# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_5b3c466289e0bca0 # _entry.id 5b3c466289e0bca0 # 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" "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 ASN 2 1 n ALA 3 1 n THR 4 1 n TYR 5 1 n GLN 6 1 n ALA 7 1 n LEU 8 1 n LYS 9 1 n THR 10 1 n LEU 11 1 n ARG 12 1 n ASP 13 1 n SER 14 1 n CYS 15 1 n GLU 16 1 n ALA 17 1 n ALA 18 1 n LYS 19 1 n ASP 20 1 n GLU 21 1 n LYS 22 1 n GLY 23 1 n THR 24 1 n ILE 25 1 n ASN 26 1 n GLY 27 1 n ASN 28 1 n LYS 29 1 n LEU 30 1 n ASN 31 1 n ALA 32 1 n LEU 33 1 n ARG 34 1 n ASN 35 1 n LYS 36 1 n ALA 37 1 n VAL 38 1 n LYS 39 1 n GLU 40 1 n MET 41 1 n GLU 42 1 n ALA 43 1 n GLY 44 1 n GLY 45 1 n GLU 46 1 n THR 47 1 n TYR 48 1 n SER 49 1 n ASP 50 1 n ALA 51 1 n ILE 52 1 n ALA 53 1 n MET 54 1 n ALA 55 1 n HIS 56 1 n ASP 57 1 n LEU 58 1 n ILE 59 1 n LYS 60 1 n LYS 61 1 n TYR 62 1 n ARG 63 1 n LYS 64 1 n GLN 65 1 n SER 66 1 n PRO 67 1 n ALA 68 1 n ARG 69 1 n PHE 70 1 n ALA 71 1 n GLY 72 1 n PRO 73 # _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 00:27:15)" _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 89.42 _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 ASN . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n ASP . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n ASN . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n ASN . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n MET . 41 A 41 A 42 1 n GLU . 42 A 42 A 43 1 n ALA . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n GLU . 46 A 46 A 47 1 n THR . 47 A 47 A 48 1 n TYR . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n MET . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n HIS . 56 A 56 A 57 1 n ASP . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n LYS . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n ARG . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n GLN . 65 A 65 A 66 1 n SER . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n ARG . 69 A 69 A 70 1 n PHE . 70 A 70 A 71 1 n ALA . 71 A 71 A 72 1 n GLY . 72 A 72 A 73 1 n PRO . 73 A 73 # _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 00:27:15)" # _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 ? 2.314 19.471 0.945 1.00 66.33 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.389 18.456 0.860 1.00 70.98 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.546 17.664 2.155 1.00 74.01 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.548 16.443 2.117 1.00 70.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.716 19.117 0.439 1.00 63.67 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.772 18.079 0.057 1.00 57.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.286 17.003 -1.332 1.00 53.30 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.471 18.131 -2.724 1.00 47.48 1 A 1 ATOM 9 N N . ASN A 1 2 ? 3.616 18.342 3.302 1.00 80.70 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 3.808 17.646 4.580 1.00 88.09 2 A 1 ATOM 11 C C . ASN A 1 2 ? 2.652 16.704 4.934 1.00 92.15 2 A 1 ATOM 12 O O . ASN A 1 2 ? 2.902 15.595 5.401 1.00 91.08 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 4.011 18.682 5.700 1.00 79.07 2 A 1 ATOM 14 C CG . ASN A 1 2 ? 5.328 19.429 5.584 1.00 70.51 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? 6.204 19.095 4.813 1.00 64.05 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 5.496 20.468 6.367 1.00 63.54 2 A 1 ATOM 17 N N . ALA A 1 3 ? 1.400 17.101 4.676 1.00 89.92 3 A 1 ATOM 18 C CA . ALA A 1 3 ? 0.233 16.270 4.940 1.00 92.46 3 A 1 ATOM 19 C C . ALA A 1 3 ? 0.230 15.002 4.073 1.00 95.25 3 A 1 ATOM 20 O O . ALA A 1 3 ? 0.073 13.899 4.594 1.00 94.99 3 A 1 ATOM 21 C CB . ALA A 1 3 ? -1.034 17.104 4.729 1.00 88.85 3 A 1 ATOM 22 N N . THR A 1 4 ? 0.514 15.137 2.779 1.00 95.08 4 A 1 ATOM 23 C CA . THR A 1 4 ? 0.646 14.017 1.841 1.00 96.00 4 A 1 ATOM 24 C C . THR A 1 4 ? 1.754 13.063 2.265 1.00 96.97 4 A 1 ATOM 25 O O . THR A 1 4 ? 1.547 11.850 2.348 1.00 97.09 4 A 1 ATOM 26 C CB . THR A 1 4 ? 0.949 14.540 0.434 1.00 95.12 4 A 1 ATOM 27 O OG1 . THR A 1 4 ? 0.010 15.530 0.100 1.00 91.57 4 A 1 ATOM 28 C CG2 . THR A 1 4 ? 0.917 13.438 -0.615 1.00 91.50 4 A 1 ATOM 29 N N . TYR A 1 5 ? 2.937 13.602 2.607 1.00 96.27 5 A 1 ATOM 30 C CA . TYR A 1 5 ? 4.058 12.797 3.075 1.00 96.20 5 A 1 ATOM 31 C C . TYR A 1 5 ? 3.720 12.047 4.368 1.00 96.82 5 A 1 ATOM 32 O O . TYR A 1 5 ? 4.008 10.857 4.488 1.00 97.01 5 A 1 ATOM 33 C CB . TYR A 1 5 ? 5.276 13.701 3.272 1.00 94.94 5 A 1 ATOM 34 C CG . TYR A 1 5 ? 6.486 12.927 3.745 1.00 88.86 5 A 1 ATOM 35 C CD1 . TYR A 1 5 ? 7.236 12.162 2.833 1.00 86.11 5 A 1 ATOM 36 C CD2 . TYR A 1 5 ? 6.844 12.918 5.111 1.00 84.30 5 A 1 ATOM 37 C CE1 . TYR A 1 5 ? 8.325 11.403 3.271 1.00 80.90 5 A 1 ATOM 38 C CE2 . TYR A 1 5 ? 7.933 12.159 5.562 1.00 79.96 5 A 1 ATOM 39 C CZ . TYR A 1 5 ? 8.670 11.400 4.633 1.00 77.58 5 A 1 ATOM 40 O OH . TYR A 1 5 ? 9.726 10.652 5.063 1.00 72.76 5 A 1 ATOM 41 N N . GLN A 1 6 ? 