# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_37e40638cf94e65b # _entry.id 37e40638cf94e65b # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE N[C@@H](CS)C(O)=O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n GLU 3 1 n LYS 4 1 n ASP 5 1 n LEU 6 1 n GLY 7 1 n ILE 8 1 n THR 9 1 n GLU 10 1 n VAL 11 1 n ARG 12 1 n GLY 13 1 n ALA 14 1 n LYS 15 1 n ALA 16 1 n ASN 17 1 n ILE 18 1 n THR 19 1 n ASP 20 1 n LEU 21 1 n VAL 22 1 n VAL 23 1 n TYR 24 1 n GLY 25 1 n ASN 26 1 n GLY 27 1 n ASP 28 1 n THR 29 1 n PHE 30 1 n ALA 31 1 n LEU 32 1 n LEU 33 1 n CYS 34 1 n LYS 35 1 n ALA 36 1 n SER 37 1 n SER 38 1 n GLN 39 1 n GLU 40 1 n GLN 41 1 n GLY 42 1 n TRP 43 1 n MET 44 1 n LYS 45 1 n SER 46 1 n THR 47 1 n LYS 48 1 n VAL 49 1 n CYS 50 1 n ASN 51 1 n VAL 52 1 n TYR 53 1 n GLY 54 1 n GLY 55 1 n CYS 56 1 n ILE 57 1 n VAL 58 1 n GLN 59 1 n VAL 60 1 n THR 61 1 n THR 62 1 n GLN 63 1 n GLN 64 1 n ARG 65 1 n ASN 66 1 n PRO 67 1 n ASP 68 1 n GLY 69 1 n SER 70 1 n TYR 71 1 n ALA 72 1 n LEU 73 1 n ALA 74 1 n GLU 75 1 n ALA 76 1 n LEU 77 1 n THR 78 1 n PHE 79 1 n VAL 80 1 n PRO 81 1 n ASN 82 1 n ASN 83 1 n HIS 84 1 n ILE 85 1 n ASP 86 1 n THR 87 1 n SER 88 1 n GLY 89 1 n ASN 90 1 n THR 91 1 n ARG 92 1 n PHE 93 1 n ILE 94 1 n GLY 95 1 n LYS 96 1 n ILE 97 # _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 00:24:02)" _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 90.80 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;NON-COMMERCIAL USE ONLY, BY USING THIS FILE YOU AGREE TO THE TERMS OF USE FOUND AT alphafoldserver.com/output-terms. ; 1 license ? ;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ASP . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n TYR . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n THR . 29 A 29 A 30 1 n PHE . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n CYS . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n SER . 38 A 38 A 39 1 n GLN . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n GLN . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n TRP . 43 A 43 A 44 1 n MET . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n SER . 46 A 46 A 47 1 n THR . 47 A 47 A 48 1 n LYS . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n CYS . 50 A 50 A 51 1 n ASN . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n TYR . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n GLY . 55 A 55 A 56 1 n CYS . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n GLN . 59 A 59 A 60 1 n VAL . 60 A 60 A 61 1 n THR . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n GLN . 63 A 63 A 64 1 n GLN . 64 A 64 A 65 1 n ARG . 65 A 65 A 66 1 n ASN . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n GLY . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n LEU . 77 A 77 A 78 1 n THR . 78 A 78 A 79 1 n PHE . 79 A 79 A 80 1 n VAL . 80 A 80 A 81 1 n PRO . 81 A 81 A 82 1 n ASN . 82 A 82 A 83 1 n ASN . 83 A 83 A 84 1 n HIS . 84 A 84 A 85 1 n ILE . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n THR . 87 A 87 A 88 1 n SER . 88 A 88 A 89 1 n GLY . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n THR . 91 A 91 A 92 1 n ARG . 92 A 92 A 93 1 n PHE . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n GLY . 95 A 95 A 96 1 n LYS . 96 A 96 A 97 1 n ILE . 97 A 97 # _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 00:24:02)" # _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 ? -13.413 -15.737 10.250 1.00 69.64 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.291 -15.199 9.455 1.00 75.49 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.425 -14.374 10.396 1.00 78.15 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.009 -13.629 11.183 1.00 74.29 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.853 -14.364 8.293 1.00 70.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.940 -14.296 7.064 1.00 64.19 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.745 -13.422 5.689 1.00 58.62 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.461 -14.573 4.322 1.00 52.39 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.097 -14.537 10.418 1.00 77.24 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.236 -13.631 11.202 1.00 80.31 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.318 -12.231 10.601 1.00 81.78 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.385 -12.103 9.381 1.00 79.48 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -7.774 -14.119 11.247 1.00 77.81 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -7.541 -15.234 12.277 1.00 72.90 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -6.040 -15.600 12.356 1.00 71.14 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -5.757 -16.640 13.436 1.00 66.11 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -4.305 -16.993 13.513 1.00 58.71 2 A 1 ATOM 18 N N . GLU A 1 3 ? -9.315 -11.199 11.440 1.00 80.33 3 A 1 ATOM 19 C CA . GLU A 1 3 ? -9.243 -9.822 10.955 1.00 81.22 3 A 1 ATOM 20 C C . GLU A 1 3 ? -7.933 -9.591 10.200 1.00 82.63 3 A 1 ATOM 21 O O . GLU A 1 3 ? -6.893 -10.171 10.514 1.00 79.57 3 A 1 ATOM 22 C CB . GLU A 1 3 ? -9.420 -8.805 12.093 1.00 77.56 3 A 1 ATOM 23 C CG . GLU A 1 3 ? -10.845 -8.828 12.648 1.00 70.66 3 A 1 ATOM 24 C CD . GLU A 1 3 ? -11.160 -7.599 13.511 1.00 67.26 3 A 1 ATOM 25 O OE1 . GLU A 1 3 ? -12.337 -7.156 13.444 1.00 62.69 3 A 1 ATOM 26 O OE2 . GLU A 1 3 ? -10.229 -7.094 14.168 1.00 61.74 3 A 1 ATOM 27 N N . LYS A 1 4 ? -7.989 -8.766 9.155 1.00 81.70 4 A 1 ATOM 28 C CA . LYS A 1 4 ? -6.839 -8.413 8.334 1.00 83.37 4 A 1 ATOM 29 C C . LYS A 1 4 ? -5.831 -7.628 9.179 1.00 85.31 4 A 1 ATOM 30 O O . LYS A 1 4 ? -6.185 -6.603 9.753 1.00 83.79 4 A 1 ATOM 31 C CB . LYS A 1 4 ? -7.338 -7.608 7.120 1.00 80.91 4 A 1 ATOM 32 C CG . LYS A 1 4 ? -6.211 -7.128 6.207 1.00 75.77 4 A 1 ATOM 33 C CD . LYS A 1 4 ? -6.788 -6.323 5.040 1.00 74.94 4 A 1 ATOM 34 C CE . LYS A 1 4 ? -5.673 -5.732 4.178 1.00 69.73 4 A 1 ATOM 35 N NZ . LYS A 1 4 ? -6.228 -4.848 3.123 1.00 64.27 4 A 1 ATOM 36 N N . ASP A 1 5 ? -4.568 -8.063 9.185 1.00 84.68 5 A 1 ATOM 37 C CA . ASP A 1 5 ? -3.489 -7.281 9.799 1.00 86.33 5 A 1 ATOM 38 C C . ASP A 1 5 ? -3.187 -6.047 8.942 1.00 87.71 5 A 1 ATOM 39 O O . ASP A 1 5 ? -2.787 -6.143 7.779 1.00 85.96 5 A 1 ATOM 40 C CB . ASP A 1 5 ? -2.256 -8.169 10.032 1.00 84.18 5 A 1 ATOM 41 C CG . ASP A 1 5 ? -1.140 -7.448 10.796 1.00 81.94 5 A 1 ATOM 42 O OD1 . ASP A 1 5 ? -1.249 -6.220 11.025 1.00 78.83 5 A 1 ATOM 43 O OD2 . ASP A 1 5 ? -0.143 -8.125 11.109 1.00 78.23 5 A 1 ATOM 44 N N . LEU A 1 6 ? -3.407 -4.867 9.504 1.00 84.10 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -3.158 -3.580 8.866 1.00 86.01 6 A 1 ATOM 46 C C . LEU A 1 6 ? -1.732 -3.060 9.132 1.00 87.92 6 A 1 ATOM 47 O O . LEU A 1 6 ? -1.369 -2.031 8.581 1.00 86.42 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -4.241 -2.567 9.296 1.00 85.15 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -5.689 -2.969 8.955 1.00 85.62 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -6.650 -1.858 9.388 1.00 83.18 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -5.907 -3.222 7.457 1.00 83.52 6 A 1 ATOM 52 N N . GLY A 1 7 ? -0.909 -3.757 9.927 1.00 88.11 7 A 1 ATOM 53 C CA . GLY A 1 7 ? 