# 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_rps12 # _entry.id rps12 # 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" "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 PRO 2 1 n THR 3 1 n LEU 4 1 n GLN 5 1 n GLN 6 1 n LEU 7 1 n ILE 8 1 n ARG 9 1 n PHE 10 1 n GLY 11 1 n ARG 12 1 n GLN 13 1 n GLN 14 1 n VAL 15 1 n MET 16 1 n VAL 17 1 n ARG 18 1 n PRO 19 1 n LYS 20 1 n SER 21 1 n ALA 22 1 n ALA 23 1 n LEU 24 1 n LYS 25 1 n ARG 26 1 n CYS 27 1 n PRO 28 1 n GLN 29 1 n ARG 30 1 n ARG 31 1 n GLY 32 1 n VAL 33 1 n CYS 34 1 n VAL 35 1 n LYS 36 1 n VAL 37 1 n TYR 38 1 n THR 39 1 n THR 40 1 n THR 41 1 n PRO 42 1 n LYS 43 1 n LYS 44 1 n PRO 45 1 n ASN 46 1 n SER 47 1 n ALA 48 1 n LEU 49 1 n ARG 50 1 n LYS 51 1 n VAL 52 1 n ALA 53 1 n ARG 54 1 n VAL 55 1 n LYS 56 1 n LEU 57 1 n THR 58 1 n SER 59 1 n GLY 60 1 n TYR 61 1 n GLU 62 1 n VAL 63 1 n THR 64 1 n ALA 65 1 n TYR 66 1 n ILE 67 1 n PRO 68 1 n GLY 69 1 n ILE 70 1 n GLY 71 1 n HIS 72 1 n ASN 73 1 n LEU 74 1 n GLN 75 1 n GLU 76 1 n HIS 77 1 n SER 78 1 n VAL 79 1 n VAL 80 1 n LEU 81 1 n VAL 82 1 n ARG 83 1 n GLY 84 1 n GLY 85 1 n ARG 86 1 n VAL 87 1 n LYS 88 1 n ASP 89 1 n LEU 90 1 n PRO 91 1 n GLY 92 1 n VAL 93 1 n ARG 94 1 n TYR 95 1 n HIS 96 1 n ILE 97 1 n ILE 98 1 n ARG 99 1 n GLY 100 1 n ALA 101 1 n LEU 102 1 n ASP 103 1 n THR 104 1 n ALA 105 1 n GLY 106 1 n VAL 107 1 n LYS 108 1 n ASN 109 1 n ARG 110 1 n VAL 111 1 n ARG 112 1 n SER 113 1 n ARG 114 1 n SER 115 1 n LYS 116 1 n TYR 117 1 n GLY 118 1 n VAL 119 1 n LYS 120 1 n LYS 121 1 n ALA 122 # _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 @ 2026-04-30 01:37:06)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 83.32 _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 80.62 1 1 A PRO 2 2 86.07 1 2 A THR 3 2 89.91 1 3 A LEU 4 2 87.22 1 4 A GLN 5 2 84.95 1 5 A GLN 6 2 87.47 1 6 A LEU 7 2 85.44 1 7 A ILE 8 2 87.59 1 8 A ARG 9 2 83.99 1 9 A PHE 10 2 83.85 1 10 A GLY 11 2 82.45 1 11 A ARG 12 2 72.32 1 12 A GLN 13 2 77.28 1 13 A GLN 14 2 76.03 1 14 A VAL 15 2 84.49 1 15 A MET 16 2 78.70 1 16 A VAL 17 2 83.44 1 17 A ARG 18 2 74.23 1 18 A PRO 19 2 85.05 1 19 A LYS 20 2 81.46 1 20 A SER 21 2 87.11 1 21 A ALA 22 2 88.86 1 22 A ALA 23 2 90.92 1 23 A LEU 24 2 88.95 1 24 A LYS 25 2 76.79 1 25 A ARG 26 2 70.93 1 26 A CYS 27 2 85.37 1 27 A PRO 28 2 84.86 1 28 A GLN 29 2 83.55 1 29 A ARG 30 2 86.16 1 30 A ARG 31 2 82.15 1 31 A GLY 32 2 92.06 1 32 A VAL 33 2 92.04 1 33 A CYS 34 2 91.62 1 34 A VAL 35 2 92.14 1 35 A LYS 36 2 87.27 1 36 A VAL 37 2 89.69 1 37 A TYR 38 2 91.31 1 38 A THR 39 2 88.53 1 39 A THR 40 2 88.93 1 40 A THR 41 2 91.75 1 41 A PRO 42 2 93.44 1 42 A LYS 43 2 89.13 1 43 A LYS 44 2 86.71 1 44 A PRO 45 2 91.18 1 45 A ASN 46 2 89.73 1 46 A SER 47 2 89.98 1 47 A ALA 48 2 89.73 1 48 A LEU 49 2 87.80 1 49 A ARG 50 2 86.92 1 50 A LYS 51 2 84.41 1 51 A VAL 52 2 91.55 1 52 A ALA 53 2 93.75 1 53 A ARG 54 2 86.92 1 54 A VAL 55 2 93.33 1 55 A LYS 56 2 90.23 1 56 A LEU 57 2 92.39 1 57 A THR 58 2 89.18 1 58 A SER 59 2 88.84 1 59 A GLY 60 2 91.42 1 60 A TYR 61 2 85.57 1 61 A GLU 62 2 86.46 1 62 A VAL 63 2 93.34 1 63 A THR 64 2 90.57 1 64 A ALA 65 2 94.13 1 65 A TYR 66 2 91.81 1 66 A ILE 67 2 87.57 1 67 A PRO 68 2 82.15 1 68 A GLY 69 2 72.87 1 69 A ILE 70 2 61.39 1 70 A GLY 71 2 67.65 1 71 A HIS 72 2 63.20 1 72 A ASN 73 2 68.79 1 73 A LEU 74 2 81.91 1 74 A GLN 75 2 76.75 1 75 A GLU 76 2 81.71 1 76 A HIS 77 2 86.76 1 77 A SER 78 2 85.54 1 78 A VAL 79 2 86.28 1 79 A VAL 80 2 88.57 1 80 A LEU 81 2 85.55 1 81 A VAL 82 2 90.56 1 82 A ARG 83 2 81.88 1 83 A GLY 84 2 90.27 1 84 A GLY 85 2 90.53 1 85 A ARG 86 2 83.39 1 86 A VAL 87 2 89.93 1 87 A LYS 88 2 85.48 1 88 A ASP 89 2 86.14 1 89 A LEU 90 2 92.09 1 90 A PRO 91 2 92.64 1 91 A GLY 92 2 92.68 1 92 A VAL 93 2 92.88 1 93 A ARG 94 2 86.71 1 94 A TYR 95 2 93.46 1 95 A HIS 96 2 87.35 1 96 A ILE 97 2 87.21 1 97 A ILE 98 2 78.44 1 98 A ARG 99 2 64.32 1 99 A GLY 100 2 73.41 1 100 A ALA 101 2 69.54 1 101 A LEU 102 2 64.31 1 102 A ASP 103 2 62.59 1 103 A THR 104 2 69.38 1 104 A ALA 105 2 76.43 1 105 A GLY 106 2 77.96 1 106 A VAL 107 2 76.50 1 107 A LYS 108 2 73.92 1 108 A ASN 109 2 78.99 1 109 A ARG 110 2 78.18 1 110 A VAL 111 2 85.73 1 111 A ARG 112 2 79.14 1 112 A SER 113 2 79.22 1 113 A ARG 114 2 79.48 1 114 A SER 115 2 75.34 1 115 A LYS 116 2 69.87 1 116 A TYR 117 2 72.26 1 117 A GLY 118 2 76.17 1 118 A VAL 119 2 79.45 1 119 A LYS 120 2 75.53 1 120 A LYS 121 2 79.85 1 121 A ALA 122 2 76.98 1 122 # _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 PRO . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n GLN . 13 A 13 A 14 1 n GLN . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n ARG . 26 A 26 A 27 1 n CYS . 27 A 27 A 28 1 n PRO . 28 A 28 A 29 1 n GLN . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n ARG . 31 A 31 A 32 1 n GLY . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n CYS . 34 A 34 A 35 1 n VAL . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n TYR . 38 A 38 A 39 1 n THR . 39 A 39 A 40 1 n THR . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n PRO . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n ASN . 46 A 46 A 47 1 n SER . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n LYS . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n ARG . 54 A 54 A 55 1 n VAL . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n THR . 58 A 58 A 59 1 n SER . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n TYR . 61 A 61 A 62 1 n GLU . 62 A 62 A 63 1 n VAL . 63 A 63 A 64 1 n THR . 64 A 64 A 65 1 n ALA . 65 A 65 A 66 1 n TYR . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n PRO . 68 A 68 A 69 1 n GLY . 69 A 69 A 70 1 n ILE . 70 A 70 A 71 1 n GLY . 71 A 71 A 72 1 n HIS . 72 A 72 A 73 1 n ASN . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n GLN . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n HIS . 77 A 77 A 78 1 n SER . 78 A 78 A 79 1 n VAL . 79 A 79 A 80 1 n VAL . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n ARG . 83 A 83 A 84 1 n GLY . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n ARG . 86 A 86 A 87 1 n VAL . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n ASP . 89 A 89 A 90 1 n LEU . 90 A 90 A 91 1 n PRO . 91 A 91 A 92 1 n GLY . 92 A 92 A 93 1 n VAL . 93 A 93 A 94 1 n ARG . 94 A 94 A 95 1 n TYR . 95 A 95 A 96 1 n HIS . 96 A 96 A 97 1 n ILE . 97 A 97 A 98 1 n ILE . 98 A 98 A 99 1 n ARG . 99 A 99 A 100 1 n GLY . 100 A 100 A 101 1 n ALA . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n ASP . 103 A 103 A 104 1 n THR . 104 A 104 A 105 1 n ALA . 105 A 105 A 106 1 n GLY . 106 A 106 A 107 1 n VAL . 107 A 107 A 108 1 n LYS . 108 A 108 A 109 1 n ASN . 109 A 109 A 110 1 n ARG . 110 A 110 A 111 1 n VAL . 111 A 111 A 112 1 n ARG . 112 A 112 A 113 1 n SER . 113 A 113 A 114 1 n ARG . 114 A 114 A 115 1 n SER . 115 A 115 A 116 1 n LYS . 116 A 116 A 117 1 n TYR . 117 A 117 A 118 1 n GLY . 118 A 118 A 119 1 n VAL . 119 A 119 A 120 1 n LYS . 120 A 120 A 121 1 n LYS . 121 A 121 A 122 1 n ALA . 122 A 122 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (85ce39d932754b480616359c4f586b7a6b119b44f9cab0801a9ccb619e2180e2)" # _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 ? 6.884 40.062 25.538 1.00 87.23 1 A 1 ATOM 2 C CA . MET A 1 1 ? 7.521 39.806 24.231 1.00 89.72 1 A 1 ATOM 3 C C . MET A 1 1 ? 8.989 39.474 24.460 1.00 89.10 1 A 1 ATOM 4 O O . MET A 1 1 ? 9.577 40.100 25.335 1.00 84.61 1 A 1 ATOM 5 C CB . MET A 1 1 ? 7.406 41.024 23.297 1.00 84.38 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.045 41.080 22.598 1.00 75.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.925 42.478 21.462 1.00 70.74 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.562 41.935 20.393 1.00 63.42 1 A 1 ATOM 9 N N . PRO A 1 2 ? 9.569 38.495 23.735 1.00 86.67 2 A 1 ATOM 10 C CA . PRO A 1 2 ? 