# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_acriia25 # _entry.id acriia25 # 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](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "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 ASN 3 1 n ARG 4 1 n LEU 5 1 n LEU 6 1 n GLY 7 1 n SER 8 1 n ARG 9 1 n TYR 10 1 n THR 11 1 n ASP 12 1 n ALA 13 1 n ILE 14 1 n LYS 15 1 n ASN 16 1 n ASP 17 1 n CYS 18 1 n GLY 19 1 n THR 20 1 n ALA 21 1 n ASN 22 1 n LYS 23 1 n MET 24 1 n SER 25 1 n ASN 26 1 n ILE 27 1 n TYR 28 1 n ASN 29 1 n LYS 30 1 n LEU 31 1 n ASN 32 1 n LYS 33 1 n ASP 34 1 n SER 35 1 n LEU 36 1 n ARG 37 1 n GLU 38 1 n ILE 39 1 n HIS 40 1 n SER 41 1 n ALA 42 1 n LEU 43 1 n TYR 44 1 n GLY 45 1 n LEU 46 1 n LEU 47 1 n THR 48 1 n ALA 49 1 n GLY 50 1 n TYR 51 1 n ASP 52 1 n ILE 53 1 n SER 54 1 n ASN 55 1 n MET 56 1 n ARG 57 1 n ASN 58 1 n ILE 59 1 n GLU 60 1 n GLU 61 1 n LEU 62 1 n GLU 63 1 n LYS 64 1 n TYR 65 1 n VAL 66 1 n ASN 67 1 n LEU 68 1 n LYS 69 1 n LYS 70 1 n SER 71 1 n ARG 72 1 n GLY 73 1 n GLN 74 1 n LEU 75 1 n LEU 76 1 n ASN 77 1 n VAL 78 1 n SER 79 1 n SER 80 1 n ASP 81 1 n ASP 82 1 n ILE 83 1 n LYS 84 1 n LEU 85 1 n TYR 86 1 n HIS 87 1 n LYS 88 1 n LEU 89 1 n PHE 90 1 n VAL 91 1 n ILE 92 1 n ARG 93 1 n PHE 94 1 n GLY 95 1 n LYS 96 # _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 (3.0.1 @ 2025-04-06 19:49:13)" _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 87.64 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 44.22 1 1 A LYS 2 2 45.82 1 2 A ASN 3 2 48.26 1 3 A ARG 4 2 44.50 1 4 A LEU 5 2 50.23 1 5 A LEU 6 2 47.76 1 6 A GLY 7 2 51.80 1 7 A SER 8 2 46.21 1 8 A ARG 9 2 36.25 1 9 A TYR 10 2 42.95 1 10 A THR 11 2 55.73 1 11 A ASP 12 2 75.97 1 12 A ALA 13 2 92.79 1 13 A ILE 14 2 95.75 1 14 A LYS 15 2 89.55 1 15 A ASN 16 2 90.47 1 16 A ASP 17 2 89.22 1 17 A CYS 18 2 90.34 1 18 A GLY 19 2 93.12 1 19 A THR 20 2 95.19 1 20 A ALA 21 2 94.83 1 21 A ASN 22 2 89.48 1 22 A LYS 23 2 92.74 1 23 A MET 24 2 96.41 1 24 A SER 25 2 93.83 1 25 A ASN 26 2 88.91 1 26 A ILE 27 2 97.25 1 27 A TYR 28 2 93.77 1 28 A ASN 29 2 93.06 1 29 A LYS 30 2 90.39 1 30 A LEU 31 2 95.98 1 31 A ASN 32 2 88.96 1 32 A LYS 33 2 89.65 1 33 A ASP 34 2 93.61 1 34 A SER 35 2 96.77 1 35 A LEU 36 2 97.74 1 36 A ARG 37 2 92.68 1 37 A GLU 38 2 91.58 1 38 A ILE 39 2 98.12 1 39 A HIS 40 2 96.21 1 40 A SER 41 2 95.00 1 41 A ALA 42 2 97.85 1 42 A LEU 43 2 96.90 1 43 A TYR 44 2 88.15 1 44 A GLY 45 2 96.92 1 45 A LEU 46 2 96.59 1 46 A LEU 47 2 95.19 1 47 A THR 48 2 93.42 1 48 A ALA 49 2 97.12 1 49 A GLY 50 2 96.66 1 50 A TYR 51 2 93.32 1 51 A ASP 52 2 94.83 1 52 A ILE 53 2 97.11 1 53 A SER 54 2 95.64 1 54 A ASN 55 2 91.63 1 55 A MET 56 2 95.93 1 56 A ARG 57 2 92.12 1 57 A ASN 58 2 90.95 1 58 A ILE 59 2 95.41 1 59 A GLU 60 2 91.60 1 60 A GLU 61 2 91.84 1 61 A LEU 62 2 97.88 1 62 A GLU 63 2 89.65 1 63 A LYS 64 2 89.74 1 64 A TYR 65 2 96.04 1 65 A VAL 66 2 97.86 1 66 A ASN 67 2 94.32 1 67 A LEU 68 2 93.62 1 68 A LYS 69 2 92.37 1 69 A LYS 70 2 95.94 1 70 A SER 71 2 96.53 1 71 A ARG 72 2 86.55 1 72 A GLY 73 2 96.92 1 73 A GLN 74 2 91.83 1 74 A LEU 75 2 96.25 1 75 A LEU 76 2 95.16 1 76 A ASN 77 2 89.84 1 77 A VAL 78 2 97.45 1 78 A SER 79 2 97.38 1 79 A SER 80 2 94.63 1 80 A ASP 81 2 94.05 1 81 A ASP 82 2 97.43 1 82 A ILE 83 2 97.70 1 83 A LYS 84 2 91.58 1 84 A LEU 85 2 93.43 1 85 A TYR 86 2 98.01 1 86 A HIS 87 2 95.45 1 87 A LYS 88 2 88.92 1 88 A LEU 89 2 96.29 1 89 A PHE 90 2 97.22 1 90 A VAL 91 2 94.22 1 91 A ILE 92 2 94.28 1 92 A ARG 93 2 84.87 1 93 A PHE 94 2 95.56 1 94 A GLY 95 2 93.11 1 95 A LYS 96 2 78.30 1 96 # _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 https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use 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 ASN . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ASN . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n MET . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n ILE . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n LEU . 31 A 31 A 32 1 n ASN . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n HIS . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n TYR . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n THR . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n GLY . 50 A 50 A 51 1 n TYR . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n ILE . 53 A 53 A 54 1 n SER . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n MET . 56 A 56 A 57 1 n ARG . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n GLU . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n ASN . 67 A 67 A 68 1 n LEU . 68 A 68 A 69 1 n LYS . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n SER . 71 A 71 A 72 1 n ARG . 72 A 72 A 73 1 n GLY . 73 A 73 A 74 1 n GLN . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n LEU . 76 A 76 A 77 1 n ASN . 77 A 77 A 78 1 n VAL . 78 A 78 A 79 1 n SER . 79 A 79 A 80 1 n SER . 80 A 80 A 81 1 n ASP . 81 A 81 A 82 1 n ASP . 82 A 82 A 83 1 n ILE . 83 A 83 A 84 1 n LYS . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n TYR . 86 A 86 A 87 1 n HIS . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n LEU . 89 A 89 A 90 1 n PHE . 90 A 90 A 91 1 n VAL . 91 A 91 A 92 1 n ILE . 92 A 92 A 93 1 n ARG . 93 A 93 A 94 1 n PHE . 94 A 94 A 95 1 n GLY . 95 A 95 A 96 1 n LYS . 96 A 96 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? -19.577 -35.574 10.015 1.00 37.09 1 A 1 ATOM 2 C CA . MET A 1 1 ? -18.971 -34.267 10.361 1.00 47.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.300 -33.718 9.112 1.00 51.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.439 -34.388 8.568 1.00 49.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.939 -34.420 11.487 1.00 46.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.597 -34.750 12.834 1.00 43.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.373 -35.003 14.143 1.00 41.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.075 -36.432 14.991 1.00 36.33 1 A 1 ATOM 9 N N . LYS A 1 2 ? -18.738 -32.561 8.599 1.00 47.74 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -18.028 -31.910 7.485 1.00 51.53 2 A 1 ATOM 11 C C . LYS A 1 2 ? -16.683 -31.432 8.036 1.00 52.00 2 A 1 ATOM 12 O O . LYS A 1 2 ? -16.677 -30.546 8.891 1.00 48.62 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -18.849 -30.748 6.886 1.00 50.58 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -20.005 -31.224 5.984 1.00 45.82 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -20.781 -30.047 5.362 1.00 43.01 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -21.887 -30.564 4.428 1.00 38.06 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -22.699 -29.478 3.818 1.00 35.06 2 A 1 ATOM 18 N N . ASN A 1 3 ? -15.594 -32.040 7.598 1.00 50.23 3 A 1 ATOM 19 C CA . ASN A 1 3 ? -14.254 -31.560 7.924 1.00 52.54 3 A 1 ATOM 20 C C . ASN A 1 3 ? -14.164 -30.101 7.462 1.00 52.42 3 A 1 ATOM 21 O O . ASN A 1 3 ? -14.163 -29.817 6.265 1.00 49.93 3 A 1 ATOM 22 C CB . ASN A 1 3 ? -13.178 -32.456 7.262 1.00 50.84 3 A 1 ATOM 23 C CG . ASN A 1 3 ? -12.559 -33.472 8.213 1.00 45.10 3 A 1 ATOM 24 O OD1 . ASN A 1 3 ? -12.729 -33.412 9.415 1.00 42.75 3 A 1 ATOM 25 N ND2 . ASN A 1 3 ? -11.812 -34.425 7.696 1.00 42.27 3 A 1 ATOM 26 N N . ARG A 1 4 ? -14.184 -29.171 8.412 1.00 49.84 4 A 1 ATOM 27 C CA . ARG A 1 4 ? -13.858 -27.775 8.114 1.00 52.44 4 A 1 ATOM 28 C C . ARG A 1 4 ? -12.400 -27.783 7.674 1.00 52.10 4 A 1 ATOM 29 O O . ARG A 1 4 ? -11.549 -28.213 8.448 1.00 50.21 4 A 1 ATOM 30 C CB . ARG A 1 4 ? -14.084 -26.869 9.340 1.00 50.80 4 A 1 ATOM 31 C CG . ARG A 1 4 ? -15.575 -26.603 9.605 1.00 46.07 4 A 1 ATOM 32 C CD . ARG A 1 4 ? -15.748 -25.661 10.805 1.00 43.72 4 A 1 ATOM 33 N NE . ARG A 1 4 ? -17.167 -25.317 11.041 1.00 39.86 4 A 1 ATOM 34 C CZ . ARG A 1 4 ? -17.637 -24.581 12.045 1.00 36.19 4 A 1 ATOM 35 N NH1 . ARG A 1 4 ? -16.854 -24.078 12.957 1.00 35.15 4 A 1 ATOM 36 N NH2 . ARG A 1 4 ? -18.916 -24.343 12.147 1.00 33.10 4 A 1 ATOM 37 N N . LEU A 1 5 ? -12.158 -27.369 6.437 1.00 52.33 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -10.804 -27.160 5.938 1.00 53.86 5 A 1 ATOM 39 C C . LEU A 1 5 ? -10.064 -26.285 6.956 1.00 53.73 5 A 1 ATOM 40 O O . LEU A 1 5 ? -10.518 -25.178 7.277 1.00 51.10 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -10.862 -26.490 4.553 1.00 52.01 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -11.276 -27.447 3.416 1.00 47.66 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -11.795 -26.664 2.212 1.00 45.53 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -10.095 -28.303 2.951 1.00 45.66 5 A 1 ATOM 45 N N . LEU A 1 6 ? -8.992 -26.840 7.521 1.00 50.38 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -8.082 -26.097 8.379 1.00 50.81 6 A 1 ATOM 47 C C . LEU A 1 6 ? -7.370 -25.065 7.500 1.00 50.63 6 A 1 ATOM 48 O O . LEU A 1 6 ? -6.746 -25.428 6.504 1.00 47.30 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -7.094 -27.076 9.047 1.00 49.60 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -7.719 -27.927 10.173 1.00 45.13 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -6.857 -29.162 10.451 1.00 43.52 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -7.837 -27.131 11.475 1.00 44.72 6 A 1 ATOM 53 N N . GLY A 1 7 ? -7.505 -23.787 7.861 1.00 51.38 7 A 1 ATOM 54 C CA . GLY A 1 7 ? -6.882 -22.678 7.134 1.00 52.13 7 A 1 ATOM 55 C C . GLY A 1 7 ? -7.891 -21.635 6.645 1.00 52.80 7 A 1 ATOM 56 O O . GLY A 1 7 ? -9.106 -21.861 6.628 1.00 50.87 7 A 1 ATOM 57 N N . SER A 1 8 ? -7.372 -20.474 6.252 1.00 47.82 8 A 1 ATOM 58 C CA . SER A 1 8 ? -8.181 -19.417 5.646 1.00 48.20 8 A 1 ATOM 59 C C . SER A 1 8 ? -8.729 -19.901 4.299 1.00 48.20 8 A 1 ATOM 60 O O . SER A 1 8 ? -7.984 -20.377 3.450 1.00 45.57 8 A 1 ATOM 61 C CB . SER A 1 8 ? -7.363 -18.134 5.461 1.00 45.89 8 A 1 ATOM 62 O OG . SER A 1 8 ? -8.213 -17.143 4.921 1.00 41.60 8 A 1 ATOM 63 N N . ARG A 1 9 ? -10.061 -19.793 4.111 1.00 43.08 9 A 1 ATOM 64 C CA . ARG A 1 9 ? -10.706 -20.131 2.827 1.00 44.08 9 A 1 ATOM 65 C C . ARG A 1 9 ? -10.440 -19.090 1.744 1.00 45.00 9 A 1 ATOM 66 O O . ARG A 1 9 ? -10.643 -19.383 0.573 1.00 42.85 9 A 1 ATOM 67 C CB . ARG A 1 9 ? -12.221 -20.294 3.019 1.00 41.26 9 A 1 ATOM 68 C CG . ARG A 1 9 ? -12.568 -21.552 3.814 1.00 36.80 9 A 1 ATOM 69 C CD . ARG A 1 9 ? -14.088 -21.687 3.876 1.00 34.04 9 A 1 ATOM 70 N NE . ARG A 1 9 ? -14.487 -22.897 4.610 1.00 30.48 9 A 1 ATOM 71 C CZ . ARG A 1 9 ? -15.732 -23.282 4.840 1.00 27.90 9 A 1 ATOM 72 N NH1 . ARG A 1 9 ? -16.753 -22.582 4.430 1.00 27.40 9 A 1 ATOM 73 N NH2 . ARG A 1 9 ? -15.961 -24.383 5.495 1.00 25.85 9 A 1 ATOM 74 N N . TYR A 1 10 ? -10.049 -17.902 2.143 1.00 50.07 10 A 1 ATOM 75 C CA . TYR A 1 10 ? -9.802 -16.758 1.280 1.00 50.65 10 A 1 ATOM 76 C C . TYR A 1 10 ? -8.400 -16.229 1.541 1.00 52.77 10 A 1 ATOM 77 O O . TYR A 1 10 ? -7.899 -16.289 2.667 1.00 50.63 10 A 1 ATOM 78 C CB . TYR A 1 10 ? -10.874 -15.693 1.521 1.00 47.23 10 A 1 ATOM 79 C CG . TYR A 1 10 ? -12.283 -16.208 1.316 1.00 43.69 10 A 1 ATOM 80 C CD1 . TYR A 1 10 ? -12.775 -16.417 0.015 1.00 39.95 10 A 1 ATOM 81 C CD2 . TYR A 1 10 ? -13.096 -16.519 2.423 1.00 39.67 10 A 1 ATOM 82 C CE1 . TYR A 1 10 ? -14.069 -16.926 -0.184 1.00 35.70 10 A 1 ATOM 83 C CE2 . TYR A 1 10 ? -14.392 -17.030 2.232 1.00 36.67 10 A 1 ATOM 84 C CZ . TYR A 1 10 ? -14.875 -17.231 0.926 1.00 35.46 10 A 1 ATOM 85 O OH . TYR A 1 10 ? -16.138 -17.731 0.730 1.00 32.95 10 A 1 ATOM 86 N N . THR A 1 11 ? -7.761 -15.737 0.489 1.00 59.07 11 A 1 ATOM 87 C CA . THR A 1 11 ? -6.481 -15.042 0.607 1.00 59.94 11 A 1 ATOM 88 C C . THR A 1 11 ? -6.728 -13.568 0.908 1.00 62.77 11 A 1 ATOM 89 O O . THR A 1 11 ? -7.609 -12.949 0.309 1.00 58.25 11 A 1 ATOM 90 C CB . THR A 1 11 ? -5.620 -15.249 -0.650 1.00 54.33 11 A 1 ATOM 91 O OG1 . THR A 1 11 ? -4.380 -14.605 -0.464 1.00 48.36 11 A 1 ATOM 92 C CG2 . THR A 1 11 ? -6.230 -14.733 -1.949 1.00 47.36 11 A 1 ATOM 93 N N . ASP A 1 12 ? -5.909 -13.005 1.800 1.00 80.68 12 A 1 ATOM 94 C CA . ASP A 1 12 ? -5.855 -11.558 2.028 1.00 85.57 12 A 1 ATOM 95 C C . ASP A 1 12 ? -4.904 -10.846 1.058 1.00 90.12 12 A 1 ATOM 96 O O . ASP A 1 12 ? -4.698 -9.639 1.163 1.00 88.56 12 A 1 ATOM 97 C CB . ASP A 1 12 ? -5.486 -11.282 3.490 1.00 78.51 12 A 1 ATOM 98 C CG . ASP A 1 12 ? -6.633 -11.617 4.439 1.00 67.41 12 A 1 ATOM 99 O OD1 . ASP A 1 12 ? -7.789 -11.319 4.062 1.00 58.24 12 A 1 ATOM 100 O OD2 . ASP A 1 12 ? -6.341 -12.156 5.526 1.00 58.65 12 A 1 ATOM 101 N N . ALA A 1 13 ? -4.332 -11.587 0.109 1.00 91.34 13 A 1 ATOM 102 C CA . ALA A 1 13 ? -3.384 -11.047 -0.855 1.00 93.12 13 A 1 ATOM 103 C C . ALA A 1 13 ? -4.001 -9.920 -1.696 1.00 94.22 13 A 1 ATOM 104 O O . ALA A 1 13 ? -5.160 -9.982 -2.115 1.00 93.20 13 A 1 ATOM 105 C CB . ALA A 1 13 ? -2.866 -12.185 -1.744 1.00 92.06 13 A 1 ATOM 106 N N . ILE A 1 14 ? -3.202 -8.905 -1.968 1.00 95.73 14 A 1 ATOM 107 C CA . ILE A 1 14 ? -3.541 -7.789 -2.853 1.00 96.28 14 A 1 ATOM 108 C C . ILE A 1 14 ? -2.602 -7.858 -4.056 1.00 96.32 14 A 1 ATOM 109 O O . ILE A 1 14 ? -1.479 -7.355 -4.024 1.00 95.98 14 A 1 ATOM 110 C CB . ILE A 1 14 ? -3.475 -6.436 -2.116 1.00 96.34 14 A 1 ATOM 111 C CG1 . ILE A 1 14 ? -4.387 -6.426 -0.867 1.00 95.43 14 A 1 ATOM 112 C CG2 . ILE A 1 14 ? -3.881 -5.308 -3.079 1.00 95.50 14 A 1 ATOM 113 C CD1 . ILE A 1 14 ? -4.265 -5.149 -0.023 1.00 94.46 14 A 1 ATOM 114 N N . LYS A 1 15 ? -3.071 -8.503 -5.114 1.00 95.88 15 A 1 ATOM 115 C CA . LYS A 1 15 ? -2.330 -8.715 -6.362 1.00 95.64 15 A 1 ATOM 116 C C . LYS A 1 15 ? -2.983 -7.967 -7.521 1.00 95.33 15 A 1 ATOM 117 O O . LYS A 1 15 ? -4.086 -7.427 -7.382 1.00 93.72 15 A 1 ATOM 118 C CB . LYS A 1 15 ? -2.211 -10.218 -6.645 1.00 94.73 15 A 1 ATOM 119 C CG . LYS A 1 15 ? -1.356 -10.926 -5.583 1.00 91.35 15 A 1 ATOM 120 C CD . LYS A 1 15 ? -1.086 -12.377 -5.976 1.00 87.53 15 A 1 ATOM 121 C CE . LYS A 1 15 ? -0.191 -13.023 -4.919 1.00 80.49 15 A 1 ATOM 122 N NZ . LYS A 1 15 ? 