# 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_acrif17 # _entry.id acrif17 # 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 PHE 2 1 n SER 3 1 n GLU 4 1 n ILE 5 1 n LYS 6 1 n PHE 7 1 n SER 8 1 n SER 9 1 n LEU 10 1 n SER 11 1 n ASP 12 1 n HIS 13 1 n ALA 14 1 n LEU 15 1 n ALA 16 1 n GLU 17 1 n LEU 18 1 n ILE 19 1 n LYS 20 1 n MET 21 1 n ALA 22 1 n MET 23 1 n GLU 24 1 n GLU 25 1 n PHE 26 1 n GLN 27 1 n GLN 28 1 n ARG 29 1 n LEU 30 1 n ILE 31 1 n LYS 32 1 n PRO 33 1 n GLY 34 1 n VAL 35 1 n ASN 36 1 n THR 37 1 n ILE 38 1 n LYS 39 1 n THR 40 1 n VAL 41 1 n ASP 42 1 n VAL 43 1 n GLU 44 1 n PRO 45 1 n VAL 46 1 n VAL 47 1 n LEU 48 1 n HIS 49 1 n ALA 50 1 n PRO 51 1 n SER 52 1 n ASP 53 1 n ASN 54 1 n GLU 55 1 n MET 56 1 n VAL 57 1 n PHE 58 1 n ILE 59 1 n ASN 60 1 n ASN 61 1 n CYS 62 1 n LEU 63 1 n LYS 64 1 n LYS 65 1 n ARG 66 1 n ARG 67 1 n ALA 68 1 n GLY 69 1 n GLU 70 1 n TYR 71 1 n ILE 72 1 n HIS 73 1 n ALA 74 1 n SER 75 1 n MET 76 1 n LYS 77 1 n ASP 78 1 n LYS 79 1 n TYR 80 1 n ARG 81 1 n ASP 82 1 n LEU 83 1 n THR 84 1 n ARG 85 1 n LYS 86 1 n TYR 87 1 n PRO 88 1 n GLN 89 1 n TRP 90 1 n PHE 91 1 n SER 92 1 n VAL 93 1 n LYS 94 1 n ALA 95 1 n TYR 96 1 n PRO 97 1 n ASP 98 1 n ASP 99 1 n LEU 100 1 n ARG 101 1 n GLY 102 1 n SER 103 1 n VAL 104 1 n SER 105 1 n LYS 106 1 n HIS 107 1 n TYR 108 1 n VAL 109 1 n ASP 110 1 n TYR 111 1 n PHE 112 1 n THR 113 1 n LYS 114 1 n LYS 115 1 n GLU 116 # _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 19:42:17)" _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 81.27 _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 38.83 1 1 A PHE 2 2 39.76 1 2 A SER 3 2 61.28 1 3 A GLU 4 2 60.40 1 4 A ILE 5 2 72.30 1 5 A LYS 6 2 73.04 1 6 A PHE 7 2 75.91 1 7 A SER 8 2 80.61 1 8 A SER 9 2 76.23 1 9 A LEU 10 2 71.47 1 10 A SER 11 2 77.48 1 11 A ASP 12 2 79.78 1 12 A HIS 13 2 72.23 1 13 A ALA 14 2 75.46 1 14 A LEU 15 2 73.29 1 15 A ALA 16 2 79.14 1 16 A GLU 17 2 68.10 1 17 A LEU 18 2 70.76 1 18 A ILE 19 2 79.23 1 19 A LYS 20 2 74.39 1 20 A MET 21 2 75.36 1 21 A ALA 22 2 80.63 1 22 A MET 23 2 71.61 1 23 A GLU 24 2 73.86 1 24 A GLU 25 2 72.96 1 25 A PHE 26 2 75.15 1 26 A GLN 27 2 68.84 1 27 A GLN 28 2 69.86 1 28 A ARG 29 2 68.72 1 29 A LEU 30 2 68.67 1 30 A ILE 31 2 66.09 1 31 A LYS 32 2 56.55 1 32 A PRO 33 2 56.69 1 33 A GLY 34 2 55.67 1 34 A VAL 35 2 51.58 1 35 A ASN 36 2 48.18 1 36 A THR 37 2 56.88 1 37 A ILE 38 2 52.38 1 38 A LYS 39 2 50.36 1 39 A THR 40 2 54.73 1 40 A VAL 41 2 57.70 1 41 A ASP 42 2 58.95 1 42 A VAL 43 2 63.25 1 43 A GLU 44 2 66.33 1 44 A PRO 45 2 72.24 1 45 A VAL 46 2 70.87 1 46 A VAL 47 2 80.28 1 47 A LEU 48 2 82.09 1 48 A HIS 49 2 83.58 1 49 A ALA 50 2 95.03 1 50 A PRO 51 2 96.48 1 51 A SER 52 2 96.40 1 52 A ASP 53 2 93.28 1 53 A ASN 54 2 91.00 1 54 A GLU 55 2 96.15 1 55 A MET 56 2 90.22 1 56 A VAL 57 2 97.51 1 57 A PHE 58 2 97.66 1 58 A ILE 59 2 97.39 1 59 A ASN 60 2 92.00 1 60 A ASN 61 2 95.78 1 61 A CYS 62 2 96.93 1 62 A LEU 63 2 95.32 1 63 A LYS 64 2 86.67 1 64 A LYS 65 2 92.73 1 65 A ARG 66 2 87.56 1 66 A ARG 67 2 84.62 1 67 A ALA 68 2 93.06 1 68 A GLY 69 2 92.72 1 69 A GLU 70 2 91.80 1 70 A TYR 71 2 92.74 1 71 A ILE 72 2 95.97 1 72 A HIS 73 2 91.18 1 73 A ALA 74 2 97.43 1 74 A SER 75 2 96.96 1 75 A MET 76 2 95.99 1 76 A LYS 77 2 94.94 1 77 A ASP 78 2 96.33 1 78 A LYS 79 2 93.13 1 79 A TYR 80 2 97.60 1 80 A ARG 81 2 85.05 1 81 A ASP 82 2 96.45 1 82 A LEU 83 2 97.45 1 83 A THR 84 2 93.76 1 84 A ARG 85 2 88.96 1 85 A LYS 86 2 94.21 1 86 A TYR 87 2 96.37 1 87 A PRO 88 2 95.88 1 88 A GLN 89 2 87.06 1 89 A TRP 90 2 94.91 1 90 A PHE 91 2 95.68 1 91 A SER 92 2 90.53 1 92 A VAL 93 2 90.27 1 93 A LYS 94 2 89.12 1 94 A ALA 95 2 92.26 1 95 A TYR 96 2 93.94 1 96 A PRO 97 2 96.25 1 97 A ASP 98 2 89.50 1 98 A ASP 99 2 93.60 1 99 A LEU 100 2 95.40 1 100 A ARG 101 2 86.89 1 101 A GLY 102 2 90.04 1 102 A SER 103 2 90.15 1 103 A VAL 104 2 88.08 1 104 A SER 105 2 90.79 1 105 A LYS 106 2 83.29 1 106 A HIS 107 2 86.41 1 107 A TYR 108 2 89.54 1 108 A VAL 109 2 90.81 1 109 A ASP 110 2 89.73 1 110 A TYR 111 2 89.69 1 111 A PHE 112 2 83.77 1 112 A THR 113 2 81.79 1 113 A LYS 114 2 70.79 1 114 A LYS 115 2 65.11 1 115 A GLU 116 2 58.35 1 116 # _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 PHE . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n MET . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n GLN . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n LYS . 32 A 32 A 33 1 n PRO . 33 A 33 A 34 1 n GLY . 34 A 34 A 35 1 n VAL . 35 A 35 A 36 1 n ASN . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n THR . 40 A 40 A 41 1 n VAL . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n GLU . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n VAL . 47 A 47 A 48 1 n LEU . 48 A 48 A 49 1 n HIS . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n PRO . 51 A 51 A 52 1 n SER . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n GLU . 55 A 55 A 56 1 n MET . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n PHE . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n ASN . 60 A 60 A 61 1 n ASN . 61 A 61 A 62 1 n CYS . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n LYS . 65 A 65 A 66 1 n ARG . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n GLY . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n HIS . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n MET . 76 A 76 A 77 1 n LYS . 77 A 77 A 78 1 n ASP . 78 A 78 A 79 1 n LYS . 79 A 79 A 80 1 n TYR . 80 A 80 A 81 1 n ARG . 81 A 81 A 82 1 n ASP . 82 A 82 A 83 1 n LEU . 83 A 83 A 84 1 n THR . 84 A 84 A 85 1 n ARG . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n TYR . 87 A 87 A 88 1 n PRO . 88 A 88 A 89 1 n GLN . 89 A 89 A 90 1 n TRP . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n SER . 92 A 92 A 93 1 n VAL . 93 A 93 A 94 1 n LYS . 94 A 94 A 95 1 n ALA . 95 A 95 A 96 1 n TYR . 96 A 96 A 97 1 n PRO . 97 A 97 A 98 1 n ASP . 98 A 98 A 99 1 n ASP . 99 A 99 A 100 1 n LEU . 100 A 100 A 101 1 n ARG . 101 A 101 A 102 1 n GLY . 102 A 102 A 103 1 n SER . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n SER . 105 A 105 A 106 1 n LYS . 106 A 106 A 107 1 n HIS . 107 A 107 A 108 1 n TYR . 108 A 108 A 109 1 n VAL . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n TYR . 111 A 111 A 112 1 n PHE . 112 A 112 A 113 1 n THR . 113 A 113 A 114 1 n LYS . 114 A 114 A 115 1 n LYS . 115 A 115 A 116 1 n GLU . 116 A 116 # _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 ? -36.578 8.415 0.963 1.00 35.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -37.319 9.677 1.167 1.00 43.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -37.405 9.912 2.663 1.00 44.67 1 A 1 ATOM 4 O O . MET A 1 1 ? -38.122 9.182 3.323 1.00 43.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -38.741 9.622 0.576 1.00 43.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? -38.791 10.023 -0.896 1.00 36.78 1 A 1 ATOM 7 S SD . MET A 1 1 ? -40.474 9.934 -1.563 1.00 34.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? -40.213 10.564 -3.237 1.00 29.51 1 A 1 ATOM 9 N N . PHE A 1 2 ? -36.635 10.845 3.204 1.00 42.93 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -36.802 11.287 4.587 1.00 45.36 2 A 1 ATOM 11 C C . PHE A 1 2 ? -37.847 12.400 4.558 1.00 45.46 2 A 1 ATOM 12 O O . PHE A 1 2 ? -37.586 13.484 4.044 1.00 41.94 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -35.458 11.743 5.172 1.00 42.78 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -34.474 10.602 5.385 1.00 40.47 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -34.568 9.804 6.542 1.00 37.38 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -33.482 10.320 4.428 1.00 36.40 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -33.670 8.737 6.743 1.00 34.37 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -32.588 9.250 4.626 1.00 34.68 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -32.682 8.459 5.783 1.00 35.54 2 A 1 ATOM 20 N N . SER A 1 3 ? -39.073 12.110 5.030 1.00 61.90 3 A 1 ATOM 21 C CA . SER A 1 3 ? -40.091 13.126 5.283 1.00 65.24 3 A 1 ATOM 22 C C . SER A 1 3 ? -39.530 14.103 6.323 1.00 66.75 3 A 1 ATOM 23 O O . SER A 1 3 ? -39.009 13.675 7.346 1.00 61.32 3 A 1 ATOM 24 C CB . SER A 1 3 ? -41.395 12.478 5.779 1.00 59.86 3 A 1 ATOM 25 O OG . SER A 1 3 ? -41.336 11.066 5.823 1.00 52.59 3 A 1 ATOM 26 N N . GLU A 1 4 ? -39.599 15.405 6.053 1.00 66.81 4 A 1 ATOM 27 C CA . GLU A 1 4 ? -39.167 16.435 7.004 1.00 71.60 4 A 1 ATOM 28 C C . GLU A 1 4 ? -39.994 16.330 8.291 1.00 73.82 4 A 1 ATOM 29 O O . GLU A 1 4 ? -41.173 16.702 8.334 1.00 69.96 4 A 1 ATOM 30 C CB . GLU A 1 4 ? -39.321 17.841 6.397 1.00 64.97 4 A 1 ATOM 31 C CG . GLU A 1 4 ? -38.257 18.177 5.341 1.00 54.76 4 A 1 ATOM 32 C CD . GLU A 1 4 ? -38.425 19.593 4.759 1.00 49.78 4 A 1 ATOM 33 O OE1 . GLU A 1 4 ? -37.420 20.127 4.242 1.00 45.66 4 A 1 ATOM 34 O OE2 . GLU A 1 4 ? -39.558 20.124 4.818 1.00 46.21 4 A 1 ATOM 35 N N . ILE A 1 5 ? -39.391 15.812 9.357 1.00 74.24 5 A 1 ATOM 36 C CA . ILE A 1 5 ? -40.005 15.766 10.683 1.00 75.64 5 A 1 ATOM 37 C C . ILE