10.998 38.216 23.838 1.00 88.13 2 A 1 ATOM 11 C C . PRO A 1 2 ? 11.814 39.390 23.278 1.00 90.90 2 A 1 ATOM 12 O O . PRO A 1 2 ? 11.408 40.029 22.306 1.00 88.49 2 A 1 ATOM 13 C CB . PRO A 1 2 ? 11.212 36.917 23.050 1.00 84.57 2 A 1 ATOM 14 C CG . PRO A 1 2 ? 10.079 36.931 22.020 1.00 80.42 2 A 1 ATOM 15 C CD . PRO A 1 2 ? 8.939 37.640 22.741 1.00 83.30 2 A 1 ATOM 16 N N . THR A 1 3 ? 12.960 39.669 23.874 1.00 90.65 3 A 1 ATOM 17 C CA . THR A 1 3 ? 13.868 40.721 23.402 1.00 91.67 3 A 1 ATOM 18 C C . THR A 1 3 ? 14.611 40.274 22.135 1.00 91.75 3 A 1 ATOM 19 O O . THR A 1 3 ? 14.744 39.076 21.862 1.00 90.55 3 A 1 ATOM 20 C CB . THR A 1 3 ? 14.868 41.154 24.490 1.00 91.55 3 A 1 ATOM 21 O OG1 . THR A 1 3 ? 15.740 40.106 24.817 1.00 87.34 3 A 1 ATOM 22 C CG2 . THR A 1 3 ? 14.188 41.612 25.785 1.00 85.83 3 A 1 ATOM 23 N N . LEU A 1 4 ? 15.156 41.223 21.366 1.00 90.68 4 A 1 ATOM 24 C CA . LEU A 1 4 ? 15.944 40.922 20.165 1.00 90.95 4 A 1 ATOM 25 C C . LEU A 1 4 ? 17.116 39.972 20.469 1.00 90.78 4 A 1 ATOM 26 O O . LEU A 1 4 ? 17.358 39.019 19.730 1.00 89.10 4 A 1 ATOM 27 C CB . LEU A 1 4 ? 16.435 42.254 19.562 1.00 90.81 4 A 1 ATOM 28 C CG . LEU A 1 4 ? 17.181 42.096 18.221 1.00 86.49 4 A 1 ATOM 29 C CD1 . LEU A 1 4 ? 16.255 41.619 17.106 1.00 79.47 4 A 1 ATOM 30 C CD2 . LEU A 1 4 ? 17.782 43.442 17.801 1.00 79.48 4 A 1 ATOM 31 N N . GLN A 1 5 ? 17.795 40.167 21.595 1.00 91.78 5 A 1 ATOM 32 C CA . GLN A 1 5 ? 18.896 39.298 22.021 1.00 91.31 5 A 1 ATOM 33 C C . GLN A 1 5 ? 18.437 37.865 22.320 1.00 91.12 5 A 1 ATOM 34 O O . GLN A 1 5 ? 19.150 36.911 22.007 1.00 88.46 5 A 1 ATOM 35 C CB . GLN A 1 5 ? 19.567 39.887 23.265 1.00 90.07 5 A 1 ATOM 36 C CG . GLN A 1 5 ? 20.319 41.201 22.983 1.00 83.39 5 A 1 ATOM 37 C CD . GLN A 1 5 ? 21.038 41.724 24.228 1.00 80.92 5 A 1 ATOM 38 O OE1 . GLN A 1 5 ? 20.900 41.197 25.319 1.00 74.81 5 A 1 ATOM 39 N NE2 . GLN A 1 5 ? 21.823 42.770 24.114 1.00 72.73 5 A 1 ATOM 40 N N . GLN A 1 6 ? 17.240 37.681 22.891 1.00 91.32 6 A 1 ATOM 41 C CA . GLN A 1 6 ? 16.656 36.358 23.114 1.00 90.94 6 A 1 ATOM 42 C C . GLN A 1 6 ? 16.338 35.662 21.785 1.00 91.09 6 A 1 ATOM 43 O O . GLN A 1 6 ? 16.638 34.481 21.633 1.00 88.98 6 A 1 ATOM 44 C CB . GLN A 1 6 ? 15.390 36.480 23.974 1.00 89.70 6 A 1 ATOM 45 C CG . GLN A 1 6 ? 15.702 36.813 25.447 1.00 86.34 6 A 1 ATOM 46 C CD . GLN A 1 6 ? 14.436 37.132 26.244 1.00 87.14 6 A 1 ATOM 47 O OE1 . GLN A 1 6 ? 13.394 37.475 25.706 1.00 81.60 6 A 1 ATOM 48 N NE2 . GLN A 1 6 ? 14.476 37.055 27.555 1.00 80.16 6 A 1 ATOM 49 N N . LEU A 1 7 ? 15.801 36.382 20.802 1.00 89.79 7 A 1 ATOM 50 C CA . LEU A 1 7 ? 15.501 35.830 19.476 1.00 87.85 7 A 1 ATOM 51 C C . LEU A 1 7 ? 16.763 35.398 18.711 1.00 88.12 7 A 1 ATOM 52 O O . LEU A 1 7 ? 16.712 34.418 17.974 1.00 86.44 7 A 1 ATOM 53 C CB . LEU A 1 7 ? 14.710 36.864 18.655 1.00 87.07 7 A 1 ATOM 54 C CG . LEU A 1 7 ? 13.285 37.146 19.176 1.00 84.92 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? 12.668 38.292 18.381 1.00 79.69 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? 12.373 35.924 19.050 1.00 79.68 7 A 1 ATOM 57 N N . ILE A 1 8 ? 17.883 36.094 18.891 1.00 91.17 8 A 1 ATOM 58 C CA . ILE A 1 8 ? 19.177 35.718 18.299 1.00 90.06 8 A 1 ATOM 59 C C . ILE A 1 8 ? 19.749 34.466 18.982 1.00 89.29 8 A 1 ATOM 60 O O . ILE A 1 8 ? 20.267 33.581 18.305 1.00 87.18 8 A 1 ATOM 61 C CB . ILE A 1 8 ? 20.152 36.916 18.358 1.00 90.45 8 A 1 ATOM 62 C CG1 . ILE A 1 8 ? 19.655 38.055 17.437 1.00 86.94 8 A 1 ATOM 63 C CG2 . ILE A 1 8 ? 21.582 36.505 17.945 1.00 85.43 8 A 1 ATOM 64 C CD1 . ILE A 1 8 ? 20.345 39.405 17.692 1.00 80.21 8 A 1 ATOM 65 N N . ARG A 1 9 ? 19.640 34.356 20.307 1.00 93.07 9 A 1 ATOM 66 C CA . ARG A 1 9 ? 20.154 33.205 21.069 1.00 92.39 9 A 1 ATOM 67 C C . ARG A 1 9 ? 19.318 31.940 20.875 1.00 92.12 9 A 1 ATOM 68 O O . ARG A 1 9 ? 19.873 30.853 20.756 1.00 89.67 9 A 1 ATOM 69 C CB . ARG A 1 9 ? 20.247 33.557 22.563 1.00 91.76 9 A 1 ATOM 70 C CG . ARG A 1 9 ? 21.411 34.515 22.865 1.00 85.97 9 A 1 ATOM 71 C CD . ARG A 1 9 ? 21.441 34.845 24.363 1.00 84.06 9 A 1 ATOM 72 N NE . ARG A 1 9 ? 22.526 35.788 24.691 1.00 79.41 9 A 1 ATOM 73 C CZ . ARG A 1 9 ? 22.879 36.180 25.905 1.00 75.49 9 A 1 ATOM 74 N NH1 . ARG A 1 9 ? 22.276 35.736 26.976 1.00 70.80 9 A 1 ATOM 75 N NH2 . ARG A 1 9 ? 23.853 37.036 26.068 1.00 69.13 9 A 1 ATOM 76 N N . PHE A 1 10 ? 17.992 32.062 20.825 1.00 92.07 10 A 1 ATOM 77 C CA . PHE A 1 10 ? 17.077 30.936 20.661 1.00 89.65 10 A 1 ATOM 78 C C . PHE A 1 10 ? 16.630 30.815 19.201 1.00 88.66 10 A 1 ATOM 79 O O . PHE A 1 10 ? 15.588 31.336 18.797 1.00 84.10 10 A 1 ATOM 80 C CB . PHE A 1 10 ? 15.913 31.060 21.654 1.00 88.78 10 A 1 ATOM 81 C CG . PHE A 1 10 ? 16.353 31.083 23.109 1.00 86.09 10 A 1 ATOM 82 C CD1 . PHE A 1 10 ? 16.924 29.943 23.699 1.00 80.15 10 A 1 ATOM 83 C CD2 . PHE A 1 10 ? 16.209 32.260 23.869 1.00 79.01 10 A 1 ATOM 84 C CE1 . PHE A 1 10 ? 17.356 29.979 25.038 1.00 76.91 10 A 1 ATOM 85 C CE2 . PHE A 1 10 ? 16.639 32.300 25.210 1.00 77.80 10 A 1 ATOM 86 C CZ . PHE A 1 10 ? 17.214 31.158 25.796 1.00 79.10 10 A 1 ATOM 87 N N . GLY A 1 11 ? 17.421 30.104 18.387 1.00 84.99 11 A 1 ATOM 88 C CA . GLY A 1 11 ? 17.049 29.756 17.018 1.00 82.42 11 A 1 ATOM 89 C C . GLY A 1 11 ? 15.727 28.977 16.959 1.00 83.56 11 A 1 ATOM 90 O O . GLY A 1 11 ? 15.388 28.204 17.859 1.00 78.84 11 A 1 ATOM 91 N N . ARG A 1 12 ? 14.955 29.147 15.866 1.00 83.40 12 A 1 ATOM 92 C CA . ARG A 1 12 ? 13.718 28.388 15.642 1.00 83.07 12 A 1 ATOM 93 C C . ARG A 1 12 ? 14.035 26.893 15.566 1.00 84.47 12 A 1 ATOM 94 O O . ARG A 1 12 ? 14.784 26.460 14.691 1.00 82.17 12 A 1 ATOM 95 C CB . ARG A 1 12 ? 12.997 28.843 14.362 1.00 80.17 12 A 1 ATOM 96 C CG . ARG A 1 12 ? 12.348 30.228 14.510 1.00 71.88 12 A 1 ATOM 97 C CD . ARG A 1 12 ? 11.588 30.588 13.229 1.00 71.27 12 A 1 ATOM 98 N NE . ARG A 1 12 ? 10.891 31.886 13.354 1.00 63.78 12 A 1 ATOM 99 C CZ . ARG A 1 12 ? 10.149 32.469 12.421 1.00 62.75 12 A 1 ATOM 100 N NH1 . ARG A 1 12 ? 9.966 31.925 11.244 1.00 56.88 12 A 1 ATOM 101 N NH2 . ARG A 1 12 ? 9.577 33.614 12.655 1.00 55.72 12 A 1 ATOM 102 N N . GLN A 1 13 ? 13.415 26.093 16.409 1.00 86.33 13 A 1 ATOM 103 C CA . GLN A 1 13 ? 13.480 24.640 16.302 1.00 85.84 13 A 1 ATOM 104 C C . GLN A 1 13 ? 12.717 24.188 15.051 1.00 87.79 13 A 1 ATOM 105 O O . GLN A 1 13 ? 11.537 24.499 14.872 1.00 83.89 13 A 1 ATOM 106 C CB . GLN A 1 13 ? 12.926 23.973 17.567 1.00 82.83 13 A 1 ATOM 107 C CG . GLN A 1 13 ? 13.817 24.212 18.802 1.00 72.26 13 A 1 ATOM 108 C CD . GLN A 1 13 ? 13.321 23.480 20.046 1.00 69.31 13 A 1 ATOM 109 O OE1 . GLN A 1 13 ? 12.305 22.806 20.049 1.00 64.88 13 A 1 ATOM 110 N NE2 . GLN A 1 13 ? 14.022 23.587 21.157 1.00 62.38 13 A 1 ATOM 111 N N . GLN A 1 14 ? 13.381 23.446 14.166 1.00 86.00 14 A 1 ATOM 112 C CA . GLN A 1 14 ? 12.724 22.858 13.005 1.00 85.61 14 A 1 ATOM 113 C C . GLN A 1 14 ? 11.783 21.744 13.466 1.00 87.72 14 A 1 ATOM 114 O O . GLN A 1 14 ? 12.210 20.733 14.026 1.00 84.44 14 A 1 ATOM 115 C CB . GLN A 1 14 ? 13.747 22.333 11.991 1.00 82.25 14 A 1 ATOM 116 C CG . GLN A 1 14 ? 14.524 23.468 11.294 1.00 71.60 14 A 1 ATOM 117 C CD . GLN A 1 14 ? 15.437 22.946 10.182 1.00 66.51 14 A 1 ATOM 118 O OE1 . GLN A 1 14 ? 15.537 21.759 9.915 1.00 62.23 14 A 1 ATOM 119 N NE2 . GLN A 1 14 ? 16.129 23.815 9.481 1.00 57.87 14 A 1 ATOM 120 N N . VAL A 1 15 ? 10.493 21.909 13.192 1.00 87.40 15 A 1 ATOM 121 C CA . VAL A 1 15 ? 9.502 20.861 13.444 1.00 87.25 15 A 1 ATOM 122 C C . VAL A 1 15 ? 9.708 19.751 12.420 1.00 87.61 15 A 1 ATOM 123 O O . VAL A 1 15 ? 9.384 19.902 11.241 1.00 84.08 15 A 1 ATOM 124 C CB . VAL A 1 15 ? 8.070 21.415 13.419 1.00 86.01 15 A 1 ATOM 125 C CG1 . VAL A 1 15 ? 7.050 20.305 13.715 1.00 78.49 15 A 1 ATOM 126 C CG2 . VAL A 1 15 ? 