# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_6ed2f80911d83856 # _entry.id 6ed2f80911d83856 # 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 PRO 2 1 n SER 3 1 n SER 4 1 n SER 5 1 n LYS 6 1 n ARG 7 1 n VAL 8 1 n ASP 9 1 n PRO 10 1 n SER 11 1 n PHE 12 1 n ILE 13 1 n ARG 14 1 n GLU 15 1 n SER 16 1 n LEU 17 1 n ARG 18 1 n LEU 19 1 n LEU 20 1 n CYS 21 1 n GLY 22 1 n LEU 23 1 n PHE 24 1 n GLY 25 1 n PRO 26 1 n ARG 27 1 n GLU 28 1 n PRO 29 1 n ALA 30 1 n ASP 31 1 n GLY 32 1 n ARG 33 1 n LYS 34 1 n ASP 35 1 n GLN 36 1 n ASP 37 1 n ARG 38 1 n THR 39 1 n LEU 40 1 n ASN 41 1 n SER 42 1 n LEU 43 1 n GLY 44 1 n SER 45 1 n GLY 46 1 n ALA 47 1 n ALA 48 1 n VAL 49 1 n LEU 50 1 n TRP 51 1 n ALA 52 1 n ILE 53 1 n ALA 54 1 n MET 55 1 n SER 56 1 n ILE 57 1 n GLU 58 1 n VAL 59 1 n TYR 60 1 n PRO 61 1 n VAL 62 1 n VAL 63 1 n VAL 64 1 n ALA 65 1 n ALA 66 1 n PRO 67 1 n GLU 68 1 n LEU 69 1 n ASP 70 1 n ARG 71 1 n SER 72 1 n GLY 73 1 n SER 74 1 n SER 75 1 n LEU 76 1 n GLU 77 1 n HIS 78 1 n HIS 79 1 n ARG 80 1 n ALA 81 1 n PHE 82 1 n VAL 83 1 n SER 84 1 n LYS 85 1 n ASN 86 1 n MET 87 1 n PHE 88 1 n ARG 89 1 n HIS 90 1 n ARG 91 1 n MET 92 1 n PHE 93 1 n LEU 94 1 n TYR 95 1 n ASN 96 1 n VAL 97 1 n GLN 98 1 n LEU 99 1 n CYS 100 1 n PHE 101 1 n THR 102 1 n SER 103 1 n ALA 104 1 n GLN 105 1 n GLU 106 1 n GLU 107 1 n TYR 108 1 n THR 109 1 n ILE 110 1 n SER 111 # _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 (8a86c86b-cd0c-4cd5-baf1-242c30a5bfc7 @ 2025-07-28 00:26:40)" _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 48.20 _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 PRO . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ASP . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n PHE . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n PRO . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n PRO . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n GLY . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n GLN . 36 A 36 A 37 1 n ASP . 37 A 37 A 38 1 n ARG . 38 A 38 A 39 1 n THR . 39 A 39 A 40 1 n LEU . 40 A 40 A 41 1 n ASN . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n SER . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n TRP . 51 A 51 A 52 1 n ALA . 52 A 52 A 53 1 n ILE . 53 A 53 A 54 1 n ALA . 54 A 54 A 55 1 n MET . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n GLU . 58 A 58 A 59 1 n VAL . 59 A 59 A 60 1 n TYR . 60 A 60 A 61 1 n PRO . 61 A 61 A 62 1 n VAL . 62 A 62 A 63 1 n VAL . 63 A 63 A 64 1 n VAL . 64 A 64 A 65 1 n ALA . 65 A 65 A 66 1 n ALA . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n ASP . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n SER . 72 A 72 A 73 1 n GLY . 73 A 73 A 74 1 n SER . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n LEU . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n HIS . 78 A 78 A 79 1 n HIS . 79 A 79 A 80 1 n ARG . 80 A 80 A 81 1 n ALA . 81 A 81 A 82 1 n PHE . 82 A 82 A 83 1 n VAL . 83 A 83 A 84 1 n SER . 84 A 84 A 85 1 n LYS . 85 A 85 A 86 1 n ASN . 86 A 86 A 87 1 n MET . 87 A 87 A 88 1 n PHE . 88 A 88 A 89 1 n ARG . 89 A 89 A 90 1 n HIS . 90 A 90 A 91 1 n ARG . 91 A 91 A 92 1 n MET . 92 A 92 A 93 1 n PHE . 93 A 93 A 94 1 n LEU . 94 A 94 A 95 1 n TYR . 95 A 95 A 96 1 n ASN . 96 A 96 A 97 1 n VAL . 97 A 97 A 98 1 n GLN . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n CYS . 100 A 100 A 101 1 n PHE . 101 A 101 A 102 1 n THR . 102 A 102 A 103 1 n SER . 103 A 103 A 104 1 n ALA . 104 A 104 A 105 1 n GLN . 105 A 105 A 106 1 n GLU . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n TYR . 108 A 108 A 109 1 n THR . 109 A 109 A 110 1 n ILE . 110 A 110 A 111 1 n SER . 111 A 111 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (8a86c86b-cd0c-4cd5-baf1-242c30a5bfc7 @ 2025-07-28 00:26:40)" # _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 ? -27.023 -14.396 11.240 1.00 48.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -25.638 -14.885 11.359 1.00 63.02 1 A 1 ATOM 3 C C . MET A 1 1 ? -24.689 -13.708 11.147 1.00 62.18 1 A 1 ATOM 4 O O . MET A 1 1 ? -24.835 -13.060 10.121 1.00 59.21 1 A 1 ATOM 5 C CB . MET A 1 1 ? -25.365 -15.993 10.327 1.00 59.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -26.127 -17.273 10.671 1.00 57.46 1 A 1 ATOM 7 S SD . MET A 1 1 ? -25.505 -18.719 9.785 1.00 51.82 1 A 1 ATOM 8 C CE . MET A 1 1 ? -26.129 -20.043 10.836 1.00 49.55 1 A 1 ATOM 9 N N . PRO A 1 2 ? -23.822 -13.369 12.106 1.00 49.65 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -22.930 -12.236 11.920 1.00 56.99 2 A 1 ATOM 11 C C . PRO A 1 2 ? -21.802 -12.622 10.951 1.00 57.36 2 A 1 ATOM 12 O O . PRO A 1 2 ? -21.110 -13.621 11.145 1.00 54.11 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -22.421 -11.878 13.315 1.00 55.44 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -22.457 -13.208 14.058 1.00 53.72 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -23.591 -13.996 13.390 1.00 59.64 2 A 1 ATOM 16 N N . SER A 1 3 ? -21.644 -11.846 9.878 1.00 47.67 3 A 1 ATOM 17 C CA . SER A 1 3 ? -20.530 -11.951 8.946 1.00 53.65 3 A 1 ATOM 18 C C . SER A 1 3 ? -19.228 -11.675 9.700 1.00 53.28 3 A 1 ATOM 19 O O . SER A 1 3 ? -18.985 -10.571 10.184 1.00 49.66 3 A 1 ATOM 20 C CB . SER A 1 3 ? -20.730 -10.982 7.776 1.00 51.69 3 A 1 ATOM 21 O OG . SER A 1 3 ? -21.050 -9.691 8.244 1.00 44.95 3 A 1 ATOM 22 N N . SER A 1 4 ? -18.379 -12.690 9.807 1.00 50.73 4 A 1 ATOM 23 C CA . SER A 1 4 ? -17.028 -12.596 10.350 1.00 56.18 4 A 1 ATOM 24 C C . SER A 1 4 ? -16.185 -11.705 9.428 1.00 55.77 4 A 1 ATOM 25 O O . SER A 1 4 ? -15.556 -12.164 8.480 1.00 52.48 4 A 1 ATOM 26 C CB . SER A 1 4 ? -16.443 -14.008 10.489 1.00 54.25 4 A 1 ATOM 27 O OG . SER A 1 4 ? -15.080 -13.971 10.859 1.00 47.17 4 A 1 ATOM 28 N N . SER A 1 5 ? -16.203 -10.401 9.689 1.00 48.33 5 A 1 ATOM 29 C CA . SER A 1 5 ? -15.246 -9.454 9.138 1.00 52.19 5 A 1 ATOM 30 C C . SER A 1 5 ? -13.875 -9.826 9.707 1.00 52.99 5 A 1 ATOM 31 O O . SER A 1 5 ? -13.573 -9.516 10.853 1.00 50.35 5 A 1 ATOM 32 C CB . SER A 1 5 ? -15.662 -8.024 9.511 1.00 49.98 5 A 1 ATOM 33 O OG . SER A 1 5 ? -14.712 -7.087 9.042 1.00 43.76 5 A 1 ATOM 34 N N . LYS A 1 6 ? -13.067 -10.536 8.917 1.00 49.48 6 A 1 ATOM 35 C CA . LYS A 1 6 ? -11.665 -10.816 9.236 1.00 52.51 6 A 1 ATOM 36 C C . LYS A 1 6 ? -10.919 -9.476 9.262 1.00 52.55 6 A 1 ATOM 37 O O . LYS A 1 6 ? -10.416 -9.017 8.244 1.00 50.74 6 A 1 ATOM 38 C CB . LYS A 1 6 ? -11.044 -11.798 8.225 1.00 50.59 6 A 1 ATOM 39 C CG . LYS A 1 6 ? -11.548 -13.250 8.372 1.00 46.17 6 A 1 ATOM 40 C CD . LYS A 1 6 ? -10.817 -14.183 7.393 1.00 43.78 6 A 1 ATOM 41 C CE . LYS A 1 6 ? -11.283 -15.642 7.548 1.00 40.64 6 A 1 ATOM 42 N NZ . LYS A 1 6 ? -10.555 -16.552 6.625 1.00 36.57 6 A 1 ATOM 43 N N . ARG A 1 7 ? -10.904 -8.814 10.407 1.00 52.04 7 A 1 ATOM 44 C CA . ARG A 1 7 ? -10.052 -7.657 10.644 1.00 54.25 7 A 1 ATOM 45 C C . ARG A 1 7 ? -8.611 -8.155 10.589 1.00 53.76 7 A 1 ATOM 46 O O . ARG A 1 7 ? -8.237 -9.010 11.382 1.00 52.27 7 A 1 ATOM 47 C CB . ARG A 1 7 ? -10.359 -6.977 11.981 1.00 52.24 7 A 1 ATOM 48 C CG . ARG A 1 7 ? -11.703 -6.222 11.958 1.00 47.62 7 A 1 ATOM 49 C CD . ARG A 1 7 ? -11.897 -5.432 13.253 1.00 45.54 7 A 1 ATOM 50 N NE . ARG A 1 7 ? -13.193 -4.730 13.274 1.00 42.58 7 A 1 ATOM 51 C CZ . ARG A 1 7 ? -13.515 -3.689 14.022 1.00 39.06 7 A 1 ATOM 52 N NH1 . ARG A 1 7 ? -12.667 -3.151 14.859 1.00 38.19 7 A 1 ATOM 53 N NH2 . ARG A 1 7 ? -14.707 -3.170 13.953 1.00 36.37 7 A 1 ATOM 54 N N . VAL A 1 8 ? -7.852 -7.639 9.627 1.00 60.91 8 A 1 ATOM 55 C CA . VAL A 1 8 ? -6.405 -7.862 9.563 1.00 60.50 8 A 1 ATOM 56 C C . VAL A 1 8 ? -5.806 -7.315 10.851 1.00 62.65 8 A 1 ATOM 57 O O . VAL A 1 8 ? -6.092 -6.176 11.226 1.00 59.81 8 A 1 ATOM 58 C CB . VAL A 1 8 ? -5.796 -7.205 8.316 1.00 56.58 8 A 1 ATOM 59 C CG1 . VAL A 1 8 ? -4.287 -7.445 8.233 1.00 51.42 8 A 1 ATOM 60 C CG2 . VAL A 1 8 ? -6.427 -7.772 7.034 1.00 50.50 8 A 1 ATOM 61 N N . ASP A 1 9 ? -5.038 -8.140 11.551 1.00 56.31 9 A 1 ATOM 62 C CA . ASP A 1 9 ? -4.462 -7.778 12.837 1.00 60.39 9 A 1 ATOM 63 C C . ASP A 1 9 ? -3.479 -6.605 12.648 1.00 59.73 9 A 1 ATOM 64 O O . ASP A 1 9 ? -2.583 -6.679 11.808 1.00 59.55 9 A 1 ATOM 65 C CB . ASP A 1 9 ? -3.794 -9.019 13.462 1.00 59.97 9 A 1 ATOM 66 C CG . ASP A 1 9 ? -3.478 -8.822 14.939 1.00 56.61 9 A 1 ATOM 67 O OD1 . ASP A 1 9 ? -2.905 -7.756 15.284 1.00 54.01 9 A 1 ATOM 68 O OD2 . ASP A 1 9 ? -3.821 -9.720 15.731 1.00 53.23 9 A 1 ATOM 69 N N . PRO A 1 10 ? -3.611 -5.504 13.409 1.00 63.17 10 A 1 ATOM 70 C CA . PRO A 1 10 ? -2.698 -4.364 13.328 1.00 63.74 10 A 1 ATOM 71 C C . PRO A 1 10 ? -1.225 -4.734 13.553 1.00 64.84 10 A 1 ATOM 72 O O . PRO A 1 10 ? -0.332 -4.057 13.037 1.00 62.63 10 A 1 ATOM 73 C CB . PRO A 1 10 ? -3.175 -3.392 14.417 1.00 61.71 10 A 1 ATOM 74 C CG . PRO A 1 10 ? -4.644 -3.739 14.612 1.00 57.72 10 A 1 ATOM 75 C CD . PRO A 1 10 ? -4.691 -5.238 14.342 1.00 59.63 10 A 1 ATOM 76 N N . SER A 1 11 ? -0.937 -5.802 14.296 1.00 68.78 11 A 1 ATOM 77 C CA . SER A 1 11 ? 