# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_214db79806561c5e # _entry.id 214db79806561c5e # 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" "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 THR 2 1 n SER 3 1 n SER 4 1 n LYS 5 1 n TRP 6 1 n THR 7 1 n ILE 8 1 n GLY 9 1 n ARG 10 1 n ASN 11 1 n ASP 12 1 n THR 13 1 n ILE 14 1 n GLU 15 1 n VAL 16 1 n GLU 17 1 n ALA 18 1 n VAL 19 1 n ASN 20 1 n SER 21 1 n ARG 22 1 n GLU 23 1 n ASP 24 1 n PHE 25 1 n ARG 26 1 n TRP 27 1 n ASN 28 1 n GLY 29 1 n LYS 30 1 n ILE 31 1 n ARG 32 1 n VAL 33 1 n ILE 34 1 n HIS 35 1 n TYR 36 1 n SER 37 1 n ALA 38 1 n GLY 39 1 n GLN 40 1 n ILE 41 1 n VAL 42 1 n ASN 43 1 n ILE 44 1 n ILE 45 1 n GLU 46 1 n PHE 47 1 n TYR 48 1 n HIS 49 1 n HIS 50 1 n ASP 51 1 n LEU 52 1 n ASP 53 1 n TRP 54 1 n ALA 55 1 n ILE 56 1 n LYS 57 1 n ASN 58 1 n PHE 59 1 n GLY 60 1 n ILE 61 1 n LYS 62 1 n LEU 63 1 n LYS 64 1 n ALA 65 1 n VAL 66 1 n SER 67 1 n LYS 68 1 n GLY 69 1 n LEU 70 1 n GLU 71 1 n ILE 72 1 n LEU 73 1 n HIS 74 1 n THR 75 1 n CYS 76 1 n TYR 77 1 n PHE 78 1 n GLY 79 1 n LYS 80 1 n TYR 81 1 n VAL 82 1 n LYS 83 # _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 00:24:48)" _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 83.35 _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 THR . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n ARG . 26 A 26 A 27 1 n TRP . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n GLY . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n ARG . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n HIS . 35 A 35 A 36 1 n TYR . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n GLN . 40 A 40 A 41 1 n ILE . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n ASN . 43 A 43 A 44 1 n ILE . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n GLU . 46 A 46 A 47 1 n PHE . 47 A 47 A 48 1 n TYR . 48 A 48 A 49 1 n HIS . 49 A 49 A 50 1 n HIS . 50 A 50 A 51 1 n ASP . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n TRP . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n ILE . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n PHE . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n LYS . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n ALA . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n LYS . 68 A 68 A 69 1 n GLY . 69 A 69 A 70 1 n LEU . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n HIS . 74 A 74 A 75 1 n THR . 75 A 75 A 76 1 n CYS . 76 A 76 A 77 1 n TYR . 77 A 77 A 78 1 n PHE . 78 A 78 A 79 1 n GLY . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n TYR . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n LYS . 83 A 83 # _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 00:24:48)" # _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 ? 17.600 -6.972 -4.388 1.00 43.69 1 A 1 ATOM 2 C CA . MET A 1 1 ? 16.795 -6.907 -5.625 1.00 48.65 1 A 1 ATOM 3 C C . MET A 1 1 ? 16.584 -5.438 -5.958 1.00 50.16 1 A 1 ATOM 4 O O . MET A 1 1 ? 16.057 -4.717 -5.125 1.00 46.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? 15.434 -7.604 -5.450 1.00 46.82 1 A 1 ATOM 6 C CG . MET A 1 1 ? 15.583 -9.129 -5.326 1.00 42.95 1 A 1 ATOM 7 S SD . MET A 1 1 ? 14.000 -9.959 -5.040 1.00 40.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? 14.543 -11.665 -4.842 1.00 35.16 1 A 1 ATOM 9 N N . THR A 1 2 ? 17.068 -4.972 -7.108 1.00 54.05 2 A 1 ATOM 10 C CA . THR A 1 2 ? 16.826 -3.605 -7.581 1.00 59.42 2 A 1 ATOM 11 C C . THR A 1 2 ? 15.393 -3.546 -8.116 1.00 60.11 2 A 1 ATOM 12 O O . THR A 1 2 ? 15.106 -4.120 -9.162 1.00 54.78 2 A 1 ATOM 13 C CB . THR A 1 2 ? 17.832 -3.225 -8.682 1.00 55.73 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 18.063 -4.324 -9.528 1.00 48.53 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 19.183 -2.831 -8.083 1.00 49.85 2 A 1 ATOM 16 N N . SER A 1 3 ? 14.490 -2.909 -7.382 1.00 65.05 3 A 1 ATOM 17 C CA . SER A 1 3 ? 13.132 -2.658 -7.858 1.00 68.46 3 A 1 ATOM 18 C C . SER A 1 3 ? 13.185 -1.622 -8.977 1.00 70.40 3 A 1 ATOM 19 O O . SER A 1 3 ? 13.569 -0.476 -8.752 1.00 65.78 3 A 1 ATOM 20 C CB . SER A 1 3 ? 12.222 -2.209 -6.706 1.00 62.02 3 A 1 ATOM 21 O OG . SER A 1 3 ? 12.756 -1.083 -6.051 1.00 55.43 3 A 1 ATOM 22 N N . SER A 1 4 ? 12.844 -2.022 -10.201 1.00 78.72 4 A 1 ATOM 23 C CA . SER A 1 4 ? 12.680 -1.077 -11.303 1.00 82.67 4 A 1 ATOM 24 C C . SER A 1 4 ? 11.418 -0.247 -11.083 1.00 86.36 4 A 1 ATOM 25 O O . SER A 1 4 ? 10.372 -0.786 -10.713 1.00 84.40 4 A 1 ATOM 26 C CB . SER A 1 4 ? 12.619 -1.815 -12.646 1.00 74.38 4 A 1 ATOM 27 O OG . SER A 1 4 ? 11.662 -2.842 -12.610 1.00 65.92 4 A 1 ATOM 28 N N . LYS A 1 5 ? 11.498 1.060 -11.316 1.00 90.55 5 A 1 ATOM 29 C CA . LYS A 1 5 ? 10.314 1.934 -11.288 1.00 92.46 5 A 1 ATOM 30 C C . LYS A 1 5 ? 9.279 1.448 -12.294 1.00 93.66 5 A 1 ATOM 31 O O . LYS A 1 5 ? 9.624 1.093 -13.419 1.00 91.97 5 A 1 ATOM 32 C CB . LYS A 1 5 ? 10.681 3.389 -11.572 1.00 90.05 5 A 1 ATOM 33 C CG . LYS A 1 5 ? 11.411 4.037 -10.393 1.00 85.62 5 A 1 ATOM 34 C CD . LYS A 1 5 ? 11.623 5.527 -10.643 1.00 82.37 5 A 1 ATOM 35 C CE . LYS A 1 5 ? 12.295 6.148 -9.416 1.00 77.44 5 A 1 ATOM 36 N NZ . LYS A 1 5 ? 12.503 7.609 -9.591 1.00 68.26 5 A 1 ATOM 37 N N . TRP A 1 6 ? 8.006 1.489 -11.892 1.00 94.28 6 A 1 ATOM 38 C CA . TRP A 1 6 ? 6.907 1.147 -12.774 1.00 94.75 6 A 1 ATOM 39 C C . TRP A 1 6 ? 6.671 2.257 -13.796 1.00 94.62 6 A 1 ATOM 40 O O . TRP A 1 6 ? 6.625 3.441 -13.468 1.00 93.38 6 A 1 ATOM 41 C CB . TRP A 1 6 ? 5.639 0.877 -11.957 1.00 94.54 6 A 1 ATOM 42 C CG . TRP A 1 6 ? 5.686 -0.288 -11.029 1.00 94.76 6 A 1 ATOM 43 C CD1 . TRP A 1 6 ? 6.685 -1.185 -10.861 1.00 93.29 6 A 1 ATOM 44 C CD2 . TRP A 1 6 ? 4.618 -0.730 -10.137 1.00 94.75 6 A 1 ATOM 45 N NE1 . TRP A 1 6 ? 6.323 -2.142 -9.956 1.00 92.60 6 A 1 ATOM 46 C CE2 . TRP A 1 6 ? 5.041 -1.924 -9.490 1.00 94.05 6 A 1 ATOM 47 C CE3 . TRP A 1 6 ? 3.324 -0.256 -9.839 1.00 93.10 6 A 1 ATOM 48 C CZ2 . TRP A 1 6 ? 4.211 -2.635 -8.616 1.00 92.86 6 A 1 ATOM 49 C CZ3 . TRP A 1 6 ? 2.490 -0.949 -8.958 1.00 93.14 6 A 1 ATOM 50 C CH2 . TRP A 1 6 ? 2.921 -2.140 -8.355 1.00 92.80 6 A 1 ATOM 51 N N . THR A 1 7 ? 