7.885 22.524 14.460 1.00 80.62 15 A 1 ATOM 127 N N . MET A 1 16 ? 10.258 18.613 12.852 1.00 88.19 16 A 1 ATOM 128 C CA . MET A 1 16 ? 10.407 17.438 12.001 1.00 86.67 16 A 1 ATOM 129 C C . MET A 1 16 ? 9.029 16.853 11.688 1.00 86.96 16 A 1 ATOM 130 O O . MET A 1 16 ? 8.383 16.225 12.533 1.00 83.36 16 A 1 ATOM 131 C CB . MET A 1 16 ? 11.316 16.389 12.652 1.00 84.49 16 A 1 ATOM 132 C CG . MET A 1 16 ? 12.765 16.859 12.802 1.00 73.14 16 A 1 ATOM 133 S SD . MET A 1 16 ? 13.868 15.527 13.368 1.00 67.03 16 A 1 ATOM 134 C CE . MET A 1 16 ? 14.237 14.705 11.801 1.00 59.78 16 A 1 ATOM 135 N N . VAL A 1 17 ? 8.577 17.031 10.435 1.00 86.91 17 A 1 ATOM 136 C CA . VAL A 1 17 ? 7.319 16.446 9.959 1.00 86.24 17 A 1 ATOM 137 C C . VAL A 1 17 ? 7.484 14.930 9.851 1.00 87.16 17 A 1 ATOM 138 O O . VAL A 1 17 ? 8.276 14.428 9.058 1.00 83.92 17 A 1 ATOM 139 C CB . VAL A 1 17 ? 6.875 17.065 8.625 1.00 84.43 17 A 1 ATOM 140 C CG1 . VAL A 1 17 ? 5.524 16.478 8.172 1.00 76.20 17 A 1 ATOM 141 C CG2 . VAL A 1 17 ? 6.714 18.586 8.736 1.00 79.20 17 A 1 ATOM 142 N N . ARG A 1 18 ? 6.715 14.181 10.633 1.00 88.02 18 A 1 ATOM 143 C CA . ARG A 1 18 ? 6.725 12.713 10.571 1.00 87.21 18 A 1 ATOM 144 C C . ARG A 1 18 ? 6.229 12.234 9.198 1.00 88.11 18 A 1 ATOM 145 O O . ARG A 1 18 ? 5.163 12.670 8.751 1.00 84.47 18 A 1 ATOM 146 C CB . ARG A 1 18 ? 5.890 12.103 11.709 1.00 85.34 18 A 1 ATOM 147 C CG . ARG A 1 18 ? 6.528 12.324 13.090 1.00 74.87 18 A 1 ATOM 148 C CD . ARG A 1 18 ? 5.709 11.622 14.184 1.00 73.19 18 A 1 ATOM 149 N NE . ARG A 1 18 ? 6.303 11.810 15.524 1.00 67.38 18 A 1 ATOM 150 C CZ . ARG A 1 18 ? 5.830 11.343 16.672 1.00 58.63 18 A 1 ATOM 151 N NH1 . ARG A 1 18 ? 4.741 10.627 16.740 1.00 58.00 18 A 1 ATOM 152 N NH2 . ARG A 1 18 ? 6.453 11.595 17.794 1.00 51.33 18 A 1 ATOM 153 N N . PRO A 1 19 ? 6.944 11.319 8.527 1.00 86.20 19 A 1 ATOM 154 C CA . PRO A 1 19 ? 6.526 10.807 7.230 1.00 86.35 19 A 1 ATOM 155 C C . PRO A 1 19 ? 5.217 10.014 7.351 1.00 88.24 19 A 1 ATOM 156 O O . PRO A 1 19 ? 5.018 9.224 8.277 1.00 83.94 19 A 1 ATOM 157 C CB . PRO A 1 19 ? 7.696 9.959 6.731 1.00 84.06 19 A 1 ATOM 158 C CG . PRO A 1 19 ? 8.391 9.512 8.015 1.00 81.39 19 A 1 ATOM 159 C CD . PRO A 1 19 ? 8.186 10.694 8.956 1.00 85.16 19 A 1 ATOM 160 N N . LYS A 1 20 ? 4.324 10.181 6.361 1.00 88.01 20 A 1 ATOM 161 C CA . LYS A 1 20 ? 3.009 9.504 6.332 1.00 88.21 20 A 1 ATOM 162 C C . LYS A 1 20 ? 3.126 7.971 6.264 1.00 89.92 20 A 1 ATOM 163 O O . LYS A 1 20 ? 2.274 7.265 6.803 1.00 84.17 20 A 1 ATOM 164 C CB . LYS A 1 20 ? 2.164 10.046 5.161 1.00 85.83 20 A 1 ATOM 165 C CG . LYS A 1 20 ? 1.771 11.524 5.348 1.00 80.85 20 A 1 ATOM 166 C CD . LYS A 1 20 ? 0.930 12.057 4.171 1.00 77.79 20 A 1 ATOM 167 C CE . LYS A 1 20 ? 0.590 13.535 4.402 1.00 73.22 20 A 1 ATOM 168 N NZ . LYS A 1 20 ? -0.112 14.167 3.249 1.00 65.15 20 A 1 ATOM 169 N N . SER A 1 21 ? 4.183 7.476 5.623 1.00 89.14 21 A 1 ATOM 170 C CA . SER A 1 21 ? 4.494 6.059 5.440 1.00 89.72 21 A 1 ATOM 171 C C . SER A 1 21 ? 5.778 5.681 6.189 1.00 90.16 21 A 1 ATOM 172 O O . SER A 1 21 ? 6.835 5.518 5.585 1.00 84.89 21 A 1 ATOM 173 C CB . SER A 1 21 ? 4.586 5.745 3.938 1.00 87.90 21 A 1 ATOM 174 O OG . SER A 1 21 ? 5.482 6.625 3.297 1.00 80.83 21 A 1 ATOM 175 N N . ALA A 1 22 ? 5.699 5.546 7.503 1.00 90.62 22 A 1 ATOM 176 C CA . ALA A 1 22 ? 6.863 5.296 8.364 1.00 89.76 22 A 1 ATOM 177 C C . ALA A 1 22 ? 7.640 4.003 8.041 1.00 90.83 22 A 1 ATOM 178 O O . ALA A 1 22 ? 8.850 3.948 8.242 1.00 85.34 22 A 1 ATOM 179 C CB . ALA A 1 22 ? 6.382 5.299 9.821 1.00 87.74 22 A 1 ATOM 180 N N . ALA A 1 23 ? 6.977 2.979 7.487 1.00 91.75 23 A 1 ATOM 181 C CA . ALA A 1 23 ? 7.621 1.715 7.109 1.00 91.58 23 A 1 ATOM 182 C C . ALA A 1 23 ? 8.486 1.806 5.835 1.00 92.75 23 A 1 ATOM 183 O O . ALA A 1 23 ? 9.339 0.953 5.604 1.00 88.08 23 A 1 ATOM 184 C CB . ALA A 1 23 ? 6.528 0.653 6.968 1.00 90.45 23 A 1 ATOM 185 N N . LEU A 1 24 ? 8.296 2.836 5.010 1.00 91.84 24 A 1 ATOM 186 C CA . LEU A 1 24 ? 9.049 3.082 3.780 1.00 91.36 24 A 1 ATOM 187 C C . LEU A 1 24 ? 10.023 4.248 3.990 1.00 90.43 24 A 1 ATOM 188 O O . LEU A 1 24 ? 9.834 5.344 3.470 1.00 85.87 24 A 1 ATOM 189 C CB . LEU A 1 24 ? 8.077 3.313 2.605 1.00 90.36 24 A 1 ATOM 190 C CG . LEU A 1 24 ? 7.180 2.115 2.262 1.00 89.99 24 A 1 ATOM 191 C CD1 . LEU A 1 24 ? 6.206 2.510 1.150 1.00 85.93 24 A 1 ATOM 192 C CD2 . LEU A 1 24 ? 7.966 0.899 1.787 1.00 85.86 24 A 1 ATOM 193 N N . LYS A 1 25 ? 11.067 4.026 4.774 1.00 87.72 25 A 1 ATOM 194 C CA . LYS A 1 25 ? 12.131 5.018 4.980 1.00 85.23 25 A 1 ATOM 195 C C . LYS A 1 25 ? 13.064 5.034 3.766 1.00 84.93 25 A 1 ATOM 196 O O . LYS A 1 25 ? 13.627 3.996 3.437 1.00 77.58 25 A 1 ATOM 197 C CB . LYS A 1 25 ? 12.911 4.729 6.271 1.00 82.59 25 A 1 ATOM 198 C CG . LYS A 1 25 ? 12.075 4.936 7.547 1.00 74.28 25 A 1 ATOM 199 C CD . LYS A 1 25 ? 12.942 4.736 8.795 1.00 73.08 25 A 1 ATOM 200 C CE . LYS A 1 25 ? 12.133 4.934 10.083 1.00 67.24 25 A 1 ATOM 201 N NZ . LYS A 1 25 ? 12.982 4.766 11.301 1.00 58.47 25 A 1 ATOM 202 N N . ARG A 1 26 ? 13.236 6.206 3.131 1.00 84.45 26 A 1 ATOM 203 C CA . ARG A 1 26 ? 14.163 6.463 2.002 1.00 84.02 26 A 1 ATOM 204 C C . ARG A 1 26 ? 13.988 5.533 0.781 1.00 85.41 26 A 1 ATOM 205 O O . ARG A 1 26 ? 14.902 5.396 -0.020 1.00 79.39 26 A 1 ATOM 206 C CB . ARG A 1 26 ? 15.627 6.475 2.501 1.00 81.55 26 A 1 ATOM 207 C CG . ARG A 1 26 ? 15.919 7.523 3.590 1.00 74.78 26 A 1 ATOM 208 C CD . ARG A 1 26 ? 17.398 7.439 3.996 1.00 71.36 26 A 1 ATOM 209 N NE . ARG A 1 26 ? 17.754 8.458 5.010 1.00 64.17 26 A 1 ATOM 210 C CZ . ARG A 1 26 ? 18.925 8.558 5.632 1.00 55.03 26 A 1 ATOM 211 N NH1 . ARG A 1 26 ? 19.903 7.718 5.417 1.00 51.13 26 A 1 ATOM 212 N NH2 . ARG A 1 26 ? 19.136 9.519 6.493 1.00 48.98 26 A 1 ATOM 213 N N . CYS A 1 27 ? 12.823 4.906 0.628 1.00 87.39 27 A 1 ATOM 214 C CA . CYS A 1 27 ? 12.518 4.044 -0.503 1.00 88.09 27 A 1 ATOM 215 C C . CYS A 1 27 ? 11.056 4.214 -0.936 1.00 88.74 27 A 1 ATOM 216 O O . CYS A 1 27 ? 10.176 4.363 -0.081 1.00 83.68 27 A 1 ATOM 217 C CB . CYS A 1 27 ? 12.856 2.587 -0.150 1.00 85.39 27 A 1 ATOM 218 S SG . CYS A 1 27 ? 11.865 1.993 1.259 1.00 78.94 27 A 1 ATOM 219 N N . PRO A 1 28 ? 10.763 4.176 -2.254 1.00 87.25 28 A 1 ATOM 220 C CA . PRO A 1 28 ? 9.387 4.293 -2.735 1.00 86.41 28 A 1 ATOM 221 C C . PRO A 1 28 ? 8.570 3.010 -2.524 1.00 87.66 28 A 1 ATOM 222 O O . PRO A 1 28 ? 7.344 3.070 -2.393 1.00 83.02 28 A 1 ATOM 223 C CB . PRO A 1 28 ? 9.538 4.653 -4.218 1.00 83.75 28 A 1 ATOM 224 C CG . PRO A 1 28 ? 10.872 4.020 -4.617 1.00 81.01 28 A 1 ATOM 225 C CD . PRO A 1 28 ? 11.709 4.139 -3.353 1.00 84.90 28 A 1 ATOM 226 N N . GLN A 1 29 ? 9.241 1.855 -2.515 1.00 87.83 29 A 1 ATOM 227 C CA . GLN A 1 29 ? 8.633 0.525 -2.486 1.00 89.47 29 A 1 ATOM 228 C C . GLN A 1 29 ? 9.498 -0.434 -1.663 1.00 90.60 29 A 1 ATOM 229 O O . GLN A 1 29 ? 10.714 -0.299 -1.629 1.00 87.85 29 A 1 ATOM 230 C CB . GLN A 1 29 ? 8.505 -0.013 -3.921 1.00 85.76 29 A 1 ATOM 231 C CG . GLN A 1 29 ? 7.528 0.790 -4.802 1.00 80.51 29 A 1 ATOM 232 C CD . GLN A 1 29 ? 7.898 0.807 -6.281 1.00 82.16 29 A 1 ATOM 233 O OE1 . GLN A 1 29 ? 8.934 0.351 -6.693 1.00 74.56 29 A 1 ATOM 234 N NE2 . GLN A 1 29 ? 7.080 1.386 -7.137 1.00 73.18 29 A 1 ATOM 235 N N . ARG A 1 30 ? 8.876 -1.441 -1.047 1.00 91.52 30 A 1 ATOM 236 C CA . ARG A 1 30 ? 9.564 -2.543 -0.358 1.00 91.85 30 A 1 ATOM 237 C C . ARG A 1 30 ? 8.890 -3.880 -0.642 1.00 92.14 30 A 1 ATOM 238 O O . ARG A 1 30 ? 7.674 -3.944 -0.813 1.00 90.12 30 A 1 ATOM 239 C CB . ARG A 1 30 ? 9.642 -2.295 1.154 1.00 91.55 30 A 1 ATOM 240 C CG . ARG A 1 30 ? 10.739 -1.276 1.490 1.00 86.89 30 A 1 ATOM 241 C CD . ARG A 1 30 ? 10.977 -1.183 2.995 1.00 86.86 30 A 1 ATOM 242 N NE . ARG A 1 30 ? 12.109 -0.270 3.278 1.00 84.25 30 A 1 ATOM 243 C CZ . ARG A 1 30 ? 12.676 -0.067 4.454 1.00 81.96 30 A 1 ATOM 244 N NH1 . ARG A 1 30 ? 