3.062 12.724 5.309 1.00 96.81 6 A 1 ATOM 42 C CA . GLN A 1 6 ? 2.661 12.122 6.574 1.00 96.93 6 A 1 ATOM 43 C C . GLN A 1 6 ? 1.628 11.009 6.377 1.00 97.69 6 A 1 ATOM 44 O O . GLN A 1 6 ? 1.746 9.952 6.997 1.00 97.75 6 A 1 ATOM 45 C CB . GLN A 1 6 ? 2.154 13.223 7.511 1.00 95.94 6 A 1 ATOM 46 C CG . GLN A 1 6 ? 1.819 12.708 8.907 1.00 85.78 6 A 1 ATOM 47 C CD . GLN A 1 6 ? 3.026 12.081 9.616 1.00 80.55 6 A 1 ATOM 48 O OE1 . GLN A 1 6 ? 4.165 12.506 9.484 1.00 74.18 6 A 1 ATOM 49 N NE2 . GLN A 1 6 ? 2.808 11.049 10.381 1.00 70.56 6 A 1 ATOM 50 N N . ALA A 1 7 ? 0.660 11.194 5.485 1.00 97.38 7 A 1 ATOM 51 C CA . ALA A 1 7 ? -0.333 10.181 5.150 1.00 97.72 7 A 1 ATOM 52 C C . ALA A 1 7 ? 0.314 8.936 4.516 1.00 98.20 7 A 1 ATOM 53 O O . ALA A 1 7 ? 0.033 7.812 4.928 1.00 98.30 7 A 1 ATOM 54 C CB . ALA A 1 7 ? -1.381 10.806 4.228 1.00 97.38 7 A 1 ATOM 55 N N . LEU A 1 8 ? 1.238 9.128 3.569 1.00 98.20 8 A 1 ATOM 56 C CA . LEU A 1 8 ? 1.981 8.034 2.948 1.00 98.19 8 A 1 ATOM 57 C C . LEU A 1 8 ? 2.880 7.299 3.951 1.00 98.27 8 A 1 ATOM 58 O O . LEU A 1 8 ? 2.942 6.071 3.938 1.00 98.15 8 A 1 ATOM 59 C CB . LEU A 1 8 ? 2.829 8.574 1.786 1.00 97.75 8 A 1 ATOM 60 C CG . LEU A 1 8 ? 2.024 9.002 0.559 1.00 96.57 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? 2.954 9.696 -0.439 1.00 95.97 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? 1.374 7.807 -0.137 1.00 95.54 8 A 1 ATOM 63 N N . LYS A 1 9 ? 3.543 8.031 4.841 1.00 98.09 9 A 1 ATOM 64 C CA . LYS A 1 9 ? 4.351 7.445 5.912 1.00 98.08 9 A 1 ATOM 65 C C . LYS A 1 9 ? 3.488 6.595 6.839 1.00 98.16 9 A 1 ATOM 66 O O . LYS A 1 9 ? 3.814 5.431 7.074 1.00 98.12 9 A 1 ATOM 67 C CB . LYS A 1 9 ? 5.093 8.556 6.660 1.00 97.73 9 A 1 ATOM 68 C CG . LYS A 1 9 ? 5.996 7.975 7.749 1.00 93.10 9 A 1 ATOM 69 C CD . LYS A 1 9 ? 6.733 9.084 8.499 1.00 88.31 9 A 1 ATOM 70 C CE . LYS A 1 9 ? 7.537 8.457 9.637 1.00 78.33 9 A 1 ATOM 71 N NZ . LYS A 1 9 ? 8.170 9.490 10.488 1.00 71.22 9 A 1 ATOM 72 N N . THR A 1 10 ? 2.362 7.127 7.298 1.00 98.27 10 A 1 ATOM 73 C CA . THR A 1 10 ? 1.412 6.411 8.164 1.00 98.15 10 A 1 ATOM 74 C C . THR A 1 10 ? 0.871 5.159 7.480 1.00 98.36 10 A 1 ATOM 75 O O . THR A 1 10 ? 0.773 4.101 8.103 1.00 98.25 10 A 1 ATOM 76 C CB . THR A 1 10 ? 0.247 7.329 8.554 1.00 97.66 10 A 1 ATOM 77 O OG1 . THR A 1 10 ? 0.745 8.470 9.219 1.00 93.15 10 A 1 ATOM 78 C CG2 . THR A 1 10 ? -0.747 6.656 9.498 1.00 92.18 10 A 1 ATOM 79 N N . LEU A 1 11 ? 0.557 5.242 6.183 1.00 98.65 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 0.117 4.092 5.398 1.00 98.65 11 A 1 ATOM 81 C C . LEU A 1 11 ? 1.204 3.020 5.333 1.00 98.55 11 A 1 ATOM 82 O O . LEU A 1 11 ? 0.915 1.846 5.587 1.00 98.49 11 A 1 ATOM 83 C CB . LEU A 1 11 ? -0.300 4.560 3.995 1.00 98.59 11 A 1 ATOM 84 C CG . LEU A 1 11 ? -0.734 3.417 3.060 1.00 98.20 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -1.901 2.600 3.619 1.00 97.87 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? -1.150 3.992 1.708 1.00 97.80 11 A 1 ATOM 87 N N . ARG A 1 12 ? 2.441 3.407 5.027 1.00 98.63 12 A 1 ATOM 88 C CA . ARG A 1 12 ? 3.576 2.477 4.973 1.00 98.43 12 A 1 ATOM 89 C C . ARG A 1 12 ? 3.792 1.784 6.314 1.00 98.54 12 A 1 ATOM 90 O O . ARG A 1 12 ? 3.848 0.561 6.347 1.00 98.27 12 A 1 ATOM 91 C CB . ARG A 1 12 ? 4.834 3.234 4.530 1.00 97.93 12 A 1 ATOM 92 C CG . ARG A 1 12 ? 6.018 2.273 4.349 1.00 91.33 12 A 1 ATOM 93 C CD . ARG A 1 12 ? 7.298 3.045 4.025 1.00 85.91 12 A 1 ATOM 94 N NE . ARG A 1 12 ? 7.696 3.871 5.176 1.00 75.34 12 A 1 ATOM 95 C CZ . ARG A 1 12 ? 8.631 4.806 5.181 1.00 69.45 12 A 1 ATOM 96 N NH1 . ARG A 1 12 ? 9.333 5.083 4.113 1.00 62.61 12 A 1 ATOM 97 N NH2 . ARG A 1 12 ? 8.859 5.470 6.276 1.00 61.82 12 A 1 ATOM 98 N N . ASP A 1 13 ? 3.851 2.544 7.390 1.00 98.56 13 A 1 ATOM 99 C CA . ASP A 1 13 ? 4.093 2.006 8.731 1.00 98.51 13 A 1 ATOM 100 C C . ASP A 1 13 ? 2.950 1.054 9.153 1.00 98.51 13 A 1 ATOM 101 O O . ASP A 1 13 ? 3.200 -0.009 9.718 1.00 98.35 13 A 1 ATOM 102 C CB . ASP A 1 13 ? 4.257 3.172 9.723 1.00 98.32 13 A 1 ATOM 103 C CG . ASP A 1 13 ? 5.481 4.067 9.451 1.00 95.39 13 A 1 ATOM 104 O OD1 . ASP A 1 13 ? 6.353 3.703 8.629 1.00 93.31 13 A 1 ATOM 105 O OD2 . ASP A 1 13 ? 5.561 5.152 10.063 1.00 92.94 13 A 1 ATOM 106 N N . SER A 1 14 ? 1.711 1.379 8.789 1.00 98.63 14 A 1 ATOM 107 C CA . SER A 1 14 ? 0.562 0.506 9.020 1.00 98.50 14 A 1 ATOM 108 C C . SER A 1 14 ? 0.625 -0.784 8.199 1.00 98.56 14 A 1 ATOM 109 O O . SER A 1 14 ? 0.237 -1.846 8.694 1.00 98.20 14 A 1 ATOM 110 C CB . SER A 1 14 ? -0.753 1.221 8.695 1.00 98.30 14 A 1 ATOM 111 O OG . SER A 1 14 ? -0.926 2.380 9.486 1.00 91.05 14 A 1 ATOM 112 N N . CYS A 1 15 ? 1.120 -0.719 6.963 1.00 98.64 15 A 1 ATOM 113 C CA . CYS A 1 15 ? 1.325 -1.897 6.121 1.00 98.61 15 A 1 ATOM 114 C C . CYS A 1 15 ? 2.447 -2.787 6.670 1.00 98.54 15 A 1 ATOM 115 O O . CYS A 1 15 ? 2.281 -4.000 6.736 1.00 98.27 15 A 1 ATOM 116 C CB . CYS A 1 15 ? 1.625 -1.458 4.688 1.00 98.47 15 A 1 ATOM 117 S SG . CYS A 1 15 ? 