0.411 -6.340 14.476 1.00 70.16 11 A 1 ATOM 78 C C . SER A 1 11 ? 0.994 -6.865 13.162 1.00 68.58 11 A 1 ATOM 79 O O . SER A 1 11 ? 2.142 -6.561 12.852 1.00 67.56 11 A 1 ATOM 80 C CB . SER A 1 11 ? 0.407 -7.435 15.547 1.00 69.63 11 A 1 ATOM 81 O OG . SER A 1 11 ? -0.377 -8.527 15.149 1.00 65.02 11 A 1 ATOM 82 N N . PHE A 1 12 ? 0.197 -7.533 12.337 1.00 62.40 12 A 1 ATOM 83 C CA . PHE A 1 12 ? 0.596 -8.073 11.039 1.00 62.58 12 A 1 ATOM 84 C C . PHE A 1 12 ? 0.963 -6.964 10.038 1.00 62.35 12 A 1 ATOM 85 O O . PHE A 1 12 ? 1.969 -7.057 9.340 1.00 61.22 12 A 1 ATOM 86 C CB . PHE A 1 12 ? -0.548 -8.930 10.510 1.00 60.35 12 A 1 ATOM 87 C CG . PHE A 1 12 ? -0.251 -9.587 9.184 1.00 56.02 12 A 1 ATOM 88 C CD1 . PHE A 1 12 ? -0.753 -9.043 7.985 1.00 52.50 12 A 1 ATOM 89 C CD2 . PHE A 1 12 ? 0.536 -10.756 9.148 1.00 52.15 12 A 1 ATOM 90 C CE1 . PHE A 1 12 ? -0.491 -9.671 6.762 1.00 47.69 12 A 1 ATOM 91 C CE2 . PHE A 1 12 ? 0.803 -11.384 7.926 1.00 47.87 12 A 1 ATOM 92 C CZ . PHE A 1 12 ? 0.282 -10.845 6.738 1.00 48.00 12 A 1 ATOM 93 N N . ILE A 1 13 ? 0.187 -5.871 10.022 1.00 59.97 13 A 1 ATOM 94 C CA . ILE A 1 13 ? 0.488 -4.686 9.210 1.00 59.53 13 A 1 ATOM 95 C C . ILE A 1 13 ? 1.809 -4.054 9.657 1.00 59.36 13 A 1 ATOM 96 O O . ILE A 1 13 ? 2.646 -3.698 8.836 1.00 57.19 13 A 1 ATOM 97 C CB . ILE A 1 13 ? -0.685 -3.680 9.258 1.00 57.31 13 A 1 ATOM 98 C CG1 . ILE A 1 13 ? -1.972 -4.314 8.676 1.00 53.15 13 A 1 ATOM 99 C CG2 . ILE A 1 13 ? -0.329 -2.379 8.502 1.00 50.93 13 A 1 ATOM 100 C CD1 . ILE A 1 13 ? -3.230 -3.449 8.809 1.00 48.51 13 A 1 ATOM 101 N N . ARG A 1 14 ? 2.030 -3.948 10.965 1.00 58.51 14 A 1 ATOM 102 C CA . ARG A 1 14 ? 3.252 -3.379 11.544 1.00 59.78 14 A 1 ATOM 103 C C . ARG A 1 14 ? 4.491 -4.220 11.217 1.00 59.50 14 A 1 ATOM 104 O O . ARG A 1 14 ? 5.514 -3.659 10.851 1.00 59.35 14 A 1 ATOM 105 C CB . ARG A 1 14 ? 3.050 -3.221 13.057 1.00 59.12 14 A 1 ATOM 106 C CG . ARG A 1 14 ? 4.100 -2.311 13.690 1.00 54.91 14 A 1 ATOM 107 C CD . ARG A 1 14 ? 3.906 -2.219 15.210 1.00 53.26 14 A 1 ATOM 108 N NE . ARG A 1 14 ? 2.557 -1.727 15.581 1.00 49.92 14 A 1 ATOM 109 C CZ . ARG A 1 14 ? 2.043 -1.660 16.794 1.00 44.53 14 A 1 ATOM 110 N NH1 . ARG A 1 14 ? 2.727 -2.009 17.845 1.00 43.01 14 A 1 ATOM 111 N NH2 . ARG A 1 14 ? 0.819 -1.252 16.969 1.00 41.95 14 A 1 ATOM 112 N N . GLU A 1 15 ? 4.389 -5.540 11.300 1.00 61.63 15 A 1 ATOM 113 C CA . GLU A 1 15 ? 5.474 -6.461 10.965 1.00 63.95 15 A 1 ATOM 114 C C . GLU A 1 15 ? 5.803 -6.425 9.462 1.00 63.57 15 A 1 ATOM 115 O O . GLU A 1 15 ? 6.964 -6.346 9.067 1.00 62.56 15 A 1 ATOM 116 C CB . GLU A 1 15 ? 5.097 -7.888 11.427 1.00 64.09 15 A 1 ATOM 117 C CG . GLU A 1 15 ? 6.304 -8.648 12.029 1.00 59.99 15 A 1 ATOM 118 C CD . GLU A 1 15 ? 6.839 -8.022 13.333 1.00 57.27 15 A 1 ATOM 119 O OE1 . GLU A 1 15 ? 8.037 -8.228 13.651 1.00 53.03 15 A 1 ATOM 120 O OE2 . GLU A 1 15 ? 6.093 -7.269 13.993 1.00 53.69 15 A 1 ATOM 121 N N . SER A 1 16 ? 4.771 -6.365 8.614 1.00 61.79 16 A 1 ATOM 122 C CA . SER A 1 16 ? 4.920 -6.237 7.161 1.00 60.96 16 A 1 ATOM 123 C C . SER A 1 16 ? 5.615 -4.923 6.768 1.00 61.19 16 A 1 ATOM 124 O O . SER A 1 16 ? 6.505 -4.909 5.924 1.00 60.06 16 A 1 ATOM 125 C CB . SER A 1 16 ? 3.556 -6.299 6.477 1.00 58.99 16 A 1 ATOM 126 O OG . SER A 1 16 ? 2.888 -7.505 6.788 1.00 52.73 16 A 1 ATOM 127 N N . LEU A 1 17 ? 5.252 -3.817 7.424 1.00 58.38 17 A 1 ATOM 128 C CA . LEU A 1 17 ? 5.919 -2.526 7.234 1.00 58.30 17 A 1 ATOM 129 C C . LEU A 1 17 ? 7.369 -2.560 7.720 1.00 58.42 17 A 1 ATOM 130 O O . LEU A 1 17 ? 8.240 -2.008 7.066 1.00 56.61 17 A 1 ATOM 131 C CB . LEU A 1 17 ? 5.123 -1.425 7.960 1.00 56.71 17 A 1 ATOM 132 C CG . LEU A 1 17 ? 3.807 -1.036 7.266 1.00 52.29 17 A 1 ATOM 133 C CD1 . LEU A 1 17 ? 2.992 -0.116 8.186 1.00 49.25 17 A 1 ATOM 134 C CD2 . LEU A 1 17 ? 4.036 -0.299 5.946 1.00 48.63 17 A 1 ATOM 135 N N . ARG A 1 18 ? 7.651 -3.245 8.826 1.00 59.58 18 A 1 ATOM 136 C CA . ARG A 1 18 ? 9.005 -3.411 9.348 1.00 59.84 18 A 1 ATOM 137 C C . ARG A 1 18 ? 9.893 -4.219 8.401 1.00 58.39 18 A 1 ATOM 138 O O . ARG A 1 18 ? 11.041 -3.833 8.176 1.00 57.83 18 A 1 ATOM 139 C CB . ARG A 1 18 ? 8.918 -4.057 10.744 1.00 60.17 18 A 1 ATOM 140 C CG . ARG A 1 18 ? 10.250 -4.003 11.482 1.00 56.98 18 A 1 ATOM 141 C CD . ARG A 1 18 ? 10.078 -4.642 12.859 1.00 56.74 18 A 1 ATOM 142 N NE . ARG A 1 18 ? 11.307 -4.510 13.668 1.00 53.04 18 A 1 ATOM 143 C CZ . ARG A 1 18 ? 11.400 -4.755 14.959 1.00 48.06 18 A 1 ATOM 144 N NH1 . ARG A 1 18 ? 10.383 -5.177 15.648 1.00 46.19 18 A 1 ATOM 145 N NH2 . ARG A 1 18 ? 12.534 -4.570 15.579 1.00 43.92 18 A 1 ATOM 146 N N . LEU A 1 19 ? 9.368 -5.282 7.804 1.00 61.62 19 A 1 ATOM 147 C CA . LEU A 1 19 ? 10.065 -6.074 6.785 1.00 60.85 19 A 1 ATOM 148 C C . LEU A 1 19 ? 10.332 -5.258 5.510 1.00 59.93 19 A 1 ATOM 149 O O . LEU A 1 19 ? 11.444 -5.287 4.992 1.00 58.29 19 A 1 ATOM 150 C CB . LEU A 1 19 ? 9.240 -7.336 6.475 1.00 60.58 19 A 1 ATOM 151 C CG . LEU A 1 19 ? 9.313 -8.413 7.569 1.00 56.71 19 A 1 ATOM 152 C CD1 . LEU A 1 19 ? 8.242 -9.473 7.325 1.00 54.19 19 A 1 ATOM 153 C CD2 . LEU A 1 19 ? 10.677 -9.103 7.600 1.00 54.65 19 A 1 ATOM 154 N N . LEU A 1 20 ? 9.360 -4.468 5.051 1.00 58.70 20 A 1 ATOM 155 C CA . LEU A 1 20 ? 9.544 -3.543 3.932 1.00 57.35 20 A 1 ATOM 156 C C . LEU A 1 20 ? 10.602 -2.483 4.244 1.00 55.63 20 A 1 ATOM 157 O O . LEU A 1 20 ? 11.496 -2.257 3.436 1.00 53.30 20 A 1 ATOM 158 C CB . LEU A 1 20 ? 8.194 -2.904 3.569 1.00 55.59 20 A 1 ATOM 159 C CG . LEU A 1 20 ? 7.250 -3.848 2.793 1.00 52.36 20 A 1 ATOM 160 C CD1 . LEU A 1 20 ? 5.833 -3.288 2.787 1.00 49.91 20 A 1 ATOM 161 C CD2 . LEU A 1 20 ? 7.705 -4.016 1.342 1.00 49.16 20 A 1 ATOM 162 N N . CYS A 1 21 ? 10.578 -1.887 5.437 1.00 54.90 21 A 1 ATOM 163 C CA . CYS A 1 21 ? 11.617 -0.961 5.875 1.00 53.59 21 A 1 ATOM 164 C C . CYS A 1 21 ? 12.991 -1.635 6.017 1.00 53.10 21 A 1 ATOM 165 O O . CYS A 1 21 ? 13.999 -0.986 5.785 1.00 51.12 21 A 1 ATOM 166 C CB . CYS A 1 21 ? 11.199 -0.312 7.205 1.00 51.54 21 A 1 ATOM 167 S SG . CYS A 1 21 ? 9.843 0.862 6.943 1.00 46.85 21 A 1 ATOM 168 N N . GLY A 1 22 ? 13.052 -2.913 6.347 1.00 56.15 22 A 1 ATOM 169 C CA . GLY A 1 22 ? 14.300 -3.691 6.370 1.00 55.64 22 A 1 ATOM 170 C C . GLY A 1 22 ? 14.862 -3.974 4.973 1.00 53.58 22 A 1 ATOM 171 O O . GLY A 1 22 ? 16.068 -3.893 4.762 1.00 52.24 22 A 1 ATOM 172 N N . LEU A 1 23 ? 13.983 -4.240 3.993 1.00 54.21 23 A 1 ATOM 173 C CA . LEU A 1 23 ? 14.359 -4.454 2.587 1.00 53.08 23 A 1 ATOM 174 C C . LEU A 1 23 ? 14.807 -3.166 1.888 1.00 51.35 23 A 1 ATOM 175 O O . LEU A 1 23 ? 15.658 -3.211 1.001 1.00 48.47 23 A 1 ATOM 176 C CB . LEU A 1 23 ? 13.153 -5.072 1.852 1.00 50.97 23 A 1 ATOM 177 C CG . LEU A 1 23 ? 12.929 -6.559 2.162 1.00 47.91 23 A 1 ATOM 178 C CD1 . LEU A 1 23 ? 11.539 -6.993 1.673 1.00 46.29 23 A 1 ATOM 179 C CD2 . LEU A 1 23 ? 