15 A 1 ATOM 132 C CB . ALA A 1 15 ? 5.408 14.190 -6.552 1.00 87.08 15 A 1 ATOM 133 N N . SER A 1 16 ? 2.355 14.446 -7.979 1.00 87.87 16 A 1 ATOM 134 C CA . SER A 1 16 ? 1.521 15.533 -8.498 1.00 86.02 16 A 1 ATOM 135 C C . SER A 1 16 ? 1.722 16.808 -7.666 1.00 85.10 16 A 1 ATOM 136 O O . SER A 1 16 ? 2.219 16.780 -6.538 1.00 82.63 16 A 1 ATOM 137 C CB . SER A 1 16 ? 0.055 15.103 -8.550 1.00 82.24 16 A 1 ATOM 138 O OG . SER A 1 16 ? -0.440 14.948 -7.252 1.00 74.39 16 A 1 ATOM 139 N N . LEU A 1 17 ? 1.329 17.955 -8.236 1.00 80.32 17 A 1 ATOM 140 C CA . LEU A 1 17 ? 1.474 19.272 -7.594 1.00 79.51 17 A 1 ATOM 141 C C . LEU A 1 17 ? 0.679 19.410 -6.286 1.00 79.26 17 A 1 ATOM 142 O O . LEU A 1 17 ? 0.971 20.279 -5.469 1.00 76.23 17 A 1 ATOM 143 C CB . LEU A 1 17 ? 1.029 20.356 -8.597 1.00 78.85 17 A 1 ATOM 144 C CG . LEU A 1 17 ? 1.923 20.498 -9.839 1.00 71.80 17 A 1 ATOM 145 C CD1 . LEU A 1 17 ? 1.291 21.493 -10.814 1.00 67.98 17 A 1 ATOM 146 C CD2 . LEU A 1 17 ? 3.322 20.993 -9.481 1.00 71.49 17 A 1 ATOM 147 N N . ASP A 1 18 ? -0.315 18.566 -6.058 1.00 86.43 18 A 1 ATOM 148 C CA . ASP A 1 18 ? -1.209 18.588 -4.903 1.00 86.37 18 A 1 ATOM 149 C C . ASP A 1 18 ? -0.828 17.596 -3.790 1.00 87.34 18 A 1 ATOM 150 O O . ASP A 1 18 ? -1.616 17.343 -2.889 1.00 82.06 18 A 1 ATOM 151 C CB . ASP A 1 18 ? -2.653 18.411 -5.390 1.00 81.52 18 A 1 ATOM 152 C CG . ASP A 1 18 ? -2.953 17.007 -5.922 1.00 73.20 18 A 1 ATOM 153 O OD1 . ASP A 1 18 ? -2.054 16.407 -6.541 1.00 67.80 18 A 1 ATOM 154 O OD2 . ASP A 1 18 ? -4.086 16.548 -5.693 1.00 68.01 18 A 1 ATOM 155 N N . GLY A 1 19 ? 0.398 17.059 -3.818 1.00 85.65 19 A 1 ATOM 156 C CA . GLY A 1 19 ? 0.913 16.175 -2.760 1.00 86.23 19 A 1 ATOM 157 C C . GLY A 1 19 ? 0.408 14.733 -2.845 1.00 89.59 19 A 1 ATOM 158 O O . GLY A 1 19 ? 0.471 14.008 -1.851 1.00 86.36 19 A 1 ATOM 159 N N . ILE A 1 20 ? -0.082 14.321 -4.010 1.00 92.73 20 A 1 ATOM 160 C CA . ILE A 1 20 ? -0.410 12.927 -4.295 1.00 94.17 20 A 1 ATOM 161 C C . ILE A 1 20 ? 0.781 12.253 -4.979 1.00 95.11 20 A 1 ATOM 162 O O . ILE A 1 20 ? 1.355 12.781 -5.932 1.00 93.49 20 A 1 ATOM 163 C CB . ILE A 1 20 ? -1.710 12.820 -5.116 1.00 92.39 20 A 1 ATOM 164 C CG1 . ILE A 1 20 ? -2.889 13.374 -4.286 1.00 89.24 20 A 1 ATOM 165 C CG2 . ILE A 1 20 ? -1.972 11.370 -5.554 1.00 89.11 20 A 1 ATOM 166 C CD1 . ILE A 1 20 ? -4.244 13.370 -5.012 1.00 80.41 20 A 1 ATOM 167 N N . MET A 1 21 ? 1.154 11.072 -4.513 1.00 96.11 21 A 1 ATOM 168 C CA . MET A 1 21 ? 2.175 10.226 -5.130 1.00 96.09 21 A 1 ATOM 169 C C . MET A 1 21 ? 1.514 9.036 -5.801 1.00 96.56 21 A 1 ATOM 170 O O . MET A 1 21 ? 0.693 8.345 -5.186 1.00 95.97 21 A 1 ATOM 171 C CB . MET A 1 21 ? 3.164 9.754 -4.075 1.00 94.57 21 A 1 ATOM 172 C CG . MET A 1 21 ? 4.019 10.889 -3.518 1.00 83.38 21 A 1 ATOM 173 S SD . MET A 1 21 ? 5.276 11.563 -4.633 1.00 78.92 21 A 1 ATOM 174 C CE . MET A 1 21 ? 6.372 10.134 -4.847 1.00 67.11 21 A 1 ATOM 175 N N . CYS A 1 22 ? 1.909 8.759 -7.038 1.00 96.45 22 A 1 ATOM 176 C CA . CYS A 1 22 ? 1.468 7.582 -7.781 1.00 96.21 22 A 1 ATOM 177 C C . CYS A 1 22 ? 2.652 6.650 -8.035 1.00 96.17 22 A 1 ATOM 178 O O . CYS A 1 22 ? 3.656 7.076 -8.597 1.00 94.76 22 A 1 ATOM 179 C CB . CYS A 1 22 ? 0.799 8.036 -9.079 1.00 94.70 22 A 1 ATOM 180 S SG . CYS A 1 22 ? -0.090 6.646 -9.828 1.00 83.10 22 A 1 ATOM 181 N N . PHE A 1 23 ? 2.527 5.406 -7.602 1.00 96.60 23 A 1 ATOM 182 C CA . PHE A 1 23 ? 3.486 4.325 -7.809 1.00 96.60 23 A 1 ATOM 183 C C . PHE A 1 23 ? 2.885 3.356 -8.823 1.00 96.52 23 A 1 ATOM 184 O O . PHE A 1 23 ? 1.784 2.871 -8.590 1.00 96.01 23 A 1 ATOM 185 C CB . PHE A 1 23 ? 3.754 3.596 -6.489 1.00 96.81 23 A 1 ATOM 186 C CG . PHE A 1 23 ? 4.415 4.431 -5.415 1.00 97.12 23 A 1 ATOM 187 C CD1 . PHE A 1 23 ? 5.779 4.247 -5.127 1.00 95.82 23 A 1 ATOM 188 C CD2 . PHE A 1 23 ? 3.680 5.394 -4.707 1.00 96.28 23 A 1 ATOM 189 C CE1 . PHE A 1 23 ? 6.412 5.032 -4.147 1.00 95.65 23 A 1 ATOM 190 C CE2 . PHE A 1 23 ? 4.312 6.194 -3.734 1.00 95.81 23 A 1 ATOM 191 C CZ . PHE A 1 23 ? 5.672 6.015 -3.466 1.00 96.47 23 A 1 ATOM 192 N N . ASN A 1 24 ? 3.592 3.075 -9.910 1.00 96.09 24 A 1 ATOM 193 C CA . ASN A 1 24 ? 3.148 2.166 -10.954 1.00 95.75 24 A 1 ATOM 194 C C . ASN A 1 24 ? 4.132 1.002 -11.075 1.00 95.78 24 A 1 ATOM 195 O O . ASN A 1 24 ? 5.339 1.219 -11.046 1.00 95.12 24 A 1 ATOM 196 C CB . ASN A 1 24 ? 3.024 2.918 -12.286 1.00 95.15 24 A 1 ATOM 197 C CG . ASN A 1 24 ? 2.016 4.039 -12.226 1.00 93.80 24 A 1 ATOM 198 O OD1 . ASN A 1 24 ? 0.813 3.847 -12.325 1.00 88.98 24 A 1 ATOM 199 N ND2 . ASN A 1 24 ? 2.471 5.247 -12.042 1.00 88.92 24 A 1 ATOM 200 N N . ALA A 1 25 ? 3.619 -0.216 -11.218 1.00 94.98 25 A 1 ATOM 201 C CA . ALA A 1 25 ? 4.406 -1.395 -11.521 1.00 94.71 25 A 1 ATOM 202 C C . ALA A 1 25 ? 4.236 -1.769 -12.995 1.00 94.52 25 A 1 ATOM 203 O O . ALA A 1 25 ? 3.115 -1.787 -13.510 1.00 94.09 25 A 1 ATOM 204 C CB . ALA A 1 25 ? 4.002 -2.550 -10.597 1.00 94.63 25 A 1 ATOM 205 N N . TYR A 1 26 ? 5.351 -2.126 -13.632 1.00 94.23 26 A 1 ATOM 206 C CA . TYR A 1 26 ? 5.423 -2.591 -15.013 1.00 93.64 26 A 1 ATOM 207 C C . TYR A 1 26 ? 6.170 -3.925 -15.071 1.00 93.01 26 A 1 ATOM 208 O O . TYR A 1 26 ? 7.089 -4.152 -14.284 1.00 91.57 26 A 1 ATOM 209 C CB . TYR A 1 26 ? 6.119 -1.541 -15.881 1.00 93.39 26 A 1 ATOM 210 C CG . TYR A 1 26 ? 5.447 -0.184 -15.865 1.00 93.48 26 A 1 ATOM 211 C CD1 . TYR A 1 26 ? 4.377 0.082 -16.733 1.00 91.33 26 A 1 ATOM 212 C CD2 . TYR A 1 26 ? 5.878 0.804 -14.952 1.00 92.00 26 A 1 ATOM 213 C CE1 . TYR A 1 26 ? 3.745 1.344 -16.719 1.00 90.82 26 A 1 ATOM 214 C CE2 . TYR A 1 26 ? 5.249 2.068 -14.937 1.00 91.37 26 A 1 ATOM 215 C CZ . TYR A 1 26 ? 4.181 2.341 -15.817 1.00 91.61 26 A 1 ATOM 216 O OH . TYR A 1 26 ? 3.579 3.558 -15.802 1.00 89.94 26 A 1 ATOM 217 N N . ASP A 1 27 ? 5.793 -4.769 -16.013 1.00 91.89 27 A 1 ATOM 218 C CA . ASP A 1 27 ? 6.575 -5.958 -16.354 1.00 89.93 27 A 1 ATOM 219 C C . ASP A 1 27 ? 7.841 -5.526 -17.097 1.00 89.06 27 A 1 ATOM 220 O O . ASP A 1 27 ? 7.782 -4.908 -18.163 1.00 87.20 27 A 1 ATOM 221 C CB . ASP A 1 27 ? 5.711 -6.924 -17.171 1.00 87.66 27 A 1 ATOM 222 C CG . ASP A 1 27 ? 6.341 -8.308 -17.322 1.00 83.85 27 A 1 ATOM 223 O OD1 . ASP A 1 27 ? 7.581 -8.379 -17.451 1.00 77.84 27 A 1 ATOM 224 O OD2 . ASP A 1 27 ? 5.581 -9.308 -17.325 1.00 77.14 27 A 1 ATOM 225 N N . ALA A 1 28 ? 9.013 -5.805 -16.520 1.00 87.40 28 A 1 ATOM 226 C CA . ALA A 1 28 ? 10.302 -5.425 -17.081 1.00 84.81 28 A 1 ATOM 227 C C . ALA A 1 28 ? 10.710 -6.274 -18.298 1.00 83.91 28 A 1 ATOM 228 O O . ALA A 1 28 ? 11.477 -5.803 -19.126 1.00 79.72 28 A 1 ATOM 229 C CB . ALA A 1 28 ? 11.351 -5.502 -15.962 1.00 82.25 28 A 1 ATOM 230 N N . GLU A 1 29 ? 10.196 -7.497 -18.410 1.00 84.03 29 A 1 ATOM 231 C CA . GLU A 1 29 ? 10.526 -8.419 -19.501 1.00 81.72 29 A 1 ATOM 232 C C . GLU A 1 29 ? 9.547 -8.314 -20.683 1.00 80.08 29 A 1 ATOM 233 O O . GLU A 1 29 ? 9.945 -8.500 -21.830 1.00 74.35 29 A 1 ATOM 234 C CB . GLU A 1 29 ? 10.594 -9.860 -18.969 1.00 78.79 29 A 1 ATOM 235 C CG . GLU A 1 29 ? 11.743 -10.065 -17.975 1.00 70.76 29 A 1 ATOM 236 C CD . GLU A 1 29 ? 11.988 -11.547 -17.611 1.00 66.84 29 A 1 ATOM 237 O OE1 . GLU A 1 29 ? 13.105 -11.835 -17.122 1.00 61.07 29 A 1 ATOM 238 O OE2 . GLU A 1 29 ? 11.082 -12.378 -17.831 1.00 60.75 29 A 1 ATOM 239 N N . HIS A 1 30 ? 8.279 -7.970 -20.423 1.00 77.79 30 A 1 ATOM 240 C CA . HIS A 1 30 ? 7.210 -7.988 -21.419 1.00 73.89 30 A 1 ATOM 241 C C . HIS A 1 30 ? 6.716 -6.586 -21.774 1.00 73.22 30 A 1 ATOM 242 O O . HIS A 1 30 ? 5.643 -6.158 -21.341 1.00 65.25 30 A 1 ATOM 243 C CB . HIS A 1 30 ? 6.078 -8.920 -20.971 1.00 69.23 30 A 1 ATOM 244 C CG . HIS A 1 30 ? 6.536 -10.346 -20.765 1.00 63.88 30 A 1 ATOM 245 N ND1 . HIS A 1 30 ? 7.051 -10.853 -19.606 1.00 58.08 30 A 1 ATOM 246 C CD2 . HIS A 1 30 ? 6.523 -11.353 -21.679 1.00 56.58 30 A 1 ATOM 247 C CE1 . HIS A 1 30 ? 7.354 -12.147 -19.820 1.00 54.04 30 A 1 ATOM 248 N NE2 . HIS A 1 30 ? 7.038 -12.506 -21.073 1.00 54.29 30 A 1 ATOM 249 N N . ASN A 1 31 ? 7.469 -5.869 -22.623 1.00 76.83 31 A 1 ATOM 250 C CA . ASN A 1 31 ? 7.035 -4.622 -23.272 1.00 74.21 31 A 1 ATOM 251 C C . ASN A 1 31 ? 6.479 -3.536 -22.333 1.00 75.94 31 A 1 ATOM 252 O O . ASN A 1 31 ? 5.646 -2.735 -22.760 1.00 70.57 31 A 1 ATOM 253 C CB . ASN A 1 31 ? 6.059 -4.946 -24.421 1.00 67.90 31 A 1 ATOM 254 C CG . ASN A 1 31 ? 6.689 -5.687 -25.580 1.00 59.99 31 A 1 ATOM 255 O OD1 . ASN A 1 31 ? 7.874 -5.615 -25.832 1.00 54.84 31 A 1 ATOM 256 N ND2 . ASN A 1 31 ? 5.901 -6.398 -26.351 1.00 53.82 31 A 1 ATOM 257 N N . TRP A 1 32 ? 6.932 -3.473 -21.068 1.00 81.95 32 A 1 ATOM 258 C CA . TRP A 1 32 ? 6.512 -2.427 -20.131 1.00 81.81 32 A 1 ATOM 259 C C . TRP A 1 32 ? 4.997 -2.380 -19.887 1.00 84.40 32 A 1 ATOM 260 O O . TRP A 1 32 ? 4.423 -1.319 -19.663 1.00 81.11 32 A 1 ATOM 261 C CB . TRP A 1 32 ? 7.085 -1.080 -20.569 1.00 77.24 32 A 1 ATOM 262 C CG . TRP A 1 32 ? 8.564 -1.051 -20.734 1.00 71.29 32 A 1 ATOM 263 C CD1 . TRP A 1 32 ? 9.265 -1.463 -21.818 1.00 65.49 32 A 1 ATOM 264 C CD2 . TRP A 1 32 ? 9.564 -0.631 -19.764 1.00 67.23 32 A 1 ATOM 265 N NE1 . TRP A 1 32 ? 