12.256 -0.643 5.541 1.00 74.37 30 A 1 ATOM 245 N NH2 . ARG A 1 30 ? 13.698 0.729 4.558 1.00 76.20 30 A 1 ATOM 246 N N . ARG A 1 31 ? 9.708 -4.945 -0.646 1.00 91.61 31 A 1 ATOM 247 C CA . ARG A 1 31 ? 9.204 -6.320 -0.684 1.00 91.93 31 A 1 ATOM 248 C C . ARG A 1 31 ? 8.646 -6.710 0.687 1.00 93.03 31 A 1 ATOM 249 O O . ARG A 1 31 ? 9.126 -6.238 1.721 1.00 90.80 31 A 1 ATOM 250 C CB . ARG A 1 31 ? 10.303 -7.297 -1.138 1.00 89.62 31 A 1 ATOM 251 C CG . ARG A 1 31 ? 10.710 -7.069 -2.602 1.00 83.26 31 A 1 ATOM 252 C CD . ARG A 1 31 ? 11.776 -8.084 -3.026 1.00 81.76 31 A 1 ATOM 253 N NE . ARG A 1 31 ? 12.230 -7.865 -4.417 1.00 76.81 31 A 1 ATOM 254 C CZ . ARG A 1 31 ? 13.177 -8.553 -5.045 1.00 73.35 31 A 1 ATOM 255 N NH1 . ARG A 1 31 ? 13.818 -9.535 -4.469 1.00 66.01 31 A 1 ATOM 256 N NH2 . ARG A 1 31 ? 13.503 -8.266 -6.271 1.00 65.42 31 A 1 ATOM 257 N N . GLY A 1 32 ? 7.651 -7.577 0.662 1.00 92.67 32 A 1 ATOM 258 C CA . GLY A 1 32 ? 7.074 -8.174 1.854 1.00 92.40 32 A 1 ATOM 259 C C . GLY A 1 32 ? 6.437 -9.524 1.547 1.00 92.47 32 A 1 ATOM 260 O O . GLY A 1 32 ? 6.296 -9.898 0.385 1.00 90.71 32 A 1 ATOM 261 N N . VAL A 1 33 ? 6.063 -10.228 2.589 1.00 94.05 33 A 1 ATOM 262 C CA . VAL A 1 33 ? 5.347 -11.502 2.526 1.00 94.22 33 A 1 ATOM 263 C C . VAL A 1 33 ? 3.945 -11.285 3.076 1.00 94.36 33 A 1 ATOM 264 O O . VAL A 1 33 ? 3.776 -10.655 4.120 1.00 92.54 33 A 1 ATOM 265 C CB . VAL A 1 33 ? 6.109 -12.598 3.285 1.00 93.33 33 A 1 ATOM 266 C CG1 . VAL A 1 33 ? 5.382 -13.940 3.199 1.00 87.75 33 A 1 ATOM 267 C CG2 . VAL A 1 33 ? 7.515 -12.787 2.697 1.00 88.03 33 A 1 ATOM 268 N N . CYS A 1 34 ? 2.937 -11.764 2.349 1.00 94.11 34 A 1 ATOM 269 C CA . CYS A 1 34 ? 1.554 -11.724 2.801 1.00 93.58 34 A 1 ATOM 270 C C . CYS A 1 34 ? 1.369 -12.700 3.965 1.00 93.96 34 A 1 ATOM 271 O O . CYS A 1 34 ? 1.658 -13.878 3.824 1.00 91.85 34 A 1 ATOM 272 C CB . CYS A 1 34 ? 0.638 -12.069 1.626 1.00 91.62 34 A 1 ATOM 273 S SG . CYS A 1 34 ? -1.080 -11.791 2.128 1.00 84.57 34 A 1 ATOM 274 N N . VAL A 1 35 ? 0.887 -12.210 5.091 1.00 94.84 35 A 1 ATOM 275 C CA . VAL A 1 35 ? 0.609 -13.038 6.275 1.00 94.81 35 A 1 ATOM 276 C C . VAL A 1 35 ? -0.854 -13.465 6.291 1.00 94.72 35 A 1 ATOM 277 O O . VAL A 1 35 ? -1.163 -14.604 6.590 1.00 92.05 35 A 1 ATOM 278 C CB . VAL A 1 35 ? 0.960 -12.286 7.570 1.00 94.18 35 A 1 ATOM 279 C CG1 . VAL A 1 35 ? 0.696 -13.128 8.823 1.00 87.37 35 A 1 ATOM 280 C CG2 . VAL A 1 35 ? 2.436 -11.868 7.590 1.00 87.02 35 A 1 ATOM 281 N N . LYS A 1 36 ? -1.764 -12.542 5.968 1.00 94.05 36 A 1 ATOM 282 C CA . LYS A 1 36 ? -3.203 -12.804 5.990 1.00 94.10 36 A 1 ATOM 283 C C . LYS A 1 36 ? -3.932 -11.876 5.032 1.00 94.11 36 A 1 ATOM 284 O O . LYS A 1 36 ? -3.607 -10.695 4.946 1.00 91.17 36 A 1 ATOM 285 C CB . LYS A 1 36 ? -3.720 -12.653 7.433 1.00 92.99 36 A 1 ATOM 286 C CG . LYS A 1 36 ? -5.182 -13.079 7.585 1.00 87.43 36 A 1 ATOM 287 C CD . LYS A 1 36 ? -5.606 -13.146 9.054 1.00 84.77 36 A 1 ATOM 288 C CE . LYS A 1 36 ? -7.055 -13.640 9.143 1.00 77.84 36 A 1 ATOM 289 N NZ . LYS A 1 36 ? -7.465 -13.944 10.534 1.00 68.95 36 A 1 ATOM 290 N N . VAL A 1 37 ? -4.961 -12.394 4.376 1.00 92.77 37 A 1 ATOM 291 C CA . VAL A 1 37 ? -5.886 -11.622 3.537 1.00 92.06 37 A 1 ATOM 292 C C . VAL A 1 37 ? -7.262 -11.616 4.190 1.00 92.47 37 A 1 ATOM 293 O O . VAL A 1 37 ? -7.743 -12.648 4.641 1.00 90.66 37 A 1 ATOM 294 C CB . VAL A 1 37 ? -5.954 -12.186 2.110 1.00 90.12 37 A 1 ATOM 295 C CG1 . VAL A 1 37 ? -6.848 -11.299 1.242 1.00 84.62 37 A 1 ATOM 296 C CG2 . VAL A 1 37 ? -4.567 -12.247 1.464 1.00 85.12 37 A 1 ATOM 297 N N . TYR A 1 38 ? -7.898 -10.449 4.240 1.00 92.31 38 A 1 ATOM 298 C CA . TYR A 1 38 ? -9.243 -10.312 4.792 1.00 92.36 38 A 1 ATOM 299 C C . TYR A 1 38 ? -9.978 -9.118 4.176 1.00 92.79 38 A 1 ATOM 300 O O . TYR A 1 38 ? -9.385 -8.248 3.534 1.00 90.93 38 A 1 ATOM 301 C CB . TYR A 1 38 ? -9.173 -10.221 6.327 1.00 92.14 38 A 1 ATOM 302 C CG . TYR A 1 38 ? -8.404 -9.029 6.875 1.00 93.34 38 A 1 ATOM 303 C CD1 . TYR A 1 38 ? -6.995 -9.063 6.942 1.00 89.02 38 A 1 ATOM 304 C CD2 . TYR A 1 38 ? -9.096 -7.892 7.336 1.00 91.16 38 A 1 ATOM 305 C CE1 . TYR A 1 38 ? -6.283 -7.967 7.464 1.00 88.80 38 A 1 ATOM 306 C CE2 . TYR A 1 38 ? -8.385 -6.791 7.859 1.00 90.68 38 A 1 ATOM 307 C CZ . TYR A 1 38 ? -6.979 -6.832 7.923 1.00 92.14 38 A 1 ATOM 308 O OH . TYR A 1 38 ? -6.290 -5.768 8.425 1.00 90.03 38 A 1 ATOM 309 N N . THR A 1 39 ? -11.288 -9.079 4.363 1.00 92.36 39 A 1 ATOM 310 C CA . THR A 1 39 ? -12.143 -7.965 3.944 1.00 92.16 39 A 1 ATOM 311 C C . THR A 1 39 ? -12.437 -7.045 5.122 1.00 92.36 39 A 1 ATOM 312 O O . THR A 1 39 ? -12.579 -7.487 6.257 1.00 89.43 39 A 1 ATOM 313 C CB . THR A 1 39 ? -13.441 -8.465 3.297 1.00 90.48 39 A 1 ATOM 314 O OG1 . THR A 1 39 ? -14.067 -9.416 4.120 1.00 82.46 39 A 1 ATOM 315 C CG2 . THR A 1 39 ? -13.170 -9.142 1.953 1.00 80.49 39 A 1 ATOM 316 N N . THR A 1 40 ? -12.508 -5.746 4.848 1.00 93.15 40 A 1 ATOM 317 C CA . THR A 1 40 ? -12.837 -4.736 5.862 1.00 93.62 40 A 1 ATOM 318 C C . THR A 1 40 ? -13.913 -3.805 5.323 1.00 94.25 40 A 1 ATOM 319 O O . THR A 1 40 ? -13.908 -3.448 4.141 1.00 91.59 40 A 1 ATOM 320 C CB . THR A 1 40 ? -11.589 -3.951 6.290 1.00 92.39 40 A 1 ATOM 321 O OG1 . THR A 1 40 ? -10.617 -4.838 6.781 1.00 78.45 40 A 1 ATOM 322 C CG2 . THR A 1 40 ? -11.838 -2.960 7.417 1.00 79.08 40 A 1 ATOM 323 N N . THR A 1 41 ? -14.826 -3.394 6.187 1.00 94.86 41 A 1 ATOM 324 C CA . THR A 1 41 ? -15.850 -2.395 5.876 1.00 95.16 41 A 1 ATOM 325 C C . THR A 1 41 ? -15.223 -1.003 5.778 1.00 95.83 41 A 1 ATOM 326 O O . THR A 1 41 ? -14.431 -0.616 6.643 1.00 92.95 41 A 1 ATOM 327 C CB . THR A 1 41 ? -16.967 -2.398 6.927 1.00 93.60 41 A 1 ATOM 328 O OG1 . THR A 1 41 ? -16.425 -2.354 8.220 1.00 86.63 41 A 1 ATOM 329 C CG2 . THR A 1 41 ? -17.815 -3.666 6.832 1.00 83.23 41 A 1 ATOM 330 N N . PRO A 1 42 ? -15.537 -0.228 4.725 1.00 94.94 42 A 1 ATOM 331 C CA . PRO A 1 42 ? -15.052 1.137 4.599 1.00 94.74 42 A 1 ATOM 332 C C . PRO A 1 42 ? -15.758 2.082 5.580 1.00 94.97 42 A 1 ATOM 333 O O . PRO A 1 42 ? -16.809 1.786 6.143 1.00 92.38 42 A 1 ATOM 334 C CB . PRO A 1 42 ? -15.314 1.506 3.140 1.00 93.25 42 A 1 ATOM 335 C CG . PRO A 1 42 ? -16.569 0.707 2.815 1.00 90.33 42 A 1 ATOM 336 C CD . PRO A 1 42 ? -16.381 -0.582 3.605 1.00 93.47 42 A 1 ATOM 337 N N . LYS A 1 43 ? -15.180 3.275 5.742 1.00 95.11 43 A 1 ATOM 338 C CA . LYS A 1 43 ? -15.788 4.360 6.508 1.00 94.70 43 A 1 ATOM 339 C C . LYS A 1 43 ? -17.032 4.886 5.781 1.00 95.14 43 A 1 ATOM 340 O O . LYS A 1 43 ? -17.012 5.029 4.562 1.00 91.97 43 A 1 ATOM 341 C CB . LYS A 1 43 ? -14.730 5.451 6.756 1.00 92.83 43 A 1 ATOM 342 C CG . LYS A 1 43 ? -15.224 6.515 7.738 1.00 87.96 43 A 1 ATOM 343 C CD . LYS A 1 43 ? -14.166 7.582 8.022 1.00 85.43 43 A 1 ATOM 344 C CE . LYS A 1 43 ? -14.770 8.624 8.970 1.00 82.84 43 A 1 ATOM 345 N NZ . LYS A 1 43 ? -13.829 9.722 9.283 1.00 76.21 43 A 1 ATOM 346 N N . LYS A 1 44 ? -18.082 5.247 6.533 1.00 93.80 44 A 1 ATOM 347 C CA . LYS A 1 44 ? -19.284 5.918 5.999 1.00 93.40 44 A 1 ATOM 348 C C . LYS A 1 44 ? -18.896 7.144 5.153 1.00 93.35 44 A 1 ATOM 349 O O . LYS A 1 44 ? -17.999 7.872 5.571 1.00 87.80 44 A 1 ATOM 350 C CB . LYS A 1 44 ? -20.233 6.328 7.140 1.00 91.71 44 A 1 ATOM 351 C CG . LYS A 1 44 ? -20.889 5.135 7.854 1.00 86.11 44 A 1 ATOM 352 C CD . LYS A 1 44 ? -21.911 5.596 8.905 1.00 82.19 44 A 1 ATOM 353 C CE . LYS A 1 44 ? -22.583 4.391 9.587 1.00 79.15 44 A 1 ATOM 354 N NZ . LYS A 1 44 ? -23.631 4.789 10.563 1.00 72.86 44 A 1 ATOM 355 N N . PRO A 1 45 ? -19.537 7.408 3.983 1.00 93.25 45 A 1 ATOM 356 C CA . PRO A 1 45 ? -20.797 6.835 3.475 1.00 92.72 45 A 1 ATOM 357 C C . PRO A 1 45 ? -20.662 5.557 2.622 1.00 93.44 45 A 1 ATOM 358 O O . PRO A 1 45 ? -21.667 5.033 2.152 1.00 88.81 45 A 1 ATOM 359 C CB . PRO A 1 45 ? -21.411 