6.486 1.852 -15.054 1.00 94.41 7 A 1 ATOM 52 C CA . THR A 1 7 ? 6.071 2.767 -16.116 1.00 94.14 7 A 1 ATOM 53 C C . THR A 1 7 ? 4.547 2.857 -16.086 1.00 94.62 7 A 1 ATOM 54 O O . THR A 1 7 ? 3.861 1.981 -16.597 1.00 93.93 7 A 1 ATOM 55 C CB . THR A 1 7 ? 6.585 2.303 -17.482 1.00 92.96 7 A 1 ATOM 56 O OG1 . THR A 1 7 ? 7.993 2.218 -17.429 1.00 86.61 7 A 1 ATOM 57 C CG2 . THR A 1 7 ? 6.254 3.305 -18.584 1.00 84.08 7 A 1 ATOM 58 N N . ILE A 1 8 ? 4.019 3.908 -15.455 1.00 94.15 8 A 1 ATOM 59 C CA . ILE A 1 8 ? 2.573 4.128 -15.313 1.00 94.07 8 A 1 ATOM 60 C C . ILE A 1 8 ? 2.128 5.132 -16.378 1.00 93.85 8 A 1 ATOM 61 O O . ILE A 1 8 ? 2.478 6.322 -16.320 1.00 92.74 8 A 1 ATOM 62 C CB . ILE A 1 8 ? 2.225 4.581 -13.873 1.00 93.78 8 A 1 ATOM 63 C CG1 . ILE A 1 8 ? 2.699 3.531 -12.843 1.00 92.68 8 A 1 ATOM 64 C CG2 . ILE A 1 8 ? 0.711 4.826 -13.734 1.00 92.33 8 A 1 ATOM 65 C CD1 . ILE A 1 8 ? 2.690 4.048 -11.397 1.00 89.13 8 A 1 ATOM 66 N N . GLY A 1 9 ? 1.367 4.647 -17.351 1.00 94.48 9 A 1 ATOM 67 C CA . GLY A 1 9 ? 0.783 5.412 -18.441 1.00 93.88 9 A 1 ATOM 68 C C . GLY A 1 9 ? -0.363 6.320 -17.989 1.00 94.38 9 A 1 ATOM 69 O O . GLY A 1 9 ? -0.773 6.332 -16.829 1.00 93.65 9 A 1 ATOM 70 N N . ARG A 1 10 ? -0.876 7.146 -18.905 1.00 93.36 10 A 1 ATOM 71 C CA . ARG A 1 10 ? -1.950 8.108 -18.607 1.00 92.94 10 A 1 ATOM 72 C C . ARG A 1 10 ? -3.282 7.423 -18.268 1.00 93.70 10 A 1 ATOM 73 O O . ARG A 1 10 ? -4.018 7.955 -17.454 1.00 92.63 10 A 1 ATOM 74 C CB . ARG A 1 10 ? -2.113 9.079 -19.793 1.00 91.19 10 A 1 ATOM 75 C CG . ARG A 1 10 ? -3.213 10.124 -19.546 1.00 80.18 10 A 1 ATOM 76 C CD . ARG A 1 10 ? -3.395 11.083 -20.722 1.00 76.80 10 A 1 ATOM 77 N NE . ARG A 1 10 ? -2.353 12.124 -20.762 1.00 68.45 10 A 1 ATOM 78 C CZ . ARG A 1 10 ? -2.259 13.087 -21.662 1.00 61.72 10 A 1 ATOM 79 N NH1 . ARG A 1 10 ? -3.078 13.170 -22.673 1.00 56.75 10 A 1 ATOM 80 N NH2 . ARG A 1 10 ? -1.335 14.006 -21.561 1.00 53.30 10 A 1 ATOM 81 N N . ASN A 1 11 ? -3.563 6.286 -18.906 1.00 93.83 11 A 1 ATOM 82 C CA . ASN A 1 11 ? -4.829 5.558 -18.765 1.00 94.37 11 A 1 ATOM 83 C C . ASN A 1 11 ? -4.708 4.333 -17.840 1.00 95.15 11 A 1 ATOM 84 O O . ASN A 1 11 ? -5.638 3.550 -17.734 1.00 93.99 11 A 1 ATOM 85 C CB . ASN A 1 11 ? -5.331 5.149 -20.157 1.00 93.61 11 A 1 ATOM 86 C CG . ASN A 1 11 ? -5.605 6.316 -21.087 1.00 90.87 11 A 1 ATOM 87 O OD1 . ASN A 1 11 ? -5.760 7.469 -20.710 1.00 83.29 11 A 1 ATOM 88 N ND2 . ASN A 1 11 ? -5.655 6.063 -22.372 1.00 82.15 11 A 1 ATOM 89 N N . ASP A 1 12 ? -3.539 4.155 -17.218 1.00 95.42 12 A 1 ATOM 90 C CA . ASP A 1 12 ? -3.311 3.059 -16.295 1.00 95.61 12 A 1 ATOM 91 C C . ASP A 1 12 ? -3.953 3.378 -14.947 1.00 95.87 12 A 1 ATOM 92 O O . ASP A 1 12 ? -4.036 4.532 -14.525 1.00 95.19 12 A 1 ATOM 93 C CB . ASP A 1 12 ? -1.807 2.804 -16.129 1.00 95.24 12 A 1 ATOM 94 C CG . ASP A 1 12 ? -1.095 2.298 -17.382 1.00 94.72 12 A 1 ATOM 95 O OD1 . ASP A 1 12 ? -1.732 2.114 -18.448 1.00 92.37 12 A 1 ATOM 96 O OD2 . ASP A 1 12 ? 0.137 2.091 -17.282 1.00 92.24 12 A 1 ATOM 97 N N . THR A 1 13 ? -4.387 2.339 -14.247 1.00 96.00 13 A 1 ATOM 98 C CA . THR A 1 13 ? -5.018 2.446 -12.938 1.00 96.01 13 A 1 ATOM 99 C C . THR A 1 13 ? -4.253 1.645 -11.891 1.00 96.19 13 A 1 ATOM 100 O O . THR A 1 13 ? -3.586 0.655 -12.201 1.00 95.66 13 A 1 ATOM 101 C CB . THR A 1 13 ? -6.499 2.045 -12.967 1.00 95.51 13 A 1 ATOM 102 O OG1 . THR A 1 13 ? -6.662 0.727 -13.427 1.00 92.95 13 A 1 ATOM 103 C CG2 . THR A 1 13 ? -7.318 2.952 -13.883 1.00 91.89 13 A 1 ATOM 104 N N . ILE A 1 14 ? -4.326 2.100 -10.654 1.00 95.94 14 A 1 ATOM 105 C CA . ILE A 1 14 ? -3.737 1.427 -9.499 1.00 95.85 14 A 1 ATOM 106 C C . ILE A 1 14 ? -4.857 1.130 -8.509 1.00 95.84 14 A 1 ATOM 107 O O . ILE A 1 14 ? -5.627 2.016 -8.150 1.00 95.18 14 A 1 ATOM 108 C CB . ILE A 1 14 ? -2.601 2.276 -8.891 1.00 95.23 14 A 1 ATOM 109 C CG1 . ILE A 1 14 ? -1.457 2.418 -9.924 1.00 93.53 14 A 1 ATOM 110 C CG2 . ILE A 1 14 ? -2.085 1.635 -7.591 1.00 93.84 14 A 1 ATOM 111 C CD1 . ILE A 1 14 ? -0.260 3.255 -9.455 1.00 89.45 14 A 1 ATOM 112 N N . GLU A 1 15 ? -4.919 -0.115 -8.038 1.00 95.35 15 A 1 ATOM 113 C CA . GLU A 1 15 ? -5.762 -0.513 -6.921 1.00 95.64 15 A 1 ATOM 114 C C . GLU A 1 15 ? -4.897 -0.801 -5.697 1.00 95.42 15 A 1 ATOM 115 O O . GLU A 1 15 ? -3.796 -1.342 -5.808 1.00 94.90 15 A 1 ATOM 116 C CB . GLU A 1 15 ? -6.655 -1.712 -7.267 1.00 95.42 15 A 1 ATOM 117 C CG . GLU A 1 15 ? -7.618 -1.393 -8.420 1.00 88.85 15 A 1 ATOM 118 C CD . GLU A 1 15 ? -8.746 -2.423 -8.612 1.00 87.72 15 A 1 ATOM 119 O OE1 . GLU A 1 15 ? -9.416 -2.317 -9.660 1.00 80.68 15 A 1 ATOM 120 O OE2 . GLU A 1 15 ? -9.020 -3.227 -7.690 1.00 82.48 15 A 1 ATOM 121 N N . VAL A 1 16 ? -5.401 -0.419 -4.531 1.00 95.18 16 A 1 ATOM 122 C CA . VAL A 1 16 ? -4.766 -0.665 -3.244 1.00 94.84 16 A 1 ATOM 123 C C . VAL A 1 16 ? -5.723 -1.488 -2.397 1.00 94.89 16 A 1 ATOM 124 O O . VAL A 1 16 ? -6.897 -1.145 -2.268 1.00 93.98 16 A 1 ATOM 125 C CB . VAL A 1 16 ? -4.375 0.649 -2.535 1.00 93.71 16 A 1 ATOM 126 C CG1 . VAL A 1 16 ? -3.617 0.368 -1.231 1.00 90.99 16 A 1 ATOM 127 C CG2 . VAL A 1 16 ? -3.485 1.522 -3.428 1.00 91.17 16 A 1 ATOM 128 N N . GLU A 1 17 ? -5.231 -2.564 -1.809 1.00 94.75 17 A 1 ATOM 129 C CA . GLU A 1 17 ? -6.015 -3.479 -0.998 1.00 94.75 17 A 1 ATOM 130 C C . GLU A 1 17 ? -5.340 -3.712 0.358 1.00 94.96 17 A 1 ATOM 131 O O . GLU A 1 17 ? -4.116 -3.849 0.440 1.00 94.21 17 A 1 ATOM 132 C CB . GLU A 1 17 ? -6.206 -4.824 -1.718 1.00 93.69 17 A 1 ATOM 133 C CG . GLU A 1 17 ? -6.953 -4.699 -3.057 1.00 88.59 17 A 1 ATOM 134 C CD . GLU A 1 17 ? -7.163 -6.073 -3.722 1.00 88.52 17 A 1 ATOM 135 O OE1 . GLU A 1 17 ? -8.199 -6.236 -4.388 1.00 80.90 17 A 1 ATOM 136 O OE2 . GLU A 1 17 ? -6.293 -6.971 -3.543 1.00 82.81 17 A 1 ATOM 137 N N . ALA A 1 18 ? -6.137 -3.795 1.415 1.00 94.37 18 A 1 ATOM 138 C CA . ALA A 1 18 ? -5.682 -4.325 2.690 1.00 93.84 18 A 1 ATOM 139 C C . ALA A 1 18 ? -5.655 -5.856 2.605 1.00 94.04 18 A 1 ATOM 140 O O . ALA A 1 18 ? -6.658 -6.485 2.268 1.00 93.07 18 A 1 ATOM 141 C CB . ALA A 1 18 ? -6.607 -3.818 3.804 1.00 92.49 18 A 1 ATOM 142 N N . VAL A 1 19 ? -4.523 -6.466 2.920 1.00 93.98 19 A 1 