13.966 -7.451 1.478 1.00 45.91 23 A 1 ATOM 180 N N . PHE A 1 24 ? 14.251 -2.022 2.297 1.00 48.02 24 A 1 ATOM 181 C CA . PHE A 1 24 ? 14.570 -0.687 1.773 1.00 46.70 24 A 1 ATOM 182 C C . PHE A 1 24 ? 15.341 0.183 2.776 1.00 44.52 24 A 1 ATOM 183 O O . PHE A 1 24 ? 15.558 1.370 2.513 1.00 41.61 24 A 1 ATOM 184 C CB . PHE A 1 24 ? 13.277 -0.015 1.293 1.00 44.27 24 A 1 ATOM 185 C CG . PHE A 1 24 ? 12.598 -0.718 0.128 1.00 42.96 24 A 1 ATOM 186 C CD1 . PHE A 1 24 ? 13.152 -0.635 -1.156 1.00 42.02 24 A 1 ATOM 187 C CD2 . PHE A 1 24 ? 11.427 -1.468 0.333 1.00 41.26 24 A 1 ATOM 188 C CE1 . PHE A 1 24 ? 12.542 -1.300 -2.235 1.00 39.49 24 A 1 ATOM 189 C CE2 . PHE A 1 24 ? 10.821 -2.141 -0.741 1.00 38.14 24 A 1 ATOM 190 C CZ . PHE A 1 24 ? 11.380 -2.058 -2.026 1.00 38.59 24 A 1 ATOM 191 N N . GLY A 1 25 ? 15.740 -0.376 3.921 1.00 47.45 25 A 1 ATOM 192 C CA . GLY A 1 25 ? 16.555 0.290 4.930 1.00 47.64 25 A 1 ATOM 193 C C . GLY A 1 25 ? 17.909 0.710 4.354 1.00 47.62 25 A 1 ATOM 194 O O . GLY A 1 25 ? 18.368 0.119 3.370 1.00 44.99 25 A 1 ATOM 195 N N . PRO A 1 26 ? 18.561 1.739 4.933 1.00 46.48 26 A 1 ATOM 196 C CA . PRO A 1 26 ? 19.818 2.240 4.436 1.00 46.56 26 A 1 ATOM 197 C C . PRO A 1 26 ? 20.840 1.096 4.477 1.00 47.17 26 A 1 ATOM 198 O O . PRO A 1 26 ? 21.282 0.680 5.548 1.00 45.55 26 A 1 ATOM 199 C CB . PRO A 1 26 ? 20.183 3.423 5.341 1.00 43.47 26 A 1 ATOM 200 C CG . PRO A 1 26 ? 19.440 3.142 6.651 1.00 42.09 26 A 1 ATOM 201 C CD . PRO A 1 26 ? 18.193 2.396 6.176 1.00 43.75 26 A 1 ATOM 202 N N . ARG A 1 27 ? 21.214 0.571 3.305 1.00 45.60 27 A 1 ATOM 203 C CA . ARG A 1 27 ? 22.487 -0.120 3.163 1.00 46.68 27 A 1 ATOM 204 C C . ARG A 1 27 ? 23.542 0.875 3.600 1.00 45.51 27 A 1 ATOM 205 O O . ARG A 1 27 ? 23.452 2.033 3.207 1.00 42.89 27 A 1 ATOM 206 C CB . ARG A 1 27 ? 22.710 -0.615 1.732 1.00 44.33 27 A 1 ATOM 207 C CG . ARG A 1 27 ? 21.911 -1.896 1.460 1.00 40.95 27 A 1 ATOM 208 C CD . ARG A 1 27 ? 22.202 -2.436 0.053 1.00 39.29 27 A 1 ATOM 209 N NE . ARG A 1 27 ? 21.611 -3.772 -0.145 1.00 37.91 27 A 1 ATOM 210 C CZ . ARG A 1 27 ? 21.534 -4.442 -1.275 1.00 35.46 27 A 1 ATOM 211 N NH1 . ARG A 1 27 ? 21.964 -3.940 -2.400 1.00 34.59 27 A 1 ATOM 212 N NH2 . ARG A 1 27 ? 21.022 -5.633 -1.299 1.00 33.91 27 A 1 ATOM 213 N N . GLU A 1 28 ? 24.469 0.427 4.465 1.00 43.18 28 A 1 ATOM 214 C CA . GLU A 1 28 ? 25.535 1.252 5.029 1.00 45.69 28 A 1 ATOM 215 C C . GLU A 1 28 ? 26.051 2.275 4.013 1.00 45.48 28 A 1 ATOM 216 O O . GLU A 1 28 ? 26.263 1.915 2.847 1.00 43.12 28 A 1 ATOM 217 C CB . GLU A 1 28 ? 26.702 0.367 5.486 1.00 44.10 28 A 1 ATOM 218 C CG . GLU A 1 28 ? 26.388 -0.403 6.779 1.00 39.28 28 A 1 ATOM 219 C CD . GLU A 1 28 ? 27.579 -1.256 7.248 1.00 36.88 28 A 1 ATOM 220 O OE1 . GLU A 1 28 ? 27.752 -1.366 8.475 1.00 36.26 28 A 1 ATOM 221 O OE2 . GLU A 1 28 ? 28.275 -1.813 6.371 1.00 37.68 28 A 1 ATOM 222 N N . PRO A 1 29 ? 26.235 3.542 4.420 1.00 45.25 29 A 1 ATOM 223 C CA . PRO A 1 29 ? 26.710 4.572 3.518 1.00 45.89 29 A 1 ATOM 224 C C . PRO A 1 29 ? 28.120 4.195 3.070 1.00 46.10 29 A 1 ATOM 225 O O . PRO A 1 29 ? 29.084 4.320 3.826 1.00 44.44 29 A 1 ATOM 226 C CB . PRO A 1 29 ? 26.641 5.880 4.305 1.00 43.07 29 A 1 ATOM 227 C CG . PRO A 1 29 ? 26.760 5.430 5.769 1.00 40.97 29 A 1 ATOM 228 C CD . PRO A 1 29 ? 26.098 4.058 5.771 1.00 42.64 29 A 1 ATOM 229 N N . ALA A 1 30 ? 28.248 3.714 1.839 1.00 45.92 30 A 1 ATOM 230 C CA . ALA A 1 30 ? 29.526 3.684 1.178 1.00 47.30 30 A 1 ATOM 231 C C . ALA A 1 30 ? 29.981 5.141 1.023 1.00 47.54 30 A 1 ATOM 232 O O . ALA A 1 30 ? 29.294 5.968 0.422 1.00 44.38 30 A 1 ATOM 233 C CB . ALA A 1 30 ? 29.408 2.934 -0.152 1.00 44.34 30 A 1 ATOM 234 N N . ASP A 1 31 ? 31.070 5.426 1.678 1.00 44.95 31 A 1 ATOM 235 C CA . ASP A 1 31 ? 31.730 6.713 1.818 1.00 48.55 31 A 1 ATOM 236 C C . ASP A 1 31 ? 31.664 7.589 0.551 1.00 48.63 31 A 1 ATOM 237 O O . ASP A 1 31 ? 32.075 7.177 -0.534 1.00 46.15 31 A 1 ATOM 238 C CB . ASP A 1 31 ? 33.190 6.396 2.203 1.00 47.15 31 A 1 ATOM 239 C CG . ASP A 1 31 ? 33.731 7.190 3.386 1.00 42.44 31 A 1 ATOM 240 O OD1 . ASP A 1 31 ? 33.106 8.208 3.746 1.00 39.84 31 A 1 ATOM 241 O OD2 . ASP A 1 31 ? 34.796 6.780 3.897 1.00 40.44 31 A 1 ATOM 242 N N . GLY A 1 32 ? 31.213 8.833 0.702 1.00 46.66 32 A 1 ATOM 243 C CA . GLY A 1 32 ? 31.430 9.898 -0.281 1.00 48.87 32 A 1 ATOM 244 C C . GLY A 1 32 ? 30.197 10.496 -0.960 1.00 49.63 32 A 1 ATOM 245 O O . GLY A 1 32 ? 29.742 10.021 -1.989 1.00 46.76 32 A 1 ATOM 246 N N . ARG A 1 33 ? 29.739 11.638 -0.440 1.00 42.28 33 A 1 ATOM 247 C CA . ARG A 1 33 ? 29.105 12.852 -1.042 1.00 45.13 33 A 1 ATOM 248 C C . ARG A 1 33 ? 28.277 12.797 -2.348 1.00 45.75 33 A 1 ATOM 249 O O . ARG A 1 33 ? 27.660 13.810 -2.671 1.00 43.92 33 A 1 ATOM 250 C CB . ARG A 1 33 ? 30.161 13.977 -1.129 1.00 43.18 33 A 1 ATOM 251 C CG . ARG A 1 33 ? 30.316 14.738 0.192 1.00 39.14 33 A 1 ATOM 252 C CD . ARG A 1 33 ? 31.295 15.909 0.030 1.00 38.24 33 A 1 ATOM 253 N NE . ARG A 1 33 ? 31.451 16.667 1.289 1.00 36.32 33 A 1 ATOM 254 C CZ . ARG A 1 33 ? 32.293 17.666 1.504 1.00 34.61 33 A 1 ATOM 255 N NH1 . ARG A 1 33 ? 33.092 18.111 0.572 1.00 34.46 33 A 1 ATOM 256 N NH2 . ARG A 1 33 ? 32.338 18.244 2.666 1.00 33.73 33 A 1 ATOM 257 N N . LYS A 1 34 ? 28.216 11.696 -3.105 1.00 45.38 34 A 1 ATOM 258 C CA . LYS A 1 34 ? 27.442 11.569 -4.351 1.00 48.49 34 A 1 ATOM 259 C C . LYS A 1 34 ? 26.126 10.801 -4.194 1.00 48.62 34 A 1 ATOM 260 O O . LYS A 1 34 ? 25.323 10.812 -5.120 1.00 45.90 34 A 1 ATOM 261 C CB . LYS A 1 34 ? 28.321 10.979 -5.466 1.00 46.37 34 A 1 ATOM 262 C CG . LYS A 1 34 ? 29.232 12.052 -6.081 1.00 41.78 34 A 1 ATOM 263 C CD . LYS A 1 34 ? 30.031 11.483 -7.257 1.00 40.71 34 A 1 ATOM 264 C CE . LYS A 1 34 ? 30.859 12.576 -7.914 1.00 38.10 34 A 1 ATOM 265 N NZ . LYS A 1 34 ? 31.690 12.044 -9.032 1.00 35.52 34 A 1 ATOM 266 N N . ASP A 1 35 ? 25.888 10.196 -3.024 1.00 43.36 35 A 1 ATOM 267 C CA . ASP A 1 35 ? 24.713 9.352 -2.798 1.00 45.70 35 A 1 ATOM 268 C C . ASP A 1 35 ? 23.514 10.079 -2.176 1.00 45.82 35 A 1 ATOM 269 O O . ASP A 1 35 ? 22.426 9.517 -2.121 1.00 43.77 35 A 1 ATOM 270 C CB . ASP A 1 35 ? 25.133 8.100 -2.021 1.00 43.49 35 A 1 ATOM 271 C CG . ASP A 1 35 ? 25.925 7.118 -2.895 1.00 39.45 35 A 1 ATOM 272 O OD1 . ASP A 1 35 ? 25.590 7.017 -4.097 1.00 37.64 35 A 1 ATOM 273 O OD2 . ASP A 1 35 ? 26.852 6.488 -2.357 1.00 37.62 35 A 1 ATOM 274 N N . GLN A 1 36 ? 23.652 11.350 -1.772 1.00 42.53 36 A 1 ATOM 275 C CA . GLN A 1 36 ? 22.560 12.107 -1.162 1.00 42.97 36 A 1 ATOM 276 C C . GLN A 1 36 ? 21.361 12.280 -2.115 1.00 44.70 36 A 1 ATOM 277 O O . GLN A 1 36 ? 20.219 12.088 -1.704 1.00 43.21 36 A 1 ATOM 278 C CB . GLN A 1 36 ? 23.078 13.460 -0.645 1.00 40.96 36 A 1 ATOM 279 C CG . GLN A 1 36 ? 22.921 13.551 0.884 1.00 36.93 36 A 1 ATOM 280 C CD . GLN A 1 36 ? 23.535 14.809 1.495 1.00 34.33 36 A 1 ATOM 281 O OE1 . GLN A 1 36 ? 24.197 15.602 0.857 1.00 34.01 36 A 1 ATOM 282 N NE2 . GLN A 1 36 ? 23.347 15.040 2.781 1.00 33.96 36 A 1 ATOM 283 N N . ASP A 1 37 ? 21.605 12.523 -3.408 1.00 42.72 37 A 1 ATOM 284 C CA . ASP A 1 37 ? 20.537 12.645 -4.412 1.00 45.41 37 A 1 ATOM 285 C C . ASP A 1 37 ? 19.874 11.302 -4.738 1.00 45.51 37 A 1 ATOM 286 O O . ASP A 1 37 ? 18.673 11.236 -5.023 1.00 44.04 37 A 1 ATOM 287 C CB . ASP A 1 37 ? 21.105 13.278 -5.691 1.00 44.70 37 A 1 ATOM 288 C CG . ASP A 1 37 ? 21.406 14.770 -5.546 1.00 40.16 37 A 1 ATOM 289 O OD1 . ASP A 1 37 ? 20.761 15.419 -4.698 1.00 38.56 37 A 1 ATOM 290 O OD2 . ASP A 1 37 ? 22.267 15.246 -6.309 1.00 38.22 37 A 1 ATOM 291 N N . ARG A 1 38 ? 20.619 10.190 -4.658 1.00 47.23 38 A 1 ATOM 292 C CA . ARG A 1 38 ? 20.060 8.838 -4.828 1.00 48.65 38 A 1 ATOM 293 C C . ARG A 1 38 ? 19.227 8.427 -3.617 1.00 47.28 38 A 1 ATOM 294 O O . ARG A 1 38 ? 18.170 7.827 -3.787 1.00 45.71 38 A 1 ATOM 295 C CB . ARG A 1 38 ? 21.173 7.827 -5.112 1.00 47.80 38 A 1 ATOM 296 C CG . ARG A 1 38 ? 21.149 7.374 -6.570 1.00 44.13 38 A 1 ATOM 297 C CD . ARG A 1 38 ? 