# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_2515cae6524a7c4 # _entry.id 2515cae6524a7c4 # 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 TYR 2 1 n ASP 3 1 n LYS 4 1 n ALA 5 1 n GLN 6 1 n VAL 7 1 n LEU 8 1 n LEU 9 1 n TRP 10 1 n VAL 11 1 n GLY 12 1 n ASP 13 1 n ASN 14 1 n LEU 15 1 n LEU 16 1 n ASP 17 1 n TYR 18 1 n THR 19 1 n ARG 20 1 n LYS 21 1 n SER 22 1 n ASP 23 1 n GLY 24 1 n SER 25 1 n PRO 26 1 n MET 27 1 n THR 28 1 n PHE 29 1 n LEU 30 1 n TRP 31 1 n TYR 32 1 n GLU 33 1 n GLU 34 1 n GLU 35 1 n LEU 36 1 n LYS 37 1 n GLU 38 1 n ALA 39 1 n ILE 40 1 n GLY 41 1 n TYR 42 1 n SER 43 1 n LYS 44 1 n SER 45 1 n THR 46 1 n TYR 47 1 n ASP 48 1 n PHE 49 1 n ARG 50 1 n ARG 51 1 n VAL 52 1 n ASP 53 1 n PHE 54 1 n HIS 55 1 n PHE 56 1 n VAL 57 1 n THR 58 1 n GLU 59 1 n LYS 60 1 n LYS 61 1 n VAL 62 1 n THR 63 1 n ALA 64 1 n TYR 65 1 n THR 66 1 n LEU 67 1 n HIS 68 1 n GLU 69 1 n CYS 70 1 n ASP 71 1 n THR 72 1 n GLY 73 1 n PRO 74 1 n THR 75 1 n THR 76 1 n GLU 77 1 n LEU 78 1 n ASN 79 1 n GLY 80 1 n THR 81 1 n TYR 82 1 n THR 83 1 n LEU 84 1 n GLN 85 1 n ALA 86 1 n LEU 87 1 n LYS 88 1 n GLU 89 1 n ILE 90 1 n ILE 91 1 n ALA 92 1 n GLU 93 1 n MET 94 1 n GLU 95 1 n GLU 96 1 n GLU 97 1 n ASN 98 1 n GLU 99 1 n ASN 100 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-04-29 07:26:28)" _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 68.45 _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 TYR . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n PRO . 26 A 26 A 27 1 n MET . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n TRP . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n ALA . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n TYR . 42 A 42 A 43 1 n SER . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n SER . 45 A 45 A 46 1 n THR . 46 A 46 A 47 1 n TYR . 47 A 47 A 48 1 n ASP . 48 A 48 A 49 1 n PHE . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n PHE . 54 A 54 A 55 1 n HIS . 55 A 55 A 56 1 n PHE . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n THR . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n VAL . 62 A 62 A 63 1 n THR . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n THR . 66 A 66 A 67 1 n LEU . 67 A 67 A 68 1 n HIS . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n CYS . 70 A 70 A 71 1 n ASP . 71 A 71 A 72 1 n THR . 72 A 72 A 73 1 n GLY . 73 A 73 A 74 1 n PRO . 74 A 74 A 75 1 n THR . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n LEU . 78 A 78 A 79 1 n ASN . 79 A 79 A 80 1 n GLY . 80 A 80 A 81 1 n THR . 81 A 81 A 82 1 n TYR . 82 A 82 A 83 1 n THR . 83 A 83 A 84 1 n LEU . 84 A 84 A 85 1 n GLN . 85 A 85 A 86 1 n ALA . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n GLU . 89 A 89 A 90 1 n ILE . 90 A 90 A 91 1 n ILE . 91 A 91 A 92 1 n ALA . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n MET . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n GLU . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n ASN . 98 A 98 A 99 1 n GLU . 99 A 99 A 100 1 n ASN . 100 A 100 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-04-29 07:26:28)" # _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 ? 7.780 12.811 -15.764 1.00 46.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? 7.815 11.391 -16.147 1.00 49.40 1 A 1 ATOM 3 C C . MET A 1 1 ? 6.711 10.736 -15.346 1.00 51.77 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.666 10.983 -14.153 1.00 49.67 1 A 1 ATOM 5 C CB . MET A 1 1 ? 9.202 10.826 -15.835 1.00 47.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? 9.492 9.464 -16.454 1.00 42.50 1 A 1 ATOM 7 S SD . MET A 1 1 ? 11.266 9.067 -16.335 1.00 38.15 1 A 1 ATOM 8 C CE . MET A 1 1 ? 11.315 7.428 -17.098 1.00 34.70 1 A 1 ATOM 9 N N . TYR A 1 2 ? 5.763 10.089 -16.000 1.00 52.31 2 A 1 ATOM 10 C CA . TYR A 1 2 ? 4.715 9.367 -15.292 1.00 53.74 2 A 1 ATOM 11 C C . TYR A 1 2 ? 5.279 8.009 -14.898 1.00 55.82 2 A 1 ATOM 12 O O . TYR A 1 2 ? 5.930 7.374 -15.726 1.00 53.22 2 A 1 ATOM 13 C CB . TYR A 1 2 ? 3.466 9.229 -16.165 1.00 50.76 2 A 1 ATOM 14 C CG . TYR A 1 2 ? 2.720 10.538 -16.372 1.00 46.91 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? 1.819 10.991 -15.390 1.00 42.94 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? 2.922 11.309 -17.531 1.00 42.64 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? 1.134 12.208 -15.560 1.00 38.94 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? 2.244 12.530 -17.704 1.00 39.80 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? 1.350 12.976 -16.714 1.00 38.06 2 A 1 ATOM 20 O OH . TYR A 1 2 ? 0.679 14.158 -16.875 1.00 35.70 2 A 1 ATOM 21 N N . ASP A 1 3 ? 5.065 7.605 -13.643 1.00 59.78 3 A 1 ATOM 22 C CA . ASP A 1 3 ? 5.461 6.285 -13.188 1.00 63.45 3 A 1 ATOM 23 C C . ASP A 1 3 ? 4.547 5.243 -13.841 1.00 64.95 3 A 1 ATOM 24 O O . ASP A 1 3 ? 3.329 5.425 -13.914 1.00 63.76 3 A 1 ATOM 25 C CB . ASP A 1 3 ? 5.421 6.228 -11.654 1.00 61.39 3 A 1 ATOM 26 C CG . ASP A 1 3 ? 6.468 7.176 -11.060 1.00 57.91 3 A 1 ATOM 27 O OD1 . ASP A 1 3 ? 7.656 7.070 -11.431 1.00 55.12 3 A 1 ATOM 28 O OD2 . ASP A 1 3 ? 6.110 8.091 -10.284 1.00 55.74 3 A 1 ATOM 29 N N . LYS A 1 4 ? 5.130 4.165 -14.338 1.00 67.53 4 A 1 ATOM 30 C CA . LYS A 1 4 ? 4.405 3.056 -14.970 1.00 68.77 4 A 1 ATOM 31 C C . LYS A 1 4 ? 3.793 2.108 -13.933 1.00 70.74 4 A 1 ATOM 32 O O . LYS A 1 4 ? 2.862 1.376 -14.246 1.00 68.25 4 A 1 ATOM 33 C CB . LYS A 1 4 ? 5.349 2.269 -15.875 1.00 65.47 4 A 1 ATOM 34 C CG . LYS A 1 4 ? 5.861 3.075 -17.076 1.00 61.35 4 A 1 ATOM 35 C CD . LYS A 1 4 ? 6.791 2.157 -17.860 1.00 57.20 4 A 1 ATOM 36 C CE . LYS A 1 4 ? 7.421 2.834 -19.060 1.00 53.05 4 A 1 ATOM 37 N NZ . LYS A 1 4 ? 8.448 1.923 -19.630 1.00 47.37 4 A 1 ATOM 38 N N . ALA A 1 5 ? 4.325 2.131 -12.713 1.00 75.06 5 A 1 ATOM 39 C CA . ALA A 1 5 ? 3.830 1.386 -11.569 1.00 75.28 5 A 1 ATOM 40 C C . ALA A 1 5 ? 3.399 2.357 -10.462 1.00 76.75 5 A 1 ATOM 41 O O . ALA A 1 5 ? 4.099 3.331 -10.179 1.00 75.08 5 A 1 ATOM 42 C CB . ALA A 1 5 ? 4.914 0.417 -11.108 1.00 71.77 5 A 1 ATOM 43 N N . GLN A 1 6 ? 2.262 2.083 -9.837 1.00 76.43 6 A 1 ATOM 44 C CA . GLN A 1 6 ? 1.705 2.868 -8.745 1.00 78.32 6 A 1 ATOM 45 C C . GLN A 1 6 ? 1.454 1.990 -7.526 1.00 79.27 6 A 1 ATOM 46 O O . GLN A 1 6 ? 1.025 0.844 -7.642 1.00 79.43 6 A 1 ATOM 47 C CB . GLN A 1 6 ? 0.402 3.558 -9.176 1.00 77.40 6 A 1 ATOM 48 C CG . GLN A 1 6 ? 0.578 4.495 -10.370 1.00 72.77 6 A 1 ATOM 49 C CD . GLN A 1 6 ? -0.712 5.260 -10.669 1.00 70.35 6 A 1 ATOM 50 O OE1 . GLN A 1 6 ? -1.743 4.692 -10.994 1.00 64.38 6 A 1 ATOM 51 N NE2 . GLN A 1 6 ? -0.697 6.559 -10.540 1.00 61.82 6 A 1 ATOM 52 N N . VAL A 1 7 ? 1.666 2.571 -6.343 1.00 79.68 7 A 1 ATOM 53 C CA . VAL A 1 7 ? 1.298 1.987 -5.045 1.00 79.84 7 A 1 ATOM 54 C C . VAL A 1 7 ? 0.185 2.822 -4.462 1.00 81.16 7 A 1 ATOM 55 O O . VAL A 1 7 ? 0.392 3.974 -4.084 1.00 80.34 7 A 1 ATOM 56 C CB . VAL A 1 7 ? 2.476 1.954 -4.069 1.00 77.20 7 A 1 ATOM 57 C CG1 . VAL A 1 7 ? 2.091 1.183 -2.797 1.00 73.20 7 A 1 ATOM 58 C CG2 . VAL A 1 7 ? 