7.979 2.657 1.00 91.11 45 A 1 ATOM 360 C CG . PRO A 1 45 ? -20.185 8.650 2.044 1.00 87.86 45 A 1 ATOM 361 C CD . PRO A 1 45 ? -19.139 8.537 3.159 1.00 91.06 45 A 1 ATOM 362 N N . ASN A 1 46 ? -19.450 5.031 2.401 1.00 92.62 46 A 1 ATOM 363 C CA . ASN A 1 46 ? -19.234 3.860 1.550 1.00 93.45 46 A 1 ATOM 364 C C . ASN A 1 46 ? -19.642 2.561 2.271 1.00 93.54 46 A 1 ATOM 365 O O . ASN A 1 46 ? -19.372 2.397 3.457 1.00 89.54 46 A 1 ATOM 366 C CB . ASN A 1 46 ? -17.771 3.832 1.089 1.00 91.78 46 A 1 ATOM 367 C CG . ASN A 1 46 ? -17.397 5.021 0.218 1.00 90.18 46 A 1 ATOM 368 O OD1 . ASN A 1 46 ? -18.191 5.521 -0.552 1.00 82.48 46 A 1 ATOM 369 N ND2 . ASN A 1 46 ? -16.179 5.490 0.287 1.00 84.27 46 A 1 ATOM 370 N N . SER A 1 47 ? -20.233 1.620 1.532 1.00 93.32 47 A 1 ATOM 371 C CA . SER A 1 47 ? -20.707 0.329 2.062 1.00 92.75 47 A 1 ATOM 372 C C . SER A 1 47 ? -19.981 -0.888 1.479 1.00 92.35 47 A 1 ATOM 373 O O . SER A 1 47 ? -19.918 -1.936 2.113 1.00 86.79 47 A 1 ATOM 374 C CB . SER A 1 47 ? -22.213 0.201 1.808 1.00 90.54 47 A 1 ATOM 375 O OG . SER A 1 47 ? -22.475 0.389 0.429 1.00 84.12 47 A 1 ATOM 376 N N . ALA A 1 48 ? -19.389 -0.771 0.276 1.00 90.50 48 A 1 ATOM 377 C CA . ALA A 1 48 ? -18.739 -1.894 -0.395 1.00 90.32 48 A 1 ATOM 378 C C . ALA A 1 48 ? -17.486 -2.373 0.359 1.00 91.27 48 A 1 ATOM 379 O O . ALA A 1 48 ? -16.576 -1.587 0.630 1.00 88.49 48 A 1 ATOM 380 C CB . ALA A 1 48 ? -18.413 -1.491 -1.836 1.00 88.07 48 A 1 ATOM 381 N N . LEU A 1 49 ? -17.392 -3.683 0.607 1.00 91.58 49 A 1 ATOM 382 C CA . LEU A 1 49 ? -16.243 -4.306 1.260 1.00 91.14 49 A 1 ATOM 383 C C . LEU A 1 49 ? -14.943 -4.058 0.475 1.00 90.71 49 A 1 ATOM 384 O O . LEU A 1 49 ? -14.907 -4.082 -0.761 1.00 87.52 49 A 1 ATOM 385 C CB . LEU A 1 49 ? -16.496 -5.814 1.447 1.00 90.35 49 A 1 ATOM 386 C CG . LEU A 1 49 ? -17.653 -6.166 2.408 1.00 87.18 49 A 1 ATOM 387 C CD1 . LEU A 1 49 ? -17.890 -7.675 2.389 1.00 82.02 49 A 1 ATOM 388 C CD2 . LEU A 1 49 ? -17.363 -5.745 3.843 1.00 81.88 49 A 1 ATOM 389 N N . ARG A 1 50 ? -13.850 -3.837 1.190 1.00 91.06 50 A 1 ATOM 390 C CA . ARG A 1 50 ? -12.508 -3.632 0.646 1.00 91.05 50 A 1 ATOM 391 C C . ARG A 1 50 ? -11.599 -4.778 1.064 1.00 91.63 50 A 1 ATOM 392 O O . ARG A 1 50 ? -11.568 -5.157 2.229 1.00 90.01 50 A 1 ATOM 393 C CB . ARG A 1 50 ? -11.954 -2.284 1.117 1.00 90.04 50 A 1 ATOM 394 C CG . ARG A 1 50 ? -12.761 -1.062 0.653 1.00 87.63 50 A 1 ATOM 395 C CD . ARG A 1 50 ? -12.647 -0.814 -0.853 1.00 86.11 50 A 1 ATOM 396 N NE . ARG A 1 50 ? -13.396 0.397 -1.234 1.00 85.24 50 A 1 ATOM 397 C CZ . ARG A 1 50 ? -14.554 0.438 -1.889 1.00 85.79 50 A 1 ATOM 398 N NH1 . ARG A 1 50 ? -15.138 -0.640 -2.324 1.00 76.81 50 A 1 ATOM 399 N NH2 . ARG A 1 50 ? -15.147 1.575 -2.096 1.00 80.79 50 A 1 ATOM 400 N N . LYS A 1 51 ? -10.826 -5.291 0.104 1.00 91.01 51 A 1 ATOM 401 C CA . LYS A 1 51 ? -9.835 -6.336 0.358 1.00 90.74 51 A 1 ATOM 402 C C . LYS A 1 51 ? -8.525 -5.710 0.823 1.00 91.58 51 A 1 ATOM 403 O O . LYS A 1 51 ? -7.992 -4.801 0.179 1.00 90.28 51 A 1 ATOM 404 C CB . LYS A 1 51 ? -9.648 -7.218 -0.883 1.00 88.85 51 A 1 ATOM 405 C CG . LYS A 1 51 ? -10.929 -8.007 -1.218 1.00 83.66 51 A 1 ATOM 406 C CD . LYS A 1 51 ? -10.744 -8.874 -2.464 1.00 79.71 51 A 1 ATOM 407 C CE . LYS A 1 51 ? -12.030 -9.651 -2.763 1.00 74.84 51 A 1 ATOM 408 N NZ . LYS A 1 51 ? -11.920 -10.487 -3.980 1.00 68.98 51 A 1 ATOM 409 N N . VAL A 1 52 ? -8.010 -6.208 1.928 1.00 93.05 52 A 1 ATOM 410 C CA . VAL A 1 52 ? -6.752 -5.772 2.533 1.00 93.45 52 A 1 ATOM 411 C C . VAL A 1 52 ? -5.914 -6.986 2.921 1.00 93.31 52 A 1 ATOM 412 O O . VAL A 1 52 ? -6.445 -8.060 3.190 1.00 91.83 52 A 1 ATOM 413 C CB . VAL A 1 52 ? -6.978 -4.847 3.743 1.00 92.99 52 A 1 ATOM 414 C CG1 . VAL A 1 52 ? -7.618 -3.524 3.322 1.00 88.25 52 A 1 ATOM 415 C CG2 . VAL A 1 52 ? -7.853 -5.475 4.826 1.00 87.99 52 A 1 ATOM 416 N N . ALA A 1 53 ? -4.604 -6.810 2.938 1.00 94.00 53 A 1 ATOM 417 C CA . ALA A 1 53 ? -3.667 -7.834 3.368 1.00 93.83 53 A 1 ATOM 418 C C . ALA A 1 53 ? -2.760 -7.301 4.477 1.00 94.69 53 A 1 ATOM 419 O O . ALA A 1 53 ? -2.278 -6.167 4.416 1.00 93.80 53 A 1 ATOM 420 C CB . ALA A 1 53 ? -2.877 -8.337 2.160 1.00 92.42 53 A 1 ATOM 421 N N . ARG A 1 54 ? -2.494 -8.135 5.460 1.00 95.64 54 A 1 ATOM 422 C CA . ARG A 1 54 ? -1.383 -7.948 6.396 1.00 96.01 54 A 1 ATOM 423 C C . ARG A 1 54 ? -0.108 -8.418 5.710 1.00 96.29 54 A 1 ATOM 424 O O . ARG A 1 54 ? -0.037 -9.554 5.255 1.00 95.11 54 A 1 ATOM 425 C CB . ARG A 1 54 ? -1.642 -8.727 7.692 1.00 95.18 54 A 1 ATOM 426 C CG . ARG A 1 54 ? -2.770 -8.129 8.530 1.00 87.28 54 A 1 ATOM 427 C CD . ARG A 1 54 ? -2.403 -6.796 9.199 1.00 86.69 54 A 1 ATOM 428 N NE . ARG A 1 54 ? -1.420 -6.981 10.281 1.00 82.52 54 A 1 ATOM 429 C CZ . ARG A 1 54 ? -0.950 -6.050 11.096 1.00 80.05 54 A 1 ATOM 430 N NH1 . ARG A 1 54 ? -1.315 -4.799 11.009 1.00 70.25 54 A 1 ATOM 431 N NH2 . ARG A 1 54 ? -0.099 -6.372 12.027 1.00 71.07 54 A 1 ATOM 432 N N . VAL A 1 55 ? 0.868 -7.542 5.610 1.00 94.65 55 A 1 ATOM 433 C CA . VAL A 1 55 ? 2.134 -7.811 4.926 1.00 94.76 55 A 1 ATOM 434 C C . VAL A 1 55 ? 3.281 -7.552 5.886 1.00 95.33 55 A 1 ATOM 435 O O . VAL A 1 55 ? 3.420 -6.447 6.406 1.00 93.94 55 A 1 ATOM 436 C CB . VAL A 1 55 ? 2.277 -6.963 3.648 1.00 93.86 55 A 1 ATOM 437 C CG1 . VAL A 1 55 ? 3.570 -7.308 2.903 1.00 90.22 55 A 1 ATOM 438 C CG2 . VAL A 1 55 ? 1.108 -7.183 2.682 1.00 90.55 55 A 1 ATOM 439 N N . LYS A 1 56 ? 4.131 -8.562 6.071 1.00 95.66 56 A 1 ATOM 440 C CA . LYS A 1 56 ? 5.404 -8.438 6.778 1.00 95.94 56 A 1 ATOM 441 C C . LYS A 1 56 ? 6.473 -7.992 5.790 1.00 96.01 56 A 1 ATOM 442 O O . LYS A 1 56 ? 6.794 -8.711 4.849 1.00 94.27 56 A 1 ATOM 443 C CB . LYS A 1 56 ? 5.723 -9.770 7.464 1.00 95.54 56 A 1 ATOM 444 C CG . LYS A 1 56 ? 6.914 -9.661 8.420 1.00 91.58 56 A 1 ATOM 445 C CD . LYS A 1 56 ? 7.062 -10.963 9.221 1.00 88.53 56 A 1 ATOM 446 C CE . LYS A 1 56 ? 8.186 -10.860 10.254 1.00 82.11 56 A 1 ATOM 447 N NZ . LYS A 1 56 ? 8.240 -12.073 11.111 1.00 72.42 56 A 1 ATOM 448 N N . LEU A 1 57 ? 6.994 -6.784 5.966 1.00 94.39 57 A 1 ATOM 449 C CA . LEU A 1 57 ? 8.052 -6.239 5.119 1.00 94.32 57 A 1 ATOM 450 C C . LEU A 1 57 ? 9.402 -6.889 5.446 1.00 93.83 57 A 1 ATOM 451 O O . LEU A 1 57 ? 9.625 -7.362 6.553 1.00 90.92 57 A 1 ATOM 452 C CB . LEU A 1 57 ? 8.117 -4.714 5.280 1.00 93.86 57 A 1 ATOM 453 C CG . LEU A 1 57 ? 6.856 -3.960 4.826 1.00 93.24 57 A 1 ATOM 454 C CD1 . LEU A 1 57 ? 7.046 -2.462 5.092 1.00 89.52 57 A 1 ATOM 455 C CD2 . LEU A 1 57 ? 6.573 -4.139 3.337 1.00 89.03 57 A 1 ATOM 456 N N . THR A 1 58 ? 10.341 -6.812 4.502 1.00 94.31 58 A 1 ATOM 457 C CA . THR A 1 58 ? 11.729 -7.265 4.721 1.00 92.88 58 A 1 ATOM 458 C C . THR A 1 58 ? 12.441 -6.542 5.869 1.00 92.54 58 A 1 ATOM 459 O O . THR A 1 58 ? 13.401 -7.057 6.426 1.00 88.02 58 A 1 ATOM 460 C CB . THR A 1 58 ? 12.563 -7.076 3.449 1.00 91.22 58 A 1 ATOM 461 O OG1 . THR A 1 58 ? 12.408 -5.765 2.948 1.00 84.14 58 A 1 ATOM 462 C CG2 . THR A 1 58 ? 12.136 -8.036 2.338 1.00 81.15 58 A 1 ATOM 463 N N . SER A 1 59 ? 11.960 -5.369 6.248 1.00 92.42 59 A 1 ATOM 464 C CA . SER A 1 59 ? 12.458 -4.622 7.408 1.00 91.20 59 A 1 ATOM 465 C C . SER A 1 59 ? 11.921 -5.117 8.761 1.00 91.28 59 A 1 ATOM 466 O O . SER A 1 59 ? 12.164 -4.464 9.770 1.00 86.12 59 A 1 ATOM 467 C CB . SER A 1 59 ? 12.148 -3.135 7.231 1.00 89.62 59 A 1 ATOM 468 O OG . SER A 1 59 ? 10.754 -2.912 7.109 1.00 82.41 59 A 1 ATOM 469 N N . GLY A 1 60 ? 11.133 -6.190 8.779 1.00 92.66 60 A 1 ATOM 470 C CA . GLY A 1 60 ? 10.510 -6.736 9.991 1.00 91.74 60 A 1 ATOM 471 C C . GLY A 1 60 ? 9.181 -6.080 10.393 1.00 92.44 60 A 1 ATOM 472 O O . GLY A 1 60 ? 8.422 -6.672 11.153 1.00 88.84 60 A 1 ATOM 473 N N . TYR A 1 61 ? 8.854 -4.892 9.837 1.00 93.36 61 A 1 ATOM 474 C CA . TYR A 1 61 ? 7.591 -4.218 10.136 1.00 93.53 61 A 1 ATOM 475 C C . TYR A 1 61 ? 