0.473 -3.380 10.239 1.00 87.71 7 A 1 ATOM 54 C C . GLY A 1 7 ? 1.496 -3.775 9.168 1.00 89.41 7 A 1 ATOM 55 O O . GLY A 1 7 ? 2.592 -3.213 9.127 1.00 87.83 7 A 1 ATOM 56 N N . ILE A 1 8 ? 1.154 -4.689 8.255 1.00 85.57 8 A 1 ATOM 57 C CA . ILE A 1 8 ? 2.066 -5.218 7.232 1.00 87.49 8 A 1 ATOM 58 C C . ILE A 1 8 ? 2.472 -4.121 6.237 1.00 87.92 8 A 1 ATOM 59 O O . ILE A 1 8 ? 1.615 -3.443 5.661 1.00 87.49 8 A 1 ATOM 60 C CB . ILE A 1 8 ? 1.417 -6.424 6.523 1.00 86.92 8 A 1 ATOM 61 C CG1 . ILE A 1 8 ? 1.134 -7.565 7.538 1.00 86.27 8 A 1 ATOM 62 C CG2 . ILE A 1 8 ? 2.318 -6.915 5.389 1.00 85.38 8 A 1 ATOM 63 C CD1 . ILE A 1 8 ? 0.283 -8.711 6.971 1.00 83.01 8 A 1 ATOM 64 N N . THR A 1 9 ? 3.787 -3.967 6.001 1.00 88.06 9 A 1 ATOM 65 C CA . THR A 1 9 ? 4.370 -2.946 5.115 1.00 87.85 9 A 1 ATOM 66 C C . THR A 1 9 ? 5.115 -3.504 3.901 1.00 87.87 9 A 1 ATOM 67 O O . THR A 1 9 ? 5.276 -2.789 2.920 1.00 86.09 9 A 1 ATOM 68 C CB . THR A 1 9 ? 5.328 -2.034 5.900 1.00 87.33 9 A 1 ATOM 69 O OG1 . THR A 1 9 ? 6.314 -2.799 6.560 1.00 85.62 9 A 1 ATOM 70 C CG2 . THR A 1 9 ? 4.600 -1.222 6.977 1.00 83.94 9 A 1 ATOM 71 N N . GLU A 1 10 ? 5.566 -4.770 3.948 1.00 87.41 10 A 1 ATOM 72 C CA . GLU A 1 10 ? 6.404 -5.408 2.929 1.00 88.21 10 A 1 ATOM 73 C C . GLU A 1 10 ? 6.040 -6.901 2.797 1.00 88.68 10 A 1 ATOM 74 O O . GLU A 1 10 ? 5.514 -7.507 3.728 1.00 88.30 10 A 1 ATOM 75 C CB . GLU A 1 10 ? 7.895 -5.285 3.302 1.00 85.86 10 A 1 ATOM 76 C CG . GLU A 1 10 ? 8.395 -3.826 3.334 1.00 77.94 10 A 1 ATOM 77 C CD . GLU A 1 10 ? 9.855 -3.681 3.790 1.00 73.59 10 A 1 ATOM 78 O OE1 . GLU A 1 10 ? 10.294 -2.504 3.879 1.00 65.74 10 A 1 ATOM 79 O OE2 . GLU A 1 10 ? 10.490 -4.698 4.119 1.00 66.40 10 A 1 ATOM 80 N N . VAL A 1 11 ? 6.401 -7.521 1.658 1.00 87.72 11 A 1 ATOM 81 C CA . VAL A 1 11 ? 6.122 -8.940 1.371 1.00 88.84 11 A 1 ATOM 82 C C . VAL A 1 11 ? 6.696 -9.876 2.433 1.00 88.73 11 A 1 ATOM 83 O O . VAL A 1 11 ? 6.031 -10.846 2.817 1.00 89.72 11 A 1 ATOM 84 C CB . VAL A 1 11 ? 6.667 -9.327 -0.015 1.00 89.03 11 A 1 ATOM 85 C CG1 . VAL A 1 11 ? 6.725 -10.839 -0.275 1.00 85.41 11 A 1 ATOM 86 C CG2 . VAL A 1 11 ? 5.755 -8.717 -1.082 1.00 86.62 11 A 1 ATOM 87 N N . ARG A 1 12 ? 7.904 -9.615 2.944 1.00 90.38 12 A 1 ATOM 88 C CA . ARG A 1 12 ? 8.494 -10.433 4.012 1.00 89.43 12 A 1 ATOM 89 C C . ARG A 1 12 ? 7.633 -10.431 5.272 1.00 90.46 12 A 1 ATOM 90 O O . ARG A 1 12 ? 7.402 -11.494 5.851 1.00 90.34 12 A 1 ATOM 91 C CB . ARG A 1 12 ? 9.926 -9.935 4.294 1.00 88.99 12 A 1 ATOM 92 C CG . ARG A 1 12 ? 10.631 -10.813 5.346 1.00 83.82 12 A 1 ATOM 93 C CD . ARG A 1 12 ? 12.086 -10.364 5.574 1.00 76.85 12 A 1 ATOM 94 N NE . ARG A 1 12 ? 12.159 -8.988 6.095 1.00 68.28 12 A 1 ATOM 95 C CZ . ARG A 1 12 ? 13.258 -8.321 6.404 1.00 59.99 12 A 1 ATOM 96 N NH1 . ARG A 1 12 ? 14.442 -8.860 6.314 1.00 54.21 12 A 1 ATOM 97 N NH2 . ARG A 1 12 ? 13.172 -7.084 6.796 1.00 52.68 12 A 1 ATOM 98 N N . GLY A 1 13 ? 7.121 -9.266 5.668 1.00 88.42 13 A 1 ATOM 99 C CA . GLY A 1 13 ? 6.180 -9.146 6.787 1.00 87.68 13 A 1 ATOM 100 C C . GLY A 1 13 ? 4.847 -9.831 6.495 1.00 89.86 13 A 1 ATOM 101 O O . GLY A 1 13 ? 4.292 -10.505 7.363 1.00 89.62 13 A 1 ATOM 102 N N . ALA A 1 14 ? 4.366 -9.750 5.248 1.00 89.59 14 A 1 ATOM 103 C CA . ALA A 1 14 ? 3.145 -10.430 4.832 1.00 89.00 14 A 1 ATOM 104 C C . ALA A 1 14 ? 3.275 -11.954 4.927 1.00 89.56 14 A 1 ATOM 105 O O . ALA A 1 14 ? 2.414 -12.599 5.520 1.00 91.04 14 A 1 ATOM 106 C CB . ALA A 1 14 ? 2.768 -9.961 3.422 1.00 89.61 14 A 1 ATOM 107 N N . LYS A 1 15 ? 4.392 -12.548 4.428 1.00 90.31 15 A 1 ATOM 108 C CA . LYS A 1 15 ? 4.659 -13.993 4.501 1.00 89.73 15 A 1 ATOM 109 C C . LYS A 1 15 ? 4.758 -14.517 5.938 1.00 90.16 15 A 1 ATOM 110 O O . LYS A 1 15 ? 4.399 -15.657 6.179 1.00 90.86 15 A 1 ATOM 111 C CB . LYS A 1 15 ? 5.953 -14.333 3.740 1.00 90.48 15 A 1 ATOM 112 C CG . LYS A 1 15 ? 5.747 -14.289 2.226 1.00 86.97 15 A 1 ATOM 113 C CD . LYS A 1 15 ? 7.040 -14.676 1.486 1.00 83.19 15 A 1 ATOM 114 C CE . LYS A 1 15 ? 6.772 -14.700 -0.025 1.00 80.53 15 A 1 ATOM 115 N NZ . LYS A 1 15 ? 7.962 -15.123 -0.800 1.00 70.90 15 A 1 ATOM 116 N N . ALA A 1 16 ? 5.235 -13.690 6.867 1.00 91.80 16 A 1 ATOM 117 C CA . ALA A 1 16 ? 5.317 -14.077 8.271 1.00 90.67 16 A 1 ATOM 118 C C . ALA A 1 16 ? 3.941 -14.137 8.969 1.00 90.74 16 A 1 ATOM 119 O O . ALA A 1 16 ? 3.788 -14.857 9.949 1.00 89.01 16 A 1 ATOM 120 C CB . ALA A 1 16 ? 6.262 -13.100 8.988 1.00 90.91 16 A 1 ATOM 121 N N . ASN A 1 17 ? 2.957 -13.399 8.467 1.00 92.12 17 A 1 ATOM 122 C CA . ASN A 1 17 ? 1.654 -13.228 9.118 1.00 90.39 17 A 1 ATOM 123 C C . ASN A 1 17 ? 0.484 -13.884 8.359 1.00 90.55 17 A 1 ATOM 124 O O . ASN A 1 17 ? -0.585 -14.112 8.935 1.00 89.13 17 A 1 ATOM 125 C CB . ASN A 1 17 ? 1.422 -11.727 9.348 1.00 89.14 17 A 1 ATOM 126 C CG . ASN A 1 17 ? 2.358 -11.159 10.399 1.00 83.59 17 A 1 ATOM 127 O OD1 . ASN A 1 17 ? 2.179 -11.346 11.584 1.00 76.55 17 A 1 ATOM 128 N ND2 . ASN A 1 17 ? 3.403 -10.457 10.008 1.00 75.63 17 A 1 ATOM 129 N N . ILE A 1 18 ? 0.675 -14.207 7.068 1.00 89.47 18 A 1 ATOM 130 C CA . ILE A 1 18 ? -0.350 -14.786 6.189 1.00 90.31 18 A 1 ATOM 131 C C . ILE A 1 18 ? 0.162 -16.128 5.678 1.00 90.43 18 A 1 ATOM 132 O O . ILE A 1 18 ? 1.014 -16.195 4.791 1.00 90.68 18 A 1 ATOM 133 C CB . ILE A 1 18 ? -0.704 -13.813 5.033 1.00 90.99 18 A 1 ATOM 134 C CG1 . ILE A 1 18 ? -1.066 -12.405 5.547 1.00 90.86 18 A 1 ATOM 135 C CG2 . ILE A 1 18 ? -1.872 -14.413 4.219 1.00 90.00 18 A 1 ATOM 136 C CD1 . ILE A 1 18 ? -1.287 -11.366 4.427 1.00 87.94 18 A 1 ATOM 137 N N . THR A 1 19 ? -0.333 -17.224 6.253 1.00 91.61 19 A 1 ATOM 138 C CA . THR A 1 19 ? 0.189 -18.587 6.055 1.00 90.85 19 A 1 ATOM 139 C C . THR A 1 19 ? -0.027 -19.151 4.658 1.00 91.48 19 A 1 ATOM 140 O O . THR A 1 19 ? 0.734 -20.010 4.230 1.00 90.36 19 A 1 ATOM 141 C CB . THR A 1 19 ? -0.435 -19.556 7.072 1.00 90.26 19 A 1 ATOM 142 O OG1 . THR A 1 19 ? -1.849 -19.445 7.077 1.00 85.45 19 A 1 ATOM 143 C CG2 . THR A 1 19 ? 