10.619 -1.323 -21.589 1.00 58.72 32 A 1 ATOM 266 C CE2 . TRP A 1 32 ? 10.859 -0.796 -20.338 1.00 61.67 32 A 1 ATOM 267 C CE3 . TRP A 1 32 ? 9.486 -0.110 -18.462 1.00 56.19 32 A 1 ATOM 268 C CZ2 . TRP A 1 32 ? 12.030 -0.447 -19.662 1.00 57.40 32 A 1 ATOM 269 C CZ3 . TRP A 1 32 ? 10.656 0.249 -17.774 1.00 57.28 32 A 1 ATOM 270 C CH2 . TRP A 1 32 ? 11.924 0.087 -18.369 1.00 55.99 32 A 1 ATOM 271 N N . VAL A 1 33 ? 4.343 -3.543 -19.924 1.00 89.28 33 A 1 ATOM 272 C CA . VAL A 1 33 ? 2.912 -3.656 -19.626 1.00 90.48 33 A 1 ATOM 273 C C . VAL A 1 33 ? 2.653 -3.219 -18.187 1.00 91.99 33 A 1 ATOM 274 O O . VAL A 1 33 ? 3.330 -3.653 -17.257 1.00 91.34 33 A 1 ATOM 275 C CB . VAL A 1 33 ? 2.407 -5.083 -19.885 1.00 88.13 33 A 1 ATOM 276 C CG1 . VAL A 1 33 ? 0.953 -5.272 -19.435 1.00 82.23 33 A 1 ATOM 277 C CG2 . VAL A 1 33 ? 2.459 -5.395 -21.383 1.00 83.45 33 A 1 ATOM 278 N N . HIS A 1 34 ? 1.663 -2.339 -17.992 1.00 92.57 34 A 1 ATOM 279 C CA . HIS A 1 34 ? 1.254 -1.867 -16.676 1.00 93.24 34 A 1 ATOM 280 C C . HIS A 1 34 ? 0.529 -2.983 -15.909 1.00 93.01 34 A 1 ATOM 281 O O . HIS A 1 34 ? -0.453 -3.535 -16.387 1.00 92.28 34 A 1 ATOM 282 C CB . HIS A 1 34 ? 0.367 -0.631 -16.826 1.00 93.20 34 A 1 ATOM 283 C CG . HIS A 1 34 ? -0.101 -0.074 -15.505 1.00 93.10 34 A 1 ATOM 284 N ND1 . HIS A 1 34 ? -1.328 -0.322 -14.932 1.00 86.45 34 A 1 ATOM 285 C CD2 . HIS A 1 34 ? 0.592 0.744 -14.671 1.00 87.09 34 A 1 ATOM 286 C CE1 . HIS A 1 34 ? -1.378 0.354 -13.778 1.00 88.49 34 A 1 ATOM 287 N NE2 . HIS A 1 34 ? -0.227 1.019 -13.574 1.00 89.86 34 A 1 ATOM 288 N N . LEU A 1 35 ? 1.001 -3.281 -14.687 1.00 94.10 35 A 1 ATOM 289 C CA . LEU A 1 35 ? 0.509 -4.393 -13.870 1.00 93.75 35 A 1 ATOM 290 C C . LEU A 1 35 ? -0.379 -3.935 -12.714 1.00 93.75 35 A 1 ATOM 291 O O . LEU A 1 35 ? -1.189 -4.695 -12.179 1.00 92.94 35 A 1 ATOM 292 C CB . LEU A 1 35 ? 1.709 -5.172 -13.314 1.00 92.94 35 A 1 ATOM 293 C CG . LEU A 1 35 ? 2.772 -5.630 -14.323 1.00 91.98 35 A 1 ATOM 294 C CD1 . LEU A 1 35 ? 3.884 -6.362 -13.581 1.00 89.82 35 A 1 ATOM 295 C CD2 . LEU A 1 35 ? 2.197 -6.571 -15.371 1.00 89.53 35 A 1 ATOM 296 N N . GLY A 1 36 ? -0.213 -2.691 -12.267 1.00 94.49 36 A 1 ATOM 297 C CA . GLY A 1 36 ? -0.957 -2.147 -11.145 1.00 94.71 36 A 1 ATOM 298 C C . GLY A 1 36 ? -0.368 -0.860 -10.593 1.00 95.49 36 A 1 ATOM 299 O O . GLY A 1 36 ? 0.707 -0.420 -10.988 1.00 94.95 36 A 1 ATOM 300 N N . LYS A 1 37 ? -1.079 -0.237 -9.652 1.00 96.23 37 A 1 ATOM 301 C CA . LYS A 1 37 ? -0.661 1.028 -9.047 1.00 96.43 37 A 1 ATOM 302 C C . LYS A 1 37 ? -1.075 1.164 -7.583 1.00 97.01 37 A 1 ATOM 303 O O . LYS A 1 37 ? -2.069 0.599 -7.134 1.00 96.74 37 A 1 ATOM 304 C CB . LYS A 1 37 ? -1.156 2.215 -9.886 1.00 94.72 37 A 1 ATOM 305 C CG . LYS A 1 37 ? -2.678 2.367 -9.869 1.00 92.02 37 A 1 ATOM 306 C CD . LYS A 1 37 ? -3.119 3.486 -10.816 1.00 90.35 37 A 1 ATOM 307 C CE . LYS A 1 37 ? -4.646 3.481 -10.825 1.00 81.04 37 A 1 ATOM 308 N NZ . LYS A 1 37 ? -5.209 4.299 -11.931 1.00 74.93 37 A 1 ATOM 309 N N . VAL A 1 38 ? -0.323 2.003 -6.860 1.00 96.83 38 A 1 ATOM 310 C CA . VAL A 1 38 ? -0.681 2.485 -5.520 1.00 97.39 38 A 1 ATOM 311 C C . VAL A 1 38 ? -0.663 4.008 -5.526 1.00 97.21 38 A 1 ATOM 312 O O . VAL A 1 38 ? 0.246 4.626 -6.055 1.00 96.96 38 A 1 ATOM 313 C CB . VAL A 1 38 ? 0.238 1.903 -4.442 1.00 97.57 38 A 1 ATOM 314 C CG1 . VAL A 1 38 ? -0.028 2.516 -3.062 1.00 96.23 38 A 1 ATOM 315 C CG2 . VAL A 1 38 ? 0.014 0.395 -4.301 1.00 96.23 38 A 1 ATOM 316 N N . ILE A 1 39 ? -1.680 4.628 -4.922 1.00 97.47 39 A 1 ATOM 317 C CA . ILE A 1 39 ? -1.795 6.079 -4.768 1.00 97.34 39 A 1 ATOM 318 C C . ILE A 1 39 ? -1.692 6.421 -3.286 1.00 97.67 39 A 1 ATOM 319 O O . ILE A 1 39 ? -2.405 5.849 -2.466 1.00 97.48 39 A 1 ATOM 320 C CB . ILE A 1 39 ? -3.097 6.614 -5.405 1.00 96.78 39 A 1 ATOM 321 C CG1 . ILE A 1 39 ? -3.158 6.243 -6.904 1.00 95.24 39 A 1 ATOM 322 C CG2 . ILE A 1 39 ? -3.184 8.140 -5.211 1.00 95.90 39 A 1 ATOM 323 C CD1 . ILE A 1 39 ? -4.424 6.716 -7.619 1.00 90.62 39 A 1 ATOM 324 N N . VAL A 1 40 ? -0.824 7.383 -2.955 1.00 97.36 40 A 1 ATOM 325 C CA . VAL A 1 40 ? -0.567 7.857 -1.596 1.00 97.57 40 A 1 ATOM 326 C C . VAL A 1 40 ? -0.820 9.354 -1.520 1.00 97.24 40 A 1 ATOM 327 O O . VAL A 1 40 ? -0.285 10.110 -2.317 1.00 96.59 40 A 1 ATOM 328 C CB . VAL A 1 40 ? 0.866 7.515 -1.138 1.00 97.64 40 A 1 ATOM 329 C CG1 . VAL A 1 40 ? 1.060 7.838 0.353 1.00 96.61 40 A 1 ATOM 330 C CG2 . VAL A 1 40 ? 1.183 6.027 -1.331 1.00 96.54 40 A 1 ATOM 331 N N . ASP A 1 41 ? -1.615 9.787 -0.549 1.00 97.29 41 A 1 ATOM 332 C CA . ASP A 1 41 ? -1.846 11.194 -0.219 1.00 96.82 41 A 1 ATOM 333 C C . ASP A 1 41 ? -1.053 11.550 1.043 1.00 97.01 41 A 1 ATOM 334 O O . ASP A 1 41 ? -1.246 10.936 2.094 1.00 96.52 41 A 1 ATOM 335 C CB . ASP A 1 41 ? -3.353 11.429 -0.057 1.00 95.76 41 A 1 ATOM 336 C CG . ASP A 1 41 ? -3.736 12.887 0.207 1.00 94.04 41 A 1 ATOM 337 O OD1 . ASP A 1 41 ? -2.835 13.711 0.479 1.00 91.06 41 A 1 ATOM 338 O OD2 . ASP A 1 41 ? -4.948 13.173 0.155 1.00 89.05 41 A 1 ATOM 339 N N . VAL A 1 42 ? -0.171 12.551 0.941 1.00 95.88 42 A 1 ATOM 340 C CA . VAL A 1 42 ? 0.717 12.990 2.024 1.00 94.88 42 A 1 ATOM 341 C C . VAL A 1 42 ? 0.258 14.278 2.715 1.00 94.18 42 A 1 ATOM 342 O O . VAL A 1 42 ? 0.980 14.812 3.552 1.00 90.77 42 A 1 ATOM 343 C CB . VAL A 1 42 ? 2.189 13.073 1.558 1.00 93.28 42 A 1 ATOM 344 C CG1 . VAL A 1 42 ? 2.669 11.712 1.042 1.00 85.13 42 A 1 ATOM 345 C CG2 . VAL A 1 42 ? 2.428 14.121 0.479 1.00 85.49 42 A 1 ATOM 346 N N . LYS A 1 43 ? -0.935 14.773 2.428 1.00 93.86 43 A 1 ATOM 347 C CA . LYS A 1 43 ? -1.480 16.033 2.990 1.00 91.12 43 A 1 ATOM 348 C C . LYS A 1 43 ? -1.707 16.001 4.500 1.00 89.27 43 A 1 ATOM 349 O O . LYS A 1 43 ? -1.948 17.052 5.095 1.00 83.25 43 A 1 ATOM 350 C CB . LYS A 1 43 ? -2.789 16.388 2.277 1.00 89.47 43 A 1 ATOM 351 C CG . LYS A 1 43 ? -2.546 16.818 0.832 1.00 86.50 43 A 1 ATOM 352 C CD . LYS A 1 43 ? -3.868 16.985 0.079 1.00 82.42 43 A 1 ATOM 353 C CE . LYS A 1 43 ? -3.529 17.312 -1.378 1.00 77.15 43 A 1 ATOM 354 N NZ . LYS A 1 43 ? -4.675 17.174 -2.306 1.00 68.28 43 A 1 ATOM 355 N N . ASN A 1 44 ? -1.632 14.832 5.136 1.00 87.76 44 A 1 ATOM 356 C CA . ASN A 1 44 ? -1.673 14.686 6.589 1.00 85.91 44 A 1 ATOM 357 C C . ASN A 1 44 ? -2.984 15.174 7.260 1.00 88.46 44 A 1 ATOM 358 O O . ASN A 1 44 ? -3.018 15.422 8.463 1.00 85.25 44 A 1 ATOM 359 C CB . ASN A 1 44 ? -0.395 15.326 7.173 1.00 80.12 44 A 1 ATOM 360 C CG . ASN A 1 44 ? -0.035 14.838 8.552 1.00 73.60 44 A 1 ATOM 361 O OD1 . ASN A 1 44 ? -0.220 13.684 8.886 1.00 68.20 44 A 1 ATOM 362 N ND2 . ASN A 1 44 ? 0.567 15.653 9.388 1.00 66.84 44 A 1 ATOM 363 N N . VAL A 1 45 ? -4.071 15.301 6.503 1.00 90.20 45 A 1 ATOM 364 C CA . VAL A 1 45 ? -5.335 15.926 6.947 1.00 90.33 45 A 1 ATOM 365 C C . VAL A 1 45 ? -6.041 15.177 8.085 1.00 92.21 45 A 1 ATOM 366 O O . VAL A 1 45 ? -6.758 15.776 8.867 1.00 90.03 45 A 1 ATOM 367 C CB . VAL A 1 45 ? -6.308 16.110 5.767 1.00 87.68 45 A 1 ATOM 368 C CG1 . VAL A 1 45 ? -5.732 17.096 4.745 1.00 81.20 45 A 1 ATOM 369 C CG2 . VAL A 1 45 ? -6.644 14.797 5.047 1.00 81.22 45 A 1 ATOM 370 N N . GLU A 1 46 ? -5.806 13.872 8.211 1.00 93.51 46 A 1 ATOM 371 C CA . GLU A 1 46 ? -6.426 13.014 9.232 1.00 93.88 46 A 1 ATOM 372 C C . GLU A 1 46 ? -5.521 12.806 10.459 1.00 94.96 46 A 1 ATOM 373 O O . GLU A 1 46 ? -5.808 11.962 11.309 1.00 93.94 46 A 1 ATOM 374 C CB . GLU A 1 46 ? -6.807 11.668 8.592 1.00 92.50 46 A 1 ATOM 375 C CG . GLU A 1 46 ? -7.894 11.771 7.509 1.00 88.58 46 A 1 ATOM 376 C CD . GLU A 1 46 ? -9.306 12.019 8.051 1.00 84.48 46 A 1 ATOM 377 O OE1 . GLU A 1 46 ? -10.133 12.525 7.274 1.00 75.47 46 A 1 ATOM 378 O OE2 . GLU A 1 46 ? -9.594 11.590 9.189 1.00 75.81 46 A 1 ATOM 379 N N . TYR A 1 47 ? -4.419 13.559 10.589 1.00 94.85 47 A 1 ATOM 380 C CA . TYR A 1 47 ? -3.463 13.353 11.680 1.00 95.29 47 A 1 ATOM 381 C C . TYR A 1 47 ? -4.102 13.496 13.062 1.00 95.37 47 A 1 ATOM 382 O O . TYR A 1 47 ? -3.899 12.635 13.917 1.00 95.16 47 A 1 ATOM 383 C CB . TYR A 1 47 ? -2.283 14.316 11.542 1.00 94.89 47 A 1 ATOM 384 C CG . TYR A 1 47 ? -1.309 14.185 12.692 1.00 94.43 47 A 1 ATOM 385 C CD1 . TYR A 1 47 ? -1.233 15.193 13.678 1.00 90.54 47 A 1 ATOM 386 C CD2 . TYR A 1 47 ? -0.510 13.029 12.806 1.00 92.01 47 A 1 ATOM 387 C CE1 . TYR A 1 47 ? -0.362 15.039 14.774 1.00 89.58 47 A 1 ATOM 388 C CE2 . TYR A 1 47 ? 0.357 12.868 13.905 1.00 90.45 47 A 1 ATOM 389 C CZ . TYR A 1 47 ? 0.429 13.874 14.885 1.00 91.83 47 A 1 ATOM 390 O OH . TYR A 1 47 ? 