0.131 -0.834 3.867 1.00 97.87 15 A 1 ATOM 118 N N . GLU A 1 16 ? 3.549 -2.195 7.102 1.00 98.53 16 A 1 ATOM 119 C CA . GLU A 1 16 ? 4.663 -2.928 7.710 1.00 98.37 16 A 1 ATOM 120 C C . GLU A 1 16 ? 4.252 -3.654 9.002 1.00 98.36 16 A 1 ATOM 121 O O . GLU A 1 16 ? 4.684 -4.779 9.237 1.00 97.85 16 A 1 ATOM 122 C CB . GLU A 1 16 ? 5.829 -1.975 7.988 1.00 97.90 16 A 1 ATOM 123 C CG . GLU A 1 16 ? 6.591 -1.523 6.731 1.00 93.62 16 A 1 ATOM 124 C CD . GLU A 1 16 ? 7.164 -2.732 5.980 1.00 93.36 16 A 1 ATOM 125 O OE1 . GLU A 1 16 ? 8.024 -3.441 6.533 1.00 89.01 16 A 1 ATOM 126 O OE2 . GLU A 1 16 ? 6.697 -3.031 4.873 1.00 89.01 16 A 1 ATOM 127 N N . ALA A 1 17 ? 3.369 -3.029 9.791 1.00 98.35 17 A 1 ATOM 128 C CA . ALA A 1 17 ? 2.839 -3.639 11.006 1.00 98.11 17 A 1 ATOM 129 C C . ALA A 1 17 ? 1.774 -4.725 10.738 1.00 98.03 17 A 1 ATOM 130 O O . ALA A 1 17 ? 1.586 -5.610 11.565 1.00 97.41 17 A 1 ATOM 131 C CB . ALA A 1 17 ? 2.272 -2.525 11.886 1.00 97.78 17 A 1 ATOM 132 N N . ALA A 1 18 ? 1.062 -4.649 9.617 1.00 98.07 18 A 1 ATOM 133 C CA . ALA A 1 18 ? -0.064 -5.529 9.314 1.00 97.71 18 A 1 ATOM 134 C C . ALA A 1 18 ? 0.282 -6.697 8.373 1.00 97.81 18 A 1 ATOM 135 O O . ALA A 1 18 ? -0.564 -7.575 8.176 1.00 97.17 18 A 1 ATOM 136 C CB . ALA A 1 18 ? -1.208 -4.686 8.743 1.00 97.26 18 A 1 ATOM 137 N N . LYS A 1 19 ? 1.456 -6.700 7.760 1.00 97.95 19 A 1 ATOM 138 C CA . LYS A 1 19 ? 1.882 -7.764 6.848 1.00 97.80 19 A 1 ATOM 139 C C . LYS A 1 19 ? 2.040 -9.089 7.585 1.00 97.66 19 A 1 ATOM 140 O O . LYS A 1 19 ? 2.443 -9.130 8.748 1.00 97.18 19 A 1 ATOM 141 C CB . LYS A 1 19 ? 3.137 -7.350 6.066 1.00 97.40 19 A 1 ATOM 142 C CG . LYS A 1 19 ? 4.404 -7.286 6.917 1.00 96.51 19 A 1 ATOM 143 C CD . LYS A 1 19 ? 5.562 -6.684 6.113 1.00 95.05 19 A 1 ATOM 144 C CE . LYS A 1 19 ? 6.831 -6.686 6.954 1.00 90.35 19 A 1 ATOM 145 N NZ . LYS A 1 19 ? 7.941 -6.008 6.246 1.00 85.14 19 A 1 ATOM 146 N N . ASP A 1 20 ? 1.731 -10.172 6.901 1.00 97.20 20 A 1 ATOM 147 C CA . ASP A 1 20 ? 1.968 -11.522 7.386 1.00 96.48 20 A 1 ATOM 148 C C . ASP A 1 20 ? 3.430 -11.958 7.172 1.00 96.54 20 A 1 ATOM 149 O O . ASP A 1 20 ? 4.270 -11.205 6.671 1.00 95.41 20 A 1 ATOM 150 C CB . ASP A 1 20 ? 0.941 -12.488 6.758 1.00 94.60 20 A 1 ATOM 151 C CG . ASP A 1 20 ? 1.070 -12.717 5.251 1.00 88.93 20 A 1 ATOM 152 O OD1 . ASP A 1 20 ? 2.126 -12.416 4.663 1.00 85.62 20 A 1 ATOM 153 O OD2 . ASP A 1 20 ? 0.109 -13.237 4.645 1.00 85.69 20 A 1 ATOM 154 N N . GLU A 1 21 ? 3.732 -13.199 7.523 1.00 96.08 21 A 1 ATOM 155 C CA . GLU A 1 21 ? 5.065 -13.792 7.357 1.00 95.79 21 A 1 ATOM 156 C C . GLU A 1 21 ? 5.551 -13.807 5.899 1.00 95.67 21 A 1 ATOM 157 O O . GLU A 1 21 ? 6.748 -13.849 5.635 1.00 94.17 21 A 1 ATOM 158 C CB . GLU A 1 21 ? 5.029 -15.234 7.866 1.00 95.10 21 A 1 ATOM 159 C CG . GLU A 1 21 ? 4.681 -15.339 9.351 1.00 84.29 21 A 1 ATOM 160 C CD . GLU A 1 21 ? 4.589 -16.789 9.832 1.00 74.88 21 A 1 ATOM 161 O OE1 . GLU A 1 21 ? 4.450 -16.975 11.054 1.00 68.60 21 A 1 ATOM 162 O OE2 . GLU A 1 21 ? 4.634 -17.714 8.987 1.00 69.74 21 A 1 ATOM 163 N N . LYS A 1 22 ? 4.622 -13.739 4.941 1.00 95.00 22 A 1 ATOM 164 C CA . LYS A 1 22 ? 4.913 -13.690 3.504 1.00 94.65 22 A 1 ATOM 165 C C . LYS A 1 22 ? 5.035 -12.254 2.986 1.00 94.96 22 A 1 ATOM 166 O O . LYS A 1 22 ? 5.205 -12.051 1.784 1.00 92.89 22 A 1 ATOM 167 C CB . LYS A 1 22 ? 3.861 -14.489 2.733 1.00 93.15 22 A 1 ATOM 168 C CG . LYS A 1 22 ? 3.827 -15.959 3.176 1.00 86.76 22 A 1 ATOM 169 C CD . LYS A 1 22 ? 2.754 -16.724 2.415 1.00 81.02 22 A 1 ATOM 170 C CE . LYS A 1 22 ? 2.745 -18.146 2.942 1.00 71.42 22 A 1 ATOM 171 N NZ . LYS A 1 22 ? 1.668 -18.965 2.342 1.00 64.18 22 A 1 ATOM 172 N N . GLY A 1 23 ? 4.916 -11.256 3.859 1.00 95.81 23 A 1 ATOM 173 C CA . GLY A 1 23 ? 4.937 -9.842 3.509 1.00 95.75 23 A 1 ATOM 174 C C . GLY A 1 23 ? 3.657 -9.358 2.835 1.00 96.44 23 A 1 ATOM 175 O O . GLY A 1 23 ? 3.676 -8.297 2.207 1.00 95.49 23 A 1 ATOM 176 N N . THR A 1 24 ? 2.558 -10.104 2.937 1.00 97.32 24 A 1 ATOM 177 C CA . THR A 1 24 ? 1.279 -9.752 2.314 1.00 97.20 24 A 1 ATOM 178 C C . THR A 1 24 ? 0.227 -9.358 3.341 1.00 97.62 24 A 1 ATOM 179 O O . THR A 1 24 ? 0.321 -9.684 4.523 1.00 97.27 24 A 1 ATOM 180 C CB . THR A 1 24 ? 0.749 -10.845 1.373 1.00 95.89 24 A 1 ATOM 181 O OG1 . THR A 1 24 ? 0.291 -11.993 2.036 1.00 90.03 24 A 1 ATOM 182 C CG2 . THR A 1 24 ? 