6.404 -4.904 9.463 1.00 94.65 61 A 1 ATOM 476 O O . TYR A 1 61 ? 6.430 -5.194 8.267 1.00 92.03 61 A 1 ATOM 477 C CB . TYR A 1 61 ? 7.643 -2.743 9.728 1.00 91.50 61 A 1 ATOM 478 C CG . TYR A 1 61 ? 8.578 -1.912 10.579 1.00 88.23 61 A 1 ATOM 479 C CD1 . TYR A 1 61 ? 8.218 -1.577 11.899 1.00 81.80 61 A 1 ATOM 480 C CD2 . TYR A 1 61 ? 9.820 -1.488 10.065 1.00 80.82 61 A 1 ATOM 481 C CE1 . TYR A 1 61 ? 9.100 -0.834 12.706 1.00 77.66 61 A 1 ATOM 482 C CE2 . TYR A 1 61 ? 10.706 -0.744 10.872 1.00 78.11 61 A 1 ATOM 483 C CZ . TYR A 1 61 ? 10.344 -0.420 12.195 1.00 78.58 61 A 1 ATOM 484 O OH . TYR A 1 61 ? 11.205 0.290 12.981 1.00 76.62 61 A 1 ATOM 485 N N . GLU A 1 62 ? 5.321 -5.065 10.219 1.00 94.32 62 A 1 ATOM 486 C CA . GLU A 1 62 ? 4.037 -5.487 9.683 1.00 94.63 62 A 1 ATOM 487 C C . GLU A 1 62 ? 3.154 -4.290 9.352 1.00 94.49 62 A 1 ATOM 488 O O . GLU A 1 62 ? 2.950 -3.390 10.168 1.00 90.89 62 A 1 ATOM 489 C CB . GLU A 1 62 ? 3.320 -6.411 10.651 1.00 92.97 62 A 1 ATOM 490 C CG . GLU A 1 62 ? 4.009 -7.766 10.756 1.00 82.10 62 A 1 ATOM 491 C CD . GLU A 1 62 ? 3.199 -8.742 11.610 1.00 80.65 62 A 1 ATOM 492 O OE1 . GLU A 1 62 ? 3.777 -9.800 11.934 1.00 73.91 62 A 1 ATOM 493 O OE2 . GLU A 1 62 ? 2.019 -8.421 11.898 1.00 74.15 62 A 1 ATOM 494 N N . VAL A 1 63 ? 2.599 -4.290 8.132 1.00 96.03 63 A 1 ATOM 495 C CA . VAL A 1 63 ? 1.737 -3.217 7.638 1.00 95.72 63 A 1 ATOM 496 C C . VAL A 1 63 ? 0.461 -3.781 7.035 1.00 95.83 63 A 1 ATOM 497 O O . VAL A 1 63 ? 0.453 -4.859 6.452 1.00 94.21 63 A 1 ATOM 498 C CB . VAL A 1 63 ? 2.463 -2.300 6.640 1.00 94.44 63 A 1 ATOM 499 C CG1 . VAL A 1 63 ? 3.671 -1.629 7.303 1.00 88.44 63 A 1 ATOM 500 C CG2 . VAL A 1 63 ? 2.925 -3.009 5.365 1.00 88.71 63 A 1 ATOM 501 N N . THR A 1 64 ? -0.618 -3.014 7.120 1.00 95.63 64 A 1 ATOM 502 C CA . THR A 1 64 ? -1.854 -3.307 6.396 1.00 95.50 64 A 1 ATOM 503 C C . THR A 1 64 ? -1.818 -2.584 5.058 1.00 95.39 64 A 1 ATOM 504 O O . THR A 1 64 ? -1.693 -1.357 5.006 1.00 93.22 64 A 1 ATOM 505 C CB . THR A 1 64 ? -3.086 -2.916 7.213 1.00 94.29 64 A 1 ATOM 506 O OG1 . THR A 1 64 ? -2.990 -3.453 8.512 1.00 80.34 64 A 1 ATOM 507 C CG2 . THR A 1 64 ? -4.366 -3.468 6.601 1.00 79.64 64 A 1 ATOM 508 N N . ALA A 1 65 ? -1.903 -3.353 3.965 1.00 94.97 65 A 1 ATOM 509 C CA . ALA A 1 65 ? -1.879 -2.852 2.603 1.00 94.59 65 A 1 ATOM 510 C C . ALA A 1 65 ? -3.200 -3.144 1.886 1.00 94.35 65 A 1 ATOM 511 O O . ALA A 1 65 ? -3.795 -4.200 2.046 1.00 92.85 65 A 1 ATOM 512 C CB . ALA A 1 65 ? -0.672 -3.446 1.873 1.00 93.89 65 A 1 ATOM 513 N N . TYR A 1 66 ? -3.652 -2.191 1.059 1.00 94.33 66 A 1 ATOM 514 C CA . TYR A 1 66 ? -4.844 -2.332 0.235 1.00 93.81 66 A 1 ATOM 515 C C . TYR A 1 66 ? -4.549 -3.153 -1.020 1.00 93.40 66 A 1 ATOM 516 O O . TYR A 1 66 ? -3.544 -2.920 -1.694 1.00 91.64 66 A 1 ATOM 517 C CB . TYR A 1 66 ? -5.362 -0.941 -0.123 1.00 93.25 66 A 1 ATOM 518 C CG . TYR A 1 66 ? -6.553 -0.954 -1.053 1.00 92.88 66 A 1 ATOM 519 C CD1 . TYR A 1 66 ? -6.424 -0.504 -2.380 1.00 90.94 66 A 1 ATOM 520 C CD2 . TYR A 1 66 ? -7.791 -1.442 -0.601 1.00 90.92 66 A 1 ATOM 521 C CE1 . TYR A 1 66 ? -7.528 -0.533 -3.246 1.00 90.11 66 A 1 ATOM 522 C CE2 . TYR A 1 66 ? -8.899 -1.483 -1.469 1.00 90.42 66 A 1 ATOM 523 C CZ . TYR A 1 66 ? -8.763 -1.023 -2.791 1.00 90.80 66 A 1 ATOM 524 O OH . TYR A 1 66 ? -9.837 -1.060 -3.631 1.00 89.24 66 A 1 ATOM 525 N N . ILE A 1 67 ? -5.452 -4.070 -1.355 1.00 91.15 67 A 1 ATOM 526 C CA . ILE A 1 67 ? -5.404 -4.867 -2.581 1.00 90.23 67 A 1 ATOM 527 C C . ILE A 1 67 ? -6.302 -4.187 -3.620 1.00 89.19 67 A 1 ATOM 528 O O . ILE A 1 67 ? -7.519 -4.118 -3.420 1.00 86.27 67 A 1 ATOM 529 C CB . ILE A 1 67 ? -5.816 -6.327 -2.322 1.00 89.25 67 A 1 ATOM 530 C CG1 . ILE A 1 67 ? -4.941 -6.958 -1.214 1.00 86.51 67 A 1 ATOM 531 C CG2 . ILE A 1 67 ? -5.706 -7.123 -3.631 1.00 85.59 67 A 1 ATOM 532 C CD1 . ILE A 1 67 ? -5.428 -8.331 -0.754 1.00 82.40 67 A 1 ATOM 533 N N . PRO A 1 68 ? -5.739 -3.660 -4.731 1.00 87.37 68 A 1 ATOM 534 C CA . PRO A 1 68 ? -6.522 -2.956 -5.733 1.00 84.40 68 A 1 ATOM 535 C C . PRO A 1 68 ? -7.380 -3.925 -6.555 1.00 82.92 68 A 1 ATOM 536 O O . PRO A 1 68 ? -6.910 -4.985 -6.969 1.00 75.88 68 A 1 ATOM 537 C CB . PRO A 1 68 ? -5.486 -2.225 -6.590 1.00 81.53 68 A 1 ATOM 538 C CG . PRO A 1 68 ? -4.256 -3.121 -6.507 1.00 79.45 68 A 1 ATOM 539 C CD . PRO A 1 68 ? -4.332 -3.686 -5.091 1.00 83.49 68 A 1 ATOM 540 N N . GLY A 1 69 ? -8.609 -3.534 -6.871 1.00 75.47 69 A 1 ATOM 541 C CA . GLY A 1 69 ? -9.526 -4.291 -7.720 1.00 72.97 69 A 1 ATOM 542 C C . GLY A 1 69 ? -10.300 -5.392 -6.983 1.00 73.77 69 A 1 ATOM 543 O O . GLY A 1 69 ? -10.202 -5.562 -5.768 1.00 69.27 69 A 1 ATOM 544 N N . ILE A 1 70 ? -11.106 -6.129 -7.753 1.00 68.59 70 A 1 ATOM 545 C CA . ILE A 1 70 ? -12.001 -7.187 -7.278 1.00 67.02 70 A 1 ATOM 546 C C . ILE A 1 70 ? -11.484 -8.536 -7.788 1.00 67.26 70 A 1 ATOM 547 O O . ILE A 1 70 ? -11.078 -8.635 -8.943 1.00 60.80 70 A 1 ATOM 548 C CB . ILE A 1 70 ? -13.459 -6.913 -7.727 1.00 62.94 70 A 1 ATOM 549 C CG1 . ILE A 1 70 ? -13.944 -5.534 -7.219 1.00 57.54 70 A 1 ATOM 550 C CG2 . ILE A 1 70 ? -14.396 -8.031 -7.233 1.00 55.52 70 A 1 ATOM 551 C CD1 . ILE A 1 70 ? -15.306 -5.098 -7.790 1.00 51.44 70 A 1 ATOM 552 N N . GLY A 1 71 ? -11.508 -9.570 -6.959 1.00 68.26 71 A 1 ATOM 553 C CA . GLY A 1 71 ? -11.091 -10.924 -7.335 1.00 67.20 71 A 1 ATOM 554 C C . GLY A 1 71 ? -9.575 -11.067 -7.496 1.00 70.07 71 A 1 ATOM 555 O O . GLY A 1 71 ? -9.066 -11.029 -8.606 1.00 65.06 71 A 1 ATOM 556 N N . HIS A 1 72 ? -8.845 -11.198 -6.400 1.00 70.95 72 A 1 ATOM 557 C CA . HIS A 1 72 ? -7.413 -11.497 -6.401 1.00 71.14 72 A 1 ATOM 558 C C . HIS A 1 72 ? -7.167 -12.979 -6.095 1.00 73.06 72 A 1 ATOM 559 O O . HIS A 1 72 ? -7.978 -13.606 -5.421 1.00 67.99 72 A 1 ATOM 560 C CB . HIS A 1 72 ? -6.689 -10.594 -5.398 1.00 66.88 72 A 1 ATOM 561 C CG . HIS A 1 72 ? -7.032 -10.899 -3.961 1.00 62.39 72 A 1 ATOM 562 N ND1 . HIS A 1 72 ? -6.597 -11.976 -3.231 1.00 55.92 72 A 1 ATOM 563 C CD2 . HIS A 1 72 ? -7.884 -10.201 -3.158 1.00 53.44 72 A 1 ATOM 564 C CE1 . HIS A 1 72 ? -7.172 -11.926 -2.019 1.00 55.26 72 A 1 ATOM 565 N NE2 . HIS A 1 72 ? -7.967 -10.860 -1.924 1.00 54.96 72 A 1 ATOM 566 N N . ASN A 1 73 ? -6.007 -13.497 -6.519 1.00 74.92 73 A 1 ATOM 567 C CA . ASN A 1 73 ? -5.506 -14.832 -6.166 1.00 76.64 73 A 1 ATOM 568 C C . ASN A 1 73 ? -4.324 -14.754 -5.178 1.00 78.55 73 A 1 ATOM 569 O O . ASN A 1 73 ? -3.363 -15.508 -5.267 1.00 72.37 73 A 1 ATOM 570 C CB . ASN A 1 73 ? -5.177 -15.590 -7.464 1.00 70.88 73 A 1 ATOM 571 C CG . ASN A 1 73 ? -5.044 -17.082 -7.225 1.00 63.86 73 A 1 ATOM 572 O OD1 . ASN A 1 73 ? -5.539 -17.620 -6.254 1.00 55.63 73 A 1 ATOM 573 N ND2 . ASN A 1 73 ? -4.406 -17.800 -8.117 1.00 57.45 73 A 1 ATOM 574 N N . LEU A 1 74 ? -4.333 -13.773 -4.291 1.00 83.71 74 A 1 ATOM 575 C CA . LEU A 1 74 ? -3.258 -13.593 -3.319 1.00 84.87 74 A 1 ATOM 576 C C . LEU A 1 74 ? -3.438 -14.607 -2.186 1.00 85.32 74 A 1 ATOM 577 O O . LEU A 1 74 ? -4.430 -14.542 -1.459 1.00 82.75 74 A 1 ATOM 578 C CB . LEU A 1 74 ? -3.253 -12.142 -2.805 1.00 83.68 74 A 1 ATOM 579 C CG . LEU A 1 74 ? -1.910 -11.749 -2.164 1.00 81.83 74 A 1 ATOM 580 C CD1 . LEU A 1 74 ? -0.967 -11.159 -3.208 1.00 76.39 74 A 1 ATOM 581 C CD2 . LEU A 1 74 ? -2.106 -10.689 -1.084 1.00 76.75 74 A 1 ATOM 582 N N . GLN A 1 75 ? -2.471 -15.491 -2.037 1.00 85.24 75 A 1 ATOM 583 C CA . GLN A 1 75 ? -2.428 -16.482 -0.969 1.00 85.48 75 A 1 ATOM 584 C C . GLN A 1 75 ? -1.527 -16.016 0.180 1.00 86.62 75 A 1 ATOM 585 O O . GLN A 1 75 ? -0.732 -15.077 0.046 1.00 83.62 75 A 1 ATOM 586 C CB . GLN A 1 75 ? -1.981 -17.828 -1.552 1.00 81.64 75 A 1 ATOM 587 C CG . GLN A 1 75 ? -3.012 -18.394 -2.549 1.00 73.23 75 A 1 ATOM 588 C CD . GLN A 1 75 ? -2.598 -19.743 -3.136 1.00 70.59 75 A 1 ATOM 589 O OE1 . GLN A 1 75 ? -1.468 -20.181 -3.026 1.00 64.07 75 A 1 ATOM 590 N NE2 . GLN A 1 75 ? -3.491 -20.445 -3.796 1.00 60.24 75 A 1 ATOM 591 N N . GLU A 1 76 ? -1.664 -16.671 1.315 1.00 88.40 76 A 1 ATOM 592 C CA . GLU A 1 76 ? -0.702 -16.539 2.406 1.00 89.20 76 A 1 ATOM 593 C C . GLU A 1 76 ? 