0.036 -19.259 8.498 1.00 82.64 19 A 1 ATOM 144 N N . ASP A 1 20 ? -1.028 -18.679 3.929 1.00 93.63 20 A 1 ATOM 145 C CA . ASP A 1 20 ? -1.408 -19.112 2.587 1.00 93.44 20 A 1 ATOM 146 C C . ASP A 1 20 ? -1.022 -18.094 1.494 1.00 94.45 20 A 1 ATOM 147 O O . ASP A 1 20 ? -1.424 -18.223 0.339 1.00 93.90 20 A 1 ATOM 148 C CB . ASP A 1 20 ? -2.915 -19.436 2.576 1.00 92.26 20 A 1 ATOM 149 C CG . ASP A 1 20 ? -3.821 -18.230 2.865 1.00 90.85 20 A 1 ATOM 150 O OD1 . ASP A 1 20 ? -3.365 -17.291 3.570 1.00 88.76 20 A 1 ATOM 151 O OD2 . ASP A 1 20 ? -4.997 -18.277 2.443 1.00 88.44 20 A 1 ATOM 152 N N . LEU A 1 21 ? -0.205 -17.084 1.826 1.00 91.17 21 A 1 ATOM 153 C CA . LEU A 1 21 ? 0.218 -16.057 0.874 1.00 91.90 21 A 1 ATOM 154 C C . LEU A 1 21 ? 1.143 -16.632 -0.212 1.00 92.47 21 A 1 ATOM 155 O O . LEU A 1 21 ? 2.278 -17.026 0.048 1.00 92.68 21 A 1 ATOM 156 C CB . LEU A 1 21 ? 0.892 -14.897 1.622 1.00 91.86 21 A 1 ATOM 157 C CG . LEU A 1 21 ? 1.320 -13.736 0.688 1.00 91.40 21 A 1 ATOM 158 C CD1 . LEU A 1 21 ? 0.128 -13.030 0.063 1.00 88.60 21 A 1 ATOM 159 C CD2 . LEU A 1 21 ? 2.133 -12.711 1.471 1.00 88.72 21 A 1 ATOM 160 N N . VAL A 1 22 ? 0.690 -16.560 -1.462 1.00 93.45 22 A 1 ATOM 161 C CA . VAL A 1 22 ? 1.490 -16.855 -2.655 1.00 93.56 22 A 1 ATOM 162 C C . VAL A 1 22 ? 1.865 -15.541 -3.350 1.00 93.52 22 A 1 ATOM 163 O O . VAL A 1 22 ? 1.011 -14.686 -3.578 1.00 93.89 22 A 1 ATOM 164 C CB . VAL A 1 22 ? 0.743 -17.812 -3.610 1.00 93.83 22 A 1 ATOM 165 C CG1 . VAL A 1 22 ? 1.613 -18.171 -4.819 1.00 90.57 22 A 1 ATOM 166 C CG2 . VAL A 1 22 ? 0.378 -19.120 -2.892 1.00 90.27 22 A 1 ATOM 167 N N . VAL A 1 23 ? 3.148 -15.377 -3.677 1.00 93.60 23 A 1 ATOM 168 C CA . VAL A 1 23 ? 3.677 -14.180 -4.361 1.00 93.73 23 A 1 ATOM 169 C C . VAL A 1 23 ? 4.407 -14.608 -5.616 1.00 94.00 23 A 1 ATOM 170 O O . VAL A 1 23 ? 5.296 -15.467 -5.556 1.00 93.98 23 A 1 ATOM 171 C CB . VAL A 1 23 ? 4.602 -13.354 -3.445 1.00 92.76 23 A 1 ATOM 172 C CG1 . VAL A 1 23 ? 5.108 -12.083 -4.142 1.00 89.95 23 A 1 ATOM 173 C CG2 . VAL A 1 23 ? 3.879 -12.917 -2.164 1.00 89.35 23 A 1 ATOM 174 N N . TYR A 1 24 ? 4.077 -14.005 -6.761 1.00 95.48 24 A 1 ATOM 175 C CA . TYR A 1 24 ? 4.787 -14.138 -8.023 1.00 95.39 24 A 1 ATOM 176 C C . TYR A 1 24 ? 5.477 -12.815 -8.371 1.00 94.81 24 A 1 ATOM 177 O O . TYR A 1 24 ? 4.880 -11.745 -8.256 1.00 93.45 24 A 1 ATOM 178 C CB . TYR A 1 24 ? 3.807 -14.567 -9.121 1.00 95.20 24 A 1 ATOM 179 C CG . TYR A 1 24 ? 4.465 -14.669 -10.491 1.00 93.83 24 A 1 ATOM 180 C CD1 . TYR A 1 24 ? 4.356 -13.601 -11.404 1.00 89.59 24 A 1 ATOM 181 C CD2 . TYR A 1 24 ? 5.211 -15.813 -10.823 1.00 90.46 24 A 1 ATOM 182 C CE1 . TYR A 1 24 ? 4.997 -13.676 -12.660 1.00 87.66 24 A 1 ATOM 183 C CE2 . TYR A 1 24 ? 5.859 -15.891 -12.076 1.00 88.72 24 A 1 ATOM 184 C CZ . TYR A 1 24 ? 5.746 -14.830 -12.992 1.00 89.48 24 A 1 ATOM 185 O OH . TYR A 1 24 ? 6.367 -14.900 -14.208 1.00 88.05 24 A 1 ATOM 186 N N . GLY A 1 25 ? 6.738 -12.885 -8.797 1.00 95.91 25 A 1 ATOM 187 C CA . GLY A 1 25 ? 7.548 -11.708 -9.090 1.00 95.56 25 A 1 ATOM 188 C C . GLY A 1 25 ? 7.958 -10.919 -7.836 1.00 95.60 25 A 1 ATOM 189 O O . GLY A 1 25 ? 7.932 -11.436 -6.714 1.00 94.85 25 A 1 ATOM 190 N N . ASN A 1 26 ? 8.365 -9.661 -8.043 1.00 95.72 26 A 1 ATOM 191 C CA . ASN A 1 26 ? 8.718 -8.770 -6.944 1.00 95.24 26 A 1 ATOM 192 C C . ASN A 1 26 ? 7.453 -8.092 -6.384 1.00 94.85 26 A 1 ATOM 193 O O . ASN A 1 26 ? 6.979 -7.095 -6.933 1.00 93.61 26 A 1 ATOM 194 C CB . ASN A 1 26 ? 9.774 -7.757 -7.416 1.00 94.40 26 A 1 ATOM 195 C CG . ASN A 1 26 ? 10.178 -6.804 -6.305 1.00 93.17 26 A 1 ATOM 196 O OD1 . ASN A 1 26 ? 9.797 -6.954 -5.154 1.00 89.82 26 A 1 ATOM 197 N ND2 . ASN A 1 26 ? 10.955 -5.784 -6.600 1.00 88.02 26 A 1 ATOM 198 N N . GLY A 1 27 ? 6.938 -8.610 -5.279 1.00 93.55 27 A 1 ATOM 199 C CA . GLY A 1 27 ? 5.759 -8.046 -4.619 1.00 92.60 27 A 1 ATOM 200 C C . GLY A 1 27 ? 5.984 -6.686 -3.944 1.00 93.24 27 A 1 ATOM 201 O O . GLY A 1 27 ? 5.013 -6.018 -3.611 1.00 91.41 27 A 1 ATOM 202 N N . ASP A 1 28 ? 7.249 -6.257 -3.799 1.00 93.44 28 A 1 ATOM 203 C CA . ASP A 1 28 ? 7.623 -4.943 -3.266 1.00 93.15 28 A 1 ATOM 204 C C . ASP A 1 28 ? 7.952 -3.926 -4.387 1.00 94.03 28 A 1 ATOM 205 O O . ASP A 1 28 ? 8.548 -2.881 -4.127 1.00 93.04 28 A 1 ATOM 206 C CB . ASP A 1 28 ? 8.766 -5.094 -2.236 1.00 91.81 28 A 1 ATOM 207 C CG . ASP A 1 28 ? 8.371 -5.944 -1.018 1.00 90.16 28 A 1 ATOM 208 O OD1 . ASP A 1 28 ? 7.284 -5.704 -0.442 1.00 87.76 28 A 1 ATOM 209 O OD2 . ASP A 1 28 ? 9.150 -6.851 -0.635 1.00 86.88 28 A 1 ATOM 210 N N . THR A 1 29 ? 7.545 -4.199 -5.640 1.00 94.96 29 A 1 ATOM 211 C CA . THR A 1 29 ? 7.709 -3.262 -6.778 1.00 95.66 29 A 1 ATOM 212 C C . THR A 1 29 ? 7.139 -1.879 -6.470 1.00 96.20 29 A 1 ATOM 213 O O . THR A 1 29 ? 7.737 -0.867 -6.804 1.00 95.65 29 A 1 ATOM 214 C CB . THR A 1 29 ? 7.027 -3.813 -8.049 1.00 95.42 29 A 1 ATOM 215 O OG1 . THR A 1 29 ? 7.636 -5.019 -8.436 1.00 92.14 29 A 1 ATOM 216 C CG2 . THR A 1 29 ? 7.152 -2.890 -9.253 1.00 91.28 29 A 1 ATOM 217 N N . PHE A 1 30 ? 5.999 -1.831 -5.789 1.00 96.20 30 A 1 ATOM 218 C CA . PHE A 1 30 ? 5.480 -0.615 -5.178 1.00 96.02 30 A 1 ATOM 219 C C . PHE A 1 30 ? 5.948 -0.532 -3.720 1.00 95.34 30 A 1 ATOM 220 O O . PHE A 1 30 ? 5.404 -1.214 -2.842 1.00 94.06 30 A 1 ATOM 221 C CB . PHE A 1 30 ? 3.955 -0.564 -5.273 1.00 95.89 30 A 1 ATOM 222 C CG . PHE A 1 30 ? 3.439 -0.042 -6.597 1.00 96.37 30 A 1 ATOM 223 C CD1 . PHE A 1 30 ? 3.072 1.314 -6.713 1.00 94.51 30 A 1 ATOM 224 C CD2 . PHE A 1 30 ? 3.309 -0.897 -7.710 1.00 94.94 30 A 1 ATOM 225 C CE1 . PHE A 1 30 ? 2.561 1.805 -7.925 1.00 93.54 30 A 1 ATOM 226 C CE2 . PHE A 1 30 ? 2.811 -0.405 -8.925 1.00 94.09 30 A 1 ATOM 227 C CZ . PHE A 1 30 ? 2.436 0.946 -9.033 1.00 95.53 30 A 1 ATOM 228 N N . ALA A 1 31 ? 6.931 0.324 -3.451 1.00 96.57 31 A 1 ATOM 229 C CA . ALA A 1 31 ? 7.417 0.581 -2.102 1.00 96.38 31 A 1 ATOM 230 C C . ALA A 1 31 ? 6.422 1.460 -1.332 1.00 96.75 31 A 1 ATOM 231 O O . ALA A 1 31 ? 5.896 2.445 -1.850 1.00 96.30 31 A 1 ATOM 232 C CB . ALA A 1 31 ? 8.809 1.220 -2.191 1.00 95.61 31 A 1 ATOM 233 N N . LEU A 1 32 ? 6.182 1.125 -0.069 1.00 95.80 32 A 1 ATOM 234 C CA . LEU A 1 32 ? 5.320 1.922 0.798 1.00 95.61 32 A 1 ATOM 235 C C . LEU A 1 32 ? 6.005 3.251 1.151 1.00 95.70 32 A 1 ATOM 236 O O . LEU A 1 32 ? 7.089 3.233 1.733 1.00 95.18 32 A 1 ATOM 237 C CB . LEU A 1 32 ? 4.979 1.088 2.051 1.00 95.03 32 A 1 ATOM 238 C CG . LEU A 1 32 ? 3.957 1.755 2.984 1.00 92.46 32 A 1 ATOM 239 C CD1 . LEU A 1 32 ? 2.550 1.751 2.370 1.00 90.68 32 A 1 ATOM 240 C CD2 . LEU A 1 32 ? 3.880 0.988 4.298 1.00 90.64 32 A 1 ATOM 241 N N . LEU A 1 33 ? 5.380 4.370 0.839 1.00 96.12 33 A 1 ATOM 242 C CA . LEU A 1 33 ? 5.832 5.704 1.245 1.00 96.25 33 A 1 ATOM 243 C C . LEU A 1 33 ? 