3.691 1.277 -4.682 1.00 74.09 7 A 1 ATOM 59 N N . LEU A 1 8 ? -0.998 2.257 -4.375 1.00 82.22 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -2.154 2.894 -3.773 1.00 83.21 8 A 1 ATOM 61 C C . LEU A 1 8 ? -2.437 2.236 -2.426 1.00 83.45 8 A 1 ATOM 62 O O . LEU A 1 8 ? -2.501 1.012 -2.318 1.00 82.97 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -3.351 2.810 -4.722 1.00 82.64 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -3.095 3.386 -6.135 1.00 80.82 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -4.352 3.208 -6.981 1.00 78.67 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -2.739 4.877 -6.114 1.00 79.01 8 A 1 ATOM 67 N N . LEU A 1 9 ? -2.640 3.053 -1.393 1.00 83.26 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -2.966 2.609 -0.048 1.00 83.61 9 A 1 ATOM 69 C C . LEU A 1 9 ? -4.370 3.069 0.310 1.00 83.82 9 A 1 ATOM 70 O O . LEU A 1 9 ? -4.648 4.264 0.347 1.00 83.91 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -1.912 3.157 0.920 1.00 81.78 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -2.149 2.746 2.385 1.00 76.65 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? -1.959 1.246 2.572 1.00 73.43 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -1.163 3.474 3.293 1.00 73.68 9 A 1 ATOM 75 N N . TRP A 1 10 ? -5.241 2.130 0.625 1.00 84.90 10 A 1 ATOM 76 C CA . TRP A 1 10 ? -6.543 2.400 1.209 1.00 84.99 10 A 1 ATOM 77 C C . TRP A 1 10 ? -6.457 2.372 2.734 1.00 84.31 10 A 1 ATOM 78 O O . TRP A 1 10 ? -6.064 1.370 3.331 1.00 82.63 10 A 1 ATOM 79 C CB . TRP A 1 10 ? -7.579 1.402 0.692 1.00 83.81 10 A 1 ATOM 80 C CG . TRP A 1 10 ? -7.932 1.584 -0.754 1.00 80.56 10 A 1 ATOM 81 C CD1 . TRP A 1 10 ? -7.376 0.936 -1.801 1.00 73.06 10 A 1 ATOM 82 C CD2 . TRP A 1 10 ? -8.955 2.473 -1.312 1.00 77.18 10 A 1 ATOM 83 N NE1 . TRP A 1 10 ? -7.978 1.363 -2.974 1.00 69.02 10 A 1 ATOM 84 C CE2 . TRP A 1 10 ? -8.959 2.307 -2.728 1.00 72.04 10 A 1 ATOM 85 C CE3 . TRP A 1 10 ? -9.863 3.396 -0.754 1.00 68.03 10 A 1 ATOM 86 C CZ2 . TRP A 1 10 ? -9.846 3.023 -3.566 1.00 70.97 10 A 1 ATOM 87 C CZ3 . TRP A 1 10 ? -10.753 4.113 -1.589 1.00 65.85 10 A 1 ATOM 88 C CH2 . TRP A 1 10 ? -10.744 3.929 -2.979 1.00 66.78 10 A 1 ATOM 89 N N . VAL A 1 11 ? -6.873 3.475 3.355 1.00 84.63 11 A 1 ATOM 90 C CA . VAL A 1 11 ? -7.012 3.628 4.811 1.00 84.03 11 A 1 ATOM 91 C C . VAL A 1 11 ? -8.462 4.019 5.091 1.00 82.91 11 A 1 ATOM 92 O O . VAL A 1 11 ? -8.837 5.180 4.981 1.00 80.02 11 A 1 ATOM 93 C CB . VAL A 1 11 ? -6.025 4.678 5.362 1.00 83.25 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? -6.071 4.694 6.892 1.00 79.14 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -4.585 4.385 4.943 1.00 80.26 11 A 1 ATOM 96 N N . GLY A 1 12 ? -9.295 3.025 5.405 1.00 84.82 12 A 1 ATOM 97 C CA . GLY A 1 12 ? -10.744 3.204 5.415 1.00 82.19 12 A 1 ATOM 98 C C . GLY A 1 12 ? -11.246 3.645 4.037 1.00 82.57 12 A 1 ATOM 99 O O . GLY A 1 12 ? -11.009 2.961 3.056 1.00 79.56 12 A 1 ATOM 100 N N . ASP A 1 13 ? -11.897 4.813 3.975 1.00 82.87 13 A 1 ATOM 101 C CA . ASP A 1 13 ? -12.419 5.381 2.721 1.00 84.35 13 A 1 ATOM 102 C C . ASP A 1 13 ? -11.398 6.263 1.984 1.00 86.99 13 A 1 ATOM 103 O O . ASP A 1 13 ? -11.673 6.742 0.883 1.00 84.33 13 A 1 ATOM 104 C CB . ASP A 1 13 ? -13.710 6.161 3.017 1.00 80.72 13 A 1 ATOM 105 C CG . ASP A 1 13 ? -14.822 5.298 3.620 1.00 74.64 13 A 1 ATOM 106 O OD1 . ASP A 1 13 ? -14.934 4.111 3.235 1.00 68.23 13 A 1 ATOM 107 O OD2 . ASP A 1 13 ? -15.563 5.833 4.468 1.00 69.49 13 A 1 ATOM 108 N N . ASN A 1 14 ? -10.223 6.506 2.571 1.00 84.32 14 A 1 ATOM 109 C CA . ASN A 1 14 ? -9.208 7.364 1.985 1.00 85.45 14 A 1 ATOM 110 C C . ASN A 1 14 ? -8.271 6.561 1.088 1.00 86.15 14 A 1 ATOM 111 O O . ASN A 1 14 ? -7.699 5.559 1.512 1.00 85.36 14 A 1 ATOM 112 C CB . ASN A 1 14 ? -8.418 8.091 3.082 1.00 83.53 14 A 1 ATOM 113 C CG . ASN A 1 14 ? -9.271 9.087 3.840 1.00 77.67 14 A 1 ATOM 114 O OD1 . ASN A 1 14 ? -10.067 9.827 3.289 1.00 70.82 14 A 1 ATOM 115 N ND2 . ASN A 1 14 ? -9.114 9.156 5.139 1.00 70.56 14 A 1 ATOM 116 N N . LEU A 1 15 ? -8.058 7.062 -0.133 1.00 86.87 15 A 1 ATOM 117 C CA . LEU A 1 15 ? -7.041 6.555 -1.063 1.00 87.30 15 A 1 ATOM 118 C C . LEU A 1 15 ? -5.827 7.477 -1.032 1.00 86.84 15 A 1 ATOM 119 O O . LEU A 1 15 ? -5.951 8.671 -1.297 1.00 85.89 15 A 1 ATOM 120 C CB . LEU A 1 15 ? -7.652 6.452 -2.462 1.00 86.09 15 A 1 ATOM 121 C CG . LEU A 1 15 ? -6.680 5.880 -3.512 1.00 81.44 15 A 1 ATOM 122 C CD1 . LEU A 1 15 ? -6.316 4.432 -3.204 1.00 76.33 15 A 1 ATOM 123 C CD2 . LEU A 1 15 ? -7.331 5.922 -4.896 1.00 76.32 15 A 1 ATOM 124 N N . LEU A 1 16 ? -4.656 6.923 -0.748 1.00 86.63 16 A 1 ATOM 125 C CA . LEU A 1 16 ? -3.383 7.615 -0.711 1.00 85.34 16 A 1 ATOM 126 C C . LEU A 1 16 ? -2.458 7.050 -1.792 1.00 85.46 16 A 1 ATOM 127 O O . LEU A 1 16 ? -2.386 5.843 -1.981 1.00 84.43 16 A 1 ATOM 128 C CB . LEU A 1 16 ? -2.760 7.467 0.690 1.00 84.14 16 A 1 ATOM 129 C CG . LEU A 1 16 ? -3.633 7.995 1.845 1.00 80.94 16 A 1 ATOM 130 C CD1 . LEU A 1 16 ? -2.983 7.665 3.191 1.00 76.81 16 A 1 ATOM 131 C CD2 . LEU A 1 16 ? -3.823 9.514 1.775 1.00 75.58 16 A 1 ATOM 132 N N . ASP A 1 17 ? -1.737 7.929 -2.490 1.00 84.52 17 A 1 ATOM 133 C CA . ASP A 1 17 ? -0.701 7.528 -3.448 1.00 83.73 17 A 1 ATOM 134 C C . ASP A 1 17 ? 0.654 7.483 -2.740 1.00 82.51 17 A 1 ATOM 135 O O . ASP A 1 17 ? 1.145 8.494 -2.240 1.00 80.73 17 A 1 ATOM 136 C CB . ASP A 1 17 ? -0.716 8.465 -4.665 1.00 82.03 17 A 1 ATOM 137 C CG . ASP A 1 17 ? 0.163 7.972 -5.827 1.00 80.39 17 A 1 ATOM 138 O OD1 . ASP A 1 17 ? 1.047 7.119 -5.603 1.00 75.66 17 A 1 ATOM 139 O OD2 . ASP A 1 17 ? -0.058 8.441 -6.963 1.00 74.92 17 A 1 ATOM 140 N N . TYR A 1 18 ? 1.238 6.296 -2.690 1.00 81.54 18 A 1 ATOM 141 C CA . TYR A 1 18 ? 2.523 6.000 -2.068 1.00 79.76 18 A 1 ATOM 142 C C . TYR A 1 18 ? 3.602 5.671 -3.120 1.00 78.91 18 A 1 ATOM 143 O O . TYR A 1 18 ? 4.655 5.166 -2.763 1.00 76.30 18 A 1 ATOM 144 C CB . TYR A 1 18 ? 2.350 4.886 -1.026 1.00 78.36 18 A 1 ATOM 145 C CG . TYR A 1 18 ? 1.929 5.396 0.343 1.00 75.94 18 A 1 ATOM 146 C CD1 . TYR A 1 18 ? 2.830 5.340 1.419 1.00 72.02 18 A 1 ATOM 147 C CD2 . TYR A 1 18 ? 0.656 5.953 0.542 1.00 71.77 18 A 1 ATOM 148 C CE1 . TYR A 1 18 ? 2.468 5.833 2.685 1.00 68.53 18 A 1 ATOM 149 C CE2 . TYR A 1 18 ? 0.290 6.457 1.800 1.00 68.49 18 A 1 ATOM 150 C CZ . TYR A 1 18 ? 1.193 6.397 2.880 1.00 67.47 18 A 1 ATOM 151 O OH . TYR A 1 18 ? 0.838 6.900 4.094 1.00 65.97 18 A 1 ATOM 152 N N . THR A 1 19 ? 3.365 5.965 -4.381 1.00 79.64 19 A 1 ATOM 153 C CA . THR A 1 19 ? 4.322 5.671 -5.463 1.00 78.51 19 A 1 ATOM 154 C C . THR A 1 19 ? 5.655 6.399 -5.262 1.00 77.76 19 A 1 ATOM 155 O O . THR A 1 19 ? 6.726 5.859 -5.541 1.00 75.71 19 A 1 ATOM 156 C CB . THR A 1 19 ? 3.722 6.061 -6.818 1.00 77.47 19 A 1 ATOM 157 O OG1 . THR A 1 19 ? 2.457 5.467 -6.975 1.00 74.28 19 A 1 ATOM 158 C CG2 . THR A 1 19 ? 4.577 5.592 -7.987 1.00 74.14 19 A 1 ATOM 159 N N . ARG A 1 20 ? 5.594 7.635 -4.733 1.00 76.98 20 A 1 ATOM 160 C CA . ARG A 1 20 ? 6.764 8.455 -4.400 1.00 76.17 20 A 1 ATOM 161 C C . ARG A 1 20 ? 6.585 9.120 -3.050 1.00 76.13 20 A 1 ATOM 162 O O . ARG A 1 20 ? 5.467 9.331 -2.587 1.00 73.47 20 A 1 ATOM 163 C CB . ARG A 1 20 ? 7.009 9.505 -5.488 1.00 73.54 20 A 1 ATOM 164 C CG . ARG A 1 20 ? 7.419 8.860 -6.815 1.00 69.96 20 A 1 ATOM 165 C CD . ARG A 1 20 ? 7.716 9.929 -7.857 1.00 66.99 20 A 1 ATOM 166 N NE . ARG A 1 20 ? 8.140 9.307 -9.119 1.00 63.75 20 A 1 ATOM 167 C CZ . ARG A 1 20 ? 9.351 9.232 -9.629 1.00 58.17 20 A 1 ATOM 168 N NH1 . ARG A 1 20 ? 10.384 9.805 -9.081 1.00 54.64 20 A 1 ATOM 169 N NH2 . ARG A 1 20 ? 9.527 8.557 -10.714 1.00 51.44 20 A 1 ATOM 170 N N . LYS A 1 21 ? 7.690 9.520 -2.425 1.00 73.33 21 A 1 ATOM 171 C CA . LYS A 1 21 ? 