22.267 6.366 -6.825 1.00 43.32 38 A 1 ATOM 298 N NE . ARG A 1 38 ? 22.244 5.847 -8.194 1.00 40.81 38 A 1 ATOM 299 C CZ . ARG A 1 38 ? 23.209 5.160 -8.785 1.00 38.79 38 A 1 ATOM 300 N NH1 . ARG A 1 38 ? 24.325 4.878 -8.161 1.00 38.06 38 A 1 ATOM 301 N NH2 . ARG A 1 38 ? 23.077 4.746 -10.010 1.00 36.36 38 A 1 ATOM 302 N N . THR A 1 39 ? 19.670 8.801 -2.415 1.00 41.21 39 A 1 ATOM 303 C CA . THR A 1 39 ? 18.965 8.514 -1.157 1.00 42.72 39 A 1 ATOM 304 C C . THR A 1 39 ? 17.696 9.356 -1.034 1.00 43.02 39 A 1 ATOM 305 O O . THR A 1 39 ? 16.659 8.841 -0.627 1.00 41.73 39 A 1 ATOM 306 C CB . THR A 1 39 ? 19.871 8.728 0.060 1.00 40.95 39 A 1 ATOM 307 O OG1 . THR A 1 39 ? 21.193 8.351 -0.211 1.00 37.48 39 A 1 ATOM 308 C CG2 . THR A 1 39 ? 19.435 7.864 1.238 1.00 36.75 39 A 1 ATOM 309 N N . LEU A 1 40 ? 17.711 10.614 -1.486 1.00 39.80 40 A 1 ATOM 310 C CA . LEU A 1 40 ? 16.514 11.451 -1.563 1.00 40.12 40 A 1 ATOM 311 C C . LEU A 1 40 ? 15.512 10.934 -2.607 1.00 41.18 40 A 1 ATOM 312 O O . LEU A 1 40 ? 14.311 10.933 -2.345 1.00 39.18 40 A 1 ATOM 313 C CB . LEU A 1 40 ? 16.919 12.905 -1.853 1.00 37.19 40 A 1 ATOM 314 C CG . LEU A 1 40 ? 17.471 13.643 -0.615 1.00 33.74 40 A 1 ATOM 315 C CD1 . LEU A 1 40 ? 18.133 14.950 -1.036 1.00 31.61 40 A 1 ATOM 316 C CD2 . LEU A 1 40 ? 16.359 13.985 0.387 1.00 32.69 40 A 1 ATOM 317 N N . ASN A 1 41 ? 15.983 10.416 -3.753 1.00 42.46 41 A 1 ATOM 318 C CA . ASN A 1 41 ? 15.103 9.789 -4.737 1.00 44.60 41 A 1 ATOM 319 C C . ASN A 1 41 ? 14.524 8.442 -4.256 1.00 45.07 41 A 1 ATOM 320 O O . ASN A 1 41 ? 13.367 8.136 -4.547 1.00 43.25 41 A 1 ATOM 321 C CB . ASN A 1 41 ? 15.860 9.644 -6.074 1.00 42.79 41 A 1 ATOM 322 C CG . ASN A 1 41 ? 15.885 10.936 -6.866 1.00 38.71 41 A 1 ATOM 323 O OD1 . ASN A 1 41 ? 14.933 11.699 -6.900 1.00 37.05 41 A 1 ATOM 324 N ND2 . ASN A 1 41 ? 16.945 11.208 -7.575 1.00 36.30 41 A 1 ATOM 325 N N . SER A 1 42 ? 15.273 7.645 -3.478 1.00 46.08 42 A 1 ATOM 326 C CA . SER A 1 42 ? 14.759 6.408 -2.888 1.00 46.92 42 A 1 ATOM 327 C C . SER A 1 42 ? 13.814 6.670 -1.705 1.00 47.09 42 A 1 ATOM 328 O O . SER A 1 42 ? 12.772 6.012 -1.604 1.00 45.36 42 A 1 ATOM 329 C CB . SER A 1 42 ? 15.902 5.463 -2.488 1.00 44.70 42 A 1 ATOM 330 O OG . SER A 1 42 ? 16.624 5.948 -1.376 1.00 40.57 42 A 1 ATOM 331 N N . LEU A 1 43 ? 14.089 7.684 -0.882 1.00 42.50 43 A 1 ATOM 332 C CA . LEU A 1 43 ? 13.183 8.174 0.160 1.00 42.83 43 A 1 ATOM 333 C C . LEU A 1 43 ? 11.914 8.783 -0.438 1.00 43.91 43 A 1 ATOM 334 O O . LEU A 1 43 ? 10.827 8.530 0.066 1.00 41.41 43 A 1 ATOM 335 C CB . LEU A 1 43 ? 13.908 9.203 1.045 1.00 39.27 43 A 1 ATOM 336 C CG . LEU A 1 43 ? 14.811 8.566 2.106 1.00 35.97 43 A 1 ATOM 337 C CD1 . LEU A 1 43 ? 15.805 9.594 2.653 1.00 33.62 43 A 1 ATOM 338 C CD2 . LEU A 1 43 ? 13.992 8.041 3.284 1.00 34.20 43 A 1 ATOM 339 N N . GLY A 1 44 ? 12.028 9.514 -1.555 1.00 44.81 44 A 1 ATOM 340 C CA . GLY A 1 44 ? 10.883 10.018 -2.315 1.00 45.64 44 A 1 ATOM 341 C C . GLY A 1 44 ? 10.010 8.892 -2.870 1.00 47.02 44 A 1 ATOM 342 O O . GLY A 1 44 ? 8.785 8.967 -2.795 1.00 44.45 44 A 1 ATOM 343 N N . SER A 1 45 ? 10.617 7.804 -3.344 1.00 46.73 45 A 1 ATOM 344 C CA . SER A 1 45 ? 9.897 6.605 -3.801 1.00 48.27 45 A 1 ATOM 345 C C . SER A 1 45 ? 9.237 5.851 -2.644 1.00 50.13 45 A 1 ATOM 346 O O . SER A 1 45 ? 8.069 5.486 -2.744 1.00 48.53 45 A 1 ATOM 347 C CB . SER A 1 45 ? 10.855 5.694 -4.576 1.00 45.99 45 A 1 ATOM 348 O OG . SER A 1 45 ? 10.135 4.656 -5.199 1.00 41.69 45 A 1 ATOM 349 N N . GLY A 1 46 ? 9.928 5.674 -1.510 1.00 49.04 46 A 1 ATOM 350 C CA . GLY A 1 46 ? 9.363 5.051 -0.312 1.00 50.29 46 A 1 ATOM 351 C C . GLY A 1 46 ? 8.240 5.879 0.317 1.00 51.34 46 A 1 ATOM 352 O O . GLY A 1 46 ? 7.190 5.334 0.672 1.00 50.60 46 A 1 ATOM 353 N N . ALA A 1 47 ? 8.399 7.206 0.373 1.00 48.52 47 A 1 ATOM 354 C CA . ALA A 1 47 ? 7.363 8.129 0.822 1.00 49.56 47 A 1 ATOM 355 C C . ALA A 1 47 ? 6.164 8.138 -0.131 1.00 50.83 47 A 1 ATOM 356 O O . ALA A 1 47 ? 5.029 8.148 0.331 1.00 49.48 47 A 1 ATOM 357 C CB . ALA A 1 47 ? 7.969 9.530 0.984 1.00 47.95 47 A 1 ATOM 358 N N . ALA A 1 48 ? 6.381 8.055 -1.455 1.00 50.64 48 A 1 ATOM 359 C CA . ALA A 1 48 ? 5.308 7.935 -2.429 1.00 51.30 48 A 1 ATOM 360 C C . ALA A 1 48 ? 4.548 6.605 -2.298 1.00 52.27 48 A 1 ATOM 361 O O . ALA A 1 48 ? 3.327 6.584 -2.449 1.00 51.40 48 A 1 ATOM 362 C CB . ALA A 1 48 ? 5.888 8.105 -3.839 1.00 49.92 48 A 1 ATOM 363 N N . VAL A 1 49 ? 5.239 5.502 -1.975 1.00 53.61 49 A 1 ATOM 364 C CA . VAL A 1 49 ? 4.604 4.199 -1.708 1.00 54.64 49 A 1 ATOM 365 C C . VAL A 1 49 ? 3.813 4.231 -0.392 1.00 54.92 49 A 1 ATOM 366 O O . VAL A 1 49 ? 2.666 3.798 -0.370 1.00 53.86 49 A 1 ATOM 367 C CB . VAL A 1 49 ? 5.651 3.066 -1.721 1.00 53.23 49 A 1 ATOM 368 C CG1 . VAL A 1 49 ? 5.089 1.730 -1.225 1.00 48.82 49 A 1 ATOM 369 C CG2 . VAL A 1 49 ? 6.165 2.836 -3.149 1.00 47.89 49 A 1 ATOM 370 N N . LEU A 1 50 ? 4.379 4.794 0.673 1.00 52.99 50 A 1 ATOM 371 C CA . LEU A 1 50 ? 3.669 4.963 1.946 1.00 54.09 50 A 1 ATOM 372 C C . LEU A 1 50 ? 2.475 5.916 1.815 1.00 54.69 50 A 1 ATOM 373 O O . LEU A 1 50 ? 1.411 5.636 2.356 1.00 53.16 50 A 1 ATOM 374 C CB . LEU A 1 50 ? 4.655 5.474 3.016 1.00 52.21 50 A 1 ATOM 375 C CG . LEU A 1 50 ? 5.639 4.403 3.514 1.00 47.65 50 A 1 ATOM 376 C CD1 . LEU A 1 50 ? 6.730 5.066 4.359 1.00 45.28 50 A 1 ATOM 377 C CD2 . LEU A 1 50 ? 4.942 3.347 4.372 1.00 45.35 50 A 1 ATOM 378 N N . TRP A 1 51 ? 2.626 6.997 1.041 1.00 52.75 51 A 1 ATOM 379 C CA . TRP A 1 51 ? 1.536 7.908 0.702 1.00 53.76 51 A 1 ATOM 380 C C . TRP A 1 51 ? 0.470 7.209 -0.142 1.00 54.03 51 A 1 ATOM 381 O O . TRP A 1 51 ? -0.709 7.342 0.149 1.00 53.66 51 A 1 ATOM 382 C CB . TRP A 1 51 ? 2.103 9.144 -0.000 1.00 52.97 51 A 1 ATOM 383 C CG . TRP A 1 51 ? 1.103 10.218 -0.272 1.00 48.97 51 A 1 ATOM 384 C CD1 . TRP A 1 51 ? 0.727 11.189 0.597 1.00 44.54 51 A 1 ATOM 385 C CD2 . TRP A 1 51 ? 0.331 10.458 -1.488 1.00 45.44 51 A 1 ATOM 386 N NE1 . TRP A 1 51 ? -0.209 12.006 0.014 1.00 42.55 51 A 1 ATOM 387 C CE2 . TRP A 1 51 ? -0.496 11.609 -1.276 1.00 43.61 51 A 1 ATOM 388 C CE3 . TRP A 1 51 ? 0.243 9.832 -2.745 1.00 44.58 51 A 1 ATOM 389 C CZ2 . TRP A 1 51 ? -1.358 12.111 -2.267 1.00 43.84 51 A 1 ATOM 390 C CZ3 . TRP A 1 51 ? -0.619 10.329 -3.748 1.00 43.01 51 A 1 ATOM 391 C CH2 . TRP A 1 51 ? -1.417 11.458 -3.515 1.00 42.86 51 A 1 ATOM 392 N N . ALA A 1 52 ? 0.853 6.398 -1.129 1.00 57.61 52 A 1 ATOM 393 C CA . ALA A 1 52 ? -0.087 5.605 -1.909 1.00 56.89 52 A 1 ATOM 394 C C . ALA A 1 52 ? -0.833 4.583 -1.041 1.00 55.93 52 A 1 ATOM 395 O O . ALA A 1 52 ? -2.041 4.421 -1.213 1.00 54.51 52 A 1 ATOM 396 C CB . ALA A 1 52 ? 0.650 4.926 -3.071 1.00 55.43 52 A 1 ATOM 397 N N . ILE A 1 53 ? -0.169 3.936 -0.084 1.00 57.48 53 A 1 ATOM 398 C CA . ILE A 1 53 ? -0.806 3.012 0.869 1.00 57.42 53 A 1 ATOM 399 C C . ILE A 1 53 ? -1.756 3.772 1.807 1.00 56.07 53 A 1 ATOM 400 O O . ILE A 1 53 ? -2.905 3.355 1.972 1.00 54.66 53 A 1 ATOM 401 C CB . ILE A 1 53 ? 0.269 2.210 1.644 1.00 56.59 53 A 1 ATOM 402 C CG1 . ILE A 1 53 ? 1.001 1.231 0.681 1.00 54.60 53 A 1 ATOM 403 C CG2 . ILE A 1 53 ? -0.352 1.414 2.812 1.00 52.93 53 A 1 ATOM 404 C CD1 . ILE A 1 53 ? 