1.266 13.722 15.952 1.00 89.97 47 A 1 ATOM 391 N N . GLU A 1 48 ? -4.930 14.514 13.285 1.00 96.09 48 A 1 ATOM 392 C CA . GLU A 1 48 ? -5.587 14.723 14.582 1.00 96.02 48 A 1 ATOM 393 C C . GLU A 1 48 ? -6.464 13.535 15.004 1.00 96.12 48 A 1 ATOM 394 O O . GLU A 1 48 ? -6.541 13.205 16.191 1.00 95.26 48 A 1 ATOM 395 C CB . GLU A 1 48 ? -6.427 16.009 14.554 1.00 95.88 48 A 1 ATOM 396 C CG . GLU A 1 48 ? -5.562 17.278 14.585 1.00 90.62 48 A 1 ATOM 397 C CD . GLU A 1 48 ? -4.637 17.311 15.816 1.00 89.29 48 A 1 ATOM 398 O OE1 . GLU A 1 48 ? -3.427 17.572 15.643 1.00 82.25 48 A 1 ATOM 399 O OE2 . GLU A 1 48 ? -5.097 16.957 16.927 1.00 83.35 48 A 1 ATOM 400 N N . ARG A 1 49 ? -7.074 12.857 14.050 1.00 96.17 49 A 1 ATOM 401 C CA . ARG A 1 49 ? -7.869 11.654 14.293 1.00 95.97 49 A 1 ATOM 402 C C . ARG A 1 49 ? -7.003 10.470 14.724 1.00 96.26 49 A 1 ATOM 403 O O . ARG A 1 49 ? -7.388 9.735 15.632 1.00 95.60 49 A 1 ATOM 404 C CB . ARG A 1 49 ? -8.685 11.352 13.031 1.00 94.88 49 A 1 ATOM 405 C CG . ARG A 1 49 ? -9.574 10.114 13.185 1.00 91.86 49 A 1 ATOM 406 C CD . ARG A 1 49 ? -10.377 9.936 11.903 1.00 90.02 49 A 1 ATOM 407 N NE . ARG A 1 49 ? -11.160 8.684 11.925 1.00 84.79 49 A 1 ATOM 408 C CZ . ARG A 1 49 ? -12.011 8.287 11.007 1.00 82.82 49 A 1 ATOM 409 N NH1 . ARG A 1 49 ? -12.283 9.015 9.966 1.00 76.56 49 A 1 ATOM 410 N NH2 . ARG A 1 49 ? -12.594 7.142 11.130 1.00 74.68 49 A 1 ATOM 411 N N . TYR A 1 50 ? -5.852 10.292 14.094 1.00 96.17 50 A 1 ATOM 412 C CA . TYR A 1 50 ? -5.010 9.105 14.291 1.00 96.17 50 A 1 ATOM 413 C C . TYR A 1 50 ? -3.759 9.332 15.140 1.00 96.43 50 A 1 ATOM 414 O O . TYR A 1 50 ? -3.023 8.374 15.379 1.00 95.63 50 A 1 ATOM 415 C CB . TYR A 1 50 ? -4.665 8.488 12.935 1.00 96.11 50 A 1 ATOM 416 C CG . TYR A 1 50 ? -5.858 7.993 12.153 1.00 96.22 50 A 1 ATOM 417 C CD1 . TYR A 1 50 ? -6.706 7.007 12.709 1.00 94.63 50 A 1 ATOM 418 C CD2 . TYR A 1 50 ? -6.144 8.507 10.880 1.00 94.99 50 A 1 ATOM 419 C CE1 . TYR A 1 50 ? -7.834 6.566 12.003 1.00 94.37 50 A 1 ATOM 420 C CE2 . TYR A 1 50 ? -7.279 8.072 10.168 1.00 94.51 50 A 1 ATOM 421 C CZ . TYR A 1 50 ? -8.129 7.106 10.738 1.00 94.98 50 A 1 ATOM 422 O OH . TYR A 1 50 ? -9.241 6.702 10.067 1.00 93.81 50 A 1 ATOM 423 N N . LYS A 1 51 ? -3.501 10.550 15.648 1.00 96.54 51 A 1 ATOM 424 C CA . LYS A 1 51 ? -2.266 10.896 16.382 1.00 96.48 51 A 1 ATOM 425 C C . LYS A 1 51 ? -1.933 9.943 17.536 1.00 96.47 51 A 1 ATOM 426 O O . LYS A 1 51 ? -0.769 9.625 17.733 1.00 95.97 51 A 1 ATOM 427 C CB . LYS A 1 51 ? -2.322 12.354 16.859 1.00 95.85 51 A 1 ATOM 428 C CG . LYS A 1 51 ? -3.432 12.644 17.895 1.00 94.65 51 A 1 ATOM 429 C CD . LYS A 1 51 ? -3.429 14.138 18.236 1.00 92.70 51 A 1 ATOM 430 C CE . LYS A 1 51 ? -4.568 14.494 19.193 1.00 87.64 51 A 1 ATOM 431 N NZ . LYS A 1 51 ? -4.673 15.963 19.340 1.00 81.54 51 A 1 ATOM 432 N N . HIS A 1 52 ? -2.942 9.443 18.242 1.00 97.10 52 A 1 ATOM 433 C CA . HIS A 1 52 ? -2.767 8.489 19.345 1.00 96.81 52 A 1 ATOM 434 C C . HIS A 1 52 ? -2.274 7.097 18.891 1.00 96.87 52 A 1 ATOM 435 O O . HIS A 1 52 ? -1.775 6.325 19.703 1.00 95.91 52 A 1 ATOM 436 C CB . HIS A 1 52 ? -4.090 8.385 20.106 1.00 96.44 52 A 1 ATOM 437 C CG . HIS A 1 52 ? -5.204 7.745 19.308 1.00 94.75 52 A 1 ATOM 438 N ND1 . HIS A 1 52 ? -5.993 8.339 18.343 1.00 87.61 52 A 1 ATOM 439 C CD2 . HIS A 1 52 ? -5.620 6.454 19.420 1.00 88.59 52 A 1 ATOM 440 C CE1 . HIS A 1 52 ? -6.858 7.433 17.892 1.00 89.10 52 A 1 ATOM 441 N NE2 . HIS A 1 52 ? -6.672 6.264 18.512 1.00 90.84 52 A 1 ATOM 442 N N . LEU A 1 53 ? -2.386 6.792 17.597 1.00 96.98 53 A 1 ATOM 443 C CA . LEU A 1 53 ? -1.880 5.569 16.971 1.00 96.62 53 A 1 ATOM 444 C C . LEU A 1 53 ? -0.555 5.788 16.228 1.00 96.87 53 A 1 ATOM 445 O O . LEU A 1 53 ? 0.008 4.819 15.727 1.00 95.94 53 A 1 ATOM 446 C CB . LEU A 1 53 ? -2.944 5.011 16.007 1.00 96.53 53 A 1 ATOM 447 C CG . LEU A 1 53 ? -4.294 4.681 16.662 1.00 95.88 53 A 1 ATOM 448 C CD1 . LEU A 1 53 ? -5.261 4.193 15.577 1.00 94.41 53 A 1 ATOM 449 C CD2 . LEU A 1 53 ? -4.166 3.584 17.720 1.00 94.19 53 A 1 ATOM 450 N N . CYS A 1 54 ? -0.065 7.022 16.135 1.00 96.68 54 A 1 ATOM 451 C CA . CYS A 1 54 ? 1.122 7.392 15.376 1.00 96.33 54 A 1 ATOM 452 C C . CYS A 1 54 ? 2.387 7.430 16.249 1.00 96.04 54 A 1 ATOM 453 O O . CYS A 1 54 ? 2.340 7.787 17.424 1.00 95.41 54 A 1 ATOM 454 C CB . CYS A 1 54 ? 0.888 8.741 14.692 1.00 96.24 54 A 1 ATOM 455 S SG . CYS A 1 54 ? -0.383 8.596 13.396 1.00 95.64 54 A 1 ATOM 456 N N . ASN A 1 55 ? 3.530 7.136 15.634 1.00 96.49 55 A 1 ATOM 457 C CA . ASN A 1 55 ? 4.848 7.530 16.131 1.00 96.05 55 A 1 ATOM 458 C C . ASN A 1 55 ? 5.279 8.801 15.379 1.00 95.83 55 A 1 ATOM 459 O O . ASN A 1 55 ? 5.369 8.794 14.153 1.00 94.51 55 A 1 ATOM 460 C CB . ASN A 1 55 ? 5.848 6.382 15.933 1.00 95.44 55 A 1 ATOM 461 C CG . ASN A 1 55 ? 5.560 5.149 16.766 1.00 93.80 55 A 1 ATOM 462 O OD1 . ASN A 1 55 ? 4.873 5.157 17.775 1.00 90.35 55 A 1 ATOM 463 N ND2 . ASN A 1 55 ? 6.117 4.029 16.366 1.00 90.11 55 A 1 ATOM 464 N N . GLY A 1 56 ? 5.518 9.894 16.087 1.00 94.74 56 A 1 ATOM 465 C CA . GLY A 1 56 ? 5.764 11.198 15.480 1.00 94.20 56 A 1 ATOM 466 C C . GLY A 1 56 ? 4.517 11.791 14.806 1.00 94.80 56 A 1 ATOM 467 O O . GLY A 1 56 ? 3.399 11.344 15.049 1.00 93.99 56 A 1 ATOM 468 N N . ASN A 1 57 ? 4.708 12.821 13.983 1.00 95.62 57 A 1 ATOM 469 C CA . ASN A 1 57 ? 3.634 13.657 13.430 1.00 95.04 57 A 1 ATOM 470 C C . ASN A 1 57 ? 3.414 13.506 11.916 1.00 95.39 57 A 1 ATOM 471 O O . ASN A 1 57 ? 2.594 14.220 11.344 1.00 94.04 57 A 1 ATOM 472 C CB . ASN A 1 57 ? 3.909 15.120 13.822 1.00 93.56 57 A 1 ATOM 473 C CG . ASN A 1 57 ? 5.163 15.695 13.200 1.00 90.81 57 A 1 ATOM 474 O OD1 . ASN A 1 57 ? 5.973 15.029 12.578 1.00 83.50 57 A 1 ATOM 475 N ND2 . ASN A 1 57 ? 5.400 16.979 13.373 1.00 83.72 57 A 1 ATOM 476 N N . LYS A 1 58 ? 4.143 12.589 11.245 1.00 95.49 58 A 1 ATOM 477 C CA . LYS A 1 58 ? 3.984 12.346 9.809 1.00 95.82 58 A 1 ATOM 478 C C . LYS A 1 58 ? 2.982 11.215 9.575 1.00 96.61 58 A 1 ATOM 479 O O . LYS A 1 58 ? 3.194 10.089 10.029 1.00 96.54 58 A 1 ATOM 480 C CB . LYS A 1 58 ? 5.338 12.012 9.177 1.00 95.07 58 A 1 ATOM 481 C CG . LYS A 1 58 ? 6.368 13.146 9.279 1.00 93.97 58 A 1 ATOM 482 C CD . LYS A 1 58 ? 7.665 12.677 8.610 1.00 91.56 58 A 1 ATOM 483 C CE . LYS A 1 58 ? 8.796 13.696 8.725 1.00 87.84 58 A 1 ATOM 484 N NZ . LYS A 1 58 ? 10.048 13.117 8.161 1.00 81.40 58 A 1 ATOM 485 N N . LEU A 1 59 ? 1.906 11.508 8.843 1.00 96.78 59 A 1 ATOM 486 C CA . LEU A 1 59 ? 0.876 10.535 8.470 1.00 97.02 59 A 1 ATOM 487 C C . LEU A 1 59 ? 0.570 10.674 6.977 1.00 96.89 59 A 1 ATOM 488 O O . LEU A 1 59 ? 0.343 11.777 6.493 1.00 96.25 59 A 1 ATOM 489 C CB . LEU A 1 59 ? -0.369 10.772 9.340 1.00 97.02 59 A 1 ATOM 490 C CG . LEU A 1 59 ? -1.550 9.825 9.068 1.00 96.75 59 A 1 ATOM 491 C CD1 . LEU A 1 59 ? -1.246 8.385 9.472 1.00 95.52 59 A 1 ATOM 492 C CD2 . LEU A 1 59 ? -2.773 10.282 9.855 1.00 95.60 59 A 1 ATOM 493 N N . ALA A 1 60 ? 0.526 9.564 6.261 1.00 97.41 60 A 1 ATOM 494 C CA . ALA A 1 60 ? 0.102 9.521 4.869 1.00 97.50 60 A 1 ATOM 495 C C . ALA A 1 60 ? -0.974 8.449 4.658 1.00 97.76 60 A 1 ATOM 496 O O . ALA A 1 60 ? -0.983 7.407 5.315 1.00 97.61 60 A 1 ATOM 497 C CB . ALA A 1 60 ? 1.323 9.323 3.962 1.00 97.28 60 A 1 ATOM 498 N N . LYS A 1 61 ? -1.879 8.721 3.726 1.00 97.58 61 A 1 ATOM 499 C CA . LYS A 1 61 ? -2.988 7.830 3.376 1.00 97.62 61 A 1 ATOM 500 C C . LYS A 1 61 ? -2.666 7.052 2.113 1.00 97.71 61 A 1 ATOM 501 O O . LYS A 1 61 ? -2.457 7.638 1.069 1.00 97.56 61 A 1 ATOM 502 C CB . LYS A 1 61 ? -4.254 8.665 3.212 1.00 97.07 61 A 1 ATOM 503 C CG . LYS A 1 61 ? -5.508 7.796 2.992 1.00 96.00 61 A 1 ATOM 504 C CD . LYS A 1 61 ? -6.732 8.709 2.949 1.00 94.38 61 A 1 ATOM 505 C CE . LYS A 1 61 ? -8.030 7.897 2.869 1.00 90.07 61 A 1 ATOM 506 N NZ . LYS A 1 61 ? -9.195 8.808 2.997 1.00 84.41 61 A 1 ATOM 507 N N . ILE A 1 62 ? -2.737 5.740 2.188 1.00 97.78 62 A 1 ATOM 508 C CA . ILE A 1 62 ? -2.824 4.915 0.980 1.00 97.80 62 A 1 ATOM 509 C C . ILE A 1 62 ? -4.280 4.968 0.505 1.00 97.53 62 A 1 ATOM 510 O O . ILE A 1 62 ? -5.170 4.379 1.108 1.00 97.13 62 A 1 ATOM 511 C CB . ILE A 1 62 ? -2.314 3.483 1.235 1.00 98.17 62 A 1 ATOM 512 C CG1 . ILE A 1 62 ? -0.840 3.516 1.682 1.00 97.83 62 A 1 ATOM 513 C CG2 . ILE A 1 62 ? -2.486 2.645 -0.042 1.00 97.92 62 A 1 ATOM 514 C CD1 . ILE A 1 62 ? -0.303 2.163 2.156 1.00 97.15 62 A 1 ATOM 515 N N . VAL A 1 63 ? -4.505 5.740 -0.554 1.00 97.24 63 A 1 ATOM 516 C CA . VAL A 1 63 ? -5.831 6.033 -1.110 1.00 96.43 63 A 1 ATOM 517 C C . VAL A 1 63 ? -6.334 4.860 -1.946 1.00 96.11 63 A 1 ATOM 518 O O . VAL A 1 63 ? -7.527 4.566 -1.944 1.00 94.02 63 A 1 ATOM 519 C CB . VAL A 1 63 ? -5.784 7.308 -1.965 1.00 95.22 63 A 1 ATOM 520 C CG1 . VAL A 1 63 ? -7.147 7.669 -2.574 1.00 90.50 63 A 1 ATOM 521 C CG2 . VAL A 1 63 ? -5.311 8.516 -1.151 1.00 91.14 63 A 1 ATOM 522 N N . ARG A 1 64 ? -5.429 4.210 -2.667 1.00 96.63 64 A 1 ATOM 523 C CA . ARG A 1 64 ? -5.788 3.176 -3.637 1.00 96.23 64 A 1 ATOM 524 C C . ARG A 1 64 ? -4.670 2.154 -3.784 1.00 96.98 64 A 1 ATOM 525 O O . ARG A 1 64 ? -3.506 2.535 -3.809 1.00 96.40 64 A 1 ATOM 526 C CB . ARG A 1 64 ? -6.098 3.866 -4.970 1.00 94.31 64 A 1 ATOM 527 C CG . ARG A 1 64 ? -6.723 2.914 -5.988 1.00 86.38 64 A 1 ATOM 528 C CD . ARG A 1 64 ? -7.090 3.659 -7.268 1.00 81.77 64 A 1 ATOM 529 N NE . ARG A 1 64 ? -8.263 4.545 -7.114 1.00 74.02 64 A 1 ATOM 530 C CZ . ARG A 1 64 ? -9.117 4.835 -8.086 1.00 67.59 64 A 1 ATOM 531 N NH1 . ARG A 1 64 ? -8.973 4.362 -9.289 1.00 61.21 64 A 1 ATOM 532 N NH2 . ARG A 1 64 ? -10.142 5.602 -7.857 1.00 59.30 64 A 1 ATOM 533 N N . VAL A 1 65 ? -5.045 0.897 -3.919 1.00 96.58 65 A 1 ATOM 534 C CA . VAL A 1 65 ? -4.167 -0.206 -4.322 1.00 96.30 