0.699 -16.952 1.926 1.00 89.39 76 A 1 ATOM 594 O O . GLU A 1 76 ? 0.850 -17.725 0.985 1.00 84.72 76 A 1 ATOM 595 C CB . GLU A 1 76 ? -1.161 -17.339 3.633 1.00 86.87 76 A 1 ATOM 596 C CG . GLU A 1 76 ? -2.540 -16.851 4.116 1.00 80.01 76 A 1 ATOM 597 C CD . GLU A 1 76 ? -3.008 -17.469 5.439 1.00 76.60 76 A 1 ATOM 598 O OE1 . GLU A 1 76 ? -4.037 -16.955 5.949 1.00 70.10 76 A 1 ATOM 599 O OE2 . GLU A 1 76 ? -2.348 -18.402 5.937 1.00 70.10 76 A 1 ATOM 600 N N . HIS A 1 77 ? 1.732 -16.365 2.521 1.00 90.81 77 A 1 ATOM 601 C CA . HIS A 1 77 ? 3.141 -16.525 2.132 1.00 91.36 77 A 1 ATOM 602 C C . HIS A 1 77 ? 3.521 -16.015 0.728 1.00 91.55 77 A 1 ATOM 603 O O . HIS A 1 77 ? 4.693 -16.070 0.349 1.00 88.09 77 A 1 ATOM 604 C CB . HIS A 1 77 ? 3.610 -17.959 2.399 1.00 90.45 77 A 1 ATOM 605 C CG . HIS A 1 77 ? 3.299 -18.408 3.803 1.00 89.70 77 A 1 ATOM 606 N ND1 . HIS A 1 77 ? 3.905 -17.944 4.946 1.00 79.53 77 A 1 ATOM 607 C CD2 . HIS A 1 77 ? 2.322 -19.277 4.185 1.00 79.86 77 A 1 ATOM 608 C CE1 . HIS A 1 77 ? 3.302 -18.533 6.000 1.00 81.92 77 A 1 ATOM 609 N NE2 . HIS A 1 77 ? 2.332 -19.348 5.585 1.00 84.35 77 A 1 ATOM 610 N N . SER A 1 78 ? 2.594 -15.418 -0.030 1.00 88.62 78 A 1 ATOM 611 C CA . SER A 1 78 ? 2.907 -14.799 -1.322 1.00 88.39 78 A 1 ATOM 612 C C . SER A 1 78 ? 3.853 -13.606 -1.158 1.00 89.52 78 A 1 ATOM 613 O O . SER A 1 78 ? 3.662 -12.746 -0.291 1.00 87.11 78 A 1 ATOM 614 C CB . SER A 1 78 ? 1.643 -14.346 -2.047 1.00 85.49 78 A 1 ATOM 615 O OG . SER A 1 78 ? 0.822 -15.449 -2.361 1.00 74.12 78 A 1 ATOM 616 N N . VAL A 1 79 ? 4.854 -13.498 -2.055 1.00 89.33 79 A 1 ATOM 617 C CA . VAL A 1 79 ? 5.762 -12.344 -2.108 1.00 88.88 79 A 1 ATOM 618 C C . VAL A 1 79 ? 5.084 -11.191 -2.842 1.00 88.44 79 A 1 ATOM 619 O O . VAL A 1 79 ? 4.697 -11.304 -4.004 1.00 85.78 79 A 1 ATOM 620 C CB . VAL A 1 79 ? 7.114 -12.696 -2.746 1.00 87.88 79 A 1 ATOM 621 C CG1 . VAL A 1 79 ? 8.059 -11.481 -2.737 1.00 82.28 79 A 1 ATOM 622 C CG2 . VAL A 1 79 ? 7.811 -13.829 -1.984 1.00 81.37 79 A 1 ATOM 623 N N . VAL A 1 80 ? 4.985 -10.042 -2.186 1.00 90.34 80 A 1 ATOM 624 C CA . VAL A 1 80 ? 4.331 -8.842 -2.709 1.00 90.32 80 A 1 ATOM 625 C C . VAL A 1 80 ? 5.258 -7.634 -2.672 1.00 90.76 80 A 1 ATOM 626 O O . VAL A 1 80 ? 6.158 -7.532 -1.841 1.00 89.71 80 A 1 ATOM 627 C CB . VAL A 1 80 ? 2.999 -8.555 -1.988 1.00 89.48 80 A 1 ATOM 628 C CG1 . VAL A 1 80 ? 1.982 -9.670 -2.234 1.00 84.90 80 A 1 ATOM 629 C CG2 . VAL A 1 80 ? 3.157 -8.362 -0.478 1.00 84.45 80 A 1 ATOM 630 N N . LEU A 1 81 ? 5.029 -6.679 -3.573 1.00 89.52 81 A 1 ATOM 631 C CA . LEU A 1 81 ? 5.674 -5.371 -3.552 1.00 89.17 81 A 1 ATOM 632 C C . LEU A 1 81 ? 4.684 -4.333 -3.029 1.00 89.64 81 A 1 ATOM 633 O O . LEU A 1 81 ? 3.608 -4.147 -3.594 1.00 88.19 81 A 1 ATOM 634 C CB . LEU A 1 81 ? 6.189 -5.037 -4.959 1.00 87.72 81 A 1 ATOM 635 C CG . LEU A 1 81 ? 7.062 -3.769 -5.018 1.00 83.11 81 A 1 ATOM 636 C CD1 . LEU A 1 81 ? 8.427 -3.980 -4.366 1.00 78.67 81 A 1 ATOM 637 C CD2 . LEU A 1 81 ? 7.300 -3.372 -6.472 1.00 78.41 81 A 1 ATOM 638 N N . VAL A 1 82 ? 5.067 -3.635 -1.979 1.00 91.49 82 A 1 ATOM 639 C CA . VAL A 1 82 ? 4.239 -2.635 -1.304 1.00 92.06 82 A 1 ATOM 640 C C . VAL A 1 82 ? 4.793 -1.240 -1.565 1.00 91.45 82 A 1 ATOM 641 O O . VAL A 1 82 ? 6.001 -1.014 -1.484 1.00 89.48 82 A 1 ATOM 642 C CB . VAL A 1 82 ? 4.151 -2.941 0.200 1.00 92.13 82 A 1 ATOM 643 C CG1 . VAL A 1 82 ? 3.251 -1.944 0.925 1.00 88.47 82 A 1 ATOM 644 C CG2 . VAL A 1 82 ? 3.589 -4.342 0.451 1.00 88.84 82 A 1 ATOM 645 N N . ARG A 1 83 ? 3.914 -0.273 -1.842 1.00 91.45 83 A 1 ATOM 646 C CA . ARG A 1 83 ? 4.235 1.158 -1.913 1.00 91.41 83 A 1 ATOM 647 C C . ARG A 1 83 ? 3.420 1.968 -0.910 1.00 92.04 83 A 1 ATOM 648 O O . ARG A 1 83 ? 2.377 1.523 -0.427 1.00 89.76 83 A 1 ATOM 649 C CB . ARG A 1 83 ? 4.065 1.692 -3.343 1.00 88.67 83 A 1 ATOM 650 C CG . ARG A 1 83 ? 2.598 1.818 -3.766 1.00 82.08 83 A 1 ATOM 651 C CD . ARG A 1 83 ? 2.481 2.596 -5.073 1.00 80.37 83 A 1 ATOM 652 N NE . ARG A 1 83 ? 1.074 2.930 -5.358 1.00 76.57 83 A 1 ATOM 653 C CZ . ARG A 1 83 ? 0.654 3.855 -6.202 1.00 74.77 83 A 1 ATOM 654 N NH1 . ARG A 1 83 ? 1.484 4.553 -6.932 1.00 67.22 83 A 1 ATOM 655 N NH2 . ARG A 1 83 ? -0.620 4.098 -6.319 1.00 66.35 83 A 1 ATOM 656 N N . GLY A 1 84 ? 3.861 3.197 -0.654 1.00 91.49 84 A 1 ATOM 657 C CA . GLY A 1 84 ? 3.076 4.163 0.103 1.00 91.21 84 A 1 ATOM 658 C C . GLY A 1 84 ? 1.838 4.637 -0.675 1.00 91.09 84 A 1 ATOM 659 O O . GLY A 1 84 ? 1.861 4.777 -1.892 1.00 87.31 84 A 1 ATOM 660 N N . GLY A 1 85 ? 0.765 4.914 0.048 1.00 90.42 85 A 1 ATOM 661 C CA . GLY A 1 85 ? -0.484 5.435 -0.491 1.00 90.84 85 A 1 ATOM 662 C C . GLY A 1 85 ? -1.634 5.204 0.486 1.00 92.08 85 A 1 ATOM 663 O O . GLY A 1 85 ? -2.038 4.074 0.726 1.00 88.77 85 A 1 ATOM 664 N N . ARG A 1 86 ? -2.152 6.282 1.061 1.00 90.45 86 A 1 ATOM 665 C CA . ARG A 1 86 ? -3.271 6.202 2.002 1.00 91.36 86 A 1 ATOM 666 C C . ARG A 1 86 ? -4.572 5.936 1.251 1.00 92.49 86 A 1 ATOM 667 O O . ARG A 1 86 ? -4.883 6.649 0.304 1.00 88.72 86 A 1 ATOM 668 C CB . ARG A 1 86 ? -3.338 7.494 2.833 1.00 89.34 86 A 1 ATOM 669 C CG . ARG A 1 86 ? -4.454 7.447 3.886 1.00 81.94 86 A 1 ATOM 670 C CD . ARG A 1 86 ? -4.488 8.735 4.707 1.00 81.87 86 A 1 ATOM 671 N NE . ARG A 1 86 ? -5.597 8.716 5.685 1.00 80.20 86 A 1 ATOM 672 C CZ . ARG A 1 86 ? -5.970 9.713 6.475 1.00 79.32 86 A 1 ATOM 673 N NH1 . ARG A 1 86 ? -5.356 10.866 6.478 1.00 69.94 86 A 1 ATOM 674 N NH2 . ARG A 1 86 ? -6.984 9.565 7.282 1.00 71.71 86 A 1 ATOM 675 N N . VAL A 1 87 ? -5.353 4.976 1.745 1.00 92.59 87 A 1 ATOM 676 C CA . VAL A 1 87 ? -6.745 4.775 1.329 1.00 92.62 87 A 1 ATOM 677 C C . VAL A 1 87 ? -7.630 5.620 2.242 1.00 93.01 87 A 1 ATOM 678 O O . VAL A 1 87 ? -7.545 5.503 3.462 1.00 89.57 87 A 1 ATOM 679 C CB . VAL A 1 87 ? -7.132 3.290 1.361 1.00 91.34 87 A 1 ATOM 680 C CG1 . VAL A 1 87 ? -8.549 3.094 0.825 1.00 84.51 87 A 1 ATOM 681 C CG2 . VAL A 1 87 ? -6.191 2.458 0.495 1.00 85.87 87 A 1 ATOM 682 N N . LYS A 1 88 ? -8.432 6.511 1.655 1.00 93.41 88 A 1 ATOM 683 C CA . LYS A 1 88 ? -9.265 7.448 2.433 1.00 92.66 88 A 1 ATOM 684 C C . LYS A 1 88 ? -10.371 6.736 3.217 1.00 92.42 88 A 1 ATOM 685 O O . LYS A 1 88 ? -10.652 7.116 4.347 1.00 85.69 88 A 1 ATOM 686 C CB . LYS A 1 88 ? -9.874 8.519 1.510 1.00 90.84 88 A 1 ATOM 687 C CG . LYS A 1 88 ? -8.845 9.504 0.925 1.00 83.89 88 A 1 ATOM 688 C CD . LYS A 1 88 ? -9.569 10.573 0.089 1.00 82.27 88 A 1 ATOM 689 C CE . LYS A 1 88 ? -8.613 11.611 -0.512 1.00 77.42 88 A 1 ATOM 690 N NZ . LYS A 1 88 ? -9.352 12.625 -1.320 1.00 70.71 88 A 1 ATOM 691 N N . ASP A 1 89 ? -10.929 5.695 2.600 1.00 92.44 89 A 1 ATOM 692 C CA . ASP A 1 89 ? -12.087 4.965 3.132 1.00 92.11 89 A 1 ATOM 693 C C . ASP A 1 89 ? -11.725 3.963 4.236 1.00 93.78 89 A 1 ATOM 694 O O . ASP A 1 89 ? -12.608 3.503 4.960 1.00 89.00 89 A 1 ATOM 695 C CB . ASP A 1 89 ? -12.776 4.222 1.980 1.00 87.42 89 A 1 ATOM 696 C CG . ASP A 1 89 ? -13.162 5.110 0.800 1.00 82.95 89 A 1 ATOM 697 O OD1 . ASP A 1 89 ? -13.251 6.353 0.971 1.00 72.36 89 A 1 ATOM 698 O OD2 . ASP A 1 89 ? -13.306 4.537 -0.295 1.00 79.04 89 A 1 ATOM 699 N N . LEU A 1 90 ? -10.455 3.602 4.362 1.00 94.16 90 A 1 ATOM 700 C CA . LEU A 1 90 ? -9.989 2.595 5.307 1.00 94.42 90 A 1 ATOM 701 C C . LEU A 1 90 ? -9.042 3.225 6.336 1.00 94.75 90 A 1 ATOM 702 O O . LEU A 1 90 ? -7.895 3.554 6.009 1.00 91.75 90 A 1 ATOM 703 C CB . LEU A 1 90 ? -9.323 1.441 4.546 1.00 93.80 90 A 1 ATOM 704 C CG . LEU A 1 90 ? -10.275 0.611 3.667 1.00 92.06 90 A 1 ATOM 705 C