5.314 6.045 2.640 1.00 95.91 33 A 1 ATOM 244 O O . LEU A 1 33 ? 6.095 6.348 3.538 1.00 95.23 33 A 1 ATOM 245 C CB . LEU A 1 33 ? 5.362 6.726 0.195 1.00 96.37 33 A 1 ATOM 246 C CG . LEU A 1 33 ? 5.725 8.190 0.535 1.00 95.93 33 A 1 ATOM 247 C CD1 . LEU A 1 33 ? 7.232 8.432 0.538 1.00 94.91 33 A 1 ATOM 248 C CD2 . LEU A 1 33 ? 5.086 9.126 -0.493 1.00 94.79 33 A 1 ATOM 249 N N . CYS A 1 34 ? 4.015 5.952 2.837 1.00 95.96 34 A 1 ATOM 250 C CA . CYS A 1 34 ? 3.379 6.183 4.128 1.00 95.78 34 A 1 ATOM 251 C C . CYS A 1 34 ? 2.072 5.394 4.252 1.00 96.07 34 A 1 ATOM 252 O O . CYS A 1 34 ? 1.451 5.014 3.258 1.00 95.94 34 A 1 ATOM 253 C CB . CYS A 1 34 ? 3.173 7.691 4.349 1.00 95.00 34 A 1 ATOM 254 S SG . CYS A 1 34 ? 2.038 8.399 3.110 1.00 93.75 34 A 1 ATOM 255 N N . LYS A 1 35 ? 1.662 5.141 5.500 1.00 95.68 35 A 1 ATOM 256 C CA . LYS A 1 35 ? 0.445 4.397 5.822 1.00 95.92 35 A 1 ATOM 257 C C . LYS A 1 35 ? -0.094 4.839 7.172 1.00 96.48 35 A 1 ATOM 258 O O . LYS A 1 35 ? 0.670 5.034 8.108 1.00 95.90 35 A 1 ATOM 259 C CB . LYS A 1 35 ? 0.779 2.901 5.808 1.00 94.55 35 A 1 ATOM 260 C CG . LYS A 1 35 ? -0.435 1.990 6.025 1.00 91.61 35 A 1 ATOM 261 C CD . LYS A 1 35 ? 0.043 0.535 5.931 1.00 90.78 35 A 1 ATOM 262 C CE . LYS A 1 35 ? -1.115 -0.446 6.068 1.00 84.76 35 A 1 ATOM 263 N NZ . LYS A 1 35 ? -0.605 -1.833 6.068 1.00 80.51 35 A 1 ATOM 264 N N . ALA A 1 36 ? -1.401 4.927 7.271 1.00 96.40 36 A 1 ATOM 265 C CA . ALA A 1 36 ? -2.116 5.074 8.521 1.00 96.41 36 A 1 ATOM 266 C C . ALA A 1 36 ? -3.300 4.100 8.538 1.00 96.57 36 A 1 ATOM 267 O O . ALA A 1 36 ? -3.913 3.847 7.502 1.00 96.18 36 A 1 ATOM 268 C CB . ALA A 1 36 ? -2.563 6.530 8.691 1.00 96.04 36 A 1 ATOM 269 N N . SER A 1 37 ? -3.608 3.534 9.701 1.00 96.53 37 A 1 ATOM 270 C CA . SER A 1 37 ? -4.717 2.599 9.858 1.00 96.11 37 A 1 ATOM 271 C C . SER A 1 37 ? -5.211 2.556 11.299 1.00 95.79 37 A 1 ATOM 272 O O . SER A 1 37 ? -4.438 2.797 12.222 1.00 95.13 37 A 1 ATOM 273 C CB . SER A 1 37 ? -4.300 1.189 9.421 1.00 95.21 37 A 1 ATOM 274 O OG . SER A 1 37 ? -3.185 0.723 10.155 1.00 93.32 37 A 1 ATOM 275 N N . SER A 1 38 ? -6.473 2.196 11.477 1.00 95.62 38 A 1 ATOM 276 C CA . SER A 1 38 ? -7.077 1.890 12.767 1.00 94.79 38 A 1 ATOM 277 C C . SER A 1 38 ? -7.843 0.573 12.647 1.00 93.60 38 A 1 ATOM 278 O O . SER A 1 38 ? -8.760 0.471 11.833 1.00 93.04 38 A 1 ATOM 279 C CB . SER A 1 38 ? -7.990 3.029 13.208 1.00 94.78 38 A 1 ATOM 280 O OG . SER A 1 38 ? -8.671 2.675 14.403 1.00 93.32 38 A 1 ATOM 281 N N . GLN A 1 39 ? -7.455 -0.435 13.438 1.00 94.17 39 A 1 ATOM 282 C CA . GLN A 1 39 ? -8.182 -1.705 13.520 1.00 92.29 39 A 1 ATOM 283 C C . GLN A 1 39 ? -9.552 -1.494 14.176 1.00 92.47 39 A 1 ATOM 284 O O . GLN A 1 39 ? -10.564 -1.979 13.658 1.00 91.44 39 A 1 ATOM 285 C CB . GLN A 1 39 ? -7.362 -2.739 14.318 1.00 90.24 39 A 1 ATOM 286 C CG . GLN A 1 39 ? -6.107 -3.245 13.599 1.00 81.81 39 A 1 ATOM 287 C CD . GLN A 1 39 ? -6.384 -4.150 12.392 1.00 78.36 39 A 1 ATOM 288 O OE1 . GLN A 1 39 ? -7.485 -4.308 11.913 1.00 72.30 39 A 1 ATOM 289 N NE2 . GLN A 1 39 ? -5.370 -4.765 11.836 1.00 68.82 39 A 1 ATOM 290 N N . GLU A 1 40 ? -9.592 -0.716 15.245 1.00 93.06 40 A 1 ATOM 291 C CA . GLU A 1 40 ? -10.819 -0.392 15.978 1.00 92.92 40 A 1 ATOM 292 C C . GLU A 1 40 ? -11.845 0.317 15.089 1.00 93.04 40 A 1 ATOM 293 O O . GLU A 1 40 ? -13.002 -0.085 15.013 1.00 92.30 40 A 1 ATOM 294 C CB . GLU A 1 40 ? -10.435 0.482 17.183 1.00 92.94 40 A 1 ATOM 295 C CG . GLU A 1 40 ? -11.626 0.801 18.098 1.00 86.89 40 A 1 ATOM 296 C CD . GLU A 1 40 ? -11.246 1.738 19.259 1.00 83.90 40 A 1 ATOM 297 O OE1 . GLU A 1 40 ? -12.152 2.020 20.076 1.00 76.98 40 A 1 ATOM 298 O OE2 . GLU A 1 40 ? -10.073 2.183 19.300 1.00 78.73 40 A 1 ATOM 299 N N . GLN A 1 41 ? -11.389 1.327 14.338 1.00 93.89 41 A 1 ATOM 300 C CA . GLN A 1 41 ? -12.257 2.085 13.430 1.00 94.07 41 A 1 ATOM 301 C C . GLN A 1 41 ? -12.411 1.430 12.045 1.00 93.86 41 A 1 ATOM 302 O O . GLN A 1 41 ? -13.162 1.926 11.208 1.00 93.05 41 A 1 ATOM 303 C CB . GLN A 1 41 ? -11.726 3.517 13.304 1.00 94.60 41 A 1 ATOM 304 C CG . GLN A 1 41 ? -11.707 4.266 14.636 1.00 94.12 41 A 1 ATOM 305 C CD . GLN A 1 41 ? -11.168 5.688 14.497 1.00 93.36 41 A 1 ATOM 306 O OE1 . GLN A 1 41 ? -10.739 6.135 13.439 1.00 90.74 41 A 1 ATOM 307 N NE2 . GLN A 1 41 ? -11.159 6.446 15.563 1.00 89.68 41 A 1 ATOM 308 N N . GLY A 1 42 ? -11.665 0.342 11.773 1.00 94.35 42 A 1 ATOM 309 C CA . GLY A 1 42 ? -11.774 -0.447 10.547 1.00 93.74 42 A 1 ATOM 310 C C . GLY A 1 42 ? -11.313 0.267 9.274 1.00 94.59 42 A 1 ATOM 311 O O . GLY A 1 42 ? -11.813 -0.043 8.192 1.00 93.80 42 A 1 ATOM 312 N N . TRP A 1 43 ? -10.348 1.205 9.342 1.00 95.31 43 A 1 ATOM 313 C CA . TRP A 1 43 ? -9.867 1.901 8.148 1.00 96.05 43 A 1 ATOM 314 C C . TRP A 1 43 ? -8.355 1.812 7.951 1.00 96.04 43 A 1 ATOM 315 O O . TRP A 1 43 ? -7.576 1.700 8.887 1.00 95.67 43 A 1 ATOM 316 C CB . TRP A 1 43 ? -10.379 3.353 8.109 1.00 96.39 43 A 1 ATOM 317 C CG . TRP A 1 43 ? -9.899 4.228 9.216 1.00 96.85 43 A 1 ATOM 318 C CD1 . TRP A 1 43 ? -10.604 4.517 10.331 1.00 95.96 43 A 1 ATOM 319 C CD2 . TRP A 1 43 ? -8.625 4.926 9.347 1.00 96.88 43 A 1 ATOM 320 N NE1 . TRP A 1 43 ? -9.852 5.339 11.144 1.00 95.81 43 A 1 ATOM 321 C CE2 . TRP A 1 43 ? -8.623 5.617 10.593 1.00 96.53 43 A 1 ATOM 322 C CE3 . TRP A 1 43 ? -7.472 5.039 8.542 1.00 96.51 43 A 1 ATOM 323 C CZ2 . TRP A 1 43 ? -7.511 6.369 11.036 1.00 96.26 43 A 1 ATOM 324 C CZ3 . TRP A 1 43 ? -6.358 5.794 8.977 1.00 96.11 43 A 1 ATOM 325 C CH2 . TRP A 1 43 ? -6.385 6.443 10.221 1.00 95.87 43 A 1 ATOM 326 N N . MET A 1 44 ? -7.941 1.903 6.670 1.00 95.72 44 A 1 ATOM 327 C CA . MET A 1 44 ? -6.549 1.989 6.255 1.00 96.37 44 A 1 ATOM 328 C C . MET A 1 44 ? -6.425 2.945 5.074 1.00 96.95 44 A 1 ATOM 329 O O . MET A 1 44 ? -7.222 2.896 4.140 1.00 96.53 44 A 1 ATOM 330 C CB . MET A 1 44 ? -6.025 0.579 5.939 1.00 95.33 44 A 1 ATOM 331 C CG . MET A 1 44 ? -4.554 0.526 5.488 1.00 92.16 44 A 1 ATOM 332 S SD . MET A 1 44 ? -4.197 0.924 3.754 1.00 89.38 44 A 1 ATOM 333 C CE . MET A 1 44 ? -4.989 -0.449 2.894 1.00 81.16 44 A 1 ATOM 334 N N . LYS A 1 45 ? -5.388 3.791 5.102 1.00 96.76 45 A 1 ATOM 335 C CA . LYS A 1 45 ? -4.962 4.635 3.994 1.00 97.03 45 A 1 ATOM 336 C C . LYS A 1 45 ? -3.474 4.418 3.755 1.00 97.19 45 A 1 ATOM 337 O O . LYS A 1 45 ? -2.703 4.384 4.712 1.00 96.65 45 A 1 ATOM 338 C CB . LYS A 1 45 ? -5.259 6.118 4.283 1.00 96.66 45 A 1 ATOM 339 C CG . LYS A 1 45 ? -6.767 6.399 4.446 1.00 93.04 45 A 1 ATOM 340 C CD . LYS A 1 45 ? -7.012 7.879 4.789 1.00 89.86 45 A 1 ATOM 341 C CE . LYS A 1 45 ? -8.492 8.171 5.047 1.00 85.99 45 A 1 ATOM 342 N NZ . LYS A 1 45 ? -9.311 8.152 3.812 1.00 77.32 45 A 1 ATOM 343 N N . SER A 1 46 ? -3.058 4.256 2.507 1.00 97.36 46 A 1 ATOM 344 C CA . SER A 1 46 ? -1.641 4.093 2.174 1.00 97.17 46 A 1 ATOM 345 C C . SER A 1 46 ? -1.282 4.813 0.888 1.00 97.65 46 A 1 ATOM 346 O O . SER A 1 46 ? -2.099 4.911 -0.026 1.00 97.43 46 A 1 ATOM 347 C CB . SER A 1 46 ? -1.247 2.611 2.091 1.00 95.94 46 A 1 ATOM 348 O OG . SER A 1 46 ? -1.907 1.947 1.032 1.00 92.59 46 A 1 ATOM 349 N N . THR A 1 47 ? -0.032 5.243 0.811 1.00 97.32 47 A 1 ATOM 350 C CA . THR A 1 47 ? 