ATOM 143 C CA . VAL A 1 19 ? -4.381 -7.923 2.940 1.00 93.90 19 A 1 ATOM 144 C C . VAL A 1 19 ? -4.625 -8.406 4.368 1.00 93.52 19 A 1 ATOM 145 O O . VAL A 1 19 ? -3.828 -8.134 5.268 1.00 91.84 19 A 1 ATOM 146 C CB . VAL A 1 19 ? -3.005 -8.372 2.411 1.00 93.46 19 A 1 ATOM 147 C CG1 . VAL A 1 19 ? -2.901 -9.903 2.376 1.00 90.48 19 A 1 ATOM 148 C CG2 . VAL A 1 19 ? -2.761 -7.850 0.987 1.00 90.55 19 A 1 ATOM 149 N N . ASN A 1 20 ? -5.719 -9.136 4.556 1.00 93.36 20 A 1 ATOM 150 C CA . ASN A 1 20 ? -6.056 -9.726 5.847 1.00 92.78 20 A 1 ATOM 151 C C . ASN A 1 20 ? -5.228 -10.995 6.114 1.00 92.68 20 A 1 ATOM 152 O O . ASN A 1 20 ? -4.861 -11.728 5.196 1.00 90.90 20 A 1 ATOM 153 C CB . ASN A 1 20 ? -7.561 -9.980 5.919 1.00 91.63 20 A 1 ATOM 154 C CG . ASN A 1 20 ? -8.382 -8.705 5.953 1.00 89.32 20 A 1 ATOM 155 O OD1 . ASN A 1 20 ? -7.918 -7.614 6.257 1.00 82.59 20 A 1 ATOM 156 N ND2 . ASN A 1 20 ? -9.651 -8.791 5.639 1.00 82.81 20 A 1 ATOM 157 N N . SER A 1 21 ? -4.972 -11.249 7.397 1.00 91.30 21 A 1 ATOM 158 C CA . SER A 1 21 ? -4.421 -12.515 7.870 1.00 90.46 21 A 1 ATOM 159 C C . SER A 1 21 ? -5.345 -13.676 7.488 1.00 90.54 21 A 1 ATOM 160 O O . SER A 1 21 ? -6.561 -13.550 7.527 1.00 89.42 21 A 1 ATOM 161 C CB . SER A 1 21 ? -4.231 -12.460 9.390 1.00 88.67 21 A 1 ATOM 162 O OG . SER A 1 21 ? -3.847 -13.726 9.881 1.00 80.99 21 A 1 ATOM 163 N N . ARG A 1 22 ? -4.779 -14.811 7.127 1.00 90.92 22 A 1 ATOM 164 C CA . ARG A 1 22 ? -5.534 -16.035 6.829 1.00 90.42 22 A 1 ATOM 165 C C . ARG A 1 22 ? -6.026 -16.745 8.093 1.00 91.41 22 A 1 ATOM 166 O O . ARG A 1 22 ? -6.898 -17.592 7.983 1.00 89.39 22 A 1 ATOM 167 C CB . ARG A 1 22 ? -4.692 -17.001 5.986 1.00 89.87 22 A 1 ATOM 168 C CG . ARG A 1 22 ? -4.413 -16.462 4.578 1.00 83.28 22 A 1 ATOM 169 C CD . ARG A 1 22 ? -3.656 -17.521 3.776 1.00 77.95 22 A 1 ATOM 170 N NE . ARG A 1 22 ? -3.374 -17.069 2.396 1.00 71.46 22 A 1 ATOM 171 C CZ . ARG A 1 22 ? -2.745 -17.763 1.466 1.00 64.07 22 A 1 ATOM 172 N NH1 . ARG A 1 22 ? -2.288 -18.968 1.688 1.00 60.43 22 A 1 ATOM 173 N NH2 . ARG A 1 22 ? -2.555 -17.251 0.285 1.00 56.82 22 A 1 ATOM 174 N N . GLU A 1 23 ? -5.444 -16.417 9.243 1.00 90.62 23 A 1 ATOM 175 C CA . GLU A 1 23 ? -5.726 -17.098 10.510 1.00 90.69 23 A 1 ATOM 176 C C . GLU A 1 23 ? -6.940 -16.503 11.224 1.00 91.20 23 A 1 ATOM 177 O O . GLU A 1 23 ? -7.797 -17.235 11.693 1.00 89.29 23 A 1 ATOM 178 C CB . GLU A 1 23 ? -4.484 -17.016 11.409 1.00 90.11 23 A 1 ATOM 179 C CG . GLU A 1 23 ? -3.285 -17.784 10.821 1.00 81.43 23 A 1 ATOM 180 C CD . GLU A 1 23 ? -2.007 -17.672 11.663 1.00 75.47 23 A 1 ATOM 181 O OE1 . GLU A 1 23 ? -1.001 -18.286 11.230 1.00 68.85 23 A 1 ATOM 182 O OE2 . GLU A 1 23 ? -2.015 -16.955 12.682 1.00 69.40 23 A 1 ATOM 183 N N . ASP A 1 24 ? -7.017 -15.174 11.266 1.00 91.50 24 A 1 ATOM 184 C CA . ASP A 1 24 ? -8.042 -14.448 12.028 1.00 91.19 24 A 1 ATOM 185 C C . ASP A 1 24 ? -8.858 -13.451 11.185 1.00 91.75 24 A 1 ATOM 186 O O . ASP A 1 24 ? -9.727 -12.759 11.717 1.00 88.75 24 A 1 ATOM 187 C CB . ASP A 1 24 ? -7.381 -13.775 13.241 1.00 88.92 24 A 1 ATOM 188 C CG . ASP A 1 24 ? -6.430 -12.624 12.891 1.00 85.49 24 A 1 ATOM 189 O OD1 . ASP A 1 24 ? -6.176 -12.378 11.687 1.00 81.23 24 A 1 ATOM 190 O OD2 . ASP A 1 24 ? -5.979 -11.950 13.841 1.00 81.80 24 A 1 ATOM 191 N N . PHE A 1 25 ? -8.591 -13.389 9.873 1.00 90.98 25 A 1 ATOM 192 C CA . PHE A 1 25 ? -9.235 -12.492 8.908 1.00 90.97 25 A 1 ATOM 193 C C . PHE A 1 25 ? -9.131 -11.005 9.270 1.00 91.58 25 A 1 ATOM 194 O O . PHE A 1 25 ? -9.872 -10.179 8.731 1.00 89.02 25 A 1 ATOM 195 C CB . PHE A 1 25 ? -10.673 -12.941 8.615 1.00 90.47 25 A 1 ATOM 196 C CG . PHE A 1 25 ? -10.757 -14.352 8.080 1.00 85.83 25 A 1 ATOM 197 C CD1 . PHE A 1 25 ? -10.610 -14.591 6.699 1.00 80.92 25 A 1 ATOM 198 C CD2 . PHE A 1 25 ? -10.958 -15.434 8.955 1.00 81.46 25 A 1 ATOM 199 C CE1 . PHE A 1 25 ? -10.683 -15.900 6.194 1.00 77.27 25 A 1 ATOM 200 C CE2 . PHE A 1 25 ? -11.016 -16.745 8.451 1.00 77.66 25 A 1 ATOM 201 C CZ . PHE A 1 25 ? -10.887 -16.971 7.072 1.00 76.59 25 A 1 ATOM 202 N N . ARG A 1 26 ? -8.198 -10.628 10.141 1.00 92.05 26 A 1 ATOM 203 C CA . ARG A 1 26 ? -7.936 -9.232 10.506 1.00 91.41 26 A 1 ATOM 204 C C . ARG A 1 26 ? -6.810 -8.654 9.667 1.00 91.18 26 A 1 ATOM 205 O O . ARG A 1 26 ? -5.892 -9.343 9.240 1.00 89.86 26 A 1 ATOM 206 C CB . ARG A 1 26 ? -7.638 -9.115 12.006 1.00 91.28 26 A 1 ATOM 207 C CG . ARG A 1 26 ? -8.830 -9.570 12.840 1.00 86.83 26 A 1 ATOM 208 C CD . ARG A 1 26 ? -8.511 -9.441 14.333 1.00 84.87 26 A 1 ATOM 209 N NE . ARG A 1 26 ? -9.661 -9.828 15.145 1.00 77.66 26 A 1 ATOM 210 C CZ . ARG A 1 26 ? -9.720 -9.800 16.462 1.00 71.36 26 A 1 ATOM 211 N NH1 . ARG A 1 26 ? -8.703 -9.422 17.188 1.00 67.32 26 A 1 ATOM 212 N NH2 . ARG A 1 26 ? -10.811 -10.164 17.081 1.00 62.81 26 A 1 ATOM 213 N N . TRP A 1 27 ? -6.888 -7.360 9.455 1.00 91.55 27 A 1 ATOM 214 C CA . TRP A 1 27 ? -5.801 -6.661 8.802 1.00 90.76 27 A 1 ATOM 215 C C . TRP A 1 27 ? -4.593 -6.571 9.736 1.00 89.99 27 A 1 ATOM 216 O O . TRP A 1 27 ? -4.667 -5.976 10.815 1.00 87.81 27 A 1 ATOM 217 C CB . TRP A 1 27 ? -6.254 -5.283 8.329 1.00 89.33 27 A 1 ATOM 218 C CG . TRP A 1 27 ? -5.194 -4.521 7.609 1.00 88.31 27 A 1 ATOM 219 C CD1 . TRP A 1 27 ? -4.408 -4.990 6.609 1.00 85.19 27 A 1 ATOM 220 C CD2 . TRP A 1 27 ? -4.772 -3.136 7.817 1.00 86.97 27 A 1 ATOM 221 N NE1 . TRP A 1 27 ? -3.532 -4.001 6.189 1.00 83.58 27 A 1 ATOM 222 C CE2 . TRP A 1 27 ? -3.727 -2.838 6.904 1.00 85.06 27 A 1 ATOM 223 C CE3 . TRP A 1 27 ? -5.181 -2.113 8.692 1.00 82.57 27 A 1 ATOM 224 C CZ2 . TRP A 1 27 ? -3.110 -1.573 6.847 1.00 82.67 27 A 1 ATOM 225 C CZ3 . TRP A 1 27 ? -4.582 -0.849 8.653 1.00 81.80 27 A 1 ATOM 226 C CH2 . TRP A 1 27 ? -3.557 -0.577 7.734 1.00 81.14 27 A 1 ATOM 227 N N . ASN A 1 28 ? -3.466 -7.124 9.310 1.00 89.51 28 A 1 ATOM 228 C CA . ASN A 1 28 ? -2.200 -7.122 10.044 1.00 88.13 28 A 1 ATOM 229 C C . ASN A 1 28 ? -1.234 -6.012 9.578 1.00 89.22 28 A 1 ATOM 230 O O . ASN A 1 28 ? -0.032 -6.072 9.840 1.00 86.14 28 A 1 ATOM 231 C CB . ASN A 1 28 ? -1.586 -8.531 9.970 1.00 85.16 28 A 1 ATOM 232 C CG . ASN A 1 28 ? -1.154 -8.930 8.572 1.00 80.21 28 A 1 ATOM 233 O OD1 . ASN A 1 28 ? -1.304 -8.212 7.603 1.00 73.24 28 A 1 ATOM 234 N ND2 . ASN A 1 28 ? -0.607 -10.112 8.425 1.00 75.51 28 A 1 ATOM 235 N N . GLY A 1 29 ? -1.743 -5.015 8.847 1.00 89.72 29 A 1 ATOM 236 C CA . GLY A 1 29 ? -0.946 -3.925 8.302 1.00 90.12 29 A 1 ATOM 237 C C . GLY A 1 29 ? -0.297 -4.226 6.952 1.00 91.79 29 A 1 ATOM 238 O O . GLY A 1 29 ? 