A 1 5 ? -39.976 17.190 11.246 1.00 76.06 5 A 1 ATOM 38 O O . ILE A 1 5 ? -38.914 17.743 11.526 1.00 73.48 5 A 1 ATOM 39 C CB . ILE A 1 5 ? -39.293 14.740 11.600 1.00 73.67 5 A 1 ATOM 40 C CG1 . ILE A 1 5 ? -39.375 13.316 10.991 1.00 69.87 5 A 1 ATOM 41 C CG2 . ILE A 1 5 ? -39.922 14.764 13.007 1.00 69.30 5 A 1 ATOM 42 C CD1 . ILE A 1 5 ? -38.565 12.254 11.749 1.00 66.17 5 A 1 ATOM 43 N N . LYS A 1 6 ? -41.158 17.798 11.430 1.00 80.40 6 A 1 ATOM 44 C CA . LYS A 1 6 ? -41.289 19.098 12.095 1.00 81.01 6 A 1 ATOM 45 C C . LYS A 1 6 ? -41.230 18.903 13.611 1.00 81.05 6 A 1 ATOM 46 O O . LYS A 1 6 ? -42.256 18.679 14.250 1.00 79.26 6 A 1 ATOM 47 C CB . LYS A 1 6 ? -42.576 19.816 11.658 1.00 78.24 6 A 1 ATOM 48 C CG . LYS A 1 6 ? -42.487 20.333 10.219 1.00 72.61 6 A 1 ATOM 49 C CD . LYS A 1 6 ? -43.727 21.165 9.868 1.00 68.58 6 A 1 ATOM 50 C CE . LYS A 1 6 ? -43.614 21.685 8.433 1.00 62.31 6 A 1 ATOM 51 N NZ . LYS A 1 6 ? -44.774 22.510 8.052 1.00 53.93 6 A 1 ATOM 52 N N . PHE A 1 7 ? -40.047 19.032 14.199 1.00 80.24 7 A 1 ATOM 53 C CA . PHE A 1 7 ? -39.816 18.864 15.642 1.00 80.23 7 A 1 ATOM 54 C C . PHE A 1 7 ? -40.680 19.789 16.512 1.00 81.55 7 A 1 ATOM 55 O O . PHE A 1 7 ? -41.097 19.392 17.592 1.00 77.95 7 A 1 ATOM 56 C CB . PHE A 1 7 ? -38.325 19.077 15.939 1.00 77.76 7 A 1 ATOM 57 C CG . PHE A 1 7 ? -37.429 18.070 15.239 1.00 77.47 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? -37.351 16.751 15.725 1.00 72.84 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? -36.700 18.432 14.090 1.00 72.85 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? -36.548 15.801 15.069 1.00 70.61 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? -35.900 17.478 13.431 1.00 71.02 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? -35.823 16.162 13.922 1.00 72.44 7 A 1 ATOM 63 N N . SER A 1 8 ? -41.028 20.985 16.016 1.00 82.60 8 A 1 ATOM 64 C CA . SER A 1 8 ? -41.874 21.956 16.724 1.00 82.20 8 A 1 ATOM 65 C C . SER A 1 8 ? -43.341 21.532 16.886 1.00 82.24 8 A 1 ATOM 66 O O . SER A 1 8 ? -44.073 22.176 17.630 1.00 79.96 8 A 1 ATOM 67 C CB . SER A 1 8 ? -41.825 23.295 15.982 1.00 81.42 8 A 1 ATOM 68 O OG . SER A 1 8 ? -42.250 23.135 14.636 1.00 75.21 8 A 1 ATOM 69 N N . SER A 1 9 ? -43.801 20.508 16.169 1.00 77.58 9 A 1 ATOM 70 C CA . SER A 1 9 ? -45.170 19.981 16.276 1.00 78.29 9 A 1 ATOM 71 C C . SER A 1 9 ? -45.289 18.738 17.167 1.00 79.08 9 A 1 ATOM 72 O O . SER A 1 9 ? -46.392 18.226 17.347 1.00 76.06 9 A 1 ATOM 73 C CB . SER A 1 9 ? -45.756 19.718 14.885 1.00 77.08 9 A 1 ATOM 74 O OG . SER A 1 9 ? -45.077 18.692 14.181 1.00 69.27 9 A 1 ATOM 75 N N . LEU A 1 10 ? -44.179 18.244 17.709 1.00 73.72 10 A 1 ATOM 76 C CA . LEU A 1 10 ? -44.146 17.097 18.612 1.00 74.05 10 A 1 ATOM 77 C C . LEU A 1 10 ? -44.347 17.555 20.061 1.00 74.86 10 A 1 ATOM 78 O O . LEU A 1 10 ? -43.842 18.601 20.463 1.00 73.48 10 A 1 ATOM 79 C CB . LEU A 1 10 ? -42.815 16.343 18.435 1.00 72.71 10 A 1 ATOM 80 C CG . LEU A 1 10 ? -42.661 15.664 17.058 1.00 70.56 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? -41.221 15.189 16.868 1.00 65.67 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? -43.578 14.450 16.909 1.00 66.69 10 A 1 ATOM 83 N N . SER A 1 11 ? -45.066 16.756 20.857 1.00 78.33 11 A 1 ATOM 84 C CA . SER A 1 11 ? -45.071 16.921 22.313 1.00 78.73 11 A 1 ATOM 85 C C . SER A 1 11 ? -43.699 16.570 22.898 1.00 79.28 11 A 1 ATOM 86 O O . SER A 1 11 ? -42.964 15.767 22.316 1.00 77.41 11 A 1 ATOM 87 C CB . SER A 1 11 ? -46.174 16.068 22.955 1.00 77.44 11 A 1 ATOM 88 O OG . SER A 1 11 ? -45.917 14.684 22.800 1.00 73.68 11 A 1 ATOM 89 N N . ASP A 1 12 ? -43.381 17.091 24.089 1.00 81.57 12 A 1 ATOM 90 C CA . ASP A 1 12 ? -42.111 16.797 24.776 1.00 82.69 12 A 1 ATOM 91 C C . ASP A 1 12 ? -41.888 15.288 24.972 1.00 83.64 12 A 1 ATOM 92 O O . ASP A 1 12 ? -40.772 14.788 24.826 1.00 81.77 12 A 1 ATOM 93 C CB . ASP A 1 12 ? -42.091 17.498 26.147 1.00 81.37 12 A 1 ATOM 94 C CG . ASP A 1 12 ? -42.119 19.025 26.061 1.00 80.75 12 A 1 ATOM 95 O OD1 . ASP A 1 12 ? -41.758 19.565 24.993 1.00 73.09 12 A 1 ATOM 96 O OD2 . ASP A 1 12 ? -42.536 19.636 27.067 1.00 73.33 12 A 1 ATOM 97 N N . HIS A 1 13 ? -42.964 14.544 25.232 1.00 78.34 13 A 1 ATOM 98 C CA . HIS A 1 13 ? -42.910 13.091 25.365 1.00 79.38 13 A 1 ATOM 99 C C . HIS A 1 13 ? -42.547 12.397 24.043 1.00 79.23 13 A 1 ATOM 100 O O . HIS A 1 13 ? -41.635 11.570 24.010 1.00 75.93 13 A 1 ATOM 101 C CB . HIS A 1 13 ? -44.249 12.584 25.913 1.00 78.25 13 A 1 ATOM 102 C CG . HIS A 1 13 ? -44.215 11.115 26.257 1.00 76.75 13 A 1 ATOM 103 N ND1 . HIS A 1 13 ? -43.416 10.524 27.212 1.00 64.90 13 A 1 ATOM 104 C CD2 . HIS A 1 13 ? -44.953 10.118 25.679 1.00 63.24 13 A 1 ATOM 105 C CE1 . HIS A 1 13 ? -43.665 9.205 27.206 1.00 61.75 13 A 1 ATOM 106 N NE2 . HIS A 1 13 ? -44.598 8.910 26.292 1.00 64.52 13 A 1 ATOM 107 N N . ALA A 1 14 ? -43.209 12.779 22.941 1.00 74.69 14 A 1 ATOM 108 C CA . ALA A 1 14 ? -42.927 12.219 21.619 1.00 74.94 14 A 1 ATOM 109 C C . ALA A 1 14 ? -41.514 12.584 21.125 1.00 76.95 14 A 1 ATOM 110 O O . ALA A 1 14 ? -40.844 11.771 20.488 1.00 76.65 14 A 1 ATOM 111 C CB . ALA A 1 14 ? -44.007 12.718 20.649 1.00 74.05 14 A 1 ATOM 112 N N . LEU A 1 15 ? -41.043 13.796 21.447 1.00 76.41 15 A 1 ATOM 113 C CA . LEU A 1 15 ? -39.677 14.220 21.146 1.00 76.40 15 A 1 ATOM 114 C C . LEU A 1 15 ? -38.642 13.400 21.933 1.00 76.92 15 A 1 ATOM 115 O O . LEU A 1 15 ? -37.655 12.949 21.358 1.00 78.11 15 A 1 ATOM 116 C CB . LEU A 1 15 ? -39.563 15.731 21.424 1.00 75.41 15 A 1 ATOM 117 C CG . LEU A 1 15 ? -38.189 16.326 21.074 1.00 70.96 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? -37.871 16.220 19.580 1.00 65.76 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? -38.156 17.804 21.466 1.00 66.36 15 A 1 ATOM 120 N N . ALA A 1 16 ? -38.884 13.172 23.235 1.00 80.17 16 A 1 ATOM 121 C CA . ALA A 1 16 ? -38.005 12.351 24.072 1.00 78.78 16 A 1 ATOM 122 C C . ALA A 1 16 ? -37.924 10.895 23.580 1.00 79.31 16 A 1 ATOM 123 O O . ALA A 1 16 ? -36.835 10.318 23.528 1.00 79.08 16 A 1 ATOM 124 C CB . ALA A 1 16 ? -38.498 12.430 25.521 1.00 78.34 16 A 1 ATOM 125 N N . GLU A 1 17 ? -39.045 10.328 23.164 1.00 72.09 17 A 1 ATOM 126 C CA . GLU A 1 17 ? -39.101 8.974 22.599 1.00 73.49 17 A 1 ATOM 127 C C . GLU A 1 17 ? -38.341 8.879 21.266 1.00 74.72 17 A 1 ATOM 128 O O . GLU A 1 17 ? -37.530 7.967 21.078 1.00 75.60 17 A 1 ATOM 129 C CB . GLU A 1 17 ? -40.575 8.565 22.474 1.00 74.31 17 A 1 ATOM 130 C CG . GLU A 1 17 ? -40.741 7.073 22.143 1.00 67.71 17 A 1 ATOM 131 C CD . GLU A 1 17 ? -42.202 6.596 22.255 1.00 62.32 17 A 1 ATOM 132 O OE1 . GLU A 1 17 ? -42.389 5.365 22.400 1.00 55.47 17 A 1 ATOM 133 O OE2 . GLU A 1 17 ? -43.116 7.451 22.219 1.00 57.17 17 A 1 ATOM 134 N N . LEU A 1 18 ? -38.501 9.874 20.386 1.00 73.51 18 A 1 ATOM 135 C CA . LEU A 1 18 ? -37.758 9.948 19.126 1.00 73.19 18 A 1 ATOM 136 C C . LEU A 1 18 ? -36.238 10.046 19.354 1.00 72.46 18 A 1 ATOM 137 O O . LEU A 1 18 ? -35.464 9.365 18.680 1.00 74.96 18 A 1 ATOM 138 C CB . LEU A 1 18 ? -38.269 11.160 18.328 1.00 73.84 18 A 1 ATOM 139 C CG . LEU A 1 18 ? -37.769 11.151 16.869 1.00 68.95 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? -38.791 10.486 15.946 1.00 64.07 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? -37.531 12.582 16.376 1.00 65.13 18 A 1 ATOM 142 N N . ILE A 1 19 ? -35.804 10.880 20.316 1.00 81.97 19 A 1 ATOM 143 C CA . ILE A 1 19 ? -34.387 11.011 20.693 1.00 80.71 19 A 1 ATOM 144 C C . ILE A 1 19 ? -33.853 9.673 21.211 1.00 80.96 19 A 1 ATOM 145 O O . ILE A 1 19 ? -32.778 9.244 20.790 1.00 81.14 19 A 1 ATOM 146 C CB . ILE A 1 19 ? -34.196 12.144 21.728 1.00 80.44 19 A 1 ATOM 147 C CG1 . ILE A 1 19 ? -34.437 13.518 21.061 1.00 79.16 19 A 1 ATOM 148 C CG2 . ILE A 1 19 ? -32.781 12.113 22.349 1.00 77.47 19 A 1 ATOM 149 C CD1 . ILE A 1 19 ? -34.601 14.673 22.061 1.00 72.00 19 A 1 ATOM 150 N N . LYS A 1 20 ? -34.612 8.999 22.085 1.00 80.48 20 A 1 ATOM 151 C CA . LYS A 1 20 ? -34.229 7.693 22.627 1.00 79.52 20 A 1 ATOM 152 C C . LYS A 1 20 ? -34.030 6.663 21.511 1.00 79.20 20 A 1 ATOM 153 O O . LYS A 1 20 ? -32.966 6.047 21.444 1.00 79.49 20 A 1 ATOM 154 C CB . LYS A 1 20 ? -35.285 7.249 23.650 1.00 79.56 20 A 1 ATOM 155 C CG . LYS A 1 20 ? -34.886 5.928 24.314 1.00 76.30 20 A 1 ATOM 156 C CD . LYS A 1 20 ? -35.990 5.432 25.250 1.00 72.54 20 A 1 ATOM 157 C CE . LYS A 1 20 ? -35.611 4.025 25.703 1.00 65.22 20 A 1 ATOM 158 N NZ . LYS A 1 20 ? -36.709 3.374 26.446 1.00 57.18 20 A 1 ATOM 159 N N . MET A 1 21 ? -34.992 6.536 20.599 1.00 80.15 21 A 1 ATOM 160 C CA . MET A 1 21 ? -34.897 5.611 19.460 1.00 78.44 21 A 1 ATOM 161 C C . MET A 1 21 ? -33.700 5.931 18.550 1.00 79.94 21 A 1 ATOM 162 O O . MET A 1 21 ? -32.973 5.031 18.136 1.00 79.01 21 A 1 ATOM 163 C CB . MET A 1 21 ? -36.188 5.673 18.638 1.00 78.42 21 A 1 ATOM 164 C CG . MET A 1 21 ? -37.398 5.064 19.363 1.00 75.82 21 A 1 ATOM 165 S SD . MET A 1 21 ? -38.943 5.192 18.413 1.00 70.28 21 A 1 ATOM 166 C CE . MET A 1 21 ? -38.608 4.014 17.077 1.00 60.82 21 A 1 ATOM 