7.650 10.394 -1.252 1.00 73.18 21 A 1 ATOM 172 C C . LYS A 1 21 ? 7.180 11.796 -1.646 1.00 73.67 21 A 1 ATOM 173 O O . LYS A 1 21 ? 7.254 12.194 -2.808 1.00 71.49 21 A 1 ATOM 174 C CB . LYS A 1 21 ? 9.022 10.462 -0.589 1.00 71.30 21 A 1 ATOM 175 C CG . LYS A 1 21 ? 9.506 9.106 -0.097 1.00 69.24 21 A 1 ATOM 176 C CD . LYS A 1 21 ? 10.852 9.280 0.603 1.00 67.22 21 A 1 ATOM 177 C CE . LYS A 1 21 ? 11.484 7.921 0.856 1.00 63.78 21 A 1 ATOM 178 N NZ . LYS A 1 21 ? 12.877 8.069 1.291 1.00 58.92 21 A 1 ATOM 179 N N . SER A 1 22 ? 6.772 12.571 -0.646 1.00 73.05 22 A 1 ATOM 180 C CA . SER A 1 22 ? 6.334 13.957 -0.830 1.00 71.98 22 A 1 ATOM 181 C C . SER A 1 22 ? 7.405 14.873 -1.457 1.00 72.71 22 A 1 ATOM 182 O O . SER A 1 22 ? 7.063 15.849 -2.109 1.00 69.74 22 A 1 ATOM 183 C CB . SER A 1 22 ? 5.901 14.534 0.519 1.00 69.46 22 A 1 ATOM 184 O OG . SER A 1 22 ? 6.940 14.414 1.471 1.00 64.95 22 A 1 ATOM 185 N N . ASP A 1 23 ? 8.681 14.534 -1.283 1.00 75.53 23 A 1 ATOM 186 C CA . ASP A 1 23 ? 9.813 15.234 -1.889 1.00 75.39 23 A 1 ATOM 187 C C . ASP A 1 23 ? 10.165 14.733 -3.308 1.00 75.68 23 A 1 ATOM 188 O O . ASP A 1 23 ? 11.124 15.206 -3.915 1.00 71.94 23 A 1 ATOM 189 C CB . ASP A 1 23 ? 11.018 15.173 -0.935 1.00 73.86 23 A 1 ATOM 190 C CG . ASP A 1 23 ? 11.613 13.777 -0.757 1.00 72.01 23 A 1 ATOM 191 O OD1 . ASP A 1 23 ? 11.133 12.814 -1.390 1.00 67.96 23 A 1 ATOM 192 O OD2 . ASP A 1 23 ? 12.573 13.643 0.023 1.00 70.57 23 A 1 ATOM 193 N N . GLY A 1 24 ? 9.397 13.780 -3.842 1.00 71.58 24 A 1 ATOM 194 C CA . GLY A 1 24 ? 9.606 13.173 -5.150 1.00 70.00 24 A 1 ATOM 195 C C . GLY A 1 24 ? 10.674 12.076 -5.192 1.00 71.27 24 A 1 ATOM 196 O O . GLY A 1 24 ? 10.881 11.474 -6.252 1.00 68.20 24 A 1 ATOM 197 N N . SER A 1 25 ? 11.347 11.798 -4.076 1.00 71.31 25 A 1 ATOM 198 C CA . SER A 1 25 ? 12.321 10.707 -4.004 1.00 71.15 25 A 1 ATOM 199 C C . SER A 1 25 ? 11.641 9.329 -4.058 1.00 71.57 25 A 1 ATOM 200 O O . SER A 1 25 ? 10.472 9.190 -3.670 1.00 69.27 25 A 1 ATOM 201 C CB . SER A 1 25 ? 13.235 10.852 -2.785 1.00 69.89 25 A 1 ATOM 202 O OG . SER A 1 25 ? 12.557 10.651 -1.576 1.00 67.01 25 A 1 ATOM 203 N N . PRO A 1 26 ? 12.337 8.283 -4.538 1.00 68.06 26 A 1 ATOM 204 C CA . PRO A 1 26 ? 11.772 6.946 -4.590 1.00 66.75 26 A 1 ATOM 205 C C . PRO A 1 26 ? 11.511 6.409 -3.184 1.00 67.97 26 A 1 ATOM 206 O O . PRO A 1 26 ? 12.254 6.663 -2.225 1.00 66.21 26 A 1 ATOM 207 C CB . PRO A 1 26 ? 12.782 6.092 -5.364 1.00 63.99 26 A 1 ATOM 208 C CG . PRO A 1 26 ? 14.110 6.807 -5.130 1.00 62.15 26 A 1 ATOM 209 C CD . PRO A 1 26 ? 13.693 8.279 -5.065 1.00 64.15 26 A 1 ATOM 210 N N . MET A 1 27 ? 10.451 5.635 -3.074 1.00 67.45 27 A 1 ATOM 211 C CA . MET A 1 27 ? 10.099 4.933 -1.856 1.00 67.69 27 A 1 ATOM 212 C C . MET A 1 27 ? 11.058 3.773 -1.629 1.00 69.51 27 A 1 ATOM 213 O O . MET A 1 27 ? 11.369 3.020 -2.545 1.00 67.64 27 A 1 ATOM 214 C CB . MET A 1 27 ? 8.652 4.453 -1.968 1.00 64.66 27 A 1 ATOM 215 C CG . MET A 1 27 ? 7.689 5.626 -2.090 1.00 60.84 27 A 1 ATOM 216 S SD . MET A 1 27 ? 7.435 6.537 -0.549 1.00 57.23 27 A 1 ATOM 217 C CE . MET A 1 27 ? 6.146 5.472 0.130 1.00 53.74 27 A 1 ATOM 218 N N . THR A 1 28 ? 11.525 3.637 -0.392 1.00 69.97 28 A 1 ATOM 219 C CA . THR A 1 28 ? 12.333 2.489 0.006 1.00 70.39 28 A 1 ATOM 220 C C . THR A 1 28 ? 11.512 1.576 0.896 1.00 72.36 28 A 1 ATOM 221 O O . THR A 1 28 ? 10.586 2.026 1.578 1.00 71.44 28 A 1 ATOM 222 C CB . THR A 1 28 ? 13.636 2.886 0.718 1.00 67.73 28 A 1 ATOM 223 O OG1 . THR A 1 28 ? 13.371 3.526 1.950 1.00 62.37 28 A 1 ATOM 224 C CG2 . THR A 1 28 ? 14.493 3.830 -0.127 1.00 61.47 28 A 1 ATOM 225 N N . PHE A 1 29 ? 11.885 0.308 0.948 1.00 69.50 29 A 1 ATOM 226 C CA . PHE A 1 29 ? 11.217 -0.673 1.786 1.00 70.05 29 A 1 ATOM 227 C C . PHE A 1 29 ? 11.122 -0.242 3.262 1.00 72.43 29 A 1 ATOM 228 O O . PHE A 1 29 ? 10.054 -0.339 3.869 1.00 71.38 29 A 1 ATOM 229 C CB . PHE A 1 29 ? 11.968 -2.002 1.649 1.00 67.37 29 A 1 ATOM 230 C CG . PHE A 1 29 ? 11.382 -3.049 2.554 1.00 63.59 29 A 1 ATOM 231 C CD1 . PHE A 1 29 ? 11.950 -3.278 3.828 1.00 58.83 29 A 1 ATOM 232 C CD2 . PHE A 1 29 ? 10.151 -3.624 2.208 1.00 59.42 29 A 1 ATOM 233 C CE1 . PHE A 1 29 ? 11.265 -4.040 4.762 1.00 53.96 29 A 1 ATOM 234 C CE2 . PHE A 1 29 ? 9.466 -4.379 3.147 1.00 53.71 29 A 1 ATOM 235 C CZ . PHE A 1 29 ? 10.016 -4.571 4.429 1.00 53.24 29 A 1 ATOM 236 N N . LEU A 1 30 ? 12.206 0.284 3.830 1.00 72.12 30 A 1 ATOM 237 C CA . LEU A 1 30 ? 12.232 0.744 5.224 1.00 72.89 30 A 1 ATOM 238 C C . LEU A 1 30 ? 11.265 1.899 5.460 1.00 73.51 30 A 1 ATOM 239 O O . LEU A 1 30 ? 10.642 1.979 6.509 1.00 72.68 30 A 1 ATOM 240 C CB . LEU A 1 30 ? 13.656 1.192 5.592 1.00 72.60 30 A 1 ATOM 241 C CG . LEU A 1 30 ? 14.674 0.051 5.733 1.00 67.39 30 A 1 ATOM 242 C CD1 . LEU A 1 30 ? 16.067 0.647 5.932 1.00 62.84 30 A 1 ATOM 243 C CD2 . LEU A 1 30 ? 14.369 -0.845 6.927 1.00 63.74 30 A 1 ATOM 244 N N . TRP A 1 31 ? 11.138 2.794 4.485 1.00 73.13 31 A 1 ATOM 245 C CA . TRP A 1 31 ? 10.206 3.913 4.585 1.00 73.05 31 A 1 ATOM 246 C C . TRP A 1 31 ? 8.759 3.422 4.523 1.00 74.30 31 A 1 ATOM 247 O O . TRP A 1 31 ? 7.959 3.816 5.356 1.00 73.28 31 A 1 ATOM 248 C CB . TRP A 1 31 ? 10.548 4.935 3.510 1.00 70.65 31 A 1 ATOM 249 C CG . TRP A 1 31 ? 9.805 6.215 3.662 1.00 65.43 31 A 1 ATOM 250 C CD1 . TRP A 1 31 ? 10.264 7.332 4.268 1.00 58.79 31 A 1 ATOM 251 C CD2 . TRP A 1 31 ? 8.445 6.535 3.227 1.00 61.44 31 A 1 ATOM 252 N NE1 . TRP A 1 31 ? 9.305 8.327 4.217 1.00 53.70 31 A 1 ATOM 253 C CE2 . TRP A 1 31 ? 8.166 7.888 3.581 1.00 55.57 31 A 1 ATOM 254 C CE3 . TRP A 1 31 ? 7.437 5.822 2.565 1.00 53.42 31 A 1 ATOM 255 C CZ2 . TRP A 1 31 ? 6.940 8.505 3.269 1.00 53.82 31 A 1 ATOM 256 C CZ3 . TRP A 1 31 ? 6.209 6.432 2.258 1.00 50.97 31 A 1 ATOM 257 C CH2 . TRP A 1 31 ? 5.959 7.759 2.604 1.00 50.69 31 A 1 ATOM 258 N N . TYR A 1 32 ? 8.430 2.490 3.620 1.00 74.11 32 A 1 ATOM 259 C CA . TYR A 1 32 ? 7.120 1.843 3.582 1.00 74.55 32 A 1 ATOM 260 C C . TYR A 1 32 ? 6.762 1.173 4.901 1.00 75.45 32 A 1 ATOM 261 O O . TYR A 1 32 ? 5.634 1.290 5.351 1.00 74.83 32 A 1 ATOM 262 C CB . TYR A 1 32 ? 7.061 0.792 2.470 1.00 73.40 32 A 1 ATOM 263 C CG . TYR A 1 32 ? 6.664 1.333 1.129 1.00 71.43 32 A 1 ATOM 264 C CD1 . TYR A 1 32 ? 5.350 1.784 0.929 1.00 67.01 32 A 1 ATOM 265 C CD2 . TYR A 1 32 ? 7.582 1.358 0.068 1.00 67.66 32 A 1 ATOM 266 C CE1 . TYR A 1 32 ? 4.954 2.274 -0.323 1.00 64.07 32 A 1 ATOM 267 C CE2 . TYR A 1 32 ? 7.200 1.847 -1.184 1.00 64.14 32 A 1 ATOM 268 C CZ . TYR A 1 32 ? 5.884 2.309 -1.381 1.00 63.95 32 A 1 ATOM 269 O OH . TYR A 1 32 ? 5.517 2.798 -2.588 1.00 62.31 32 A 1 ATOM 270 N N . GLU A 1 33 ? 7.684 0.492 5.544 1.00 73.98 33 A 1 ATOM 271 C CA . GLU A 1 33 ? 7.444 -0.191 6.812 1.00 74.22 33 A 1 ATOM 272 C C . GLU A 1 33 ? 7.028 0.787 7.919 1.00 76.08 33 A 1 ATOM 273 O O . GLU A 1 33 ? 6.102 0.499 8.679 1.00 76.33 33 A 1 ATOM 274 C CB . GLU A 1 33 ? 8.694 -0.982 7.209 1.00 71.89 33 A 1 ATOM 275 C CG . GLU A 1 33 ? 8.402 -1.914 8.392 1.00 65.14 33 A 1 ATOM 276 C CD . GLU A 1 33 ? 9.636 -2.644 8.945 1.00 61.05 33 A 1 ATOM 277 O OE1 . GLU A 1 33 ? 9.513 -3.154 10.092 1.00 56.34 33 A 1 ATOM 278 O OE2 . GLU A 1 33 ? 10.680 -2.706 8.263 1.00 55.58 33 A 1 ATOM 279 N N . GLU A 1 34 ? 7.671 1.948 8.012 1.00 76.22 34 A 1 ATOM 280 C CA . GLU A 1 34 ? 7.335 2.965 9.007 1.00 77.58 34 A 1 ATOM 281 C C . GLU A 1 34 ? 6.002 3.657 8.685 1.00 79.34 34 A 1 ATOM 282 O O . GLU A 1 34 ? 