2.298 0.645 1.265 1.00 50.64 53 A 1 ATOM 405 N N . ALA A 1 54 ? -1.326 4.902 2.373 1.00 54.10 54 A 1 ATOM 406 C CA . ALA A 1 54 ? -2.169 5.740 3.224 1.00 53.25 54 A 1 ATOM 407 C C . ALA A 1 54 ? -3.394 6.266 2.462 1.00 52.48 54 A 1 ATOM 408 O O . ALA A 1 54 ? -4.522 6.145 2.933 1.00 50.62 54 A 1 ATOM 409 C CB . ALA A 1 54 ? -1.310 6.891 3.783 1.00 52.02 54 A 1 ATOM 410 N N . MET A 1 55 ? -3.198 6.736 1.226 1.00 51.94 55 A 1 ATOM 411 C CA . MET A 1 55 ? -4.271 7.160 0.332 1.00 52.47 55 A 1 ATOM 412 C C . MET A 1 55 ? -5.173 5.987 -0.054 1.00 52.59 55 A 1 ATOM 413 O O . MET A 1 55 ? -6.379 6.168 -0.132 1.00 50.62 55 A 1 ATOM 414 C CB . MET A 1 55 ? -3.702 7.861 -0.905 1.00 50.64 55 A 1 ATOM 415 C CG . MET A 1 55 ? -3.079 9.231 -0.568 1.00 45.39 55 A 1 ATOM 416 S SD . MET A 1 55 ? -4.243 10.531 -0.073 1.00 43.37 55 A 1 ATOM 417 C CE . MET A 1 55 ? -4.783 11.104 -1.711 1.00 41.20 55 A 1 ATOM 418 N N . SER A 1 56 ? -4.665 4.763 -0.228 1.00 52.66 56 A 1 ATOM 419 C CA . SER A 1 56 ? -5.510 3.585 -0.482 1.00 52.13 56 A 1 ATOM 420 C C . SER A 1 56 ? -6.426 3.265 0.698 1.00 51.15 56 A 1 ATOM 421 O O . SER A 1 56 ? -7.531 2.776 0.494 1.00 49.47 56 A 1 ATOM 422 C CB . SER A 1 56 ? -4.711 2.304 -0.726 1.00 50.41 56 A 1 ATOM 423 O OG . SER A 1 56 ? -3.631 2.473 -1.581 1.00 46.24 56 A 1 ATOM 424 N N . ILE A 1 57 ? -5.949 3.520 1.918 1.00 49.39 57 A 1 ATOM 425 C CA . ILE A 1 57 ? -6.687 3.234 3.159 1.00 49.10 57 A 1 ATOM 426 C C . ILE A 1 57 ? -7.699 4.353 3.457 1.00 48.05 57 A 1 ATOM 427 O O . ILE A 1 57 ? -8.812 4.062 3.881 1.00 46.09 57 A 1 ATOM 428 C CB . ILE A 1 57 ? -5.684 2.979 4.310 1.00 47.49 57 A 1 ATOM 429 C CG1 . ILE A 1 57 ? -4.859 1.692 4.031 1.00 45.02 57 A 1 ATOM 430 C CG2 . ILE A 1 57 ? -6.403 2.847 5.663 1.00 44.73 57 A 1 ATOM 431 C CD1 . ILE A 1 57 ? -3.641 1.512 4.950 1.00 42.82 57 A 1 ATOM 432 N N . GLU A 1 58 ? -7.348 5.620 3.182 1.00 39.57 58 A 1 ATOM 433 C CA . GLU A 1 58 ? -8.223 6.765 3.479 1.00 40.73 58 A 1 ATOM 434 C C . GLU A 1 58 ? -9.093 7.226 2.297 1.00 40.12 58 A 1 ATOM 435 O O . GLU A 1 58 ? -10.181 7.763 2.508 1.00 38.25 58 A 1 ATOM 436 C CB . GLU A 1 58 ? -7.398 7.950 4.011 1.00 39.28 58 A 1 ATOM 437 C CG . GLU A 1 58 ? -6.840 7.691 5.420 1.00 35.56 58 A 1 ATOM 438 C CD . GLU A 1 58 ? -6.358 8.986 6.117 1.00 33.21 58 A 1 ATOM 439 O OE1 . GLU A 1 58 ? -6.236 8.939 7.356 1.00 31.71 58 A 1 ATOM 440 O OE2 . GLU A 1 58 ? -6.127 9.992 5.410 1.00 33.23 58 A 1 ATOM 441 N N . VAL A 1 59 ? -8.667 7.036 1.041 1.00 41.01 59 A 1 ATOM 442 C CA . VAL A 1 59 ? -9.360 7.590 -0.136 1.00 41.25 59 A 1 ATOM 443 C C . VAL A 1 59 ? -10.344 6.597 -0.753 1.00 40.76 59 A 1 ATOM 444 O O . VAL A 1 59 ? -11.268 7.016 -1.458 1.00 39.11 59 A 1 ATOM 445 C CB . VAL A 1 59 ? -8.359 8.169 -1.151 1.00 38.96 59 A 1 ATOM 446 C CG1 . VAL A 1 59 ? -8.993 8.845 -2.368 1.00 36.50 59 A 1 ATOM 447 C CG2 . VAL A 1 59 ? -7.490 9.248 -0.478 1.00 36.83 59 A 1 ATOM 448 N N . TYR A 1 60 ? -10.242 5.296 -0.448 1.00 37.08 60 A 1 ATOM 449 C CA . TYR A 1 60 ? -11.267 4.336 -0.882 1.00 38.11 60 A 1 ATOM 450 C C . TYR A 1 60 ? -12.692 4.625 -0.354 1.00 37.99 60 A 1 ATOM 451 O O . TYR A 1 60 ? -13.641 4.286 -1.072 1.00 36.71 60 A 1 ATOM 452 C CB . TYR A 1 60 ? -10.828 2.889 -0.593 1.00 36.02 60 A 1 ATOM 453 C CG . TYR A 1 60 ? -11.003 1.971 -1.792 1.00 34.00 60 A 1 ATOM 454 C CD1 . TYR A 1 60 ? -12.158 1.175 -1.920 1.00 31.48 60 A 1 ATOM 455 C CD2 . TYR A 1 60 ? -10.010 1.926 -2.782 1.00 31.78 60 A 1 ATOM 456 C CE1 . TYR A 1 60 ? -12.310 0.333 -3.038 1.00 29.77 60 A 1 ATOM 457 C CE2 . TYR A 1 60 ? -10.159 1.084 -3.896 1.00 29.90 60 A 1 ATOM 458 C CZ . TYR A 1 60 ? -11.303 0.277 -4.027 1.00 29.72 60 A 1 ATOM 459 O OH . TYR A 1 60 ? -11.454 -0.540 -5.102 1.00 28.83 60 A 1 ATOM 460 N N . PRO A 1 61 ? -12.915 5.303 0.785 1.00 36.72 61 A 1 ATOM 461 C CA . PRO A 1 61 ? -14.244 5.794 1.163 1.00 36.55 61 A 1 ATOM 462 C C . PRO A 1 61 ? -14.611 7.138 0.520 1.00 37.03 61 A 1 ATOM 463 O O . PRO A 1 61 ? -15.785 7.430 0.333 1.00 36.15 61 A 1 ATOM 464 C CB . PRO A 1 61 ? -14.238 5.889 2.693 1.00 34.22 61 A 1 ATOM 465 C CG . PRO A 1 61 ? -12.943 5.221 3.134 1.00 33.91 61 A 1 ATOM 466 C CD . PRO A 1 61 ? -12.029 5.375 1.931 1.00 35.50 61 A 1 ATOM 467 N N . VAL A 1 62 ? -13.636 8.003 0.173 1.00 30.95 62 A 1 ATOM 468 C CA . VAL A 1 62 ? -13.877 9.415 -0.180 1.00 31.76 62 A 1 ATOM 469 C C . VAL A 1 62 ? -14.125 9.604 -1.685 1.00 32.27 62 A 1 ATOM 470 O O . VAL A 1 62 ? -14.952 10.424 -2.075 1.00 31.16 62 A 1 ATOM 471 C CB . VAL A 1 62 ? -12.734 10.315 0.341 1.00 30.03 62 A 1 ATOM 472 C CG1 . VAL A 1 62 ? -12.930 11.797 -0.025 1.00 27.32 62 A 1 ATOM 473 C CG2 . VAL A 1 62 ? -12.641 10.235 1.876 1.00 27.26 62 A 1 ATOM 474 N N . VAL A 1 63 ? -13.485 8.810 -2.551 1.00 36.04 63 A 1 ATOM 475 C CA . VAL A 1 63 ? -13.694 8.899 -4.016 1.00 37.50 63 A 1 ATOM 476 C C . VAL A 1 63 ? -15.050 8.337 -4.453 1.00 36.93 63 A 1 ATOM 477 O O . VAL A 1 63 ? -15.541 8.669 -5.529 1.00 35.85 63 A 1 ATOM 478 C CB . VAL A 1 63 ? -12.515 8.270 -4.785 1.00 36.41 63 A 1 ATOM 479 C CG1 . VAL A 1 63 ? -12.678 8.287 -6.312 1.00 34.05 63 A 1 ATOM 480 C CG2 . VAL A 1 63 ? -11.216 9.041 -4.488 1.00 34.04 63 A 1 ATOM 481 N N . VAL A 1 64 ? -15.719 7.558 -3.604 1.00 31.63 64 A 1 ATOM 482 C CA . VAL A 1 64 ? -17.097 7.096 -3.833 1.00 32.96 64 A 1 ATOM 483 C C . VAL A 1 64 ? -18.136 8.147 -3.383 1.00 33.17 64 A 1 ATOM 484 O O . VAL A 1 64 ? -19.298 8.053 -3.754 1.00 31.66 64 A 1 ATOM 485 C CB . VAL A 1 64 ? -17.320 5.714 -3.179 1.00 30.83 64 A 1 ATOM 486 C CG1 . VAL A 1 64 ? -18.730 5.144 -3.387 1.00 27.63 64 A 1 ATOM 487 C CG2 . VAL A 1 64 ? -16.338 4.686 -3.783 1.00 27.66 64 A 1 ATOM 488 N N . ALA A 1 65 ? -17.725 9.181 -2.641 1.00 30.07 65 A 1 ATOM 489 C CA . ALA A 1 65 ? -18.617 10.160 -2.017 1.00 31.80 65 A 1 ATOM 490 C C . ALA A 1 65 ? -18.542 11.585 -2.608 1.00 32.27 65 A 1 ATOM 491 O O . ALA A 1 65 ? -19.083 12.508 -2.008 1.00 30.34 65 A 1 ATOM 492 C CB . ALA A 1 65 ? -18.366 10.134 -0.507 1.00 29.37 65 A 1 ATOM 493 N N . ALA A 1 66 ? -17.907 11.793 -3.767 1.00 34.59 66 A 1 ATOM 494 C CA . ALA A 1 66 ? -17.858 13.097 -4.429 1.00 36.36 66 A 1 ATOM 495 C C . ALA A 1 66 ? -18.596 13.080 -5.784 1.00 36.51 66 A 1 ATOM 496 O O . ALA A 1 66 ? -17.957 13.128 -6.837 1.00 34.84 66 A 1 ATOM 497 C CB . ALA A 1 66 ? -16.402 13.566 -4.513 1.00 34.29 66 A 1 ATOM 498 N N . PRO A 1 67 ? -19.945 13.041 -5.810 1.00 33.49 67 A 1 ATOM 499 C CA . PRO A 1 67 ? -20.680 13.717 -6.861 1.00 34.99 67 A 1 ATOM 500 C C . PRO A 1 67 ? -20.684 15.213 -6.507 1.00 35.88 67 A 1 ATOM 501 O O . PRO A 1 67 ? -20.810 15.575 -5.345 1.00 34.27 67 A 1 ATOM 502 C CB . PRO A 1 67 ? -22.071 13.084 -6.836 1.00 32.12 67 A 1 ATOM 503 C CG . PRO A 1 67 ? -22.286 12.747 -5.359 1.00 30.66 67 A 1 ATOM 504 C CD . PRO A 1 67 ? -20.871 12.603 -4.773 1.00 32.47 67 A 1 ATOM 505 N N . GLU A 1 68 ? -20.559 16.074 -7.518 1.00 32.72 68 A 1 ATOM 506 C CA . GLU A 1 68 ? -20.594 17.543 -7.389 1.00 34.82 68 A 1 ATOM 507 C C . GLU A 1 68 ? -19.244 18.246 -7.168 1.00 34.90 68 A 1 ATOM 508 O O . GLU A 1 68 ? -19.006 18.908 -6.166 1.00 33.03 68 A 1 ATOM 509 C CB . GLU A 1 68 ? -21.694 18.080 -6.456 1.00 33.76 68 A 1 ATOM 510 C CG . GLU A 1 68 ? -23.070 17.469 -6.741 1.00 30.07 68 A 1 ATOM 511 C CD . GLU A 1 68 ? -24.204 18.166 -5.980 1.00 28.47 68 A 1 ATOM 512 O OE1 . GLU A 1 68 ? -25.372 17.810 -6.279 1.00 26.26 68 A 1 ATOM 513 O OE2 . GLU A 1 68 ? -23.935 19.053 -5.140 1.00 28.96 68 A 1 ATOM 514 N N . LEU A 1 69 ? -18.395 18.240 -8.199 1.00 38.50 69 A 1 ATOM 515 C CA . LEU A 1 69 ? -17.681 19.458 -8.578 1.00 40.01 69 A 1 ATOM 516 C C . LEU A 1 69 ? -17.663 19.595 -10.107 1.00 40.42 69 A 1 ATOM 517 O O . LEU A 1 69 ? -16.648 19.447 -10.780 1.00 38.42 69 A 1 ATOM 518 C CB . LEU A 1 69 ? -16.298 19.563 -7.895 1.00 37.64 69 A 1 ATOM 519 C CG . LEU A 1 69 ? -16.060 20.976 -7.314 1.00 34.38 69 A 1 ATOM 520 C CD1 . LEU A 1 69 ? -16.435 21.036 -5.838 1.00 32.00 69 A 1 ATOM 521 C CD2 . LEU A 1 69 ? -14.604 21.402 -7.438 1.00 32.94 69 A 1 ATOM 522 N N . ASP A 1 70 ? -18.850 19.850 -10.643 1.00 39.95 70 A 1 ATOM 523 C CA . ASP A 1 70 ? -19.007 20.318 -12.009 1.00 42.19 70 A 1 ATOM 524 C C . ASP A 1 70 ? -18.827 21.841 -12.048 1.00 42.41 70 A 1 ATOM 525 O O . ASP A 1 70 ? -19.379 22.548 -11.203 1.00 40.43 70 A 1 ATOM 526 C CB . ASP A 1 70 ? -20.383 19.878 -12.556 1.00 40.22 70 A 1 ATOM 527 C CG . ASP A 1 70 ? -20.537 20.076 -14.062 1.00 35.77 70 A 1 ATOM 528 O OD1 . ASP A 1 70 ? -19.511 20.342 -14.737 1.00 33.49 70 A 1 ATOM 529 O OD2 . ASP A 1 70 ? -21.683 19.961 -14.549 1.00 33.63 70 A 1 ATOM 530 N N . ARG A 1 71 ? -18.070 22.316 -13.039 1.00 45.77 71 A 1 ATOM 531 C CA . ARG A 1 71 ? -17.865 23.692 -13.549 