167 N N . ALA A 1 22 ? -33.468 7.218 18.270 1.00 82.83 22 A 1 ATOM 168 C CA . ALA A 1 22 ? -32.328 7.645 17.460 1.00 80.41 22 A 1 ATOM 169 C C . ALA A 1 22 ? -30.982 7.350 18.148 1.00 80.14 22 A 1 ATOM 170 O O . ALA A 1 22 ? -30.033 6.921 17.489 1.00 79.98 22 A 1 ATOM 171 C CB . ALA A 1 22 ? -32.487 9.139 17.146 1.00 79.77 22 A 1 ATOM 172 N N . MET A 1 23 ? -30.889 7.550 19.472 1.00 77.28 23 A 1 ATOM 173 C CA . MET A 1 23 ? -29.694 7.219 20.256 1.00 75.75 23 A 1 ATOM 174 C C . MET A 1 23 ? -29.432 5.713 20.312 1.00 74.86 23 A 1 ATOM 175 O O . MET A 1 23 ? -28.279 5.307 20.171 1.00 76.05 23 A 1 ATOM 176 C CB . MET A 1 23 ? -29.807 7.777 21.679 1.00 75.26 23 A 1 ATOM 177 C CG . MET A 1 23 ? -29.550 9.282 21.732 1.00 70.82 23 A 1 ATOM 178 S SD . MET A 1 23 ? -29.487 9.962 23.416 1.00 65.16 23 A 1 ATOM 179 C CE . MET A 1 23 ? -27.949 9.223 24.032 1.00 57.67 23 A 1 ATOM 180 N N . GLU A 1 24 ? -30.468 4.894 20.487 1.00 78.44 24 A 1 ATOM 181 C CA . GLU A 1 24 ? -30.347 3.430 20.483 1.00 78.52 24 A 1 ATOM 182 C C . GLU A 1 24 ? -29.842 2.917 19.127 1.00 76.89 24 A 1 ATOM 183 O O . GLU A 1 24 ? -28.885 2.140 19.075 1.00 75.68 24 A 1 ATOM 184 C CB . GLU A 1 24 ? -31.697 2.784 20.849 1.00 79.46 24 A 1 ATOM 185 C CG . GLU A 1 24 ? -32.011 2.899 22.352 1.00 75.71 24 A 1 ATOM 186 C CD . GLU A 1 24 ? -33.403 2.357 22.749 1.00 69.41 24 A 1 ATOM 187 O OE1 . GLU A 1 24 ? -33.745 2.461 23.953 1.00 64.96 24 A 1 ATOM 188 O OE2 . GLU A 1 24 ? -34.132 1.850 21.871 1.00 65.68 24 A 1 ATOM 189 N N . GLU A 1 25 ? -30.409 3.415 18.028 1.00 79.09 25 A 1 ATOM 190 C CA . GLU A 1 25 ? -29.950 3.081 16.672 1.00 76.37 25 A 1 ATOM 191 C C . GLU A 1 25 ? -28.503 3.546 16.434 1.00 74.51 25 A 1 ATOM 192 O O . GLU A 1 25 ? -27.683 2.811 15.881 1.00 72.22 25 A 1 ATOM 193 C CB . GLU A 1 25 ? -30.921 3.720 15.670 1.00 77.08 25 A 1 ATOM 194 C CG . GLU A 1 25 ? -30.540 3.543 14.191 1.00 73.43 25 A 1 ATOM 195 C CD . GLU A 1 25 ? -30.498 2.092 13.685 1.00 72.08 25 A 1 ATOM 196 O OE1 . GLU A 1 25 ? -29.888 1.918 12.595 1.00 65.21 25 A 1 ATOM 197 O OE2 . GLU A 1 25 ? -31.073 1.196 14.334 1.00 66.65 25 A 1 ATOM 198 N N . PHE A 1 26 ? -28.148 4.753 16.887 1.00 81.49 26 A 1 ATOM 199 C CA . PHE A 1 26 ? -26.783 5.269 16.781 1.00 78.48 26 A 1 ATOM 200 C C . PHE A 1 26 ? -25.788 4.425 17.590 1.00 77.31 26 A 1 ATOM 201 O O . PHE A 1 26 ? -24.726 4.071 17.076 1.00 75.56 26 A 1 ATOM 202 C CB . PHE A 1 26 ? -26.762 6.739 17.210 1.00 77.42 26 A 1 ATOM 203 C CG . PHE A 1 26 ? -25.404 7.394 17.054 1.00 76.56 26 A 1 ATOM 204 C CD1 . PHE A 1 26 ? -24.666 7.773 18.189 1.00 72.70 26 A 1 ATOM 205 C CD2 . PHE A 1 26 ? -24.879 7.618 15.768 1.00 72.22 26 A 1 ATOM 206 C CE1 . PHE A 1 26 ? -23.413 8.388 18.036 1.00 70.19 26 A 1 ATOM 207 C CE2 . PHE A 1 26 ? -23.625 8.226 15.616 1.00 72.04 26 A 1 ATOM 208 C CZ . PHE A 1 26 ? -22.889 8.615 16.752 1.00 72.70 26 A 1 ATOM 209 N N . GLN A 1 27 ? -26.141 4.031 18.818 1.00 76.48 27 A 1 ATOM 210 C CA . GLN A 1 27 ? -25.326 3.133 19.637 1.00 73.80 27 A 1 ATOM 211 C C . GLN A 1 27 ? -25.153 1.757 18.984 1.00 72.08 27 A 1 ATOM 212 O O . GLN A 1 27 ? -24.036 1.247 18.950 1.00 71.33 27 A 1 ATOM 213 C CB . GLN A 1 27 ? -25.936 2.979 21.035 1.00 73.48 27 A 1 ATOM 214 C CG . GLN A 1 27 ? -25.658 4.200 21.924 1.00 69.04 27 A 1 ATOM 215 C CD . GLN A 1 27 ? -26.248 4.042 23.326 1.00 65.13 27 A 1 ATOM 216 O OE1 . GLN A 1 27 ? -26.928 3.088 23.662 1.00 61.39 27 A 1 ATOM 217 N NE2 . GLN A 1 27 ? -25.992 4.970 24.218 1.00 56.87 27 A 1 ATOM 218 N N . GLN A 1 28 ? -26.208 1.183 18.397 1.00 76.90 28 A 1 ATOM 219 C CA . GLN A 1 28 ? -26.094 -0.086 17.669 1.00 74.39 28 A 1 ATOM 220 C C . GLN A 1 28 ? -25.137 0.009 16.472 1.00 73.05 28 A 1 ATOM 221 O O . GLN A 1 28 ? -24.405 -0.942 16.184 1.00 69.95 28 A 1 ATOM 222 C CB . GLN A 1 28 ? -27.470 -0.539 17.177 1.00 73.92 28 A 1 ATOM 223 C CG . GLN A 1 28 ? -28.360 -1.076 18.306 1.00 71.60 28 A 1 ATOM 224 C CD . GLN A 1 28 ? -29.707 -1.563 17.784 1.00 66.56 28 A 1 ATOM 225 O OE1 . GLN A 1 28 ? -29.898 -1.810 16.602 1.00 63.27 28 A 1 ATOM 226 N NE2 . GLN A 1 28 ? -30.679 -1.765 18.638 1.00 59.10 28 A 1 ATOM 227 N N . ARG A 1 29 ? -25.093 1.159 15.782 1.00 75.32 29 A 1 ATOM 228 C CA . ARG A 1 29 ? -24.131 1.412 14.692 1.00 72.45 29 A 1 ATOM 229 C C . ARG A 1 29 ? -22.699 1.568 15.205 1.00 70.88 29 A 1 ATOM 230 O O . ARG A 1 29 ? -21.783 1.088 14.547 1.00 68.43 29 A 1 ATOM 231 C CB . ARG A 1 29 ? -24.559 2.642 13.888 1.00 72.03 29 A 1 ATOM 232 C CG . ARG A 1 29 ? -25.840 2.369 13.093 1.00 72.25 29 A 1 ATOM 233 C CD . ARG A 1 29 ? -26.319 3.652 12.418 1.00 71.19 29 A 1 ATOM 234 N NE . ARG A 1 29 ? -27.630 3.434 11.795 1.00 67.66 29 A 1 ATOM 235 C CZ . ARG A 1 29 ? -28.242 4.171 10.900 1.00 64.44 29 A 1 ATOM 236 N NH1 . ARG A 1 29 ? -27.687 5.236 10.372 1.00 62.16 29 A 1 ATOM 237 N NH2 . ARG A 1 29 ? -29.444 3.837 10.545 1.00 59.07 29 A 1 ATOM 238 N N . LEU A 1 30 ? -22.513 2.178 16.389 1.00 75.06 30 A 1 ATOM 239 C CA . LEU A 1 30 ? -21.200 2.299 17.041 1.00 71.29 30 A 1 ATOM 240 C C . LEU A 1 30 ? -20.680 0.959 17.589 1.00 68.86 30 A 1 ATOM 241 O O . LEU A 1 30 ? -19.482 0.700 17.539 1.00 66.55 30 A 1 ATOM 242 C CB . LEU A 1 30 ? -21.283 3.331 18.179 1.00 70.68 30 A 1 ATOM 243 C CG . LEU A 1 30 ? -21.442 4.798 17.735 1.00 67.72 30 A 1 ATOM 244 C CD1 . LEU A 1 30 ? -21.611 5.660 18.990 1.00 65.61 30 A 1 ATOM 245 C CD2 . LEU A 1 30 ? -20.225 5.310 16.965 1.00 63.59 30 A 1 ATOM 246 N N . ILE A 1 31 ? -21.571 0.088 18.095 1.00 71.79 31 A 1 ATOM 247 C CA . ILE A 1 31 ? -21.219 -1.241 18.638 1.00 68.98 31 A 1 ATOM 248 C C . ILE A 1 31 ? -20.911 -2.256 17.522 1.00 66.33 31 A 1 ATOM 249 O O . ILE A 1 31 ? -20.363 -3.322 17.788 1.00 62.25 31 A 1 ATOM 250 C CB . ILE A 1 31 ? -22.325 -1.718 19.615 1.00 67.83 31 A 1 ATOM 251 C CG1 . ILE A 1 31 ? -22.389 -0.789 20.858 1.00 65.72 31 A 1 ATOM 252 C CG2 . ILE A 1 31 ? -22.122 -3.171 20.105 1.00 65.25 31 A 1 ATOM 253 C CD1 . ILE A 1 31 ? -23.680 -0.941 21.675 1.00 60.61 31 A 1 ATOM 254 N N . LYS A 1 32 ? -21.173 -1.937 16.253 1.00 64.27 32 A 1 ATOM 255 C CA . LYS A 1 32 ? -20.605 -2.676 15.114 1.00 63.16 32 A 1 ATOM 256 C C . LYS A 1 32 ? -19.266 -2.043 14.696 1.00 59.15 32 A 1 ATOM 257 O O . LYS A 1 32 ? -19.220 -1.398 13.644 1.00 55.04 32 A 1 ATOM 258 C CB . LYS A 1 32 ? -21.617 -2.736 13.954 1.00 61.01 32 A 1 ATOM 259 C CG . LYS A 1 32 ? -22.826 -3.624 14.271 1.00 56.96 32 A 1 ATOM 260 C CD . LYS A 1 32 ? -23.818 -3.597 13.099 1.00 54.91 32 A 1 ATOM 261 C CE . LYS A 1 32 ? -25.059 -4.419 13.458 1.00 50.47 32 A 1 ATOM 262 N NZ . LYS A 1 32 ? -26.103 -4.313 12.404 1.00 43.96 32 A 1 ATOM 263 N N . PRO A 1 33 ? -18.177 -2.201 15.469 1.00 60.06 33 A 1 ATOM 264 C CA . PRO A 1 33 ? -16.884 -1.830 14.945 1.00 58.67 33 A 1 ATOM 265 C C . PRO A 1 33 ? -16.587 -2.828 13.822 1.00 57.85 33 A 1 ATOM 266 O O . PRO A 1 33 ? -16.430 -4.025 14.050 1.00 54.13 33 A 1 ATOM 267 C CB . PRO A 1 33 ? -15.918 -1.909 16.130 1.00 55.11 33 A 1 ATOM 268 C CG . PRO A 1 33 ? -16.517 -3.005 17.010 1.00 53.60 33 A 1 ATOM 269 C CD . PRO A 1 33 ? -18.024 -2.932 16.720 1.00 57.39 33 A 1 ATOM 270 N N . GLY A 1 34 ? -16.550 -2.345 12.592 1.00 56.55 34 A 1 ATOM 271 C CA . GLY A 1 34 ? -15.719 -3.025 11.612 1.00 56.60 34 A 1 ATOM 272 C C . GLY A 1 34 ? -14.354 -3.167 12.264 1.00 56.30 34 A 1 ATOM 273 O O . GLY A 1 34 ? -13.788 -2.162 12.704 1.00 53.23 34 A 1 ATOM 274 N N . VAL A 1 35 ? -13.878 -4.402 12.430 1.00 52.03 35 A 1 ATOM 275 C CA . VAL A 1 35 ? -12.573 -4.680 13.036 1.00 54.95 35 A 1 ATOM 276 C C . VAL A 1 35 ? -11.507 -4.091 12.110 1.00 56.27 35 A 1 ATOM 277 O O . VAL A 1 35 ? -10.962 -4.765 11.245 1.00 52.51 35 A 1 ATOM 278 C CB . VAL A 1 35 ? -12.385 -6.192 13.295 1.00 52.03 35 A 1 ATOM 279 C CG1 . VAL A 1 35 ? -11.021 -6.497 13.934 1.00 45.84 35 A 1 ATOM 280 C CG2 . VAL A 1 35 ? -13.464 -6.735 14.242 1.00 47.46 35 A 1 ATOM 281 N N . ASN A 1 36 ? -11.252 -2.792 12.262 1.00 49.14 36 A 1 ATOM 282 C CA . ASN A 1 36 ? -10.090 -2.153 11.683 1.00 52.83 36 A 1 ATOM 283 C C . ASN A 1 36 ? -8.916 -2.545 12.574 1.00 52.33 36 A 1 ATOM 284 O O . ASN A 1 36 ? -8.603 -1.870 13.549 1.00 51.38 36 A 1 ATOM 285 C CB . ASN A 1 36 ? -10.314 -0.632 11.571 1.00 51.71 36 A 1 ATOM 286 C CG . ASN A 1 36 ? -11.253 -0.260 10.435 1.00 45.40 36 A 1 ATOM 287 O OD1 . ASN A 1 36 ? -11.360 -0.927 9.420 1.00 42.22 36 A 1 ATOM 288 N ND2 . ASN A 1 36 ? -11.944 0.850 10.549 1.00 40.42 36 A 1 ATOM 289 N N . THR A 1 37 ? -8.288 -3.674 12.249 1.00 57.10 37 A 1 ATOM 290 C CA . THR A 1 37 ? -6.992 -4.043 12.824 1.00 60.49 37 A 1 ATOM 291 C C . THR A 1 37 ? -5.947 -3.055 12.305 1.00 60.81 37 A 1 ATOM 292 O O . THR A 1 37 ? -5.244 -3.313 11.332 1.00 59.81 37 A 1 ATOM 293 C CB . THR A 1 37 ? -6.625 -5.498 12.492 1.00 58.43 37 A 1 ATOM 294 O OG1 . THR A 1 37 ? -7.680 -6.362 12.839 1.00 50.56 37 A 1 ATOM 295 C CG2 . THR A 1 37 ? -5.399 -5.974 13.274 1.00 50.96 37 A 1 ATOM 296 N N . ILE A 1 38 ? -5.877 -1.883 12.942 1.00 53.05 38 A 1 ATOM 297 C CA . ILE A 1 38 ? -4.776 -0.945 12.728 1.00 56.44 38 A 1 ATOM 298 C C . ILE A 1 38 ? -3.582 -1.545 13.472 1.00 56.31 38 A 1 ATOM 299 O O . ILE A 1 38 ? -3.485 -1.463 14.690 1.00 54.54 38 A 1 ATOM 300 C CB . ILE A 1 38 ? -5.128 0.491 13.188 1.00 54.68 38 A 1 ATOM 301 C CG1 . ILE A 1 38 ? -6.425 0.992 12.497 1.00 49.15 38 A 1 ATOM 302 C CG2 . ILE A 1 38 ? -3.952 1.430 12.869 1.00 48.68 38 A 1 ATOM 303 C CD1 . ILE A 1 38 ? -6.907 2.371 12.974 1.00 46.16 38 A 1 ATOM 304 N N . LYS A 1 39 ? -2.692 -2.201 12.738 1.00 52.71 39 A 1 ATOM 305 C CA . LYS A 1 39 ? -1.356 -2.503 13.251 1.00 56.50 39 A 1 ATOM 306 C C . LYS A 1 39 ? -0.599 -1.179 13.336 1.00 54.82 39 A 1 ATOM 307 O O . LYS A 1 39 ? 