5.107 3.692 9.540 1.00 78.76 34 A 1 ATOM 283 C CB . GLU A 1 34 ? 8.492 3.965 9.148 1.00 76.59 34 A 1 ATOM 284 C CG . GLU A 1 34 ? 9.753 3.345 9.763 1.00 70.47 34 A 1 ATOM 285 C CD . GLU A 1 34 ? 9.503 2.734 11.162 1.00 64.17 34 A 1 ATOM 286 O OE1 . GLU A 1 34 ? 9.697 1.505 11.353 1.00 58.94 34 A 1 ATOM 287 O OE2 . GLU A 1 34 ? 9.052 3.473 12.052 1.00 58.50 34 A 1 ATOM 288 N N . GLU A 1 35 ? 5.784 4.086 7.441 1.00 78.84 35 A 1 ATOM 289 C CA . GLU A 1 35 ? 4.531 4.713 7.014 1.00 79.28 35 A 1 ATOM 290 C C . GLU A 1 35 ? 3.333 3.770 7.181 1.00 80.90 35 A 1 ATOM 291 O O . GLU A 1 35 ? 2.231 4.184 7.534 1.00 80.85 35 A 1 ATOM 292 C CB . GLU A 1 35 ? 4.637 5.105 5.539 1.00 77.79 35 A 1 ATOM 293 C CG . GLU A 1 35 ? 5.594 6.281 5.310 1.00 73.57 35 A 1 ATOM 294 C CD . GLU A 1 35 ? 5.038 7.637 5.761 1.00 70.70 35 A 1 ATOM 295 O OE1 . GLU A 1 35 ? 5.830 8.420 6.323 1.00 65.18 35 A 1 ATOM 296 O OE2 . GLU A 1 35 ? 3.867 7.924 5.432 1.00 64.19 35 A 1 ATOM 297 N N . LEU A 1 36 ? 3.534 2.477 6.979 1.00 78.73 36 A 1 ATOM 298 C CA . LEU A 1 36 ? 2.513 1.461 7.196 1.00 78.79 36 A 1 ATOM 299 C C . LEU A 1 36 ? 2.069 1.358 8.642 1.00 79.62 36 A 1 ATOM 300 O O . LEU A 1 36 ? 0.872 1.227 8.905 1.00 79.49 36 A 1 ATOM 301 C CB . LEU A 1 36 ? 3.073 0.109 6.736 1.00 77.57 36 A 1 ATOM 302 C CG . LEU A 1 36 ? 2.804 -0.122 5.266 1.00 74.65 36 A 1 ATOM 303 C CD1 . LEU A 1 36 ? 3.581 -1.363 4.816 1.00 72.07 36 A 1 ATOM 304 C CD2 . LEU A 1 36 ? 1.299 -0.303 5.081 1.00 72.14 36 A 1 ATOM 305 N N . LYS A 1 37 ? 3.003 1.414 9.585 1.00 78.61 37 A 1 ATOM 306 C CA . LYS A 1 37 ? 2.685 1.412 11.007 1.00 79.09 37 A 1 ATOM 307 C C . LYS A 1 37 ? 1.853 2.644 11.367 1.00 81.17 37 A 1 ATOM 308 O O . LYS A 1 37 ? 0.844 2.517 12.062 1.00 81.43 37 A 1 ATOM 309 C CB . LYS A 1 37 ? 3.972 1.376 11.841 1.00 76.71 37 A 1 ATOM 310 C CG . LYS A 1 37 ? 4.724 0.044 11.740 1.00 69.46 37 A 1 ATOM 311 C CD . LYS A 1 37 ? 6.121 0.199 12.358 1.00 64.78 37 A 1 ATOM 312 C CE . LYS A 1 37 ? 7.005 -1.004 12.066 1.00 57.71 37 A 1 ATOM 313 N NZ . LYS A 1 37 ? 8.435 -0.689 12.325 1.00 51.79 37 A 1 ATOM 314 N N . GLU A 1 38 ? 2.228 3.805 10.845 1.00 81.26 38 A 1 ATOM 315 C CA . GLU A 1 38 ? 1.487 5.047 11.052 1.00 83.14 38 A 1 ATOM 316 C C . GLU A 1 38 ? 0.084 4.984 10.422 1.00 85.18 38 A 1 ATOM 317 O O . GLU A 1 38 ? -0.901 5.330 11.069 1.00 85.38 38 A 1 ATOM 318 C CB . GLU A 1 38 ? 2.267 6.242 10.512 1.00 82.45 38 A 1 ATOM 319 C CG . GLU A 1 38 ? 3.569 6.481 11.289 1.00 77.08 38 A 1 ATOM 320 C CD . GLU A 1 38 ? 4.244 7.819 10.971 1.00 71.90 38 A 1 ATOM 321 O OE1 . GLU A 1 38 ? 5.281 8.099 11.623 1.00 64.43 38 A 1 ATOM 322 O OE2 . GLU A 1 38 ? 3.686 8.600 10.171 1.00 64.72 38 A 1 ATOM 323 N N . ALA A 1 39 ? -0.033 4.471 9.198 1.00 84.72 39 A 1 ATOM 324 C CA . ALA A 1 39 ? -1.300 4.331 8.494 1.00 85.11 39 A 1 ATOM 325 C C . ALA A 1 39 ? -2.263 3.366 9.217 1.00 86.06 39 A 1 ATOM 326 O O . ALA A 1 39 ? -3.453 3.665 9.337 1.00 85.68 39 A 1 ATOM 327 C CB . ALA A 1 39 ? -1.018 3.878 7.061 1.00 83.89 39 A 1 ATOM 328 N N . ILE A 1 40 ? -1.770 2.259 9.755 1.00 83.39 40 A 1 ATOM 329 C CA . ILE A 1 40 ? -2.569 1.348 10.579 1.00 83.09 40 A 1 ATOM 330 C C . ILE A 1 40 ? -3.011 2.040 11.873 1.00 83.68 40 A 1 ATOM 331 O O . ILE A 1 40 ? -4.177 1.936 12.256 1.00 83.20 40 A 1 ATOM 332 C CB . ILE A 1 40 ? -1.795 0.039 10.864 1.00 81.41 40 A 1 ATOM 333 C CG1 . ILE A 1 40 ? -1.673 -0.785 9.565 1.00 77.98 40 A 1 ATOM 334 C CG2 . ILE A 1 40 ? -2.489 -0.799 11.951 1.00 75.98 40 A 1 ATOM 335 C CD1 . ILE A 1 40 ? -0.670 -1.932 9.654 1.00 71.83 40 A 1 ATOM 336 N N . GLY A 1 41 ? -2.125 2.788 12.518 1.00 84.29 41 A 1 ATOM 337 C CA . GLY A 1 41 ? -2.462 3.593 13.695 1.00 84.45 41 A 1 ATOM 338 C C . GLY A 1 41 ? -3.560 4.620 13.407 1.00 86.26 41 A 1 ATOM 339 O O . GLY A 1 41 ? -4.510 4.754 14.183 1.00 85.80 41 A 1 ATOM 340 N N . TYR A 1 42 ? -3.488 5.292 12.263 1.00 86.27 42 A 1 ATOM 341 C CA . TYR A 1 42 ? -4.511 6.233 11.803 1.00 87.19 42 A 1 ATOM 342 C C . TYR A 1 42 ? -5.838 5.532 11.484 1.00 88.16 42 A 1 ATOM 343 O O . TYR A 1 42 ? -6.897 5.985 11.929 1.00 87.84 42 A 1 ATOM 344 C CB . TYR A 1 42 ? -3.986 7.003 10.588 1.00 86.81 42 A 1 ATOM 345 C CG . TYR A 1 42 ? -4.980 8.014 10.061 1.00 83.43 42 A 1 ATOM 346 C CD1 . TYR A 1 42 ? -5.783 7.709 8.947 1.00 79.09 42 A 1 ATOM 347 C CD2 . TYR A 1 42 ? -5.142 9.249 10.720 1.00 78.66 42 A 1 ATOM 348 C CE1 . TYR A 1 42 ? -6.739 8.630 8.493 1.00 76.03 42 A 1 ATOM 349 C CE2 . TYR A 1 42 ? -6.096 10.169 10.273 1.00 75.45 42 A 1 ATOM 350 C CZ . TYR A 1 42 ? -6.901 9.860 9.161 1.00 74.58 42 A 1 ATOM 351 O OH . TYR A 1 42 ? -7.844 10.747 8.732 1.00 73.77 42 A 1 ATOM 352 N N . SER A 1 43 ? -5.800 4.405 10.780 1.00 85.33 43 A 1 ATOM 353 C CA . SER A 1 43 ? -6.976 3.586 10.477 1.00 84.79 43 A 1 ATOM 354 C C . SER A 1 43 ? -7.703 3.172 11.760 1.00 84.14 43 A 1 ATOM 355 O O . SER A 1 43 ? -8.913 3.378 11.899 1.00 84.03 43 A 1 ATOM 356 C CB . SER A 1 43 ? -6.551 2.353 9.677 1.00 84.17 43 A 1 ATOM 357 O OG . SER A 1 43 ? -7.677 1.578 9.333 1.00 76.76 43 A 1 ATOM 358 N N . LYS A 1 44 ? -6.953 2.694 12.737 1.00 86.31 44 A 1 ATOM 359 C CA . LYS A 1 44 ? -7.466 2.300 14.048 1.00 84.92 44 A 1 ATOM 360 C C . LYS A 1 44 ? -8.112 3.459 14.798 1.00 85.08 44 A 1 ATOM 361 O O . LYS A 1 44 ? -9.187 3.296 15.361 1.00 84.01 44 A 1 ATOM 362 C CB . LYS A 1 44 ? -6.301 1.714 14.840 1.00 82.87 44 A 1 ATOM 363 C CG . LYS A 1 44 ? -6.672 1.200 16.237 1.00 75.87 44 A 1 ATOM 364 C CD . LYS A 1 44 ? -5.383 0.630 16.836 1.00 73.76 44 A 1 ATOM 365 C CE . LYS A 1 44 ? -5.569 -0.079 18.169 1.00 67.32 44 A 1 ATOM 366 N NZ . LYS A 1 44 ? -4.322 -0.841 18.446 1.00 61.57 44 A 1 ATOM 367 N N . SER A 1 45 ? -7.479 4.625 14.824 1.00 88.19 45 A 1 ATOM 368 C CA . SER A 1 45 ? -7.985 5.784 15.565 1.00 87.89 45 A 1 ATOM 369 C C . SER A 1 45 ? -9.193 6.449 14.903 1.00 87.86 45 A 1 ATOM 370 O O . SER A 1 45 ? -10.054 6.982 15.598 1.00 86.50 45 A 1 ATOM 371 C CB . SER A 1 45 ? -6.875 6.807 15.793 1.00 87.33 45 A 1 ATOM 372 O OG . SER A 1 45 ? -6.359 7.313 14.580 1.00 79.95 45 A 1 ATOM 373 N N . THR A 1 46 ? -9.279 6.408 13.570 1.00 88.30 46 A 1 ATOM 374 C CA . THR A 1 46 ? -10.286 7.142 12.789 1.00 87.72 46 A 1 ATOM 375 C C . THR A 1 46 ? -11.480 6.270 12.407 1.00 87.58 46 A 1 ATOM 376 O O . THR A 1 46 ? -12.614 6.750 12.421 1.00 84.90 46 A 1 ATOM 377 C CB . THR A 1 46 ? -9.653 7.754 11.533 1.00 86.94 46 A 1 ATOM 378 O OG1 . THR A 1 46 ? -8.523 8.511 11.905 1.00 82.52 46 A 1 ATOM 379 C CG2 . THR A 1 46 ? -10.594 8.692 10.792 1.00 80.58 46 A 1 ATOM 380 N N . TYR A 1 47 ? -11.242 5.014 12.067 1.00 86.04 47 A 1 ATOM 381 C CA . TYR A 1 47 ? -12.253 4.111 11.509 1.00 84.70 47 A 1 ATOM 382 C C . TYR A 1 47 ? -12.509 2.861 12.366 1.00 84.12 47 A 1 ATOM 383 O O . TYR A 1 47 ? -13.361 2.053 12.005 1.00 79.55 47 A 1 ATOM 384 C CB . TYR A 1 47 ? -11.836 3.713 10.090 1.00 84.05 47 A 1 ATOM 385 C CG . TYR A 1 47 ? -11.680 4.882 9.139 1.00 84.10 47 A 1 ATOM 386 C CD1 . TYR A 1 47 ? -12.824 5.531 8.631 1.00 80.21 47 A 1 ATOM 387 C CD2 . TYR A 1 47 ? -10.406 5.341 8.773 1.00 81.38 47 A 1 ATOM 388 C CE1 . TYR A 1 47 ? -12.697 6.623 7.772 1.00 78.00 47 A 1 ATOM 389 C CE2 . TYR A 1 47 ? -10.272 6.443 7.904 1.00 78.26 47 A 1 ATOM 390 C CZ . TYR A 1 47 ? -11.421 7.090 7.409 1.00 80.16 47 A 1 ATOM 391 O OH . TYR A 1 47 ? -11.301 8.161 6.579 1.00 77.82 47 A 1 ATOM 392 N N . ASP A 1 48 ? -11.779 2.686 13.455 1.00 81.63 48 A 1 ATOM 393 C CA . ASP A 1 48 ? -11.778 1.455 14.267 1.00 80.88 48 A 1 ATOM 394 C C . ASP A 1 48 ? -11.389 0.188 13.469 1.00 80.90 48 A 1 ATOM 395 O O . ASP A 1 48 ? -11.664 -0.945 13.857 1.00 77.33 48 A 1 ATOM 396 C CB . ASP A 1 48 ? -13.083 1.351 15.073 1.00 78.96 48 A 1 ATOM 397 C CG . ASP A 1 48 ? -12.972 0.448 16.304 1.00 71.98 48 A 1 ATOM 398 O OD1 . ASP A 1 48 ? -11.872 0.404 16.910 1.00 66.57 48 A 1 ATOM 399 O OD2 . ASP A 1 48 ? -14.005 -0.130 16.687 1.00 66.09 48 A 1 ATOM 400 N N . PHE A 1 49 ? -10.732 0.367 12.329 1.00 80.18 49 A 1 ATOM 401 C CA . PHE A 1 49 ? -10.200 -0.720 11.517 1.00 79.19 49 A 1 ATOM 402 C C . PHE A 1 49 ? -8.711 -0.889 11.773 1.00 79.76 49 A 1 ATOM 403 O O . PHE A 1 49 ? -7.922 0.019 11.544 1.00 77.68 49 A 1 ATOM 404 C CB . PHE A 1 49 ? -10.468 -0.483 10.021 1.00 76.53 49 A 1 ATOM 405 C CG . PHE A 1 49 ? -11.926 -0.373 9.631 1.00 72.10 49 A 1 ATOM 406 C CD1 . PHE A 1 49 ? -12.880 -1.260 10.148 1.00 67.98 49 A 1 ATOM 407 C CD2 . PHE A 1 49 ? -12.336 0.632 8.733 1.00 67.36 49 A 1 ATOM 408 C CE1 . PHE A 1 49 ? -14.238 -1.138 9.795 1.00 62.90 49 A 1 ATOM 409 C CE2 . PHE A 1 49 ? -13.684 0.761 8.374 1.00 63.36 49 A 1 ATOM 410 C CZ . PHE A 1 49 ? -14.642 -0.123 8.907 1.00 61.07 49 A 1 ATOM 411 N N . ARG A 1 50 ? -8.302 -2.084 12.183 1.00 79.04 50 A 1 ATOM 412 C CA . ARG A 1 50 ? -6.896 -2.443 12.397 1.00 78.27 50 A 1 ATOM 413 C C . ARG A 1 50 ? -6.265 -3.033 11.140 1.00 79.00 50 A 1 ATOM 414 O O . ARG A 1 50 ? -5.616 -4.078 11.195 1.00 76.53 50 A 1 ATOM 415 C CB . ARG A 1 50 ? -6.762 -3.376 13.601 1.00 75.71 50 A 1 ATOM 416 C CG . ARG A 1 50 ? -7.294 -2.730 14.881 1.00 70.48 50 A 1 ATOM 417 C CD . ARG A 1 50 ? -7.033 -3.678 16.046 1.00 66.76 50 A 1 ATOM 418 N NE . ARG A 1 50 ? -7.617 -3.163 17.286 1.00 62.56 50 A 1 ATOM 419 C CZ . ARG A 1 50 ? -7.473 -3.717 18.472 1.00 56.25 50 A 1 ATOM 420 N NH1 . ARG A 1 50 ? -6.710 -4.759 18.654 1.00 52.86 50 A 1 ATOM 421 N NH2 . ARG A 1 50 ? -8.109 -3.238 19.495 1.00 49.00 50 A 1 ATOM 422 N N . ARG A 1 51 ? -6.513 -2.410 9.995 1.00 80.40 51 A 1 ATOM 423 C CA . ARG A 1 51 ? -6.006 -2.887 8.708 1.00 81.38 51 A 1 ATOM 424 C C . ARG A 1 51 ? -5.835 -1.747 7.715 1.00 82.58 51 A 1 ATOM 425 O O . ARG A 1 51 ? -6.512 -0.728 7.812 1.00 81.92 51 A 1 ATOM 426 C CB . ARG A 1 51 ? -6.919 -3.987 8.149 1.00 79.05 51 A 1 ATOM 427 C CG . ARG A 1 51 ? -8.265 -3.449 7.633 1.00 75.84 51 A 1 ATOM 428 C CD . ARG A 1 51 ? -9.114 -4.597 7.100 1.00 74.93 51 A 1 ATOM 429 N NE . ARG A 1 51 ? -10.302 -4.078 6.404 1.00 70.07 51 A 1 ATOM 430 C CZ . ARG A 1 51 ? -11.504 -4.633 6.349 1.00 65.52 51 A 1 ATOM 431 N NH1 . ARG A 1 51 ? -11.759 -5.748 6.954 1.00 60.78 51 A 1 ATOM 432 N NH2 . ARG A 1 51 ? -12.450 -4.051 5.690 1.00 59.46 51 A 1 ATOM 433 N N . VAL A 1 52 ? -4.998 -1.983 6.735 1.00 81.74 52 A 1 ATOM 434 C CA . VAL A 1 52 ? -4.865 -1.167 5.526 1.00 82.33 52 A 1 ATOM 435 C C . VAL A 1 52 ? -4.777 -2.082 4.312 1.00 82.67 52 A 1 ATOM 436 O O . VAL A 1 52 ? -4.278 -3.205 4.418 1.00 82.32 52 A 1 ATOM 437 C CB . VAL A 1 52 ? -3.647 -0.219 5.592 1.00 81.79 52 A 1 ATOM 438 C CG1 . VAL A 1 52 ? -3.796 0.785 6.734 1.00 77.57 52 A 1 ATOM 439 C CG2 . VAL A 1 52 ? -2.315 -0.967 5.772 1.00 77.98 52 A 1 ATOM 440 N N . ASP A 1 53 ? -5.261 -1.620 3.167 1.00 83.22 53 A 1 ATOM 441 C CA . ASP A 1 53 ? -5.245 -2.381 1.918 1.00 83.46 53 A 1 ATOM 442 C C . ASP A 1 53 ? -4.279 -1.727 0.934 1.00 83.68 53 A 1 ATOM 443 O O . ASP A 1 53 ? -4.415 -0.557 0.591 1.00 82.90 53 A 1 ATOM 444 C CB . ASP A 1 53 ? -6.662 -2.503 1.345 1.00 82.09 53 A 1 ATOM 445 C CG . ASP A 1 53 ? -7.640 -3.237 2.269 1.00 76.78 53 A 1 ATOM 446 O OD1 . ASP A 1 53 ? -7.312 -4.348 2.733 1.00 72.51 53 A 1 ATOM 447 O OD2 . ASP A 1 53 ? -8.753 -2.717 2.505 1.00 71.43 53 A 1 ATOM 448 N N . PHE A 1 54 ? -3.299 -2.497 0.461 1.00 80.51 54 A 1 ATOM 449 C CA . PHE A 1 54 ? -2.361 -2.091 -0.577 1.00 79.98 54 A 1 ATOM 450 C C . PHE A 1 54 ? -2.809 -2.582 -1.936 1.00 81.09 54 A 1 ATOM 451 O O . PHE A 1 54 ? -3.033 -3.771 -2.118 1.00 79.54 54 A 1 ATOM 452 C CB . PHE A 1 54 ? -0.974 -2.668 -0.311 1.00 77.01 54 A 1 ATOM 453 C CG . PHE A 1 54 ? -0.164 -1.822 0.601 1.00 73.65 54 A 1 ATOM 454 C CD1 . PHE A 1 54 ? 0.536 -0.709 0.079 1.00 68.63 54 A 1 ATOM 455 C CD2 . PHE A 1 54 ? -0.051 -2.177 1.946 1.00 67.97 54 A 1 ATOM 456 C CE1 . PHE A 1 54 ? 1.395 0.021 0.902 1.00 63.48 54 A 1 ATOM 457 C CE2 . PHE A 1 54 ? 0.808 -1.448 2.763 1.00 62.96 54 A 1 ATOM 458 C CZ . PHE A 1 54 ? 1.547 -0.356 2.244 1.00 62.57 54 A 1 ATOM 459 N N . HIS A 1 55 ? -2.822 -1.682 -2.907 1.00 82.05 55 A 1 ATOM 460 C CA . HIS A 1 55 ? -3.011 -2.007 -4.311 1.00 82.35 55 A 1 ATOM 461 C C . HIS A 1 55 ? -1.767 -1.601 -5.096 1.00 81.85 55 A 1 ATOM 462 O O . HIS A 1 55 ? -1.435 -0.428 -5.209 1.00 81.03 55 A 1 ATOM 463 C CB . HIS A 1 55 ? -4.265 -1.321 -4.858 1.00 82.21 55 A 1 ATOM 464 C CG . HIS A 1 55 ? -5.580 -1.784 -4.274 1.00 80.66 55 A 1 ATOM 465 N ND1 . HIS A 1 55 ? -6.830 -1.330 -4.680 1.00 70.75 55 A 1 ATOM 466 C CD2 . HIS A 1 55 ? -5.804 -2.706 -3.289 1.00 71.74 55 A 1 ATOM 467 C CE1 . HIS A 1 55 ? -7.749 -1.964 -3.946 1.00 71.59 55 A 1 ATOM 468 N NE2 . HIS A 1 55 ? -7.178 -2.813 -3.091 1.00 73.60 55 A 1 ATOM 469 N N . PHE A 1 56 ? -1.108 -2.583 -5.667 1.00 79.55 56 A 1 ATOM 470 C CA . PHE A 1 56 ? -0.035 -2.394 -6.619 1.00 79.24 56 A 1 ATOM 471 C C . PHE A 1 56 ? -0.628 -2.427 -8.019 1.00 79.75 56 A 1 ATOM 472 O O . PHE A 1 56 ? -1.202 -3.442 -8.425 1.00 78.53 56 A 1 ATOM 473 C CB . PHE A 1 56 ? 1.028 -3.466 -6.428 1.00 77.21 56 A 1 ATOM 474 C CG . PHE A 1 56 ? 1.671 -3.380 -5.063 1.00 72.47 56 A 1 ATOM 475 C CD1 . PHE A 1 56 ? 2.760 -2.518 -4.864 1.00 68.19 56 A 1 ATOM 476 C CD2 . PHE A 1 56 ? 1.158 -4.115 -3.979 1.00 67.24 56 A 1 ATOM 477 C CE1 . PHE A 1 56 ? 3.346 -2.408 -3.599 1.00 63.83 56 A 1 ATOM 478 C CE2 . PHE A 1 56 ? 1.746 -4.000 -2.711 1.00 63.31 56 A 1 ATOM 479 C CZ . PHE A 1 56 ? 2.850 -3.149 -2.519 1.00 63.64 56 A 1 ATOM 480 N N . VAL A 1 57 ? -0.515 -1.325 -8.736 1.00 81.06 57 A 1 ATOM 481 C CA . VAL A 1 57 ? -1.059 -1.158 -10.077 1.00 80.99 57 A 1 ATOM 482 C C . VAL A 1 57 ? 0.110 -0.976 -11.028 1.00 80.08 57 A 1 ATOM 483 O O . VAL A 1 57 ? 0.851 -0.006 -10.910 1.00 78.36 57 A 1 ATOM 484 C CB . VAL A 1 57 ? -2.023 0.039 -10.140 1.00 80.32 57 A 1 ATOM 485 C CG1 . VAL A 1 57 ? -2.660 0.155 -11.531 1.00 76.37 57 A 1 ATOM 486 C CG2 . VAL A 1 57 ? -3.145 -0.086 -9.105 1.00 77.85 57 A 1 ATOM 487 N N . THR A 1 58 ? 0.252 -1.893 -11.966 1.00 77.73 58 A 1 ATOM 488 C CA . THR A 1 58 ? 1.198 -1.775 -13.078 1.00 76.12 58 A 1 ATOM 489 C C . THR A 1 58 ? 0.435 -1.870 -14.396 1.00 76.02 58 A 1 ATOM 490 O O . THR A 1 58 ? -0.741 -2.244 -14.423 1.00 74.43 58 A 1 ATOM 491 C CB . THR A 1 58 ? 2.327 -2.824 -13.011 1.00 73.62 58 A 1 ATOM 492 O OG1 . THR A 1 58 ? 1.891 -4.101 -13.399 1.00 68.40 58 A 1 ATOM 493 C CG2 . THR A 1 58 ? 2.939 -2.958 -11.615 1.00 67.74 58 A 1 ATOM 494 N N . GLU A 1 59 ? 1.084 -1.598 -15.511 1.00 74.56 59 A 1 ATOM 495 C CA . GLU A 1 59 ? 0.487 -1.774 -16.838 1.00 73.70 59 A 1 ATOM 496 C C . GLU A 1 59 ? 0.063 -3.229 -17.111 1.00 73.83 59 A 1 ATOM 497 O O . GLU A 1 59 ? -0.775 -3.490 -17.968 1.00 71.52 59 A 1 ATOM 498 C CB . GLU A 1 59 ? 1.472 -1.315 -17.922 1.00 71.67 59 A 1 ATOM 499 C CG . GLU A 1 59 ? 1.775 0.189 -17.876 1.00 64.56 59 A 1 ATOM 500 C CD . GLU A 1 59 ? 