1.788 -11.288 0.346 1.00 88.82 24 A 1 ATOM 183 N N . ILE A 1 25 ? -0.784 -8.617 2.888 1.00 98.04 25 A 1 ATOM 184 C CA . ILE A 1 25 ? -1.892 -8.142 3.719 1.00 97.85 25 A 1 ATOM 185 C C . ILE A 1 25 ? -3.203 -8.604 3.099 1.00 97.30 25 A 1 ATOM 186 O O . ILE A 1 25 ? -3.367 -8.607 1.876 1.00 96.72 25 A 1 ATOM 187 C CB . ILE A 1 25 ? -1.832 -6.609 3.894 1.00 98.00 25 A 1 ATOM 188 C CG1 . ILE A 1 25 ? -0.452 -6.167 4.434 1.00 97.37 25 A 1 ATOM 189 C CG2 . ILE A 1 25 ? -2.956 -6.119 4.816 1.00 97.08 25 A 1 ATOM 190 C CD1 . ILE A 1 25 ? -0.276 -4.659 4.564 1.00 96.99 25 A 1 ATOM 191 N N . ASN A 1 26 ? -4.168 -8.978 3.936 1.00 97.01 26 A 1 ATOM 192 C CA . ASN A 1 26 ? -5.515 -9.304 3.495 1.00 96.47 26 A 1 ATOM 193 C C . ASN A 1 26 ? -6.123 -8.138 2.691 1.00 96.77 26 A 1 ATOM 194 O O . ASN A 1 26 ? -6.055 -6.981 3.116 1.00 96.43 26 A 1 ATOM 195 C CB . ASN A 1 26 ? -6.360 -9.652 4.728 1.00 94.87 26 A 1 ATOM 196 C CG . ASN A 1 26 ? -7.787 -10.052 4.366 1.00 90.75 26 A 1 ATOM 197 O OD1 . ASN A 1 26 ? -8.492 -9.353 3.677 1.00 83.96 26 A 1 ATOM 198 N ND2 . ASN A 1 26 ? -8.240 -11.189 4.817 1.00 82.76 26 A 1 ATOM 199 N N . GLY A 1 27 ? -6.760 -8.436 1.566 1.00 95.74 27 A 1 ATOM 200 C CA . GLY A 1 27 ? -7.311 -7.437 0.652 1.00 95.31 27 A 1 ATOM 201 C C . GLY A 1 27 ? -8.281 -6.449 1.308 1.00 96.24 27 A 1 ATOM 202 O O . GLY A 1 27 ? -8.199 -5.253 1.033 1.00 95.93 27 A 1 ATOM 203 N N . ASN A 1 28 ? -9.140 -6.907 2.220 1.00 96.23 28 A 1 ATOM 204 C CA . ASN A 1 28 ? -10.063 -6.025 2.933 1.00 96.73 28 A 1 ATOM 205 C C . ASN A 1 28 ? -9.321 -5.045 3.847 1.00 97.45 28 A 1 ATOM 206 O O . ASN A 1 28 ? -9.615 -3.851 3.843 1.00 97.27 28 A 1 ATOM 207 C CB . ASN A 1 28 ? -11.054 -6.867 3.748 1.00 95.91 28 A 1 ATOM 208 C CG . ASN A 1 28 ? -12.028 -7.645 2.883 1.00 86.95 28 A 1 ATOM 209 O OD1 . ASN A 1 28 ? -12.172 -7.415 1.702 1.00 80.28 28 A 1 ATOM 210 N ND2 . ASN A 1 28 ? -12.734 -8.589 3.464 1.00 78.98 28 A 1 ATOM 211 N N . LYS A 1 29 ? -8.318 -5.522 4.587 1.00 97.68 29 A 1 ATOM 212 C CA . LYS A 1 29 ? -7.481 -4.677 5.441 1.00 97.82 29 A 1 ATOM 213 C C . LYS A 1 29 ? -6.682 -3.685 4.613 1.00 97.91 29 A 1 ATOM 214 O O . LYS A 1 29 ? -6.633 -2.497 4.947 1.00 97.81 29 A 1 ATOM 215 C CB . LYS A 1 29 ? -6.578 -5.559 6.312 1.00 97.51 29 A 1 ATOM 216 C CG . LYS A 1 29 ? -5.673 -4.776 7.270 1.00 94.81 29 A 1 ATOM 217 C CD . LYS A 1 29 ? -6.452 -3.940 8.293 1.00 89.31 29 A 1 ATOM 218 C CE . LYS A 1 29 ? -5.486 -3.288 9.270 1.00 82.31 29 A 1 ATOM 219 N NZ . LYS A 1 29 ? -6.176 -2.502 10.314 1.00 74.20 29 A 1 ATOM 220 N N . LEU A 1 30 ? -6.106 -4.118 3.492 1.00 98.07 30 A 1 ATOM 221 C CA . LEU A 1 30 ? -5.323 -3.283 2.588 1.00 97.94 30 A 1 ATOM 222 C C . LEU A 1 30 ? -6.175 -2.159 1.973 1.00 97.94 30 A 1 ATOM 223 O O . LEU A 1 30 ? -5.741 -1.016 1.939 1.00 97.75 30 A 1 ATOM 224 C CB . LEU A 1 30 ? -4.712 -4.195 1.516 1.00 97.48 30 A 1 ATOM 225 C CG . LEU A 1 30 ? -3.609 -3.523 0.696 1.00 95.42 30 A 1 ATOM 226 C CD1 . LEU A 1 30 ? -2.404 -3.164 1.569 1.00 95.29 30 A 1 ATOM 227 C CD2 . LEU A 1 30 ? -3.139 -4.486 -0.388 1.00 94.87 30 A 1 ATOM 228 N N . ASN A 1 31 ? -7.405 -2.456 1.563 1.00 97.67 31 A 1 ATOM 229 C CA . ASN A 1 31 ? -8.340 -1.462 1.059 1.00 97.33 31 A 1 ATOM 230 C C . ASN A 1 31 ? -8.760 -0.459 2.146 1.00 97.79 31 A 1 ATOM 231 O O . ASN A 1 31 ? -8.854 0.733 1.856 1.00 97.43 31 A 1 ATOM 232 C CB . ASN A 1 31 ? -9.563 -2.173 0.475 1.00 96.01 31 A 1 ATOM 233 C CG . ASN A 1 31 ? -9.283 -2.879 -0.835 1.00 91.89 31 A 1 ATOM 234 O OD1 . ASN A 1 31 ? -8.371 -2.555 -1.581 1.00 86.63 31 A 1 ATOM 235 N ND2 . ASN A 1 31 ? -10.095 -3.853 -1.185 1.00 84.53 31 A 1 ATOM 236 N N . ALA A 1 32 ? -8.959 -0.895 3.379 1.00 98.30 32 A 1 ATOM 237 C CA . ALA A 1 32 ? -9.279 -0.003 4.489 1.00 98.43 32 A 1 ATOM 238 C C . ALA A 1 32 ? -8.127 0.970 4.793 1.00 98.56 32 A 1 ATOM 239 O O . ALA A 1 32 ? -8.364 2.169 4.947 1.00 98.31 32 A 1 ATOM 240 C CB . ALA A 1 32 ? -9.644 -0.852 5.716 1.00 98.23 32 A 1 ATOM 241 N N . LEU A 1 33 ? -6.881 0.490 4.793 1.00 98.53 33 A 1 ATOM 242 C CA . LEU A 1 33 ? -5.691 1.323 4.978 1.00 98.57 33 A 1 ATOM 243 C C . LEU A 1 33 ? -5.529 2.334 3.837 1.00 98.47 33 A 1 ATOM 244 O O . LEU A 1 33 ? -5.296 3.513 4.097 1.00 98.29 33 A 1 ATOM 245 C CB . LEU A 1 33 ? -4.447 0.429 5.080 1.00 98.43 33 A 1 ATOM 246 C CG . LEU A 1 33 ? -4.367 -0.420 6.353 1.00 97.53 33 A 1 ATOM 247 C CD1 . LEU A 1 33 ? -3.155 -1.357 6.255 1.00 96.48 33 A 1 ATOM 248 C CD2 . LEU A 1 33 ? -4.219 0.429 7.612 1.00 95.99 33 A 1 ATOM 249 N N . ARG A 1 34 ? -5.726 1.907 2.584 1.00 98.48 34 A 1 ATOM 250 C CA . ARG A 1 34 ? -5.720 2.781 1.408 1.00 98.31 34 A 1 ATOM 251 C C . ARG A 1 34 ? -6.751 3.898 1.540 1.00 98.36 34 A 1 ATOM 252 O O . ARG A 1 34 ? -6.415 5.058 1.384 1.00 98.18 34 A 1 ATOM 253 C CB . ARG A 1 34 ? -5.977 1.950 0.149 1.00 97.86 34 A 1 ATOM 254 C CG . ARG A 1 34 ? -5.960 2.792 -1.136 1.00 96.43 34 A 1 ATOM 255 C CD . ARG A 1 34 ? -6.671 2.072 -2.279 1.00 94.46 34 A 1 ATOM 256 N NE . ARG A 1 34 ? -8.121 2.031 -2.039 1.00 89.05 34 A 1 ATOM 257 C CZ . ARG A 1 34 ? -8.995 1.237 -2.630 1.00 87.29 34 A 1 ATOM 258 N NH1 . ARG A 1 34 ? -8.642 0.397 -3.556 1.00 79.66 34 A 1 ATOM 259 N NH2 . ARG A 1 34 ? -10.245 1.294 -2.280 1.00 81.64 34 A 1 ATOM 260 N N . ASN A 1 35 ? -7.991 3.560 1.843 1.00 98.35 35 A 1 ATOM 261 C CA . ASN A 1 35 ? -9.073 4.533 1.937 1.00 98.24 35 A 1 ATOM 262 C C . ASN A 1 35 ? -8.832 5.556 3.058 1.00 98.31 35 A 1 ATOM 263 O O . ASN A 1 35 ? -9.162 6.726 2.898 1.00 98.04 35 A 1 ATOM 264 C CB . ASN A 1 35 ? -10.394 3.801 2.173 1.00 97.68 35 A 1 ATOM 265 C CG . ASN A 1 35 ? -10.850 2.943 1.002 1.00 95.33 35 A 1 ATOM 266 O