65 A 1 ATOM 535 C C . VAL A 1 65 ? -4.906 -0.967 -5.415 1.00 95.45 65 A 1 ATOM 536 O O . VAL A 1 65 ? -5.972 -1.525 -5.157 1.00 94.25 65 A 1 ATOM 537 C CB . VAL A 1 65 ? -3.834 -1.136 -3.138 1.00 96.61 65 A 1 ATOM 538 C CG1 . VAL A 1 65 ? -2.848 -2.237 -3.560 1.00 95.98 65 A 1 ATOM 539 C CG2 . VAL A 1 65 ? -3.233 -0.380 -1.951 1.00 95.87 65 A 1 ATOM 540 N N . GLU A 1 66 ? -4.369 -0.956 -6.620 1.00 94.54 66 A 1 ATOM 541 C CA . GLU A 1 66 ? -4.947 -1.616 -7.784 1.00 93.72 66 A 1 ATOM 542 C C . GLU A 1 66 ? -3.945 -2.593 -8.375 1.00 94.03 66 A 1 ATOM 543 O O . GLU A 1 66 ? -2.748 -2.305 -8.451 1.00 93.00 66 A 1 ATOM 544 C CB . GLU A 1 66 ? -5.384 -0.596 -8.848 1.00 90.77 66 A 1 ATOM 545 C CG . GLU A 1 66 ? -6.636 0.177 -8.415 1.00 79.22 66 A 1 ATOM 546 C CD . GLU A 1 66 ? -7.059 1.282 -9.395 1.00 80.58 66 A 1 ATOM 547 O OE1 . GLU A 1 66 ? -8.159 1.849 -9.201 1.00 73.34 66 A 1 ATOM 548 O OE2 . GLU A 1 66 ? -6.265 1.712 -10.256 1.00 74.33 66 A 1 ATOM 549 N N . THR A 1 67 ? -4.431 -3.747 -8.804 1.00 93.45 67 A 1 ATOM 550 C CA . THR A 1 67 ? -3.691 -4.714 -9.612 1.00 92.52 67 A 1 ATOM 551 C C . THR A 1 67 ? -4.617 -5.124 -10.742 1.00 91.43 67 A 1 ATOM 552 O O . THR A 1 67 ? -5.784 -5.418 -10.469 1.00 89.56 67 A 1 ATOM 553 C CB . THR A 1 67 ? -3.280 -5.940 -8.797 1.00 91.86 67 A 1 ATOM 554 O OG1 . THR A 1 67 ? -2.523 -5.550 -7.672 1.00 85.97 67 A 1 ATOM 555 C CG2 . THR A 1 67 ? -2.425 -6.930 -9.576 1.00 85.44 67 A 1 ATOM 556 N N . ASP A 1 68 ? -4.103 -5.122 -11.965 1.00 91.12 68 A 1 ATOM 557 C CA . ASP A 1 68 ? -4.839 -5.620 -13.117 1.00 89.87 68 A 1 ATOM 558 C C . ASP A 1 68 ? -5.265 -7.082 -12.889 1.00 89.24 68 A 1 ATOM 559 O O . ASP A 1 68 ? -4.534 -7.866 -12.272 1.00 87.85 68 A 1 ATOM 560 C CB . ASP A 1 68 ? -3.995 -5.443 -14.385 1.00 88.84 68 A 1 ATOM 561 C CG . ASP A 1 68 ? -4.857 -5.645 -15.619 1.00 82.18 68 A 1 ATOM 562 O OD1 . ASP A 1 68 ? -5.371 -6.774 -15.760 1.00 77.35 68 A 1 ATOM 563 O OD2 . ASP A 1 68 ? -5.090 -4.636 -16.313 1.00 75.80 68 A 1 ATOM 564 N N . SER A 1 69 ? -6.471 -7.426 -13.311 1.00 89.38 69 A 1 ATOM 565 C CA . SER A 1 69 ? -7.062 -8.743 -13.083 1.00 88.25 69 A 1 ATOM 566 C C . SER A 1 69 ? -6.229 -9.879 -13.676 1.00 88.23 69 A 1 ATOM 567 O O . SER A 1 69 ? -6.144 -10.945 -13.055 1.00 86.43 69 A 1 ATOM 568 C CB . SER A 1 69 ? -8.490 -8.792 -13.631 1.00 86.62 69 A 1 ATOM 569 O OG . SER A 1 69 ? -8.554 -8.317 -14.956 1.00 79.71 69 A 1 ATOM 570 N N . GLU A 1 70 ? -5.549 -9.644 -14.801 1.00 87.40 70 A 1 ATOM 571 C CA . GLU A 1 70 ? -4.704 -10.628 -15.475 1.00 87.14 70 A 1 ATOM 572 C C . GLU A 1 70 ? -3.449 -10.985 -14.660 1.00 87.28 70 A 1 ATOM 573 O O . GLU A 1 70 ? -2.946 -12.101 -14.738 1.00 85.71 70 A 1 ATOM 574 C CB . GLU A 1 70 ? -4.297 -10.094 -16.856 1.00 86.35 70 A 1 ATOM 575 C CG . GLU A 1 70 ? -5.514 -9.907 -17.783 1.00 80.13 70 A 1 ATOM 576 C CD . GLU A 1 70 ? -5.132 -9.541 -19.229 1.00 76.27 70 A 1 ATOM 577 O OE1 . GLU A 1 70 ? -6.054 -9.583 -20.076 1.00 69.09 70 A 1 ATOM 578 O OE2 . GLU A 1 70 ? -3.937 -9.293 -19.494 1.00 69.14 70 A 1 ATOM 579 N N . TYR A 1 71 ? -2.984 -10.057 -13.804 1.00 88.39 71 A 1 ATOM 580 C CA . TYR A 1 71 ? -1.756 -10.202 -13.016 1.00 88.04 71 A 1 ATOM 581 C C . TYR A 1 71 ? -2.025 -10.446 -11.528 1.00 87.92 71 A 1 ATOM 582 O O . TYR A 1 71 ? -1.154 -10.307 -10.661 1.00 86.60 71 A 1 ATOM 583 C CB . TYR A 1 71 ? -0.845 -9.006 -13.284 1.00 87.95 71 A 1 ATOM 584 C CG . TYR A 1 71 ? -0.622 -8.753 -14.758 1.00 87.64 71 A 1 ATOM 585 C CD1 . TYR A 1 71 ? 0.132 -9.655 -15.539 1.00 84.86 71 A 1 ATOM 586 C CD2 . TYR A 1 71 ? -1.250 -7.662 -15.378 1.00 85.39 71 A 1 ATOM 587 C CE1 . TYR A 1 71 ? 0.262 -9.460 -16.928 1.00 83.73 71 A 1 ATOM 588 C CE2 . TYR A 1 71 ? -1.129 -7.465 -16.772 1.00 83.93 71 A 1 ATOM 589 C CZ . TYR A 1 71 ? -0.385 -8.368 -17.540 1.00 84.11 71 A 1 ATOM 590 O OH . TYR A 1 71 ? -0.296 -8.199 -18.885 1.00 81.91 71 A 1 ATOM 591 N N . CYS A 1 72 ? -3.254 -10.837 -11.186 1.00 87.71 72 A 1 ATOM 592 C CA . CYS A 1 72 ? -3.599 -11.210 -9.825 1.00 86.77 72 A 1 ATOM 593 C C . CYS A 1 72 ? -2.798 -12.426 -9.346 1.00 86.52 72 A 1 ATOM 594 O O . CYS A 1 72 ? -2.695 -13.455 -10.002 1.00 84.17 72 A 1 ATOM 595 C CB . CYS A 1 72 ? -5.103 -11.466 -9.721 1.00 85.03 72 A 1 ATOM 596 S SG . CYS A 1 72 ? -5.944 -9.871 -9.721 1.00 77.38 72 A 1 ATOM 597 N N . GLY A 1 73 ? -2.250 -12.332 -8.130 1.00 87.97 73 A 1 ATOM 598 C CA . GLY A 1 73 ? -1.434 -13.393 -7.535 1.00 87.86 73 A 1 ATOM 599 C C . GLY A 1 73 ? 0.048 -13.361 -7.926 1.00 88.61 73 A 1 ATOM 600 O O . GLY A 1 73 ? 0.816 -14.128 -7.351 1.00 86.96 73 A 1 ATOM 601 N N . TRP A 1 74 ? 0.475 -12.443 -8.817 1.00 90.13 74 A 1 ATOM 602 C CA . TRP A 1 74 ? 1.874 -12.271 -9.193 1.00 90.29 74 A 1 ATOM 603 C C . TRP A 1 74 ? 2.732 -11.534 -8.143 1.00 91.23 74 A 1 ATOM 604 O O . TRP A 1 74 ? 3.941 -11.480 -8.261 1.00 90.05 74 A 1 ATOM 605 C CB . TRP A 1 74 ? 1.948 -11.551 -10.543 1.00 88.85 74 A 1 ATOM 606 C CG . TRP A 1 74 ? 1.511 -12.317 -11.753 1.00 86.85 74 A 1 ATOM 607 C CD1 . TRP A 1 74 ? 0.596 -13.314 -11.793 1.00 81.54 74 A 1 ATOM 608 C CD2 . TRP A 1 74 ? 1.983 -12.162 -13.121 1.00 82.78 74 A 1 ATOM 609 N NE1 . TRP A 1 74 ? 0.469 -13.784 -13.084 1.00 78.80 74 A 1 ATOM 610 C CE2 . TRP A 1 74 ? 1.305 -13.108 -13.942 1.00 81.25 74 A 1 ATOM 611 C CE3 . TRP A 1 74 ? 2.925 -11.310 -13.742 1.00 76.97 74 A 1 ATOM 612 C CZ2 . TRP A 1 74 ? 1.564 -13.216 -15.318 1.00 76.57 74 A 1 ATOM 613 C CZ3 . TRP A 1 74 ? 3.184 -11.412 -15.115 1.00 75.23 74 A 1 ATOM 614 C CH2 . TRP A 1 74 ? 2.511 -12.358 -15.904 1.00 74.84 74 A 1 ATOM 615 N N . GLY A 1 75 ? 2.100 -10.990 -7.094 1.00 91.76 75 A 1 ATOM 616 C CA . GLY A 1 75 ? 2.810 -10.236 -6.052 1.00 92.64 75 A 1 ATOM 617 C C . GLY A 1 75 ? 2.916 -8.725 -6.313 1.00 93.77 75 A 1 ATOM 618 O O . GLY A 1 75 ? 3.436 -8.015 -5.459 1.00 93.26 75 A 1 ATOM 619 N N . VAL A 1 76 ? 2.339 -8.205 -7.400 1.00 93.64 76 A 1 ATOM 620 C CA . VAL A 1 76 ? 2.390 -6.786 -7.819 1.00 94.43 76 A 1 ATOM 621 C C . VAL A 1 76 ? 2.025 -5.824 -6.679 1.00 95.35 76 A 1 ATOM 622 O O . VAL A 1 76 ? 2.798 -4.938 -6.329 1.00 95.41 76 A 1 ATOM 623 C CB . VAL A 1 76 ? 1.431 -6.543 -9.008 1.00 94.05 76 A 1 ATOM 624 C CG1 . VAL A 1 76 ? 1.478 -5.087 -9.483 1.00 92.96 76 A 1 ATOM 625 C CG2 . VAL A 1 76 ? 1.755 -7.451 -10.196 1.00 92.95 76 A 1 ATOM 626 N N . ALA A 1 77 ? 0.868 -6.021 -6.038 1.00 95.50 77 A 1 ATOM 627 C CA . ALA A 1 77 ? 0.441 -5.177 -4.922 1.00 95.99 77 A 1 ATOM 628 C C . ALA A 1 77 ? 1.400 -5.252 -3.724 1.00 96.62 77 A 1 ATOM 629 O O . ALA A 1 77 ? 1.570 -4.272 -3.007 1.00 96.74 77 A 1 ATOM 630 C CB . ALA A 1 77 ? -0.973 -5.588 -4.507 1.00 95.59 77 A 1 ATOM 631 N N . THR A 1 78 ? 2.016 -6.415 -3.482 1.00 95.72 78 A 1 ATOM 632 C CA . THR A 1 78 ? 2.991 -6.594 -2.402 1.00 95.84 78 A 1 ATOM 633 C C . THR A 1 78 ? 4.240 -5.769 -2.670 1.00 96.19 78 A 1 ATOM 634 O O . THR A 1 78 ? 4.672 -5.045 -1.769 1.00 96.10 78 A 1 ATOM 635 C CB . THR A 1 78 ? 3.369 -8.076 -2.223 1.00 95.35 78 A 1 ATOM 636 O OG1 . THR A 1 78 ? 2.212 -8.834 -1.941 1.00 93.68 78 A 1 ATOM 637 C CG2 . THR A 1 78 ? 4.336 -8.313 -1.062 1.00 93.76 78 A 1 ATOM 638 N N . GLU A 1 79 ? 4.802 -5.815 -3.875 1.00 94.61 79 A 1 ATOM 639 C CA . GLU A 1 79 ? 6.011 -5.076 -4.219 1.00 94.47 79 A 1 ATOM 640 C C . GLU A 1 79 ? 5.770 -3.564 -4.259 1.00 95.37 79 A 1 ATOM 641 O O . GLU A 1 79 ? 6.534 -2.810 -3.650 1.00 95.34 79 A 1 ATOM 642 C CB . GLU A 1 79 ? 6.599 -5.593 -5.539 1.00 93.81 79 A 1 ATOM 643 C CG . GLU A 1 79 ? 7.118 -7.041 -5.433 1.00 89.49 79 A 1 ATOM 644 C CD . GLU A 1 79 ? 8.014 -7.248 -4.208 1.00 87.88 79 A 1 ATOM 645 O OE1 . GLU A 1 79 ? 7.699 -8.135 -3.368 1.00 80.01 79 A 1 ATOM 646 O OE2 . GLU A 1 79 ? 8.934 -6.449 -3.982 1.00 79.52 79 A 1 ATOM 647 N N . LEU A 1 80 ? 4.647 -3.115 -4.833 1.00 96.46 80 A 1 ATOM 648 C CA . LEU A 1 80 ? 4.238 -1.709 -4.774 1.00 96.70 80 A 1 ATOM 649 C C . LEU A 1 80 ? 4.138 -1.199 -3.331 1.00 97.37 80 A 1 ATOM 650 O O . LEU A 1 80 ? 4.648 -0.126 -3.010 1.00 97.46 80 A 1 ATOM 651 C CB . LEU A 1 80 ? 2.881 -1.555 -5.472 1.00 96.74 80 A 1 ATOM 652 C CG . LEU A 1 80 ? 2.944 -1.524 -7.008 1.00 96.14 80 A 1 ATOM 653 C CD1 . LEU A 1 80 ? 1.520 -1.630 -7.564 1.00 95.62 80 A 1 ATOM 654 C CD2 . LEU A 1 80 ? 3.547 -0.204 -7.502 1.00 95.72 80 A 1 ATOM 655 N N . LEU A 1 81 ? 3.511 -1.955 -2.430 1.00 97.29 81 A 1 ATOM 656 C CA . LEU A 1 81 ? 3.373 -1.550 -1.030 1.00 97.68 81 A 1 ATOM 657 C C . LEU A 1 81 ? 4.699 -1.592 -0.269 1.00 97.53 81 A 1 ATOM 658 O O . LEU A 1 81 ? 4.924 -0.738 0.583 1.00 97.61 81 A 1 ATOM 659 C CB . LEU A 1 81 ? 2.331 -2.431 -0.340 1.00 97.93 81 A 1 ATOM 660 C CG . LEU A 1 81 ? 0.891 -2.106 -0.748 1.00 97.71 81 A 1 ATOM 661 C CD1 . LEU A 1 81 ? -0.028 -3.224 -0.254 1.00 97.26 81 A 1 ATOM 662 C CD2 . LEU A 1 81 ? 0.403 -0.796 -0.115 1.00 97.35 81 A 1 ATOM 663 N N . LYS A 1 82 ? 5.587 -2.545 -0.562 1.00 96.30 82 A 1 ATOM 664 C CA . LYS A 1 82 ? 6.948 -2.545 -0.003 1.00 95.79 82 A 1 ATOM 665 C C . LYS A 1 82 ? 7.710 -1.299 -0.427 1.00 96.08 82 A 1 ATOM 666 O O . LYS A 1 82 ? 8.353 -0.681 0.413 1.00 96.01 82 A 1 ATOM 667 C CB . LYS A 1 82 ? 