0.201 -14.406 -5.291 1.00 71.26 15 A 1 ATOM 123 N N . ASN A 1 16 ? -2.304 -7.937 -8.658 1.00 95.18 16 A 1 ATOM 124 C CA . ASN A 1 16 ? -2.793 -7.279 -9.866 1.00 94.70 16 A 1 ATOM 125 C C . ASN A 1 16 ? -3.937 -8.077 -10.521 1.00 93.99 16 A 1 ATOM 126 O O . ASN A 1 16 ? -3.727 -8.836 -11.462 1.00 91.05 16 A 1 ATOM 127 C CB . ASN A 1 16 ? -1.614 -7.043 -10.820 1.00 93.11 16 A 1 ATOM 128 C CG . ASN A 1 16 ? -1.993 -6.135 -11.981 1.00 90.06 16 A 1 ATOM 129 O OD1 . ASN A 1 16 ? -2.926 -5.359 -11.922 1.00 83.17 16 A 1 ATOM 130 N ND2 . ASN A 1 16 ? -1.243 -6.188 -13.061 1.00 82.46 16 A 1 ATOM 131 N N . ASP A 1 17 ? -5.147 -7.898 -9.998 1.00 93.95 17 A 1 ATOM 132 C CA . ASP A 1 17 ? -6.393 -8.423 -10.552 1.00 93.36 17 A 1 ATOM 133 C C . ASP A 1 17 ? -7.420 -7.293 -10.753 1.00 94.12 17 A 1 ATOM 134 O O . ASP A 1 17 ? -7.242 -6.160 -10.285 1.00 92.81 17 A 1 ATOM 135 C CB . ASP A 1 17 ? -6.920 -9.569 -9.661 1.00 90.64 17 A 1 ATOM 136 C CG . ASP A 1 17 ? -7.347 -9.110 -8.268 1.00 85.80 17 A 1 ATOM 137 O OD1 . ASP A 1 17 ? -8.228 -8.222 -8.185 1.00 80.93 17 A 1 ATOM 138 O OD2 . ASP A 1 17 ? -6.817 -9.641 -7.272 1.00 82.19 17 A 1 ATOM 139 N N . CYS A 1 18 ? -8.522 -7.581 -11.457 1.00 93.30 18 A 1 ATOM 140 C CA . CYS A 1 18 ? -9.557 -6.583 -11.756 1.00 93.44 18 A 1 ATOM 141 C C . CYS A 1 18 ? -10.176 -5.954 -10.495 1.00 93.90 18 A 1 ATOM 142 O O . CYS A 1 18 ? -10.514 -4.768 -10.484 1.00 91.89 18 A 1 ATOM 143 C CB . CYS A 1 18 ? -10.666 -7.248 -12.594 1.00 91.22 18 A 1 ATOM 144 S SG . CYS A 1 18 ? -10.019 -7.788 -14.198 1.00 78.27 18 A 1 ATOM 145 N N . GLY A 1 19 ? -10.331 -6.733 -9.416 1.00 92.54 19 A 1 ATOM 146 C CA . GLY A 1 19 ? -10.858 -6.239 -8.143 1.00 92.36 19 A 1 ATOM 147 C C . GLY A 1 19 ? -9.908 -5.239 -7.486 1.00 94.15 19 A 1 ATOM 148 O O . GLY A 1 19 ? -10.334 -4.154 -7.067 1.00 93.44 19 A 1 ATOM 149 N N . THR A 1 20 ? -8.626 -5.567 -7.460 1.00 94.81 20 A 1 ATOM 150 C CA . THR A 1 20 ? -7.563 -4.690 -6.970 1.00 95.87 20 A 1 ATOM 151 C C . THR A 1 20 ? -7.433 -3.439 -7.833 1.00 96.45 20 A 1 ATOM 152 O O . THR A 1 20 ? -7.417 -2.335 -7.286 1.00 96.40 20 A 1 ATOM 153 C CB . THR A 1 20 ? -6.233 -5.448 -6.891 1.00 95.62 20 A 1 ATOM 154 O OG1 . THR A 1 20 ? -6.370 -6.494 -5.956 1.00 93.48 20 A 1 ATOM 155 C CG2 . THR A 1 20 ? -5.094 -4.562 -6.399 1.00 93.68 20 A 1 ATOM 156 N N . ALA A 1 21 ? -7.445 -3.563 -9.155 1.00 95.14 21 A 1 ATOM 157 C CA . ALA A 1 21 ? -7.376 -2.428 -10.077 1.00 94.88 21 A 1 ATOM 158 C C . ALA A 1 21 ? -8.520 -1.421 -9.839 1.00 95.47 21 A 1 ATOM 159 O O . ALA A 1 21 ? -8.283 -0.218 -9.721 1.00 95.09 21 A 1 ATOM 160 C CB . ALA A 1 21 ? -7.383 -2.965 -11.517 1.00 93.56 21 A 1 ATOM 161 N N . ASN A 1 22 ? -9.750 -1.909 -9.661 1.00 95.70 22 A 1 ATOM 162 C CA . ASN A 1 22 ? -10.898 -1.057 -9.339 1.00 95.82 22 A 1 ATOM 163 C C . ASN A 1 22 ? -10.744 -0.351 -7.981 1.00 96.38 22 A 1 ATOM 164 O O . ASN A 1 22 ? -11.090 0.827 -7.837 1.00 95.91 22 A 1 ATOM 165 C CB . ASN A 1 22 ? -12.170 -1.920 -9.357 1.00 94.84 22 A 1 ATOM 166 C CG . ASN A 1 22 ? -12.608 -2.287 -10.767 1.00 85.61 22 A 1 ATOM 167 O OD1 . ASN A 1 22 ? -12.354 -1.591 -11.727 1.00 76.46 22 A 1 ATOM 168 N ND2 . ASN A 1 22 ? -13.332 -3.377 -10.923 1.00 75.15 22 A 1 ATOM 169 N N . LYS A 1 23 ? -10.221 -1.057 -6.968 1.00 96.22 23 A 1 ATOM 170 C CA . LYS A 1 23 ? -9.950 -0.465 -5.651 1.00 96.49 23 A 1 ATOM 171 C C . LYS A 1 23 ? -8.863 0.610 -5.730 1.00 96.90 23 A 1 ATOM 172 O O . LYS A 1 23 ? -9.052 1.688 -5.165 1.00 96.74 23 A 1 ATOM 173 C CB . LYS A 1 23 ? -9.565 -1.553 -4.640 1.00 96.16 23 A 1 ATOM 174 C CG . LYS A 1 23 ? -10.748 -2.439 -4.223 1.00 94.37 23 A 1 ATOM 175 C CD . LYS A 1 23 ? -10.253 -3.561 -3.308 1.00 91.29 23 A 1 ATOM 176 C CE . LYS A 1 23 ? -11.387 -4.487 -2.866 1.00 86.97 23 A 1 ATOM 177 N NZ . LYS A 1 23 ? -10.882 -5.535 -1.938 1.00 79.55 23 A 1 ATOM 178 N N . MET A 1 24 ? -7.798 0.353 -6.476 1.00 96.93 24 A 1 ATOM 179 C CA . MET A 1 24 ? -6.711 1.306 -6.704 1.00 97.21 24 A 1 ATOM 180 C C . MET A 1 24 ? -7.203 2.550 -7.460 1.00 97.21 24 A 1 ATOM 181 O O . MET A 1 24 ? -6.925 3.666 -7.031 1.00 97.07 24 A 1 ATOM 182 C CB . MET A 1 24 ? -5.556 0.619 -7.447 1.00 97.25 24 A 1 ATOM 183 C CG . MET A 1 24 ? -4.799 -0.386 -6.563 1.00 96.28 24 A 1 ATOM 184 S SD . MET A 1 24 ? -3.935 0.334 -5.128 1.00 95.75 24 A 1 ATOM 185 C CE . MET A 1 24 ? -2.469 1.033 -5.938 1.00 93.59 24 A 1 ATOM 186 N N . SER A 1 25 ? -8.015 2.392 -8.496 1.00 97.20 25 A 1 ATOM 187 C CA . SER A 1 25 ? -8.634 3.521 -9.212 1.00 97.00 25 A 1 ATOM 188 C C . SER A 1 25 ? -9.503 4.386 -8.286 1.00 97.19 25 A 1 ATOM 189 O O . SER A 1 25 ? -9.394 5.610 -8.270 1.00 96.55 25 A 1 ATOM 190 C CB . SER A 1 25 ? -9.466 2.983 -10.380 1.00 96.21 25 A 1 ATOM 191 O OG . SER A 1 25 ? -10.042 4.051 -11.101 1.00 78.81 25 A 1 ATOM 192 N N . ASN A 1 26 ? -10.308 3.746 -7.423 1.00 97.02 26 A 1 ATOM 193 C CA . ASN A 1 26 ? -11.115 4.471 -6.440 1.00 96.70 26 A 1 ATOM 194 C C . ASN A 1 26 ? -10.278 5.238 -5.402 1.00 97.10 26 A 1 ATOM 195 O O . ASN A 1 26 ? -10.728 6.274 -4.909 1.00 96.38 26 A 1 ATOM 196 C CB . ASN A 1 26 ? -12.033 3.474 -5.721 1.00 95.52 26 A 1 ATOM 197 C CG . ASN A 1 26 ? -13.197 3.038 -6.587 1.00 82.91 26 A 1 ATOM 198 O OD1 . ASN A 1 26 ? -13.790 3.798 -7.311 1.00 73.29 26 A 1 ATOM 199 N ND2 . ASN A 1 26 ? -13.625 1.803 -6.494 1.00 72.40 26 A 1 ATOM 200 N N . ILE A 1 27 ? -9.105 4.717 -5.028 1.00 97.47 27 A 1 ATOM 201 C CA . ILE A 1 27 ? -8.155 5.442 -4.173 1.00 97.65 27 A 1 ATOM 202 C C . ILE A 1 27 ? -7.600 6.637 -4.944 1.00 97.68 27 A 1 ATOM 203 O O . ILE A 1 27 ? -7.681 7.752 -4.435 1.00 97.39 27 A 1 ATOM 204 C CB . ILE A 1 27 ? -7.034 4.518 -3.647 1.00 97.70 27 A 1 ATOM 205 C CG1 . ILE A 1 27 ? -7.614 3.490 -2.645 1.00 97.17 27 A 1 ATOM 206 C CG2 . ILE A 1 27 ? -5.917 5.334 -2.966 1.00 96.87 27 A 1 ATOM 207 C CD1 . ILE A 1 27 ? -6.654 2.339 -2.325 1.00 96.06 27 A 1 ATOM 208 N N . TYR A 1 28 ? -7.123 6.428 -6.173 1.00 97.82 28 A 1 ATOM 209 C CA . TYR A 1 28 ? -6.527 7.475 -7.008 1.00 97.63 28 A 1 ATOM 210 C C . TYR A 1 28 ? -7.446 8.690 -7.173 1.00 97.41 28 A 1 ATOM 211 O O . TYR A 1 28 ? -7.012 9.824 -6.977 1.00 96.90 28 A 1 ATOM 212 C CB . TYR A 1 28 ? -6.162 6.890 -8.375 1.00 97.19 28 A 1 ATOM 213 C CG . TYR A 1 28 ? -5.462 7.888 -9.274 1.00 95.58 28 A 1 ATOM 214 C CD1 . TYR A 1 28 ? -6.177 8.587 -10.267 1.00 92.85 28 A 1 ATOM 215 C CD2 . TYR A 1 28 ? -4.086 8.149 -9.097 1.00 92.46 28 A 1 ATOM 216 C CE1 . TYR A 1 28 ? -5.523 9.529 -11.077 1.00 89.94 28 A 1 ATOM 217 C CE2 . TYR A 1 28 ? -3.427 9.088 -9.903 1.00 90.35 28 A 1 ATOM 218 C CZ . TYR A 1 28 ? -4.149 9.778 -10.892 1.00 89.85 28 A 1 ATOM 219 O OH . TYR A 1 28 ? -3.506 10.700 -11.681 1.00 87.21 28 A 1 ATOM 220 N N . ASN A 1 29 ? -8.733 8.457 -7.408 1.00 97.53 29 A 1 ATOM 221 C CA . ASN A 1 29 ? -9.738 9.516 -7.554 1.00 97.30 29 A 1 ATOM 222 C C . ASN A 1 29 ? -9.952 10.365 -6.283 1.00 97.30 29 A 1 ATOM 223 O O . ASN A 1 29 ? -10.583 11.418 -6.351 1.00 95.85 29 A 1 ATOM 224 C CB . ASN A 1 29 ? -11.058 8.863 -7.999 1.00 96.58 29 A 1 ATOM 225 C CG . ASN A 1 29 ? -10.992 8.297 -9.411 1.00 92.44 29 A 1 ATOM 226 O OD1 . ASN A 1 29 ? -10.165 8.656 -10.224 1.00 84.53 29 A 1 ATOM 227 N ND2 . ASN A 1 29 ? -11.892 7.393 -9.746 1.00 82.98 29 A 1 ATOM 228 N N . LYS A 1 30 ? -9.458 9.915 -5.123 1.00 97.01 30 A 1 ATOM 229 C CA . LYS A 1 30 ? -9.508 10.657 -3.851 1.00 96.74 30 A 1 ATOM 230 C C . LYS A 1 30 ? -8.201 11.388 -3.536 1.00 97.03 30 A 1 ATOM 231 O O . LYS A 1 30 ? -8.136 12.101 -2.537 1.00 95.50 30 A 1 ATOM 232 C CB . LYS A 1 30 ? -9.879 9.707 -2.707 1.00 96.15 30 A 1 ATOM 233 C CG . LYS A 1 30 ? -11.273 9.092 -2.889 1.00 93.44 30 A 1 ATOM 234 C CD . LYS A 1 30 ? -11.566 8.134 -1.734 1.00 86.21 30 A 1 ATOM 235 C CE . LYS A 1 30 ? -12.954 7.525 -1.926 1.00 80.67 30 A 1 ATOM 236 N NZ . LYS A 1 30 ? -13.320 6.657 -0.783 1.00 70.74 30 A 1 ATOM 237 N N . LEU A 1 31 ? -7.172 11.206 -4.350 1.00 96.99 31 A 1 ATOM 238 C CA . LEU A 1 31 ? -5.862 11.810 -4.133 1.00 96.50 31 A 1 ATOM 239 C C . LEU A 1 31 ? -5.847 13.225 -4.710 1.00 95.30 31 A 1 ATOM 240 O O . LEU A 1 31 ? -5.992 13.430 -5.914 1.00 93.09 31 A 1 ATOM 241 C CB . LEU A 1 31 ? -4.743 10.939 -4.728 1.00 96.82 31 A 1 ATOM 242 C CG . LEU A 1 31 ? -4.737 9.469 -4.266 1.00 96.74 31 A 1 ATOM 243 C CD1 . LEU A 1 31 ? -3.543 8.742 -4.867 1.00 96.22 31 A 1 ATOM 244 C CD2 . LEU A 1 31 ? -4.689 9.316 -2.745 1.00 96.21 31 A 1 ATOM 245 N N . ASN A 1 32 ? -5.636 14.205 -3.826 1.00 96.06 32 A 1 ATOM 246 C CA . ASN A 1 32 ? -5.625 15.632 -4.161 1.00 95.09 32 A 1 ATOM 247 C C . ASN A 1 32 ? -4.224 16.264 -4.133 1.00 95.38 32 A 1 ATOM 248 O O . ASN A 1 32 ? -4.097 17.465 -4.364 1.00 92.29 32 A 1 ATOM 249 C CB . ASN A 1 32 ? -6.607 16.358 -3.226 1.00 92.47 32 A 1 ATOM 250 C CG . ASN A 1 32 ? -6.207 16.299 -1.759 1.00 86.61 32 A 1 ATOM 251 O OD1 . ASN A 1 32 ? -5.315 15.578 -1.347 1.00 74.97 32 A 1 ATOM 252 N ND2 . ASN A 1 32 ? -6.882 17.056 -0.923 1.00 78.81 32 A 1 ATOM 253 N N . LYS A 1 33 ? -3.181 15.476 -3.847 1.00 96.35 33 A 1 ATOM 254 C CA . LYS A 1 33 ? -1.788 15.932 -3.794 1.00 96.62 33 A 1 ATOM 255 C C . LYS A 1 33 ? -0.907 15.040 -4.662 1.00 97.47 33 A 1 ATOM 256 O O . LYS A 1 33 ? -1.092 13.826 -4.664 1.00 97.07 33 A 1 ATOM 257 C CB . LYS A 1 33 ? -1.263 15.914 -2.349 1.00 94.05 33 A 1 ATOM 258 C CG . LYS A 1 33 ? -1.961 16.913 -1.411 1.00 86.28 33 A 1 ATOM 259 C CD . LYS A 1 33 ? -1.410 16.813 0.022 1.00 86.60 33 A 1 ATOM 260 C CE . LYS A 1 33 ? 0.044 17.287 0.113 1.00 79.06 33 A 1 ATOM 261 N NZ . LYS A 1 33 ? 0.674 16.951 1.420 1.00 73.32 33 A 1 ATOM 262 N N . ASP A 1 34 ? 0.089 15.638 -5.317 1.00 97.11 34 A 1 ATOM 263 C CA . ASP A 1 34 ? 1.028 14.890 -6.160 1.00 97.21 34 A 1 ATOM 264 C C . ASP A 1 34 ? 1.870 13.903 -5.347 1.00 97.69 34 A 1 ATOM 265 O O . ASP A 1 34 ? 2.031 12.759 -5.764 1.00 97.30 34 A 1 ATOM 266 C CB . ASP A 1 34 ? 1.896 15.863 -6.967 1.00 96.21 34 A 1 ATOM 267 C CG . ASP A 1 34 ? 1.052 16.655 -7.972 1.00 90.69 34 A 1 ATOM 268 O OD1 . ASP A 1 34 ? 0.050 16.084 -8.481 1.00 86.38 34 A 1 ATOM 269 O OD2 . ASP A 1 34 ? 1.359 17.846 -8.164 1.00 86.33 34 A 1 ATOM 270 N N . SER A 1 35 ? 2.267 14.264 -4.121 1.00 97.56 35 A 1 ATOM 271 C CA . SER A 1 35 ? 2.961 13.354 -3.199 1.00 97.71 35 A 1 ATOM 272 C C . SER A 1 35 ? 2.159 12.079 -2.899 1.00 98.12 35 A 1 ATOM 273 O O . SER A 1 35 ? 2.719 10.981 -2.854 1.00 97.89 35 A 1 ATOM 274 C CB . SER A 1 35 ? 3.282 14.088 -1.892 1.00 97.18 35 A 1 ATOM 275 O OG . SER A 1 35 ? 2.120 14.678 -1.333 1.00 92.15 35 A 1 ATOM 276 N N . LEU A 1 36 ? 0.833 12.179 -2.766 1.00 97.96 36 A 1 ATOM 277 C CA . LEU A 1 36 ? -0.041 11.016 -2.583 1.00 98.17 36 A 1 ATOM 278 C C . LEU A 1 36 ? -0.148 10.189 -3.873 1.00 98.29 36 A 1 ATOM 279 O O . LEU A 1 36 ? -0.169 8.957 -3.816 1.00 98.29 36 A 1 ATOM 280 C CB . LEU A 1 36 ? -1.437 11.471 -2.128 1.00 98.16 36 A 1 ATOM 281 C CG . LEU A 1 36 ? -1.492 12.175 -0.762 1.00 97.42 36 A 1 ATOM 282 C CD1 . LEU A 1 36 ? -2.914 12.666 -0.497 1.00 96.87 36 A 1 ATOM 283 C CD2 . LEU A 1 36 ? -1.091 11.244 0.379 1.00 96.77 36 A 1 ATOM 284 N N . ARG A 1 37 ? -0.192 10.844 -5.031 1.00 98.24 37 A 1 ATOM 285 C CA . ARG A 1 37 ? -0.195 10.180 -6.348 1.00 98.16 37 A 1 ATOM 286 C C . ARG A 1 37 ? 1.120 9.452 -6.619 1.00 98.13 37 A 1 ATOM 287 O O . ARG A 1 37 ? 1.098 8.364 -7.195 1.00 97.94 37 A 1 ATOM 288 C CB . ARG A 1 37 ? -0.467 11.195 -7.464 1.00 97.93 37 A 1 ATOM 289 C CG . ARG A 1 37 ? -1.873 11.802 -7.389 1.00 96.49 37 A 1 ATOM 290 C CD . ARG A 1 37 ? -2.021 12.891 -8.447 1.00 94.77 37 A 1 ATOM 291 N NE . ARG A 1 37 ? -3.309 13.588 -8.335 1.00 89.97 37 A 1 ATOM 292 C CZ . ARG A 1 37 ? -3.501 14.892 -8.431 1.00 86.45 37 A 1 ATOM 293 N NH1 . ARG A 1 37 ? -2.539 15.739 -8.691 1.00 80.32 37 A 1 ATOM 294 N NH2 . ARG A 1 37 ? -4.692 15.376 -8.258 1.00 81.11 37 A 1 ATOM 295 N N . GLU A 1 38 ? 2.242 9.996 -6.160 1.00 97.95 38 A 1 ATOM 296 C CA . GLU A 1 38 ? 3.554 9.348 -6.233 1.00 97.81 38 A 1 ATOM 297 C C . GLU A 1 38 ? 3.593 8.046 -5.414 1.00 98.01 38 A 1 ATOM 298 O O . GLU A 1 38 ? 4.025 7.013 -5.932 1.00 97.70 38 A 1 ATOM 299 C CB . GLU A 1 38 ? 4.649 10.302 -5.742 1.00 97.27 38 A 1 ATOM 300 C CG . GLU A 1 38 ? 4.981 11.425 -6.734 1.00 91.66 38 A 1 ATOM 301 C CD . GLU A 1 38 ? 6.015 12.422 -6.171 1.00 85.92 38 A 1 ATOM 302 O OE1 . GLU A 1 38 ? 6.118 13.538 -6.716 1.00 78.05 38 A 1 ATOM 303 O OE2 . GLU A 1 38 ? 6.719 12.068 -5.193 1.00 79.84 38 A 1 ATOM 304 N N . ILE A 1 39 ? 3.067 8.052 -4.176 1.00 98.15 39 A 1 ATOM 305 C CA . ILE A 1 39 ? 2.930 6.822 -3.372 1.00 98.34 39 A 1 ATOM 306 C C . ILE A 1 39 ? 2.068 5.803 -4.122 1.00 98.37 39 A 1 ATOM 307 O O . ILE A 1 39 ? 2.454 4.640 -4.262 1.00 98.27 39 A 1 ATOM 308 C CB . ILE A 1 39 ? 2.321 7.095 -1.976 1.00 98.41 39 A 1 ATOM 309 C CG1 . ILE A 1 39 ? 3.199 8.041 -1.134 1.00 98.01 39 A 1 ATOM 310 C CG2 . ILE A 1 39 ? 2.128 5.772 -1.204 1.00 97.92 39 A 1 ATOM 311 C CD1 . ILE A 1 39 ? 2.500 8.572 0.124 1.00 97.45 39 A 1 ATOM 312 N N . HIS A 1 40 ? 0.911 6.241 -4.632 1.00 98.42 40 A 1 ATOM 313 C CA . HIS A 1 40 ? -0.010 5.382 -5.368 1.00 98.40 40 A 1 ATOM 314 C C . HIS A 1 40 ? 0.652 4.748 -6.590 1.00 98.32 40 A 1 ATOM 315 O O . HIS A 1 40 ? 0.564 3.534 -6.782 1.00 97.91 40 A 1 ATOM 316 C CB . HIS A 1 40 ? -1.239 6.193 -5.772 1.00 98.13 40 A 1 ATOM 317 C CG . HIS A 1 40 ? -2.297 5.335 -6.397 1.00 98.03 40 A 1 ATOM 318 N ND1 . HIS A 1 40 ? -3.280 4.657 -5.706 1.00 92.10 40 A 1 ATOM 319 C CD2 . HIS A 1 40 ? -2.467 5.066 -7.726 1.00 92.67 40 A 1 ATOM 320 C CE1 . HIS A 1 40 ? -4.029 4.004 -6.605 1.00 93.75 40 A 1 ATOM 321 N NE2 . HIS A 1 40 ? -3.560 4.223 -7.841 1.00 94.34 40 A 1 ATOM 322 N N . SER A 1 41 ? 1.362 5.543 -7.375 1.00 98.04 41 A 1 ATOM 323 C CA . SER A 1 41 ? 2.079 5.080 -8.565 1.00 97.84 41 A 1 ATOM 324 C C . SER A 1 41 ? 3.175 4.070 -8.214 1.00 97.86 41 A 1 ATOM 325 O O . SER A 1 41 ? 3.334 3.067 -8.907 1.00 97.26 41 A 1 ATOM 326 C CB . SER A 1 41 ? 2.694 6.272 -9.306 1.00 97.27 41 A 1 ATOM 327 O OG . SER A 1 41 ? 1.675 7.165 -9.716 1.00 81.70 41 A 1 ATOM 328 N N . ALA A 1 42 ? 3.889 4.285 -7.108 1.00 97.99 42 A 1 ATOM 329 C CA . ALA A 1 42 ? 4.907 3.347 -6.637 1.00 97.93 42 A 1 ATOM 330 C C . ALA A 1 42 ? 4.305 1.984 -6.244 1.00 97.94 42 A 1 ATOM 331 O O . ALA A 1 42 ? 4.837 0.943 -6.632 1.00 97.59 42 A 1 ATOM 332 C CB . ALA A 1 42 ? 5.673 4.000 -5.480 1.00 97.82 42 A 1 ATOM 333 N N . LEU A 1 43 ? 3.173 1.980 -5.524 1.00 97.97 43 A 1 ATOM 334 C CA . LEU A 1 43 ? 2.469 0.745 -5.159 1.00 97.97 43 A 1 ATOM 335 C C . LEU A 1 43 ? 1.845 0.058 -6.377 1.00 97.68 43 A 1 ATOM 336 O O . LEU A 1 43 ? 1.907 -1.165 -6.490 1.00 97.20 43 A 1 ATOM 337 C CB . LEU A 1 43 ? 1.390 1.039 -4.107 1.00 97.98 43 A 1 ATOM 338 C CG . LEU A 1 43 ? 1.911 1.504 -2.738 1.00 96.79 43 A 1 ATOM 339 C CD1 . LEU A 1 43 ? 0.738 1.599 -1.770 1.00 95.12 43 A 1 ATOM 340 C CD2 . LEU A 1 43 ? 2.941 0.552 -2.136 1.00 94.50 43 A 1 ATOM 341 N N . TYR A 1 44 ? 1.290 0.825 -7.306 1.00 97.23 44 A 1 ATOM 342 C CA . TYR A 1 44 ? 0.766 0.274 -8.554 1.00 96.67 44 A 1 ATOM 343 C C . TYR A 1 44 ? 1.873 -0.373 -9.392 1.00 96.57 44 A 1 ATOM 344 O O . TYR A 1 44 ? 1.673 -1.451 -9.952 1.00 95.31 44 A 1 ATOM 345 C CB . TYR A 1 44 ? 