OD1 . ASN A 1 35 ? -10.278 2.903 -0.068 1.00 90.39 35 A 1 ATOM 267 N ND2 . ASN A 1 35 ? -11.935 2.224 1.196 1.00 89.07 35 A 1 ATOM 268 N N . LYS A 1 36 ? -8.240 5.141 4.165 1.00 98.12 36 A 1 ATOM 269 C CA . LYS A 1 36 ? -7.850 6.043 5.247 1.00 98.06 36 A 1 ATOM 270 C C . LYS A 1 36 ? -6.780 7.032 4.778 1.00 98.00 36 A 1 ATOM 271 O O . LYS A 1 36 ? -6.960 8.232 4.955 1.00 97.71 36 A 1 ATOM 272 C CB . LYS A 1 36 ? -7.384 5.224 6.462 1.00 97.80 36 A 1 ATOM 273 C CG . LYS A 1 36 ? -7.060 6.141 7.640 1.00 94.40 36 A 1 ATOM 274 C CD . LYS A 1 36 ? -6.559 5.349 8.842 1.00 91.01 36 A 1 ATOM 275 C CE . LYS A 1 36 ? -6.143 6.356 9.909 1.00 82.40 36 A 1 ATOM 276 N NZ . LYS A 1 36 ? -5.463 5.719 11.057 1.00 74.16 36 A 1 ATOM 277 N N . ALA A 1 37 ? -5.713 6.560 4.135 1.00 98.41 37 A 1 ATOM 278 C CA . ALA A 1 37 ? -4.646 7.411 3.627 1.00 98.43 37 A 1 ATOM 279 C C . ALA A 1 37 ? -5.147 8.396 2.566 1.00 98.41 37 A 1 ATOM 280 O O . ALA A 1 37 ? -4.769 9.566 2.596 1.00 98.32 37 A 1 ATOM 281 C CB . ALA A 1 37 ? -3.534 6.525 3.061 1.00 98.27 37 A 1 ATOM 282 N N . VAL A 1 38 ? -6.034 7.978 1.665 1.00 98.33 38 A 1 ATOM 283 C CA . VAL A 1 38 ? -6.658 8.852 0.664 1.00 98.38 38 A 1 ATOM 284 C C . VAL A 1 38 ? -7.389 10.011 1.328 1.00 98.38 38 A 1 ATOM 285 O O . VAL A 1 38 ? -7.158 11.157 0.961 1.00 98.24 38 A 1 ATOM 286 C CB . VAL A 1 38 ? -7.597 8.053 -0.256 1.00 98.23 38 A 1 ATOM 287 C CG1 . VAL A 1 38 ? -8.481 8.941 -1.136 1.00 97.66 38 A 1 ATOM 288 C CG2 . VAL A 1 38 ? -6.776 7.160 -1.178 1.00 97.76 38 A 1 ATOM 289 N N . LYS A 1 39 ? -8.193 9.764 2.356 1.00 98.04 39 A 1 ATOM 290 C CA . LYS A 1 39 ? -8.897 10.823 3.094 1.00 97.81 39 A 1 ATOM 291 C C . LYS A 1 39 ? -7.931 11.798 3.774 1.00 97.70 39 A 1 ATOM 292 O O . LYS A 1 39 ? -8.186 12.997 3.781 1.00 97.50 39 A 1 ATOM 293 C CB . LYS A 1 39 ? -9.820 10.213 4.141 1.00 97.57 39 A 1 ATOM 294 C CG . LYS A 1 39 ? -11.037 9.537 3.508 1.00 90.14 39 A 1 ATOM 295 C CD . LYS A 1 39 ? -11.912 8.930 4.592 1.00 84.61 39 A 1 ATOM 296 C CE . LYS A 1 39 ? -13.147 8.294 3.954 1.00 76.38 39 A 1 ATOM 297 N NZ . LYS A 1 39 ? -14.126 7.866 4.979 1.00 70.03 39 A 1 ATOM 298 N N . GLU A 1 40 ? -6.832 11.313 4.319 1.00 97.78 40 A 1 ATOM 299 C CA . GLU A 1 40 ? -5.802 12.159 4.934 1.00 97.47 40 A 1 ATOM 300 C C . GLU A 1 40 ? -5.101 13.045 3.892 1.00 97.44 40 A 1 ATOM 301 O O . GLU A 1 40 ? -4.834 14.213 4.166 1.00 97.06 40 A 1 ATOM 302 C CB . GLU A 1 40 ? -4.785 11.290 5.683 1.00 96.99 40 A 1 ATOM 303 C CG . GLU A 1 40 ? -5.363 10.661 6.962 1.00 90.56 40 A 1 ATOM 304 C CD . GLU A 1 40 ? -4.408 9.641 7.604 1.00 84.61 40 A 1 ATOM 305 O OE1 . GLU A 1 40 ? -3.203 9.939 7.742 1.00 80.55 40 A 1 ATOM 306 O OE2 . GLU A 1 40 ? -4.853 8.543 7.971 1.00 80.08 40 A 1 ATOM 307 N N . MET A 1 41 ? -4.857 12.530 2.683 1.00 97.68 41 A 1 ATOM 308 C CA . MET A 1 41 ? -4.284 13.307 1.582 1.00 97.76 41 A 1 ATOM 309 C C . MET A 1 41 ? -5.265 14.352 1.049 1.00 97.50 41 A 1 ATOM 310 O O . MET A 1 41 ? -4.871 15.499 0.855 1.00 97.56 41 A 1 ATOM 311 C CB . MET A 1 41 ? -3.850 12.383 0.441 1.00 97.92 41 A 1 ATOM 312 C CG . MET A 1 41 ? -2.691 11.476 0.818 1.00 97.48 41 A 1 ATOM 313 S SD . MET A 1 41 ? -2.260 10.330 -0.523 1.00 96.63 41 A 1 ATOM 314 C CE . MET A 1 41 ? -1.614 8.971 0.440 1.00 91.89 41 A 1 ATOM 315 N N . GLU A 1 42 ? -6.545 14.016 0.877 1.00 97.69 42 A 1 ATOM 316 C CA . GLU A 1 42 ? -7.589 14.962 0.467 1.00 97.54 42 A 1 ATOM 317 C C . GLU A 1 42 ? -7.742 16.102 1.488 1.00 97.06 42 A 1 ATOM 318 O O . GLU A 1 42 ? -7.821 17.268 1.104 1.00 96.69 42 A 1 ATOM 319 C CB . GLU A 1 42 ? -8.931 14.246 0.291 1.00 97.62 42 A 1 ATOM 320 C CG . GLU A 1 42 ? -8.972 13.347 -0.950 1.00 96.11 42 A 1 ATOM 321 C CD . GLU A 1 42 ? -10.334 12.648 -1.073 1.00 94.29 42 A 1 ATOM 322 O OE1 . GLU A 1 42 ? -11.152 13.085 -1.901 1.00 89.18 42 A 1 ATOM 323 O OE2 . GLU A 1 42 ? -10.573 11.674 -0.327 1.00 89.27 42 A 1 ATOM 324 N N . ALA A 1 43 ? -7.691 15.802 2.779 1.00 97.57 43 A 1 ATOM 325 C CA . ALA A 1 43 ? -7.678 16.817 3.831 1.00 96.90 43 A 1 ATOM 326 C C . ALA A 1 43 ? -6.415 17.705 3.780 1.00 96.65 43 A 1 ATOM 327 O O . ALA A 1 43 ? -6.457 18.853 4.223 1.00 95.42 43 A 1 ATOM 328 C CB . ALA A 1 43 ? -7.803 16.115 5.190 1.00 96.21 43 A 1 ATOM 329 N N . GLY A 1 44 ? -5.324 17.212 3.218 1.00 96.99 44 A 1 ATOM 330 C CA . GLY A 1 44 ? -4.085 17.953 2.955 1.00 96.25 44 A 1 ATOM 331 C C . GLY A 1 44 ? -4.072 18.742 1.649 1.00 96.23 44 A 1 ATOM 332 O O . GLY A 1 44 ? -3.079 19.426 1.379 1.00 94.88 44 A 1 ATOM 333 N N . GLY A 1 45 ? -5.134 18.676 0.834 1.00 96.29 45 A 1 ATOM 334 C CA . GLY A 1 45 ? -5.302 19.426 -0.410 1.00 95.79 45 A 1 ATOM 335 C C . GLY A 1 45 ? -5.007 18.643 -1.691 1.00 96.19 45 A 1 ATOM 336 O O . GLY A 1 45 ? -5.020 19.236 -2.764 1.00 94.78 45 A 1 ATOM 337 N N . GLU A 1 46 ? -4.757 17.335 -1.614 1.00 96.96 46 A 1 ATOM 338 C CA . GLU A 1 46 ? -4.617 16.501 -2.811 1.00 97.01 46 A 1 ATOM 339 C C . GLU A 1 46 ? -5.965 16.267 -3.489 1.00 97.47 46 A 1 ATOM 340 O O . GLU A 1 