7.726 -3.787 -0.460 1.00 95.22 82 A 1 ATOM 668 C CG . LYS A 1 82 ? 7.343 -5.087 0.255 1.00 93.94 82 A 1 ATOM 669 C CD . LYS A 1 82 ? 8.139 -6.204 -0.436 1.00 91.46 82 A 1 ATOM 670 C CE . LYS A 1 82 ? 7.850 -7.615 0.059 1.00 88.68 82 A 1 ATOM 671 N NZ . LYS A 1 82 ? 8.512 -8.583 -0.862 1.00 83.05 82 A 1 ATOM 672 N N . GLU A 1 83 ? 7.584 -0.890 -1.683 1.00 95.42 83 A 1 ATOM 673 C CA . GLU A 1 83 ? 8.227 0.322 -2.189 1.00 95.56 83 A 1 ATOM 674 C C . GLU A 1 83 ? 7.644 1.588 -1.538 1.00 96.20 83 A 1 ATOM 675 O O . GLU A 1 83 ? 8.400 2.429 -1.057 1.00 96.08 83 A 1 ATOM 676 C CB . GLU A 1 83 ? 8.127 0.343 -3.715 1.00 95.10 83 A 1 ATOM 677 C CG . GLU A 1 83 ? 8.867 1.518 -4.359 1.00 91.44 83 A 1 ATOM 678 C CD . GLU A 1 83 ? 10.388 1.536 -4.136 1.00 91.24 83 A 1 ATOM 679 O OE1 . GLU A 1 83 ? 11.034 2.470 -4.653 1.00 84.46 83 A 1 ATOM 680 O OE2 . GLU A 1 83 ? 10.951 0.708 -3.387 1.00 85.45 83 A 1 ATOM 681 N N . VAL A 1 84 ? 6.320 1.682 -1.398 1.00 96.71 84 A 1 ATOM 682 C CA . VAL A 1 84 ? 5.676 2.758 -0.630 1.00 97.30 84 A 1 ATOM 683 C C . VAL A 1 84 ? 6.209 2.804 0.806 1.00 97.37 84 A 1 ATOM 684 O O . VAL A 1 84 ? 6.582 3.869 1.289 1.00 97.22 84 A 1 ATOM 685 C CB . VAL A 1 84 ? 4.144 2.595 -0.625 1.00 97.74 84 A 1 ATOM 686 C CG1 . VAL A 1 84 ? 3.443 3.535 0.362 1.00 97.42 84 A 1 ATOM 687 C CG2 . VAL A 1 84 ? 3.559 2.879 -2.007 1.00 97.23 84 A 1 ATOM 688 N N . ILE A 1 85 ? 6.287 1.670 1.492 1.00 97.72 85 A 1 ATOM 689 C CA . ILE A 1 85 ? 6.813 1.584 2.860 1.00 97.58 85 A 1 ATOM 690 C C . ILE A 1 85 ? 8.283 2.014 2.916 1.00 96.98 85 A 1 ATOM 691 O O . ILE A 1 85 ? 8.689 2.670 3.868 1.00 96.26 85 A 1 ATOM 692 C CB . ILE A 1 85 ? 6.605 0.157 3.427 1.00 97.89 85 A 1 ATOM 693 C CG1 . ILE A 1 85 ? 5.104 -0.098 3.705 1.00 97.73 85 A 1 ATOM 694 C CG2 . ILE A 1 85 ? 7.414 -0.079 4.720 1.00 97.54 85 A 1 ATOM 695 C CD1 . ILE A 1 85 ? 4.757 -1.583 3.859 1.00 97.12 85 A 1 ATOM 696 N N . ARG A 1 86 ? 9.084 1.666 1.899 1.00 96.84 86 A 1 ATOM 697 C CA . ARG A 1 86 ? 10.496 2.059 1.808 1.00 96.25 86 A 1 ATOM 698 C C . ARG A 1 86 ? 10.663 3.573 1.630 1.00 96.16 86 A 1 ATOM 699 O O . ARG A 1 86 ? 11.457 4.176 2.343 1.00 95.63 86 A 1 ATOM 700 C CB . ARG A 1 86 ? 11.154 1.287 0.646 1.00 96.01 86 A 1 ATOM 701 C CG . ARG A 1 86 ? 12.672 1.469 0.603 1.00 92.70 86 A 1 ATOM 702 C CD . ARG A 1 86 ? 13.267 0.877 -0.679 1.00 89.81 86 A 1 ATOM 703 N NE . ARG A 1 86 ? 12.945 1.682 -1.874 1.00 83.15 86 A 1 ATOM 704 C CZ . ARG A 1 86 ? 13.508 2.820 -2.253 1.00 77.92 86 A 1 ATOM 705 N NH1 . ARG A 1 86 ? 14.435 3.402 -1.545 1.00 70.40 86 A 1 ATOM 706 N NH2 . ARG A 1 86 ? 13.149 3.394 -3.346 1.00 69.91 86 A 1 ATOM 707 N N . ILE A 1 87 ? 9.909 4.170 0.712 1.00 96.21 87 A 1 ATOM 708 C CA . ILE A 1 87 ? 9.941 5.613 0.433 1.00 95.86 87 A 1 ATOM 709 C C . ILE A 1 87 ? 9.408 6.418 1.619 1.00 95.83 87 A 1 ATOM 710 O O . ILE A 1 87 ? 9.994 7.419 2.003 1.00 95.31 87 A 1 ATOM 711 C CB . ILE A 1 87 ? 9.167 5.907 -0.874 1.00 95.78 87 A 1 ATOM 712 C CG1 . ILE A 1 87 ? 9.868 5.297 -2.117 1.00 94.29 87 A 1 ATOM 713 C CG2 . ILE A 1 87 ? 8.951 7.410 -1.087 1.00 94.46 87 A 1 ATOM 714 C CD1 . ILE A 1 87 ? 11.276 5.851 -2.436 1.00 87.74 87 A 1 ATOM 715 N N . TYR A 1 88 ? 8.334 5.945 2.243 1.00 96.94 88 A 1 ATOM 716 C CA . TYR A 1 88 ? 7.692 6.574 3.391 1.00 96.79 88 A 1 ATOM 717 C C . TYR A 1 88 ? 8.065 5.919 4.728 1.00 96.69 88 A 1 ATOM 718 O O . TYR A 1 88 ? 7.244 5.853 5.634 1.00 95.81 88 A 1 ATOM 719 C CB . TYR A 1 88 ? 6.183 6.657 3.146 1.00 96.56 88 A 1 ATOM 720 C CG . TYR A 1 88 ? 5.819 7.567 2.000 1.00 96.46 88 A 1 ATOM 721 C CD1 . TYR A 1 88 ? 5.983 8.953 2.161 1.00 95.06 88 A 1 ATOM 722 C CD2 . TYR A 1 88 ? 5.346 7.043 0.785 1.00 95.35 88 A 1 ATOM 723 C CE1 . TYR A 1 88 ? 5.679 9.827 1.106 1.00 94.40 88 A 1 ATOM 724 C CE2 . TYR A 1 88 ? 5.042 7.917 -0.279 1.00 94.66 88 A 1 ATOM 725 C CZ . TYR A 1 88 ? 5.213 9.304 -0.114 1.00 94.81 88 A 1 ATOM 726 O OH . TYR A 1 88 ? 4.943 10.164 -1.134 1.00 93.26 88 A 1 ATOM 727 N N . LYS A 1 89 ? 9.302 5.436 4.876 1.00 96.20 89 A 1 ATOM 728 C CA . LYS A 1 89 ? 9.766 4.730 6.079 1.00 95.74 89 A 1 ATOM 729 C C . LYS A 1 89 ? 9.539 5.512 7.379 1.00 96.10 89 A 1 ATOM 730 O O . LYS A 1 89 ? 9.209 4.906 8.385 1.00 95.52 89 A 1 ATOM 731 C CB . LYS A 1 89 ? 11.239 4.311 5.918 1.00 94.52 89 A 1 ATOM 732 C CG . LYS A 1 89 ? 12.188 5.519 5.854 1.00 90.28 89 A 1 ATOM 733 C CD . LYS A 1 89 ? 13.659 5.102 5.777 1.00 86.26 89 A 1 ATOM 734 C CE . LYS A 1 89 ? 14.479 6.382 5.902 1.00 77.61 89 A 1 ATOM 735 N NZ . LYS A 1 89 ? 15.929 6.104 5.997 1.00 68.58 89 A 1 ATOM 736 N N . ASP A 1 90 ? 9.637 6.846 7.326 1.00 96.08 90 A 1 ATOM 737 C CA . ASP A 1 90 ? 9.491 7.746 8.477 1.00 95.79 90 A 1 ATOM 738 C C . ASP A 1 90 ? 8.049 8.257 8.668 1.00 96.32 90 A 1 ATOM 739 O O . ASP A 1 90 ? 7.806 9.180 9.452 1.00 95.43 90 A 1 ATOM 740 C CB . ASP A 1 90 ? 10.471 8.921 8.334 1.00 93.96 90 A 1 ATOM 741 C CG . ASP A 1 90 ? 11.921 8.486 8.113 1.00 89.15 90 A 1 ATOM 742 O OD1 . ASP A 1 90 ? 12.391 7.562 8.818 1.00 84.13 90 A 1 ATOM 743 O OD2 . ASP A 1 90 ? 12.567 9.037 7.189 1.00 83.24 90 A 1 ATOM 744 N N . PHE A 1 91 ? 7.077 7.705 7.925 1.00 96.70 91 A 1 ATOM 745 C CA . PHE A 1 91 ? 5.664 8.053 8.001 1.00 97.01 91 A 1 ATOM 746 C C . PHE A 1 91 ? 4.864 6.927 8.643 1.00 97.54 91 A 1 ATOM 747 O O . PHE A 1 91 ? 5.086 5.736 8.404 1.00 97.30 91 A 1 ATOM 748 C CB . PHE A 1 91 ? 5.087 8.377 6.614 1.00 96.61 91 A 1 ATOM 749 C CG . PHE A 1 91 ? 5.460 9.739 6.067 1.00 96.29 91 A 1 ATOM 750 C CD1 . PHE A 1 91 ? 4.452 10.708 5.852 1.00 94.82 91 A 1 ATOM 751 C CD2 . PHE A 1 91 ? 6.787 10.053 5.737 1.00 95.08 91 A 1 ATOM 752 C CE1 . PHE A 1 91 ? 4.774 11.963 5.322 1.00 94.33 91 A 1 ATOM 753 C CE2 . PHE A 1 91 ? 7.112 11.317 5.212 1.00 94.45 91 A 1 ATOM 754 C CZ . PHE A 1 91 ? 6.113 12.269 5.001 1.00 94.67 91 A 1 ATOM 755 N N . ASN A 1 92 ? 3.844 7.299 9.422 1.00 97.67 92 A 1 ATOM 756 C CA . ASN A 1 92 ? 2.726 6.416 9.686 1.00 97.71 92 A 1 ATOM 757 C C . ASN A 1 92 ? 1.888 6.336 8.407 1.00 97.95 92 A 1 ATOM 758 O O . ASN A 1 92 ? 1.589 7.349 7.792 1.00 97.73 92 A 1 ATOM 759 C CB . ASN A 1 92 ? 1.910 6.918 10.881 1.00 97.74 92 A 1 ATOM 760 C CG . ASN A 1 92 ? 2.776 7.221 12.084 1.00 97.53 92 A 1 ATOM 761 O OD1 . ASN A 1 92 ? 3.090 6.362 12.896 1.00 94.05 92 A 1 ATOM 762 N ND2 . ASN A 1 92 ? 3.225 8.448 12.214 1.00 94.08 92 A 1 ATOM 763 N N . LEU A 1 93 ? 1.523 5.134 7.996 1.00 98.11 93 A 1 ATOM 764 C CA . LEU A 1 93 ? 0.725 4.901 6.794 1.00 98.20 93 A 1 ATOM 765 C C . LEU A 1 93 ? -0.621 4.331 7.211 1.00 98.33 93 A 1 ATOM 766 O O . LEU A 1 93 ? -0.657 3.377 7.979 1.00 98.13 93 A 1 ATOM 767 C CB . LEU A 1 93 ? 1.460 3.938 5.851 1.00 98.30 93 A 1 ATOM 768 C CG . LEU A 1 93 ? 2.818 4.431 5.330 1.00 97.97 93 A 1 ATOM 769 C CD1 . LEU A 1 93 ? 3.477 3.323 4.511 1.00 97.49 93 A 1 ATOM 770 C CD2 . LEU A 1 93 ? 2.670 5.660 4.444 1.00 97.47 93 A 1 ATOM 771 N N . TYR A 1 94 ? -1.725 4.863 6.683 1.00 98.19 94 A 1 ATOM 772 C CA . TYR A 1 94 ? -3.042 4.283 6.947 1.00 98.18 94 A 1 ATOM 773 C C . TYR A 1 94 ? -3.843 4.071 5.670 1.00 98.14 94 A 1 ATOM 774 O O . TYR A 1 94 ? -3.597 4.696 4.643 1.00 97.92 94 A 1 ATOM 775 C CB . TYR A 1 94 ? -3.809 5.111 7.992 1.00 97.66 94 A 1 ATOM 776 C CG . TYR A 1 94 ? -4.470 6.349 7.446 1.00 97.45 94 A 1 ATOM 777 C CD1 . TYR A 1 94 ? -3.688 7.475 7.121 1.00 96.19 94 A 1 ATOM 778 C CD2 . TYR A 1 94 ? -5.860 6.383 7.258 1.00 96.23 94 A 1 ATOM 779 C CE1 . TYR A 1 94 ? -4.303 8.625 6.610 1.00 94.84 94 A 1 ATOM 780 C CE2 . TYR A 1 94 ? -6.477 7.540 6.749 1.00 95.04 94 A 1 ATOM 781 C CZ . TYR A 1 94 ? -5.696 8.668 6.427 1.00 94.68 94 A 1 ATOM 782 O OH . TYR A 1 94 ? -6.280 9.780 5.930 1.00 92.75 94 A 1 ATOM 783 N N . LEU A 1 95 ? -4.801 3.165 5.736 1.00 97.82 95 A 1 ATOM 784 C CA . LEU A 1 95 ? -5.697 2.849 4.632 1.00 97.77 95 A 1 ATOM 785 C C . LEU A 1 95 ? -7.040 2.329 5.133 1.00 97.76 95 A 1 ATOM 786 O O . LEU A 1 95 ? -7.144 1.787 6.225 1.00 97.31 95 A 1 ATOM 787 C CB . LEU A 1 95 ? -5.011 1.854 3.678 1.00 97.27 95 A 1 ATOM 788 C CG . LEU A 1 95 ? -4.623 0.483 4.282 1.00 96.71 95 A 1 ATOM 789 C CD1 . LEU A 1 95 ? -5.752 -0.544 4.233 1.00 94.60 95 A 1 ATOM 790 C CD2 . LEU A 1 95 ? -3.448 -0.093 3.492 1.00 94.60 95 A 1 ATOM 791 N N . LEU A 1 96 ? -8.069 2.454 4.296 1.00 96.80 96 A 1 ATOM 792 C CA . LEU A 1 96 ? -9.363 1.816 4.495 1.00 96.29 96 A 1 ATOM 793 C C . LEU A 1 96 ? -9.398 0.492 3.720 1.00 95.92 96 A 1 ATOM 794 O O . LEU A 1 96 ? -9.183 0.483 2.512 1.00 95.50 96 A 1 ATOM 795 C CB . LEU A 1 96 ? -10.461 2.793 4.034 1.00 95.54 96 A 1 ATOM 796 C CG . LEU A 1 96 ? -11.892 2.254 4.204 1.00 90.90 96 A 1 ATOM 797 C CD1 . LEU A 1 96 ? -12.264 2.119 5.678 1.00 86.50 96 A 1 ATOM 798 C CD2 . LEU A 1 96 ? -12.891 3.213 3.555 1.00 87.82 96 A 1 ATOM 799 N N . CYS A 1 97 ? -9.695 -0.613 4.391 1.00 95.69 97 A 1 ATOM 800 C CA . CYS A 1 97 ? -9.925 -1.893 3.729 1.00 94.98 97 A 1 ATOM 801 C C . CYS A 1 97 ? -11.293 -1.884 3.026 1.00 94.05 97 A 1 ATOM 802 O O . CYS A 1 97 ? -12.283 -2.364 3.582 1.00 92.20 97 A 1 ATOM 803 C CB . CYS A 1 97 ? -9.825 -3.035 4.748 1.00 94.43 97 A 1 ATOM 804 S SG . CYS A 1 97 ? -8.153 -3.169 5.416 