0.609 5.731 -0.413 1.00 97.52 47 A 1 ATOM 351 C C . THR A 1 47 ? 1.792 4.832 -0.715 1.00 97.15 47 A 1 ATOM 352 O O . THR A 1 47 ? 2.665 4.631 0.132 1.00 96.58 47 A 1 ATOM 353 C CB . THR A 1 47 ? 1.061 7.191 -0.275 1.00 97.56 47 A 1 ATOM 354 O OG1 . THR A 1 47 ? -0.024 7.992 0.144 1.00 96.06 47 A 1 ATOM 355 C CG2 . THR A 1 47 ? 1.568 7.757 -1.588 1.00 95.85 47 A 1 ATOM 356 N N . LYS A 1 48 ? 1.818 4.255 -1.927 1.00 97.55 48 A 1 ATOM 357 C CA . LYS A 1 48 ? 2.913 3.438 -2.451 1.00 97.67 48 A 1 ATOM 358 C C . LYS A 1 48 ? 3.468 4.091 -3.709 1.00 98.09 48 A 1 ATOM 359 O O . LYS A 1 48 ? 2.746 4.785 -4.417 1.00 98.02 48 A 1 ATOM 360 C CB . LYS A 1 48 ? 2.427 2.015 -2.740 1.00 96.96 48 A 1 ATOM 361 C CG . LYS A 1 48 ? 2.075 1.224 -1.468 1.00 94.28 48 A 1 ATOM 362 C CD . LYS A 1 48 ? 1.504 -0.168 -1.811 1.00 91.32 48 A 1 ATOM 363 C CE . LYS A 1 48 ? 0.094 -0.038 -2.402 1.00 84.65 48 A 1 ATOM 364 N NZ . LYS A 1 48 ? -0.366 -1.249 -3.089 1.00 77.51 48 A 1 ATOM 365 N N . VAL A 1 49 ? 4.748 3.844 -3.984 1.00 97.67 49 A 1 ATOM 366 C CA . VAL A 1 49 ? 5.455 4.454 -5.111 1.00 97.88 49 A 1 ATOM 367 C C . VAL A 1 49 ? 6.266 3.384 -5.834 1.00 97.51 49 A 1 ATOM 368 O O . VAL A 1 49 ? 6.971 2.601 -5.202 1.00 97.18 49 A 1 ATOM 369 C CB . VAL A 1 49 ? 6.343 5.621 -4.653 1.00 97.76 49 A 1 ATOM 370 C CG1 . VAL A 1 49 ? 6.942 6.354 -5.854 1.00 96.93 49 A 1 ATOM 371 C CG2 . VAL A 1 49 ? 5.572 6.643 -3.813 1.00 96.94 49 A 1 ATOM 372 N N . CYS A 1 50 ? 6.170 3.351 -7.161 1.00 98.00 50 A 1 ATOM 373 C CA . CYS A 1 50 ? 6.971 2.518 -8.042 1.00 98.01 50 A 1 ATOM 374 C C . CYS A 1 50 ? 7.852 3.420 -8.909 1.00 98.10 50 A 1 ATOM 375 O O . CYS A 1 50 ? 7.327 4.201 -9.706 1.00 97.90 50 A 1 ATOM 376 C CB . CYS A 1 50 ? 6.034 1.646 -8.883 1.00 97.66 50 A 1 ATOM 377 S SG . CYS A 1 50 ? 6.992 0.601 -10.015 1.00 96.20 50 A 1 ATOM 378 N N . ASN A 1 51 ? 9.181 3.307 -8.756 1.00 97.34 51 A 1 ATOM 379 C CA . ASN A 1 51 ? 10.119 4.014 -9.614 1.00 97.17 51 A 1 ATOM 380 C C . ASN A 1 51 ? 10.082 3.420 -11.026 1.00 97.32 51 A 1 ATOM 381 O O . ASN A 1 51 ? 10.147 2.208 -11.197 1.00 96.86 51 A 1 ATOM 382 C CB . ASN A 1 51 ? 11.530 3.972 -9.000 1.00 96.55 51 A 1 ATOM 383 C CG . ASN A 1 51 ? 11.657 4.815 -7.742 1.00 96.16 51 A 1 ATOM 384 O OD1 . ASN A 1 51 ? 10.784 5.597 -7.390 1.00 94.18 51 A 1 ATOM 385 N ND2 . ASN A 1 51 ? 12.748 4.699 -7.031 1.00 93.77 51 A 1 ATOM 386 N N . VAL A 1 52 ? 9.985 4.276 -12.037 1.00 97.57 52 A 1 ATOM 387 C CA . VAL A 1 52 ? 9.994 3.924 -13.456 1.00 97.52 52 A 1 ATOM 388 C C . VAL A 1 52 ? 10.920 4.879 -14.208 1.00 97.65 52 A 1 ATOM 389 O O . VAL A 1 52 ? 11.380 5.887 -13.659 1.00 97.52 52 A 1 ATOM 390 C CB . VAL A 1 52 ? 8.578 3.920 -14.065 1.00 97.61 52 A 1 ATOM 391 C CG1 . VAL A 1 52 ? 7.680 2.857 -13.409 1.00 97.30 52 A 1 ATOM 392 C CG2 . VAL A 1 52 ? 7.870 5.280 -13.972 1.00 96.89 52 A 1 ATOM 393 N N . TYR A 1 53 ? 11.212 4.575 -15.469 1.00 97.36 53 A 1 ATOM 394 C CA . TYR A 1 53 ? 12.011 5.472 -16.292 1.00 97.35 53 A 1 ATOM 395 C C . TYR A 1 53 ? 11.358 6.866 -16.378 1.00 97.53 53 A 1 ATOM 396 O O . TYR A 1 53 ? 10.175 6.987 -16.682 1.00 97.42 53 A 1 ATOM 397 C CB . TYR A 1 53 ? 12.219 4.856 -17.679 1.00 97.16 53 A 1 ATOM 398 C CG . TYR A 1 53 ? 13.074 5.719 -18.574 1.00 94.99 53 A 1 ATOM 399 C CD1 . TYR A 1 53 ? 12.471 6.592 -19.509 1.00 90.88 53 A 1 ATOM 400 C CD2 . TYR A 1 53 ? 14.482 5.694 -18.449 1.00 91.28 53 A 1 ATOM 401 C CE1 . TYR A 1 53 ? 13.271 7.426 -20.320 1.00 89.59 53 A 1 ATOM 402 C CE2 . TYR A 1 53 ? 15.278 6.527 -19.253 1.00 90.48 53 A 1 ATOM 403 C CZ . TYR A 1 53 ? 14.674 7.388 -20.188 1.00 90.87 53 A 1 ATOM 404 O OH . TYR A 1 53 ? 15.446 8.194 -20.974 1.00 88.63 53 A 1 ATOM 405 N N . GLY A 1 54 ? 12.146 7.911 -16.103 1.00 96.88 54 A 1 ATOM 406 C CA . GLY A 1 54 ? 11.698 9.301 -16.181 1.00 97.06 54 A 1 ATOM 407 C C . GLY A 1 54 ? 10.845 9.801 -15.007 1.00 97.77 54 A 1 ATOM 408 O O . GLY A 1 54 ? 10.380 10.940 -15.053 1.00 97.07 54 A 1 ATOM 409 N N . GLY A 1 55 ? 10.618 8.998 -13.974 1.00 97.71 55 A 1 ATOM 410 C CA . GLY A 1 55 ? 9.826 9.414 -12.815 1.00 97.76 55 A 1 ATOM 411 C C . GLY A 1 55 ? 9.347 8.262 -11.940 1.00 97.87 55 A 1 ATOM 412 O O . GLY A 1 55 ? 9.988 7.218 -11.842 1.00 97.47 55 A 1 ATOM 413 N N . CYS A 1 56 ? 8.207 8.434 -11.295 1.00 97.98 56 A 1 ATOM 414 C CA . CYS A 1 56 ? 7.578 7.381 -10.505 1.00 98.10 56 A 1 ATOM 415 C C . CYS A 1 56 ? 6.059 7.360 -10.683 1.00 98.31 56 A 1 ATOM 416 O O . CYS A 1 56 ? 5.424 8.362 -11.014 1.00 98.38 56 A 1 ATOM 417 C CB . CYS A 1 56 ? 8.004 7.504 -9.039 1.00 97.93 56 A 1 ATOM 418 S SG . CYS A 1 56 ? 7.395 9.019 -8.255 1.00 97.95 56 A 1 ATOM 419 N N . ILE A 1 57 ? 5.471 6.186 -10.432 1.00 98.41 57 A 1 ATOM 420 C CA . ILE A 1 57 ? 4.027 6.017 -10.309 1.00 98.46 57 A 1 ATOM 421 C C . ILE A 1 57 ? 3.679 6.037 -8.829 1.00 98.44 57 A 1 ATOM 422 O O . ILE A 1 57 ? 4.210 5.246 -8.052 1.00 98.34 57 A 1 ATOM 423 C CB . ILE A 1 57 ? 3.547 4.725 -11.010 1.00 98.38 57 A 1 ATOM 424 C CG1 . ILE A 1 57 ? 3.904 4.755 -12.516 1.00 97.51 57 A 1 ATOM 425 C CG2 . ILE A 1 57 ? 2.027 4.552 -10.823 1.00 97.79 57 A 1 ATOM 426 C CD1 . ILE A 1 57 ? 3.715 3.404 -13.220 1.00 93.91 57 A 1 ATOM 427 N N . VAL A 1 58 ? 2.782 6.929 -8.428 1.00 98.38 58 A 1 ATOM 428 C CA . VAL A 1 58 ? 2.249 7.023 -7.066 1.00 98.37 58 A 1 ATOM 429 C C . VAL A 1 58 ? 0.868 6.391 -7.042 1.00 98.40 58 A 1 ATOM 430 O O . VAL A 1 58 ? 0.009 6.759 -7.843 1.00 98.17 58 A 1 ATOM 431 C CB . VAL A 1 58 ? 2.214 8.481 -6.572 1.00 98.20 58 A 1 ATOM 432 C CG1 . VAL A 1 58 ? 1.727 8.558 -5.117 1.00 97.51 58 A 1 ATOM 433 C CG2 . VAL A 1 58 ? 3.604 9.124 -6.638 1.00 97.43 58 A 1 ATOM 434 N N . GLN A 1 59 ? 