0.478 -3.401 6.462 1.00 90.66 29 A 1 ATOM 239 N N . LYS A 1 30 ? -0.595 -5.365 6.309 1.00 92.48 30 A 1 ATOM 240 C CA . LYS A 1 30 ? -0.110 -5.687 4.966 1.00 93.75 30 A 1 ATOM 241 C C . LYS A 1 30 ? -0.987 -5.043 3.898 1.00 94.49 30 A 1 ATOM 242 O O . LYS A 1 30 ? -2.208 -5.079 3.973 1.00 93.87 30 A 1 ATOM 243 C CB . LYS A 1 30 ? 0.013 -7.206 4.810 1.00 93.23 30 A 1 ATOM 244 C CG . LYS A 1 30 ? 1.015 -7.586 3.710 1.00 88.00 30 A 1 ATOM 245 C CD . LYS A 1 30 ? 1.083 -9.109 3.544 1.00 85.99 30 A 1 ATOM 246 C CE . LYS A 1 30 ? 2.238 -9.462 2.620 1.00 80.02 30 A 1 ATOM 247 N NZ . LYS A 1 30 ? 2.173 -10.858 2.140 1.00 73.53 30 A 1 ATOM 248 N N . ILE A 1 31 ? -0.352 -4.464 2.888 1.00 94.57 31 A 1 ATOM 249 C CA . ILE A 1 31 ? -0.980 -3.772 1.760 1.00 94.67 31 A 1 ATOM 250 C C . ILE A 1 31 ? -0.552 -4.460 0.477 1.00 95.15 31 A 1 ATOM 251 O O . ILE A 1 31 ? 0.618 -4.802 0.306 1.00 94.14 31 A 1 ATOM 252 C CB . ILE A 1 31 ? -0.586 -2.282 1.747 1.00 92.86 31 A 1 ATOM 253 C CG1 . ILE A 1 31 ? -0.945 -1.598 3.077 1.00 86.01 31 A 1 ATOM 254 C CG2 . ILE A 1 31 ? -1.258 -1.545 0.575 1.00 85.17 31 A 1 ATOM 255 C CD1 . ILE A 1 31 ? -0.398 -0.180 3.156 1.00 79.77 31 A 1 ATOM 256 N N . ARG A 1 32 ? -1.496 -4.608 -0.449 1.00 95.65 32 A 1 ATOM 257 C CA . ARG A 1 32 ? -1.254 -5.005 -1.833 1.00 96.04 32 A 1 ATOM 258 C C . ARG A 1 32 ? -1.500 -3.808 -2.741 1.00 95.97 32 A 1 ATOM 259 O O . ARG A 1 32 ? -2.518 -3.131 -2.613 1.00 95.26 32 A 1 ATOM 260 C CB . ARG A 1 32 ? -2.155 -6.193 -2.178 1.00 95.87 32 A 1 ATOM 261 C CG . ARG A 1 32 ? -1.896 -6.715 -3.601 1.00 93.75 32 A 1 ATOM 262 C CD . ARG A 1 32 ? -2.871 -7.851 -3.935 1.00 92.87 32 A 1 ATOM 263 N NE . ARG A 1 32 ? -2.613 -9.043 -3.108 1.00 88.54 32 A 1 ATOM 264 C CZ . ARG A 1 32 ? -3.470 -9.967 -2.768 1.00 86.48 32 A 1 ATOM 265 N NH1 . ARG A 1 32 ? -4.717 -9.938 -3.157 1.00 80.45 32 A 1 ATOM 266 N NH2 . ARG A 1 32 ? -3.078 -10.935 -2.010 1.00 79.18 32 A 1 ATOM 267 N N . VAL A 1 33 ? -0.594 -3.565 -3.683 1.00 95.36 33 A 1 ATOM 268 C CA . VAL A 1 33 ? -0.766 -2.573 -4.744 1.00 95.36 33 A 1 ATOM 269 C C . VAL A 1 33 ? -0.739 -3.298 -6.084 1.00 95.60 33 A 1 ATOM 270 O O . VAL A 1 33 ? 0.195 -4.043 -6.363 1.00 95.26 33 A 1 ATOM 271 C CB . VAL A 1 33 ? 0.300 -1.465 -4.675 1.00 94.66 33 A 1 ATOM 272 C CG1 . VAL A 1 33 ? 0.069 -0.420 -5.760 1.00 92.01 33 A 1 ATOM 273 C CG2 . VAL A 1 33 ? 0.288 -0.759 -3.319 1.00 92.09 33 A 1 ATOM 274 N N . ILE A 1 34 ? -1.769 -3.064 -6.895 1.00 95.60 34 A 1 ATOM 275 C CA . ILE A 1 34 ? -1.970 -3.696 -8.198 1.00 96.10 34 A 1 ATOM 276 C C . ILE A 1 34 ? -1.980 -2.602 -9.264 1.00 96.07 34 A 1 ATOM 277 O O . ILE A 1 34 ? -2.740 -1.642 -9.172 1.00 95.88 34 A 1 ATOM 278 C CB . ILE A 1 34 ? -3.268 -4.529 -8.230 1.00 96.57 34 A 1 ATOM 279 C CG1 . ILE A 1 34 ? -3.395 -5.470 -7.008 1.00 95.23 34 A 1 ATOM 280 C CG2 . ILE A 1 34 ? -3.299 -5.334 -9.538 1.00 94.67 34 A 1 ATOM 281 C CD1 . ILE A 1 34 ? -4.721 -6.229 -6.931 1.00 92.50 34 A 1 ATOM 282 N N . HIS A 1 35 ? -1.141 -2.742 -10.271 1.00 96.11 35 A 1 ATOM 283 C CA . HIS A 1 35 ? -1.078 -1.848 -11.422 1.00 96.31 35 A 1 ATOM 284 C C . HIS A 1 35 ? -1.718 -2.523 -12.636 1.00 96.58 35 A 1 ATOM 285 O O . HIS A 1 35 ? -1.274 -3.595 -13.055 1.00 96.47 35 A 1 ATOM 286 C CB . HIS A 1 35 ? 0.388 -1.477 -11.664 1.00 95.80 35 A 1 ATOM 287 C CG . HIS A 1 35 ? 0.665 -0.707 -12.931 1.00 95.68 35 A 1 ATOM 288 N ND1 . HIS A 1 35 ? 1.862 -0.758 -13.644 1.00 90.96 35 A 1 ATOM 289 C CD2 . HIS A 1 35 ? -0.180 0.139 -13.584 1.00 90.93 35 A 1 ATOM 290 C CE1 . HIS A 1 35 ? 1.717 0.041 -14.701 1.00 91.40 35 A 1 ATOM 291 N NE2 . HIS A 1 35 ? 0.493 0.604 -14.704 1.00 91.91 35 A 1 ATOM 292 N N . TYR A 1 36 ? -2.716 -1.862 -13.205 1.00 96.36 36 A 1 ATOM 293 C CA . TYR A 1 36 ? -3.411 -2.272 -14.415 1.00 96.54 36 A 1 ATOM 294 C C . TYR A 1 36 ? -3.045 -1.355 -15.577 1.00 96.44 36 A 1 ATOM 295 O O . TYR A 1 36 ? -3.054 -0.135 -15.443 1.00 95.92 36 A 1 ATOM 296 C CB . TYR A 1 36 ? -4.923 -2.257 -14.208 1.00 96.36 36 A 1 ATOM 297 C CG . TYR A 1 36 ? -5.429 -3.198 -13.132 1.00 96.11 36 A 1 ATOM 298 C CD1 . TYR A 1 36 ? -5.850 -4.503 -13.473 1.00 92.71 36 A 1 ATOM 299 C CD2 . TYR A 1 36 ? -5.496 -2.773 -11.792 1.00 93.84 36 A 1 ATOM 300 C CE1 . TYR A 1 36 ? -6.355 -5.366 -12.480 1.00 92.29 36 A 1 ATOM 301 C CE2 . TYR A 1 36 ? -5.984 -3.635 -10.800 1.00 93.02 36 A 1 ATOM 302 C CZ . TYR A 1 36 ? -6.421 -4.922 -11.150 1.00 94.20 36 A 1 ATOM 303 O OH . TYR A 1 36 ? -6.913 -5.754 -10.186 1.00 92.61 36 A 1 ATOM 304 N N . SER A 1 37 ? -2.804 -1.959 -16.740 1.00 95.74 37 A 1 ATOM 305 C CA . SER A 1 37 ? -2.690 -1.275 -18.021 1.00 95.30 37 A 1 ATOM 306 C C . SER A 1 37 ? -3.568 -1.981 -19.042 1.00 95.46 37 A 1 ATOM 307 O O . SER A 1 37 ? -3.542 -3.204 -19.144 1.00 94.81 37 A 1 ATOM 308 C CB . SER A 1 37 ? -1.232 -1.243 -18.476 1.00 94.66 37 A 1 ATOM 309 O OG . SER A 1 37 ? -1.091 -0.348 -19.559 1.00 87.52 37 A 1 ATOM 310 N N . ALA A 1 38 ? -4.399 -1.221 -19.779 1.00 95.02 38 A 1 ATOM 311 C CA . ALA A 1 38 ? -5.379 -1.762 -20.715 1.00 95.06 38 A 1 ATOM 312 C C . ALA A 1 38 ? -6.256 -2.895 -20.130 1.00 95.30 38 A 1 ATOM 313 O O . ALA A 1 38 ? -6.600 -3.846 -20.820 1.00 93.20 38 A 1 ATOM 314 C CB . ALA A 1 38 ? -4.663 -2.131 -22.019 1.00 94.67 38 A 1 ATOM 315 N N . GLY A 1 39 ? -6.598 -2.795 -18.838 1.00 94.49 39 A 1 ATOM 316 C CA . GLY A 1 39 ? -7.410 -3.790 -18.119 1.00 93.90 39 A 1 ATOM 317 C C . GLY A 1 39 ? -6.672 -5.068 -17.711 1.00 95.14 39 A 1 ATOM 318 O O . GLY A 1 39 ? -7.293 -5.971 -17.153 1.00 93.72 39 A 1 ATOM 319 N N . GLN A 1 40 ? -5.372 -5.164 -17.965 1.00 94.93 40 A 1 ATOM 320 C CA . GLN A 1 40 ? -4.544 -6.304 -17.559 1.00 95.81 40 A 1 ATOM 321 C C . GLN A 1 40 ? -3.650 -5.943 -16.372 1.00 96.49 40 A 1 ATOM 322 O O . GLN A 1 40 ? -3.156 -4.818 -16.274 1.00 95.97 40 A 1 ATOM 323 C CB . GLN A 1 40 ? -3.695 -6.792 -18.739 1.00 95.56 40 A 1 ATOM 324 C CG . GLN A 1 40 ? -4.570 -7.323 -19.885 1.00 89.82 40 A 1 ATOM 325 C CD . GLN A 1 40 ? -3.748 -7.962 -21.007 1.00 83.90 40 A 1 ATOM 326 O OE1 . GLN A 1 40 ? -2.555 -7.758 -21.163 1.00 76.02 40 A 1 ATOM 327 N NE2 . GLN A 1 40 ? -4.361 -8.768 -21.833 1.00 72.71 40 A 1 ATOM 328 N N . ILE A 1 41 ? -3.409 -6.908 -15.498 1.00 96.07 41 A 1 ATOM 329 C CA . ILE A 1 41 ? -2.456 -6.748 -14.392 1.00 96.18 41 A 1 ATOM 330 C C . ILE A 1 41 ? -1.036 -6.750 -14.964 1.00 95.82 41 A 1 ATOM 331 O O . ILE A 1 41 ? -0.611 -7.723 -15.576 1.00 94.14 41 A 1 ATOM 332 C CB . ILE A 1 41 ? -2.639 -7.847 -13.335 1.00 95.89 41 A 1 ATOM 333 C CG1 . ILE A 1 41 ? -4.045 -7.759 -12.688 1.00 94.83 41 A 1 ATOM 334 C CG2 . ILE A 1 41 ? -1.544 -7.718 -12.265 1.00 94.59 41 A 1 ATOM 335 C CD1 . ILE A 1 41 ? -4.404 -8.954 -11.803 1.00 91.78 41 A 1 ATOM 336 N N . VAL A 1 42 ? -0.300 -5.675 -14.705 1.00 96.12 42 A 1 ATOM 337 C CA . VAL A 1 42 ? 1.092 -5.518 -15.147 1.00 95.45 42 A 1 ATOM 338 C C . VAL A 1 42 ? 2.062 -5.745 -13.992 1.00 95.64 42 A 1 ATOM 339 O O . VAL A 1 42 ? 3.085 -6.404 -14.162 1.00 94.21 42 A 1 ATOM 340 C CB . VAL A 1 42 ? 1.312 -4.134 -15.772 1.00 94.11 42 A 1 ATOM 341 C CG1 . VAL A 1 42 ? 2.722 -3.984 -16.343 1.00 86.13 42 A 1 ATOM 342 C CG2 . VAL A 1 42 ? 0.329 -3.881 -16.911 1.00 85.95 42 A 1 ATOM 343 N N . ASN A 1 43 ? 1.735 -5.216 -12.797 1.00 96.08 43 A 1 ATOM 344 C CA . ASN A 1 43 ? 2.561 -5.383 -11.613 1.00 95.78 43 A 1 ATOM 345 C C . ASN A 1 43 ? 1.692 -5.607 -10.373 1.00 96.45 43 A 1 ATOM 346 O O . ASN A 1 43 ? 0.626 -5.010 -10.235 1.00 96.12 43 A 1 ATOM 347 C CB . ASN A 1 43 ? 3.464 -4.154 -11.402 1.00 94.49 43 A 1 ATOM 348 C CG . ASN A 1 43 ? 4.387 -3.853 -12.566 1.00 91.20 43 A 1 ATOM 349 O OD1 . ASN A 1 43 ? 5.375 -4.523 -12.797 1.00 85.00 43 A 1 ATOM 350 N ND2 . ASN A 1 43 ? 4.129 -2.793 -13.303 1.00 83.75 43 A 1 ATOM 351 N N . ILE A 1 44 ? 2.200 -6.423 -9.443 1.00 95.71 44 A 1 ATOM 352 C CA . ILE A 1 44 ? 1.645 -6.593 -8.097 1.00 96.14 44 A 1 ATOM 353 C C . ILE A 1 44 ? 2.796 -6.545 -7.101 1.00 95.88 44 A 1 ATOM 354 O O . ILE A 1 44 ? 3.806 -7.211 -7.303 1.00 94.46 44 A 1 ATOM 355 C CB . ILE A 1 44 ? 0.859 -7.919 -7.945 1.00 95.65 44 A 1 ATOM 356 C CG1 . ILE A 1 44 ? -0.289 -8.008 -8.968 1.00 88.86 44 A 1 ATOM 357 C CG2 . ILE A 1 44 ? 0.319 -8.054 -6.504 1.00 88.09 44 A 1 ATOM 358 C CD1 . ILE A 1 44 ? -1.089 -9.309 -8.887 1.00 84.49 44 A 1 ATOM 359 N N . ILE A 1 45 ? 2.623 -5.794 -6.021 1.00 95.55 45 A 1 ATOM 360 C CA . ILE A 1 45 ? 3.527 -5.828 -4.869 1.00 95.15 45 A 1 ATOM 361 C C . ILE A 1 45 ? 2.734 -5.923 -3.573 1.00 95.35 45 A 1 ATOM 362 O O . ILE A 1 45 ? 1.630 -5.395 -3.460 1.00 94.97 45 A 1 ATOM 363 C CB . ILE A 1 45 ? 4.492 -4.622 -4.839 1.00 94.03 45 A 1 ATOM 364 C CG1 . ILE A 1 45 ? 3.748 -3.273 -4.801 1.00 86.10 45 A 1 ATOM 365 C CG2 . ILE A 1 45 ? 5.461 -4.727 -6.023 1.00 85.12 45 A 1 ATOM 366 C CD1 . ILE A 1 45 ? 4.661 -2.061 -4.615 1.00 82.28 45 A 1 ATOM 367 N N . GLU A 1 46 ? 3.325 -6.570 -2.578 1.00 94.97 46 A 1 ATOM 368 C CA . GLU A 1 46 ? 2.813 -6.615 -1.211 1.00 94.84 46 A 1 ATOM 369 C C . GLU A 1 46 ? 3.901 -6.171 -0.240 1.00 94.45 46 A 1 ATOM 370 O O . GLU A 1 46 ? 5.047 -6.609 -0.347 1.00 93.08 46 A 1 ATOM 371 C CB . GLU A 1 46 ? 2.313 -8.011 -0.840 1.00 94.05 46 A 1 ATOM 372 C CG . GLU A 1 46 ? 1.069 -8.450 -1.621 1.00 89.40 46 A 1 ATOM 373 C CD . GLU A 1 46 ? 0.498 -9.794 -1.139 1.00 89.20 46 A 1 ATOM 374 O OE1 . GLU A 1 46 ? -0.581 -10.180 -1.649 1.00 82.60 46 A 1 ATOM 375 O OE2 . GLU A 1 46 ? 1.079 -10.437 -0.234 1.00 84.39 46 A 1 ATOM 376 N N . PHE A 1 47 ? 3.538 -5.306 0.713 1.00 93.56 47 A 1 ATOM 377 C CA . PHE A 1 47 ? 4.456 -4.784 1.724 1.00 93.17 47 A 1 ATOM 378 C C . PHE A 1 47 ? 3.673 -4.377 2.978 1.00 93.89 47 A 1 ATOM 379 O O . PHE A 1 47 ? 2.451 -4.278 2.949 1.00 93.29 47 A 1 ATOM 380 C CB . PHE A 1 47 ? 5.242 -3.596 1.140 1.00 92.10 47 A 1 ATOM 381 C CG . PHE A 1 47 ? 4.398 -2.482 0.554 1.00 91.61 47 A 1 ATOM 382 C CD1 . PHE A 1 47 ? 4.016 -2.518 -0.799 1.00 89.35 47 A 1 ATOM 383 C CD2 . PHE A 1 47 ? 3.977 -1.415 1.368 1.00 89.92 47 A 1 ATOM 384 C CE1 . PHE A 1 47 ? 3.218 -1.499 -1.331 1.00 87.56 47 A 1 ATOM 385 C CE2 . PHE A 1 47 ? 3.175 -0.391 0.830 1.00 87.91 47 A 1 ATOM 386 C CZ . PHE A 1 47 ? 2.796 -0.437 -0.518 1.00 87.78 47 A 1 ATOM 387 N N . TYR A 1 48 ? 4.367 -4.136 4.086 1.00 92.71 48 A 1 ATOM 388 C CA . TYR A 1 48 ? 3.718 -3.628 5.292 1.00 92.65 48 A 1 ATOM 389 C C . TYR A 1 48 ? 3.530 -2.105 5.236 1.00 91.81 48 A 1 ATOM 390 O O . TYR A 1 48 ? 4.326 -1.392 4.635 1.00 90.04 48 A 1 ATOM 391 C CB . TYR A 1 48 ? 4.503 -4.053 6.541 1.00 92.43 48 A 1 ATOM 392 C CG . TYR A 1 48 ? 4.395 -5.539 6.823 1.00 91.34 48 A 1 ATOM 393 C CD1 . TYR A 1 48 ? 3.269 -6.041 7.504 1.00 87.87 48 A 1 ATOM 394 C CD2 . TYR A 1 48 ? 5.409 -6.420 6.398 1.00 88.54 48 A 1 ATOM 395 C CE1 . TYR A 1 48 ? 3.160 -7.413 7.771 1.00 86.71 48 A 1 ATOM 396 C CE2 . TYR A 1 48 ? 5.300 -7.802 6.659 1.00 86.92 48 A 1 ATOM 397 C CZ . TYR A 1 48 ? 4.175 -8.296 7.347 1.00 87.86 48 A 1 ATOM 398 O OH . TYR A 1 48 ? 4.077 -9.629 7.610 1.00 86.19 48 A 1 ATOM 399 N N . HIS A 1 49 ? 2.488 -1.596 5.900 1.00 90.92 49 A 1 ATOM 400 C CA . HIS A 1 49 ? 2.118 -0.177 5.842 1.00 89.78 49 A 1 ATOM 401 C C . HIS A 1 49 ? 3.248 0.790 6.247 1.00 89.84 49 A 1 ATOM 402 O O . HIS A 1 49 ? 3.278 1.922 5.773 1.00 88.81 49 A 1 ATOM 403 C CB . HIS A 1 49 ? 0.874 0.047 6.715 1.00 88.24 49 A 1 ATOM 404 C CG . HIS A 1 49 ? 1.159 0.031 8.193 1.00 85.51 49 A 1 ATOM 405 N ND1 . HIS A 1 49 ? 1.420 1.131 8.988 1.00 77.46 49 A 1 ATOM 406 C CD2 . HIS A 1 49 ? 1.257 -1.068 9.013 1.00 76.78 49 A 1 ATOM 407 C CE1 . HIS A 1 49 ? 1.666 0.702 10.238 1.00 75.95 49 A 1 ATOM 408 N NE2 . HIS A 1 49 ? 1.579 -0.633 10.297 1.00 77.57 49 A 1 ATOM 409 N N . HIS A 1 50 ? 4.184 0.356 7.101 1.00 88.70 50 A 1 ATOM 410 C CA . HIS A 1 50 ? 5.327 1.183 7.503 1.00 88.56 50 A 1 ATOM 411 C C . HIS A 1 50 ? 6.316 1.429 6.358 1.00 88.88 50 A 1 ATOM 412 O O . HIS A 1 50 ? 