0.031 1.371 -9.327 1.00 95.24 44 A 1 ATOM 346 C CG . TYR A 1 44 ? -0.827 0.806 -10.438 1.00 90.67 44 A 1 ATOM 347 C CD1 . TYR A 1 44 ? -0.386 0.825 -11.774 1.00 85.12 44 A 1 ATOM 348 C CD2 . TYR A 1 44 ? -2.072 0.217 -10.125 1.00 83.75 44 A 1 ATOM 349 C CE1 . TYR A 1 44 ? -1.183 0.271 -12.788 1.00 80.99 44 A 1 ATOM 350 C CE2 . TYR A 1 44 ? -2.869 -0.342 -11.135 1.00 80.31 44 A 1 ATOM 351 C CZ . TYR A 1 44 ? -2.421 -0.312 -12.466 1.00 79.45 44 A 1 ATOM 352 O OH . TYR A 1 44 ? -3.199 -0.860 -13.457 1.00 76.51 44 A 1 ATOM 353 N N . GLY A 1 45 ? 3.070 0.209 -9.388 1.00 97.00 45 A 1 ATOM 354 C CA . GLY A 1 45 ? 4.259 -0.393 -9.996 1.00 96.85 45 A 1 ATOM 355 C C . GLY A 1 45 ? 4.636 -1.749 -9.383 1.00 97.19 45 A 1 ATOM 356 O O . GLY A 1 45 ? 5.015 -2.663 -10.113 1.00 96.66 45 A 1 ATOM 357 N N . LEU A 1 46 ? 4.471 -1.922 -8.062 1.00 97.31 46 A 1 ATOM 358 C CA . LEU A 1 46 ? 4.659 -3.232 -7.421 1.00 97.26 46 A 1 ATOM 359 C C . LEU A 1 46 ? 3.619 -4.250 -7.905 1.00 97.19 46 A 1 ATOM 360 O O . LEU A 1 46 ? 3.978 -5.376 -8.243 1.00 96.64 46 A 1 ATOM 361 C CB . LEU A 1 46 ? 4.595 -3.114 -5.889 1.00 97.20 46 A 1 ATOM 362 C CG . LEU A 1 46 ? 5.735 -2.322 -5.225 1.00 96.45 46 A 1 ATOM 363 C CD1 . LEU A 1 46 ? 5.453 -2.222 -3.726 1.00 95.42 46 A 1 ATOM 364 C CD2 . LEU A 1 46 ? 7.093 -3.003 -5.417 1.00 95.24 46 A 1 ATOM 365 N N . LEU A 1 47 ? 2.350 -3.845 -7.980 1.00 96.95 47 A 1 ATOM 366 C CA . LEU A 1 47 ? 1.277 -4.711 -8.473 1.00 96.62 47 A 1 ATOM 367 C C . LEU A 1 47 ? 1.536 -5.164 -9.911 1.00 96.36 47 A 1 ATOM 368 O O . LEU A 1 47 ? 1.446 -6.356 -10.202 1.00 95.45 47 A 1 ATOM 369 C CB . LEU A 1 47 ? -0.074 -3.981 -8.395 1.00 96.09 47 A 1 ATOM 370 C CG . LEU A 1 47 ? -0.628 -3.777 -6.979 1.00 93.47 47 A 1 ATOM 371 C CD1 . LEU A 1 47 ? -1.864 -2.881 -7.053 1.00 93.31 47 A 1 ATOM 372 C CD2 . LEU A 1 47 ? -1.027 -5.112 -6.347 1.00 93.29 47 A 1 ATOM 373 N N . THR A 1 48 ? 1.890 -4.240 -10.801 1.00 96.83 48 A 1 ATOM 374 C CA . THR A 1 48 ? 2.172 -4.565 -12.209 1.00 96.49 48 A 1 ATOM 375 C C . THR A 1 48 ? 3.418 -5.432 -12.378 1.00 96.71 48 A 1 ATOM 376 O O . THR A 1 48 ? 3.481 -6.221 -13.317 1.00 95.61 48 A 1 ATOM 377 C CB . THR A 1 48 ? 2.310 -3.306 -13.077 1.00 95.31 48 A 1 ATOM 378 O OG1 . THR A 1 48 ? 3.300 -2.440 -12.576 1.00 88.01 48 A 1 ATOM 379 C CG2 . THR A 1 48 ? 1.002 -2.519 -13.157 1.00 84.96 48 A 1 ATOM 380 N N . ALA A 1 49 ? 4.358 -5.356 -11.433 1.00 97.35 49 A 1 ATOM 381 C CA . ALA A 1 49 ? 5.515 -6.251 -11.374 1.00 97.35 49 A 1 ATOM 382 C C . ALA A 1 49 ? 5.190 -7.638 -10.766 1.00 97.35 49 A 1 ATOM 383 O O . ALA A 1 49 ? 6.082 -8.479 -10.653 1.00 96.40 49 A 1 ATOM 384 C CB . ALA A 1 49 ? 6.647 -5.531 -10.631 1.00 97.13 49 A 1 ATOM 385 N N . GLY A 1 50 ? 3.930 -7.883 -10.364 1.00 97.04 50 A 1 ATOM 386 C CA . GLY A 1 50 ? 3.471 -9.176 -9.843 1.00 96.73 50 A 1 ATOM 387 C C . GLY A 1 50 ? 3.618 -9.358 -8.330 1.00 97.00 50 A 1 ATOM 388 O O . GLY A 1 50 ? 3.393 -10.463 -7.823 1.00 95.88 50 A 1 ATOM 389 N N . TYR A 1 51 ? 3.970 -8.302 -7.592 1.00 97.15 51 A 1 ATOM 390 C CA . TYR A 1 51 ? 4.092 -8.365 -6.139 1.00 97.12 51 A 1 ATOM 391 C C . TYR A 1 51 ? 2.727 -8.306 -5.448 1.00 97.18 51 A 1 ATOM 392 O O . TYR A 1 51 ? 1.781 -7.658 -5.908 1.00 96.50 51 A 1 ATOM 393 C CB . TYR A 1 51 ? 5.028 -7.264 -5.625 1.00 96.84 51 A 1 ATOM 394 C CG . TYR A 1 51 ? 6.464 -7.425 -6.086 1.00 95.46 51 A 1 ATOM 395 C CD1 . TYR A 1 51 ? 7.311 -8.363 -5.461 1.00 90.95 51 A 1 ATOM 396 C CD2 . TYR A 1 51 ? 6.963 -6.654 -7.154 1.00 91.24 51 A 1 ATOM 397 C CE1 . TYR A 1 51 ? 8.635 -8.531 -5.898 1.00 89.53 51 A 1 ATOM 398 C CE2 . TYR A 1 51 ? 8.288 -6.817 -7.601 1.00 89.33 51 A 1 ATOM 399 C CZ . TYR A 1 51 ? 9.120 -7.760 -6.967 1.00 90.29 51 A 1 ATOM 400 O OH . TYR A 1 51 ? 10.414 -7.927 -7.403 1.00 88.27 51 A 1 ATOM 401 N N . ASP A 1 52 ? 2.647 -8.973 -4.291 1.00 96.43 52 A 1 ATOM 402 C CA . ASP A 1 52 ? 1.567 -8.806 -3.322 1.00 96.62 52 A 1 ATOM 403 C C . ASP A 1 52 ? 1.885 -7.608 -2.418 1.00 96.97 52 A 1 ATOM 404 O O . ASP A 1 52 ? 2.938 -7.561 -1.788 1.00 96.41 52 A 1 ATOM 405 C CB . ASP A 1 52 ? 1.412 -10.108 -2.523 1.00 95.68 52 A 1 ATOM 406 C CG . ASP A 1 52 ? 0.311 -10.056 -1.458 1.00 94.47 52 A 1 ATOM 407 O OD1 . ASP A 1 52 ? -0.441 -9.062 -1.397 1.00 91.81 52 A 1 ATOM 408 O OD2 . ASP A 1 52 ? 0.185 -11.042 -0.701 1.00 90.26 52 A 1 ATOM 409 N N . ILE A 1 53 ? 0.965 -6.640 -2.352 1.00 97.36 53 A 1 ATOM 410 C CA . ILE A 1 53 ? 1.114 -5.429 -1.527 1.00 97.41 53 A 1 ATOM 411 C C . ILE A 1 53 ? 0.265 -5.482 -0.250 1.00 97.37 53 A 1 ATOM 412 O O . ILE A 1 53 ? 0.018 -4.456 0.377 1.00 97.18 53 A 1 ATOM 413 C CB . ILE A 1 53 ? 0.889 -4.137 -2.350 1.00 97.52 53 A 1 ATOM 414 C CG1 . ILE A 1 53 ? -0.557 -4.025 -2.879 1.00 97.10 53 A 1 ATOM 415 C CG2 . ILE A 1 53 ? 1.919 -4.057 -3.492 1.00 96.42 53 A 1 ATOM 416 C CD1 . ILE A 1 53 ? -0.918 -2.602 -3.329 1.00 96.53 53 A 1 ATOM 417 N N . SER A 1 54 ? -0.202 -6.663 0.159 1.00 96.78 54 A 1 ATOM 418 C CA . SER A 1 54 ? -1.027 -6.838 1.361 1.00 96.47 54 A 1 ATOM 419 C C . SER A 1 54 ? -0.330 -6.384 2.647 1.00 96.51 54 A 1 ATOM 420 O O . SER A 1 54 ? -1.005 -5.928 3.574 1.00 95.97 54 A 1 ATOM 421 C CB . SER A 1 54 ? -1.468 -8.296 1.502 1.00 95.61 54 A 1 ATOM 422 O OG . SER A 1 54 ? -0.363 -9.160 1.611 1.00 92.48 54 A 1 ATOM 423 N N . ASN A 1 55 ? 0.999 -6.433 2.678 1.00 96.38 55 A 1 ATOM 424 C CA . ASN A 1 55 ? 1.813 -5.922 3.780 1.00 96.18 55 A 1 ATOM 425 C C . ASN A 1 55 ? 1.654 -4.406 3.993 1.00 96.85 55 A 1 ATOM 426 O O . ASN A 1 55 ? 1.806 -3.939 5.119 1.00 96.20 55 A 1 ATOM 427 C CB . ASN A 1 55 ? 3.285 -6.310 3.551 1.00 94.89 55 A 1 ATOM 428 C CG . ASN A 1 55 ? 3.929 -5.616 2.363 1.00 89.67 55 A 1 ATOM 429 O OD1 . ASN A 1 55 ? 3.331 -5.418 1.320 1.00 80.23 55 A 1 ATOM 430 N ND2 . ASN A 1 55 ? 5.178 -5.227 2.495 1.00 82.67 55 A 1 ATOM 431 N N . MET A 1 56 ? 1.263 -3.644 2.968 1.00 96.85 56 A 1 ATOM 432 C CA . MET A 1 56 ? 1.018 -2.199 3.081 1.00 97.14 56 A 1 ATOM 433 C C . MET A 1 56 ? -0.220 -1.860 3.929 1.00 97.15 56 A 1 ATOM 434 O O . MET A 1 56 ? -0.458 -0.690 4.220 1.00 96.69 56 A 1 ATOM 435 C CB . MET A 1 56 ? 0.906 -1.564 1.684 1.00 97.27 56 A 1 ATOM 436 C CG . MET A 1 56 ? 2.137 -1.827 0.806 1.00 96.43 56 A 1 ATOM 437 S SD . MET A 1 56 ? 3.691 -1.140 1.451 1.00 95.26 56 A 1 ATOM 438 C CE . MET A 1 56 ? 4.869 -2.019 0.398 1.00 90.61 56 A 1 ATOM 439 N N . ARG A 1 57 ? -0.988 -2.855 4.375 1.00 96.89 57 A 1 ATOM 440 C CA . ARG A 1 57 ? -1.994 -2.672 5.432 1.00 96.67 57 A 1 ATOM 441 C C . ARG A 1 57 ? -1.362 -2.264 6.767 1.00 96.72 57 A 1 ATOM 442 O O . ARG A 1 57 ? -2.028 -1.598 7.569 1.00 96.12 57 A 1 ATOM 443 C CB . ARG A 1 57 ? -2.797 -3.961 5.633 1.00 95.98 57 A 1 ATOM 444 C CG . ARG A 1 57 ? -3.701 -4.301 4.442 1.00 93.90 57 A 1 ATOM 445 C CD . ARG A 1 57 ? -4.581 -5.482 4.835 1.00 92.86 57 A 1 ATOM 446 N NE . ARG A 1 57 ? -5.463 -5.927 3.742 1.00 89.99 57 A 1 ATOM 447 C CZ . ARG A 1 57 ? -5.324 -7.037 3.043 1.00 88.87 57 A 1 ATOM 448 N NH1 . ARG A 1 57 ? -4.298 -7.827 3.176 1.00 81.76 57 A 1 ATOM 449 N NH2 . ARG A 1 57 ? -6.241 -7.395 2.200 1.00 83.54 57 A 1 ATOM 450 N N . ASN A 1 58 ? -0.116 -2.637 7.010 1.00 96.59 58 A 1 ATOM 451 C CA . ASN A 1 58 ? 0.664 -2.139 8.136 1.00 96.66 58 A 1 ATOM 452 C C . ASN A 1 58 ? 