46 ? -7.010 16.208 -2.840 1.00 97.29 46 A 1 ATOM 341 C CB . GLU A 1 46 ? -3.989 15.145 -2.474 1.00 96.44 46 A 1 ATOM 342 C CG . GLU A 1 46 ? -2.556 15.234 -1.962 1.00 88.54 46 A 1 ATOM 343 C CD . GLU A 1 46 ? -1.531 15.721 -2.993 1.00 89.56 46 A 1 ATOM 344 O OE1 . GLU A 1 46 ? -0.381 15.961 -2.561 1.00 84.42 46 A 1 ATOM 345 O OE2 . GLU A 1 46 ? -1.860 15.824 -4.187 1.00 85.14 46 A 1 ATOM 346 N N . THR A 1 47 ? -5.939 16.059 -4.798 1.00 97.27 47 A 1 ATOM 347 C CA . THR A 1 47 ? -7.127 15.561 -5.501 1.00 97.42 47 A 1 ATOM 348 C C . THR A 1 47 ? -7.347 14.086 -5.159 1.00 97.53 47 A 1 ATOM 349 O O . THR A 1 47 ? -6.406 13.346 -4.865 1.00 97.49 47 A 1 ATOM 350 C CB . THR A 1 47 ? -7.059 15.756 -7.023 1.00 97.11 47 A 1 ATOM 351 O OG1 . THR A 1 47 ? -6.196 14.831 -7.626 1.00 92.94 47 A 1 ATOM 352 C CG2 . THR A 1 47 ? -6.628 17.164 -7.436 1.00 91.38 47 A 1 ATOM 353 N N . TYR A 1 48 ? -8.588 13.630 -5.257 1.00 98.01 48 A 1 ATOM 354 C CA . TYR A 1 48 ? -8.893 12.218 -5.062 1.00 98.07 48 A 1 ATOM 355 C C . TYR A 1 48 ? -8.099 11.313 -6.013 1.00 98.10 48 A 1 ATOM 356 O O . TYR A 1 48 ? -7.582 10.278 -5.600 1.00 98.01 48 A 1 ATOM 357 C CB . TYR A 1 48 ? -10.395 11.989 -5.247 1.00 97.60 48 A 1 ATOM 358 C CG . TYR A 1 48 ? -10.787 10.531 -5.127 1.00 96.56 48 A 1 ATOM 359 C CD1 . TYR A 1 48 ? -10.942 9.737 -6.283 1.00 95.07 48 A 1 ATOM 360 C CD2 . TYR A 1 48 ? -10.944 9.944 -3.860 1.00 95.01 48 A 1 ATOM 361 C CE1 . TYR A 1 48 ? -11.260 8.375 -6.166 1.00 93.68 48 A 1 ATOM 362 C CE2 . TYR A 1 48 ? -11.257 8.588 -3.738 1.00 93.63 48 A 1 ATOM 363 C CZ . TYR A 1 48 ? -11.414 7.808 -4.894 1.00 93.18 48 A 1 ATOM 364 O OH . TYR A 1 48 ? -11.720 6.468 -4.777 1.00 91.20 48 A 1 ATOM 365 N N . SER A 1 49 ? -7.963 11.732 -7.283 1.00 98.34 49 A 1 ATOM 366 C CA . SER A 1 49 ? -7.252 10.954 -8.303 1.00 98.27 49 A 1 ATOM 367 C C . SER A 1 49 ? -5.768 10.786 -7.969 1.00 98.23 49 A 1 ATOM 368 O O . SER A 1 49 ? -5.252 9.674 -8.063 1.00 97.94 49 A 1 ATOM 369 C CB . SER A 1 49 ? -7.397 11.615 -9.668 1.00 97.68 49 A 1 ATOM 370 O OG . SER A 1 49 ? -8.765 11.628 -10.048 1.00 81.94 49 A 1 ATOM 371 N N . ASP A 1 50 ? -5.101 11.850 -7.521 1.00 97.90 50 A 1 ATOM 372 C CA . ASP A 1 50 ? -3.689 11.781 -7.136 1.00 97.74 50 A 1 ATOM 373 C C . ASP A 1 50 ? -3.514 10.981 -5.841 1.00 97.98 50 A 1 ATOM 374 O O . ASP A 1 50 ? -2.649 10.102 -5.753 1.00 97.75 50 A 1 ATOM 375 C CB . ASP A 1 50 ? -3.117 13.197 -6.993 1.00 97.23 50 A 1 ATOM 376 C CG . ASP A 1 50 ? -3.146 13.971 -8.307 1.00 94.72 50 A 1 ATOM 377 O OD1 . ASP A 1 50 ? -2.873 13.356 -9.362 1.00 92.33 50 A 1 ATOM 378 O OD2 . ASP A 1 50 ? -3.502 15.166 -8.255 1.00 91.72 50 A 1 ATOM 379 N N . ALA A 1 51 ? -4.376 11.207 -4.860 1.00 98.19 51 A 1 ATOM 380 C CA . ALA A 1 51 ? -4.345 10.506 -3.590 1.00 98.19 51 A 1 ATOM 381 C C . ALA A 1 51 ? -4.529 8.987 -3.763 1.00 98.19 51 A 1 ATOM 382 O O . ALA A 1 51 ? -3.759 8.197 -3.208 1.00 98.15 51 A 1 ATOM 383 C CB . ALA A 1 51 ? -5.422 11.111 -2.685 1.00 98.16 51 A 1 ATOM 384 N N . ILE A 1 52 ? -5.509 8.570 -4.570 1.00 98.45 52 A 1 ATOM 385 C CA . ILE A 1 52 ? -5.750 7.147 -4.818 1.00 98.24 52 A 1 ATOM 386 C C . ILE A 1 52 ? -4.592 6.507 -5.594 1.00 98.28 52 A 1 ATOM 387 O O . ILE A 1 52 ? -4.215 5.378 -5.280 1.00 97.87 52 A 1 ATOM 388 C CB . ILE A 1 52 ? -7.122 6.909 -5.495 1.00 97.41 52 A 1 ATOM 389 C CG1 . ILE A 1 52 ? -7.583 5.443 -5.430 1.00 93.72 52 A 1 ATOM 390 C CG2 . ILE A 1 52 ? -7.144 7.343 -6.968 1.00 91.09 52 A 1 ATOM 391 C CD1 . ILE A 1 52 ? -7.881 4.950 -4.023 1.00 83.20 52 A 1 ATOM 392 N N . ALA A 1 53 ? -4.004 7.223 -6.550 1.00 98.31 53 A 1 ATOM 393 C CA . ALA A 1 53 ? -2.866 6.732 -7.320 1.00 98.38 53 A 1 ATOM 394 C C . ALA A 1 53 ? -1.631 6.516 -6.423 1.00 98.16 53 A 1 ATOM 395 O O . ALA A 1 53 ? -1.056 5.427 -6.422 1.00 97.88 53 A 1 ATOM 396 C CB . ALA A 1 53 ? -2.570 7.713 -8.471 1.00 98.16 53 A 1 ATOM 397 N N . MET A 1 54 ? -1.282 7.499 -5.600 1.00 98.10 54 A 1 ATOM 398 C CA . MET A 1 54 ? -0.155 7.400 -4.669 1.00 98.06 54 A 1 ATOM 399 C C . MET A 1 54 ? -0.354 6.300 -3.624 1.00 98.07 54 A 1 ATOM 400 O O . MET A 1 54 ? 0.552 5.497 -3.370 1.00 97.77 54 A 1 ATOM 401 C CB . MET A 1 54 ? 0.055 8.742 -3.956 1.00 97.88 54 A 1 ATOM 402 C CG . MET A 1 54 ? 0.622 9.816 -4.884 1.00 96.29 54 A 1 ATOM 403 S SD . MET A 1 54 ? 1.109 11.318 -3.994 1.00 93.62 54 A 1 ATOM 404 C CE . MET A 1 54 ? -0.506 12.092 -3.733 1.00 83.64 54 A 1 ATOM 405 N N . ALA A 1 55 ? -1.545 6.207 -3.044 1.00 98.47 55 A 1 ATOM 406 C CA . ALA A 1 55 ? -1.851 5.166 -2.071 1.00 98.36 55 A 1 ATOM 407 C C . ALA A 1 55 ? -1.811 3.771 -2.709 1.00 98.23 55 A 1 ATOM 408 O O . ALA A 1 55 ? -1.244 2.844 -2.130 1.00 97.84 55 A 1 ATOM 409 C CB . ALA A 1 55 ? -3.212 5.464 -1.444 1.00 98.33 55 A 1 ATOM 410 N N . HIS A 1 56 ? -2.356 3.627 -3.927 1.00 98.09 56 A 1 ATOM 411 C CA . HIS A 1 56 ? -2.340 2.356 -4.647 1.00 97.59 56 A 1 ATOM 412 C C . HIS A 1 56 ? -0.919 1.911 -4.994 1.00 97.66 56 A 1 ATOM 413 O O . HIS A 1 56 ? -0.580 0.744 -4.795 1.00 96.63 56 A 1 ATOM 414 C CB . HIS A 1 56 ? -3.210 2.465 -5.902 1.00 95.70 56 A 1 ATOM 415 C CG . HIS A 1 56 ? -3.389 1.133 -6.571 1.00 87.92 56 A 1 ATOM 416 N ND1 . HIS A 1 56 ? -4.284 0.152 -6.180 1.00 76.88 56 A 1 ATOM 417 C CD2 . HIS A 1 56 ? -2.685 0.612 -7.628 1.00 77.17 56 A 1 ATOM 418 C CE1 . HIS A 1 56 ? -4.121 -0.903 -6.984 1.00 76.10 56 A 1 ATOM 419 N NE2 . HIS A 1 56 ? -3.155 -0.672 -7.869 1.00 78.11 56 A 1 ATOM 420 N N . ASP A 1 57 ? -0.078 2.837 -5.445 1.00 97.13 57 A 1 ATOM 421 C CA . ASP A 1 57 ? 