0.057 -0.778 12.375 1.00 53.53 39 A 1 ATOM 308 C CB . LYS A 1 39 ? -0.631 -3.521 12.358 1.00 55.80 39 A 1 ATOM 309 C CG . LYS A 1 39 ? -1.237 -4.932 12.453 1.00 50.59 39 A 1 ATOM 310 C CD . LYS A 1 39 ? -0.402 -5.917 11.625 1.00 47.52 39 A 1 ATOM 311 C CE . LYS A 1 39 ? -0.998 -7.330 11.723 1.00 43.72 39 A 1 ATOM 312 N NZ . LYS A 1 39 ? -0.190 -8.313 10.955 1.00 38.09 39 A 1 ATOM 313 N N . THR A 1 40 ? -0.715 -0.483 14.467 1.00 56.45 40 A 1 ATOM 314 C CA . THR A 1 40 ? 0.228 0.578 14.817 1.00 58.47 40 A 1 ATOM 315 C C . THR A 1 40 ? 1.556 -0.099 15.120 1.00 57.92 40 A 1 ATOM 316 O O . THR A 1 40 ? 1.785 -0.588 16.218 1.00 56.52 40 A 1 ATOM 317 C CB . THR A 1 40 ? -0.261 1.413 16.015 1.00 55.92 40 A 1 ATOM 318 O OG1 . THR A 1 40 ? -0.709 0.567 17.049 1.00 49.01 40 A 1 ATOM 319 C CG2 . THR A 1 40 ? -1.438 2.311 15.616 1.00 48.81 40 A 1 ATOM 320 N N . VAL A 1 41 ? 2.388 -0.214 14.106 1.00 59.12 41 A 1 ATOM 321 C CA . VAL A 1 41 ? 3.807 -0.462 14.331 1.00 61.22 41 A 1 ATOM 322 C C . VAL A 1 41 ? 4.374 0.896 14.727 1.00 61.75 41 A 1 ATOM 323 O O . VAL A 1 41 ? 4.381 1.805 13.897 1.00 58.47 41 A 1 ATOM 324 C CB . VAL A 1 41 ? 4.500 -1.049 13.086 1.00 58.68 41 A 1 ATOM 325 C CG1 . VAL A 1 41 ? 5.949 -1.448 13.409 1.00 52.01 41 A 1 ATOM 326 C CG2 . VAL A 1 41 ? 3.784 -2.309 12.569 1.00 52.68 41 A 1 ATOM 327 N N . ASP A 1 42 ? 4.795 1.045 15.984 1.00 61.63 42 A 1 ATOM 328 C CA . ASP A 1 42 ? 5.657 2.153 16.391 1.00 64.21 42 A 1 ATOM 329 C C . ASP A 1 42 ? 6.973 2.007 15.618 1.00 63.89 42 A 1 ATOM 330 O O . ASP A 1 42 ? 7.898 1.308 16.027 1.00 63.16 42 A 1 ATOM 331 C CB . ASP A 1 42 ? 5.870 2.156 17.918 1.00 62.27 42 A 1 ATOM 332 C CG . ASP A 1 42 ? 4.628 2.624 18.686 1.00 54.93 42 A 1 ATOM 333 O OD1 . ASP A 1 42 ? 3.992 3.601 18.222 1.00 50.65 42 A 1 ATOM 334 O OD2 . ASP A 1 42 ? 4.312 1.986 19.714 1.00 50.85 42 A 1 ATOM 335 N N . VAL A 1 43 ? 7.010 2.577 14.417 1.00 64.47 43 A 1 ATOM 336 C CA . VAL A 1 43 ? 8.220 2.615 13.605 1.00 66.30 43 A 1 ATOM 337 C C . VAL A 1 43 ? 9.022 3.800 14.119 1.00 68.45 43 A 1 ATOM 338 O O . VAL A 1 43 ? 8.769 4.939 13.736 1.00 66.20 43 A 1 ATOM 339 C CB . VAL A 1 43 ? 7.933 2.695 12.093 1.00 62.75 43 A 1 ATOM 340 C CG1 . VAL A 1 43 ? 9.238 2.543 11.287 1.00 56.69 43 A 1 ATOM 341 C CG2 . VAL A 1 43 ? 6.990 1.587 11.615 1.00 57.88 43 A 1 ATOM 342 N N . GLU A 1 44 ? 9.982 3.528 15.005 1.00 71.59 44 A 1 ATOM 343 C CA . GLU A 1 44 ? 11.047 4.496 15.254 1.00 74.01 44 A 1 ATOM 344 C C . GLU A 1 44 ? 11.631 4.945 13.905 1.00 74.22 44 A 1 ATOM 345 O O . GLU A 1 44 ? 11.830 4.109 13.013 1.00 72.31 44 A 1 ATOM 346 C CB . GLU A 1 44 ? 12.158 3.892 16.128 1.00 72.11 44 A 1 ATOM 347 C CG . GLU A 1 44 ? 11.712 3.658 17.582 1.00 63.58 44 A 1 ATOM 348 C CD . GLU A 1 44 ? 12.870 3.209 18.493 1.00 58.36 44 A 1 ATOM 349 O OE1 . GLU A 1 44 ? 12.681 3.272 19.726 1.00 54.79 44 A 1 ATOM 350 O OE2 . GLU A 1 44 ? 13.934 2.816 17.959 1.00 55.97 44 A 1 ATOM 351 N N . PRO A 1 45 ? 11.878 6.255 13.706 1.00 71.39 45 A 1 ATOM 352 C CA . PRO A 1 45 ? 12.406 6.750 12.441 1.00 73.50 45 A 1 ATOM 353 C C . PRO A 1 45 ? 13.794 6.142 12.196 1.00 74.57 45 A 1 ATOM 354 O O . PRO A 1 45 ? 14.796 6.574 12.764 1.00 71.87 45 A 1 ATOM 355 C CB . PRO A 1 45 ? 12.408 8.277 12.568 1.00 70.93 45 A 1 ATOM 356 C CG . PRO A 1 45 ? 12.461 8.523 14.076 1.00 68.83 45 A 1 ATOM 357 C CD . PRO A 1 45 ? 11.689 7.336 14.654 1.00 74.58 45 A 1 ATOM 358 N N . VAL A 1 46 ? 13.846 5.126 11.337 1.00 73.27 46 A 1 ATOM 359 C CA . VAL A 1 46 ? 15.109 4.508 10.932 1.00 73.69 46 A 1 ATOM 360 C C . VAL A 1 46 ? 15.815 5.462 9.973 1.00 76.33 46 A 1 ATOM 361 O O . VAL A 1 46 ? 15.355 5.693 8.851 1.00 74.58 46 A 1 ATOM 362 C CB . VAL A 1 46 ? 14.902 3.110 10.314 1.00 69.99 46 A 1 ATOM 363 C CG1 . VAL A 1 46 ? 16.253 2.461 9.959 1.00 63.39 46 A 1 ATOM 364 C CG2 . VAL A 1 46 ? 14.174 2.161 11.275 1.00 64.84 46 A 1 ATOM 365 N N . VAL A 1 47 ? 16.942 6.018 10.408 1.00 81.35 47 A 1 ATOM 366 C CA . VAL A 1 47 ? 17.819 6.816 9.544 1.00 83.53 47 A 1 ATOM 367 C C . VAL A 1 47 ? 18.475 5.878 8.529 1.00 84.91 47 A 1 ATOM 368 O O . VAL A 1 47 ? 19.329 5.062 8.868 1.00 82.71 47 A 1 ATOM 369 C CB . VAL A 1 47 ? 18.862 7.608 10.356 1.00 80.58 47 A 1 ATOM 370 C CG1 . VAL A 1 47 ? 19.741 8.464 9.430 1.00 73.14 47 A 1 ATOM 371 C CG2 . VAL A 1 47 ? 18.178 8.553 11.357 1.00 75.72 47 A 1 ATOM 372 N N . LEU A 1 48 ? 18.044 5.979 7.272 1.00 86.51 48 A 1 ATOM 373 C CA . LEU A 1 48 ? 18.598 5.192 6.173 1.00 87.73 48 A 1 ATOM 374 C C . LEU A 1 48 ? 19.644 6.011 5.415 1.00 90.78 48 A 1 ATOM 375 O O . LEU A 1 48 ? 19.362 7.111 4.940 1.00 89.09 48 A 1 ATOM 376 C CB . LEU A 1 48 ? 17.477 4.720 5.232 1.00 83.16 48 A 1 ATOM 377 C CG . LEU A 1 48 ? 16.454 3.764 5.883 1.00 76.08 48 A 1 ATOM 378 C CD1 . LEU A 1 48 ? 15.328 3.483 4.889 1.00 71.66 48 A 1 ATOM 379 C CD2 . LEU A 1 48 ? 17.076 2.426 6.284 1.00 71.69 48 A 1 ATOM 380 N N . HIS A 1 49 ? 20.818 5.436 5.229 1.00 90.67 49 A 1 ATOM 381 C CA . HIS A 1 49 ? 21.791 5.977 4.287 1.00 92.46 49 A 1 ATOM 382 C C . HIS A 1 49 ? 21.284 5.764 2.856 1.00 94.21 49 A 1 ATOM 383 O O . HIS A 1 49 ? 21.205 4.632 2.371 1.00 92.93 49 A 1 ATOM 384 C CB . HIS A 1 49 ? 23.169 5.345 4.524 1.00 89.96 49 A 1 ATOM 385 C CG . HIS A 1 49 ? 23.761 5.743 5.854 1.00 84.60 49 A 1 ATOM 386 N ND1 . HIS A 1 49 ? 24.186 7.006 6.209 1.00 73.67 49 A 1 ATOM 387 C CD2 . HIS A 1 49 ? 23.949 4.933 6.944 1.00 71.51 49 A 1 ATOM 388 C CE1 . HIS A 1 49 ? 24.622 6.955 7.479 1.00 71.37 49 A 1 ATOM 389 N NE2 . HIS A 1 49 ? 24.499 5.710 7.967 1.00 74.42 49 A 1 ATOM 390 N N . ALA A 1 50 ? 20.905 6.863 2.203 1.00 95.03 50 A 1 ATOM 391 C CA . ALA A 1 50 ? 20.438 6.864 0.820 1.00 95.28 50 A 1 ATOM 392 C C . ALA A 1 50 ? 21.596 7.154 -0.158 1.00 96.32 50 A 1 ATOM 393 O O . ALA A 1 50 ? 22.539 7.868 0.197 1.00 95.47 50 A 1 ATOM 394 C CB . ALA A 1 50 ? 19.294 7.876 0.682 1.00 93.07 50 A 1 ATOM 395 N N . PRO A 1 51 ? 21.519 6.638 -1.397 1.00 96.83 51 A 1 ATOM 396 C CA . PRO A 1 51 ? 22.423 7.031 -2.471 1.00 96.97 51 A 1 ATOM 397 C C . PRO A 1 51 ? 22.377 8.544 -2.743 1.00 97.39 51 A 1 ATOM 398 O O . PRO A 1 51 ? 21.339 9.181 -2.570 1.00 96.71 51 A 1 ATOM 399 C CB . PRO A 1 51 ? 21.977 6.232 -3.701 1.00 96.32 51 A 1 ATOM 400 C CG . PRO A 1 51 ? 21.230 5.038 -3.109 1.00 94.94 51 A 1 ATOM 401 C CD . PRO A 1 51 ? 20.587 5.621 -1.859 1.00 96.18 51 A 1 ATOM 402 N N . SER A 1 52 ? 23.481 9.105 -3.217 1.00 96.93 52 A 1 ATOM 403 C CA . SER A 1 52 ? 23.531 10.488 -3.719 1.00 97.07 52 A 1 ATOM 404 C C . SER A 1 52 ? 22.635 10.677 -4.950 1.00 97.18 52 A 1 ATOM 405 O O . SER A 1 52 ? 22.325 9.716 -5.654 1.00 96.50 52 A 1 ATOM 406 C CB . SER A 1 52 ? 24.976 10.878 -4.060 1.00 96.71 52 A 1 ATOM 407 O OG . SER A 1 52 ? 25.476 10.076 -5.116 1.00 93.99 52 A 1 ATOM 408 N N . ASP A 1 53 ? 22.280 11.920 -5.278 1.00 96.28 53 A 1 ATOM 409 C CA . ASP A 1 53 ? 21.404 12.219 -6.426 1.00 96.47 53 A 1 ATOM 410 C C . ASP A 1 53 ? 21.925 11.624 -7.746 1.00 96.78 53 A 1 ATOM 411 O O . ASP A 1 53 ? 21.167 11.043 -8.524 1.00 95.98 53 A 1 ATOM 412 C CB . ASP A 1 53 ? 21.244 13.746 -6.571 1.00 96.02 53 A 1 ATOM 413 C CG . ASP A 1 53 ? 20.530 14.392 -5.378 1.00 91.58 53 A 1 ATOM 414 O OD1 . ASP A 1 53 ? 19.764 13.673 -4.699 1.00 86.57 53 A 1 ATOM 415 O OD2 . ASP A 1 53 ? 20.782 15.594 -5.157 1.00 86.60 53 A 1 ATOM 416 N N . ASN A 1 54 ? 23.232 11.678 -7.973 1.00 97.24 54 A 1 ATOM 417 C CA . ASN A 1 54 ? 23.858 11.088 -9.159 1.00 97.27 54 A 1 ATOM 418 C C . ASN A 1 54 ? 23.750 9.552 -9.178 1.00 97.59 54 A 1 ATOM 419 O O . ASN A 1 54 ? 23.493 8.951 -10.225 1.00 97.02 54 A 1 ATOM 420 C CB . ASN A 1 54 ? 25.332 11.530 -9.208 1.00 96.71 54 A 1 ATOM 421 C CG . ASN A 1 54 ? 25.500 13.002 -9.563 1.00 87.32 54 A 1 ATOM 422 O OD1 . ASN A 1 54 ? 24.685 13.608 -10.230 1.00 77.85 54 A 1 ATOM 423 N ND2 . ASN A 1 54 ? 26.590 13.613 -9.158 1.00 77.04 54 A 1 ATOM 424 N N . GLU A 1 55 ? 23.928 8.902 -8.014 1.00 97.55 55 A 1 ATOM 425 C CA . GLU A 1 55 ? 23.743 7.453 -7.877 1.00 97.71 55 A 1 ATOM 426 C C . GLU A 1 55 ? 22.265 7.080 -8.064 1.00 97.87 55 A 1 ATOM 427 O O . GLU A 1 55 ? 21.961 6.101 -8.748 1.00 97.55 55 A 1 ATOM 428 C CB . GLU A 1 55 ? 24.273 6.978 -6.505 1.00 97.53 55 A 1 ATOM 429 C CG . GLU A 1 55 ? 25.812 6.989 -6.387 1.00 96.73 55 A 1 ATOM 430 C CD . GLU A 1 55 ? 26.304 6.808 -4.931 1.00 96.41 55 A 1 ATOM 431 O OE1 . GLU A 1 55 ? 27.330 6.117 -4.697 1.00 91.76 55 A 1 ATOM 432 O OE2 . GLU A 1 55 ? 25.680 7.401 -4.019 1.00 92.25 55 A 1 ATOM 433 N N . MET A 1 56 ? 