1.359 -0.828 7.736 1.00 97.16 58 A 1 ATOM 453 O O . ASN A 1 58 ? 2.139 -0.794 6.790 1.00 96.88 58 A 1 ATOM 454 C CB . ASN A 1 58 ? 1.649 -3.226 8.615 1.00 95.54 58 A 1 ATOM 455 C CG . ASN A 1 58 ? 2.418 -2.791 9.855 1.00 86.87 58 A 1 ATOM 456 O OD1 . ASN A 1 58 ? 2.291 -1.671 10.313 1.00 79.25 58 A 1 ATOM 457 N ND2 . ASN A 1 58 ? 3.222 -3.652 10.436 1.00 78.63 58 A 1 ATOM 458 N N . ILE A 1 59 ? 1.077 0.250 8.472 1.00 97.29 59 A 1 ATOM 459 C CA . ILE A 1 59 ? 1.672 1.565 8.212 1.00 97.55 59 A 1 ATOM 460 C C . ILE A 1 59 ? 3.202 1.529 8.277 1.00 97.81 59 A 1 ATOM 461 O O . ILE A 1 59 ? 3.855 2.174 7.460 1.00 97.55 59 A 1 ATOM 462 C CB . ILE A 1 59 ? 1.069 2.634 9.147 1.00 97.00 59 A 1 ATOM 463 C CG1 . ILE A 1 59 ? 1.482 4.038 8.671 1.00 94.39 59 A 1 ATOM 464 C CG2 . ILE A 1 59 ? 1.419 2.397 10.626 1.00 92.58 59 A 1 ATOM 465 C CD1 . ILE A 1 59 ? 0.679 5.173 9.302 1.00 89.08 59 A 1 ATOM 466 N N . GLU A 1 60 ? 3.774 0.724 9.183 1.00 97.62 60 A 1 ATOM 467 C CA . GLU A 1 60 ? 5.227 0.593 9.316 1.00 97.67 60 A 1 ATOM 468 C C . GLU A 1 60 ? 5.875 0.025 8.045 1.00 97.77 60 A 1 ATOM 469 O O . GLU A 1 60 ? 6.968 0.438 7.653 1.00 97.29 60 A 1 ATOM 470 C CB . GLU A 1 60 ? 5.566 -0.346 10.480 1.00 97.40 60 A 1 ATOM 471 C CG . GLU A 1 60 ? 5.091 0.158 11.848 1.00 92.57 60 A 1 ATOM 472 C CD . GLU A 1 60 ? 5.413 -0.835 12.975 1.00 85.43 60 A 1 ATOM 473 O OE1 . GLU A 1 60 ? 5.121 -0.489 14.140 1.00 78.53 60 A 1 ATOM 474 O OE2 . GLU A 1 60 ? 5.926 -1.945 12.674 1.00 80.12 60 A 1 ATOM 475 N N . GLU A 1 61 ? 5.193 -0.905 7.373 1.00 97.54 61 A 1 ATOM 476 C CA . GLU A 1 61 ? 5.684 -1.482 6.119 1.00 97.45 61 A 1 ATOM 477 C C . GLU A 1 61 ? 5.591 -0.477 4.964 1.00 97.59 61 A 1 ATOM 478 O O . GLU A 1 61 ? 6.498 -0.385 4.131 1.00 97.32 61 A 1 ATOM 479 C CB . GLU A 1 61 ? 4.917 -2.770 5.795 1.00 97.09 61 A 1 ATOM 480 C CG . GLU A 1 61 ? 5.191 -3.905 6.801 1.00 92.41 61 A 1 ATOM 481 C CD . GLU A 1 61 ? 6.683 -4.269 6.877 1.00 87.11 61 A 1 ATOM 482 O OE1 . GLU A 1 61 ? 7.242 -4.321 8.004 1.00 79.69 61 A 1 ATOM 483 O OE2 . GLU A 1 61 ? 7.307 -4.435 5.808 1.00 80.39 61 A 1 ATOM 484 N N . LEU A 1 62 ? 4.542 0.342 4.943 1.00 97.94 62 A 1 ATOM 485 C CA . LEU A 1 62 ? 4.430 1.448 3.992 1.00 98.16 62 A 1 ATOM 486 C C . LEU A 1 62 ? 5.529 2.495 4.231 1.00 98.18 62 A 1 ATOM 487 O O . LEU A 1 62 ? 6.172 2.930 3.275 1.00 98.20 62 A 1 ATOM 488 C CB . LEU A 1 62 ? 3.015 2.052 4.072 1.00 98.26 62 A 1 ATOM 489 C CG . LEU A 1 62 ? 2.774 3.206 3.077 1.00 97.81 62 A 1 ATOM 490 C CD1 . LEU A 1 62 ? 2.932 2.772 1.618 1.00 97.27 62 A 1 ATOM 491 C CD2 . LEU A 1 62 ? 1.354 3.749 3.253 1.00 97.21 62 A 1 ATOM 492 N N . GLU A 1 63 ? 5.787 2.858 5.490 1.00 98.16 63 A 1 ATOM 493 C CA . GLU A 1 63 ? 6.860 3.785 5.860 1.00 98.08 63 A 1 ATOM 494 C C . GLU A 1 63 ? 8.240 3.250 5.453 1.00 98.08 63 A 1 ATOM 495 O O . GLU A 1 63 ? 9.016 3.964 4.810 1.00 97.74 63 A 1 ATOM 496 C CB . GLU A 1 63 ? 6.832 4.057 7.371 1.00 97.59 63 A 1 ATOM 497 C CG . GLU A 1 63 ? 5.695 5.009 7.758 1.00 85.57 63 A 1 ATOM 498 C CD . GLU A 1 63 ? 5.624 5.310 9.260 1.00 81.32 63 A 1 ATOM 499 O OE1 . GLU A 1 63 ? 4.826 6.213 9.617 1.00 74.88 63 A 1 ATOM 500 O OE2 . GLU A 1 63 ? 6.365 4.676 10.042 1.00 75.44 63 A 1 ATOM 501 N N . LYS A 1 64 ? 8.524 1.979 5.752 1.00 98.06 64 A 1 ATOM 502 C CA . LYS A 1 64 ? 9.766 1.321 5.324 1.00 98.02 64 A 1 ATOM 503 C C . LYS A 1 64 ? 9.926 1.360 3.803 1.00 97.97 64 A 1 ATOM 504 O O . LYS A 1 64 ? 11.009 1.681 3.306 1.00 97.55 64 A 1 ATOM 505 C CB . LYS A 1 64 ? 9.784 -0.139 5.794 1.00 97.79 64 A 1 ATOM 506 C CG . LYS A 1 64 ? 10.064 -0.299 7.296 1.00 87.59 64 A 1 ATOM 507 C CD . LYS A 1 64 ? 9.857 -1.772 7.673 1.00 85.54 64 A 1 ATOM 508 C CE . LYS A 1 64 ? 9.816 -1.997 9.182 1.00 74.77 64 A 1 ATOM 509 N NZ . LYS A 1 64 ? 9.342 -3.370 9.485 1.00 70.33 64 A 1 ATOM 510 N N . TYR A 1 65 ? 8.853 1.068 3.065 1.00 97.91 65 A 1 ATOM 511 C CA . TYR A 1 65 ? 8.882 1.107 1.605 1.00 97.85 65 A 1 ATOM 512 C C . TYR A 1 65 ? 9.149 2.516 1.063 1.00 97.92 65 A 1 ATOM 513 O O . TYR A 1 65 ? 10.014 2.689 0.203 1.00 97.67 65 A 1 ATOM 514 C CB . TYR A 1 65 ? 7.573 0.539 1.051 1.00 97.57 65 A 1 ATOM 515 C CG . TYR A 1 65 ? 7.501 0.621 -0.461 1.00 97.14 65 A 1 ATOM 516 C CD1 . TYR A 1 65 ? 6.632 1.534 -1.087 1.00 95.56 65 A 1 ATOM 517 C CD2 . TYR A 1 65 ? 8.345 -0.191 -1.248 1.00 95.39 65 A 1 ATOM 518 C CE1 . TYR A 1 65 ? 6.595 1.627 -2.489 1.00 94.28 65 A 1 ATOM 519 C CE2 . TYR A 1 65 ? 8.319 -0.098 -2.649 1.00 94.17 65 A 1 ATOM 520 C CZ . TYR A 1 65 ? 7.439 0.810 -3.266 1.00 94.35 65 A 1 ATOM 521 O OH . TYR A 1 65 ? 7.405 0.901 -4.635 1.00 92.67 65 A 1 ATOM 522 N N . VAL A 1 66 ? 8.463 3.529 1.595 1.00 98.00 66 A 1 ATOM 523 C CA . VAL A 1 66 ? 8.691 4.929 1.205 1.00 98.07 66 A 1 ATOM 524 C C . VAL A 1 66 ? 10.120 5.361 1.544 1.00 98.04 66 A 1 ATOM 525 O O . VAL A 1 66 ? 10.792 5.936 0.691 1.00 97.86 66 A 1 ATOM 526 C CB . VAL A 1 66 ? 7.651 5.863 1.852 1.00 98.07 66 A 1 ATOM 527 C CG1 . VAL A 1 66 ? 8.002 7.342 1.629 1.00 97.50 66 A 1 ATOM 528 C CG2 . VAL A 1 66 ? 6.265 5.627 1.240 1.00 97.50 66 A 1 ATOM 529 N N . ASN A 1 67 ? 10.624 5.026 2.731 1.00 98.01 67 A 1 ATOM 530 C CA . ASN A 1 67 ? 11.995 5.354 3.129 1.00 97.80 67 A 1 ATOM 531 C C . ASN A 1 67 ? 13.039 4.675 2.229 1.00 97.79 67 A 1 ATOM 532 O O . ASN A 1 67 ? 14.013 5.313 1.826 1.00 97.17 67 A 1 ATOM 533 C CB . ASN A 1 67 ? 12.181 4.991 4.610 1.00 97.31 67 A 1 ATOM 534 C CG . ASN A 1 67 ? 11.455 5.958 5.536 1.00 93.71 67 A 1 ATOM 535 O OD1 . ASN A 1 67 ? 11.196 7.105 5.201 1.00 86.80 67 A 1 ATOM 536 N ND2 . ASN A 1 67 ? 11.135 5.529 6.738 1.00 85.99 67 A 1 ATOM 537 N N . LEU A 1 68 ? 12.803 3.425 1.828 1.00 97.60 68 A 1 ATOM 538 C CA . LEU A 1 68 ? 13.650 2.731 0.852 1.00 97.34 68 A 1 ATOM 539 C C . LEU A 1 68 ? 13.643 3.427 -0.516 1.00 97.43 68 A 1 ATOM 540 O O . LEU A 1 68 ? 14.674 3.503 -1.191 1.00 96.91 68 A 1 ATOM 541 C CB . LEU A 1 68 ? 13.170 1.273 0.735 1.00 96.86 68 A 1 ATOM 542 C CG . LEU A 1 68 ? 13.974 0.428 -0.274 1.00 90.18 68 A 1 ATOM 543 C CD1 . LEU A 1 68 ? 15.425 0.237 0.163 1.00 86.76 68 A 1 ATOM 544 C CD2 . LEU A 1 68 ? 13.322 -0.943 -0.435 1.00 85.91 68 A 1 ATOM 545 N N . LYS A 1 69 ? 12.483 3.935 -0.949 1.00 97.65 69 A 1 ATOM 546 C CA . LYS A 1 69 ? 12.393 4.708 -2.194 1.00 97.44 69 A 1 ATOM 547 C C . LYS A 1 69 ? 13.104 6.056 -2.078 1.00 97.55 69 A 1 ATOM 548 O O . LYS A 1 69 ? 13.830 6.429 -3.001 1.00 97.05 69 A 1 ATOM 549 C CB . LYS A 1 69 ? 10.920 4.869 -2.598 1.00 97.09 69 A 1 ATOM 550 C CG . LYS A 1 69 ? 10.284 3.573 -3.133 1.00 94.81 69 A 1 ATOM 551 C CD . LYS A 1 69 ? 10.867 3.196 -4.493 1.00 88.86 69 A 1 ATOM 552 C CE . LYS A 1 69 ? 10.071 2.060 -5.134 1.00 84.57 69 A 1 ATOM 553 N NZ . LYS A 1 69 ? 10.462 1.866 -6.553 1.00 76.35 69 A 1 ATOM 554 N N . LYS A 1 70 ? 12.992 6.729 -0.930 1.00 97.64 70 A 1 ATOM 555 C CA . LYS A 1 70 ? 13.726 7.969 -0.636 1.00 97.64 70 A 1 ATOM 556 C C . LYS A 1 70 ? 15.238 7.770 -0.670 1.00 97.68 70 A 1 ATOM 557 O O . LYS A 1 70 ? 15.930 8.591 -1.267 1.00 96.74 70 A 1 ATOM 558 C CB . LYS A 1 70 ? 13.301 8.534 0.723 1.00 97.54 70 A 1 ATOM 559 C CG . LYS A 1 70 ? 11.907 9.159 0.658 1.00 96.85 70 A 1 ATOM 560 C CD . LYS A 1 70 ? 11.554 9.812 1.997 1.00 95.78 70 A 1 ATOM 561 C CE . LYS A 1 70 ? 