1.315 2.543 -5.769 1.00 96.88 57 A 1 ATOM 422 C C . ASP A 1 57 ? 2.117 2.068 -4.543 1.00 96.91 57 A 1 ATOM 423 O O . ASP A 1 57 ? 2.968 1.176 -4.651 1.00 96.10 57 A 1 ATOM 424 C CB . ASP A 1 57 ? 1.978 3.779 -6.398 1.00 96.14 57 A 1 ATOM 425 C CG . ASP A 1 57 ? 3.330 3.379 -6.960 1.00 84.20 57 A 1 ATOM 426 O OD1 . ASP A 1 57 ? 3.327 2.601 -7.954 1.00 81.56 57 A 1 ATOM 427 O OD2 . ASP A 1 57 ? 4.370 3.734 -6.383 1.00 79.89 57 A 1 ATOM 428 N N . LEU A 1 58 ? 1.802 2.607 -3.367 1.00 97.69 58 A 1 ATOM 429 C CA . LEU A 1 58 ? 2.435 2.169 -2.133 1.00 97.65 58 A 1 ATOM 430 C C . LEU A 1 58 ? 1.975 0.769 -1.709 1.00 97.73 58 A 1 ATOM 431 O O . LEU A 1 58 ? 2.811 -0.084 -1.415 1.00 97.12 58 A 1 ATOM 432 C CB . LEU A 1 58 ? 2.177 3.220 -1.042 1.00 97.05 58 A 1 ATOM 433 C CG . LEU A 1 58 ? 2.882 2.903 0.291 1.00 92.37 58 A 1 ATOM 434 C CD1 . LEU A 1 58 ? 4.402 2.859 0.159 1.00 87.40 58 A 1 ATOM 435 C CD2 . LEU A 1 58 ? 2.534 3.979 1.309 1.00 86.89 58 A 1 ATOM 436 N N . ILE A 1 59 ? 0.670 0.517 -1.696 1.00 98.11 59 A 1 ATOM 437 C CA . ILE A 1 59 ? 0.112 -0.739 -1.161 1.00 97.87 59 A 1 ATOM 438 C C . ILE A 1 59 ? 0.297 -1.936 -2.091 1.00 97.78 59 A 1 ATOM 439 O O . ILE A 1 59 ? 0.226 -3.068 -1.619 1.00 97.19 59 A 1 ATOM 440 C CB . ILE A 1 59 ? -1.377 -0.613 -0.760 1.00 97.57 59 A 1 ATOM 441 C CG1 . ILE A 1 59 ? -2.289 -0.418 -1.987 1.00 96.16 59 A 1 ATOM 442 C CG2 . ILE A 1 59 ? -1.536 0.471 0.318 1.00 94.47 59 A 1 ATOM 443 C CD1 . ILE A 1 59 ? -3.771 -0.462 -1.668 1.00 95.20 59 A 1 ATOM 444 N N . LYS A 1 60 ? 0.533 -1.719 -3.389 1.00 96.85 60 A 1 ATOM 445 C CA . LYS A 1 60 ? 0.662 -2.819 -4.358 1.00 96.07 60 A 1 ATOM 446 C C . LYS A 1 60 ? 1.738 -3.839 -3.970 1.00 95.70 60 A 1 ATOM 447 O O . LYS A 1 60 ? 1.598 -5.015 -4.281 1.00 94.55 60 A 1 ATOM 448 C CB . LYS A 1 60 ? 0.892 -2.251 -5.775 1.00 94.39 60 A 1 ATOM 449 C CG . LYS A 1 60 ? 2.303 -1.699 -6.001 1.00 87.58 60 A 1 ATOM 450 C CD . LYS A 1 60 ? 2.443 -1.010 -7.362 1.00 86.69 60 A 1 ATOM 451 C CE . LYS A 1 60 ? 3.902 -0.580 -7.561 1.00 77.40 60 A 1 ATOM 452 N NZ . LYS A 1 60 ? 4.093 0.201 -8.804 1.00 71.20 60 A 1 ATOM 453 N N . LYS A 1 61 ? 2.769 -3.420 -3.247 1.00 95.75 61 A 1 ATOM 454 C CA . LYS A 1 61 ? 3.875 -4.266 -2.774 1.00 95.24 61 A 1 ATOM 455 C C . LYS A 1 61 ? 3.424 -5.304 -1.738 1.00 96.33 61 A 1 ATOM 456 O O . LYS A 1 61 ? 4.049 -6.350 -1.626 1.00 95.40 61 A 1 ATOM 457 C CB . LYS A 1 61 ? 4.992 -3.411 -2.139 1.00 92.42 61 A 1 ATOM 458 C CG . LYS A 1 61 ? 5.131 -2.007 -2.693 1.00 82.82 61 A 1 ATOM 459 C CD . LYS A 1 61 ? 6.228 -1.226 -1.985 1.00 82.00 61 A 1 ATOM 460 C CE . LYS A 1 61 ? 6.107 0.241 -2.349 1.00 71.54 61 A 1 ATOM 461 N NZ . LYS A 1 61 ? 7.139 1.070 -1.705 1.00 65.73 61 A 1 ATOM 462 N N . TYR A 1 62 ? 2.357 -5.003 -1.007 1.00 97.36 62 A 1 ATOM 463 C CA . TYR A 1 62 ? 1.813 -5.870 0.033 1.00 97.47 62 A 1 ATOM 464 C C . TYR A 1 62 ? 0.658 -6.732 -0.467 1.00 97.27 62 A 1 ATOM 465 O O . TYR A 1 62 ? 0.103 -7.544 0.281 1.00 96.07 62 A 1 ATOM 466 C CB . TYR A 1 62 ? 1.360 -5.007 1.215 1.00 97.50 62 A 1 ATOM 467 C CG . TYR A 1 62 ? 2.418 -4.082 1.750 1.00 97.68 62 A 1 ATOM 468 C CD1 . TYR A 1 62 ? 3.401 -4.543 2.654 1.00 96.85 62 A 1 ATOM 469 C CD2 . TYR A 1 62 ? 2.442 -2.733 1.347 1.00 96.88 62 A 1 ATOM 470 C CE1 . TYR A 1 62 ? 4.381 -3.681 3.148 1.00 95.96 62 A 1 ATOM 471 C CE2 . TYR A 1 62 ? 3.428 -1.854 1.837 1.00 96.12 62 A 1 ATOM 472 C CZ . TYR A 1 62 ? 4.390 -2.331 2.739 1.00 96.19 62 A 1 ATOM 473 O OH . TYR A 1 62 ? 5.340 -1.468 3.211 1.00 95.04 62 A 1 ATOM 474 N N . ARG A 1 63 ? 0.245 -6.550 -1.722 1.00 95.52 63 A 1 ATOM 475 C CA . ARG A 1 63 ? -0.799 -7.365 -2.321 1.00 93.76 63 A 1 ATOM 476 C C . ARG A 1 63 ? -0.220 -8.708 -2.745 1.00 92.09 63 A 1 ATOM 477 O O . ARG A 1 63 ? 0.913 -8.789 -3.203 1.00 88.54 63 A 1 ATOM 478 C CB . ARG A 1 63 ? -1.453 -6.596 -3.476 1.00 91.72 63 A 1 ATOM 479 C CG . ARG A 1 63 ? -2.742 -7.255 -3.957 1.00 84.57 63 A 1 ATOM 480 C CD . ARG A 1 63 ? -3.464 -6.397 -5.004 1.00 83.08 63 A 1 ATOM 481 N NE . ARG A 1 63 ? -4.028 -5.158 -4.429 1.00 76.92 63 A 1 ATOM 482 C CZ . ARG A 1 63 ? -5.199 -5.010 -3.826 1.00 72.65 63 A 1 ATOM 483 N NH1 . ARG A 1 63 ? -6.012 -6.018 -3.649 1.00 67.18 63 A 1 ATOM 484 N NH2 . ARG A 1 63 ? -5.582 -3.842 -3.395 1.00 66.19 63 A 1 ATOM 485 N N . LYS A 1 64 ? -1.023 -9.771 -2.631 1.00 89.02 64 A 1 ATOM 486 C CA . LYS A 1 64 ? -0.646 -11.085 -3.141 1.00 85.82 64 A 1 ATOM 487 C C . LYS A 1 64 ? -0.302 -10.979 -4.626 1.00 83.23 64 A 1 ATOM 488 O O . LYS A 1 64 ? -1.134 -10.570 -5.433 1.00 74.75 64 A 1 ATOM 489 C CB . LYS A 1 64 ? -1.757 -12.119 -2.923 1.00 80.84 64 A 1 ATOM 490 C CG . LYS A 1 64 ? -1.929 -12.457 -1.433 1.00 72.53 64 A 1 ATOM 491 C CD . LYS A 1 64 ? -2.972 -13.551 -1.235 1.00 69.71 64 A 1 ATOM 492 C CE . LYS A 1 64 ? -3.091 -13.856 0.258 1.00 60.21 64 A 1 ATOM 493 N NZ . LYS A 1 64 ? -4.084 -14.923 0.529 1.00 54.26 64 A 1 ATOM 494 N N . GLN A 1 65 ? 