1.00 93.65 97 A 1 ATOM 805 N N . HIS A 1 98 ? -11.340 -1.331 1.818 1.00 94.29 98 A 1 ATOM 806 C CA . HIS A 1 98 ? -12.533 -1.297 0.988 1.00 92.32 98 A 1 ATOM 807 C C . HIS A 1 98 ? -12.318 -2.168 -0.265 1.00 91.62 98 A 1 ATOM 808 O O . HIS A 1 98 ? -11.630 -1.730 -1.191 1.00 89.14 98 A 1 ATOM 809 C CB . HIS A 1 98 ? -12.875 0.158 0.649 1.00 90.30 98 A 1 ATOM 810 C CG . HIS A 1 98 ? -14.193 0.273 -0.064 1.00 85.89 98 A 1 ATOM 811 N ND1 . HIS A 1 98 ? -15.433 0.054 0.490 1.00 75.66 98 A 1 ATOM 812 C CD2 . HIS A 1 98 ? -14.389 0.600 -1.375 1.00 73.81 98 A 1 ATOM 813 C CE1 . HIS A 1 98 ? -16.350 0.232 -0.464 1.00 71.66 98 A 1 ATOM 814 N NE2 . HIS A 1 98 ? -15.767 0.573 -1.618 1.00 73.67 98 A 1 ATOM 815 N N . PRO A 1 99 ? -12.812 -3.414 -0.276 1.00 91.48 99 A 1 ATOM 816 C CA . PRO A 1 99 ? -12.672 -4.275 -1.436 1.00 89.44 99 A 1 ATOM 817 C C . PRO A 1 99 ? -13.516 -3.745 -2.601 1.00 88.19 99 A 1 ATOM 818 O O . PRO A 1 99 ? -14.664 -3.348 -2.414 1.00 85.31 99 A 1 ATOM 819 C CB . PRO A 1 99 ? -13.141 -5.654 -0.973 1.00 86.52 99 A 1 ATOM 820 C CG . PRO A 1 99 ? -14.142 -5.341 0.139 1.00 85.71 99 A 1 ATOM 821 C CD . PRO A 1 99 ? -13.582 -4.068 0.767 1.00 89.81 99 A 1 ATOM 822 N N . MET A 1 100 ? -12.957 -3.754 -3.797 1.00 88.19 100 A 1 ATOM 823 C CA . MET A 1 100 ? -13.647 -3.414 -5.039 1.00 85.48 100 A 1 ATOM 824 C C . MET A 1 100 ? -13.359 -4.479 -6.098 1.00 84.43 100 A 1 ATOM 825 O O . MET A 1 100 ? -12.236 -4.980 -6.132 1.00 80.95 100 A 1 ATOM 826 C CB . MET A 1 100 ? -13.229 -2.021 -5.549 1.00 82.42 100 A 1 ATOM 827 C CG . MET A 1 100 ? -13.707 -0.900 -4.622 1.00 74.88 100 A 1 ATOM 828 S SD . MET A 1 100 ? -13.455 0.777 -5.265 1.00 69.24 100 A 1 ATOM 829 C CE . MET A 1 100 ? -14.676 0.805 -6.605 1.00 61.10 100 A 1 ATOM 830 N N . PRO A 1 101 ? -14.337 -4.808 -6.955 1.00 82.40 101 A 1 ATOM 831 C CA . PRO A 1 101 ? -14.112 -5.682 -8.099 1.00 80.15 101 A 1 ATOM 832 C C . PRO A 1 101 ? -13.027 -5.120 -9.023 1.00 79.40 101 A 1 ATOM 833 O O . PRO A 1 101 ? -12.941 -3.910 -9.233 1.00 74.71 101 A 1 ATOM 834 C CB . PRO A 1 101 ? -15.458 -5.794 -8.823 1.00 77.36 101 A 1 ATOM 835 C CG . PRO A 1 101 ? -16.475 -5.445 -7.748 1.00 76.39 101 A 1 ATOM 836 C CD . PRO A 1 101 ? -15.743 -4.421 -6.890 1.00 79.90 101 A 1 ATOM 837 N N . ARG A 1 102 ? -12.223 -6.002 -9.610 1.00 75.78 102 A 1 ATOM 838 C CA . ARG A 1 102 ? -11.193 -5.654 -10.601 1.00 73.95 102 A 1 ATOM 839 C C . ARG A 1 102 ? -11.767 -5.755 -12.024 1.00 72.77 102 A 1 ATOM 840 O O . ARG A 1 102 ? -11.267 -6.509 -12.859 1.00 68.12 102 A 1 ATOM 841 C CB . ARG A 1 102 ? -9.944 -6.523 -10.412 1.00 71.27 102 A 1 ATOM 842 C CG . ARG A 1 102 ? -9.324 -6.392 -9.014 1.00 69.14 102 A 1 ATOM 843 C CD . ARG A 1 102 ? -8.037 -7.203 -9.001 1.00 67.01 102 A 1 ATOM 844 N NE . ARG A 1 102 ? -7.454 -7.290 -7.645 1.00 64.13 102 A 1 ATOM 845 C CZ . ARG A 1 102 ? -7.407 -8.373 -6.889 1.00 59.97 102 A 1 ATOM 846 N NH1 . ARG A 1 102 ? -7.974 -9.498 -7.251 1.00 56.57 102 A 1 ATOM 847 N NH2 . ARG A 1 102 ? -6.769 -8.342 -5.763 1.00 53.67 102 A 1 ATOM 848 N N . GLY A 1 103 ? -12.848 -5.028 -12.274 1.00 70.38 103 A 1 ATOM 849 C CA . GLY A 1 103 ? -13.626 -5.085 -13.510 1.00 69.49 103 A 1 ATOM 850 C C . GLY A 1 103 ? -14.982 -5.773 -13.337 1.00 70.27 103 A 1 ATOM 851 O O . GLY A 1 103 ? -15.336 -6.234 -12.259 1.00 65.81 103 A 1 ATOM 852 N N . HIS A 1 104 ? -15.762 -5.803 -14.416 1.00 65.70 104 A 1 ATOM 853 C CA . HIS A 1 104 ? -17.184 -6.178 -14.377 1.00 64.14 104 A 1 ATOM 854 C C . HIS A 1 104 ? -17.466 -7.659 -14.039 1.00 62.52 104 A 1 ATOM 855 O O . HIS A 1 104 ? -18.578 -7.967 -13.651 1.00 58.25 104 A 1 ATOM 856 C CB . HIS A 1 104 ? -17.840 -5.805 -15.713 1.00 60.37 104 A 1 ATOM 857 C CG . HIS A 1 104 ? -18.053 -4.317 -15.871 1.00 55.82 104 A 1 ATOM 858 N ND1 . HIS A 1 104 ? -18.967 -3.561 -15.168 1.00 50.84 104 A 1 ATOM 859 C CD2 . HIS A 1 104 ? -17.393 -3.461 -16.710 1.00 48.57 104 A 1 ATOM 860 C CE1 . HIS A 1 104 ? -18.861 -2.290 -15.575 1.00 46.69 104 A 1 ATOM 861 N NE2 . HIS A 1 104 ? -17.909 -2.180 -16.514 1.00 49.11 104 A 1 ATOM 862 N N . TYR A 1 105 ? -16.471 -8.531 -14.164 1.00 60.04 105 A 1 ATOM 863 C CA . TYR A 1 105 ? -16.635 -9.981 -14.022 1.00 59.90 105 A 1 ATOM 864 C C . TYR A 1 105 ? -15.801 -10.587 -12.876 1.00 61.77 105 A 1 ATOM 865 O O . TYR A 1 105 ? -15.703 -11.805 -12.769 1.00 56.80 105 A 1 ATOM 866 C CB . TYR A 1 105 ? -16.337 -10.657 -15.370 1.00 53.74 105 A 1 ATOM 867 C CG . TYR A 1 105 ? -17.190 -10.138 -16.513 1.00 48.94 105 A 1 ATOM 868 C CD1 . TYR A 1 105 ? -18.549 -10.508 -16.595 1.00 44.88 105 A 1 ATOM 869 C CD2 . TYR A 1 105 ? -16.638 -9.292 -17.486 1.00 43.30 105 A 1 ATOM 870 C CE1 . TYR A 1 105 ? -19.359 -10.032 -17.651 1.00 36.97 105 A 1 ATOM 871 C CE2 . TYR A 1 105 ? -17.436 -8.810 -18.540 1.00 40.14 105 A 1 ATOM 872 C CZ . TYR A 1 105 ? -18.793 -9.185 -18.616 1.00 39.45 105 A 1 ATOM 873 O OH . TYR A 1 105 ? -19.570 -8.717 -19.645 1.00 37.96 105 A 1 ATOM 874 N N . ASP A 1 106 ? -15.195 -9.761 -12.009 1.00 65.21 106 A 1 ATOM 875 C CA . ASP A 1 106 ? -14.414 -10.259 -10.872 1.00 65.75 106 A 1 ATOM 876 C C . ASP A 1 106 ? -15.324 -10.579 -9.679 1.00 66.31 106 A 1 ATOM 877 O O . ASP A 1 106 ? -15.511 -9.779 -8.756 1.00 62.38 106 A 1 ATOM 878 C CB . ASP A 1 106 ? -13.275 -9.293 -10.511 1.00 61.57 106 A 1 ATOM 879 C CG . ASP A 1 106 ? -12.353 -9.833 -9.399 1.00 57.13 106 A 1 ATOM 880 O OD1 . ASP A 1 106 ? -12.485 -11.009 -9.004 1.00 54.84 106 A 1 ATOM 881 O OD2 . ASP A 1 106 ? -11.491 -9.057 -8.927 1.00 54.63 106 A 1 ATOM 882 N N . GLU A 1 107 ? -15.893 -11.781 -9.684 1.00 65.10 107 A 1 ATOM 883 C CA . GLU A 1 107 ? -16.712 -12.307 -8.574 1.00 65.96 107 A 1 ATOM 884 C C . GLU A 1 107 ? -15.859 -12.818 -7.396 1.00 67.65 107 A 1 ATOM 885 O O . GLU A 1 107 ? -16.376 -13.093 -6.312 1.00 62.98 107 A 1 ATOM 886 C CB . GLU A 1 107 ? -17.637 -13.414 -9.098 1.00 61.13 107 A 1 ATOM 887 C CG . GLU A 1 107 ? -18.621 -12.901 -10.175 1.00 53.87 107 A 1 ATOM 888 C CD . GLU A 1 107 ? -19.640 -13.964 -10.617 1.00 48.78 107 A 1 ATOM 889 O OE1 . GLU A 1 107 ? -20.581 -13.579 -11.339 1.00 45.07 107 A 1 ATOM 890 O OE2 . GLU A 1 107 ? -19.481 -15.141 -10.220 1.00 45.70 107 A 1 ATOM 891 N N . SER A 1 108 ? -14.532 -12.925 -7.573 1.00 70.96 108 A 1 ATOM 892 C CA . SER A 1 108 ? -13.594 -13.521 -6.608 1.00 70.57 108 A 1 ATOM 893 C C . SER A 1 108 ? -12.765 -12.488 -5.826 1.00 72.74 108 A 1 ATOM 894 O O . SER A 1 108 ? -11.771 -12.833 -5.183 1.00 68.05 108 A 1 ATOM 895 C CB . SER A 1 108 ? -12.718 -14.551 -7.327 1.00 65.64 108 A 1 ATOM 896 O OG . SER A 1 108 ? -11.750 -13.940 -8.146 1.00 58.55 108 A 1 ATOM 897 N N . HIS A 1 109 ? -13.175 -11.203 -5.885 1.00 75.56 109 A 1 ATOM 898 C CA . HIS A 1 109 ? -12.466 -10.117 -5.219 1.00 75.87 109 A 1 ATOM 899 C C . HIS A 1 109 ? -12.376 -10.321 -3.700 1.00 79.47 109 A 1 ATOM 900 O O . HIS A 1 109 ? -13.190 -10.998 -3.070 1.00 76.95 109 A 1 ATOM 901 C CB . HIS A 1 109 ? -13.081 -8.757 -5.591 1.00 69.70 109 A 1 ATOM 902 C CG . HIS A 1 109 ? -14.476 -8.529 -5.068 1.00 63.48 109 A 1 ATOM 903 N ND1 . HIS A 1 109 ? -15.640 -8.925 -5.679 1.00 57.04 109 A 1 ATOM 904 C CD2 . HIS A 1 109 ? -14.823 -7.868 -3.920 1.00 54.87 109 A 1 ATOM 905 C CE1 . HIS A 1 109 ? -16.665 -8.514 -4.919 1.00 51.59 109 A 1 ATOM 906 N NE2 . HIS A 1 109 ? -16.220 -7.863 -3.838 1.00 52.78 109 A 1 ATOM 907 N N . LYS A 1 110 ? -11.338 -9.734 -3.095 1.00 84.01 110 A 1 ATOM 908 C CA . LYS A 1 110 ? -11.053 -9.921 -1.672 1.00 86.23 110 A 1 ATOM 909 C C . LYS A 1 110 ? -12.177 -9.359 -0.799 1.00 88.16 110 A 1 ATOM 910 O O . LYS A 1 110 ? -12.705 -8.298 -1.065 1.00 86.41 110 A 1 ATOM 911 C CB . LYS A 1 110 ? -9.711 -9.275 -1.295 1.00 84.27 110 A 1 ATOM 912 C CG . LYS A 1 110 ? -8.488 -9.847 -2.029 1.00 80.80 110 A 1 ATOM 913 C CD . LYS A 1 110 ? -8.287 -11.343 -1.765 1.00 76.90 110 A 1 ATOM 914 C CE . LYS A 1 110 ? -7.031 -11.836 -2.497 1.00 72.39 110 A 1 ATOM 915 N NZ . LYS A 1 110 ? -6.940 -13.315 -2.468 1.00 64.76 110 A 1 ATOM 916 N N . THR A 1 111 ? -12.455 -10.030 0.308 1.00 90.07 111 A 1 ATOM 917 C CA . THR A 1 111 ? -13.281 -9.490 1.399 1.00 91.17 111 A 1 ATOM 918 C C . THR A 1 111 ? -12.475 -8.529 2.273 1.00 92.85 111 A 1 ATOM 919 O O . THR A 1 111 ? -11.236 -8.520 2.248 1.00 93.08 111 A 1 ATOM 920 C CB . THR A 1 111 ? -13.872 -10.618 2.257 1.00 90.65 111 A 1 ATOM 921 O OG1 . THR A 1 111 ? -12.858 -11.245 2.998 1.00 89.77 111 A 1 ATOM 922 C CG2 . THR A 1 111 ? -14.623 -11.678 1.452 1.00 88.36 111 A 1 ATOM 923 N N . VAL A 1 112 ? -13.149 -7.762 3.141 1.00 93.18 112 A 1 ATOM 924 C CA . VAL A 1 112 ? -12.487 -6.944 4.169 1.00 94.18 112 A 1 ATOM 925 C C . VAL A 1 112 ? -11.539 -7.787 5.042 1.00 95.29 112 A 1 ATOM 926 O O . VAL A 1 112 ? -10.438 -7.346 5.376 1.00 95.30 112 A 1 ATOM 927 C CB . VAL A 1 112 ? -13.539 -6.254 5.070 1.00 93.73 112 A 1 ATOM 928 C CG1 . VAL A 1 112 ? -12.896 -5.509 6.240 1.00 91.81 112 A 1 ATOM 929 C CG2 . VAL A 1 112 ? -14.368 -5.254 4.264 1.00 91.87 112 A 1 ATOM 930 N N . LYS A 1 113 ? -11.933 -9.010 5.390 1.00 94.71 113 A 1 ATOM 931 C CA . LYS A 1 113 ? -11.111 -9.938 6.179 1.00 94.79 113 A 1 ATOM 