10.223 10.531 1.835 1.00 93.42 70 A 1 ATOM 562 N NZ . LYS A 1 70 ? 9.953 11.475 2.944 1.00 90.13 70 A 1 ATOM 563 N N . SER A 1 71 ? 15.755 6.674 -0.130 1.00 97.71 71 A 1 ATOM 564 C CA . SER A 1 71 ? 17.195 6.373 -0.193 1.00 97.47 71 A 1 ATOM 565 C C . SER A 1 71 ? 17.707 6.155 -1.624 1.00 97.43 71 A 1 ATOM 566 O O . SER A 1 71 ? 18.905 6.239 -1.871 1.00 96.44 71 A 1 ATOM 567 C CB . SER A 1 71 ? 17.542 5.167 0.685 1.00 97.21 71 A 1 ATOM 568 O OG . SER A 1 71 ? 17.128 3.943 0.109 1.00 92.93 71 A 1 ATOM 569 N N . ARG A 1 72 ? 16.791 5.916 -2.570 1.00 97.21 72 A 1 ATOM 570 C CA . ARG A 1 72 ? 17.073 5.789 -4.011 1.00 96.72 72 A 1 ATOM 571 C C . ARG A 1 72 ? 16.744 7.067 -4.800 1.00 96.79 72 A 1 ATOM 572 O O . ARG A 1 72 ? 16.658 7.013 -6.023 1.00 94.92 72 A 1 ATOM 573 C CB . ARG A 1 72 ? 16.329 4.568 -4.571 1.00 95.70 72 A 1 ATOM 574 C CG . ARG A 1 72 ? 16.786 3.253 -3.918 1.00 92.53 72 A 1 ATOM 575 C CD . ARG A 1 72 ? 15.931 2.101 -4.446 1.00 87.61 72 A 1 ATOM 576 N NE . ARG A 1 72 ? 16.316 0.823 -3.829 1.00 80.63 72 A 1 ATOM 577 C CZ . ARG A 1 72 ? 15.783 -0.360 -4.089 1.00 74.71 72 A 1 ATOM 578 N NH1 . ARG A 1 72 ? 14.821 -0.507 -4.959 1.00 69.24 72 A 1 ATOM 579 N NH2 . ARG A 1 72 ? 16.218 -1.423 -3.464 1.00 66.03 72 A 1 ATOM 580 N N . GLY A 1 73 ? 16.510 8.194 -4.106 1.00 97.25 73 A 1 ATOM 581 C CA . GLY A 1 73 ? 16.179 9.479 -4.734 1.00 97.17 73 A 1 ATOM 582 C C . GLY A 1 73 ? 14.746 9.585 -5.274 1.00 97.36 73 A 1 ATOM 583 O O . GLY A 1 73 ? 14.458 10.461 -6.085 1.00 95.90 73 A 1 ATOM 584 N N . GLN A 1 74 ? 13.836 8.698 -4.839 1.00 97.12 74 A 1 ATOM 585 C CA . GLN A 1 74 ? 12.423 8.692 -5.233 1.00 96.89 74 A 1 ATOM 586 C C . GLN A 1 74 ? 11.536 9.125 -4.061 1.00 97.16 74 A 1 ATOM 587 O O . GLN A 1 74 ? 11.951 9.060 -2.908 1.00 96.05 74 A 1 ATOM 588 C CB . GLN A 1 74 ? 12.025 7.295 -5.739 1.00 95.95 74 A 1 ATOM 589 C CG . GLN A 1 74 ? 12.848 6.858 -6.956 1.00 92.78 74 A 1 ATOM 590 C CD . GLN A 1 74 ? 12.498 5.463 -7.473 1.00 89.34 74 A 1 ATOM 591 O OE1 . GLN A 1 74 ? 11.719 4.698 -6.918 1.00 82.12 74 A 1 ATOM 592 N NE2 . GLN A 1 74 ? 13.089 5.070 -8.585 1.00 79.04 74 A 1 ATOM 593 N N . LEU A 1 75 ? 10.303 9.533 -4.331 1.00 96.84 75 A 1 ATOM 594 C CA . LEU A 1 75 ? 9.317 9.931 -3.311 1.00 97.09 75 A 1 ATOM 595 C C . LEU A 1 75 ? 9.844 10.993 -2.322 1.00 97.13 75 A 1 ATOM 596 O O . LEU A 1 75 ? 9.443 11.021 -1.157 1.00 95.99 75 A 1 ATOM 597 C CB . LEU A 1 75 ? 8.753 8.686 -2.592 1.00 96.95 75 A 1 ATOM 598 C CG . LEU A 1 75 ? 8.175 7.582 -3.503 1.00 96.06 75 A 1 ATOM 599 C CD1 . LEU A 1 75 ? 7.628 6.445 -2.646 1.00 95.07 75 A 1 ATOM 600 C CD2 . LEU A 1 75 ? 7.048 8.094 -4.396 1.00 94.88 75 A 1 ATOM 601 N N . LEU A 1 76 ? 10.744 11.869 -2.770 1.00 97.11 76 A 1 ATOM 602 C CA . LEU A 1 76 ? 11.423 12.842 -1.901 1.00 96.86 76 A 1 ATOM 603 C C . LEU A 1 76 ? 10.444 13.855 -1.292 1.00 96.65 76 A 1 ATOM 604 O O . LEU A 1 76 ? 10.602 14.242 -0.135 1.00 95.16 76 A 1 ATOM 605 C CB . LEU A 1 76 ? 12.538 13.549 -2.689 1.00 96.53 76 A 1 ATOM 606 C CG . LEU A 1 76 ? 13.690 12.622 -3.144 1.00 95.09 76 A 1 ATOM 607 C CD1 . LEU A 1 76 ? 14.713 13.423 -3.944 1.00 92.29 76 A 1 ATOM 608 C CD2 . LEU A 1 76 ? 14.404 11.959 -1.963 1.00 91.59 76 A 1 ATOM 609 N N . ASN A 1 77 ? 9.394 14.208 -2.029 1.00 96.35 77 A 1 ATOM 610 C CA . ASN A 1 77 ? 8.361 15.159 -1.599 1.00 95.91 77 A 1 ATOM 611 C C . ASN A 1 77 ? 7.289 14.535 -0.687 1.00 96.74 77 A 1 ATOM 612 O O . ASN A 1 77 ? 6.395 15.234 -0.213 1.00 95.26 77 A 1 ATOM 613 C CB . ASN A 1 77 ? 7.725 15.777 -2.850 1.00 93.90 77 A 1 ATOM 614 C CG . ASN A 1 77 ? 8.738 16.500 -3.721 1.00 86.70 77 A 1 ATOM 615 O OD1 . ASN A 1 77 ? 9.646 17.163 -3.242 1.00 78.15 77 A 1 ATOM 616 N ND2 . ASN A 1 77 ? 8.611 16.361 -5.024 1.00 75.67 77 A 1 ATOM 617 N N . VAL A 1 78 ? 7.337 13.222 -0.440 1.00 97.62 78 A 1 ATOM 618 C CA . VAL A 1 78 ? 6.373 12.522 0.407 1.00 97.85 78 A 1 ATOM 619 C C . VAL A 1 78 ? 6.700 12.783 1.873 1.00 97.83 78 A 1 ATOM 620 O O . VAL A 1 78 ? 7.771 12.415 2.359 1.00 97.39 78 A 1 ATOM 621 C CB . VAL A 1 78 ? 6.345 11.022 0.084 1.00 97.79 78 A 1 ATOM 622 C CG1 . VAL A 1 78 ? 5.429 10.261 1.039 1.00 96.76 78 A 1 ATOM 623 C CG2 . VAL A 1 78 ? 5.845 10.795 -1.348 1.00 96.93 78 A 1 ATOM 624 N N . SER A 1 79 ? 5.769 13.392 2.608 1.00 97.96 79 A 1 ATOM 625 C CA . SER A 1 79 ? 5.894 13.615 4.051 1.00 97.86 79 A 1 ATOM 626 C C . SER A 1 79 ? 5.350 12.434 4.863 1.00 98.09 79 A 1 ATOM 627 O O . SER A 1 79 ? 4.613 11.585 4.355 1.00 97.93 79 A 1 ATOM 628 C CB . SER A 1 79 ? 5.185 14.917 4.435 1.00 97.34 79 A 1 ATOM 629 O OG . SER A 1 79 ? 3.790 14.778 4.291 1.00 95.09 79 A 1 ATOM 630 N N . SER A 1 80 ? 5.651 12.402 6.170 1.00 97.72 80 A 1 ATOM 631 C CA . SER A 1 80 ? 5.054 11.424 7.095 1.00 97.47 80 A 1 ATOM 632 C C . SER A 1 80 ? 3.525 11.535 7.156 1.00 97.82 80 A 1 ATOM 633 O O . SER A 1 80 ? 2.838 10.526 7.314 1.00 97.52 80 A 1 ATOM 634 C CB . SER A 1 80 ? 5.619 11.618 8.503 1.00 96.36 80 A 1 ATOM 635 O OG . SER A 1 80 ? 7.032 11.542 8.479 1.00 80.91 80 A 1 ATOM 636 N N . ASP A 1 81 ? 2.983 12.744 7.004 1.00 97.87 81 A 1 ATOM 637 C CA . ASP A 1 81 ? 1.535 12.946 6.971 1.00 97.89 81 A 1 ATOM 638 C C . ASP A 1 81 ? 0.920 12.428 5.671 1.00 98.18 81 A 1 ATOM 639 O O . ASP A 1 81 ? -0.162 11.838 5.704 1.00 97.92 81 A 1 ATOM 640 C CB . ASP A 1 81 ? 1.197 14.418 7.212 1.00 97.36 81 A 1 ATOM 641 C CG . ASP A 1 81 ? 1.493 14.866 8.651 1.00 91.19 81 A 1 ATOM 642 O OD1 . ASP A 1 81 ? 1.559 13.992 9.561 1.00 85.76 81 A 1 ATOM 643 O OD2 . ASP A 1 81 ? 1.634 16.090 8.831 1.00 86.20 81 A 1 ATOM 644 N N . ASP A 1 82 ? 1.620 12.533 4.540 1.00 98.26 82 A 1 ATOM 645 C CA . ASP A 1 82 ? 1.181 11.923 3.282 1.00 98.34 82 A 1 ATOM 646 C C . ASP A 1 82 ? 1.118 10.395 3.398 1.00 98.46 82 A 1 ATOM 647 O O . ASP A 1 82 ? 0.149 9.783 2.936 1.00 98.31 82 A 1 ATOM 648 C CB . ASP A 1 82 ? 2.106 12.323 2.125 1.00 98.07 82 A 1 ATOM 649 C CG . ASP A 1 82 ? 2.089 13.821 1.836 1.00 97.33 82 A 1 ATOM 650 O OD1 . ASP A 1 82 ? 0.989 14.408 1.700 1.00 95.50 82 A 1 ATOM 651 O OD2 . ASP A 1 82 ? 3.184 14.417 1.735 1.00 95.19 82 A 1 ATOM 652 N N . ILE A 1 83 ? 2.092 9.780 4.078 1.00 98.26 83 A 1 ATOM 653 C CA . ILE A 1 83 ? 2.098 8.332 4.338 1.00 98.27 83 A 1 ATOM 654 C C . ILE A 1 83 ? 0.868 7.939 5.162 1.00 98.28 83 A 1 ATOM 655 O O . ILE A 1 83 ? 0.143 7.015 4.785 1.00 98.19 83 A 1 ATOM 656 C CB . ILE A 1 83 ? 3.411 7.892 5.032 1.00 98.19 83 A 1 ATOM 657 C CG1 . ILE A 1 83 ? 4.633 8.168 4.129 1.00 97.48 83 A 1 ATOM 658 C CG2 . ILE A 1 83 ? 3.356 6.393 5.394 1.00 97.53 83 A 1 ATOM 659 C CD1 . ILE A 1 83 ? 5.987 8.011 4.829 1.00 95.37 83 A 1 ATOM 660 N N . LYS A 1 84 ? 0.585 8.659 6.260 1.00 98.38 84 A 1 ATOM 661 C CA . LYS A 1 84 ? -0.588 8.407 7.114 1.00 98.28 84 A 1 ATOM 662 C C . LYS A 1 84 ? -1.907 8.574 6.348 1.00 98.22 84 A 1 ATOM 663 O O . LYS A 1 84 ? -2.805 7.734 6.470 1.00 97.94 84 A 1 ATOM 664 C CB . LYS A 1 84 ? -0.575 9.359 8.315 1.00 98.07 84 A 1 ATOM 665 C CG . LYS A 1 84 ? 0.542 9.062 9.330 1.00 92.82 84 A 1 ATOM 666 C CD . LYS A 1 84 ? 0.594 10.200 10.352 1.00 88.86 84 A 1 ATOM 667 C CE . LYS A 1 84 ? 1.814 10.107 11.261 1.00 79.59 84 A 1 ATOM 668 N NZ . LYS A 1 84 ? 