21.333 7.899 -7.552 1.00 97.79 56 A 1 ATOM 434 C CA . MET A 1 56 ? 19.888 7.734 -7.734 1.00 97.47 56 A 1 ATOM 435 C C . MET A 1 56 ? 19.476 7.796 -9.206 1.00 97.66 56 A 1 ATOM 436 O O . MET A 1 56 ? 18.736 6.934 -9.681 1.00 97.12 56 A 1 ATOM 437 C CB . MET A 1 56 ? 19.147 8.832 -6.949 1.00 96.36 56 A 1 ATOM 438 C CG . MET A 1 56 ? 19.154 8.567 -5.444 1.00 87.95 56 A 1 ATOM 439 S SD . MET A 1 56 ? 18.148 7.139 -4.976 1.00 79.70 56 A 1 ATOM 440 C CE . MET A 1 56 ? 16.493 7.803 -5.296 1.00 67.68 56 A 1 ATOM 441 N N . VAL A 1 57 ? 19.975 8.783 -9.954 1.00 97.92 57 A 1 ATOM 442 C CA . VAL A 1 57 ? 19.743 8.889 -11.405 1.00 98.01 57 A 1 ATOM 443 C C . VAL A 1 57 ? 20.251 7.639 -12.123 1.00 98.05 57 A 1 ATOM 444 O O . VAL A 1 57 ? 19.541 7.075 -12.960 1.00 97.86 57 A 1 ATOM 445 C CB . VAL A 1 57 ? 20.400 10.168 -11.967 1.00 98.04 57 A 1 ATOM 446 C CG1 . VAL A 1 57 ? 20.386 10.205 -13.506 1.00 96.50 57 A 1 ATOM 447 C CG2 . VAL A 1 57 ? 19.651 11.420 -11.483 1.00 96.19 57 A 1 ATOM 448 N N . PHE A 1 58 ? 21.440 7.168 -11.770 1.00 98.10 58 A 1 ATOM 449 C CA . PHE A 1 58 ? 21.999 5.943 -12.342 1.00 98.09 58 A 1 ATOM 450 C C . PHE A 1 58 ? 21.125 4.712 -12.048 1.00 98.12 58 A 1 ATOM 451 O O . PHE A 1 58 ? 20.783 3.970 -12.975 1.00 97.89 58 A 1 ATOM 452 C CB . PHE A 1 58 ? 23.437 5.761 -11.835 1.00 98.13 58 A 1 ATOM 453 C CG . PHE A 1 58 ? 24.041 4.435 -12.244 1.00 98.20 58 A 1 ATOM 454 C CD1 . PHE A 1 58 ? 24.021 3.348 -11.348 1.00 96.85 58 A 1 ATOM 455 C CD2 . PHE A 1 58 ? 24.563 4.271 -13.539 1.00 97.17 58 A 1 ATOM 456 C CE1 . PHE A 1 58 ? 24.521 2.097 -11.750 1.00 96.94 58 A 1 ATOM 457 C CE2 . PHE A 1 58 ? 25.064 3.021 -13.940 1.00 96.97 58 A 1 ATOM 458 C CZ . PHE A 1 58 ? 25.040 1.930 -13.047 1.00 97.83 58 A 1 ATOM 459 N N . ILE A 1 59 ? 20.715 4.509 -10.780 1.00 98.12 59 A 1 ATOM 460 C CA . ILE A 1 59 ? 19.850 3.397 -10.354 1.00 97.89 59 A 1 ATOM 461 C C . ILE A 1 59 ? 18.530 3.425 -11.131 1.00 97.52 59 A 1 ATOM 462 O O . ILE A 1 59 ? 18.144 2.422 -11.736 1.00 97.19 59 A 1 ATOM 463 C CB . ILE A 1 59 ? 19.618 3.459 -8.821 1.00 97.93 59 A 1 ATOM 464 C CG1 . ILE A 1 59 ? 20.923 3.125 -8.057 1.00 97.48 59 A 1 ATOM 465 C CG2 . ILE A 1 59 ? 18.502 2.495 -8.373 1.00 97.21 59 A 1 ATOM 466 C CD1 . ILE A 1 59 ? 20.913 3.605 -6.598 1.00 95.81 59 A 1 ATOM 467 N N . ASN A 1 60 ? 17.863 4.582 -11.180 1.00 97.31 60 A 1 ATOM 468 C CA . ASN A 1 60 ? 16.585 4.746 -11.868 1.00 96.81 60 A 1 ATOM 469 C C . ASN A 1 60 ? 16.694 4.462 -13.372 1.00 96.76 60 A 1 ATOM 470 O O . ASN A 1 60 ? 15.832 3.781 -13.935 1.00 96.24 60 A 1 ATOM 471 C CB . ASN A 1 60 ? 16.061 6.165 -11.598 1.00 96.13 60 A 1 ATOM 472 C CG . ASN A 1 60 ? 15.551 6.334 -10.176 1.00 90.99 60 A 1 ATOM 473 O OD1 . ASN A 1 60 ? 15.087 5.401 -9.538 1.00 81.51 60 A 1 ATOM 474 N ND2 . ASN A 1 60 ? 15.577 7.535 -9.648 1.00 80.27 60 A 1 ATOM 475 N N . ASN A 1 61 ? 17.765 4.910 -14.018 1.00 97.41 61 A 1 ATOM 476 C CA . ASN A 1 61 ? 18.006 4.624 -15.433 1.00 97.39 61 A 1 ATOM 477 C C . ASN A 1 61 ? 18.235 3.129 -15.690 1.00 97.12 61 A 1 ATOM 478 O O . ASN A 1 61 ? 17.682 2.584 -16.646 1.00 96.63 61 A 1 ATOM 479 C CB . ASN A 1 61 ? 19.192 5.473 -15.922 1.00 97.71 61 A 1 ATOM 480 C CG . ASN A 1 61 ? 18.830 6.938 -16.099 1.00 96.83 61 A 1 ATOM 481 O OD1 . ASN A 1 61 ? 17.677 7.311 -16.262 1.00 91.30 61 A 1 ATOM 482 N ND2 . ASN A 1 61 ? 19.803 7.814 -16.132 1.00 91.86 61 A 1 ATOM 483 N N . CYS A 1 62 ? 18.982 2.443 -14.818 1.00 97.50 62 A 1 ATOM 484 C CA . CYS A 1 62 ? 19.157 0.992 -14.908 1.00 97.05 62 A 1 ATOM 485 C C . CYS A 1 62 ? 17.821 0.243 -14.770 1.00 96.57 62 A 1 ATOM 486 O O . CYS A 1 62 ? 17.526 -0.649 -15.568 1.00 96.26 62 A 1 ATOM 487 C CB . CYS A 1 62 ? 20.148 0.536 -13.827 1.00 97.35 62 A 1 ATOM 488 S SG . CYS A 1 62 ? 21.834 1.032 -14.273 1.00 96.85 62 A 1 ATOM 489 N N . LEU A 1 63 ? 16.985 0.626 -13.786 1.00 96.72 63 A 1 ATOM 490 C CA . LEU A 1 63 ? 15.664 0.026 -13.576 1.00 96.19 63 A 1 ATOM 491 C C . LEU A 1 63 ? 14.713 0.313 -14.745 1.00 95.75 63 A 1 ATOM 492 O O . LEU A 1 63 ? 14.008 -0.593 -15.190 1.00 95.22 63 A 1 ATOM 493 C CB . LEU A 1 63 ? 15.075 0.531 -12.253 1.00 96.16 63 A 1 ATOM 494 C CG . LEU A 1 63 ? 15.820 0.059 -10.991 1.00 95.58 63 A 1 ATOM 495 C CD1 . LEU A 1 63 ? 15.209 0.741 -9.769 1.00 93.43 63 A 1 ATOM 496 C CD2 . LEU A 1 63 ? 15.735 -1.454 -10.801 1.00 93.54 63 A 1 ATOM 497 N N . LYS A 1 64 ? 14.727 1.540 -15.290 1.00 95.32 64 A 1 ATOM 498 C CA . LYS A 1 64 ? 13.938 1.909 -16.472 1.00 94.80 64 A 1 ATOM 499 C C . LYS A 1 64 ? 14.301 1.041 -17.677 1.00 94.71 64 A 1 ATOM 500 O O . LYS A 1 64 ? 13.415 0.426 -18.261 1.00 94.11 64 A 1 ATOM 501 C CB . LYS A 1 64 ? 14.114 3.408 -16.769 1.00 94.40 64 A 1 ATOM 502 C CG . LYS A 1 64 ? 13.217 3.865 -17.932 1.00 84.76 64 A 1 ATOM 503 C CD . LYS A 1 64 ? 13.363 5.366 -18.211 1.00 82.32 64 A 1 ATOM 504 C CE . LYS A 1 64 ? 12.459 5.745 -19.390 1.00 73.19 64 A 1 ATOM 505 N NZ . LYS A 1 64 ? 12.537 7.189 -19.728 1.00 66.38 64 A 1 ATOM 506 N N . LYS A 1 65 ? 15.592 0.922 -17.983 1.00 95.70 65 A 1 ATOM 507 C CA . LYS A 1 65 ? 16.071 0.039 -19.061 1.00 95.68 65 A 1 ATOM 508 C C . LYS A 1 65 ? 15.681 -1.415 -18.832 1.00 95.37 65 A 1 ATOM 509 O O . LYS A 1 65 ? 15.266 -2.102 -19.761 1.00 94.76 65 A 1 ATOM 510 C CB . LYS A 1 65 ? 17.594 0.149 -19.202 1.00 96.16 65 A 1 ATOM 511 C CG . LYS A 1 65 ? 17.989 1.471 -19.860 1.00 95.07 65 A 1 ATOM 512 C CD . LYS A 1 65 ? 19.446 1.437 -20.298 1.00 92.58 65 A 1 ATOM 513 C CE . LYS A 1 65 ? 19.700 2.665 -21.169 1.00 88.40 65 A 1 ATOM 514 N NZ . LYS A 1 65 ? 20.827 2.446 -22.101 1.00 80.82 65 A 1 ATOM 515 N N . ARG A 1 66 ? 15.757 -1.885 -17.577 1.00 95.34 66 A 1 ATOM 516 C CA . ARG A 1 66 ? 15.361 -3.253 -17.235 1.00 94.83 66 A 1 ATOM 517 C C . ARG A 1 66 ? 13.873 -3.498 -17.481 1.00 94.66 66 A 1 ATOM 518 O O . ARG A 1 66 ? 13.534 -4.548 -18.021 1.00 93.89 66 A 1 ATOM 519 C CB . ARG A 1 66 ? 15.779 -3.576 -15.789 1.00 94.48 66 A 1 ATOM 520 C CG . ARG A 1 66 ? 15.507 -5.036 -15.393 1.00 90.74 66 A 1 ATOM 521 C CD . ARG A 1 66 ? 16.275 -6.021 -16.285 1.00 88.57 66 A 1 ATOM 522 N NE . ARG A 1 66 ? 15.946 -7.421 -15.983 1.00 83.94 66 A 1 ATOM 523 C CZ . ARG A 1 66 ? 15.939 -8.423 -16.846 1.00 80.01 66 A 1 ATOM 524 N NH1 . ARG A 1 66 ? 16.281 -8.272 -18.094 1.00 72.84 66 A 1 ATOM 525 N NH2 . ARG A 1 66 ? 15.572 -9.604 -16.465 1.00 73.89 66 A 1 ATOM 526 N N . ARG A 1 67 ? 12.997 -2.546 -17.117 1.00 93.81 67 A 1 ATOM 527 C CA . ARG A 1 67 ? 11.542 -2.607 -17.369 1.00 92.87 67 A 1 ATOM 528 C C . ARG A 1 67 ? 11.216 -2.603 -18.861 1.00 92.74 67 A 1 ATOM 529 O O . ARG A 1 67 ? 10.361 -3.367 -19.287 1.00 91.59 67 A 1 ATOM 530 C CB . ARG A 1 67 ? 10.835 -1.427 -16.688 1.00 92.37 67 A 1 ATOM 531 C CG . ARG A 1 67 ? 10.850 -1.520 -15.158 1.00 88.99 67 A 1 ATOM 532 C CD . ARG A 1 67 ? 10.324 -0.208 -14.564 1.00 86.62 67 A 1 ATOM 533 N NE . ARG A 1 67 ? 10.534 -0.154 -13.101 1.00 80.38 67 A 1 ATOM 534 C CZ . ARG A 1 67 ? 10.255 0.869 -12.315 1.00 75.14 67 A 1 ATOM 535 N NH1 . ARG A 1 67 ? 9.712 1.965 -12.762 1.00 69.02 67 A 1 ATOM 536 N NH2 . ARG A 1 67 ? 10.529 0.810 -11.049 1.00 67.26 67 A 1 ATOM 537 N N . ALA A 1 68 ? 11.935 -1.791 -19.635 1.00 93.64 68 A 1 ATOM 538 C CA . ALA A 1 68 ? 11.776 -1.712 -21.087 1.00 93.53 68 A 1 ATOM 539 C C . ALA A 1 68 ? 12.363 -2.923 -21.846 1.00 93.18 68 A 1 ATOM 540 O O . ALA A 1 68 ? 12.231 -3.007 -23.063 1.00 91.35 68 A 1 ATOM 541 C CB . ALA A 1 68 ? 12.397 -0.385 -21.552 1.00 93.62 68 A 1 ATOM 542 N N . GLY A 1 69 ? 13.021 -3.854 -21.151 1.00 92.94 69 A 1 ATOM 543 C CA . GLY A 1 69 ? 13.702 -4.983 -21.795 1.00 92.65 69 A 1 ATOM 544 C C . GLY A 1 69 ? 14.952 -4.587 -22.588 1.00 93.41 69 A 1 ATOM 545 O O . GLY A 1 69 ? 15.471 -5.391 -23.364 1.00 91.86 69 A 1 ATOM 546 N N . GLU A 1 70 ? 15.459 -3.360 -22.390 1.00 93.79 70 A 1 ATOM 547 C CA . GLU A 1 70 ? 16.637 -2.860 -23.094 1.00 95.05 70 A 1 ATOM 548 C C . GLU A 1 70 ? 17.935 -3.516 -22.605 1.00 95.59 70 A 1 ATOM 549 O O . GLU A 1 70 ? 18.078 -3.952 -21.455 1.00 94.77 70 A 1 ATOM 550 C CB . GLU A 1 70 ? 16.758 -1.337 -22.960 1.00 95.12 70 A 1 ATOM 551 C CG . GLU A 1 70 ? 15.667 -0.541 -23.688 1.00 92.64 70 A 1 ATOM 552 C CD . GLU A 1 70 ? 15.856 0.976 -23.488 1.00 90.32 70 A 1 ATOM 553 O OE1 . GLU A 1 70 ? 14.859 1.716 -23.588 1.00 83.74 70 A 1 ATOM 554 O OE2 . GLU A 1 70 ? 17.010 1.401 -23.185 1.00 85.20 70 A 1 ATOM 555 N N . TYR A 1 71 ? 18.935 -3.524 -23.477 1.00 94.84 71 A 1 ATOM 556 C CA . TYR A 1 71 ? 20.254 -4.035 -23.137 1.00 95.72 71 A 1 ATOM 557 C C . TYR A 1 71 ? 20.965 -3.136 -22.109 1.00 96.17 71 A 1 ATOM 558 O O . TYR A 1 71 ? 21.043 -1.914 -22.244 1.00 95.46 71 A 1 ATOM 559 C CB . TYR A 1 71 ? 21.094 -4.219 -24.409 1.00 95.32 71 A 1 ATOM 560 C CG . TYR A 1 71 ? 22.481 -4.768 -24.125 1.00 94.28 71 A 1 ATOM 561 C CD1 . TYR A 1 71 ? 23.598 -3.907 -24.151 1.00 90.91 71 A 1 ATOM 562 C CD2 . TYR A 1 71 ? 22.654 -6.129 -23.801 1.00 91.20 71 A 1 ATOM 563 C CE1 . TYR A 1 71 ? 24.883 -4.410 -23.869 1.00 89.35 71 A 1 ATOM 564 C CE2 . TYR A 1 71 ? 23.937 -6.634 -23.514 1.00 90.05 71 A 1 ATOM 565 C CZ . TYR A 1 71 ? 