0.913 -11.366 -4.970 1.00 80.54 65 A 1 ATOM 495 C CA . GLN A 1 65 ? 1.347 -11.506 -6.342 1.00 76.27 65 A 1 ATOM 496 C C . GLN A 1 65 ? 1.106 -12.948 -6.772 1.00 74.19 65 A 1 ATOM 497 O O . GLN A 1 65 ? 1.497 -13.882 -6.077 1.00 64.59 65 A 1 ATOM 498 C CB . GLN A 1 65 ? 2.817 -11.096 -6.474 1.00 69.99 65 A 1 ATOM 499 C CG . GLN A 1 65 ? 3.010 -9.597 -6.169 1.00 61.97 65 A 1 ATOM 500 C CD . GLN A 1 65 ? 4.469 -9.139 -6.323 1.00 57.76 65 A 1 ATOM 501 O OE1 . GLN A 1 65 ? 5.384 -9.930 -6.423 1.00 53.04 65 A 1 ATOM 502 N NE2 . GLN A 1 65 ? 4.699 -7.854 -6.343 1.00 50.69 65 A 1 ATOM 503 N N . SER A 1 66 ? 0.462 -13.119 -7.919 1.00 71.05 66 A 1 ATOM 504 C CA . SER A 1 66 ? 0.281 -14.425 -8.553 1.00 69.50 66 A 1 ATOM 505 C C . SER A 1 66 ? 1.145 -14.455 -9.818 1.00 69.27 66 A 1 ATOM 506 O O . SER A 1 66 ? 0.666 -14.067 -10.887 1.00 63.52 66 A 1 ATOM 507 C CB . SER A 1 66 ? -1.192 -14.681 -8.865 1.00 63.55 66 A 1 ATOM 508 O OG . SER A 1 66 ? -1.953 -14.665 -7.678 1.00 56.28 66 A 1 ATOM 509 N N . PRO A 1 67 ? 2.428 -14.834 -9.725 1.00 68.78 67 A 1 ATOM 510 C CA . PRO A 1 67 ? 3.265 -14.951 -10.901 1.00 69.76 67 A 1 ATOM 511 C C . PRO A 1 67 ? 2.680 -16.023 -11.818 1.00 71.99 67 A 1 ATOM 512 O O . PRO A 1 67 ? 2.436 -17.163 -11.393 1.00 67.19 67 A 1 ATOM 513 C CB . PRO A 1 67 ? 4.662 -15.297 -10.385 1.00 64.64 67 A 1 ATOM 514 C CG . PRO A 1 67 ? 4.402 -15.966 -9.043 1.00 63.73 67 A 1 ATOM 515 C CD . PRO A 1 67 ? 3.138 -15.266 -8.536 1.00 67.95 67 A 1 ATOM 516 N N . ALA A 1 68 ? 2.444 -15.677 -13.074 1.00 68.71 68 A 1 ATOM 517 C CA . ALA A 1 68 ? 1.992 -16.629 -14.062 1.00 70.15 68 A 1 ATOM 518 C C . ALA A 1 68 ? 3.124 -17.622 -14.355 1.00 70.78 68 A 1 ATOM 519 O O . ALA A 1 68 ? 4.242 -17.237 -14.683 1.00 66.34 68 A 1 ATOM 520 C CB . ALA A 1 68 ? 1.526 -15.874 -15.308 1.00 65.86 68 A 1 ATOM 521 N N . ARG A 1 69 ? 2.816 -18.902 -14.241 1.00 71.06 69 A 1 ATOM 522 C CA . ARG A 1 69 ? 3.677 -19.989 -14.709 1.00 72.06 69 A 1 ATOM 523 C C . ARG A 1 69 ? 2.854 -20.842 -15.668 1.00 72.58 69 A 1 ATOM 524 O O . ARG A 1 69 ? 1.825 -21.367 -15.288 1.00 69.04 69 A 1 ATOM 525 C CB . ARG A 1 69 ? 4.224 -20.781 -13.506 1.00 68.25 69 A 1 ATOM 526 C CG . ARG A 1 69 ? 5.198 -21.865 -13.973 1.00 61.28 69 A 1 ATOM 527 C CD . ARG A 1 69 ? 5.788 -22.642 -12.789 1.00 60.43 69 A 1 ATOM 528 N NE . ARG A 1 69 ? 6.766 -21.818 -12.024 1.00 53.62 69 A 1 ATOM 529 C CZ . ARG A 1 69 ? 7.559 -22.275 -11.062 1.00 49.23 69 A 1 ATOM 530 N NH1 . ARG A 1 69 ? 7.532 -23.527 -10.695 1.00 46.07 69 A 1 ATOM 531 N NH2 . ARG A 1 69 ? 8.411 -21.479 -10.475 1.00 44.81 69 A 1 ATOM 532 N N . PHE A 1 70 ? 3.328 -20.947 -16.893 1.00 72.91 70 A 1 ATOM 533 C CA . PHE A 1 70 ? 2.656 -21.718 -17.929 1.00 74.20 70 A 1 ATOM 534 C C . PHE A 1 70 ? 3.262 -23.114 -18.005 1.00 76.13 70 A 1 ATOM 535 O O . PHE A 1 70 ? 4.480 -23.273 -17.888 1.00 70.36 70 A 1 ATOM 536 C CB . PHE A 1 70 ? 2.733 -20.964 -19.259 1.00 69.05 70 A 1 ATOM 537 C CG . PHE A 1 70 ? 2.146 -19.574 -19.178 1.00 65.00 70 A 1 ATOM 538 C CD1 . PHE A 1 70 ? 0.755 -19.400 -19.219 1.00 63.67 70 A 1 ATOM 539 C CD2 . PHE A 1 70 ? 2.972 -18.458 -19.015 1.00 60.79 70 A 1 ATOM 540 C CE1 . PHE A 1 70 ? 0.201 -18.117 -19.106 1.00 54.62 70 A 1 ATOM 541 C CE2 . PHE A 1 70 ? 2.417 -17.177 -18.897 1.00 55.24 70 A 1 ATOM 542 C CZ . PHE A 1 70 ? 1.035 -17.000 -18.948 1.00 52.26 70 A 1 ATOM 543 N N . ALA A 1 71 ? 2.431 -24.114 -18.188 1.00 73.00 71 A 1 ATOM 544 C CA . ALA A 1 71 ? 2.864 -25.434 -18.616 1.00 75.29 71 A 1 ATOM 545 C C . ALA A 1 71 ? 3.193 -25.405 -20.119 1.00 76.03 71 A 1 ATOM 546 O O . ALA A 1 71 ? 2.774 -24.491 -20.836 1.00 70.35 71 A 1 ATOM 547 C CB . ALA A 1 71 ? 1.785 -26.458 -18.254 1.00 70.93 71 A 1 ATOM 548 N N . GLY A 1 72 ? 3.941 -26.381 -20.589 1.00 71.35 72 A 1 ATOM 549 C CA . GLY A 1 72 ? 4.127 -26.570 -22.029 1.00 73.67 72 A 1 ATOM 550 C C . GLY A 1 72 ? 2.800 -26.917 -22.720 1.00 74.33 72 A 1 ATOM 551 O O . GLY A 1 72 ? 1.848 -27.303 -22.049 1.00 70.30 72 A 1 ATOM 552 N N . PRO A 1 73 ? 2.731 -26.757 -24.035 1.00 70.10 73 A 1 ATOM 553 C CA . PRO A 1 73 ? 1.558 -27.138 -24.822 1.00 73.73 73 A 1 ATOM 554 C C . PRO A 1 73 ? 1.327 -28.656 -24.836 1.00 74.15 73 A 1 ATOM 555 O O . PRO A 1 73 ? 2.286 -29.423 -24.635 1.00 68.42 73 A 1 ATOM 556 C CB . PRO A 1 73 ? 1.832 -26.586 -26.225 1.00 67.59 73 A 1 ATOM 557 C CG . PRO A 1 73 ? 3.347 -26.615 -26.322 1.00 70.26 73 A 1 ATOM 558 C CD . PRO A 1 73 ? 3.795 -26.302 -24.894 1.00 75.55 73 A 1 ATOM 559 O OXT . PRO A 1 73 ? 0.182 -29.052 -25.071 1.00 67.57 73 A 1 #