2.043 11.401 11.954 1.00 72.08 84 A 1 ATOM 669 N N . LEU A 1 85 ? -2.026 9.631 5.554 1.00 98.11 85 A 1 ATOM 670 C CA . LEU A 1 85 ? -3.217 9.895 4.747 1.00 98.02 85 A 1 ATOM 671 C C . LEU A 1 85 ? -3.431 8.811 3.691 1.00 98.08 85 A 1 ATOM 672 O O . LEU A 1 85 ? -4.539 8.277 3.580 1.00 97.93 85 A 1 ATOM 673 C CB . LEU A 1 85 ? -3.094 11.275 4.083 1.00 97.70 85 A 1 ATOM 674 C CG . LEU A 1 85 ? -3.288 12.466 5.036 1.00 88.90 85 A 1 ATOM 675 C CD1 . LEU A 1 85 ? -2.949 13.761 4.305 1.00 84.14 85 A 1 ATOM 676 C CD2 . LEU A 1 85 ? -4.731 12.564 5.542 1.00 84.56 85 A 1 ATOM 677 N N . TYR A 1 86 ? -2.385 8.444 2.961 1.00 98.31 86 A 1 ATOM 678 C CA . TYR A 1 86 ? -2.463 7.382 1.960 1.00 98.42 86 A 1 ATOM 679 C C . TYR A 1 86 ? -2.818 6.039 2.600 1.00 98.29 86 A 1 ATOM 680 O O . TYR A 1 86 ? -3.748 5.369 2.148 1.00 98.12 86 A 1 ATOM 681 C CB . TYR A 1 86 ? -1.156 7.294 1.174 1.00 98.46 86 A 1 ATOM 682 C CG . TYR A 1 86 ? -1.290 6.336 0.011 1.00 98.50 86 A 1 ATOM 683 C CD1 . TYR A 1 86 ? -1.079 4.955 0.183 1.00 98.07 86 A 1 ATOM 684 C CD2 . TYR A 1 86 ? -1.742 6.815 -1.236 1.00 98.04 86 A 1 ATOM 685 C CE1 . TYR A 1 86 ? -1.325 4.060 -0.870 1.00 97.66 86 A 1 ATOM 686 C CE2 . TYR A 1 86 ? -1.988 5.926 -2.293 1.00 97.57 86 A 1 ATOM 687 C CZ . TYR A 1 86 ? -1.787 4.547 -2.103 1.00 97.76 86 A 1 ATOM 688 O OH . TYR A 1 86 ? -2.059 3.674 -3.124 1.00 96.89 86 A 1 ATOM 689 N N . HIS A 1 87 ? -2.151 5.679 3.704 1.00 98.42 87 A 1 ATOM 690 C CA . HIS A 1 87 ? -2.424 4.450 4.448 1.00 98.36 87 A 1 ATOM 691 C C . HIS A 1 87 ? -3.887 4.385 4.906 1.00 98.24 87 A 1 ATOM 692 O O . HIS A 1 87 ? -4.548 3.361 4.723 1.00 97.93 87 A 1 ATOM 693 C CB . HIS A 1 87 ? -1.479 4.362 5.649 1.00 98.17 87 A 1 ATOM 694 C CG . HIS A 1 87 ? -1.772 3.176 6.522 1.00 97.75 87 A 1 ATOM 695 N ND1 . HIS A 1 87 ? -2.466 3.202 7.721 1.00 89.37 87 A 1 ATOM 696 C CD2 . HIS A 1 87 ? -1.464 1.868 6.249 1.00 90.45 87 A 1 ATOM 697 C CE1 . HIS A 1 87 ? -2.554 1.940 8.162 1.00 92.53 87 A 1 ATOM 698 N NE2 . HIS A 1 87 ? -1.963 1.104 7.291 1.00 93.29 87 A 1 ATOM 699 N N . LYS A 1 88 ? -4.445 5.483 5.418 1.00 98.06 88 A 1 ATOM 700 C CA . LYS A 1 88 ? -5.860 5.553 5.804 1.00 97.97 88 A 1 ATOM 701 C C . LYS A 1 88 ? -6.783 5.252 4.621 1.00 97.94 88 A 1 ATOM 702 O O . LYS A 1 88 ? -7.711 4.451 4.759 1.00 97.36 88 A 1 ATOM 703 C CB . LYS A 1 88 ? -6.144 6.927 6.428 1.00 97.59 88 A 1 ATOM 704 C CG . LYS A 1 88 ? -7.571 7.027 6.985 1.00 87.87 88 A 1 ATOM 705 C CD . LYS A 1 88 ? -7.792 8.388 7.655 1.00 84.71 88 A 1 ATOM 706 C CE . LYS A 1 88 ? -9.213 8.490 8.213 1.00 72.69 88 A 1 ATOM 707 N NZ . LYS A 1 88 ? -9.449 9.791 8.892 1.00 66.05 88 A 1 ATOM 708 N N . LEU A 1 89 ? -6.537 5.846 3.457 1.00 97.83 89 A 1 ATOM 709 C CA . LEU A 1 89 ? -7.316 5.583 2.239 1.00 97.57 89 A 1 ATOM 710 C C . LEU A 1 89 ? -7.172 4.131 1.766 1.00 97.38 89 A 1 ATOM 711 O O . LEU A 1 89 ? -8.164 3.509 1.370 1.00 96.82 89 A 1 ATOM 712 C CB . LEU A 1 89 ? -6.873 6.549 1.124 1.00 97.41 89 A 1 ATOM 713 C CG . LEU A 1 89 ? -7.227 8.030 1.362 1.00 95.86 89 A 1 ATOM 714 C CD1 . LEU A 1 89 ? -6.596 8.879 0.264 1.00 93.87 89 A 1 ATOM 715 C CD2 . LEU A 1 89 ? -8.743 8.265 1.348 1.00 93.62 89 A 1 ATOM 716 N N . PHE A 1 90 ? -5.968 3.582 1.857 1.00 97.46 90 A 1 ATOM 717 C CA . PHE A 1 90 ? -5.663 2.202 1.492 1.00 97.44 90 A 1 ATOM 718 C C . PHE A 1 90 ? -6.431 1.210 2.373 1.00 97.16 90 A 1 ATOM 719 O O . PHE A 1 90 ? -7.163 0.363 1.861 1.00 96.62 90 A 1 ATOM 720 C CB . PHE A 1 90 ? -4.147 2.000 1.574 1.00 97.40 90 A 1 ATOM 721 C CG . PHE A 1 90 ? -3.696 0.644 1.085 1.00 97.76 90 A 1 ATOM 722 C CD1 . PHE A 1 90 ? -3.561 -0.430 1.979 1.00 97.27 90 A 1 ATOM 723 C CD2 . PHE A 1 90 ? -3.407 0.453 -0.281 1.00 97.37 90 A 1 ATOM 724 C CE1 . PHE A 1 90 ? -3.136 -1.685 1.514 1.00 96.95 90 A 1 ATOM 725 C CE2 . PHE A 1 90 ? -2.980 -0.798 -0.746 1.00 96.89 90 A 1 ATOM 726 C CZ . PHE A 1 90 ? -2.843 -1.870 0.152 1.00 97.14 90 A 1 ATOM 727 N N . VAL A 1 91 ? -6.360 1.370 3.696 1.00 97.14 91 A 1 ATOM 728 C CA . VAL A 1 91 ? -7.043 0.500 4.667 1.00 96.89 91 A 1 ATOM 729 C C . VAL A 1 91 ? -8.565 0.611 4.565 1.00 96.54 91 A 1 ATOM 730 O O . VAL A 1 91 ? -9.252 -0.401 4.643 1.00 95.25 91 A 1 ATOM 731 C CB . VAL A 1 91 ? -6.546 0.804 6.091 1.00 95.88 91 A 1 ATOM 732 C CG1 . VAL A 1 91 ? -7.371 0.106 7.173 1.00 88.57 91 A 1 ATOM 733 C CG2 . VAL A 1 91 ? -5.102 0.331 6.252 1.00 89.26 91 A 1 ATOM 734 N N . ILE A 1 92 ? -9.116 1.801 4.317 1.00 96.91 92 A 1 ATOM 735 C CA . ILE A 1 92 ? -10.561 1.966 4.068 1.00 96.42 92 A 1 ATOM 736 C C . ILE A 1 92 ? -11.016 1.124 2.867 1.00 95.92 92 A 1 ATOM 737 O O . ILE A 1 92 ? -12.138 0.613 2.850 1.00 95.00 92 A 1 ATOM 738 C CB . ILE A 1 92 ? -10.906 3.463 3.884 1.00 96.36 92 A 1 ATOM 739 C CG1 . ILE A 1 92 ? -10.860 4.182 5.252 1.00 94.13 92 A 1 ATOM 740 C CG2 . ILE A 1 92 ? -12.297 3.675 3.241 1.00 93.33 92 A 1 ATOM 741 C CD1 . ILE A 1 92 ? -10.848 5.715 5.153 1.00 86.19 92 A 1 ATOM 742 N N . ARG A 1 93 ? -10.165 0.975 1.852 1.00 96.16 93 A 1 ATOM 743 C CA . ARG A 1 93 ? -10.538 0.297 0.607 1.00 95.82 93 A 1 ATOM 744 C C . ARG A 1 93 ? -10.232 -1.197 0.590 1.00 95.62 93 A 1 ATOM 745 O O . ARG A 1 93 ? -11.011 -1.960 0.010 1.00 94.11 93 A 1 ATOM 746 C CB . ARG A 1 93 ? -9.896 1.037 -0.574 1.00 95.10 93 A 1 ATOM 747 C CG . ARG A 1 93 ? -10.510 0.633 -1.921 1.00 87.38 93 A 1 ATOM 748 C CD . ARG A 1 93 ? -12.012 0.951 -1.966 1.00 84.68 93 A 1 ATOM 749 N NE . ARG A 1 93 ? -12.620 0.605 -3.256 1.00 79.31 93 A 1 ATOM 750 C CZ . ARG A 1 93 ? -13.766 -0.024 -3.444 1.00 74.06 93 A 1 ATOM 751 N NH1 . ARG A 1 93 ? -14.482 -0.482 -2.454 1.00 65.46 93 A 1 ATOM 752 N NH2 . ARG A 1 93 ? -14.227 -0.210 -4.641 1.00 65.91 93 A 1 ATOM 753 N N . PHE A 1 94 ? -9.119 -1.595 1.192 1.00 96.09 94 A 1 ATOM 754 C CA . PHE A 1 94 ? -8.630 -2.982 1.192 1.00 95.71 94 A 1 ATOM 755 C C . PHE A 1 94 ? -8.869 -3.730 2.510 1.00 94.56 94 A 1 ATOM 756 O O . PHE A 1 94 ? -8.676 -4.948 2.548 1.00 91.31 94 A 1 ATOM 757 C CB . PHE A 1 94 ? -7.154 -2.990 0.790 1.00 95.94 94 A 1 ATOM 758 C CG . PHE A 1 94 ? -6.917 -2.690 -0.674 1.00 96.63 94 A 1 ATOM 759 C CD1 . PHE A 1 94 ? -7.153 -3.688 -1.636 1.00 96.18 94 A 1 ATOM 760 C CD2 . PHE A 1 94 ? -6.436 -1.437 -1.087 1.00 96.41 94 A 1 ATOM 761 C CE1 . PHE A 1 94 ? -6.900 -3.447 -2.991 1.00 96.01 94 A 1 ATOM 762 C CE2 . PHE A 1 94 ? -6.182 -1.190 -2.447 1.00 96.06 94 A 1 ATOM 763 C CZ . PHE A 1 94 ? -6.412 -2.198 -3.398 1.00 96.26 94 A 1 ATOM 764 N N . GLY A 1 95 ? -9.320 -3.048 3.556 1.00 94.36 95 A 1 ATOM 765 C CA . GLY A 1 95 ? -9.417 -3.586 4.913 1.00 93.58 95 A 1 ATOM 766 C C . GLY A 1 95 ? -8.077 -3.543 5.658 1.00 93.33 95 A 1 ATOM 767 O O . GLY A 1 95 ? -7.025 -3.287 5.067 1.00 91.16 95 A 1 ATOM 768 N N . LYS A 1 96 ? -8.151 -3.764 6.963 1.00 90.63 96 A 1 ATOM 769 C CA . LYS A 1 96 ? -6.970 -3.887 7.825 1.00 89.94 96 A 1 ATOM 770 C C . LYS A 1 96 ? -6.287 -5.225 7.620 1.00 86.12 96 A 1 ATOM 771 O O . LYS A 1 96 ? -6.985 -6.223 7.344 1.00 76.65 96 A 1 ATOM 772 C CB . LYS A 1 96 ? -7.337 -3.673 9.302 1.00 85.84 96 A 1 ATOM 773 C CG . LYS A 1 96 ? -7.731 -2.219 9.606 1.00 78.80 96 A 1 ATOM 774 C CD . LYS A 1 96 ? -7.957 -2.039 11.111 1.00 76.45 96 A 1 ATOM 775 C CE . LYS A 1 96 ? -8.308 -0.586 11.419 1.00 68.71 96 A 1 ATOM 776 N NZ . LYS A 1 96 ? -8.498 -0.366 12.874 1.00 62.71 96 A 1 ATOM 777 O OXT . LYS A 1 96 ? -5.035 -5.251 7.750 1.00 67.12 96 A 1 #