0.656 5.449 -6.137 1.00 98.40 59 A 1 ATOM 435 C CA . GLN A 1 59 ? -0.637 4.829 -5.851 1.00 98.26 59 A 1 ATOM 436 C C . GLN A 1 59 ? -1.116 5.263 -4.472 1.00 98.27 59 A 1 ATOM 437 O O . GLN A 1 59 ? -0.411 5.065 -3.484 1.00 97.93 59 A 1 ATOM 438 C CB . GLN A 1 59 ? -0.521 3.298 -5.944 1.00 97.51 59 A 1 ATOM 439 C CG . GLN A 1 59 ? -1.881 2.601 -5.740 1.00 93.86 59 A 1 ATOM 440 C CD . GLN A 1 59 ? -1.772 1.085 -5.560 1.00 91.88 59 A 1 ATOM 441 O OE1 . GLN A 1 59 ? -0.807 0.550 -5.034 1.00 84.57 59 A 1 ATOM 442 N NE2 . GLN A 1 59 ? -2.780 0.335 -5.934 1.00 81.54 59 A 1 ATOM 443 N N . VAL A 1 60 ? -2.336 5.768 -4.396 1.00 98.11 60 A 1 ATOM 444 C CA . VAL A 1 60 ? -3.034 6.004 -3.127 1.00 98.11 60 A 1 ATOM 445 C C . VAL A 1 60 ? -4.173 5.008 -2.985 1.00 98.03 60 A 1 ATOM 446 O O . VAL A 1 60 ? -4.916 4.765 -3.930 1.00 97.26 60 A 1 ATOM 447 C CB . VAL A 1 60 ? -3.512 7.458 -2.967 1.00 97.22 60 A 1 ATOM 448 C CG1 . VAL A 1 60 ? -2.306 8.406 -2.899 1.00 87.70 60 A 1 ATOM 449 C CG2 . VAL A 1 60 ? -4.435 7.933 -4.086 1.00 87.77 60 A 1 ATOM 450 N N . THR A 1 61 ? -4.305 4.427 -1.799 1.00 97.77 61 A 1 ATOM 451 C CA . THR A 1 61 ? -5.361 3.472 -1.467 1.00 97.13 61 A 1 ATOM 452 C C . THR A 1 61 ? -6.069 3.921 -0.202 1.00 97.28 61 A 1 ATOM 453 O O . THR A 1 61 ? -5.421 4.249 0.793 1.00 96.80 61 A 1 ATOM 454 C CB . THR A 1 61 ? -4.801 2.050 -1.265 1.00 95.59 61 A 1 ATOM 455 O OG1 . THR A 1 61 ? -4.066 1.618 -2.385 1.00 90.19 61 A 1 ATOM 456 C CG2 . THR A 1 61 ? -5.889 1.010 -0.993 1.00 89.92 61 A 1 ATOM 457 N N . THR A 1 62 ? -7.394 3.884 -0.211 1.00 97.34 62 A 1 ATOM 458 C CA . THR A 1 62 ? -8.217 3.953 0.996 1.00 97.05 62 A 1 ATOM 459 C C . THR A 1 62 ? -9.091 2.715 1.105 1.00 97.00 62 A 1 ATOM 460 O O . THR A 1 62 ? -9.671 2.261 0.119 1.00 95.97 62 A 1 ATOM 461 C CB . THR A 1 62 ? -9.017 5.269 1.070 1.00 95.50 62 A 1 ATOM 462 O OG1 . THR A 1 62 ? -9.605 5.415 2.342 1.00 81.44 62 A 1 ATOM 463 C CG2 . THR A 1 62 ? -10.133 5.402 0.045 1.00 82.01 62 A 1 ATOM 464 N N . GLN A 1 63 ? -9.155 2.146 2.298 1.00 97.30 63 A 1 ATOM 465 C CA . GLN A 1 63 ? -10.024 1.041 2.666 1.00 96.71 63 A 1 ATOM 466 C C . GLN A 1 63 ? -10.820 1.457 3.899 1.00 96.86 63 A 1 ATOM 467 O O . GLN A 1 63 ? -10.220 1.887 4.878 1.00 96.07 63 A 1 ATOM 468 C CB . GLN A 1 63 ? -9.155 -0.207 2.927 1.00 94.79 63 A 1 ATOM 469 C CG . GLN A 1 63 ? -9.995 -1.417 3.342 1.00 87.74 63 A 1 ATOM 470 C CD . GLN A 1 63 ? -9.160 -2.651 3.704 1.00 86.33 63 A 1 ATOM 471 O OE1 . GLN A 1 63 ? -8.172 -3.012 3.073 1.00 79.08 63 A 1 ATOM 472 N NE2 . GLN A 1 63 ? -9.534 -3.355 4.740 1.00 75.86 63 A 1 ATOM 473 N N . GLN A 1 64 ? -12.140 1.289 3.869 1.00 96.28 64 A 1 ATOM 474 C CA . GLN A 1 64 ? -13.040 1.553 4.988 1.00 96.11 64 A 1 ATOM 475 C C . GLN A 1 64 ? -13.932 0.343 5.227 1.00 95.77 64 A 1 ATOM 476 O O . GLN A 1 64 ? -14.596 -0.121 4.309 1.00 94.97 64 A 1 ATOM 477 C CB . GLN A 1 64 ? -13.871 2.813 4.673 1.00 95.32 64 A 1 ATOM 478 C CG . GLN A 1 64 ? -14.865 3.179 5.782 1.00 90.94 64 A 1 ATOM 479 C CD . GLN A 1 64 ? -14.167 3.535 7.095 1.00 90.24 64 A 1 ATOM 480 O OE1 . GLN A 1 64 ? -13.347 4.440 7.151 1.00 85.26 64 A 1 ATOM 481 N NE2 . GLN A 1 64 ? -14.444 2.827 8.171 1.00 82.00 64 A 1 ATOM 482 N N . ARG A 1 65 ? -13.946 -0.166 6.460 1.00 95.59 65 A 1 ATOM 483 C CA . ARG A 1 65 ? -14.916 -1.174 6.898 1.00 95.17 65 A 1 ATOM 484 C C . ARG A 1 65 ? -16.269 -0.504 7.102 1.00 95.66 65 A 1 ATOM 485 O O . ARG A 1 65 ? -16.367 0.512 7.789 1.00 95.45 65 A 1 ATOM 486 C CB . ARG A 1 65 ? -14.403 -1.865 8.173 1.00 93.98 65 A 1 ATOM 487 C CG . ARG A 1 65 ? -15.244 -3.098 8.549 1.00 92.04 65 A 1 ATOM 488 C CD . ARG A 1 65 ? -14.655 -3.737 9.805 1.00 89.74 65 A 1 ATOM 489 N NE . ARG A 1 65 ? -15.429 -4.905 10.267 1.00 83.19 65 A 1 ATOM 490 C CZ . ARG A 1 65 ? -15.150 -5.631 11.336 1.00 79.33 65 A 1 ATOM 491 N NH1 . ARG A 1 65 ? -14.126 -5.374 12.104 1.00 73.85 65 A 1 ATOM 492 N NH2 . ARG A 1 65 ? -15.897 -6.645 11.654 1.00 72.72 65 A 1 ATOM 493 N N . ASN A 1 66 ? -17.299 -1.093 6.503 1.00 95.96 66 A 1 ATOM 494 C CA . ASN A 1 66 ? -18.686 -0.692 6.666 1.00 95.86 66 A 1 ATOM 495 C C . ASN A 1 66 ? -19.284 -1.356 7.923 1.00 95.27 66 A 1 ATOM 496 O O . ASN A 1 66 ? -18.756 -2.355 8.407 1.00 94.54 66 A 1 ATOM 497 C CB . ASN A 1 66 ? -19.446 -1.078 5.395 1.00 96.12 66 A 1 ATOM 498 C CG . ASN A 1 66 ? -19.001 -0.319 4.163 1.00 96.10 66 A 1 ATOM 499 O OD1 . ASN A 1 66 ? -18.687 0.856 4.195 1.00 93.80 66 A 1 ATOM 500 N ND2 . ASN A 1 66 ? -18.986 -0.972 3.023 1.00 94.19 66 A 1 ATOM 501 N N . PRO A 1 67 ? -20.405 -0.848 8.440 1.00 95.54 67 A 1 ATOM 502 C CA . PRO A 1 67 ? -21.073 -1.431 9.606 1.00 94.53 67 A 1 ATOM 503 C C . PRO A 1 67 ? -21.485 -2.904 9.432 1.00 94.08 67 A 1 ATOM 504 O O . PRO A 1 67 ? -21.526 -3.648 10.403 1.00 92.23 67 A 1 ATOM 505 C CB . PRO A 1 67 ? -22.301 -0.544 9.846 1.00 94.07 67 A 1 ATOM 506 C CG . PRO A 1 67 ? -21.893 0.797 9.267 1.00 93.37 67 A 1 ATOM 507 C CD . PRO A 1 67 ? -21.053 0.397 8.059 1.00 95.03 67 A 1 ATOM 508 N N . ASP A 1 68 ? -21.758 -3.345 8.185 1.00 95.33 68 A 1 ATOM 509 C CA . ASP A 1 68 ? -22.101 -4.722 7.842 1.00 95.08 68 A 1 ATOM 510 C C . ASP A 1 68 ? -20.881 -5.661 7.744 1.00 94.26 68 A 1 ATOM 511 O O . ASP A 1 68 ? -21.013 -6.853 7.477 1.00 92.78 68 A 1 ATOM 512 C CB . ASP A 1 68 ? -22.926 -4.725 6.534 1.00 95.48 68 A 1 ATOM 513 C CG . ASP A 1 68 ? -22.125 -4.297 5.294 1.00 95.58 68 A 1 ATOM 514 O OD1 . ASP A 1 68 ? -20.935 -3.927 5.424 1.00 94.01 68 A 1 ATOM 515 O OD2 . ASP A 1 68 ? -22.688 -4.321 4.181 1.00 93.87 68 A 1 ATOM 516 N N . GLY A 1 69 ? -19.667 -5.146 7.965 1.00 93.75 69 A 1 ATOM 517 C CA . GLY A 1 69 ? -18.411 -5.876 7.875 1.00 91.91 69 A 1 ATOM 518 C C . GLY A 1 69 ? -17.800 -5.949 6.475 1.00 92.37 69 A 1 ATOM 519 O O . GLY A 1 69 ? -16.668 -6.425 6.345 1.00 90.82 69 A 1 ATOM 520 N N . SER A 1 70 ? -18.490 -5.468 5.426 1.00 93.86 70 A 1 ATOM 521 C CA . SER A 1 70 ? -17.912 -5.308 4.093 1.00 94.24 70 A 1 ATOM 522 C C . SER A 1 70 ? -16.874 -4.177 4.056 1.00 94.29 70 A 1 ATOM 523 O O . SER A 1 70 ? -16.732 -3.403 5.011 1.00 93.69 70 A 1 ATOM 524 C CB . SER A 1 70 ? -19.024 -5.101 3.050 1.00 94.97 70 A 1 ATOM 525 O OG . SER A 1 70 ? -19.586 -3.810 3.158 1.00 95.42 70 A 1 ATOM 526 N N . TYR A 1 71 ? -16.109 -4.073 2.952 1.00 94.73 71 A 1 ATOM 527 C CA . TYR A 1 71 ? -15.125 -3.007 2.785 1.00 94.77 71 A 1 ATOM 528 C C . TYR A 1 71 ? -15.421 -2.162 1.546 1.00 95.81 71 A 1 ATOM 529 O O . TYR A 1 71 ? -15.546 -2.686 0.443 1.00 95.62 71 A 1 ATOM 530 C CB . TYR A 1 71 ? -13.709 -3.583 2.726 1.00 93.36 71 A 1 ATOM 531 C CG . TYR A 1 71 ? -13.163 -4.036 4.068 1.00 91.72 71 A 1 ATOM 532 C CD1 . TYR A 1 71 ? -12.516 -3.109 4.910 1.00 88.41 71 A 1 ATOM 533 C CD2 . TYR A 1 71 ? -13.309 -5.372 4.481 1.00 88.05 71 A 1 ATOM 534 C CE1 . TYR A 1 71 ? -11.999 -3.513 6.152 1.00 86.42 71 A 1 ATOM 535 C CE2 . TYR A 1 71 ? -12.795 -5.782 5.728 1.00 86.08 71 A 1 ATOM 536 C CZ . TYR A 1 71 ? -12.132 -4.852 6.564 1.00 85.90 71 A 1 ATOM 537 O OH . TYR A 1 71 ? -11.625 -5.245 7.764 1.00 83.25 71 A 1 ATOM 538 N N . ALA A 1 72 ? -15.459 -0.834 1.728 1.00 96.87 72 A 1 ATOM 539 C CA . ALA A 1 72 ? -15.357 