2.711 0.661 -19.013 1.00 59.04 59 A 1 ATOM 501 O OE1 . GLU A 1 59 ? 2.773 1.889 -19.242 1.00 55.05 59 A 1 ATOM 502 O OE2 . GLU A 1 59 ? 3.369 -0.187 -19.656 1.00 56.38 59 A 1 ATOM 503 N N . LYS A 1 60 ? 0.643 -4.187 -16.393 1.00 73.86 60 A 1 ATOM 504 C CA . LYS A 1 60 ? 0.437 -5.624 -16.610 1.00 72.90 60 A 1 ATOM 505 C C . LYS A 1 60 ? -0.546 -6.265 -15.635 1.00 74.08 60 A 1 ATOM 506 O O . LYS A 1 60 ? -1.177 -7.263 -15.983 1.00 71.59 60 A 1 ATOM 507 C CB . LYS A 1 60 ? 1.782 -6.354 -16.514 1.00 70.18 60 A 1 ATOM 508 C CG . LYS A 1 60 ? 2.806 -5.890 -17.562 1.00 64.41 60 A 1 ATOM 509 C CD . LYS A 1 60 ? 4.129 -6.615 -17.317 1.00 59.74 60 A 1 ATOM 510 C CE . LYS A 1 60 ? 5.266 -5.960 -18.100 1.00 54.90 60 A 1 ATOM 511 N NZ . LYS A 1 60 ? 6.506 -5.945 -17.287 1.00 49.16 60 A 1 ATOM 512 N N . LYS A 1 61 ? -0.620 -5.766 -14.401 1.00 75.60 61 A 1 ATOM 513 C CA . LYS A 1 61 ? -1.399 -6.399 -13.327 1.00 76.51 61 A 1 ATOM 514 C C . LYS A 1 61 ? -1.810 -5.413 -12.242 1.00 78.08 61 A 1 ATOM 515 O O . LYS A 1 61 ? -1.162 -4.406 -12.005 1.00 76.97 61 A 1 ATOM 516 C CB . LYS A 1 61 ? -0.614 -7.592 -12.735 1.00 73.17 61 A 1 ATOM 517 C CG . LYS A 1 61 ? 0.691 -7.194 -12.025 1.00 65.77 61 A 1 ATOM 518 C CD . LYS A 1 61 ? 1.507 -8.400 -11.528 1.00 63.87 61 A 1 ATOM 519 C CE . LYS A 1 61 ? 2.768 -7.862 -10.853 1.00 56.95 61 A 1 ATOM 520 N NZ . LYS A 1 61 ? 3.776 -8.906 -10.516 1.00 52.39 61 A 1 ATOM 521 N N . VAL A 1 62 ? -2.872 -5.783 -11.532 1.00 79.92 62 A 1 ATOM 522 C CA . VAL A 1 62 ? -3.248 -5.187 -10.256 1.00 80.29 62 A 1 ATOM 523 C C . VAL A 1 62 ? -3.159 -6.271 -9.199 1.00 80.22 62 A 1 ATOM 524 O O . VAL A 1 62 ? -3.761 -7.331 -9.349 1.00 78.70 62 A 1 ATOM 525 C CB . VAL A 1 62 ? -4.657 -4.568 -10.304 1.00 78.81 62 A 1 ATOM 526 C CG1 . VAL A 1 62 ? -5.033 -3.941 -8.956 1.00 73.49 62 A 1 ATOM 527 C CG2 . VAL A 1 62 ? -4.741 -3.483 -11.381 1.00 74.84 62 A 1 ATOM 528 N N . THR A 1 63 ? -2.404 -6.021 -8.131 1.00 79.91 63 A 1 ATOM 529 C CA . THR A 1 63 ? -2.266 -6.945 -6.999 1.00 78.97 63 A 1 ATOM 530 C C . THR A 1 63 ? -2.688 -6.240 -5.725 1.00 79.96 63 A 1 ATOM 531 O O . THR A 1 63 ? -2.260 -5.125 -5.480 1.00 78.91 63 A 1 ATOM 532 C CB . THR A 1 63 ? -0.839 -7.486 -6.878 1.00 76.41 63 A 1 ATOM 533 O OG1 . THR A 1 63 ? -0.344 -7.913 -8.120 1.00 69.67 63 A 1 ATOM 534 C CG2 . THR A 1 63 ? -0.795 -8.708 -5.963 1.00 67.10 63 A 1 ATOM 535 N N . ALA A 1 64 ? -3.542 -6.879 -4.919 1.00 80.63 64 A 1 ATOM 536 C CA . ALA A 1 64 ? -4.034 -6.322 -3.675 1.00 80.50 64 A 1 ATOM 537 C C . ALA A 1 64 ? -3.571 -7.168 -2.478 1.00 80.52 64 A 1 ATOM 538 O O . ALA A 1 64 ? -3.611 -8.396 -2.522 1.00 79.17 64 A 1 ATOM 539 C CB . ALA A 1 64 ? -5.558 -6.196 -3.741 1.00 78.68 64 A 1 ATOM 540 N N . TYR A 1 65 ? -3.162 -6.494 -1.404 1.00 78.75 65 A 1 ATOM 541 C CA . TYR A 1 65 ? -2.776 -7.109 -0.140 1.00 78.25 65 A 1 ATOM 542 C C . TYR A 1 65 ? -3.436 -6.369 1.006 1.00 79.64 65 A 1 ATOM 543 O O . TYR A 1 65 ? -3.420 -5.146 1.049 1.00 78.59 65 A 1 ATOM 544 C CB . TYR A 1 65 ? -1.258 -7.065 0.052 1.00 75.84 65 A 1 ATOM 545 C CG . TYR A 1 65 ? -0.493 -7.855 -0.983 1.00 72.16 65 A 1 ATOM 546 C CD1 . TYR A 1 65 ? -0.222 -9.220 -0.765 1.00 68.03 65 A 1 ATOM 547 C CD2 . TYR A 1 65 ? -0.079 -7.235 -2.171 1.00 67.22 65 A 1 ATOM 548 C CE1 . TYR A 1 65 ? 0.470 -9.965 -1.734 1.00 63.68 65 A 1 ATOM 549 C CE2 . TYR A 1 65 ? 0.610 -7.979 -3.144 1.00 63.30 65 A 1 ATOM 550 C CZ . TYR A 1 65 ? 0.876 -9.339 -2.919 1.00 63.07 65 A 1 ATOM 551 O OH . TYR A 1 65 ? 1.546 -10.058 -3.871 1.00 60.63 65 A 1 ATOM 552 N N . THR A 1 66 ? -3.946 -7.115 1.977 1.00 80.27 66 A 1 ATOM 553 C CA . THR A 1 66 ? -4.441 -6.562 3.230 1.00 80.38 66 A 1 ATOM 554 C C . THR A 1 66 ? -3.421 -6.815 4.335 1.00 80.18 66 A 1 ATOM 555 O O . THR A 1 66 ? -3.016 -7.956 4.564 1.00 79.23 66 A 1 ATOM 556 C CB . THR A 1 66 ? -5.809 -7.141 3.599 1.00 79.08 66 A 1 ATOM 557 O OG1 . THR A 1 66 ? -6.727 -6.935 2.548 1.00 75.43 66 A 1 ATOM 558 C CG2 . THR A 1 66 ? -6.391 -6.495 4.848 1.00 74.91 66 A 1 ATOM 559 N N . LEU A 1 67 ? -3.018 -5.755 5.029 1.00 78.82 67 A 1 ATOM 560 C CA . LEU A 1 67 ? -2.154 -5.819 6.200 1.00 78.08 67 A 1 ATOM 561 C C . LEU A 1 67 ? -2.997 -5.604 7.450 1.00 77.75 67 A 1 ATOM 562 O O . LEU A 1 67 ? -3.735 -4.627 7.535 1.00 76.89 67 A 1 ATOM 563 C CB . LEU A 1 67 ? -1.036 -4.787 6.084 1.00 76.76 67 A 1 ATOM 564 C CG . LEU A 1 67 ? 0.014 -5.178 5.041 1.00 71.66 67 A 1 ATOM 565 C CD1 . LEU A 1 67 ? 0.890 -3.981 4.718 1.00 68.98 67 A 1 ATOM 566 C CD2 . LEU A 1 67 ? 0.939 -6.279 5.565 1.00 68.52 67 A 1 ATOM 567 N N . HIS A 1 68 ? -2.857 -6.498 8.406 1.00 78.06 68 A 1 ATOM 568 C CA . HIS A 1 68 ? -3.557 -6.450 9.678 1.00 76.57 68 A 1 ATOM 569 C C . HIS A 1 68 ? -2.579 -6.198 10.829 1.00 75.45 68 A 1 ATOM 570 O O . HIS A 1 68 ? -1.483 -6.761 10.862 1.00 73.15 68 A 1 ATOM 571 C CB . HIS A 1 68 ? -4.343 -7.747 9.894 1.00 75.40 68 A 1 ATOM 572 C CG . HIS A 1 68 ? -5.464 -7.941 8.901 1.00 73.00 68 A 1 ATOM 573 N ND1 . HIS A 1 68 ? -6.751 -7.469 9.040 1.00 65.29 68 A 1 ATOM 574 C CD2 . HIS A 1 68 ? -5.403 -8.613 7.709 1.00 65.21 68 A 1 ATOM 575 C CE1 . HIS A 1 68 ? -7.450 -7.857 7.959 1.00 65.17 68 A 1 ATOM 576 N NE2 . HIS A 1 68 ? -6.662 -8.550 7.120 1.00 65.16 68 A 1 ATOM 577 N N . GLU A 1 69 ? -3.016 -5.407 11.802 1.00 74.62 69 A 1 ATOM 578 C CA . GLU A 1 69 ? -2.410 -5.391 13.136 1.00 72.94 69 A 1 ATOM 579 C C . GLU A 1 69 ? -2.738 -6.710 13.836 1.00 69.72 69 A 1 ATOM 580 O O . GLU A 1 69 ? -3.903 -7.101 13.924 1.00 65.37 69 A 1 ATOM 581 C CB . GLU A 1 69 ? -2.939 -4.167 13.915 1.00 71.64 69 A 1 ATOM 582 C CG . GLU A 1 69 ? -2.303 -3.960 15.297 1.00 66.84 69 A 1 ATOM 583 C CD . GLU A 1 69 ? -2.952 -2.808 16.109 1.00 66.82 69 A 1 ATOM 584 O OE1 . GLU A 1 69 ? -2.346 -2.277 17.064 1.00 62.65 69 A 1 ATOM 585 O OE2 . GLU A 1 69 ? -4.125 -2.453 15.868 1.00 64.44 69 A 1 ATOM 586 N N . CYS A 1 70 ? -1.728 -7.399 14.353 1.00 63.49 70 A 1 ATOM 587 C CA . CYS A 1 70 ? -1.939 -8.616 15.131 1.00 60.47 70 A 1 ATOM 588 C C . CYS A 1 70 ? -2.133 -8.287 16.609 1.00 59.69 70 A 1 ATOM 589 O O . CYS A 1 70 ? -1.317 -7.595 17.206 1.00 54.17 70 A 1 ATOM 590 C CB . CYS A 1 70 ? -0.770 -9.576 14.918 1.00 56.55 70 A 1 ATOM 591 S SG . CYS A 1 70 ? -0.893 -10.148 13.217 1.00 49.94 70 A 1 ATOM 592 N N . ASP A 1 71 ? -3.174 -8.849 17.211 1.00 48.83 71 A 1 ATOM 593 C CA . ASP A 1 71 ? -3.484 -8.683 18.638 1.00 47.82 71 A 1 ATOM 594 C C . ASP A 1 71 ? -2.585 -9.525 19.576 1.00 47.37 71 A 1 ATOM 595 O O . ASP A 1 71 ? -2.927 -9.773 20.725 1.00 43.61 71 A 1 ATOM 596 C CB . ASP A 1 71 ? -4.989 -8.954 18.879 1.00 43.97 71 A 1 ATOM 597 C CG . ASP A 1 71 ? -5.904 -7.772 18.557 1.00 41.05 71 A 1 ATOM 598 O OD1 . ASP A 1 71 ? -5.456 -6.606 18.679 1.00 38.13 71 A 1 ATOM 599 O OD2 . ASP A 1 71 ? -7.102 -8.009 18.285 1.00 37.26 71 A 1 ATOM 600 N N . THR A 1 72 ? -1.430 -9.982 19.116 1.00 41.36 72 A 1 ATOM 601 C CA . THR A 1 72 ? -0.529 -10.821 19.914 1.00 40.91 72 A 1 ATOM 602 C C . THR A 1 72 ? 0.613 -10.017 20.523 1.00 40.78 72 A 1 ATOM 603 O O . THR A 1 72 ? 1.741 -10.049 20.037 1.00 37.63 72 A 1 ATOM 604 C CB . THR A 1 72 ? -0.030 -12.051 19.131 1.00 37.71 72 A 1 ATOM 605 O OG1 . THR A 1 72 ? 0.535 -11.668 17.905 1.00 34.76 72 A 1 ATOM 606 C CG2 . THR A 1 72 ? -1.176 -13.028 18.834 1.00 34.62 72 A 1 ATOM 607 N N . GLY A 1 73 ? 0.341 -9.356 21.642 1.00 38.48 73 A 1 ATOM 608 C CA . GLY A 1 73 ? 