932 C C . LYS A 1 113 ? -9.843 -10.335 5.429 1.00 95.44 113 A 1 ATOM 933 O O . LYS A 1 113 ? -8.764 -10.355 6.025 1.00 95.35 113 A 1 ATOM 934 C CB . LYS A 1 113 ? -11.964 -11.159 6.556 1.00 94.43 113 A 1 ATOM 935 C CG . LYS A 1 113 ? -11.225 -12.152 7.467 1.00 84.83 113 A 1 ATOM 936 C CD . LYS A 1 113 ? -12.126 -13.343 7.805 1.00 82.42 113 A 1 ATOM 937 C CE . LYS A 1 113 ? -11.409 -14.360 8.683 1.00 74.17 113 A 1 ATOM 938 N NZ . LYS A 1 113 ? -12.286 -15.533 8.990 1.00 65.79 113 A 1 ATOM 939 N N . ASP A 1 114 ? -9.947 -10.594 4.133 1.00 94.76 114 A 1 ATOM 940 C CA . ASP A 1 114 ? -8.796 -10.943 3.295 1.00 94.44 114 A 1 ATOM 941 C C . ASP A 1 114 ? -7.829 -9.767 3.145 1.00 95.70 114 A 1 ATOM 942 O O . ASP A 1 114 ? -6.622 -9.956 3.267 1.00 95.85 114 A 1 ATOM 943 C CB . ASP A 1 114 ? -9.257 -11.394 1.903 1.00 93.00 114 A 1 ATOM 944 C CG . ASP A 1 114 ? -10.119 -12.637 1.978 1.00 90.81 114 A 1 ATOM 945 O OD1 . ASP A 1 114 ? -9.695 -13.586 2.672 1.00 88.66 114 A 1 ATOM 946 O OD2 . ASP A 1 114 ? -11.216 -12.589 1.375 1.00 87.48 114 A 1 ATOM 947 N N . LEU A 1 115 ? -8.359 -8.547 2.955 1.00 95.06 115 A 1 ATOM 948 C CA . LEU A 1 115 ? -7.558 -7.327 2.912 1.00 95.50 115 A 1 ATOM 949 C C . LEU A 1 115 ? -6.843 -7.078 4.242 1.00 96.55 115 A 1 ATOM 950 O O . LEU A 1 115 ? -5.636 -6.843 4.245 1.00 96.92 115 A 1 ATOM 951 C CB . LEU A 1 115 ? -8.429 -6.120 2.539 1.00 95.15 115 A 1 ATOM 952 C CG . LEU A 1 115 ? -8.984 -6.117 1.105 1.00 93.79 115 A 1 ATOM 953 C CD1 . LEU A 1 115 ? -9.721 -4.796 0.883 1.00 92.56 115 A 1 ATOM 954 C CD2 . LEU A 1 115 ? -7.901 -6.241 0.037 1.00 92.12 115 A 1 ATOM 955 N N . ARG A 1 116 ? -7.534 -7.212 5.375 1.00 96.97 116 A 1 ATOM 956 C CA . ARG A 1 116 ? -6.906 -7.098 6.705 1.00 97.13 116 A 1 ATOM 957 C C . ARG A 1 116 ? -5.775 -8.110 6.886 1.00 97.52 116 A 1 ATOM 958 O O . ARG A 1 116 ? -4.711 -7.751 7.376 1.00 97.56 116 A 1 ATOM 959 C CB . ARG A 1 116 ? -7.953 -7.279 7.812 1.00 97.01 116 A 1 ATOM 960 C CG . ARG A 1 116 ? -8.800 -6.015 8.024 1.00 94.76 116 A 1 ATOM 961 C CD . ARG A 1 116 ? -9.832 -6.261 9.127 1.00 92.78 116 A 1 ATOM 962 N NE . ARG A 1 116 ? -10.529 -5.020 9.515 1.00 87.55 116 A 1 ATOM 963 C CZ . ARG A 1 116 ? -11.502 -4.903 10.407 1.00 82.61 116 A 1 ATOM 964 N NH1 . ARG A 1 116 ? -12.000 -5.931 11.032 1.00 79.18 116 A 1 ATOM 965 N NH2 . ARG A 1 116 ? -11.993 -3.732 10.694 1.00 76.42 116 A 1 ATOM 966 N N . ARG A 1 117 ? -5.972 -9.353 6.459 1.00 97.40 117 A 1 ATOM 967 C CA . ARG A 1 117 ? -4.922 -10.384 6.495 1.00 97.47 117 A 1 ATOM 968 C C . ARG A 1 117 ? -3.749 -10.022 5.582 1.00 97.73 117 A 1 ATOM 969 O O . ARG A 1 117 ? -2.610 -10.241 5.967 1.00 97.45 117 A 1 ATOM 970 C CB . ARG A 1 117 ? -5.524 -11.741 6.127 1.00 97.04 117 A 1 ATOM 971 C CG . ARG A 1 117 ? -4.506 -12.880 6.307 1.00 85.93 117 A 1 ATOM 972 C CD . ARG A 1 117 ? -5.140 -14.225 5.925 1.00 85.68 117 A 1 ATOM 973 N NE . ARG A 1 117 ? -4.199 -15.348 6.128 1.00 74.21 117 A 1 ATOM 974 C CZ . ARG A 1 117 ? -4.388 -16.599 5.761 1.00 67.76 117 A 1 ATOM 975 N NH1 . ARG A 1 117 ? -5.462 -16.973 5.138 1.00 60.60 117 A 1 ATOM 976 N NH2 . ARG A 1 117 ? -3.491 -17.508 6.029 1.00 56.06 117 A 1 ATOM 977 N N . PHE A 1 118 ? -4.015 -9.507 4.388 1.00 96.98 118 A 1 ATOM 978 C CA . PHE A 1 118 ? -3.001 -9.090 3.435 1.00 96.87 118 A 1 ATOM 979 C C . PHE A 1 118 ? -2.149 -7.928 3.971 1.00 97.59 118 A 1 ATOM 980 O O . PHE A 1 118 ? -0.937 -8.077 4.083 1.00 97.58 118 A 1 ATOM 981 C CB . PHE A 1 118 ? -3.669 -8.744 2.098 1.00 96.43 118 A 1 ATOM 982 C CG . PHE A 1 118 ? -2.724 -8.119 1.092 1.00 96.40 118 A 1 ATOM 983 C CD1 . PHE A 1 118 ? -2.846 -6.757 0.769 1.00 95.30 118 A 1 ATOM 984 C CD2 . PHE A 1 118 ? -1.709 -8.898 0.513 1.00 95.40 118 A 1 ATOM 985 C CE1 . PHE A 1 118 ? -1.954 -6.170 -0.140 1.00 94.78 118 A 1 ATOM 986 C CE2 . PHE A 1 118 ? -0.819 -8.308 -0.395 1.00 94.65 118 A 1 ATOM 987 C CZ . PHE A 1 118 ? -0.944 -6.943 -0.725 1.00 94.91 118 A 1 ATOM 988 N N . TYR A 1 119 ? -2.777 -6.829 4.386 1.00 97.98 119 A 1 ATOM 989 C CA . TYR A 1 119 ? -2.066 -5.672 4.938 1.00 98.16 119 A 1 ATOM 990 C C . TYR A 1 119 ? -1.384 -5.983 6.275 1.00 98.31 119 A 1 ATOM 991 O O . TYR A 1 119 ? -0.302 -5.468 6.548 1.00 98.22 119 A 1 ATOM 992 C CB . TYR A 1 119 ? -3.028 -4.493 5.062 1.00 98.01 119 A 1 ATOM 993 C CG . TYR A 1 119 ? -3.582 -3.989 3.748 1.00 97.83 119 A 1 ATOM 994 C CD1 . TYR A 1 119 ? -2.718 -3.583 2.718 1.00 96.91 119 A 1 ATOM 995 C CD2 . TYR A 1 119 ? -4.977 -3.908 3.547 1.00 96.92 119 A 1 ATOM 996 C CE1 . TYR A 1 119 ? -3.226 -3.111 1.494 1.00 96.19 119 A 1 ATOM 997 C CE2 . TYR A 1 119 ? -5.492 -3.434 2.337 1.00 96.08 119 A 1 ATOM 998 C CZ . TYR A 1 119 ? -4.625 -3.033 1.305 1.00 96.26 119 A 1 ATOM 999 O OH . TYR A 1 119 ? -5.120 -2.575 0.127 1.00 94.85 119 A 1 ATOM 1000 N N . GLY A 1 120 ? -1.944 -6.888 7.080 1.00 98.16 120 A 1 ATOM 1001 C CA . GLY A 1 120 ? -1.322 -7.357 8.315 1.00 98.17 120 A 1 ATOM 1002 C C . GLY A 1 120 ? 0.064 -7.976 8.103 1.00 98.37 120 A 1 ATOM 1003 O O . GLY A 1 120 ? 0.972 -7.729 8.896 1.00 97.96 120 A 1 ATOM 1004 N N . LYS A 1 121 ? 0.282 -8.690 6.994 1.00 97.95 121 A 1 ATOM 1005 C CA . LYS A 1 121 ? 1.610 -9.224 6.629 1.00 97.68 121 A 1 ATOM 1006 C C . LYS A 1 121 ? 2.645 -8.122 6.347 1.00 97.89 121 A 1 ATOM 1007 O O . LYS A 1 121 ? 3.841 -8.385 6.435 1.00 97.14 121 A 1 ATOM 1008 C CB . LYS A 1 121 ? 1.512 -10.116 5.388 1.00 96.90 121 A 1 ATOM 1009 C CG . LYS A 1 121 ? 0.696 -11.389 5.613 1.00 93.67 121 A 1 ATOM 1010 C CD . LYS A 1 121 ? 0.598 -12.155 4.288 1.00 89.44 121 A 1 ATOM 1011 C CE . LYS A 1 121 ? -0.182 -13.449 4.443 1.00 83.26 121 A 1 ATOM 1012 N NZ . LYS A 1 121 ? -0.116 -14.247 3.187 1.00 73.96 121 A 1 ATOM 1013 N N . LEU A 1 122 ? 2.203 -6.916 6.017 1.00 97.81 122 A 1 ATOM 1014 C CA . LEU A 1 122 ? 3.041 -5.742 5.781 1.00 97.87 122 A 1 ATOM 1015 C C . LEU A 1 122 ? 3.160 -4.850 7.030 1.00 98.11 122 A 1 ATOM 1016 O O . LEU A 1 122 ? 3.691 -3.745 6.953 1.00 97.68 122 A 1 ATOM 1017 C CB . LEU A 1 122 ? 2.500 -4.986 4.558 1.00 97.82 122 A 1 ATOM 1018 C CG . LEU A 1 122 ? 2.476 -5.810 3.253 1.00 97.21 122 A 1 ATOM 1019 C CD1 . LEU A 1 122 ? 1.789 -4.999 2.163 1.00 95.74 122 A 1 ATOM 1020 C CD2 . LEU A 1 122 ? 3.878 -6.175 2.776 1.00 95.59 122 A 1 ATOM 1021 N N . GLY A 1 123 ? 2.690 -5.319 8.185 1.00 98.02 123 A 1 ATOM 1022 C CA . GLY A 1 123 ? 2.794 -4.620 9.465 1.00 97.94 123 A 1 ATOM 1023 C C . GLY A 1 123 ? 1.692 -3.598 9.748 1.00 98.20 123 A 1 ATOM 1024 O O . GLY A 1 123 ? 1.846 -2.786 10.660 1.00 97.79 123 A 1 ATOM 1025 N N . PHE A 1 124 ? 0.598 -3.617 8.980 1.00 98.13 124 A 1 ATOM 1026 C CA . PHE A 1 124 ? -0.583 -2.823 9.297 1.00 98.32 124 A 1 ATOM 1027 C C . PHE A 1 124 ? -1.415 -3.504 10.390 1.00 98.29 124 A 1 ATOM 1028 O O . PHE A 1 124 ? -1.641 -4.711 10.370 1.00 97.96 124 A 1 ATOM 1029 C CB . PHE A 1 124 ? -1.439 -2.569 8.052 1.00 98.36 124 A 1 ATOM 1030 C CG . PHE A 1 124 ? -0.827 -1.617 7.052 1.00 98.51 124 A 1 ATOM 1031 C CD1 . PHE A 1 124 ? -1.254 -0.273 6.991 1.00 97.86 124 A 1 ATOM 1032 C CD2 . PHE A 1 124 ? 0.167 -2.065 6.160 1.00 97.93 124 A 1 ATOM 1033 C CE1 . PHE A 1 124 ? -0.684 0.614 6.060 1.00 97.65 124 A 1 ATOM 1034 C CE2 . PHE A 1 124 ? 0.746 -1.175 5.234 1.00 97.62 124 A 1 ATOM 1035 C CZ . PHE A 1 124 ? 0.313 0.159 5.190 1.00 98.24 124 A 1 ATOM 1036 N N . VAL A 1 125 ? -1.936 -2.702 11.329 1.00 98.14 125 A 1 ATOM 1037 C CA . VAL A 1 125 ? -2.801 -3.149 12.426 1.00 98.01 125 A 1 ATOM 1038 C C . VAL A 1 125 ? -4.142 -2.402 12.388 1.00 98.22 125 A 1 ATOM 1039 O O . VAL A 1 125 ? -4.177 -1.251 11.948 1.00 97.98 125 A 1 ATOM 1040 C CB . VAL A 1 125 ? -2.115 -3.004 13.798 1.00 97.52 125 A 1 ATOM 1041 C CG1 . VAL A 1 125 ? -0.852 -3.872 13.869 1.00 94.88 125 A 1 ATOM 1042 C CG2 . VAL A 1 125 ? -1.740 -1.557 14.146 1.00 93.95 125 A 1 ATOM 1043 N N . PRO A 1 126 ? -5.259 -3.004 12.823 1.00 97.85 126 A 1 ATOM 1044 C CA . PRO A 1 126 ? -6.551 -2.323 12.878 1.00 97.58 126 A 1 ATOM 1045 C C . PRO A 1 126 ? -6.514 -1.084 13.783 1.00 97.54 126 A 1 ATOM 1046 O O . PRO A 1 126 ? -5.965 -1.143 14.877 1.00 96.89 126 A 1 ATOM 1047 C CB . PRO A 1 126 ? -7.553 -3.356 13.393 1.00 96.95 126 A 1 ATOM 1048 C CG . PRO A 1 126 ? -6.904 -4.687 13.041 1.00 95.90 126 A 1 ATOM 1049 C CD . PRO A 1 126 ? -5.414 -4.400 13.204 1.00 97.42 126 A 1 ATOM 1050 N N . CYS A 1 127 ? -7.177 0.013 13.363 1.00 97.02 127 A 1 ATOM 1051 C CA . CYS A 1 127 ? -7.285 1.243 14.163 1.00 96.56 127 A 1 ATOM 1052 C C . CYS A 1 127 ? -8.292 1.145 15.324 1.00 95.71 127 A 1 ATOM 1053 O O . CYS A 1 127 ? -8.350 2.055 16.147 1.00 92.20 127 A 1 ATOM 1054 C CB . CYS A 1 127 ? -7.648 2.417 13.240 1.00 95.74 127 A 1 ATOM 1055 S SG . CYS A 1 127 ? -6.294 2.723 12.067 1.00 93.87 127 A 1 ATOM 1056 N N . GLY A 1 128 ? -9.096 0.081 15.401 1.00 95.51 128 A 1 ATOM 1057 C CA . GLY A 1 128 ? -10.110 -0.083 16.449 1.00 94.59 128 A 1 ATOM 1058 C C . GLY A 1 128 ? -11.403 0.705 16.221 1.00 94.35 128 A 1 ATOM 1059 O O . GLY A 1 128 ? -12.204 0.847 17.134 1.00 90.36 128 A 1 ATOM 1060 N N . GLU A 1 129 ? -11.626 1.214 15.003 1.00 93.70 129 A 1 ATOM 1061 C CA . GLU A 1 129 ? -12.822 1.973 