0.115 0.634 1.00 97.19 72 A 1 ATOM 540 C C . ALA A 1 72 ? -13.877 0.388 0.328 1.00 97.11 72 A 1 ATOM 541 O O . ALA A 1 72 ? -13.070 0.611 1.233 1.00 96.57 72 A 1 ATOM 542 C CB . ALA A 1 72 ? -16.126 1.391 0.994 1.00 96.78 72 A 1 ATOM 543 N N . LEU A 1 73 ? -13.520 0.353 -0.964 1.00 97.10 73 A 1 ATOM 544 C CA . LEU A 1 73 ? -12.162 0.543 -1.458 1.00 97.21 73 A 1 ATOM 545 C C . LEU A 1 73 ? -12.154 1.642 -2.521 1.00 97.73 73 A 1 ATOM 546 O O . LEU A 1 73 ? -13.037 1.692 -3.367 1.00 97.10 73 A 1 ATOM 547 C CB . LEU A 1 73 ? -11.623 -0.775 -2.052 1.00 95.28 73 A 1 ATOM 548 C CG . LEU A 1 73 ? -11.568 -1.958 -1.069 1.00 86.74 73 A 1 ATOM 549 C CD1 . LEU A 1 73 ? -11.199 -3.241 -1.810 1.00 77.80 73 A 1 ATOM 550 C CD2 . LEU A 1 73 ? -10.518 -1.730 0.009 1.00 77.84 73 A 1 ATOM 551 N N . ALA A 1 74 ? -11.137 2.494 -2.487 1.00 97.51 74 A 1 ATOM 552 C CA . ALA A 1 74 ? -10.843 3.406 -3.579 1.00 97.58 74 A 1 ATOM 553 C C . ALA A 1 74 ? -9.326 3.496 -3.787 1.00 97.61 74 A 1 ATOM 554 O O . ALA A 1 74 ? -8.564 3.583 -2.820 1.00 96.87 74 A 1 ATOM 555 C CB . ALA A 1 74 ? -11.475 4.776 -3.303 1.00 96.49 74 A 1 ATOM 556 N N . GLU A 1 75 ? -8.906 3.471 -5.049 1.00 97.41 75 A 1 ATOM 557 C CA . GLU A 1 75 ? -7.513 3.600 -5.449 1.00 97.31 75 A 1 ATOM 558 C C . GLU A 1 75 ? -7.389 4.608 -6.587 1.00 98.09 75 A 1 ATOM 559 O O . GLU A 1 75 ? -8.263 4.713 -7.444 1.00 97.07 75 A 1 ATOM 560 C CB . GLU A 1 75 ? -6.906 2.255 -5.854 1.00 94.51 75 A 1 ATOM 561 C CG . GLU A 1 75 ? -6.999 1.190 -4.740 1.00 86.02 75 A 1 ATOM 562 C CD . GLU A 1 75 ? -6.003 0.048 -4.920 1.00 85.44 75 A 1 ATOM 563 O OE1 . GLU A 1 75 ? -5.499 -0.446 -3.876 1.00 77.65 75 A 1 ATOM 564 O OE2 . GLU A 1 75 ? -5.624 -0.276 -6.064 1.00 78.07 75 A 1 ATOM 565 N N . ALA A 1 76 ? -6.273 5.338 -6.589 1.00 98.40 76 A 1 ATOM 566 C CA . ALA A 1 76 ? -5.893 6.187 -7.704 1.00 98.33 76 A 1 ATOM 567 C C . ALA A 1 76 ? -4.391 6.056 -7.954 1.00 98.52 76 A 1 ATOM 568 O O . ALA A 1 76 ? -3.610 5.866 -7.019 1.00 98.14 76 A 1 ATOM 569 C CB . ALA A 1 76 ? -6.310 7.638 -7.421 1.00 97.60 76 A 1 ATOM 570 N N . LEU A 1 77 ? -3.993 6.167 -9.226 1.00 98.53 77 A 1 ATOM 571 C CA . LEU A 1 77 ? -2.596 6.181 -9.640 1.00 98.49 77 A 1 ATOM 572 C C . LEU A 1 77 ? -2.319 7.448 -10.444 1.00 98.62 77 A 1 ATOM 573 O O . LEU A 1 77 ? -3.152 7.902 -11.223 1.00 98.24 77 A 1 ATOM 574 C CB . LEU A 1 77 ? -2.225 4.929 -10.448 1.00 97.51 77 A 1 ATOM 575 C CG . LEU A 1 77 ? -2.238 3.614 -9.643 1.00 93.93 77 A 1 ATOM 576 C CD1 . LEU A 1 77 ? -3.604 2.927 -9.681 1.00 89.20 77 A 1 ATOM 577 C CD2 . LEU A 1 77 ? -1.216 2.638 -10.224 1.00 89.33 77 A 1 ATOM 578 N N . THR A 1 78 ? -1.118 7.997 -10.276 1.00 98.52 78 A 1 ATOM 579 C CA . THR A 1 78 ? -0.628 9.106 -11.087 1.00 98.59 78 A 1 ATOM 580 C C . THR A 1 78 ? 0.863 8.953 -11.361 1.00 98.67 78 A 1 ATOM 581 O O . THR A 1 78 ? 1.600 8.401 -10.547 1.00 98.44 78 A 1 ATOM 582 C CB . THR A 1 78 ? -0.942 10.464 -10.440 1.00 97.87 78 A 1 ATOM 583 O OG1 . THR A 1 78 ? -0.662 11.498 -11.355 1.00 95.21 78 A 1 ATOM 584 C CG2 . THR A 1 78 ? -0.151 10.741 -9.164 1.00 94.64 78 A 1 ATOM 585 N N . PHE A 1 79 ? 1.318 9.429 -12.518 1.00 98.34 79 A 1 ATOM 586 C CA . PHE A 1 79 ? 2.737 9.537 -12.838 1.00 98.49 79 A 1 ATOM 587 C C . PHE A 1 79 ? 3.281 10.886 -12.355 1.00 98.45 79 A 1 ATOM 588 O O . PHE A 1 79 ? 2.667 11.925 -12.610 1.00 98.24 79 A 1 ATOM 589 C CB . PHE A 1 79 ? 2.938 9.345 -14.342 1.00 98.31 79 A 1 ATOM 590 C CG . PHE A 1 79 ? 4.382 9.522 -14.779 1.00 98.20 79 A 1 ATOM 591 C CD1 . PHE A 1 79 ? 4.756 10.645 -15.549 1.00 97.20 79 A 1 ATOM 592 C CD2 . PHE A 1 79 ? 5.348 8.576 -14.410 1.00 97.48 79 A 1 ATOM 593 C CE1 . PHE A 1 79 ? 6.089 10.808 -15.952 1.00 96.77 79 A 1 ATOM 594 C CE2 . PHE A 1 79 ? 6.691 8.743 -14.815 1.00 96.87 79 A 1 ATOM 595 C CZ . PHE A 1 79 ? 7.055 9.851 -15.590 1.00 97.25 79 A 1 ATOM 596 N N . VAL A 1 80 ? 4.432 10.861 -11.668 1.00 98.12 80 A 1 ATOM 597 C CA . VAL A 1 80 ? 5.152 12.053 -11.205 1.00 97.91 80 A 1 ATOM 598 C C . VAL A 1 80 ? 6.503 12.102 -11.916 1.00 98.02 80 A 1 ATOM 599 O O . VAL A 1 80 ? 7.380 11.295 -11.605 1.00 97.82 80 A 1 ATOM 600 C CB . VAL A 1 80 ? 5.317 12.065 -9.676 1.00 97.54 80 A 1 ATOM 601 C CG1 . VAL A 1 80 ? 5.948 13.380 -9.213 1.00 96.64 80 A 1 ATOM 602 C CG2 . VAL A 1 80 ? 3.969 11.915 -8.954 1.00 96.79 80 A 1 ATOM 603 N N . PRO A 1 81 ? 6.701 13.011 -12.887 1.00 97.85 81 A 1 ATOM 604 C CA . PRO A 1 81 ? 7.927 13.071 -13.668 1.00 97.74 81 A 1 ATOM 605 C C . PRO A 1 81 ? 9.125 13.527 -12.828 1.00 97.79 81 A 1 ATOM 606 O O . PRO A 1 81 ? 8.980 14.332 -11.905 1.00 97.47 81 A 1 ATOM 607 C CB . PRO A 1 81 ? 7.628 14.044 -14.811 1.00 97.59 81 A 1 ATOM 608 C CG . PRO A 1 81 ? 6.571 14.977 -14.224 1.00 96.50 81 A 1 ATOM 609 C CD . PRO A 1 81 ? 5.766 14.035 -13.317 1.00 97.79 81 A 1 ATOM 610 N N . ASN A 1 82 ? 10.324 13.067 -13.201 1.00 97.07 82 A 1 ATOM 611 C CA . ASN A 1 82 ? 11.626 13.484 -12.649 1.00 97.08 82 A 1 ATOM 612 C C . ASN A 1 82 ? 11.773 13.307 -11.126 1.00 96.97 82 A 1 ATOM 613 O O . ASN A 1 82 ? 12.584 13.991 -10.500 1.00 95.56 82 A 1 ATOM 614 C CB . ASN A 1 82 ? 11.949 14.917 -13.107 1.00 96.66 82 A 1 ATOM 615 C CG . ASN A 1 82 ? 11.795 15.113 -14.600 1.00 95.14 82 A 1 ATOM 616 O OD1 . ASN A 1 82 ? 12.280 14.352 -15.416 1.00 87.71 82 A 1 ATOM 617 N ND2 . ASN A 1 82 ? 11.081 16.129 -15.016 1.00 87.58 82 A 1 ATOM 618 N N . ASN A 1 83 ? 10.995 12.417 -10.530 1.00 97.64 83 A 1 ATOM 619 C CA . ASN A 1 83 ? 11.028 12.129 -9.097 1.00 97.63 83 A 1 ATOM 620 C C . ASN A 1 83 ? 10.976 10.625 -8.849 1.00 97.76 83 A 1 ATOM 621 O O . ASN A 1 83 ? 10.203 9.923 -9.492 1.00 96.93 83 A 1 ATOM 622 C CB . ASN A 1 83 ? 9.860 12.839 -8.389 1.00 96.96 83 A 1 ATOM 623 C CG . ASN A 1 83 ? 10.062 14.335 -8.259 1.00 95.99 83 A 1 ATOM 624 O OD1 . ASN A 1 83 ? 10.612 14.835 -7.292 1.00 90.34 83 A 1 ATOM 625 N ND2 . ASN A 1 83 ? 9.627 15.103 -9.217 1.00 90.71 83 A 1 ATOM 626 N N . HIS A 1 84 ? 11.756 10.147 -7.873 1.00 97.59 84 A 1 ATOM 627 C CA . HIS A 1 84 ? 11.734 8.770 -7.391 1.00 97.31 84 A 1 ATOM 628 C C . HIS A 1 84 ? 11.466 8.729 -5.886 1.00 97.05 84 A 1 ATOM 629 O O . HIS A 1 84 ? 11.743 9.690 -5.168 1.00 96.13 84 A 1 ATOM 630 C CB . HIS A 1 84 ? 13.067 8.081 -7.738 1.00 96.63 84 A 1 ATOM 631 C CG . HIS A 1 84 ? 13.198 7.598 -9.162 1.00 95.26 84 A 1 ATOM 632 N ND1 . HIS A 1 84 ? 14.341 7.024 -9.702 1.00 87.85 84 A 1 ATOM 633 C CD2 . HIS A 1 84 ? 12.237 7.565 -10.136 1.00 89.32 84 A 1 ATOM 634 C CE1 . HIS A 1 84 ? 14.051 6.658 -10.956 1.00 90.71 84 A 1 ATOM 635 N NE2 . HIS A 1 84 ? 12.789 6.963 -11.264 1.00 91.93 84 A 1 ATOM 636 N N . ILE A 1 85 ? 10.936 7.595 -5.399 1.00 97.54 85 A 1 ATOM 637 C CA . ILE A 1 85 ? 