1.370 -8.834 22.550 1.00 38.43 73 A 1 ATOM 609 C C . GLY A 1 73 ? 1.689 -7.337 22.402 1.00 38.60 73 A 1 ATOM 610 O O . GLY A 1 73 ? 1.135 -6.663 21.545 1.00 35.93 73 A 1 ATOM 611 N N . PRO A 1 74 ? 2.565 -6.785 23.276 1.00 38.67 74 A 1 ATOM 612 C CA . PRO A 1 74 ? 2.829 -5.343 23.364 1.00 38.20 74 A 1 ATOM 613 C C . PRO A 1 74 ? 3.665 -4.772 22.212 1.00 40.02 74 A 1 ATOM 614 O O . PRO A 1 74 ? 3.889 -3.565 22.159 1.00 37.62 74 A 1 ATOM 615 C CB . PRO A 1 74 ? 3.537 -5.157 24.717 1.00 34.30 74 A 1 ATOM 616 C CG . PRO A 1 74 ? 4.266 -6.477 24.914 1.00 32.83 74 A 1 ATOM 617 C CD . PRO A 1 74 ? 3.313 -7.499 24.295 1.00 37.12 74 A 1 ATOM 618 N N . THR A 1 75 ? 4.127 -5.619 21.307 1.00 36.29 75 A 1 ATOM 619 C CA . THR A 1 75 ? 4.751 -5.230 20.053 1.00 36.78 75 A 1 ATOM 620 C C . THR A 1 75 ? 3.726 -5.406 18.948 1.00 37.97 75 A 1 ATOM 621 O O . THR A 1 75 ? 3.248 -6.512 18.707 1.00 36.31 75 A 1 ATOM 622 C CB . THR A 1 75 ? 6.022 -6.041 19.771 1.00 34.03 75 A 1 ATOM 623 O OG1 . THR A 1 75 ? 5.859 -7.392 20.149 1.00 30.99 75 A 1 ATOM 624 C CG2 . THR A 1 75 ? 7.190 -5.501 20.592 1.00 31.04 75 A 1 ATOM 625 N N . THR A 1 76 ? 3.401 -4.306 18.257 1.00 40.61 76 A 1 ATOM 626 C CA . THR A 1 76 ? 2.625 -4.311 17.013 1.00 41.77 76 A 1 ATOM 627 C C . THR A 1 76 ? 3.443 -5.040 15.942 1.00 42.96 76 A 1 ATOM 628 O O . THR A 1 76 ? 4.092 -4.430 15.101 1.00 40.72 76 A 1 ATOM 629 C CB . THR A 1 76 ? 2.314 -2.867 16.562 1.00 38.78 76 A 1 ATOM 630 O OG1 . THR A 1 76 ? 1.987 -2.050 17.669 1.00 35.31 76 A 1 ATOM 631 C CG2 . THR A 1 76 ? 1.130 -2.803 15.596 1.00 34.19 76 A 1 ATOM 632 N N . GLU A 1 77 ? 3.466 -6.362 16.007 1.00 42.73 77 A 1 ATOM 633 C CA . GLU A 1 77 ? 3.993 -7.174 14.919 1.00 44.06 77 A 1 ATOM 634 C C . GLU A 1 77 ? 2.909 -7.200 13.843 1.00 45.19 77 A 1 ATOM 635 O O . GLU A 1 77 ? 1.854 -7.806 13.994 1.00 43.49 77 A 1 ATOM 636 C CB . GLU A 1 77 ? 4.429 -8.565 15.394 1.00 41.95 77 A 1 ATOM 637 C CG . GLU A 1 77 ? 5.756 -8.470 16.175 1.00 37.74 77 A 1 ATOM 638 C CD . GLU A 1 77 ? 6.356 -9.830 16.576 1.00 35.10 77 A 1 ATOM 639 O OE1 . GLU A 1 77 ? 7.474 -9.812 17.131 1.00 33.08 77 A 1 ATOM 640 O OE2 . GLU A 1 77 ? 5.707 -10.880 16.334 1.00 33.54 77 A 1 ATOM 641 N N . LEU A 1 78 ? 3.185 -6.505 12.748 1.00 50.85 78 A 1 ATOM 642 C CA . LEU A 1 78 ? 2.512 -6.785 11.491 1.00 50.91 78 A 1 ATOM 643 C C . LEU A 1 78 ? 2.619 -8.294 11.254 1.00 51.42 78 A 1 ATOM 644 O O . LEU A 1 78 ? 3.707 -8.851 11.395 1.00 48.00 78 A 1 ATOM 645 C CB . LEU A 1 78 ? 3.216 -5.999 10.364 1.00 48.42 78 A 1 ATOM 646 C CG . LEU A 1 78 ? 2.960 -4.483 10.398 1.00 45.05 78 A 1 ATOM 647 C CD1 . LEU A 1 78 ? 3.986 -3.735 9.546 1.00 42.08 78 A 1 ATOM 648 C CD2 . LEU A 1 78 ? 1.571 -4.160 9.870 1.00 42.66 78 A 1 ATOM 649 N N . ASN A 1 79 ? 1.525 -8.953 10.888 1.00 51.86 79 A 1 ATOM 650 C CA . ASN A 1 79 ? 1.534 -10.372 10.492 1.00 52.25 79 A 1 ATOM 651 C C . ASN A 1 79 ? 2.254 -10.491 9.140 1.00 53.33 79 A 1 ATOM 652 O O . ASN A 1 79 ? 1.647 -10.433 8.079 1.00 50.35 79 A 1 ATOM 653 C CB . ASN A 1 79 ? 0.092 -10.913 10.472 1.00 49.79 79 A 1 ATOM 654 C CG . ASN A 1 79 ? -0.083 -12.237 11.192 1.00 45.53 79 A 1 ATOM 655 O OD1 . ASN A 1 79 ? 0.848 -12.911 11.581 1.00 42.04 79 A 1 ATOM 656 N ND2 . ASN A 1 79 ? -1.314 -12.640 11.418 1.00 41.24 79 A 1 ATOM 657 N N . GLY A 1 80 ? 3.562 -10.481 9.200 1.00 56.10 80 A 1 ATOM 658 C CA . GLY A 1 80 ? 4.423 -9.641 8.408 1.00 57.43 80 A 1 ATOM 659 C C . GLY A 1 80 ? 5.485 -10.384 7.648 1.00 59.33 80 A 1 ATOM 660 O O . GLY A 1 80 ? 6.018 -9.832 6.690 1.00 56.85 80 A 1 ATOM 661 N N . THR A 1 81 ? 5.827 -11.609 7.968 1.00 54.62 81 A 1 ATOM 662 C CA . THR A 1 81 ? 6.970 -12.242 7.294 1.00 56.36 81 A 1 ATOM 663 C C . THR A 1 81 ? 6.687 -12.501 5.815 1.00 58.10 81 A 1 ATOM 664 O O . THR A 1 81 ? 7.512 -12.173 4.972 1.00 55.56 81 A 1 ATOM 665 C CB . THR A 1 81 ? 7.393 -13.532 7.999 1.00 53.50 81 A 1 ATOM 666 O OG1 . THR A 1 81 ? 7.276 -13.409 9.395 1.00 48.86 81 A 1 ATOM 667 C CG2 . THR A 1 81 ? 8.862 -13.852 7.709 1.00 48.48 81 A 1 ATOM 668 N N . TYR A 1 82 ? 5.504 -13.019 5.476 1.00 52.80 82 A 1 ATOM 669 C CA . TYR A 1 82 ? 5.136 -13.290 4.080 1.00 54.32 82 A 1 ATOM 670 C C . TYR A 1 82 ? 4.689 -12.039 3.319 1.00 56.40 82 A 1 ATOM 671 O O . TYR A 1 82 ? 5.103 -11.836 2.184 1.00 53.70 82 A 1 ATOM 672 C CB . TYR A 1 82 ? 4.041 -14.361 4.041 1.00 50.41 82 A 1 ATOM 673 C CG . TYR A 1 82 ? 4.547 -15.732 4.422 1.00 47.60 82 A 1 ATOM 674 C CD1 . TYR A 1 82 ? 5.241 -16.504 3.471 1.00 44.24 82 A 1 ATOM 675 C CD2 . TYR A 1 82 ? 4.339 -16.238 5.716 1.00 44.71 82 A 1 ATOM 676 C CE1 . TYR A 1 82 ? 5.736 -17.770 3.810 1.00 39.89 82 A 1 ATOM 677 C CE2 . TYR A 1 82 ? 4.831 -17.504 6.062 1.00 41.19 82 A 1 ATOM 678 C CZ . TYR A 1 82 ? 5.527 -18.276 5.109 1.00 40.37 82 A 1 ATOM 679 O OH . TYR A 1 82 ? 6.005 -19.505 5.438 1.00 39.41 82 A 1 ATOM 680 N N . THR A 1 83 ? 3.890 -11.178 3.943 1.00 60.26 83 A 1 ATOM 681 C CA . THR A 1 83 ? 3.417 -9.926 3.331 1.00 61.46 83 A 1 ATOM 682 C C . THR A 1 83 ? 4.544 -8.926 3.138 1.00 64.66 83 A 1 ATOM 683 O O . THR A 1 83 ? 4.599 -8.258 2.105 1.00 63.02 83 A 1 ATOM 684 C CB . THR A 1 83 ? 2.313 -9.292 4.185 1.00 57.68 83 A 1 ATOM 685 O OG1 . THR A 1 83 ? 2.637 -9.393 5.551 1.00 52.85 83 A 1 ATOM 686 C CG2 . THR A 1 83 ? 0.987 -10.031 4.010 1.00 51.74 83 A 1 ATOM 687 N N . LEU A 1 84 ? 5.490 -8.854 4.060 1.00 64.51 84 A 1 ATOM 688 C CA . LEU A 1 84 ? 6.667 -7.993 3.959 1.00 65.68 84 A 1 ATOM 689 C C . LEU A 1 84 ? 7.624 -8.473 2.864 1.00 67.82 84 A 1 ATOM 690 O O . LEU A 1 84 ? 8.189 -7.663 2.142 1.00 67.03 84 A 1 ATOM 691 C CB . LEU A 1 84 ? 7.365 -7.986 5.327 1.00 63.26 84 A 1 ATOM 692 C CG . LEU A 1 84 ? 8.140 -6.709 5.635 1.00 58.46 84 A 1 ATOM 693 C CD1 . LEU A 1 84 ? 7.175 -5.607 6.073 1.00 54.67 84 A 1 ATOM 694 C CD2 . LEU A 1 84 ? 9.147 -6.966 6.773 1.00 53.99 84 A 1 ATOM 695 N N . GLN A 1 85 ? 7.785 -9.785 2.727 1.00 67.11 85 A 1 ATOM 696 C CA . GLN A 1 85 ? 8.593 -10.355 1.653 1.00 68.71 85 A 1 ATOM 697 C C . GLN A 1 85 ? 7.941 -10.131 0.285 1.00 70.05 85 A 1 ATOM 698 O O . GLN A 1 85 ? 8.604 -9.657 -0.630 1.00 69.32 85 A 1 ATOM 699 C CB . GLN A 1 85 ? 8.858 -11.842 1.942 1.00 68.13 85 A 1 ATOM 700 C CG . GLN A 1 85 ? 9.739 -12.504 0.878 1.00 63.38 85 A 1 ATOM 701 C CD . GLN A 1 85 ? 11.121 -11.868 0.721 1.00 56.95 85 A 1 ATOM 702 O OE1 . GLN A 1 85 ? 11.710 -11.307 1.638 1.00 54.45 85 A 1 ATOM 703 N NE2 . GLN A 1 85 ? 11.680 -11.933 -0.465 1.00 50.85 85 A 1 ATOM 704 N N . ALA A 1 86 ? 6.631 -10.357 0.169 1.00 69.76 86 A 1 ATOM 705 C CA . ALA A 1 86 ? 5.885 -10.064 -1.048 1.00 69.61 86 A 1 ATOM 706 C C . ALA A 1 86 ? 5.942 -8.571 -1.407 1.00 71.01 86 A 1 ATOM 707 O O . ALA A 1 86 ? 6.149 -8.216 -2.563 1.00 70.15 86 A 1 ATOM 708 C CB . ALA A 1 86 ? 4.435 -10.538 -0.852 1.00 67.53 86 A 1 ATOM 709 N N . LEU A 1 87 ? 5.857 -7.685 -0.410 1.00 69.41 87 A 1 ATOM 710 C CA . LEU A 1 87 ? 6.003 -6.245 -0.603 1.00 69.67 87 A 1 ATOM 711 C C . LEU A 1 87 ? 7.388 -5.883 -1.140 1.00 70.55 87 A 1 ATOM 712 O O . LEU A 1 87 ? 7.477 -5.089 -2.073 1.00 70.41 87 A 1 ATOM 713 C CB . LEU A 1 87 ? 5.699 -5.541 0.731 1.00 68.37 87 A 1 ATOM 714 C CG . LEU A 1 87 ? 5.733 -4.005 0.662 1.00 63.46 87 A 1 ATOM 715 C CD1 . LEU A 1 87 ? 4.646 -3.461 -0.256 1.00 60.58 87 A 1 ATOM 716 C CD2 . LEU A 1 87 ? 5.510 -3.415 2.049 1.00 59.93 87 A 1 ATOM 717 N N . LYS A 1 88 ? 8.462 -6.472 -0.613 1.00 70.53 88 A 1 ATOM 718 C CA . LYS A 1 88 ? 