6.978 2.458 6.352 1.00 87.72 50 A 1 ATOM 413 C CB . HIS A 1 50 ? 5.987 0.583 8.749 1.00 87.81 50 A 1 ATOM 414 C CG . HIS A 1 50 ? 6.442 -0.847 8.608 1.00 84.79 50 A 1 ATOM 415 N ND1 . HIS A 1 50 ? 5.786 -1.962 9.106 1.00 78.05 50 A 1 ATOM 416 C CD2 . HIS A 1 50 ? 7.600 -1.285 8.030 1.00 76.18 50 A 1 ATOM 417 C CE1 . HIS A 1 50 ? 6.540 -3.037 8.844 1.00 76.59 50 A 1 ATOM 418 N NE2 . HIS A 1 50 ? 7.645 -2.679 8.193 1.00 77.55 50 A 1 ATOM 419 N N . ASP A 1 51 ? 6.329 0.551 5.345 1.00 90.34 51 A 1 ATOM 420 C CA . ASP A 1 51 ? 7.148 0.675 4.137 1.00 90.86 51 A 1 ATOM 421 C C . ASP A 1 51 ? 6.448 1.448 3.005 1.00 90.91 51 A 1 ATOM 422 O O . ASP A 1 51 ? 6.983 1.548 1.899 1.00 89.96 51 A 1 ATOM 423 C CB . ASP A 1 51 ? 7.565 -0.722 3.648 1.00 90.38 51 A 1 ATOM 424 C CG . ASP A 1 51 ? 8.497 -1.442 4.610 1.00 87.57 51 A 1 ATOM 425 O OD1 . ASP A 1 51 ? 9.428 -0.783 5.113 1.00 84.63 51 A 1 ATOM 426 O OD2 . ASP A 1 51 ? 8.293 -2.668 4.786 1.00 83.93 51 A 1 ATOM 427 N N . LEU A 1 52 ? 5.256 2.031 3.242 1.00 89.94 52 A 1 ATOM 428 C CA . LEU A 1 52 ? 4.451 2.698 2.217 1.00 89.66 52 A 1 ATOM 429 C C . LEU A 1 52 ? 5.220 3.801 1.479 1.00 90.07 52 A 1 ATOM 430 O O . LEU A 1 52 ? 5.249 3.816 0.246 1.00 89.54 52 A 1 ATOM 431 C CB . LEU A 1 52 ? 3.165 3.236 2.873 1.00 88.43 52 A 1 ATOM 432 C CG . LEU A 1 52 ? 2.243 4.008 1.914 1.00 85.76 52 A 1 ATOM 433 C CD1 . LEU A 1 52 ? 1.737 3.144 0.762 1.00 82.82 52 A 1 ATOM 434 C CD2 . LEU A 1 52 ? 1.034 4.533 2.687 1.00 82.46 52 A 1 ATOM 435 N N . ASP A 1 53 ? 5.884 4.701 2.201 1.00 88.46 53 A 1 ATOM 436 C CA . ASP A 1 53 ? 6.641 5.805 1.580 1.00 88.33 53 A 1 ATOM 437 C C . ASP A 1 53 ? 7.819 5.283 0.754 1.00 89.44 53 A 1 ATOM 438 O O . ASP A 1 53 ? 8.114 5.793 -0.333 1.00 88.95 53 A 1 ATOM 439 C CB . ASP A 1 53 ? 7.185 6.757 2.657 1.00 86.33 53 A 1 ATOM 440 C CG . ASP A 1 53 ? 6.101 7.445 3.479 1.00 81.13 53 A 1 ATOM 441 O OD1 . ASP A 1 53 ? 4.944 7.529 3.031 1.00 77.33 53 A 1 ATOM 442 O OD2 . ASP A 1 53 ? 6.403 7.803 4.636 1.00 75.61 53 A 1 ATOM 443 N N . TRP A 1 54 ? 8.479 4.244 1.263 1.00 90.21 54 A 1 ATOM 444 C CA . TRP A 1 54 ? 9.555 3.572 0.554 1.00 90.49 54 A 1 ATOM 445 C C . TRP A 1 54 ? 9.037 2.942 -0.734 1.00 91.31 54 A 1 ATOM 446 O O . TRP A 1 54 ? 9.633 3.155 -1.792 1.00 90.80 54 A 1 ATOM 447 C CB . TRP A 1 54 ? 10.217 2.534 1.475 1.00 89.78 54 A 1 ATOM 448 C CG . TRP A 1 54 ? 11.313 1.737 0.832 1.00 86.01 54 A 1 ATOM 449 C CD1 . TRP A 1 54 ? 12.629 2.038 0.874 1.00 81.55 54 A 1 ATOM 450 C CD2 . TRP A 1 54 ? 11.201 0.527 0.021 1.00 83.50 54 A 1 ATOM 451 N NE1 . TRP A 1 54 ? 13.340 1.104 0.156 1.00 77.09 54 A 1 ATOM 452 C CE2 . TRP A 1 54 ? 12.510 0.149 -0.406 1.00 80.70 54 A 1 ATOM 453 C CE3 . TRP A 1 54 ? 10.127 -0.274 -0.408 1.00 74.03 54 A 1 ATOM 454 C CZ2 . TRP A 1 54 ? 12.737 -0.969 -1.228 1.00 77.52 54 A 1 ATOM 455 C CZ3 . TRP A 1 54 ? 10.349 -1.403 -1.239 1.00 74.23 54 A 1 ATOM 456 C CH2 . TRP A 1 54 ? 11.647 -1.747 -1.647 1.00 72.81 54 A 1 ATOM 457 N N . ALA A 1 55 ? 7.910 2.233 -0.687 1.00 91.11 55 A 1 ATOM 458 C CA . ALA A 1 55 ? 7.309 1.593 -1.849 1.00 90.86 55 A 1 ATOM 459 C C . ALA A 1 55 ? 6.867 2.626 -2.899 1.00 91.02 55 A 1 ATOM 460 O O . ALA A 1 55 ? 7.246 2.512 -4.060 1.00 90.41 55 A 1 ATOM 461 C CB . ALA A 1 55 ? 6.153 0.697 -1.373 1.00 90.56 55 A 1 ATOM 462 N N . ILE A 1 56 ? 6.160 3.688 -2.493 1.00 89.91 56 A 1 ATOM 463 C CA . ILE A 1 56 ? 5.736 4.773 -3.386 1.00 89.44 56 A 1 ATOM 464 C C . ILE A 1 56 ? 6.947 5.383 -4.104 1.00 90.55 56 A 1 ATOM 465 O O . ILE A 1 56 ? 6.933 5.538 -5.329 1.00 90.17 56 A 1 ATOM 466 C CB . ILE A 1 56 ? 4.938 5.842 -2.592 1.00 88.28 56 A 1 ATOM 467 C CG1 . ILE A 1 56 ? 3.555 5.269 -2.213 1.00 86.22 56 A 1 ATOM 468 C CG2 . ILE A 1 56 ? 4.769 7.145 -3.401 1.00 85.90 56 A 1 ATOM 469 C CD1 . ILE A 1 56 ? 2.754 6.160 -1.250 1.00 80.34 56 A 1 ATOM 470 N N . LYS A 1 57 ? 8.010 5.675 -3.371 1.00 89.91 57 A 1 ATOM 471 C CA . LYS A 1 57 ? 9.221 6.279 -3.937 1.00 90.35 57 A 1 ATOM 472 C C . LYS A 1 57 ? 9.970 5.345 -4.885 1.00 91.54 57 A 1 ATOM 473 O O . LYS A 1 57 ? 10.361 5.766 -5.975 1.00 91.07 57 A 1 ATOM 474 C CB . LYS A 1 57 ? 10.105 6.760 -2.772 1.00 89.37 57 A 1 ATOM 475 C CG . LYS A 1 57 ? 11.340 7.529 -3.258 1.00 79.82 57 A 1 ATOM 476 C CD . LYS A 1 57 ? 12.143 8.029 -2.052 1.00 77.33 57 A 1 ATOM 477 C CE . LYS A 1 57 ? 13.386 8.794 -2.509 1.00 68.61 57 A 1 ATOM 478 N NZ . LYS A 1 57 ? 14.179 9.288 -1.347 1.00 61.88 57 A 1 ATOM 479 N N . ASN A 1 58 ? 10.177 4.091 -4.479 1.00 92.21 58 A 1 ATOM 480 C CA . ASN A 1 58 ? 11.020 3.155 -5.230 1.00 92.48 58 A 1 ATOM 481 C C . ASN A 1 58 ? 10.323 2.582 -6.463 1.00 93.22 58 A 1 ATOM 482 O O . ASN A 1 58 ? 10.964 2.464 -7.507 1.00 92.55 58 A 1 ATOM 483 C CB . ASN A 1 58 ? 11.551 2.051 -4.319 1.00 91.19 58 A 1 ATOM 484 C CG . ASN A 1 58 ? 12.653 2.576 -3.422 1.00 83.81 58 A 1 ATOM 485 O OD1 . ASN A 1 58 ? 13.772 2.817 -3.848 1.00 76.59 58 A 1 ATOM 486 N ND2 . ASN A 1 58 ? 12.373 2.832 -2.172 1.00 75.05 58 A 1 ATOM 487 N N . PHE A 1 59 ? 9.010 2.309 -6.380 1.00 92.11 59 A 1 ATOM 488 C CA . PHE A 1 59 ? 8.230 1.846 -7.529 1.00 92.69 59 A 1 ATOM 489 C C . PHE A 1 59 ? 7.668 2.999 -8.370 1.00 93.23 59 A 1 ATOM 490 O O . PHE A 1 59 ? 7.162 2.772 -9.459 1.00 92.00 59 A 1 ATOM 491 C CB . PHE A 1 59 ? 7.152 0.865 -7.056 1.00 92.66 59 A 1 ATOM 492 C CG . PHE A 1 59 ? 7.729 -0.398 -6.446 1.00 92.00 59 A 1 ATOM 493 C CD1 . PHE A 1 59 ? 8.276 -1.389 -7.282 1.00 88.64 59 A 1 ATOM 494 C CD2 . PHE A 1 59 ? 7.759 -0.566 -5.050 1.00 89.04 59 A 1 ATOM 495 C CE1 . PHE A 1 59 ? 8.840 -2.545 -6.728 1.00 87.07 59 A 1 ATOM 496 C CE2 . PHE A 1 59 ? 8.330 -1.730 -4.495 1.00 87.69 59 A 1 ATOM 497 C CZ . PHE A 1 59 ? 8.873 -2.723 -5.333 1.00 88.16 59 A 1 ATOM 498 N N . GLY A 1 60 ? 7.782 4.246 -7.906 1.00 92.56 60 A 1 ATOM 499 C CA . GLY A 1 60 ? 7.276 5.410 -8.637 1.00 92.36 60 A 1 ATOM 500 C C . GLY A 1 60 ? 5.746 5.424 -8.733 1.00 92.60 60 A 1 ATOM 501 O O . GLY A 1 60 ? 5.206 5.886 -9.736 1.00 90.51 60 A 1 ATOM 502 N N . ILE A 1 61 ? 5.062 4.916 -7.712 1.00 91.31 61 A 1 ATOM 503 C CA . ILE A 1 61 ? 3.593 4.829 -7.662 1.00 90.37 61 A 1 ATOM 504 C C . ILE A 1 61 ? 3.015 6.243 -7.682 1.00 89.63 61 A 1 ATOM 505 O O . ILE A 1 61 ? 