10.964 7.294 -3.969 1.00 97.26 85 A 1 ATOM 638 C C . ILE A 1 85 ? 12.386 6.899 -3.571 1.00 96.92 85 A 1 ATOM 639 O O . ILE A 1 85 ? 12.980 6.011 -4.182 1.00 96.33 85 A 1 ATOM 640 C CB . ILE A 1 85 ? 9.905 6.253 -3.557 1.00 96.81 85 A 1 ATOM 641 C CG1 . ILE A 1 85 ? 9.833 6.144 -2.015 1.00 95.89 85 A 1 ATOM 642 C CG2 . ILE A 1 85 ? 10.118 4.878 -4.213 1.00 94.91 85 A 1 ATOM 643 C CD1 . ILE A 1 85 ? 8.666 5.278 -1.499 1.00 94.10 85 A 1 ATOM 644 N N . ASP A 1 86 ? 12.914 7.530 -2.529 1.00 96.05 86 A 1 ATOM 645 C CA . ASP A 1 86 ? 14.109 7.104 -1.815 1.00 95.26 86 A 1 ATOM 646 C C . ASP A 1 86 ? 13.685 6.285 -0.587 1.00 94.39 86 A 1 ATOM 647 O O . ASP A 1 86 ? 12.908 6.737 0.257 1.00 93.24 86 A 1 ATOM 648 C CB . ASP A 1 86 ? 14.976 8.322 -1.448 1.00 94.35 86 A 1 ATOM 649 C CG . ASP A 1 86 ? 16.339 7.936 -0.860 1.00 92.81 86 A 1 ATOM 650 O OD1 . ASP A 1 86 ? 16.524 6.752 -0.466 1.00 89.69 86 A 1 ATOM 651 O OD2 . ASP A 1 86 ? 17.209 8.820 -0.794 1.00 87.93 86 A 1 ATOM 652 N N . THR A 1 87 ? 14.202 5.048 -0.526 1.00 93.22 87 A 1 ATOM 653 C CA . THR A 1 87 ? 13.953 4.093 0.557 1.00 91.37 87 A 1 ATOM 654 C C . THR A 1 87 ? 15.216 3.772 1.359 1.00 90.28 87 A 1 ATOM 655 O O . THR A 1 87 ? 15.194 2.843 2.159 1.00 88.03 87 A 1 ATOM 656 C CB . THR A 1 87 ? 13.317 2.793 0.027 1.00 90.91 87 A 1 ATOM 657 O OG1 . THR A 1 87 ? 14.166 2.158 -0.899 1.00 90.01 87 A 1 ATOM 658 C CG2 . THR A 1 87 ? 11.993 3.043 -0.692 1.00 88.22 87 A 1 ATOM 659 N N . SER A 1 88 ? 16.329 4.476 1.131 1.00 92.17 88 A 1 ATOM 660 C CA . SER A 1 88 ? 17.625 4.188 1.744 1.00 90.63 88 A 1 ATOM 661 C C . SER A 1 88 ? 17.735 4.668 3.197 1.00 89.26 88 A 1 ATOM 662 O O . SER A 1 88 ? 18.511 4.110 3.979 1.00 85.92 88 A 1 ATOM 663 C CB . SER A 1 88 ? 18.745 4.817 0.898 1.00 90.76 88 A 1 ATOM 664 O OG . SER A 1 88 ? 18.681 6.228 0.933 1.00 88.98 88 A 1 ATOM 665 N N . GLY A 1 89 ? 16.934 5.671 3.575 1.00 87.26 89 A 1 ATOM 666 C CA . GLY A 1 89 ? 16.896 6.234 4.920 1.00 84.66 89 A 1 ATOM 667 C C . GLY A 1 89 ? 15.754 5.696 5.791 1.00 84.69 89 A 1 ATOM 668 O O . GLY A 1 89 ? 14.844 5.014 5.331 1.00 80.69 89 A 1 ATOM 669 N N . ASN A 1 90 ? 15.785 6.077 7.063 1.00 83.30 90 A 1 ATOM 670 C CA . ASN A 1 90 ? 14.714 5.757 8.012 1.00 82.38 90 A 1 ATOM 671 C C . ASN A 1 90 ? 13.369 6.408 7.646 1.00 83.97 90 A 1 ATOM 672 O O . ASN A 1 90 ? 12.310 5.888 7.988 1.00 81.48 90 A 1 ATOM 673 C CB . ASN A 1 90 ? 15.138 6.213 9.423 1.00 79.02 90 A 1 ATOM 674 C CG . ASN A 1 90 ? 16.244 5.364 10.023 1.00 71.93 90 A 1 ATOM 675 O OD1 . ASN A 1 90 ? 16.466 4.224 9.660 1.00 67.31 90 A 1 ATOM 676 N ND2 . ASN A 1 90 ? 16.964 5.886 10.992 1.00 65.17 90 A 1 ATOM 677 N N . THR A 1 91 ? 13.415 7.546 6.958 1.00 86.83 91 A 1 ATOM 678 C CA . THR A 1 91 ? 12.232 8.250 6.450 1.00 88.65 91 A 1 ATOM 679 C C . THR A 1 91 ? 12.243 8.189 4.930 1.00 90.48 91 A 1 ATOM 680 O O . THR A 1 91 ? 13.154 8.712 4.292 1.00 88.03 91 A 1 ATOM 681 C CB . THR A 1 91 ? 12.196 9.703 6.936 1.00 84.83 91 A 1 ATOM 682 O OG1 . THR A 1 91 ? 12.226 9.723 8.342 1.00 77.12 91 A 1 ATOM 683 C CG2 . THR A 1 91 ? 10.901 10.418 6.517 1.00 76.02 91 A 1 ATOM 684 N N . ARG A 1 92 ? 11.220 7.558 4.352 1.00 91.72 92 A 1 ATOM 685 C CA . ARG A 1 92 ? 11.037 7.486 2.909 1.00 92.51 92 A 1 ATOM 686 C C . ARG A 1 92 ? 10.452 8.812 2.400 1.00 93.14 92 A 1 ATOM 687 O O . ARG A 1 92 ? 9.554 9.370 3.026 1.00 91.51 92 A 1 ATOM 688 C CB . ARG A 1 92 ? 10.142 6.294 2.536 1.00 91.88 92 A 1 ATOM 689 C CG . ARG A 1 92 ? 10.724 4.949 3.024 1.00 91.49 92 A 1 ATOM 690 C CD . ARG A 1 92 ? 9.824 3.781 2.611 1.00 89.63 92 A 1 ATOM 691 N NE . ARG A 1 92 ? 10.343 2.479 3.091 1.00 87.89 92 A 1 ATOM 692 C CZ . ARG A 1 92 ? 9.783 1.287 2.912 1.00 85.76 92 A 1 ATOM 693 N NH1 . ARG A 1 92 ? 8.665 1.136 2.281 1.00 82.94 92 A 1 ATOM 694 N NH2 . ARG A 1 92 ? 10.348 0.211 3.375 1.00 81.01 92 A 1 ATOM 695 N N . PHE A 1 93 ? 10.935 9.282 1.257 1.00 93.45 93 A 1 ATOM 696 C CA . PHE A 1 93 ? 10.422 10.501 0.640 1.00 93.92 93 A 1 ATOM 697 C C . PHE A 1 93 ? 10.473 10.402 -0.886 1.00 94.81 93 A 1 ATOM 698 O O . PHE A 1 93 ? 11.145 9.538 -1.437 1.00 94.83 93 A 1 ATOM 699 C CB . PHE A 1 93 ? 11.192 11.724 1.159 1.00 92.39 93 A 1 ATOM 700 C CG . PHE A 1 93 ? 12.655 11.777 0.769 1.00 90.21 93 A 1 ATOM 701 C CD1 . PHE A 1 93 ? 13.624 11.103 1.537 1.00 85.88 93 A 1 ATOM 702 C CD2 . PHE A 1 93 ? 13.059 12.505 -0.374 1.00 87.34 93 A 1 ATOM 703 C CE1 . PHE A 1 93 ? 14.982 11.142 1.165 1.00 79.73 93 A 1 ATOM 704 C CE2 . PHE A 1 93 ? 14.415 12.536 -0.746 1.00 82.69 93 A 1 ATOM 705 C CZ . PHE A 1 93 ? 15.374 11.860 0.023 1.00 81.47 93 A 1 ATOM 706 N N . ILE A 1 94 ? 9.738 11.268 -1.571 1.00 93.33 94 A 1 ATOM 707 C CA . ILE A 1 94 ? 9.833 11.440 -3.022 1.00 94.07 94 A 1 ATOM 708 C C . ILE A 1 94 ? 10.760 12.628 -3.284 1.00 93.10 94 A 1 ATOM 709 O O . ILE A 1 94 ? 10.514 13.729 -2.787 1.00 92.54 94 A 1 ATOM 710 C CB . ILE A 1 94 ? 8.440 11.616 -3.665 1.00 94.83 94 A 1 ATOM 711 C CG1 . ILE A 1 94 ? 7.574 10.357 -3.436 1.00 93.99 94 A 1 ATOM 712 C CG2 . ILE A 1 94 ? 8.577 11.894 -5.174 1.00 92.78 94 A 1 ATOM 713 C CD1 . ILE A 1 94 ? 6.131 10.493 -3.932 1.00 93.24 94 A 1 ATOM 714 N N . GLY A 1 95 ? 11.834 12.410 -4.058 1.00 93.12 95 A 1 ATOM 715 C CA . GLY A 1 95 ? 12.833 13.411 -4.393 1.00 92.65 95 A 1 ATOM 716 C C . GLY A 1 95 ? 13.213 13.368 -5.866 1.00 93.35 95 A 1 ATOM 717 O O . GLY A 1 95 ? 12.870 12.425 -6.576 1.00 92.20 95 A 1 ATOM 718 N N . LYS A 1 96 ? 13.915 14.395 -6.339 1.00 86.05 96 A 1 ATOM 719 C CA . LYS A 1 96 ? 14.414 14.451 -7.720 1.00 85.67 96 A 1 ATOM 720 C C . LYS A 1 96 ? 15.396 13.311 -7.978 1.00 81.06 96 A 1 ATOM 721 O O . LYS A 1 96 ? 16.141 12.943 -7.077 1.00 78.51 96 A 1 ATOM 722 C CB . LYS A 1 96 ? 15.074 15.813 -8.014 1.00 84.87 96 A 1 ATOM 723 C CG . LYS A 1 96 ? 14.053 16.946 -8.066 1.00 76.53 96 A 1 ATOM 724 C CD . LYS A 1 96 ? 14.737 18.256 -8.475 1.00 70.91 96 A 1 ATOM 725 C CE . LYS A 1 96 ? 13.705 19.383 -8.567 1.00 68.49 96 A 1 ATOM 726 N NZ . LYS A 1 96 ? 14.340 20.660 -8.990 1.00 57.01 96 A 1 ATOM 727 N N . ILE A 1 97 ? 15.381 12.811 -9.200 1.00 84.18 97 A 1 ATOM 728 C CA . ILE A 1 97 ? 16.353 11.828 -9.716 1.00 83.78 97 A 1 ATOM 729 C C . ILE A 1 97 ? 17.720 12.494 -9.871 1.00 75.59 97 A 1 ATOM 730 O O . ILE A 1 97 ? 17.757 13.658 -10.327 1.00 69.10 97 A 1 ATOM 731 C CB . ILE A 1 97 ? 15.857 11.222 -11.056 1.00 79.63 97 A 1 ATOM 732 C CG1 . ILE A 1 97 ? 14.438 10.635 -10.933 1.00 75.33 97 A 1 ATOM 733 C CG2 . ILE A 1 97 ? 16.842 10.140 -11.536 1.00 74.60 97 A 1 ATOM 734 C CD1 . ILE A 1 97 ? 13.811 10.290 -12.301 1.00 77.83 97 A 1 ATOM 735 O OXT . ILE A 1 97 ? 18.712 11.808 -9.537 1.00 74.31 97 A 1 #