9.826 -6.257 -1.125 1.00 70.98 88 A 1 ATOM 719 C C . LYS A 1 88 ? 9.961 -6.648 -2.586 1.00 71.86 88 A 1 ATOM 720 O O . LYS A 1 88 ? 10.542 -5.897 -3.363 1.00 71.99 88 A 1 ATOM 721 C CB . LYS A 1 88 ? 10.854 -7.084 -0.330 1.00 70.31 88 A 1 ATOM 722 C CG . LYS A 1 88 ? 11.159 -6.479 1.033 1.00 65.20 88 A 1 ATOM 723 C CD . LYS A 1 88 ? 12.060 -7.418 1.836 1.00 62.23 88 A 1 ATOM 724 C CE . LYS A 1 88 ? 12.283 -6.815 3.220 1.00 57.54 88 A 1 ATOM 725 N NZ . LYS A 1 88 ? 13.106 -7.679 4.090 1.00 51.98 88 A 1 ATOM 726 N N . GLU A 1 89 ? 9.428 -7.804 -2.953 1.00 74.84 89 A 1 ATOM 727 C CA . GLU A 1 89 ? 9.492 -8.313 -4.321 1.00 74.79 89 A 1 ATOM 728 C C . GLU A 1 89 ? 8.732 -7.405 -5.289 1.00 74.80 89 A 1 ATOM 729 O O . GLU A 1 89 ? 9.227 -7.102 -6.363 1.00 74.37 89 A 1 ATOM 730 C CB . GLU A 1 89 ? 8.943 -9.741 -4.355 1.00 74.54 89 A 1 ATOM 731 C CG . GLU A 1 89 ? 9.911 -10.721 -3.681 1.00 71.55 89 A 1 ATOM 732 C CD . GLU A 1 89 ? 9.350 -12.132 -3.467 1.00 66.07 89 A 1 ATOM 733 O OE1 . GLU A 1 89 ? 10.025 -12.883 -2.717 1.00 62.37 89 A 1 ATOM 734 O OE2 . GLU A 1 89 ? 8.264 -12.454 -3.996 1.00 61.79 89 A 1 ATOM 735 N N . ILE A 1 90 ? 7.572 -6.894 -4.874 1.00 72.41 90 A 1 ATOM 736 C CA . ILE A 1 90 ? 6.772 -5.990 -5.692 1.00 71.40 90 A 1 ATOM 737 C C . ILE A 1 90 ? 7.430 -4.620 -5.828 1.00 71.57 90 A 1 ATOM 738 O O . ILE A 1 90 ? 7.434 -4.071 -6.918 1.00 71.25 90 A 1 ATOM 739 C CB . ILE A 1 90 ? 5.352 -5.886 -5.125 1.00 70.66 90 A 1 ATOM 740 C CG1 . ILE A 1 90 ? 4.657 -7.239 -5.358 1.00 67.89 90 A 1 ATOM 741 C CG2 . ILE A 1 90 ? 4.554 -4.757 -5.797 1.00 65.60 90 A 1 ATOM 742 C CD1 . ILE A 1 90 ? 3.382 -7.376 -4.552 1.00 63.62 90 A 1 ATOM 743 N N . ILE A 1 91 ? 8.007 -4.070 -4.758 1.00 72.36 91 A 1 ATOM 744 C CA . ILE A 1 91 ? 8.745 -2.811 -4.830 1.00 71.66 91 A 1 ATOM 745 C C . ILE A 1 91 ? 9.911 -2.949 -5.816 1.00 71.66 91 A 1 ATOM 746 O O . ILE A 1 91 ? 10.056 -2.096 -6.680 1.00 71.10 91 A 1 ATOM 747 C CB . ILE A 1 91 ? 9.206 -2.341 -3.434 1.00 70.88 91 A 1 ATOM 748 C CG1 . ILE A 1 91 ? 7.979 -1.876 -2.620 1.00 68.36 91 A 1 ATOM 749 C CG2 . ILE A 1 91 ? 10.233 -1.196 -3.531 1.00 66.34 91 A 1 ATOM 750 C CD1 . ILE A 1 91 ? 8.272 -1.690 -1.126 1.00 63.65 91 A 1 ATOM 751 N N . ALA A 1 92 ? 10.663 -4.038 -5.747 1.00 74.44 92 A 1 ATOM 752 C CA . ALA A 1 92 ? 11.754 -4.285 -6.683 1.00 74.66 92 A 1 ATOM 753 C C . ALA A 1 92 ? 11.263 -4.404 -8.140 1.00 75.09 92 A 1 ATOM 754 O O . ALA A 1 92 ? 11.855 -3.833 -9.040 1.00 74.48 92 A 1 ATOM 755 C CB . ALA A 1 92 ? 12.498 -5.549 -6.234 1.00 73.70 92 A 1 ATOM 756 N N . GLU A 1 93 ? 10.134 -5.080 -8.368 1.00 74.30 93 A 1 ATOM 757 C CA . GLU A 1 93 ? 9.517 -5.182 -9.699 1.00 73.81 93 A 1 ATOM 758 C C . GLU A 1 93 ? 9.053 -3.810 -10.220 1.00 74.48 93 A 1 ATOM 759 O O . GLU A 1 93 ? 9.260 -3.487 -11.392 1.00 74.09 93 A 1 ATOM 760 C CB . GLU A 1 93 ? 8.353 -6.187 -9.638 1.00 72.18 93 A 1 ATOM 761 C CG . GLU A 1 93 ? 7.745 -6.514 -11.017 1.00 66.90 93 A 1 ATOM 762 C CD . GLU A 1 93 ? 6.561 -7.512 -10.957 1.00 62.93 93 A 1 ATOM 763 O OE1 . GLU A 1 93 ? 5.949 -7.832 -11.989 1.00 59.08 93 A 1 ATOM 764 O OE2 . GLU A 1 93 ? 6.153 -7.972 -9.863 1.00 58.18 93 A 1 ATOM 765 N N . MET A 1 94 ? 8.480 -2.967 -9.364 1.00 71.47 94 A 1 ATOM 766 C CA . MET A 1 94 ? 8.064 -1.624 -9.750 1.00 70.69 94 A 1 ATOM 767 C C . MET A 1 94 ? 9.246 -0.708 -10.066 1.00 70.83 94 A 1 ATOM 768 O O . MET A 1 94 ? 9.164 0.083 -10.998 1.00 70.14 94 A 1 ATOM 769 C CB . MET A 1 94 ? 7.282 -0.953 -8.630 1.00 69.43 94 A 1 ATOM 770 C CG . MET A 1 94 ? 5.912 -1.559 -8.378 1.00 65.58 94 A 1 ATOM 771 S SD . MET A 1 94 ? 4.954 -0.624 -7.169 1.00 62.05 94 A 1 ATOM 772 C CE . MET A 1 94 ? 6.180 -0.363 -5.867 1.00 56.77 94 A 1 ATOM 773 N N . GLU A 1 95 ? 10.317 -0.783 -9.283 1.00 70.63 95 A 1 ATOM 774 C CA . GLU A 1 95 ? 11.544 -0.035 -9.549 1.00 70.04 95 A 1 ATOM 775 C C . GLU A 1 95 ? 12.084 -0.408 -10.930 1.00 70.69 95 A 1 ATOM 776 O O . GLU A 1 95 ? 12.312 0.478 -11.756 1.00 69.77 95 A 1 ATOM 777 C CB . GLU A 1 95 ? 12.581 -0.283 -8.440 1.00 67.92 95 A 1 ATOM 778 C CG . GLU A 1 95 ? 12.225 0.462 -7.138 1.00 62.89 95 A 1 ATOM 779 C CD . GLU A 1 95 ? 13.174 0.173 -5.957 1.00 59.22 95 A 1 ATOM 780 O OE1 . GLU A 1 95 ? 13.074 0.912 -4.948 1.00 56.40 95 A 1 ATOM 781 O OE2 . GLU A 1 95 ? 13.993 -0.769 -6.031 1.00 54.69 95 A 1 ATOM 782 N N . GLU A 1 96 ? 12.153 -1.693 -11.248 1.00 73.51 96 A 1 ATOM 783 C CA . GLU A 1 96 ? 12.578 -2.176 -12.563 1.00 74.55 96 A 1 ATOM 784 C C . GLU A 1 96 ? 11.638 -1.717 -13.690 1.00 74.61 96 A 1 ATOM 785 O O . GLU A 1 96 ? 12.094 -1.304 -14.756 1.00 73.51 96 A 1 ATOM 786 C CB . GLU A 1 96 ? 12.688 -3.717 -12.514 1.00 73.57 96 A 1 ATOM 787 C CG . GLU A 1 96 ? 13.310 -4.293 -13.788 1.00 66.82 96 A 1 ATOM 788 C CD . GLU A 1 96 ? 13.418 -5.825 -13.806 1.00 62.77 96 A 1 ATOM 789 O OE1 . GLU A 1 96 ? 13.989 -6.360 -14.798 1.00 57.22 96 A 1 ATOM 790 O OE2 . GLU A 1 96 ? 12.933 -6.496 -12.873 1.00 57.64 96 A 1 ATOM 791 N N . GLU A 1 97 ? 10.316 -1.742 -13.484 1.00 70.95 97 A 1 ATOM 792 C CA . GLU A 1 97 ? 9.349 -1.280 -14.487 1.00 70.51 97 A 1 ATOM 793 C C . GLU A 1 97 ? 9.411 0.232 -14.727 1.00 70.69 97 A 1 ATOM 794 O O . GLU A 1 97 ? 9.233 0.685 -15.865 1.00 68.14 97 A 1 ATOM 795 C CB . GLU A 1 97 ? 7.917 -1.691 -14.118 1.00 68.64 97 A 1 ATOM 796 C CG . GLU A 1 97 ? 7.656 -3.180 -14.384 1.00 63.49 97 A 1 ATOM 797 C CD . GLU A 1 97 ? 6.168 -3.580 -14.377 1.00 59.92 97 A 1 ATOM 798 O OE1 . GLU A 1 97 ? 5.887 -4.715 -14.852 1.00 56.85 97 A 1 ATOM 799 O OE2 . GLU A 1 97 ? 5.291 -2.778 -14.012 1.00 56.53 97 A 1 ATOM 800 N N . ASN A 1 98 ? 9.686 1.030 -13.692 1.00 69.23 98 A 1 ATOM 801 C CA . ASN A 1 98 ? 9.795 2.479 -13.795 1.00 68.10 98 A 1 ATOM 802 C C . ASN A 1 98 ? 11.126 2.951 -14.397 1.00 67.11 98 A 1 ATOM 803 O O . ASN A 1 98 ? 11.191 4.047 -14.949 1.00 65.13 98 A 1 ATOM 804 C CB . ASN A 1 98 ? 9.526 3.105 -12.421 1.00 66.31 98 A 1 ATOM 805 C CG . ASN A 1 98 ? 8.046 3.142 -12.067 1.00 63.19 98 A 1 ATOM 806 O OD1 . ASN A 1 98 ? 7.170 3.184 -12.913 1.00 58.85 98 A 1 ATOM 807 N ND2 . ASN A 1 98 ? 7.718 3.209 -10.796 1.00 58.67 98 A 1 ATOM 808 N N . GLU A 1 99 ? 12.175 2.142 -14.314 1.00 70.68 99 A 1 ATOM 809 C CA . GLU A 1 99 ? 13.468 2.422 -14.931 1.00 69.93 99 A 1 ATOM 810 C C . GLU A 1 99 ? 13.481 2.172 -16.446 1.00 68.75 99 A 1 ATOM 811 O O . GLU A 1 99 ? 14.242 2.824 -17.166 1.00 64.29 99 A 1 ATOM 812 C CB . GLU A 1 99 ? 14.563 1.591 -14.251 1.00 67.64 99 A 1 ATOM 813 C CG . GLU A 1 99 ? 14.947 2.159 -12.879 1.00 61.89 99 A 1 ATOM 814 C CD . GLU A 1 99 ? 16.104 1.406 -12.186 1.00 58.29 99 A 1 ATOM 815 O OE1 . GLU A 1 99 ? 16.524 1.894 -11.110 1.00 54.83 99 A 1 ATOM 816 O OE2 . GLU A 1 99 ? 16.614 0.429 -12.774 1.00 55.09 99 A 1 ATOM 817 N N . ASN A 1 100 ? 12.615 1.278 -16.947 1.00 66.50 100 A 1 ATOM 818 C CA . ASN A 1 100 ? 12.523 0.880 -18.354 1.00 64.92 100 A 1 ATOM 819 C C . ASN A 1 100 ? 11.470 1.672 -19.166 1.00 59.91 100 A 1 ATOM 820 O O . ASN A 1 100 ? 11.711 1.948 -20.357 1.00 55.15 100 A 1 ATOM 821 C CB . ASN A 1 100 ? 12.243 -0.628 -18.429 1.00 60.86 100 A 1 ATOM 822 C CG . ASN A 1 100 ? 13.430 -1.488 -18.034 1.00 55.81 100 A 1 ATOM 823 O OD1 . ASN A 1 100 ? 14.499 -1.412 -18.616 1.00 51.96 100 A 1 ATOM 824 N ND2 . ASN A 1 100 ? 13.260 -2.359 -17.071 1.00 52.07 100 A 1 ATOM 825 O OXT . ASN A 1 100 ? 10.382 1.974 -18.615 1.00 50.03 100 A 1 #