25.054 -5.775 -23.549 1.00 90.50 71 A 1 ATOM 566 O OH . TYR A 1 71 ? 26.298 -6.257 -23.276 1.00 89.06 71 A 1 ATOM 567 N N . ILE A 1 72 ? 21.516 -3.776 -21.071 1.00 96.33 72 A 1 ATOM 568 C CA . ILE A 1 72 ? 22.338 -3.130 -20.045 1.00 96.80 72 A 1 ATOM 569 C C . ILE A 1 72 ? 23.728 -3.771 -20.077 1.00 97.04 72 A 1 ATOM 570 O O . ILE A 1 72 ? 23.862 -4.987 -19.882 1.00 96.57 72 A 1 ATOM 571 C CB . ILE A 1 72 ? 21.686 -3.226 -18.645 1.00 96.74 72 A 1 ATOM 572 C CG1 . ILE A 1 72 ? 20.241 -2.665 -18.648 1.00 95.77 72 A 1 ATOM 573 C CG2 . ILE A 1 72 ? 22.552 -2.486 -17.608 1.00 95.34 72 A 1 ATOM 574 C CD1 . ILE A 1 72 ? 19.488 -2.860 -17.326 1.00 93.16 72 A 1 ATOM 575 N N . HIS A 1 73 ? 24.753 -2.943 -20.285 1.00 97.13 73 A 1 ATOM 576 C CA . HIS A 1 73 ? 26.151 -3.385 -20.295 1.00 97.39 73 A 1 ATOM 577 C C . HIS A 1 73 ? 26.538 -4.088 -18.985 1.00 97.65 73 A 1 ATOM 578 O O . HIS A 1 73 ? 26.085 -3.706 -17.904 1.00 97.07 73 A 1 ATOM 579 C CB . HIS A 1 73 ? 27.086 -2.195 -20.553 1.00 96.86 73 A 1 ATOM 580 C CG . HIS A 1 73 ? 26.962 -1.644 -21.954 1.00 94.36 73 A 1 ATOM 581 N ND1 . HIS A 1 73 ? 27.567 -2.153 -23.084 1.00 79.97 73 A 1 ATOM 582 C CD2 . HIS A 1 73 ? 26.230 -0.556 -22.345 1.00 81.35 73 A 1 ATOM 583 C CE1 . HIS A 1 73 ? 27.203 -1.388 -24.127 1.00 83.85 73 A 1 ATOM 584 N NE2 . HIS A 1 73 ? 26.389 -0.409 -23.726 1.00 86.17 73 A 1 ATOM 585 N N . ALA A 1 74 ? 27.393 -5.099 -19.071 1.00 97.50 74 A 1 ATOM 586 C CA . ALA A 1 74 ? 27.837 -5.886 -17.919 1.00 97.56 74 A 1 ATOM 587 C C . ALA A 1 74 ? 28.470 -5.010 -16.823 1.00 97.78 74 A 1 ATOM 588 O O . ALA A 1 74 ? 28.094 -5.139 -15.658 1.00 97.23 74 A 1 ATOM 589 C CB . ALA A 1 74 ? 28.808 -6.967 -18.411 1.00 97.07 74 A 1 ATOM 590 N N . SER A 1 75 ? 29.314 -4.048 -17.196 1.00 98.04 75 A 1 ATOM 591 C CA . SER A 1 75 ? 29.935 -3.095 -16.264 1.00 98.10 75 A 1 ATOM 592 C C . SER A 1 75 ? 28.915 -2.239 -15.503 1.00 98.21 75 A 1 ATOM 593 O O . SER A 1 75 ? 29.113 -1.934 -14.329 1.00 97.84 75 A 1 ATOM 594 C CB . SER A 1 75 ? 30.888 -2.176 -17.041 1.00 97.93 75 A 1 ATOM 595 O OG . SER A 1 75 ? 30.206 -1.521 -18.101 1.00 91.63 75 A 1 ATOM 596 N N . MET A 1 76 ? 27.785 -1.891 -16.124 1.00 98.01 76 A 1 ATOM 597 C CA . MET A 1 76 ? 26.715 -1.133 -15.471 1.00 98.07 76 A 1 ATOM 598 C C . MET A 1 76 ? 25.925 -1.999 -14.487 1.00 98.19 76 A 1 ATOM 599 O O . MET A 1 76 ? 25.516 -1.508 -13.440 1.00 98.04 76 A 1 ATOM 600 C CB . MET A 1 76 ? 25.776 -0.510 -16.517 1.00 97.98 76 A 1 ATOM 601 C CG . MET A 1 76 ? 26.511 0.464 -17.452 1.00 96.67 76 A 1 ATOM 602 S SD . MET A 1 76 ? 27.293 1.876 -16.612 1.00 93.85 76 A 1 ATOM 603 C CE . MET A 1 76 ? 28.840 1.984 -17.535 1.00 87.08 76 A 1 ATOM 604 N N . LYS A 1 77 ? 25.745 -3.299 -14.784 1.00 97.83 77 A 1 ATOM 605 C CA . LYS A 1 77 ? 25.151 -4.258 -13.837 1.00 97.75 77 A 1 ATOM 606 C C . LYS A 1 77 ? 26.048 -4.470 -12.619 1.00 97.89 77 A 1 ATOM 607 O O . LYS A 1 77 ? 25.540 -4.552 -11.508 1.00 97.71 77 A 1 ATOM 608 C CB . LYS A 1 77 ? 24.874 -5.603 -14.525 1.00 97.37 77 A 1 ATOM 609 C CG . LYS A 1 77 ? 23.836 -5.497 -15.646 1.00 96.49 77 A 1 ATOM 610 C CD . LYS A 1 77 ? 23.659 -6.848 -16.352 1.00 94.53 77 A 1 ATOM 611 C CE . LYS A 1 77 ? 22.646 -6.683 -17.482 1.00 90.53 77 A 1 ATOM 612 N NZ . LYS A 1 77 ? 22.574 -7.873 -18.362 1.00 84.32 77 A 1 ATOM 613 N N . ASP A 1 78 ? 27.361 -4.524 -12.823 1.00 97.95 78 A 1 ATOM 614 C CA . ASP A 1 78 ? 28.325 -4.660 -11.726 1.00 98.05 78 A 1 ATOM 615 C C . ASP A 1 78 ? 28.334 -3.406 -10.843 1.00 98.24 78 A 1 ATOM 616 O O . ASP A 1 78 ? 28.145 -3.517 -9.631 1.00 98.00 78 A 1 ATOM 617 C CB . ASP A 1 78 ? 29.718 -5.006 -12.281 1.00 97.76 78 A 1 ATOM 618 C CG . ASP A 1 78 ? 29.728 -6.375 -12.976 1.00 96.40 78 A 1 ATOM 619 O OD1 . ASP A 1 78 ? 28.961 -7.276 -12.548 1.00 92.18 78 A 1 ATOM 620 O OD2 . ASP A 1 78 ? 30.436 -6.549 -13.991 1.00 92.07 78 A 1 ATOM 621 N N . LYS A 1 79 ? 28.377 -2.210 -11.441 1.00 98.15 79 A 1 ATOM 622 C CA . LYS A 1 79 ? 28.249 -0.937 -10.712 1.00 98.13 79 A 1 ATOM 623 C C . LYS A 1 79 ? 26.931 -0.844 -9.934 1.00 98.26 79 A 1 ATOM 624 O O . LYS A 1 79 ? 26.919 -0.365 -8.804 1.00 98.11 79 A 1 ATOM 625 C CB . LYS A 1 79 ? 28.408 0.230 -11.700 1.00 98.08 79 A 1 ATOM 626 C CG . LYS A 1 79 ? 28.378 1.586 -10.974 1.00 94.19 79 A 1 ATOM 627 C CD . LYS A 1 79 ? 28.637 2.755 -11.927 1.00 91.64 79 A 1 ATOM 628 C CE . LYS A 1 79 ? 28.596 4.054 -11.115 1.00 84.86 79 A 1 ATOM 629 N NZ . LYS A 1 79 ? 28.874 5.254 -11.940 1.00 76.79 79 A 1 ATOM 630 N N . TYR A 1 80 ? 25.817 -1.295 -10.515 1.00 98.22 80 A 1 ATOM 631 C CA . TYR A 1 80 ? 24.532 -1.349 -9.813 1.00 98.17 80 A 1 ATOM 632 C C . TYR A 1 80 ? 24.617 -2.245 -8.572 1.00 98.19 80 A 1 ATOM 633 O O . TYR A 1 80 ? 24.222 -1.822 -7.491 1.00 98.03 80 A 1 ATOM 634 C CB . TYR A 1 80 ? 23.438 -1.816 -10.781 1.00 97.99 80 A 1 ATOM 635 C CG . TYR A 1 80 ? 22.057 -1.883 -10.163 1.00 98.07 80 A 1 ATOM 636 C CD1 . TYR A 1 80 ? 21.668 -3.011 -9.413 1.00 97.28 80 A 1 ATOM 637 C CD2 . TYR A 1 80 ? 21.154 -0.815 -10.333 1.00 97.23 80 A 1 ATOM 638 C CE1 . TYR A 1 80 ? 20.389 -3.068 -8.831 1.00 96.96 80 A 1 ATOM 639 C CE2 . TYR A 1 80 ? 19.872 -0.871 -9.761 1.00 96.97 80 A 1 ATOM 640 C CZ . TYR A 1 80 ? 19.488 -1.998 -9.008 1.00 97.42 80 A 1 ATOM 641 O OH . TYR A 1 80 ? 18.253 -2.054 -8.453 1.00 96.63 80 A 1 ATOM 642 N N . ARG A 1 81 ? 25.179 -3.444 -8.699 1.00 97.86 81 A 1 ATOM 643 C CA . ARG A 1 81 ? 25.360 -4.386 -7.581 1.00 97.62 81 A 1 ATOM 644 C C . ARG A 1 81 ? 26.285 -3.833 -6.492 1.00 97.79 81 A 1 ATOM 645 O O . ARG A 1 81 ? 26.076 -4.107 -5.313 1.00 97.54 81 A 1 ATOM 646 C CB . ARG A 1 81 ? 25.886 -5.710 -8.149 1.00 96.74 81 A 1 ATOM 647 C CG . ARG A 1 81 ? 25.964 -6.804 -7.078 1.00 90.03 81 A 1 ATOM 648 C CD . ARG A 1 81 ? 26.445 -8.130 -7.669 1.00 87.71 81 A 1 ATOM 649 N NE . ARG A 1 81 ? 27.817 -8.007 -8.197 1.00 76.91 81 A 1 ATOM 650 C CZ . ARG A 1 81 ? 28.465 -8.907 -8.908 1.00 69.53 81 A 1 ATOM 651 N NH1 . ARG A 1 81 ? 27.961 -10.082 -9.157 1.00 63.78 81 A 1 ATOM 652 N NH2 . ARG A 1 81 ? 29.636 -8.620 -9.395 1.00 59.99 81 A 1 ATOM 653 N N . ASP A 1 82 ? 27.279 -3.045 -6.844 1.00 98.00 82 A 1 ATOM 654 C CA . ASP A 1 82 ? 28.133 -2.386 -5.851 1.00 98.09 82 A 1 ATOM 655 C C . ASP A 1 82 ? 27.352 -1.338 -5.046 1.00 98.16 82 A 1 ATOM 656 O O . ASP A 1 82 ? 27.520 -1.241 -3.829 1.00 97.83 82 A 1 ATOM 657 C CB . ASP A 1 82 ? 29.362 -1.781 -6.537 1.00 97.98 82 A 1 ATOM 658 C CG . ASP A 1 82 ? 30.300 -2.841 -7.134 1.00 96.26 82 A 1 ATOM 659 O OD1 . ASP A 1 82 ? 30.269 -4.007 -6.661 1.00 92.65 82 A 1 ATOM 660 O OD2 . ASP A 1 82 ? 31.051 -2.464 -8.061 1.00 92.63 82 A 1 ATOM 661 N N . LEU A 1 83 ? 26.419 -0.620 -5.682 1.00 98.09 83 A 1 ATOM 662 C CA . LEU A 1 83 ? 25.513 0.299 -4.987 1.00 98.07 83 A 1 ATOM 663 C C . LEU A 1 83 ? 24.528 -0.438 -4.074 1.00 98.00 83 A 1 ATOM 664 O O . LEU A 1 83 ? 24.278 0.037 -2.969 1.00 97.79 83 A 1 ATOM 665 C CB . LEU A 1 83 ? 24.766 1.178 -6.006 1.00 98.24 83 A 1 ATOM 666 C CG . LEU A 1 83 ? 25.661 2.178 -6.761 1.00 97.68 83 A 1 ATOM 667 C CD1 . LEU A 1 83 ? 24.845 2.875 -7.849 1.00 95.84 83 A 1 ATOM 668 C CD2 . LEU A 1 83 ? 26.237 3.252 -5.840 1.00 95.89 83 A 1 ATOM 669 N N . THR A 1 84 ? 24.004 -1.610 -4.473 1.00 97.96 84 A 1 ATOM 670 C CA . THR A 1 84 ? 23.115 -2.396 -3.596 1.00 97.70 84 A 1 ATOM 671 C C . THR A 1 84 ? 23.843 -2.896 -2.349 1.00 97.59 84 A 1 ATOM 672 O O . THR A 1 84 ? 23.276 -2.893 -1.262 1.00 97.03 84 A 1 ATOM 673 C CB . THR A 1 84 ? 22.448 -3.578 -4.305 1.00 96.95 84 A 1 ATOM 674 O OG1 . THR A 1 84 ? 23.371 -4.545 -4.737 1.00 85.49 84 A 1 ATOM 675 C CG2 . THR A 1 84 ? 21.648 -3.161 -5.532 1.00 83.61 84 A 1 ATOM 676 N N . ARG A 1 85 ? 25.119 -3.237 -2.457 1.00 97.64 85 A 1 ATOM 677 C CA . ARG A 1 85 ? 25.970 -3.600 -1.312 1.00 97.66 85 A 1 ATOM 678 C C . ARG A 1 85 ? 26.288 -2.407 -0.412 1.00 97.59 85 A 1 ATOM 679 O O . ARG A 1 85 ? 26.396 -2.580 0.795 1.00 96.78 85 A 1 ATOM 680 C CB . ARG A 1 85 ? 27.277 -4.210 -1.821 1.00 97.55 85 A 1 ATOM 681 C CG . ARG A 1 85 ? 27.066 -5.612 -2.403 1.00 95.28 85 A 1 ATOM 682 C CD . ARG A 1 85 ? 28.360 -6.051 -3.081 1.00 92.15 85 A 1 ATOM 683 N NE . ARG A 1 85 ? 28.286 -7.444 -3.541 1.00 84.72 85 A 1 ATOM 684 C CZ . ARG A 1 85 ? 29.236 -8.081 -4.198 1.00 77.18 85 A 1 ATOM 685 N NH1 . ARG A 1 85 ? 30.332 -7.479 -4.584 1.00 71.04 85 A 1 ATOM 686 N NH2 . ARG A 1 85 ? 29.103 -9.349 -4.470 1.00 70.94 85 A 1 ATOM 687 N N . LYS A 1 86 ? 26.443 -1.218 -0.984 1.00 97.49 86 A 1 ATOM 688 C CA . LYS A 1 86 ? 26.722 0.021 -0.242 1.00 97.40 86 A 1 ATOM 689 C C . LYS A 1 86 ? 25.496 0.520 0.536 1.00 97.38 86 A 1 ATOM 690 O O . LYS A 1 86 ? 25.653 1.041 1.635 1.00 96.87 86 A 1 ATOM 691 C CB . LYS A 1 86 ? 27.253 1.062 -1.243 1.00 97.32 86 A 1 ATOM 692 C CG . LYS A 1 86 ? 27.794 2.328 -0.573 1.00 94.84 86 A 1 ATOM 693 C CD . LYS A 1 86 ? 28.305 3.301 -1.649 1.00 93.32 86 A 1 ATOM 694 C CE . LYS A 1 86 ? 28.726 4.641 -1.042 1.00 89.36 86 A 1 ATOM 695 N NZ . LYS A 1 86 ? 28.829 5.690 -2.093 1.00 83.92 86 A 1 ATOM 696 N N . TYR A 1 87 ? 