1.00 48.05 71 A 1 ATOM 532 C C . ARG A 1 71 ? -16.422 24.210 -13.510 1.00 47.81 71 A 1 ATOM 533 O O . ARG A 1 71 ? -16.144 25.257 -12.941 1.00 45.11 71 A 1 ATOM 534 C CB . ARG A 1 71 ? -18.848 24.748 -12.978 1.00 46.98 71 A 1 ATOM 535 C CG . ARG A 1 71 ? -20.296 24.512 -13.412 1.00 42.94 71 A 1 ATOM 536 C CD . ARG A 1 71 ? -21.202 25.529 -12.709 1.00 42.03 71 A 1 ATOM 537 N NE . ARG A 1 71 ? -22.618 25.298 -13.050 1.00 40.26 71 A 1 ATOM 538 C CZ . ARG A 1 71 ? -23.648 25.889 -12.488 1.00 37.72 71 A 1 ATOM 539 N NH1 . ARG A 1 71 ? -23.507 26.788 -11.549 1.00 36.69 71 A 1 ATOM 540 N NH2 . ARG A 1 71 ? -24.860 25.579 -12.849 1.00 35.94 71 A 1 ATOM 541 N N . SER A 1 72 ? -15.533 23.609 -14.291 1.00 48.29 72 A 1 ATOM 542 C CA . SER A 1 72 ? -14.715 24.361 -15.255 1.00 50.39 72 A 1 ATOM 543 C C . SER A 1 72 ? -14.074 23.391 -16.254 1.00 50.82 72 A 1 ATOM 544 O O . SER A 1 72 ? -13.204 22.594 -15.933 1.00 47.59 72 A 1 ATOM 545 C CB . SER A 1 72 ? -13.664 25.278 -14.605 1.00 48.71 72 A 1 ATOM 546 O OG . SER A 1 72 ? -12.827 24.570 -13.731 1.00 44.00 72 A 1 ATOM 547 N N . GLY A 1 73 ? -14.572 23.417 -17.478 1.00 49.00 73 A 1 ATOM 548 C CA . GLY A 1 73 ? -14.164 22.498 -18.529 1.00 50.49 73 A 1 ATOM 549 C C . GLY A 1 73 ? -12.743 22.762 -19.012 1.00 50.72 73 A 1 ATOM 550 O O . GLY A 1 73 ? -12.519 23.719 -19.728 1.00 47.27 73 A 1 ATOM 551 N N . SER A 1 74 ? -11.803 21.911 -18.643 1.00 45.11 74 A 1 ATOM 552 C CA . SER A 1 74 ? -10.585 21.581 -19.416 1.00 47.60 74 A 1 ATOM 553 C C . SER A 1 74 ? -9.713 20.497 -18.762 1.00 48.69 74 A 1 ATOM 554 O O . SER A 1 74 ? -8.776 20.009 -19.390 1.00 45.45 74 A 1 ATOM 555 C CB . SER A 1 74 ? -9.714 22.821 -19.701 1.00 44.50 74 A 1 ATOM 556 O OG . SER A 1 74 ? -9.428 23.517 -18.515 1.00 39.83 74 A 1 ATOM 557 N N . SER A 1 75 ? -10.014 20.058 -17.532 1.00 53.11 75 A 1 ATOM 558 C CA . SER A 1 75 ? -9.151 19.149 -16.765 1.00 55.59 75 A 1 ATOM 559 C C . SER A 1 75 ? -9.593 17.669 -16.776 1.00 58.10 75 A 1 ATOM 560 O O . SER A 1 75 ? -8.830 16.798 -16.367 1.00 56.16 75 A 1 ATOM 561 C CB . SER A 1 75 ? -9.025 19.682 -15.333 1.00 51.39 75 A 1 ATOM 562 O OG . SER A 1 75 ? -8.033 18.976 -14.627 1.00 44.87 75 A 1 ATOM 563 N N . LEU A 1 76 ? -10.797 17.366 -17.266 1.00 52.74 76 A 1 ATOM 564 C CA . LEU A 1 76 ? -11.414 16.049 -17.056 1.00 55.23 76 A 1 ATOM 565 C C . LEU A 1 76 ? -10.721 14.905 -17.825 1.00 58.06 76 A 1 ATOM 566 O O . LEU A 1 76 ? -10.651 13.788 -17.314 1.00 56.42 76 A 1 ATOM 567 C CB . LEU A 1 76 ? -12.912 16.131 -17.421 1.00 52.84 76 A 1 ATOM 568 C CG . LEU A 1 76 ? -13.795 15.339 -16.429 1.00 47.30 76 A 1 ATOM 569 C CD1 . LEU A 1 76 ? -14.255 16.241 -15.287 1.00 43.93 76 A 1 ATOM 570 C CD2 . LEU A 1 76 ? -15.028 14.784 -17.125 1.00 45.38 76 A 1 ATOM 571 N N . GLU A 1 77 ? -10.181 15.169 -19.015 1.00 51.42 77 A 1 ATOM 572 C CA . GLU A 1 77 ? -9.520 14.122 -19.816 1.00 55.50 77 A 1 ATOM 573 C C . GLU A 1 77 ? -8.111 13.798 -19.305 1.00 56.07 77 A 1 ATOM 574 O O . GLU A 1 77 ? -7.758 12.620 -19.200 1.00 55.15 77 A 1 ATOM 575 C CB . GLU A 1 77 ? -9.486 14.505 -21.301 1.00 55.01 77 A 1 ATOM 576 C CG . GLU A 1 77 ? -10.903 14.553 -21.898 1.00 50.96 77 A 1 ATOM 577 C CD . GLU A 1 77 ? -10.899 14.400 -23.418 1.00 47.98 77 A 1 ATOM 578 O OE1 . GLU A 1 77 ? -11.957 13.959 -23.932 1.00 45.20 77 A 1 ATOM 579 O OE2 . GLU A 1 77 ? -9.862 14.685 -24.044 1.00 46.55 77 A 1 ATOM 580 N N . HIS A 1 78 ? -7.354 14.805 -18.883 1.00 57.96 78 A 1 ATOM 581 C CA . HIS A 1 78 ? -6.054 14.594 -18.249 1.00 60.34 78 A 1 ATOM 582 C C . HIS A 1 78 ? -6.200 13.904 -16.886 1.00 59.74 78 A 1 ATOM 583 O O . HIS A 1 78 ? -5.417 13.013 -16.565 1.00 59.60 78 A 1 ATOM 584 C CB . HIS A 1 78 ? -5.301 15.927 -18.128 1.00 60.82 78 A 1 ATOM 585 C CG . HIS A 1 78 ? -4.522 16.245 -19.384 1.00 56.26 78 A 1 ATOM 586 N ND1 . HIS A 1 78 ? -5.009 16.815 -20.527 1.00 52.44 78 A 1 ATOM 587 C CD2 . HIS A 1 78 ? -3.197 15.980 -19.599 1.00 51.69 78 A 1 ATOM 588 C CE1 . HIS A 1 78 ? -4.002 16.892 -21.419 1.00 50.33 78 A 1 ATOM 589 N NE2 . HIS A 1 78 ? -2.875 16.391 -20.898 1.00 51.27 78 A 1 ATOM 590 N N . HIS A 1 79 ? -7.230 14.235 -16.125 1.00 53.89 79 A 1 ATOM 591 C CA . HIS A 1 79 ? -7.529 13.588 -14.851 1.00 55.08 79 A 1 ATOM 592 C C . HIS A 1 79 ? -7.973 12.131 -15.048 1.00 55.26 79 A 1 ATOM 593 O O . HIS A 1 79 ? -7.481 11.251 -14.348 1.00 56.07 79 A 1 ATOM 594 C CB . HIS A 1 79 ? -8.565 14.411 -14.075 1.00 53.78 79 A 1 ATOM 595 C CG . HIS A 1 79 ? -8.118 14.709 -12.666 1.00 48.96 79 A 1 ATOM 596 N ND1 . HIS A 1 79 ? -7.115 15.577 -12.310 1.00 45.51 79 A 1 ATOM 597 C CD2 . HIS A 1 79 ? -8.620 14.178 -11.514 1.00 44.77 79 A 1 ATOM 598 C CE1 . HIS A 1 79 ? -7.008 15.563 -10.969 1.00 42.29 79 A 1 ATOM 599 N NE2 . HIS A 1 79 ? -7.908 14.727 -10.447 1.00 42.08 79 A 1 ATOM 600 N N . ARG A 1 80 ? -8.819 11.838 -16.057 1.00 56.44 80 A 1 ATOM 601 C CA . ARG A 1 80 ? -9.214 10.454 -16.386 1.00 57.77 80 A 1 ATOM 602 C C . ARG A 1 80 ? -8.032 9.612 -16.853 1.00 57.77 80 A 1 ATOM 603 O O . ARG A 1 80 ? -7.905 8.479 -16.410 1.00 57.56 80 A 1 ATOM 604 C CB . ARG A 1 80 ? -10.319 10.442 -17.455 1.00 57.25 80 A 1 ATOM 605 C CG . ARG A 1 80 ? -11.713 10.572 -16.834 1.00 53.22 80 A 1 ATOM 606 C CD . ARG A 1 80 ? -12.779 10.511 -17.931 1.00 52.06 80 A 1 ATOM 607 N NE . ARG A 1 80 ? -14.141 10.567 -17.366 1.00 49.55 80 A 1 ATOM 608 C CZ . ARG A 1 80 ? -15.263 10.641 -18.057 1.00 44.20 80 A 1 ATOM 609 N NH1 . ARG A 1 80 ? -15.274 10.660 -19.367 1.00 42.74 80 A 1 ATOM 610 N NH2 . ARG A 1 80 ? -16.409 10.694 -17.457 1.00 41.09 80 A 1 ATOM 611 N N . ALA A 1 81 ? -7.149 10.158 -17.704 1.00 61.97 81 A 1 ATOM 612 C CA . ALA A 1 81 ? -5.963 9.445 -18.161 1.00 63.15 81 A 1 ATOM 613 C C . ALA A 1 81 ? -4.971 9.188 -17.010 1.00 62.64 81 A 1 ATOM 614 O O . ALA A 1 81 ? -4.442 8.086 -16.892 1.00 61.40 81 A 1 ATOM 615 C CB . ALA A 1 81 ? -5.324 10.244 -19.298 1.00 62.83 81 A 1 ATOM 616 N N . PHE A 1 82 ? -4.780 10.159 -16.113 1.00 52.85 82 A 1 ATOM 617 C CA . PHE A 1 82 ? -3.916 10.038 -14.943 1.00 53.87 82 A 1 ATOM 618 C C . PHE A 1 82 ? -4.465 9.048 -13.913 1.00 53.39 82 A 1 ATOM 619 O O . PHE A 1 82 ? -3.737 8.168 -13.449 1.00 52.80 82 A 1 ATOM 620 C CB . PHE A 1 82 ? -3.716 11.436 -14.338 1.00 52.80 82 A 1 ATOM 621 C CG . PHE A 1 82 ? -2.695 11.476 -13.219 1.00 48.94 82 A 1 ATOM 622 C CD1 . PHE A 1 82 ? -3.110 11.449 -11.880 1.00 46.95 82 A 1 ATOM 623 C CD2 . PHE A 1 82 ? -1.326 11.562 -13.531 1.00 47.25 82 A 1 ATOM 624 C CE1 . PHE A 1 82 ? -2.158 11.506 -10.845 1.00 44.02 82 A 1 ATOM 625 C CE2 . PHE A 1 82 ? -0.382 11.620 -12.504 1.00 44.51 82 A 1 ATOM 626 C CZ . PHE A 1 82 ? -0.786 11.594 -11.156 1.00 43.52 82 A 1 ATOM 627 N N . VAL A 1 83 ? -5.757 9.120 -13.618 1.00 55.37 83 A 1 ATOM 628 C CA . VAL A 1 83 ? -6.438 8.205 -12.691 1.00 56.77 83 A 1 ATOM 629 C C . VAL A 1 83 ? -6.479 6.791 -13.271 1.00 56.91 83 A 1 ATOM 630 O O . VAL A 1 83 ? -6.137 5.845 -12.567 1.00 55.32 83 A 1 ATOM 631 C CB . VAL A 1 83 ? -7.845 8.728 -12.331 1.00 54.99 83 A 1 ATOM 632 C CG1 . VAL A 1 83 ? -8.670 7.723 -11.521 1.00 50.01 83 A 1 ATOM 633 C CG2 . VAL A 1 83 ? -7.742 10.001 -11.483 1.00 50.43 83 A 1 ATOM 634 N N . SER A 1 84 ? -6.777 6.623 -14.565 1.00 58.72 84 A 1 ATOM 635 C CA . SER A 1 84 ? -6.797 5.308 -15.220 1.00 60.22 84 A 1 ATOM 636 C C . SER A 1 84 ? -5.411 4.644 -15.236 1.00 60.53 84 A 1 ATOM 637 O O . SER A 1 84 ? -5.275 3.469 -14.878 1.00 59.27 84 A 1 ATOM 638 C CB . SER A 1 84 ? -7.350 5.458 -16.641 1.00 59.19 84 A 1 ATOM 639 O OG . SER A 1 84 ? -7.421 4.197 -17.280 1.00 51.92 84 A 1 ATOM 640 N N . LYS A 1 85 ? -4.350 5.403 -15.578 1.00 62.01 85 A 1 ATOM 641 C CA . LYS A 1 85 ? -2.975 4.890 -15.612 1.00 62.26 85 A 1 ATOM 642 C C . LYS A 1 85 ? -2.441 4.544 -14.220 1.00 61.17 85 A 1 ATOM 643 O O . LYS A 1 85 ? -1.737 3.545 -14.066 1.00 59.26 85 A 1 ATOM 644 C CB . LYS A 1 85 ? -2.078 5.911 -16.338 1.00 62.43 85 A 1 ATOM 645 C CG . LYS A 1 85 ? -1.132 5.274 -17.356 1.00 60.17 85 A 1 ATOM 646 C CD . LYS A 1 85 ? -0.382 6.360 -18.137 1.00 59.55 85 A 1 ATOM 647 C CE . LYS A 1 85 ? 