3.263 7.059 -6.797 1.00 88.22 61 A 1 ATOM 506 C CB . ILE A 1 61 ? 3.130 4.026 -6.429 1.00 90.20 61 A 1 ATOM 507 C CG1 . ILE A 1 61 ? 3.644 2.575 -6.507 1.00 89.17 61 A 1 ATOM 508 C CG2 . ILE A 1 61 ? 1.591 4.037 -6.312 1.00 88.74 61 A 1 ATOM 509 C CD1 . ILE A 1 61 ? 3.477 1.774 -5.200 1.00 84.73 61 A 1 ATOM 510 N N . LYS A 1 62 ? 2.220 6.544 -8.705 1.00 86.58 62 A 1 ATOM 511 C CA . LYS A 1 62 ? 1.548 7.834 -8.838 1.00 84.93 62 A 1 ATOM 512 C C . LYS A 1 62 ? 0.201 7.776 -8.121 1.00 86.47 62 A 1 ATOM 513 O O . LYS A 1 62 ? -0.721 7.136 -8.622 1.00 85.20 62 A 1 ATOM 514 C CB . LYS A 1 62 ? 1.374 8.195 -10.326 1.00 83.05 62 A 1 ATOM 515 C CG . LYS A 1 62 ? 2.715 8.409 -11.052 1.00 79.83 62 A 1 ATOM 516 C CD . LYS A 1 62 ? 2.461 8.693 -12.536 1.00 76.20 62 A 1 ATOM 517 C CE . LYS A 1 62 ? 3.779 8.766 -13.317 1.00 71.16 62 A 1 ATOM 518 N NZ . LYS A 1 62 ? 3.541 8.733 -14.784 1.00 62.73 62 A 1 ATOM 519 N N . LEU A 1 63 ? 0.052 8.497 -7.010 1.00 87.69 63 A 1 ATOM 520 C CA . LEU A 1 63 ? -1.212 8.543 -6.256 1.00 86.82 63 A 1 ATOM 521 C C . LEU A 1 63 ? -2.409 9.002 -7.111 1.00 89.09 63 A 1 ATOM 522 O O . LEU A 1 63 ? -3.515 8.542 -6.906 1.00 87.95 63 A 1 ATOM 523 C CB . LEU A 1 63 ? -1.056 9.456 -5.028 1.00 84.29 63 A 1 ATOM 524 C CG . LEU A 1 63 ? 0.004 8.997 -4.007 1.00 78.61 63 A 1 ATOM 525 C CD1 . LEU A 1 63 ? 0.041 9.980 -2.845 1.00 74.82 63 A 1 ATOM 526 C CD2 . LEU A 1 63 ? -0.273 7.602 -3.458 1.00 73.42 63 A 1 ATOM 527 N N . LYS A 1 64 ? -2.177 9.843 -8.129 1.00 86.84 64 A 1 ATOM 528 C CA . LYS A 1 64 ? -3.215 10.263 -9.090 1.00 87.86 64 A 1 ATOM 529 C C . LYS A 1 64 ? -3.774 9.123 -9.948 1.00 90.20 64 A 1 ATOM 530 O O . LYS A 1 64 ? -4.833 9.299 -10.530 1.00 89.19 64 A 1 ATOM 531 C CB . LYS A 1 64 ? -2.661 11.353 -10.024 1.00 86.38 64 A 1 ATOM 532 C CG . LYS A 1 64 ? -2.339 12.661 -9.292 1.00 77.71 64 A 1 ATOM 533 C CD . LYS A 1 64 ? -1.924 13.744 -10.296 1.00 74.60 64 A 1 ATOM 534 C CE . LYS A 1 64 ? -1.643 15.058 -9.557 1.00 65.42 64 A 1 ATOM 535 N NZ . LYS A 1 64 ? -1.322 16.161 -10.487 1.00 58.58 64 A 1 ATOM 536 N N . ALA A 1 65 ? -3.062 8.015 -10.065 1.00 89.52 65 A 1 ATOM 537 C CA . ALA A 1 65 ? -3.496 6.828 -10.794 1.00 90.83 65 A 1 ATOM 538 C C . ALA A 1 65 ? -4.242 5.817 -9.900 1.00 92.81 65 A 1 ATOM 539 O O . ALA A 1 65 ? -4.706 4.810 -10.406 1.00 92.41 65 A 1 ATOM 540 C CB . ALA A 1 65 ? -2.275 6.200 -11.488 1.00 90.23 65 A 1 ATOM 541 N N . VAL A 1 66 ? -4.337 6.081 -8.584 1.00 91.38 66 A 1 ATOM 542 C CA . VAL A 1 66 ? -5.095 5.231 -7.664 1.00 91.84 66 A 1 ATOM 543 C C . VAL A 1 66 ? -6.582 5.413 -7.934 1.00 92.21 66 A 1 ATOM 544 O O . VAL A 1 66 ? -7.144 6.471 -7.672 1.00 91.23 66 A 1 ATOM 545 C CB . VAL A 1 66 ? -4.747 5.507 -6.191 1.00 91.56 66 A 1 ATOM 546 C CG1 . VAL A 1 66 ? -5.543 4.605 -5.251 1.00 89.19 66 A 1 ATOM 547 C CG2 . VAL A 1 66 ? -3.253 5.255 -5.920 1.00 88.68 66 A 1 ATOM 548 N N . SER A 1 67 ? -7.218 4.380 -8.488 1.00 92.32 67 A 1 ATOM 549 C CA . SER A 1 67 ? -8.646 4.343 -8.797 1.00 92.61 67 A 1 ATOM 550 C C . SER A 1 67 ? -9.480 3.741 -7.663 1.00 93.31 67 A 1 ATOM 551 O O . SER A 1 67 ? -10.684 3.972 -7.604 1.00 92.48 67 A 1 ATOM 552 C CB . SER A 1 67 ? -8.869 3.539 -10.085 1.00 92.53 67 A 1 ATOM 553 O OG . SER A 1 67 ? -8.336 2.232 -9.972 1.00 87.62 67 A 1 ATOM 554 N N . LYS A 1 68 ? -8.848 2.954 -6.773 1.00 93.79 68 A 1 ATOM 555 C CA . LYS A 1 68 ? -9.508 2.245 -5.669 1.00 94.00 68 A 1 ATOM 556 C C . LYS A 1 68 ? -8.548 2.072 -4.494 1.00 94.64 68 A 1 ATOM 557 O O . LYS A 1 68 ? -7.357 1.873 -4.689 1.00 94.12 68 A 1 ATOM 558 C CB . LYS A 1 68 ? -9.980 0.890 -6.211 1.00 93.25 68 A 1 ATOM 559 C CG . LYS A 1 68 ? -10.791 0.051 -5.211 1.00 84.24 68 A 1 ATOM 560 C CD . LYS A 1 68 ? -11.148 -1.258 -5.905 1.00 83.55 68 A 1 ATOM 561 C CE . LYS A 1 68 ? -11.738 -2.319 -4.959 1.00 77.03 68 A 1 ATOM 562 N NZ . LYS A 1 68 ? -11.660 -3.629 -5.647 1.00 69.72 68 A 1 ATOM 563 N N . GLY A 1 69 ? -9.088 2.122 -3.271 1.00 93.07 69 A 1 ATOM 564 C CA . GLY A 1 69 ? -8.339 1.874 -2.035 1.00 92.60 69 A 1 ATOM 565 C C . GLY A 1 69 ? -7.560 3.083 -1.508 1.00 92.38 69 A 1 ATOM 566 O O . GLY A 1 69 ? -6.615 2.922 -0.737 1.00 90.77 69 A 1 ATOM 567 N N . LEU A 1 70 ? -7.942 4.305 -1.912 1.00 90.18 70 A 1 ATOM 568 C CA . LEU A 1 70 ? -7.319 5.526 -1.403 1.00 88.81 70 A 1 ATOM 569 C C . LEU A 1 70 ? -7.516 5.683 0.114 1.00 88.45 70 A 1 ATOM 570 O O . LEU A 1 70 ? -6.629 6.157 0.812 1.00 87.27 70 A 1 ATOM 571 C CB . LEU A 1 70 ? -7.888 6.730 -2.176 1.00 87.49 70 A 1 ATOM 572 C CG . LEU A 1 70 ? -7.188 8.061 -1.861 1.00 79.86 70 A 1 ATOM 573 C CD1 . LEU A 1 70 ? -5.727 8.076 -2.321 1.00 77.32 70 A 1 ATOM 574 C CD2 . LEU A 1 70 ? -7.915 9.206 -2.572 1.00 76.73 70 A 1 ATOM 575 N N . GLU A 1 71 ? -8.642 5.212 0.638 1.00 88.04 71 A 1 ATOM 576 C CA . GLU A 1 71 ? -8.969 5.167 2.060 1.00 87.86 71 A 1 ATOM 577 C C . GLU A 1 71 ? -7.996 4.297 2.865 1.00 88.08 71 A 1 ATOM 578 O O . GLU A 1 71 ? -7.682 4.618 4.010 1.00 87.12 71 A 1 ATOM 579 C CB . GLU A 1 71 ? -10.428 4.696 2.244 1.00 87.51 71 A 1 ATOM 580 C CG . GLU A 1 71 ? -10.778 3.241 1.858 1.00 81.27 71 A 1 ATOM 581 C CD . GLU A 1 71 ? -10.873 2.933 0.354 1.00 76.19 71 A 1 ATOM 582 O OE1 . GLU A 1 71 ? -11.100 1.748 0.021 1.00 67.82 71 A 1 ATOM 583 O OE2 . GLU A 1 71 ? -10.663 3.848 -0.471 1.00 69.68 71 A 1 ATOM 584 N N . ILE A 1 72 ? -7.462 3.240 2.257 1.00 89.88 72 A 1 ATOM 585 C CA . ILE A 1 72 ? -6.451 2.368 2.876 1.00 89.98 72 A 1 ATOM 586 C C . ILE A 1 72 ? -5.144 3.146 3.033 1.00 89.19 72 A 1 ATOM 587 O O . ILE A 1 72 ? -4.545 3.139 4.107 1.00 87.48 72 A 1 ATOM 588 C CB . ILE A 1 72 ? -6.262 1.075 2.052 1.00 90.74 72 A 1 ATOM 589 C CG1 . ILE A 1 72 ? -7.594 0.288 1.978 1.00 90.27 72 A 1 ATOM 590 C CG2 . ILE A 1 72 ? -5.141 0.203 2.658 1.00 90.03 72 A 1 ATOM 591 C CD1 . ILE A 1 72 ? -7.590 -0.847 0.957 1.00 85.25 72 A 1 ATOM 592 N N . LEU A 1 73 ? -4.742 3.889 2.007 1.00 88.03 73 A 1 ATOM 593 C CA . LEU A 1 73 ? -3.565 4.762 2.080 1.00 86.36 73 A 1 ATOM 594 C C . LEU A 1 73 ? -3.729 5.823 3.169 1.00 84.73 73 A 1 ATOM 595 O O . LEU A 1 73 ? -2.817 6.014 3.970 1.00 82.53 73 A 1 ATOM 