24.291 0.332 -0.005 1.00 97.52 87 A 1 ATOM 697 C CA . TYR A 1 87 ? 23.032 0.820 0.571 1.00 97.14 87 A 1 ATOM 698 C C . TYR A 1 87 ? 21.965 -0.285 0.740 1.00 96.87 87 A 1 ATOM 699 O O . TYR A 1 87 ? 20.828 -0.120 0.284 1.00 96.16 87 A 1 ATOM 700 C CB . TYR A 1 87 ? 22.516 1.986 -0.283 1.00 97.05 87 A 1 ATOM 701 C CG . TYR A 1 87 ? 23.505 3.110 -0.513 1.00 97.32 87 A 1 ATOM 702 C CD1 . TYR A 1 87 ? 23.841 3.988 0.536 1.00 95.60 87 A 1 ATOM 703 C CD2 . TYR A 1 87 ? 24.071 3.292 -1.789 1.00 95.99 87 A 1 ATOM 704 C CE1 . TYR A 1 87 ? 24.726 5.060 0.304 1.00 95.50 87 A 1 ATOM 705 C CE2 . TYR A 1 87 ? 24.958 4.360 -2.023 1.00 95.63 87 A 1 ATOM 706 C CZ . TYR A 1 87 ? 25.280 5.252 -0.979 1.00 96.47 87 A 1 ATOM 707 O OH . TYR A 1 87 ? 26.111 6.300 -1.210 1.00 95.16 87 A 1 ATOM 708 N N . PRO A 1 88 ? 22.258 -1.420 1.420 1.00 96.75 88 A 1 ATOM 709 C CA . PRO A 1 88 ? 21.384 -2.601 1.424 1.00 96.28 88 A 1 ATOM 710 C C . PRO A 1 88 ? 20.004 -2.323 2.039 1.00 95.98 88 A 1 ATOM 711 O O . PRO A 1 88 ? 18.982 -2.740 1.489 1.00 94.98 88 A 1 ATOM 712 C CB . PRO A 1 88 ? 22.164 -3.667 2.213 1.00 95.80 88 A 1 ATOM 713 C CG . PRO A 1 88 ? 23.092 -2.854 3.115 1.00 94.90 88 A 1 ATOM 714 C CD . PRO A 1 88 ? 23.432 -1.650 2.241 1.00 96.50 88 A 1 ATOM 715 N N . GLN A 1 89 ? 19.947 -1.571 3.146 1.00 95.86 89 A 1 ATOM 716 C CA . GLN A 1 89 ? 18.692 -1.225 3.821 1.00 95.08 89 A 1 ATOM 717 C C . GLN A 1 89 ? 17.806 -0.338 2.940 1.00 95.19 89 A 1 ATOM 718 O O . GLN A 1 89 ? 16.601 -0.564 2.840 1.00 94.34 89 A 1 ATOM 719 C CB . GLN A 1 89 ? 18.999 -0.507 5.141 1.00 94.02 89 A 1 ATOM 720 C CG . GLN A 1 89 ? 19.643 -1.428 6.188 1.00 87.72 89 A 1 ATOM 721 C CD . GLN A 1 89 ? 19.943 -0.687 7.491 1.00 80.75 89 A 1 ATOM 722 O OE1 . GLN A 1 89 ? 20.099 0.519 7.525 1.00 72.85 89 A 1 ATOM 723 N NE2 . GLN A 1 89 ? 20.062 -1.375 8.600 1.00 67.73 89 A 1 ATOM 724 N N . TRP A 1 90 ? 18.394 0.640 2.249 1.00 95.88 90 A 1 ATOM 725 C CA . TRP A 1 90 ? 17.656 1.525 1.355 1.00 96.02 90 A 1 ATOM 726 C C . TRP A 1 90 ? 17.054 0.765 0.163 1.00 95.78 90 A 1 ATOM 727 O O . TRP A 1 90 ? 15.880 0.948 -0.156 1.00 95.19 90 A 1 ATOM 728 C CB . TRP A 1 90 ? 18.584 2.662 0.908 1.00 96.19 90 A 1 ATOM 729 C CG . TRP A 1 90 ? 17.905 3.675 0.044 1.00 95.91 90 A 1 ATOM 730 C CD1 . TRP A 1 90 ? 17.278 4.792 0.480 1.00 94.13 90 A 1 ATOM 731 C CD2 . TRP A 1 90 ? 17.728 3.652 -1.404 1.00 95.78 90 A 1 ATOM 732 N NE1 . TRP A 1 90 ? 16.718 5.455 -0.588 1.00 94.00 90 A 1 ATOM 733 C CE2 . TRP A 1 90 ? 16.950 4.788 -1.775 1.00 95.25 90 A 1 ATOM 734 C CE3 . TRP A 1 90 ? 18.129 2.777 -2.437 1.00 94.52 90 A 1 ATOM 735 C CZ2 . TRP A 1 90 ? 16.564 5.031 -3.101 1.00 93.83 90 A 1 ATOM 736 C CZ3 . TRP A 1 90 ? 17.754 3.014 -3.776 1.00 93.33 90 A 1 ATOM 737 C CH2 . TRP A 1 90 ? 16.967 4.135 -4.105 1.00 92.93 90 A 1 ATOM 738 N N . PHE A 1 91 ? 17.816 -0.136 -0.449 1.00 95.91 91 A 1 ATOM 739 C CA . PHE A 1 91 ? 17.320 -0.986 -1.539 1.00 95.83 91 A 1 ATOM 740 C C . PHE A 1 91 ? 16.196 -1.922 -1.078 1.00 94.88 91 A 1 ATOM 741 O O . PHE A 1 91 ? 15.199 -2.064 -1.788 1.00 93.67 91 A 1 ATOM 742 C CB . PHE A 1 91 ? 18.479 -1.777 -2.159 1.00 96.40 91 A 1 ATOM 743 C CG . PHE A 1 91 ? 19.193 -1.016 -3.264 1.00 96.98 91 A 1 ATOM 744 C CD1 . PHE A 1 91 ? 18.809 -1.206 -4.603 1.00 95.16 91 A 1 ATOM 745 C CD2 . PHE A 1 91 ? 20.232 -0.121 -2.961 1.00 95.50 91 A 1 ATOM 746 C CE1 . PHE A 1 91 ? 19.473 -0.510 -5.631 1.00 95.40 91 A 1 ATOM 747 C CE2 . PHE A 1 91 ? 20.894 0.576 -3.987 1.00 95.76 91 A 1 ATOM 748 C CZ . PHE A 1 91 ? 20.519 0.376 -5.323 1.00 96.95 91 A 1 ATOM 749 N N . SER A 1 92 ? 16.306 -2.495 0.133 1.00 94.82 92 A 1 ATOM 750 C CA . SER A 1 92 ? 15.266 -3.335 0.736 1.00 93.57 92 A 1 ATOM 751 C C . SER A 1 92 ? 13.960 -2.559 0.951 1.00 92.69 92 A 1 ATOM 752 O O . SER A 1 92 ? 12.902 -3.003 0.510 1.00 90.83 92 A 1 ATOM 753 C CB . SER A 1 92 ? 15.785 -3.916 2.054 1.00 92.63 92 A 1 ATOM 754 O OG . SER A 1 92 ? 14.839 -4.804 2.610 1.00 78.67 92 A 1 ATOM 755 N N . VAL A 1 93 ? 14.027 -1.356 1.545 1.00 92.85 93 A 1 ATOM 756 C CA . VAL A 1 93 ? 12.849 -0.489 1.766 1.00 91.74 93 A 1 ATOM 757 C C . VAL A 1 93 ? 12.187 -0.073 0.450 1.00 91.65 93 A 1 ATOM 758 O O . VAL A 1 93 ? 10.965 0.031 0.369 1.00 90.26 93 A 1 ATOM 759 C CB . VAL A 1 93 ? 13.245 0.744 2.601 1.00 90.75 93 A 1 ATOM 760 C CG1 . VAL A 1 93 ? 12.150 1.822 2.671 1.00 87.32 93 A 1 ATOM 761 C CG2 . VAL A 1 93 ? 13.556 0.324 4.045 1.00 87.35 93 A 1 ATOM 762 N N . LYS A 1 94 ? 12.970 0.160 -0.598 1.00 93.18 94 A 1 ATOM 763 C CA . LYS A 1 94 ? 12.453 0.481 -1.936 1.00 92.91 94 A 1 ATOM 764 C C . LYS A 1 94 ? 11.969 -0.745 -2.722 1.00 93.34 94 A 1 ATOM 765 O O . LYS A 1 94 ? 11.453 -0.566 -3.824 1.00 92.12 94 A 1 ATOM 766 C CB . LYS A 1 94 ? 13.510 1.282 -2.716 1.00 92.82 94 A 1 ATOM 767 C CG . LYS A 1 94 ? 13.769 2.686 -2.147 1.00 90.94 94 A 1 ATOM 768 C CD . LYS A 1 94 ? 12.538 3.600 -2.227 1.00 87.00 94 A 1 ATOM 769 C CE . LYS A 1 94 ? 12.905 5.002 -1.741 1.00 83.78 94 A 1 ATOM 770 N NZ . LYS A 1 94 ? 11.725 5.900 -1.709 1.00 76.01 94 A 1 ATOM 771 N N . ALA A 1 95 ? 12.119 -1.949 -2.182 1.00 92.77 95 A 1 ATOM 772 C CA . ALA A 1 95 ? 11.859 -3.218 -2.864 1.00 92.26 95 A 1 ATOM 773 C C . ALA A 1 95 ? 12.551 -3.310 -4.245 1.00 93.27 95 A 1 ATOM 774 O O . ALA A 1 95 ? 12.002 -3.852 -5.205 1.00 92.13 95 A 1 ATOM 775 C CB . ALA A 1 95 ? 10.347 -3.490 -2.880 1.00 90.87 95 A 1 ATOM 776 N N . TYR A 1 96 ? 13.746 -2.725 -4.368 1.00 94.92 96 A 1 ATOM 777 C CA . TYR A 1 96 ? 14.531 -2.798 -5.599 1.00 95.63 96 A 1 ATOM 778 C C . TYR A 1 96 ? 15.339 -4.102 -5.657 1.00 95.83 96 A 1 ATOM 779 O O . TYR A 1 96 ? 15.770 -4.589 -4.615 1.00 95.15 96 A 1 ATOM 780 C CB . TYR A 1 96 ? 15.428 -1.561 -5.736 1.00 95.60 96 A 1 ATOM 781 C CG . TYR A 1 96 ? 14.731 -0.243 -6.062 1.00 95.46 96 A 1 ATOM 782 C CD1 . TYR A 1 96 ? 13.375 -0.186 -6.456 1.00 92.69 96 A 1 ATOM 783 C CD2 . TYR A 1 96 ? 15.476 0.952 -6.000 1.00 92.63 96 A 1 ATOM 784 C CE1 . TYR A 1 96 ? 12.766 1.046 -6.769 1.00 91.96 96 A 1 ATOM 785 C CE2 . TYR A 1 96 ? 14.877 2.188 -6.317 1.00 92.28 96 A 1 ATOM 786 C CZ . TYR A 1 96 ? 13.519 2.236 -6.698 1.00 93.43 96 A 1 ATOM 787 O OH . TYR A 1 96 ? 12.938 3.429 -6.996 1.00 91.65 96 A 1 ATOM 788 N N . PRO A 1 97 ? 15.546 -4.680 -6.845 1.00 96.30 97 A 1 ATOM 789 C CA . PRO A 1 97 ? 16.334 -5.900 -6.975 1.00 96.60 97 A 1 ATOM 790 C C . PRO A 1 97 ? 17.794 -5.637 -6.583 1.00 96.98 97 A 1 ATOM 791 O O . PRO A 1 97 ? 18.351 -4.587 -6.898 1.00 96.50 97 A 1 ATOM 792 C CB . PRO A 1 97 ? 16.192 -6.320 -8.441 1.00 96.09 97 A 1 ATOM 793 C CG . PRO A 1 97 ? 15.960 -4.995 -9.169 1.00 95.05 97 A 1 ATOM 794 C CD . PRO A 1 97 ? 15.167 -4.170 -8.154 1.00 96.20 97 A 1 ATOM 795 N N . ASP A 1 98 ? 18.409 -6.612 -5.942 1.00 95.73 98 A 1 ATOM 796 C CA . ASP A 1 98 ? 19.828 -6.589 -5.549 1.00 95.36 98 A 1 ATOM 797 C C . ASP A 1 98 ? 20.793 -6.837 -6.727 1.00 96.18 98 A 1 ATOM 798 O O . ASP A 1 98 ? 21.943 -6.403 -6.698 1.00 94.61 98 A 1 ATOM 799 C CB . ASP A 1 98 ? 20.039 -7.623 -4.431 1.00 92.78 98 A 1 ATOM 800 C CG . ASP A 1 98 ? 19.763 -9.080 -4.853 1.00 85.25 98 A 1 ATOM 801 O OD1 . ASP A 1 98 ? 19.042 -9.290 -5.863 1.00 77.49 98 A 1 ATOM 802 O OD2 . ASP A 1 98 ? 20.265 -9.990 -4.160 1.00 78.56 98 A 1 ATOM 803 N N . ASP A 1 99 ? 20.303 -7.470 -7.790 1.00 95.64 99 A 1 ATOM 804 C CA . ASP A 1 99 ? 21.048 -7.676 -9.032 1.00 95.81 99 A 1 ATOM 805 C C . ASP A 1 99 ? 20.132 -7.492 -10.259 1.00 96.10 99 A 1 ATOM 806 O O . ASP A 1 99 ? 18.955 -7.860 -10.270 1.00 94.79 99 A 1 ATOM 807 C CB . ASP A 1 99 ? 21.746 -9.060 -9.009 1.00 94.89 99 A 1 ATOM 808 C CG . ASP A 1 99 ? 22.936 -9.177 -9.982 1.00 93.40 99 A 1 ATOM 809 O OD1 . ASP A 1 99 ? 22.899 -8.537 -11.063 1.00 89.70 99 A 1 ATOM 810 O OD2 . ASP A 1 99 ? 23.920 -9.894 -9.683 1.00 88.51 99 A 1 ATOM 811 N N . LEU A 1 100 ? 20.682 -6.936 -11.334 1.00 95.98 100 A 1 ATOM 812 C CA . LEU A 1 100 ? 20.003 -6.803 -12.632 1.00 96.13 100 A 1 ATOM 813 C C . LEU A 1 100 ? 20.154 -8.058 -13.512 1.00 95.78 100 A 1 ATOM 814 O O . LEU A 1 100 ? 19.646 -8.101 -14.637 1.00 94.36 100 A 1 ATOM 815 C CB . LEU A 1 100 ? 20.510 -5.538 -13.343 1.00 96.29 100 A 1 ATOM 816 C CG . LEU A 1 100 ? 20.244 -4.227 -12.581 1.00 95.93 100 A 1 ATOM 817 C CD1 . LEU A 1 100 ? 20.859 -3.072 -13.369 1.00 94.46 100 A 1 ATOM 818 C CD2 . LEU A 1 100 ? 18.748 -3.948 -12.402 1.00 94.26 100 A 1 ATOM 819 N N . ARG A 1 101 ? 20.835 -9.069 -13.017 1.00 94.29 101 A 1 ATOM 820 C CA . ARG A 1 101 ? 21.027 -10.362 -13.679 1.00 93.27 101 A 1 ATOM 821 C C . ARG A 1 101 ? 20.026 -11.406 -13.158 1.00 91.30 101 A 1 ATOM 822 O O . ARG A 1 101 ? 19.450 -11.273 -12.084 1.00 84.35 101 A 1 ATOM 823 C CB . ARG A 1 101 ? 22.486 -10.826 -13.500 1.00 92.33 101 A 1 ATOM 824 C CG . ARG A 1 101 ? 23.527 -9.813 -14.020 1.00 90.31 101 A 1 ATOM 825 C CD . ARG A 1 101 ? 24.949 -10.305 -13.738 1.00 88.85 101 A 1 ATOM 826 N NE . ARG A 1 101 ? 25.987 -9.302 -14.102 1.00 85.76 101 A 1 ATOM 827 C CZ . ARG A 1 101 ? 27.157 -9.533 -14.673 1.00 83.66 101 A 1 ATOM 828 N NH1 . ARG A 1 101 ? 27.517 -10.711 -15.089 1.00 74.95 101 A 1 ATOM 829 N NH2 . ARG A 1 101 ? 