0.450 5.755 -19.274 1.00 55.26 85 A 1 ATOM 648 N NZ . LYS A 1 85 ? 1.106 6.795 -20.103 1.00 49.87 85 A 1 ATOM 649 N N . ASN A 1 86 ? -2.801 5.342 -13.209 1.00 58.27 86 A 1 ATOM 650 C CA . ASN A 1 86 ? -2.419 5.079 -11.822 1.00 58.62 86 A 1 ATOM 651 C C . ASN A 1 86 ? -3.254 3.963 -11.190 1.00 58.88 86 A 1 ATOM 652 O O . ASN A 1 86 ? -2.673 3.103 -10.549 1.00 57.18 86 A 1 ATOM 653 C CB . ASN A 1 86 ? -2.421 6.382 -11.016 1.00 55.36 86 A 1 ATOM 654 C CG . ASN A 1 86 ? -1.170 7.200 -11.290 1.00 49.50 86 A 1 ATOM 655 O OD1 . ASN A 1 86 ? -0.065 6.690 -11.399 1.00 47.15 86 A 1 ATOM 656 N ND2 . ASN A 1 86 ? -1.296 8.491 -11.426 1.00 45.98 86 A 1 ATOM 657 N N . MET A 1 87 ? -4.565 3.880 -11.448 1.00 58.21 87 A 1 ATOM 658 C CA . MET A 1 87 ? -5.396 2.759 -10.973 1.00 59.07 87 A 1 ATOM 659 C C . MET A 1 87 ? -4.942 1.418 -11.548 1.00 60.93 87 A 1 ATOM 660 O O . MET A 1 87 ? -4.961 0.420 -10.829 1.00 59.04 87 A 1 ATOM 661 C CB . MET A 1 87 ? -6.872 2.966 -11.328 1.00 55.98 87 A 1 ATOM 662 C CG . MET A 1 87 ? -7.575 3.964 -10.412 1.00 50.52 87 A 1 ATOM 663 S SD . MET A 1 87 ? -9.359 4.056 -10.709 1.00 47.88 87 A 1 ATOM 664 C CE . MET A 1 87 ? -9.940 2.600 -9.797 1.00 43.98 87 A 1 ATOM 665 N N . PHE A 1 88 ? -4.485 1.376 -12.803 1.00 57.76 88 A 1 ATOM 666 C CA . PHE A 1 88 ? -3.958 0.147 -13.402 1.00 58.83 88 A 1 ATOM 667 C C . PHE A 1 88 ? -2.652 -0.300 -12.737 1.00 59.29 88 A 1 ATOM 668 O O . PHE A 1 88 ? -2.507 -1.463 -12.358 1.00 58.26 88 A 1 ATOM 669 C CB . PHE A 1 88 ? -3.792 0.335 -14.913 1.00 58.22 88 A 1 ATOM 670 C CG . PHE A 1 88 ? -3.455 -0.962 -15.628 1.00 55.27 88 A 1 ATOM 671 C CD1 . PHE A 1 88 ? -2.120 -1.291 -15.932 1.00 52.24 88 A 1 ATOM 672 C CD2 . PHE A 1 88 ? -4.487 -1.858 -15.964 1.00 52.39 88 A 1 ATOM 673 C CE1 . PHE A 1 88 ? -1.824 -2.501 -16.574 1.00 47.12 88 A 1 ATOM 674 C CE2 . PHE A 1 88 ? -4.184 -3.072 -16.606 1.00 47.30 88 A 1 ATOM 675 C CZ . PHE A 1 88 ? -2.855 -3.394 -16.911 1.00 48.46 88 A 1 ATOM 676 N N . ARG A 1 89 ? -1.719 0.638 -12.508 1.00 61.13 89 A 1 ATOM 677 C CA . ARG A 1 89 ? -0.477 0.367 -11.764 1.00 61.27 89 A 1 ATOM 678 C C . ARG A 1 89 ? -0.753 -0.020 -10.313 1.00 60.74 89 A 1 ATOM 679 O O . ARG A 1 89 ? -0.097 -0.911 -9.789 1.00 58.70 89 A 1 ATOM 680 C CB . ARG A 1 89 ? 0.460 1.573 -11.828 1.00 60.44 89 A 1 ATOM 681 C CG . ARG A 1 89 ? 1.151 1.674 -13.194 1.00 55.57 89 A 1 ATOM 682 C CD . ARG A 1 89 ? 2.106 2.868 -13.212 1.00 55.01 89 A 1 ATOM 683 N NE . ARG A 1 89 ? 2.949 2.877 -14.417 1.00 50.25 89 A 1 ATOM 684 C CZ . ARG A 1 89 ? 3.886 3.757 -14.705 1.00 46.10 89 A 1 ATOM 685 N NH1 . ARG A 1 89 ? 4.118 4.791 -13.950 1.00 43.08 89 A 1 ATOM 686 N NH2 . ARG A 1 89 ? 4.628 3.609 -15.776 1.00 42.03 89 A 1 ATOM 687 N N . HIS A 1 90 ? -1.745 0.592 -9.693 1.00 59.12 90 A 1 ATOM 688 C CA . HIS A 1 90 ? -2.163 0.319 -8.322 1.00 59.72 90 A 1 ATOM 689 C C . HIS A 1 90 ? -2.813 -1.061 -8.185 1.00 60.05 90 A 1 ATOM 690 O O . HIS A 1 90 ? -2.471 -1.809 -7.281 1.00 59.66 90 A 1 ATOM 691 C CB . HIS A 1 90 ? -3.107 1.438 -7.879 1.00 58.33 90 A 1 ATOM 692 C CG . HIS A 1 90 ? -3.002 1.728 -6.409 1.00 54.07 90 A 1 ATOM 693 N ND1 . HIS A 1 90 ? -1.957 2.427 -5.824 1.00 49.87 90 A 1 ATOM 694 C CD2 . HIS A 1 90 ? -3.920 1.421 -5.459 1.00 48.88 90 A 1 ATOM 695 C CE1 . HIS A 1 90 ? -2.246 2.528 -4.526 1.00 46.35 90 A 1 ATOM 696 N NE2 . HIS A 1 90 ? -3.430 1.938 -4.267 1.00 46.17 90 A 1 ATOM 697 N N . ARG A 1 91 ? -3.677 -1.450 -9.142 1.00 61.81 91 A 1 ATOM 698 C CA . ARG A 1 91 ? -4.229 -2.815 -9.200 1.00 61.79 91 A 1 ATOM 699 C C . ARG A 1 91 ? -3.143 -3.868 -9.423 1.00 61.01 91 A 1 ATOM 700 O O . ARG A 1 91 ? -3.156 -4.869 -8.734 1.00 60.02 91 A 1 ATOM 701 C CB . ARG A 1 91 ? -5.295 -2.925 -10.298 1.00 60.77 91 A 1 ATOM 702 C CG . ARG A 1 91 ? -6.680 -2.491 -9.798 1.00 55.76 91 A 1 ATOM 703 C CD . ARG A 1 91 ? -7.721 -2.738 -10.891 1.00 54.35 91 A 1 ATOM 704 N NE . ARG A 1 91 ? -9.089 -2.490 -10.403 1.00 49.97 91 A 1 ATOM 705 C CZ . ARG A 1 91 ? -10.202 -2.637 -11.095 1.00 45.49 91 A 1 ATOM 706 N NH1 . ARG A 1 91 ? -10.197 -3.018 -12.347 1.00 42.14 91 A 1 ATOM 707 N NH2 . ARG A 1 91 ? -11.364 -2.409 -10.543 1.00 41.33 91 A 1 ATOM 708 N N . MET A 1 92 ? -2.195 -3.623 -10.329 1.00 55.37 92 A 1 ATOM 709 C CA . MET A 1 92 ? -1.063 -4.522 -10.549 1.00 55.01 92 A 1 ATOM 710 C C . MET A 1 92 ? -0.167 -4.639 -9.306 1.00 55.25 92 A 1 ATOM 711 O O . MET A 1 92 ? 0.287 -5.735 -8.977 1.00 53.44 92 A 1 ATOM 712 C CB . MET A 1 92 ? -0.229 -4.024 -11.744 1.00 54.11 92 A 1 ATOM 713 C CG . MET A 1 92 ? -0.841 -4.443 -13.085 1.00 50.34 92 A 1 ATOM 714 S SD . MET A 1 92 ? -0.491 -6.156 -13.562 1.00 48.29 92 A 1 ATOM 715 C CE . MET A 1 92 ? 1.221 -6.003 -14.132 1.00 44.41 92 A 1 ATOM 716 N N . PHE A 1 93 ? 0.059 -3.539 -8.585 1.00 56.83 93 A 1 ATOM 717 C CA . PHE A 1 93 ? 0.828 -3.544 -7.341 1.00 56.32 93 A 1 ATOM 718 C C . PHE A 1 93 ? 0.097 -4.321 -6.239 1.00 54.84 93 A 1 ATOM 719 O O . PHE A 1 93 ? 0.679 -5.232 -5.659 1.00 53.87 93 A 1 ATOM 720 C CB . PHE A 1 93 ? 1.122 -2.101 -6.930 1.00 55.61 93 A 1 ATOM 721 C CG . PHE A 1 93 ? 1.940 -2.005 -5.650 1.00 52.37 93 A 1 ATOM 722 C CD1 . PHE A 1 93 ? 1.304 -1.733 -4.426 1.00 49.92 93 A 1 ATOM 723 C CD2 . PHE A 1 93 ? 3.328 -2.218 -5.688 1.00 49.70 93 A 1 ATOM 724 C CE1 . PHE A 1 93 ? 2.061 -1.664 -3.236 1.00 45.78 93 A 1 ATOM 725 C CE2 . PHE A 1 93 ? 4.083 -2.152 -4.501 1.00 45.82 93 A 1 ATOM 726 C CZ . PHE A 1 93 ? 3.451 -1.879 -3.281 1.00 46.62 93 A 1 ATOM 727 N N . LEU A 1 94 ? -1.187 -4.045 -6.014 1.00 58.08 94 A 1 ATOM 728 C CA . LEU A 1 94 ? -1.994 -4.768 -5.035 1.00 58.53 94 A 1 ATOM 729 C C . LEU A 1 94 ? -2.114 -6.256 -5.383 1.00 58.27 94 A 1 ATOM 730 O O . LEU A 1 94 ? -2.037 -7.090 -4.490 1.00 56.18 94 A 1 ATOM 731 C CB . LEU A 1 94 ? -3.393 -4.127 -4.934 1.00 56.76 94 A 1 ATOM 732 C CG . LEU A 1 94 ? -3.410 -2.757 -4.228 1.00 53.06 94 A 1 ATOM 733 C CD1 . LEU A 1 94 ? -4.814 -2.151 -4.354 1.00 50.43 94 A 1 ATOM 734 C CD2 . LEU A 1 94 ? -3.067 -2.856 -2.746 1.00 50.46 94 A 1 ATOM 735 N N . TYR A 1 95 ? -2.225 -6.599 -6.667 1.00 55.57 95 A 1 ATOM 736 C CA . TYR A 1 95 ? -2.263 -7.986 -7.126 1.00 56.83 95 A 1 ATOM 737 C C . TYR A 1 95 ? -0.940 -8.720 -6.863 1.00 55.62 95 A 1 ATOM 738 O O . TYR A 1 95 ? -0.954 -9.841 -6.360 1.00 54.84 95 A 1 ATOM 739 C CB . TYR A 1 95 ? -2.639 -8.006 -8.605 1.00 57.40 95 A 1 ATOM 740 C CG . TYR A 1 95 ? -2.956 -9.387 -9.132 1.00 55.04 95 A 1 ATOM 741 C CD1 . TYR A 1 95 ? -1.995 -10.112 -9.872 1.00 52.33 95 A 1 ATOM 742 C CD2 . TYR A 1 95 ? -4.219 -9.957 -8.872 1.00 51.77 95 A 1 ATOM 743 C CE1 . TYR A 1 95 ? -2.301 -11.395 -10.347 1.00 47.76 95 A 1 ATOM 744 C CE2 . TYR A 1 95 ? -4.524 -11.243 -9.342 1.00 48.24 95 A 1 ATOM 745 C CZ . TYR A 1 95 ? -3.561 -11.967 -10.079 1.00 48.73 95 A 1 ATOM 746 O OH . TYR A 1 95 ? -3.846 -13.215 -10.536 1.00 46.83 95 A 1 ATOM 747 N N . ASN A 1 96 ? 0.201 -8.077 -7.122 1.00 53.27 96 A 1 ATOM 748 C CA . ASN A 1 96 ? 1.512 -8.656 -6.823 1.00 52.93 96 A 1 ATOM 749 C C . ASN A 1 96 ? 1.755 -8.788 -5.312 1.00 51.91 96 A 1 ATOM 750 O O . ASN A 1 96 ? 2.255 -9.816 -4.861 1.00 50.02 96 A 1 ATOM 751 C CB . ASN A 1 96 ? 2.615 -7.814 -7.485 1.00 50.47 96 A 1 ATOM 752 C CG . ASN A 1 96 ? 2.765 -8.134 -8.955 1.00 45.11 96 A 1 ATOM 753 O OD1 . ASN A 1 96 ? 3.047 -9.246 -9.351 1.00 41.91 96 A 1 ATOM 754 N ND2 . ASN A 1 96 ? 2.599 -7.180 -9.832 1.00 41.07 96 A 1 ATOM 755 N N . VAL A 1 97 ? 1.352 -7.786 -4.523 1.00 57.57 97 A 1 ATOM 756 C CA . VAL A 1 97 ? 1.410 -7.862 -3.057 1.00 56.61 97 A 1 ATOM 757 C C . VAL A 1 97 ? 0.538 -9.011 -2.555 1.00 55.70 97 A 1 ATOM 758 O O . VAL A 1 97 ? 0.986 -9.809 -1.744 1.00 53.71 97 A 1 ATOM 759 C CB . VAL A 1 97 ? 1.020 -6.506 -2.437 1.00 55.07 97 A 1 ATOM 760 C CG1 . VAL A 1 97 ? 0.824 -6.568 -0.918 1.00 51.85 97 A 1 ATOM 761 C CG2 . VAL A 1 97 ? 