596 C CB . LEU A 1 73 ? -3.296 5.421 0.723 1.00 85.85 73 A 1 ATOM 597 C CG . LEU A 1 73 ? -2.959 4.449 -0.424 1.00 83.59 73 A 1 ATOM 598 C CD1 . LEU A 1 73 ? -2.718 5.242 -1.704 1.00 81.33 73 A 1 ATOM 599 C CD2 . LEU A 1 73 ? -1.710 3.616 -0.133 1.00 81.49 73 A 1 ATOM 600 N N . HIS A 1 74 ? -4.898 6.470 3.260 1.00 85.84 74 A 1 ATOM 601 C CA . HIS A 1 74 ? -5.178 7.440 4.317 1.00 84.12 74 A 1 ATOM 602 C C . HIS A 1 74 ? -5.068 6.818 5.714 1.00 83.24 74 A 1 ATOM 603 O O . HIS A 1 74 ? -4.378 7.368 6.568 1.00 81.36 74 A 1 ATOM 604 C CB . HIS A 1 74 ? -6.567 8.059 4.120 1.00 83.08 74 A 1 ATOM 605 C CG . HIS A 1 74 ? -6.682 9.004 2.942 1.00 75.02 74 A 1 ATOM 606 N ND1 . HIS A 1 74 ? -7.871 9.513 2.450 1.00 66.97 74 A 1 ATOM 607 C CD2 . HIS A 1 74 ? -5.674 9.568 2.212 1.00 64.65 74 A 1 ATOM 608 C CE1 . HIS A 1 74 ? -7.577 10.358 1.461 1.00 62.79 74 A 1 ATOM 609 N NE2 . HIS A 1 74 ? -6.250 10.433 1.280 1.00 63.04 74 A 1 ATOM 610 N N . THR A 1 75 ? -5.661 5.635 5.916 1.00 86.42 75 A 1 ATOM 611 C CA . THR A 1 75 ? -5.566 4.903 7.192 1.00 85.69 75 A 1 ATOM 612 C C . THR A 1 75 ? -4.108 4.638 7.578 1.00 84.52 75 A 1 ATOM 613 O O . THR A 1 75 ? -3.715 4.854 8.727 1.00 81.24 75 A 1 ATOM 614 C CB . THR A 1 75 ? -6.339 3.576 7.110 1.00 84.63 75 A 1 ATOM 615 O OG1 . THR A 1 75 ? -7.680 3.831 6.779 1.00 80.09 75 A 1 ATOM 616 C CG2 . THR A 1 75 ? -6.343 2.822 8.436 1.00 78.86 75 A 1 ATOM 617 N N . CYS A 1 76 ? -3.270 4.246 6.619 1.00 84.42 76 A 1 ATOM 618 C CA . CYS A 1 76 ? -1.843 4.021 6.852 1.00 81.94 76 A 1 ATOM 619 C C . CYS A 1 76 ? -1.097 5.300 7.236 1.00 79.86 76 A 1 ATOM 620 O O . CYS A 1 76 ? -0.215 5.259 8.085 1.00 76.78 76 A 1 ATOM 621 C CB . CYS A 1 76 ? -1.228 3.395 5.602 1.00 81.64 76 A 1 ATOM 622 S SG . CYS A 1 76 ? -1.993 1.794 5.288 1.00 79.11 76 A 1 ATOM 623 N N . TYR A 1 77 ? -1.451 6.445 6.637 1.00 75.58 77 A 1 ATOM 624 C CA . TYR A 1 77 ? -0.867 7.728 7.007 1.00 72.71 77 A 1 ATOM 625 C C . TYR A 1 77 ? -1.306 8.178 8.401 1.00 70.96 77 A 1 ATOM 626 O O . TYR A 1 77 ? -0.447 8.593 9.178 1.00 66.10 77 A 1 ATOM 627 C CB . TYR A 1 77 ? -1.191 8.794 5.954 1.00 69.37 77 A 1 ATOM 628 C CG . TYR A 1 77 ? -0.254 8.757 4.751 1.00 65.66 77 A 1 ATOM 629 C CD1 . TYR A 1 77 ? 1.092 9.128 4.904 1.00 61.67 77 A 1 ATOM 630 C CD2 . TYR A 1 77 ? -0.729 8.342 3.492 1.00 60.82 77 A 1 ATOM 631 C CE1 . TYR A 1 77 ? 1.968 9.079 3.809 1.00 56.36 77 A 1 ATOM 632 C CE2 . TYR A 1 77 ? 0.148 8.284 2.392 1.00 56.25 77 A 1 ATOM 633 C CZ . TYR A 1 77 ? 1.499 8.646 2.548 1.00 54.62 77 A 1 ATOM 634 O OH . TYR A 1 77 ? 2.358 8.576 1.488 1.00 52.89 77 A 1 ATOM 635 N N . PHE A 1 78 ? -2.588 8.041 8.762 1.00 66.74 78 A 1 ATOM 636 C CA . PHE A 1 78 ? -3.057 8.377 10.109 1.00 63.84 78 A 1 ATOM 637 C C . PHE A 1 78 ? -2.376 7.531 11.189 1.00 61.35 78 A 1 ATOM 638 O O . PHE A 1 78 ? -1.964 8.073 12.212 1.00 57.13 78 A 1 ATOM 639 C CB . PHE A 1 78 ? -4.583 8.239 10.184 1.00 61.31 78 A 1 ATOM 640 C CG . PHE A 1 78 ? -5.328 9.420 9.583 1.00 57.19 78 A 1 ATOM 641 C CD1 . PHE A 1 78 ? -5.291 10.671 10.225 1.00 53.46 78 A 1 ATOM 642 C CD2 . PHE A 1 78 ? -6.047 9.271 8.385 1.00 52.82 78 A 1 ATOM 643 C CE1 . PHE A 1 78 ? -5.946 11.772 9.660 1.00 48.36 78 A 1 ATOM 644 C CE2 . PHE A 1 78 ? -6.704 10.376 7.825 1.00 47.89 78 A 1 ATOM 645 C CZ . PHE A 1 78 ? -6.653 11.628 8.454 1.00 47.13 78 A 1 ATOM 646 N N . GLY A 1 79 ? -2.157 6.241 10.937 1.00 59.51 79 A 1 ATOM 647 C CA . GLY A 1 79 ? -1.439 5.357 11.858 1.00 57.41 79 A 1 ATOM 648 C C . GLY A 1 79 ? 0.012 5.774 12.146 1.00 56.30 79 A 1 ATOM 649 O O . GLY A 1 79 ? 0.556 5.396 13.182 1.00 52.86 79 A 1 ATOM 650 N N . LYS A 1 80 ? 0.638 6.583 11.286 1.00 56.27 80 A 1 ATOM 651 C CA . LYS A 1 80 ? 1.990 7.116 11.528 1.00 56.87 80 A 1 ATOM 652 C C . LYS A 1 80 ? 2.021 8.259 12.554 1.00 54.02 80 A 1 ATOM 653 O O . LYS A 1 80 ? 3.078 8.503 13.129 1.00 50.68 80 A 1 ATOM 654 C CB . LYS A 1 80 ? 2.623 7.598 10.211 1.00 55.22 80 A 1 ATOM 655 C CG . LYS A 1 80 ? 2.945 6.461 9.240 1.00 52.61 80 A 1 ATOM 656 C CD . LYS A 1 80 ? 3.538 7.033 7.940 1.00 50.74 80 A 1 ATOM 657 C CE . LYS A 1 80 ? 3.861 5.923 6.952 1.00 49.52 80 A 1 ATOM 658 N NZ . LYS A 1 80 ? 4.399 6.482 5.696 1.00 44.19 80 A 1 ATOM 659 N N . TYR A 1 81 ? 0.899 8.954 12.758 1.00 46.26 81 A 1 ATOM 660 C CA . TYR A 1 81 ? 0.802 10.087 13.688 1.00 45.92 81 A 1 ATOM 661 C C . TYR A 1 81 ? 0.296 9.691 15.077 1.00 43.10 81 A 1 ATOM 662 O O . TYR A 1 81 ? 0.354 10.504 15.995 1.00 39.83 81 A 1 ATOM 663 C CB . TYR A 1 81 ? -0.069 11.188 13.073 1.00 43.35 81 A 1 ATOM 664 C CG . TYR A 1 81 ? 0.508 11.777 11.797 1.00 40.91 81 A 1 ATOM 665 C CD1 . TYR A 1 81 ? 1.569 12.696 11.862 1.00 38.79 81 A 1 ATOM 666 C CD2 . TYR A 1 81 ? -0.006 11.389 10.551 1.00 38.53 81 A 1 ATOM 667 C CE1 . TYR A 1 81 ? 2.117 13.229 10.680 1.00 36.80 81 A 1 ATOM 668 C CE2 . TYR A 1 81 ? 0.536 11.920 9.362 1.00 37.87 81 A 1 ATOM 669 C CZ . TYR A 1 81 ? 1.597 12.838 9.423 1.00 37.01 81 A 1 ATOM 670 O OH . TYR A 1 81 ? 2.126 13.350 8.277 1.00 37.09 81 A 1 ATOM 671 N N . VAL A 1 82 ? -0.176 8.447 15.243 1.00 41.65 82 A 1 ATOM 672 C CA . VAL A 1 82 ? -0.512 7.882 16.550 1.00 43.05 82 A 1 ATOM 673 C C . VAL A 1 82 ? 0.738 7.198 17.102 1.00 41.89 82 A 1 ATOM 674 O O . VAL A 1 82 ? 0.938 6.000 16.939 1.00 39.10 82 A 1 ATOM 675 C CB . VAL A 1 82 ? -1.742 6.948 16.470 1.00 41.34 82 A 1 ATOM 676 C CG1 . VAL A 1 82 ? -2.199 6.527 17.871 1.00 35.84 82 A 1 ATOM 677 C CG2 . VAL A 1 82 ? -2.934 7.636 15.787 1.00 39.60 82 A 1 ATOM 678 N N . LYS A 1 83 ? 1.624 7.993 17.671 1.00 37.10 83 A 1 ATOM 679 C CA . LYS A 1 83 ? 2.744 7.541 18.516 1.00 38.83 83 A 1 ATOM 680 C C . LYS A 1 83 ? 2.565 8.101 19.916 1.00 35.68 83 A 1 ATOM 681 O O . LYS A 1 83 ? 2.194 9.284 20.014 1.00 33.25 83 A 1 ATOM 682 C CB . LYS A 1 83 ? 4.104 7.974 17.962 1.00 38.68 83 A 1 ATOM 683 C CG . LYS A 1 83 ? 4.604 7.073 16.829 1.00 35.48 83 A 1 ATOM 684 C CD . LYS A 1 83 ? 6.051 7.434 16.503 1.00 33.57 83 A 1 ATOM 685 C CE . LYS A 1 83 ? 6.594 6.515 15.420 1.00 30.69 83 A 1 ATOM 686 N NZ . LYS A 1 83 ? 8.023 6.831 15.138 1.00 29.27 83 A 1 ATOM 687 O OXT . LYS A 1 83 ? 2.862 7.319 20.848 1.00 35.29 83 A 1 #