28.020 -8.567 -14.831 1.00 76.70 101 A 1 ATOM 830 N N . GLY A 1 102 ? 19.826 -12.461 -13.927 1.00 90.66 102 A 1 ATOM 831 C CA . GLY A 1 102 ? 19.086 -13.641 -13.484 1.00 89.75 102 A 1 ATOM 832 C C . GLY A 1 102 ? 17.590 -13.433 -13.202 1.00 91.22 102 A 1 ATOM 833 O O . GLY A 1 102 ? 16.950 -12.517 -13.733 1.00 88.52 102 A 1 ATOM 834 N N . SER A 1 103 ? 17.032 -14.344 -12.396 1.00 91.63 103 A 1 ATOM 835 C CA . SER A 1 103 ? 15.604 -14.421 -12.070 1.00 92.32 103 A 1 ATOM 836 C C . SER A 1 103 ? 15.129 -13.287 -11.164 1.00 92.73 103 A 1 ATOM 837 O O . SER A 1 103 ? 14.019 -12.802 -11.364 1.00 91.10 103 A 1 ATOM 838 C CB . SER A 1 103 ? 15.292 -15.768 -11.405 1.00 91.36 103 A 1 ATOM 839 O OG . SER A 1 103 ? 16.197 -15.994 -10.339 1.00 81.78 103 A 1 ATOM 840 N N . VAL A 1 104 ? 15.968 -12.808 -10.234 1.00 90.60 104 A 1 ATOM 841 C CA . VAL A 1 104 ? 15.606 -11.740 -9.279 1.00 90.30 104 A 1 ATOM 842 C C . VAL A 1 104 ? 15.127 -10.486 -10.011 1.00 91.96 104 A 1 ATOM 843 O O . VAL A 1 104 ? 14.061 -9.943 -9.724 1.00 91.09 104 A 1 ATOM 844 C CB . VAL A 1 104 ? 16.799 -11.404 -8.359 1.00 88.26 104 A 1 ATOM 845 C CG1 . VAL A 1 104 ? 16.437 -10.295 -7.361 1.00 82.15 104 A 1 ATOM 846 C CG2 . VAL A 1 104 ? 17.252 -12.634 -7.563 1.00 82.22 104 A 1 ATOM 847 N N . SER A 1 105 ? 15.860 -10.068 -11.027 1.00 92.33 105 A 1 ATOM 848 C CA . SER A 1 105 ? 15.467 -8.901 -11.822 1.00 92.53 105 A 1 ATOM 849 C C . SER A 1 105 ? 14.219 -9.132 -12.686 1.00 93.41 105 A 1 ATOM 850 O O . SER A 1 105 ? 13.528 -8.168 -13.007 1.00 91.80 105 A 1 ATOM 851 C CB . SER A 1 105 ? 16.639 -8.457 -12.695 1.00 90.50 105 A 1 ATOM 852 O OG . SER A 1 105 ? 16.831 -9.341 -13.788 1.00 84.14 105 A 1 ATOM 853 N N . LYS A 1 106 ? 13.921 -10.379 -13.071 1.00 92.10 106 A 1 ATOM 854 C CA . LYS A 1 106 ? 12.675 -10.725 -13.779 1.00 91.99 106 A 1 ATOM 855 C C . LYS A 1 106 ? 11.488 -10.623 -12.828 1.00 92.97 106 A 1 ATOM 856 O O . LYS A 1 106 ? 10.544 -9.912 -13.146 1.00 92.10 106 A 1 ATOM 857 C CB . LYS A 1 106 ? 12.734 -12.121 -14.413 1.00 90.68 106 A 1 ATOM 858 C CG . LYS A 1 106 ? 13.755 -12.247 -15.550 1.00 80.83 106 A 1 ATOM 859 C CD . LYS A 1 106 ? 13.687 -13.670 -16.127 1.00 78.04 106 A 1 ATOM 860 C CE . LYS A 1 106 ? 14.674 -13.868 -17.278 1.00 69.68 106 A 1 ATOM 861 N NZ . LYS A 1 106 ? 14.573 -15.249 -17.836 1.00 61.23 106 A 1 ATOM 862 N N . HIS A 1 107 ? 11.589 -11.222 -11.634 1.00 92.38 107 A 1 ATOM 863 C CA . HIS A 1 107 ? 10.546 -11.121 -10.606 1.00 92.40 107 A 1 ATOM 864 C C . HIS A 1 107 ? 10.251 -9.664 -10.229 1.00 92.87 107 A 1 ATOM 865 O O . HIS A 1 107 ? 9.097 -9.291 -10.056 1.00 91.70 107 A 1 ATOM 866 C CB . HIS A 1 107 ? 10.979 -11.895 -9.353 1.00 91.98 107 A 1 ATOM 867 C CG . HIS A 1 107 ? 11.158 -13.380 -9.545 1.00 88.30 107 A 1 ATOM 868 N ND1 . HIS A 1 107 ? 11.769 -14.226 -8.642 1.00 77.17 107 A 1 ATOM 869 C CD2 . HIS A 1 107 ? 10.733 -14.162 -10.591 1.00 76.96 107 A 1 ATOM 870 C CE1 . HIS A 1 107 ? 11.710 -15.470 -9.134 1.00 79.01 107 A 1 ATOM 871 N NE2 . HIS A 1 107 ? 11.097 -15.483 -10.323 1.00 81.29 107 A 1 ATOM 872 N N . TYR A 1 108 ? 11.276 -8.808 -10.152 1.00 91.76 108 A 1 ATOM 873 C CA . TYR A 1 108 ? 11.069 -7.375 -9.947 1.00 91.96 108 A 1 ATOM 874 C C . TYR A 1 108 ? 10.177 -6.765 -11.035 1.00 92.19 108 A 1 ATOM 875 O O . TYR A 1 108 ? 9.214 -6.077 -10.716 1.00 91.58 108 A 1 ATOM 876 C CB . TYR A 1 108 ? 12.420 -6.656 -9.878 1.00 91.98 108 A 1 ATOM 877 C CG . TYR A 1 108 ? 12.267 -5.148 -9.806 1.00 91.30 108 A 1 ATOM 878 C CD1 . TYR A 1 108 ? 12.483 -4.355 -10.954 1.00 87.79 108 A 1 ATOM 879 C CD2 . TYR A 1 108 ? 11.838 -4.546 -8.608 1.00 88.30 108 A 1 ATOM 880 C CE1 . TYR A 1 108 ? 12.279 -2.964 -10.898 1.00 86.51 108 A 1 ATOM 881 C CE2 . TYR A 1 108 ? 11.631 -3.155 -8.549 1.00 86.81 108 A 1 ATOM 882 C CZ . TYR A 1 108 ? 11.851 -2.361 -9.693 1.00 88.09 108 A 1 ATOM 883 O OH . TYR A 1 108 ? 11.649 -1.018 -9.630 1.00 86.16 108 A 1 ATOM 884 N N . VAL A 1 109 ? 10.448 -7.033 -12.306 1.00 92.39 109 A 1 ATOM 885 C CA . VAL A 1 109 ? 9.630 -6.508 -13.416 1.00 92.13 109 A 1 ATOM 886 C C . VAL A 1 109 ? 8.217 -7.094 -13.385 1.00 92.18 109 A 1 ATOM 887 O O . VAL A 1 109 ? 7.251 -6.356 -13.555 1.00 90.59 109 A 1 ATOM 888 C CB . VAL A 1 109 ? 10.314 -6.752 -14.772 1.00 91.51 109 A 1 ATOM 889 C CG1 . VAL A 1 109 ? 9.447 -6.307 -15.959 1.00 88.17 109 A 1 ATOM 890 C CG2 . VAL A 1 109 ? 11.631 -5.967 -14.860 1.00 88.70 109 A 1 ATOM 891 N N . ASP A 1 110 ? 8.081 -8.388 -13.108 1.00 92.36 110 A 1 ATOM 892 C CA . ASP A 1 110 ? 6.798 -9.092 -13.184 1.00 92.11 110 A 1 ATOM 893 C C . ASP A 1 110 ? 5.838 -8.724 -12.039 1.00 92.24 110 A 1 ATOM 894 O O . ASP A 1 110 ? 4.629 -8.617 -12.265 1.00 90.36 110 A 1 ATOM 895 C CB . ASP A 1 110 ? 7.059 -10.609 -13.210 1.00 91.34 110 A 1 ATOM 896 C CG . ASP A 1 110 ? 7.811 -11.090 -14.468 1.00 89.09 110 A 1 ATOM 897 O OD1 . ASP A 1 110 ? 7.713 -10.415 -15.521 1.00 85.27 110 A 1 ATOM 898 O OD2 . ASP A 1 110 ? 8.480 -12.146 -14.374 1.00 85.04 110 A 1 ATOM 899 N N . TYR A 1 111 ? 6.361 -8.498 -10.825 1.00 92.00 111 A 1 ATOM 900 C CA . TYR A 1 111 ? 5.557 -8.362 -9.601 1.00 91.72 111 A 1 ATOM 901 C C . TYR A 1 111 ? 5.639 -6.994 -8.914 1.00 90.65 111 A 1 ATOM 902 O O . TYR A 1 111 ? 4.706 -6.630 -8.200 1.00 87.21 111 A 1 ATOM 903 C CB . TYR A 1 111 ? 5.947 -9.476 -8.618 1.00 91.88 111 A 1 ATOM 904 C CG . TYR A 1 111 ? 5.715 -10.883 -9.146 1.00 92.05 111 A 1 ATOM 905 C CD1 . TYR A 1 111 ? 4.404 -11.394 -9.228 1.00 88.74 111 A 1 ATOM 906 C CD2 . TYR A 1 111 ? 6.803 -11.672 -9.573 1.00 89.42 111 A 1 ATOM 907 C CE1 . TYR A 1 111 ? 4.182 -12.690 -9.735 1.00 87.89 111 A 1 ATOM 908 C CE2 . TYR A 1 111 ? 6.581 -12.967 -10.083 1.00 88.37 111 A 1 ATOM 909 C CZ . TYR A 1 111 ? 5.271 -13.477 -10.162 1.00 89.11 111 A 1 ATOM 910 O OH . TYR A 1 111 ? 5.057 -14.728 -10.656 1.00 87.25 111 A 1 ATOM 911 N N . PHE A 1 112 ? 6.707 -6.226 -9.090 1.00 90.12 112 A 1 ATOM 912 C CA . PHE A 1 112 ? 6.934 -4.964 -8.368 1.00 88.14 112 A 1 ATOM 913 C C . PHE A 1 112 ? 6.885 -3.727 -9.272 1.00 87.23 112 A 1 ATOM 914 O O . PHE A 1 112 ? 7.144 -2.605 -8.822 1.00 84.10 112 A 1 ATOM 915 C CB . PHE A 1 112 ? 8.240 -5.047 -7.569 1.00 87.65 112 A 1 ATOM 916 C CG . PHE A 1 112 ? 8.261 -6.153 -6.527 1.00 85.59 112 A 1 ATOM 917 C CD1 . PHE A 1 112 ? 7.747 -5.915 -5.235 1.00 80.82 112 A 1 ATOM 918 C CD2 . PHE A 1 112 ? 8.781 -7.421 -6.845 1.00 80.60 112 A 1 ATOM 919 C CE1 . PHE A 1 112 ? 7.766 -6.938 -4.270 1.00 78.06 112 A 1 ATOM 920 C CE2 . PHE A 1 112 ? 8.795 -8.448 -5.878 1.00 78.71 112 A 1 ATOM 921 C CZ . PHE A 1 112 ? 8.292 -8.203 -4.590 1.00 80.41 112 A 1 ATOM 922 N N . THR A 1 113 ? 6.537 -3.890 -10.540 1.00 86.60 113 A 1 ATOM 923 C CA . THR A 1 113 ? 6.353 -2.773 -11.471 1.00 85.03 113 A 1 ATOM 924 C C . THR A 1 113 ? 4.909 -2.710 -11.955 1.00 83.45 113 A 1 ATOM 925 O O . THR A 1 113 ? 4.277 -3.732 -12.194 1.00 79.73 113 A 1 ATOM 926 C CB . THR A 1 113 ? 7.352 -2.787 -12.632 1.00 84.22 113 A 1 ATOM 927 O OG1 . THR A 1 113 ? 7.114 -3.794 -13.567 1.00 78.08 113 A 1 ATOM 928 C CG2 . THR A 1 113 ? 8.789 -2.938 -12.142 1.00 75.43 113 A 1 ATOM 929 N N . LYS A 1 114 ? 4.361 -1.500 -12.049 1.00 83.66 114 A 1 ATOM 930 C CA . LYS A 1 114 ? 3.061 -1.306 -12.695 1.00 79.67 114 A 1 ATOM 931 C C . LYS A 1 114 ? 3.240 -1.611 -14.181 1.00 75.29 114 A 1 ATOM 932 O O . LYS A 1 114 ? 4.118 -1.023 -14.809 1.00 69.23 114 A 1 ATOM 933 C CB . LYS A 1 114 ? 2.521 0.113 -12.466 1.00 76.81 114 A 1 ATOM 934 C CG . LYS A 1 114 ? 2.161 0.366 -10.993 1.00 70.33 114 A 1 ATOM 935 C CD . LYS A 1 114 ? 1.524 1.748 -10.812 1.00 67.17 114 A 1 ATOM 936 C CE . LYS A 1 114 ? 1.152 1.982 -9.343 1.00 61.50 114 A 1 ATOM 937 N NZ . LYS A 1 114 ? 0.483 3.294 -9.154 1.00 53.44 114 A 1 ATOM 938 N N . LYS A 1 115 ? 2.440 -2.528 -14.704 1.00 77.21 115 A 1 ATOM 939 C CA . LYS A 1 115 ? 2.310 -2.697 -16.151 1.00 73.19 115 A 1 ATOM 940 C C . LYS A 1 115 ? 1.577 -1.460 -16.674 1.00 69.04 115 A 1 ATOM 941 O O . LYS A 1 115 ? 0.522 -1.127 -16.138 1.00 62.13 115 A 1 ATOM 942 C CB . LYS A 1 115 ? 1.590 -4.021 -16.486 1.00 69.80 115 A 1 ATOM 943 C CG . LYS A 1 115 ? 2.426 -5.246 -16.061 1.00 65.51 115 A 1 ATOM 944 C CD . LYS A 1 115 ? 1.767 -6.579 -16.455 1.00 61.98 115 A 1 ATOM 945 C CE . LYS A 1 115 ? 2.666 -7.740 -16.009 1.00 56.69 115 A 1 ATOM 946 N NZ . LYS A 1 115 ? 2.098 -9.069 -16.360 1.00 50.41 115 A 1 ATOM 947 N N . GLU A 1 116 ? 2.198 -0.745 -17.596 1.00 69.72 116 A 1 ATOM 948 C CA . GLU A 1 116 ? 1.517 0.295 -18.385 1.00 67.95 116 A 1 ATOM 949 C C . GLU A 1 116 ? 0.487 -0.353 -19.320 1.00 62.37 116 A 1 ATOM 950 O O . GLU A 1 116 ? 0.748 -1.484 -19.804 1.00 56.51 116 A 1 ATOM 951 C CB . GLU A 1 116 ? 2.540 1.169 -19.150 1.00 62.82 116 A 1 ATOM 952 C CG . GLU A 1 116 ? 3.340 2.107 -18.218 1.00 55.33 116 A 1 ATOM 953 C CD . GLU A 1 116 ? 4.328 3.054 -18.945 1.00 51.80 116 A 1 ATOM 954 O OE1 . GLU A 1 116 ? 4.755 4.047 -18.297 1.00 49.82 116 A 1 ATOM 955 O OE2 . GLU A 1 116 ? 4.709 2.781 -20.108 1.00 50.75 116 A 1 ATOM 956 O OXT . GLU A 1 116 ? -0.568 0.295 -19.517 1.00 56.41 116 A 1 #