2.106 -5.456 -2.696 1.00 50.40 97 A 1 ATOM 762 N N . GLN A 1 98 ? -0.665 -9.156 -3.090 1.00 51.75 98 A 1 ATOM 763 C CA . GLN A 1 98 ? -1.573 -10.239 -2.718 1.00 52.38 98 A 1 ATOM 764 C C . GLN A 1 98 ? -1.024 -11.618 -3.115 1.00 52.15 98 A 1 ATOM 765 O O . GLN A 1 98 ? -1.119 -12.547 -2.315 1.00 50.53 98 A 1 ATOM 766 C CB . GLN A 1 98 ? -2.950 -9.934 -3.320 1.00 51.18 98 A 1 ATOM 767 C CG . GLN A 1 98 ? -4.052 -10.871 -2.776 1.00 46.45 98 A 1 ATOM 768 C CD . GLN A 1 98 ? -5.468 -10.379 -3.103 1.00 42.56 98 A 1 ATOM 769 O OE1 . GLN A 1 98 ? -5.706 -9.306 -3.631 1.00 42.44 98 A 1 ATOM 770 N NE2 . GLN A 1 98 ? -6.471 -11.162 -2.785 1.00 39.86 98 A 1 ATOM 771 N N . LEU A 1 99 ? -0.383 -11.758 -4.280 1.00 53.17 99 A 1 ATOM 772 C CA . LEU A 1 99 ? 0.320 -12.976 -4.702 1.00 53.82 99 A 1 ATOM 773 C C . LEU A 1 99 ? 1.483 -13.336 -3.771 1.00 52.91 99 A 1 ATOM 774 O O . LEU A 1 99 ? 1.607 -14.492 -3.381 1.00 50.81 99 A 1 ATOM 775 C CB . LEU A 1 99 ? 0.824 -12.796 -6.147 1.00 53.23 99 A 1 ATOM 776 C CG . LEU A 1 99 ? -0.157 -13.339 -7.204 1.00 50.05 99 A 1 ATOM 777 C CD1 . LEU A 1 99 ? 0.131 -12.705 -8.557 1.00 47.15 99 A 1 ATOM 778 C CD2 . LEU A 1 99 ? -0.022 -14.855 -7.348 1.00 48.64 99 A 1 ATOM 779 N N . CYS A 1 100 ? 2.283 -12.348 -3.358 1.00 49.06 100 A 1 ATOM 780 C CA . CYS A 1 100 ? 3.346 -12.580 -2.384 1.00 48.76 100 A 1 ATOM 781 C C . CYS A 1 100 ? 2.800 -13.018 -1.018 1.00 48.41 100 A 1 ATOM 782 O O . CYS A 1 100 ? 3.417 -13.837 -0.340 1.00 46.04 100 A 1 ATOM 783 C CB . CYS A 1 100 ? 4.191 -11.306 -2.238 1.00 46.41 100 A 1 ATOM 784 S SG . CYS A 1 100 ? 5.155 -10.997 -3.747 1.00 41.73 100 A 1 ATOM 785 N N . PHE A 1 101 ? 1.635 -12.516 -0.614 1.00 48.53 101 A 1 ATOM 786 C CA . PHE A 1 101 ? 0.989 -12.938 0.632 1.00 49.16 101 A 1 ATOM 787 C C . PHE A 1 101 ? 0.358 -14.328 0.532 1.00 49.60 101 A 1 ATOM 788 O O . PHE A 1 101 ? 0.434 -15.081 1.502 1.00 48.28 101 A 1 ATOM 789 C CB . PHE A 1 101 ? -0.034 -11.893 1.077 1.00 47.32 101 A 1 ATOM 790 C CG . PHE A 1 101 ? 0.578 -10.704 1.799 1.00 45.53 101 A 1 ATOM 791 C CD1 . PHE A 1 101 ? 1.247 -10.901 3.022 1.00 41.67 101 A 1 ATOM 792 C CD2 . PHE A 1 101 ? 0.487 -9.408 1.265 1.00 42.03 101 A 1 ATOM 793 C CE1 . PHE A 1 101 ? 1.839 -9.816 3.682 1.00 38.83 101 A 1 ATOM 794 C CE2 . PHE A 1 101 ? 1.081 -8.328 1.934 1.00 38.26 101 A 1 ATOM 795 C CZ . PHE A 1 101 ? 1.768 -8.527 3.142 1.00 39.45 101 A 1 ATOM 796 N N . THR A 1 102 ? -0.229 -14.709 -0.605 1.00 53.77 102 A 1 ATOM 797 C CA . THR A 1 102 ? -0.763 -16.061 -0.796 1.00 55.40 102 A 1 ATOM 798 C C . THR A 1 102 ? 0.343 -17.108 -0.872 1.00 53.88 102 A 1 ATOM 799 O O . THR A 1 102 ? 0.207 -18.141 -0.229 1.00 51.30 102 A 1 ATOM 800 C CB . THR A 1 102 ? -1.686 -16.179 -2.024 1.00 55.01 102 A 1 ATOM 801 O OG1 . THR A 1 102 ? -1.213 -15.454 -3.125 1.00 51.92 102 A 1 ATOM 802 C CG2 . THR A 1 102 ? -3.081 -15.640 -1.710 1.00 51.81 102 A 1 ATOM 803 N N . SER A 1 103 ? 1.459 -16.837 -1.544 1.00 51.05 103 A 1 ATOM 804 C CA . SER A 1 103 ? 2.595 -17.765 -1.573 1.00 52.33 103 A 1 ATOM 805 C C . SER A 1 103 ? 3.244 -17.934 -0.199 1.00 51.68 103 A 1 ATOM 806 O O . SER A 1 103 ? 3.567 -19.048 0.197 1.00 49.98 103 A 1 ATOM 807 C CB . SER A 1 103 ? 3.633 -17.328 -2.610 1.00 51.52 103 A 1 ATOM 808 O OG . SER A 1 103 ? 4.207 -16.077 -2.301 1.00 46.92 103 A 1 ATOM 809 N N . ALA A 1 104 ? 3.347 -16.852 0.589 1.00 50.88 104 A 1 ATOM 810 C CA . ALA A 1 104 ? 3.836 -16.931 1.957 1.00 50.59 104 A 1 ATOM 811 C C . ALA A 1 104 ? 2.880 -17.712 2.873 1.00 50.54 104 A 1 ATOM 812 O O . ALA A 1 104 ? 3.332 -18.430 3.761 1.00 48.66 104 A 1 ATOM 813 C CB . ALA A 1 104 ? 4.079 -15.507 2.473 1.00 48.23 104 A 1 ATOM 814 N N . GLN A 1 105 ? 1.554 -17.629 2.672 1.00 50.07 105 A 1 ATOM 815 C CA . GLN A 1 105 ? 0.598 -18.425 3.440 1.00 51.93 105 A 1 ATOM 816 C C . GLN A 1 105 ? 0.660 -19.923 3.115 1.00 52.33 105 A 1 ATOM 817 O O . GLN A 1 105 ? 0.453 -20.735 4.021 1.00 51.60 105 A 1 ATOM 818 C CB . GLN A 1 105 ? -0.838 -17.919 3.257 1.00 50.54 105 A 1 ATOM 819 C CG . GLN A 1 105 ? -1.143 -16.725 4.179 1.00 45.88 105 A 1 ATOM 820 C CD . GLN A 1 105 ? -2.641 -16.434 4.279 1.00 42.32 105 A 1 ATOM 821 O OE1 . GLN A 1 105 ? -3.393 -16.407 3.319 1.00 42.60 105 A 1 ATOM 822 N NE2 . GLN A 1 105 ? -3.152 -16.225 5.469 1.00 40.62 105 A 1 ATOM 823 N N . GLU A 1 106 ? 0.948 -20.302 1.863 1.00 49.41 106 A 1 ATOM 824 C CA . GLU A 1 106 ? 1.099 -21.711 1.485 1.00 52.93 106 A 1 ATOM 825 C C . GLU A 1 106 ? 2.341 -22.350 2.123 1.00 52.21 106 A 1 ATOM 826 O O . GLU A 1 106 ? 2.265 -23.477 2.592 1.00 50.64 106 A 1 ATOM 827 C CB . GLU A 1 106 ? 1.090 -21.854 -0.050 1.00 53.25 106 A 1 ATOM 828 C CG . GLU A 1 106 ? -0.329 -21.693 -0.615 1.00 49.14 106 A 1 ATOM 829 C CD . GLU A 1 106 ? -0.424 -21.861 -2.149 1.00 46.62 106 A 1 ATOM 830 O OE1 . GLU A 1 106 ? -1.570 -22.022 -2.629 1.00 44.71 106 A 1 ATOM 831 O OE2 . GLU A 1 106 ? 0.622 -21.805 -2.835 1.00 46.82 106 A 1 ATOM 832 N N . GLU A 1 107 ? 3.452 -21.630 2.253 1.00 48.17 107 A 1 ATOM 833 C CA . GLU A 1 107 ? 4.645 -22.123 2.967 1.00 50.27 107 A 1 ATOM 834 C C . GLU A 1 107 ? 4.404 -22.337 4.467 1.00 49.23 107 A 1 ATOM 835 O O . GLU A 1 107 ? 4.943 -23.271 5.054 1.00 47.85 107 A 1 ATOM 836 C CB . GLU A 1 107 ? 5.838 -21.185 2.740 1.00 50.66 107 A 1 ATOM 837 C CG . GLU A 1 107 ? 6.497 -21.411 1.368 1.00 45.92 107 A 1 ATOM 838 C CD . GLU A 1 107 ? 7.783 -20.576 1.167 1.00 43.89 107 A 1 ATOM 839 O OE1 . GLU A 1 107 ? 8.613 -20.986 0.315 1.00 41.74 107 A 1 ATOM 840 O OE2 . GLU A 1 107 ? 7.933 -19.529 1.834 1.00 44.13 107 A 1 ATOM 841 N N . TYR A 1 108 ? 3.548 -21.533 5.104 1.00 45.96 108 A 1 ATOM 842 C CA . TYR A 1 108 ? 3.223 -21.669 6.530 1.00 47.65 108 A 1 ATOM 843 C C . TYR A 1 108 ? 2.144 -22.713 6.831 1.00 48.09 108 A 1 ATOM 844 O O . TYR A 1 108 ? 1.936 -23.046 8.004 1.00 46.26 108 A 1 ATOM 845 C CB . TYR A 1 108 ? 2.860 -20.300 7.122 1.00 46.08 108 A 1 ATOM 846 C CG . TYR A 1 108 ? 4.070 -19.477 7.538 1.00 42.22 108 A 1 ATOM 847 C CD1 . TYR A 1 108 ? 4.694 -19.732 8.774 1.00 38.76 108 A 1 ATOM 848 C CD2 . TYR A 1 108 ? 4.576 -18.485 6.692 1.00 38.59 108 A 1 ATOM 849 C CE1 . TYR A 1 108 ? 5.826 -18.991 9.154 1.00 35.05 108 A 1 ATOM 850 C CE2 . TYR A 1 108 ? 5.715 -17.744 7.060 1.00 35.58 108 A 1 ATOM 851 C CZ . TYR A 1 108 ? 6.347 -17.996 8.298 1.00 34.79 108 A 1 ATOM 852 O OH . TYR A 1 108 ? 7.451 -17.290 8.655 1.00 34.06 108 A 1 ATOM 853 N N . THR A 1 109 ? 1.437 -23.234 5.824 1.00 51.70 109 A 1 ATOM 854 C CA . THR A 1 109 ? 0.411 -24.283 6.011 1.00 54.78 109 A 1 ATOM 855 C C . THR A 1 109 ? 0.932 -25.707 5.769 1.00 52.50 109 A 1 ATOM 856 O O . THR A 1 109 ? 0.179 -26.659 5.982 1.00 50.63 109 A 1 ATOM 857 C CB . THR A 1 109 ? -0.872 -24.018 5.204 1.00 54.83 109 A 1 ATOM 858 O OG1 . THR A 1 109 ? -0.638 -23.407 3.963 1.00 51.23 109 A 1 ATOM 859 C CG2 . THR A 1 109 ? -1.821 -23.100 5.974 1.00 52.00 109 A 1 ATOM 860 N N . ILE A 1 110 ? 2.193 -25.872 5.372 1.00 48.17 110 A 1 ATOM 861 C CA . ILE A 1 110 ? 2.834 -27.175 5.112 1.00 51.33 110 A 1 ATOM 862 C C . ILE A 1 110 ? 3.832 -27.560 6.229 1.00 49.60 110 A 1 ATOM 863 O O . ILE A 1 110 ? 4.625 -28.480 6.078 1.00 46.21 110 A 1 ATOM 864 C CB . ILE A 1 110 ? 3.398 -27.221 3.655 1.00 49.87 110 A 1 ATOM 865 C CG1 . ILE A 1 110 ? 2.265 -26.926 2.629 1.00 47.55 110 A 1 ATOM 866 C CG2 . ILE A 1 110 ? 4.031 -28.576 3.284 1.00 47.32 110 A 1 ATOM 867 C CD1 . ILE A 1 110 ? 2.739 -26.737 1.180 1.00 45.22 110 A 1 ATOM 868 N N . SER A 1 111 ? 3.792 -26.884 7.386 1.00 47.93 111 A 1 ATOM 869 C CA . SER A 1 111 ? 4.596 -27.234 8.568 1.00 52.24 111 A 1 ATOM 870 C C . SER A 1 111 ? 3.742 -27.704 9.736 1.00 48.12 111 A 1 ATOM 871 O O . SER A 1 111 ? 2.723 -27.032 10.009 1.00 44.82 111 A 1 ATOM 872 C CB . SER A 1 111 ? 5.474 -26.068 9.005 1.00 48.57 111 A 1 ATOM 873 O OG . SER A 1 111 ? 6.379 -25.765 7.967 1.00 42.63 111 A 1 ATOM 874 O OXT . SER A 1 111 ? 4.163 -28.685 10.358 1.00 40.78 111 A 1 #