14.616 1.00 93.14 129 A 1 ATOM 1062 C C . GLU A 1 129 ? -13.895 1.078 13.977 1.00 93.54 129 A 1 ATOM 1063 O O . GLU A 1 129 ? -13.633 -0.064 13.574 1.00 90.51 129 A 1 ATOM 1064 C CB . GLU A 1 129 ? -12.432 3.085 13.635 1.00 89.54 129 A 1 ATOM 1065 C CG . GLU A 1 129 ? -11.384 4.057 14.200 1.00 85.53 129 A 1 ATOM 1066 C CD . GLU A 1 129 ? -11.101 5.182 13.204 1.00 87.49 129 A 1 ATOM 1067 O OE1 . GLU A 1 129 ? -10.898 6.333 13.626 1.00 81.51 129 A 1 ATOM 1068 O OE2 . GLU A 1 129 ? -11.159 4.944 11.970 1.00 84.28 129 A 1 ATOM 1069 N N . LEU A 1 130 ? -15.118 1.623 13.828 1.00 91.59 130 A 1 ATOM 1070 C CA . LEU A 1 130 ? -16.216 0.975 13.098 1.00 90.31 130 A 1 ATOM 1071 C C . LEU A 1 130 ? -15.840 0.691 11.635 1.00 90.36 130 A 1 ATOM 1072 O O . LEU A 1 130 ? -16.121 -0.387 11.107 1.00 89.65 130 A 1 ATOM 1073 C CB . LEU A 1 130 ? -17.454 1.885 13.178 1.00 90.50 130 A 1 ATOM 1074 C CG . LEU A 1 130 ? -18.701 1.320 12.460 1.00 80.90 130 A 1 ATOM 1075 C CD1 . LEU A 1 130 ? -19.209 0.045 13.126 1.00 76.38 130 A 1 ATOM 1076 C CD2 . LEU A 1 130 ? -19.817 2.357 12.480 1.00 78.64 130 A 1 ATOM 1077 N N . LEU A 1 131 ? -15.182 1.656 10.979 1.00 92.61 131 A 1 ATOM 1078 C CA . LEU A 1 131 ? -14.643 1.461 9.640 1.00 92.76 131 A 1 ATOM 1079 C C . LEU A 1 131 ? -13.437 0.508 9.683 1.00 93.36 131 A 1 ATOM 1080 O O . LEU A 1 131 ? -12.647 0.554 10.629 1.00 93.48 131 A 1 ATOM 1081 C CB . LEU A 1 131 ? -14.278 2.813 9.014 1.00 91.52 131 A 1 ATOM 1082 C CG . LEU A 1 131 ? -15.483 3.728 8.723 1.00 86.88 131 A 1 ATOM 1083 C CD1 . LEU A 1 131 ? -14.976 5.052 8.149 1.00 82.41 131 A 1 ATOM 1084 C CD2 . LEU A 1 131 ? -16.460 3.111 7.725 1.00 82.50 131 A 1 ATOM 1085 N N . PRO A 1 132 ? -13.246 -0.331 8.659 1.00 95.39 132 A 1 ATOM 1086 C CA . PRO A 1 132 ? -12.144 -1.288 8.622 1.00 95.42 132 A 1 ATOM 1087 C C . PRO A 1 132 ? -10.801 -0.622 8.262 1.00 96.22 132 A 1 ATOM 1088 O O . PRO A 1 132 ? -10.103 -1.049 7.345 1.00 95.50 132 A 1 ATOM 1089 C CB . PRO A 1 132 ? -12.616 -2.363 7.637 1.00 94.52 132 A 1 ATOM 1090 C CG . PRO A 1 132 ? -13.428 -1.571 6.631 1.00 93.00 132 A 1 ATOM 1091 C CD . PRO A 1 132 ? -14.111 -0.516 7.503 1.00 95.03 132 A 1 ATOM 1092 N N . THR A 1 133 ? -10.446 0.445 8.977 1.00 96.96 133 A 1 ATOM 1093 C CA . THR A 1 133 ? -9.194 1.179 8.804 1.00 97.13 133 A 1 ATOM 1094 C C . THR A 1 133 ? -8.040 0.432 9.461 1.00 97.41 133 A 1 ATOM 1095 O O . THR A 1 133 ? -8.174 -0.143 10.544 1.00 97.08 133 A 1 ATOM 1096 C CB . THR A 1 133 ? -9.303 2.613 9.344 1.00 96.70 133 A 1 ATOM 1097 O OG1 . THR A 1 133 ? -10.463 3.234 8.843 1.00 93.74 133 A 1 ATOM 1098 C CG2 . THR A 1 133 ? -8.128 3.478 8.912 1.00 93.17 133 A 1 ATOM 1099 N N . MET A 1 134 ? -6.890 0.433 8.796 1.00 97.78 134 A 1 ATOM 1100 C CA . MET A 1 134 ? -5.643 -0.113 9.312 1.00 98.01 134 A 1 ATOM 1101 C C . MET A 1 134 ? -4.538 0.934 9.233 1.00 98.02 134 A 1 ATOM 1102 O O . MET A 1 134 ? -4.510 1.748 8.316 1.00 97.77 134 A 1 ATOM 1103 C CB . MET A 1 134 ? -5.232 -1.377 8.550 1.00 98.11 134 A 1 ATOM 1104 C CG . MET A 1 134 ? -6.253 -2.506 8.670 1.00 97.49 134 A 1 ATOM 1105 S SD . MET A 1 134 ? -5.712 -4.052 7.901 1.00 97.09 134 A 1 ATOM 1106 C CE . MET A 1 134 ? -4.514 -4.650 9.115 1.00 93.63 134 A 1 ATOM 1107 N N . ILE A 1 135 ? -3.602 0.887 10.175 1.00 98.28 135 A 1 ATOM 1108 C CA . ILE A 1 135 ? -2.447 1.777 10.255 1.00 98.38 135 A 1 ATOM 1109 C C . ILE A 1 135 ? -1.163 0.972 10.438 1.00 98.45 135 A 1 ATOM 1110 O O . ILE A 1 135 ? -1.128 -0.028 11.149 1.00 98.22 135 A 1 ATOM 1111 C CB . ILE A 1 135 ? -2.662 2.844 11.354 1.00 97.97 135 A 1 ATOM 1112 C CG1 . ILE A 1 135 ? -1.602 3.963 11.264 1.00 96.52 135 A 1 ATOM 1113 C CG2 . ILE A 1 135 ? -2.685 2.219 12.764 1.00 96.03 135 A 1 ATOM 1114 C CD1 . ILE A 1 135 ? -1.958 5.200 12.088 1.00 93.68 135 A 1 ATOM 1115 N N . ARG A 1 136 ? -0.088 1.434 9.811 1.00 98.26 136 A 1 ATOM 1116 C CA . ARG A 1 136 ? 1.288 1.009 10.053 1.00 98.37 136 A 1 ATOM 1117 C C . ARG A 1 136 ? 2.030 2.180 10.680 1.00 98.34 136 A 1 ATOM 1118 O O . ARG A 1 136 ? 2.118 3.243 10.077 1.00 97.94 136 A 1 ATOM 1119 C CB . ARG A 1 136 ? 1.920 0.566 8.730 1.00 98.06 136 A 1 ATOM 1120 C CG . ARG A 1 136 ? 3.388 0.168 8.910 1.00 96.45 136 A 1 ATOM 1121 C CD . ARG A 1 136 ? 4.049 -0.103 7.561 1.00 95.09 136 A 1 ATOM 1122 N NE . ARG A 1 136 ? 5.492 -0.323 7.743 1.00 89.77 136 A 1 ATOM 1123 C CZ . ARG A 1 136 ? 6.095 -1.467 8.035 1.00 87.22 136 A 1 ATOM 1124 N NH1 . ARG A 1 136 ? 5.434 -2.582 8.137 1.00 77.70 136 A 1 ATOM 1125 N NH2 . ARG A 1 136 ? 7.371 -1.495 8.244 1.00 78.72 136 A 1 ATOM 1126 N N . LYS A 1 137 ? 2.566 1.973 11.871 1.00 97.86 137 A 1 ATOM 1127 C CA . LYS A 1 137 ? 3.348 2.999 12.569 1.00 97.55 137 A 1 ATOM 1128 C C . LYS A 1 137 ? 4.707 3.191 11.911 1.00 97.62 137 A 1 ATOM 1129 O O . LYS A 1 137 ? 5.330 2.213 11.490 1.00 96.96 137 A 1 ATOM 1130 C CB . LYS A 1 137 ? 3.505 2.645 14.057 1.00 96.51 137 A 1 ATOM 1131 C CG . LYS A 1 137 ? 2.157 2.570 14.779 1.00 93.01 137 A 1 ATOM 1132 C CD . LYS A 1 137 ? 2.350 2.503 16.290 1.00 90.89 137 A 1 ATOM 1133 C CE . LYS A 1 137 ? 0.986 2.451 16.985 1.00 85.66 137 A 1 ATOM 1134 N NZ . LYS A 1 137 ? 1.071 2.838 18.415 1.00 78.07 137 A 1 ATOM 1135 N N . ALA A 1 138 ? 5.173 4.433 11.862 1.00 96.60 138 A 1 ATOM 1136 C CA . ALA A 1 138 ? 6.576 4.722 11.602 1.00 96.28 138 A 1 ATOM 1137 C C . ALA A 1 138 ? 7.462 4.018 12.645 1.00 96.19 138 A 1 ATOM 1138 O O . ALA A 1 138 ? 7.018 3.799 13.778 1.00 95.49 138 A 1 ATOM 1139 C CB . ALA A 1 138 ? 6.789 6.238 11.636 1.00 95.62 138 A 1 ATOM 1140 N N . PRO A 1 139 ? 8.714 3.667 12.303 1.00 96.19 139 A 1 ATOM 1141 C CA . PRO A 1 139 ? 9.692 3.265 13.307 1.00 95.08 139 A 1 ATOM 1142 C C . PRO A 1 139 ? 9.830 4.349 14.381 1.00 94.66 139 A 1 ATOM 1143 O O . PRO A 1 139 ? 9.692 5.533 14.101 1.00 92.59 139 A 1 ATOM 1144 C CB . PRO A 1 139 ? 11.004 3.047 12.543 1.00 93.54 139 A 1 ATOM 1145 C CG . PRO A 1 139 ? 10.553 2.808 11.109 1.00 91.92 139 A 1 ATOM 1146 C CD . PRO A 1 139 ? 9.309 3.688 10.986 1.00 94.80 139 A 1 ATOM 1147 N N . LEU A 1 140 ? 10.092 3.941 15.620 1.00 90.84 140 A 1 ATOM 1148 C CA . LEU A 1 140 ? 10.506 4.907 16.634 1.00 88.54 140 A 1 ATOM 1149 C C . LEU A 1 140 ? 11.860 5.501 16.210 1.00 85.99 140 A 1 ATOM 1150 O O . LEU A 1 140 ? 12.696 4.750 15.701 1.00 82.32 140 A 1 ATOM 1151 C CB . LEU A 1 140 ? 10.595 4.248 18.019 1.00 86.57 140 A 1 ATOM 1152 C CG . LEU A 1 140 ? 9.223 3.918 18.637 1.00 81.66 140 A 1 ATOM 1153 C CD1 . LEU A 1 140 ? 9.398 3.046 19.874 1.00 79.76 140 A 1 ATOM 1154 C CD2 . LEU A 1 140 ? 8.457 5.180 19.039 1.00 80.68 140 A 1 ATOM 1155 N N . PRO A 1 141 ? 12.094 6.813 16.405 1.00 83.18 141 A 1 ATOM 1156 C CA . PRO A 1 141 ? 13.422 7.368 16.235 1.00 80.42 141 A 1 ATOM 1157 C C . PRO A 1 141 ? 14.394 6.564 17.110 1.00 80.21 141 A 1 ATOM 1158 O O . PRO A 1 141 ? 14.185 6.459 18.316 1.00 76.61 141 A 1 ATOM 1159 C CB . PRO A 1 141 ? 13.341 8.837 16.666 1.00 76.69 141 A 1 ATOM 1160 C CG . PRO A 1 141 ? 11.848 9.151 16.633 1.00 75.36 141 A 1 ATOM 1161 C CD . PRO A 1 141 ? 11.178 7.809 16.934 1.00 78.18 141 A 1 ATOM 1162 N N . THR A 1 142 ? 15.416 5.976 16.501 1.00 81.32 142 A 1 ATOM 1163 C CA . THR A 1 142 ? 16.569 5.506 17.264 1.00 80.36 142 A 1 ATOM 1164 C C . THR A 1 142 ? 17.205 6.747 17.877 1.00 78.55 142 A 1 ATOM 1165 O O . THR A 1 142 ? 17.672 7.620 17.144 1.00 74.90 142 A 1 ATOM 1166 C CB . THR A 1 142 ? 17.565 4.739 16.376 1.00 77.03 142 A 1 ATOM 1167 O OG1 . THR A 1 142 ? 17.741 5.393 15.139 1.00 69.95 142 A 1 ATOM 1168 C CG2 . THR A 1 142 ? 17.046 3.334 16.068 1.00 69.11 142 A 1 ATOM 1169 N N . LEU A 1 143 ? 17.140 6.874 19.199 1.00 74.30 143 A 1 ATOM 1170 C CA . LEU A 1 143 ? 18.005 7.812 19.912 1.00 75.19 143 A 1 ATOM 1171 C C . LEU A 1 143 ? 19.422 7.439 19.492 1.00 73.24 143 A 1 ATOM 1172 O O . LEU A 1 143 ? 19.829 6.298 19.719 1.00 67.44 143 A 1 ATOM 1173 C CB . LEU A 1 143 ? 17.787 7.678 21.432 1.00 72.79 143 A 1 ATOM 1174 C CG . LEU A 1 143 ? 16.451 8.255 21.918 1.00 67.30 143 A 1 ATOM 1175 C CD1 . LEU A 1 143 ? 16.144 7.767 23.344 1.00 66.20 143 A 1 ATOM 1176 C CD2 . LEU A 1 143 ? 16.461 9.783 21.937 1.00 67.44 143 A 1 ATOM 1177 N N . GLY A 1 144 ? 20.100 8.329 18.772 1.00 71.04 144 A 1 ATOM 1178 C CA . GLY A 1 144 ? 21.456 8.102 18.290 1.00 73.17 144 A 1 ATOM 1179 C C . GLY A 1 144 ? 22.371 7.782 19.472 1.00 70.76 144 A 1 ATOM 1180 O O . GLY A 1 144 ? 22.285 8.448 20.504 1.00 66.27 144 A 1 ATOM 1181 N N . GLU A 1 145 ? 23.152 6.739 19.281 1.00 53.67 145 A 1 ATOM 1182 C CA . GLU A 1 145 ? 24.391 6.549 20.036 1.00 56.89 145 A 1 ATOM 1183 C C . GLU A 1 145 ? 25.383 7.679 19.711 1.00 48.60 145 A 1 ATOM 1184 O O . GLU A 1 145 ? 25.404 8.139 18.550 1.00 42.80 145 A 1 ATOM 1185 C CB . GLU A 1 145 ? 24.999 5.173 19.715 1.00 50.94 145 A 1 ATOM 1186 C CG . GLU A 1 145 ? 24.130 3.989 20.203 1.00 45.50 145 A 1 ATOM 1187 C CD . GLU A 1 145 ? 24.747 2.601 19.921 1.00 42.35 145 A 1 ATOM 1188 O OE1 . GLU A 1 145 ? 24.328 1.633 20.604 1.00 37.81 145 A 1 ATOM 1189 O OE2 . GLU A 1 145 ? 25.595 2.477 19.011 1.00 44.84 145 A 1 ATOM 1190 O OXT . GLU A 1 145 ? 26.102 8.074 20.661 1.00 50.67 145 A 1 #