CD1 . LEU A 1 90 ? -9.455 -0.421 2.889 1.00 87.12 90 A 1 ATOM 706 C CD2 . LEU A 1 90 ? -11.336 -0.123 4.482 1.00 88.67 90 A 1 ATOM 707 N N . PRO A 1 91 ? -9.480 3.399 7.578 1.00 94.93 91 A 1 ATOM 708 C CA . PRO A 1 91 ? -8.609 3.887 8.634 1.00 94.28 91 A 1 ATOM 709 C C . PRO A 1 91 ? -7.441 2.912 8.871 1.00 94.14 91 A 1 ATOM 710 O O . PRO A 1 91 ? -7.591 1.698 8.833 1.00 89.17 91 A 1 ATOM 711 C CB . PRO A 1 91 ? -9.519 4.047 9.861 1.00 92.58 91 A 1 ATOM 712 C CG . PRO A 1 91 ? -10.638 3.032 9.619 1.00 89.47 91 A 1 ATOM 713 C CD . PRO A 1 91 ? -10.783 3.037 8.098 1.00 93.93 91 A 1 ATOM 714 N N . GLY A 1 92 ? -6.243 3.452 9.076 1.00 93.21 92 A 1 ATOM 715 C CA . GLY A 1 92 ? -5.033 2.653 9.328 1.00 92.82 92 A 1 ATOM 716 C C . GLY A 1 92 ? -4.353 2.070 8.081 1.00 93.72 92 A 1 ATOM 717 O O . GLY A 1 92 ? -3.170 1.725 8.149 1.00 90.98 92 A 1 ATOM 718 N N . VAL A 1 93 ? -5.010 2.042 6.912 1.00 94.58 93 A 1 ATOM 719 C CA . VAL A 1 93 ? -4.415 1.565 5.657 1.00 94.96 93 A 1 ATOM 720 C C . VAL A 1 93 ? -3.654 2.703 4.973 1.00 94.92 93 A 1 ATOM 721 O O . VAL A 1 93 ? -4.237 3.642 4.437 1.00 92.02 93 A 1 ATOM 722 C CB . VAL A 1 93 ? -5.468 0.924 4.739 1.00 94.30 93 A 1 ATOM 723 C CG1 . VAL A 1 93 ? -4.806 0.335 3.490 1.00 89.48 93 A 1 ATOM 724 C CG2 . VAL A 1 93 ? -6.204 -0.206 5.457 1.00 89.92 93 A 1 ATOM 725 N N . ARG A 1 94 ? -2.314 2.630 4.991 1.00 95.03 94 A 1 ATOM 726 C CA . ARG A 1 94 ? -1.400 3.643 4.427 1.00 94.62 94 A 1 ATOM 727 C C . ARG A 1 94 ? -0.536 3.127 3.273 1.00 94.77 94 A 1 ATOM 728 O O . ARG A 1 94 ? 0.353 3.837 2.811 1.00 91.19 94 A 1 ATOM 729 C CB . ARG A 1 94 ? -0.529 4.226 5.545 1.00 93.17 94 A 1 ATOM 730 C CG . ARG A 1 94 ? -1.351 5.013 6.578 1.00 89.71 94 A 1 ATOM 731 C CD . ARG A 1 94 ? -0.444 5.693 7.608 1.00 87.36 94 A 1 ATOM 732 N NE . ARG A 1 94 ? 0.211 4.710 8.495 1.00 83.24 94 A 1 ATOM 733 C CZ . ARG A 1 94 ? 1.109 4.984 9.436 1.00 79.72 94 A 1 ATOM 734 N NH1 . ARG A 1 94 ? 1.543 6.197 9.648 1.00 72.35 94 A 1 ATOM 735 N NH2 . ARG A 1 94 ? 1.586 4.030 10.193 1.00 72.69 94 A 1 ATOM 736 N N . TYR A 1 95 ? -0.783 1.903 2.822 1.00 94.28 95 A 1 ATOM 737 C CA . TYR A 1 95 ? 0.026 1.216 1.821 1.00 94.66 95 A 1 ATOM 738 C C . TYR A 1 95 ? -0.861 0.534 0.778 1.00 94.19 95 A 1 ATOM 739 O O . TYR A 1 95 ? -2.008 0.179 1.052 1.00 92.02 95 A 1 ATOM 740 C CB . TYR A 1 95 ? 0.952 0.207 2.513 1.00 94.67 95 A 1 ATOM 741 C CG . TYR A 1 95 ? 1.810 0.821 3.604 1.00 95.46 95 A 1 ATOM 742 C CD1 . TYR A 1 95 ? 2.999 1.502 3.281 1.00 92.53 95 A 1 ATOM 743 C CD2 . TYR A 1 95 ? 1.394 0.751 4.950 1.00 92.75 95 A 1 ATOM 744 C CE1 . TYR A 1 95 ? 3.757 2.124 4.286 1.00 92.46 95 A 1 ATOM 745 C CE2 . TYR A 1 95 ? 2.148 1.378 5.960 1.00 92.26 95 A 1 ATOM 746 C CZ . TYR A 1 95 ? 3.326 2.067 5.627 1.00 93.93 95 A 1 ATOM 747 O OH . TYR A 1 95 ? 4.042 2.695 6.606 1.00 92.31 95 A 1 ATOM 748 N N . HIS A 1 96 ? -0.317 0.354 -0.424 1.00 93.36 96 A 1 ATOM 749 C CA . HIS A 1 96 ? -0.938 -0.390 -1.514 1.00 92.25 96 A 1 ATOM 750 C C . HIS A 1 96 ? -0.009 -1.516 -1.955 1.00 92.28 96 A 1 ATOM 751 O O . HIS A 1 96 ? 1.205 -1.319 -2.031 1.00 90.07 96 A 1 ATOM 752 C CB . HIS A 1 96 ? -1.215 0.536 -2.701 1.00 90.86 96 A 1 ATOM 753 C CG . HIS A 1 96 ? -2.337 1.510 -2.479 1.00 89.66 96 A 1 ATOM 754 N ND1 . HIS A 1 96 ? -3.596 1.429 -3.040 1.00 80.44 96 A 1 ATOM 755 C CD2 . HIS A 1 96 ? -2.290 2.662 -1.752 1.00 79.56 96 A 1 ATOM 756 C CE1 . HIS A 1 96 ? -4.281 2.519 -2.657 1.00 81.44 96 A 1 ATOM 757 N NE2 . HIS A 1 96 ? -3.531 3.295 -1.873 1.00 83.61 96 A 1 ATOM 758 N N . ILE A 1 97 ? -0.598 -2.647 -2.328 1.00 90.89 97 A 1 ATOM 759 C CA . ILE A 1 97 ? 0.101 -3.714 -3.039 1.00 90.19 97 A 1 ATOM 760 C C . ILE A 1 97 ? 0.192 -3.320 -4.516 1.00 88.98 97 A 1 ATOM 761 O O . ILE A 1 97 ? -0.801 -2.927 -5.127 1.00 85.77 97 A 1 ATOM 762 C CB . ILE A 1 97 ? -0.584 -5.074 -2.799 1.00 89.42 97 A 1 ATOM 763 C CG1 . ILE A 1 97 ? -0.546 -5.404 -1.286 1.00 86.23 97 A 1 ATOM 764 C CG2 . ILE A 1 97 ? 0.103 -6.172 -3.618 1.00 85.42 97 A 1 ATOM 765 C CD1 . ILE A 1 97 ? -1.274 -6.686 -0.891 1.00 80.75 97 A 1 ATOM 766 N N . ILE A 1 98 ? 1.398 -3.395 -5.082 1.00 87.47 98 A 1 ATOM 767 C CA . ILE A 1 98 ? 1.658 -3.128 -6.501 1.00 85.05 98 A 1 ATOM 768 C C . ILE A 1 98 ? 1.814 -4.440 -7.265 1.00 83.72 98 A 1 ATOM 769 O O . ILE A 1 98 ? 1.209 -4.630 -8.313 1.00 76.94 98 A 1 ATOM 770 C CB . ILE A 1 98 ? 2.926 -2.279 -6.713 1.00 81.49 98 A 1 ATOM 771 C CG1 . ILE A 1 98 ? 2.985 -1.032 -5.820 1.00 73.90 98 A 1 ATOM 772 C CG2 . ILE A 1 98 ? 3.035 -1.858 -8.190 1.00 70.92 98 A 1 ATOM 773 C CD1 . ILE A 1 98 ? 4.313 -0.288 -6.006 1.00 68.05 98 A 1 ATOM 774 N N . ARG A 1 99 ? 2.666 -5.328 -6.772 1.00 78.80 99 A 1 ATOM 775 C CA . ARG A 1 99 ? 2.971 -6.633 -7.370 1.00 75.98 99 A 1 ATOM 776 C C . ARG A 1 99 ? 2.603 -7.743 -6.395 1.00 75.53 99 A 1 ATOM 777 O O . ARG A 1 99 ? 2.678 -7.538 -5.192 1.00 69.01 99 A 1 ATOM 778 C CB . ARG A 1 99 ? 4.453 -6.727 -7.763 1.00 70.82 99 A 1 ATOM 779 C CG . ARG A 1 99 ? 4.837 -5.774 -8.906 1.00 63.60 99 A 1 ATOM 780 C CD . ARG A 1 99 ? 6.282 -6.031 -9.332 1.00 62.43 99 A 1 ATOM 781 N NE . ARG A 1 99 ? 6.709 -5.128 -10.417 1.00 57.39 99 A 1 ATOM 782 C CZ . ARG A 1 99 ? 7.910 -5.091 -10.978 1.00 55.85 99 A 1 ATOM 783 N NH1 . ARG A 1 99 ? 8.875 -5.886 -10.599 1.00 49.22 99 A 1 ATOM 784 N NH2 . ARG A 1 99 ? 8.161 -4.245 -11.937 1.00 48.84 99 A 1 ATOM 785 N N . GLY A 1 100 ? 2.196 -8.879 -6.963 1.00 75.63 100 A 1 ATOM 786 C CA . GLY A 1 100 ? 1.623 -10.004 -6.218 1.00 72.04 100 A 1 ATOM 787 C C . GLY A 1 100 ? 0.093 -10.076 -6.304 1.00 75.53 100 A 1 ATOM 788 O O . GLY A 1 100 ? -0.484 -11.090 -5.947 1.00 70.44 100 A 1 ATOM 789 N N . ALA A 1 101 ? -0.561 -9.030 -6.845 1.00 71.97 101 A 1 ATOM 790 C CA . ALA A 1 101 ? -2.003 -8.989 -7.104 1.00 69.62 101 A 1 ATOM 791 C C . ALA A 1 101 ? -2.323 -8.848 -8.607 1.00 74.28 101 A 1 ATOM 792 O O . ALA A 1 101 ? -3.311 -8.223 -8.984 1.00 68.43 101 A 1 ATOM 793 C CB . ALA A 1 101 ? -2.627 -7.884 -6.242 1.00 63.38 101 A 1 ATOM 794 N N . LEU A 1 102 ? -1.455 -9.377 -9.494 1.00 68.52 102 A 1 ATOM 795 C CA . LEU A 1 102 ? -1.620 -9.267 -10.955 1.00 68.76 102 A 1 ATOM 796 C C . LEU A 1 102 ? -2.840 -10.035 -11.480 1.00 71.85 102 A 1 ATOM 797 O O . LEU A 1 102 ? -3.401 -9.654 -12.503 1.00 68.20 102 A 1 ATOM 798 C CB . LEU A 1 102 ? -0.346 -9.760 -11.659 1.00 65.26 102 A 1 ATOM 799 C CG . LEU A 1 102 ? 0.881 -8.848 -11.476 1.00 60.03 102 A 1 ATOM 800 C CD1 . LEU A 1 102 ? 2.114 -9.523 -12.075 1.00 56.59 102 A 1 ATOM 801 C CD2 . LEU A 1 102 ? 0.704 -7.490 -12.156 1.00 55.25 102 A 1 ATOM 802 N N . ASP A 1 103 ? -3.268 -11.067 -10.756 1.00 69.54 103 A 1 ATOM 803 C CA . ASP A 1 103 ? -4.451 -11.868 -11.101 1.00 68.59 103 A 1 ATOM 804 C C . ASP A 1 103 ? -5.771 -11.163 -10.760 1.00 72.27 103 A 1 ATOM 805 O O . ASP A 1 103 ? -6.852 -11.622 -11.113 1.00 67.04 103 A 1 ATOM 806 C CB . ASP A 1 103 ? -4.359 -13.226 -10.395 1.00 62.03 103 A 1 ATOM 807 C CG . ASP A 1 103 ? -3.023 -13.903 -10.688 1.00 56.95 103 A 1 ATOM 808 O OD1 . ASP A 1 103 ? -2.653 -13.957 -11.884 1.00 53.00 103 A 1 ATOM 809 O OD2 . ASP A 1 103 ? -2.347 -14.244 -9.697 1.00 51.29 103 A 1 ATOM 810 N N . THR A 1 104 ? -5.693 -10.026 -10.099 1.00 71.22 104 A 1 ATOM 811 C CA . THR A 1 104 ? -6.868 -9.219 -9.780 1.00 72.43 104 A 1 ATOM 812 C C . THR A 1 104 ? -7.461 -8.629 -11.060 1.00 76.12 104 A 1 ATOM 813 O O . THR A 1 104 ? -6.763 -7.949 -11.812 1.00 72.74 104 A 1 ATOM 814 C CB . THR A 1 104 ? -6.516 -8.107 -8.787 1.00 68.51 104 A 1 ATOM 815 O OG1 . THR A 1 104 ? -5.838 -8.625 -7.662 1.00 61.69 104 A 1 ATOM 816 C CG2 . THR A 1 104 ? -7.749 -7.418 -8.251 1.00 62.98 104 A 1 ATOM 817 N N . ALA A 1 105 ? -8.760 -8.815 -11.288 1.00 76.21 105 A 1 ATOM 818 C CA . ALA A 1 105 ? -9.444 -8.407 -12.520 1.00 76.93 105 A 1 ATOM 819 C C . ALA A 1 105 ? -9.219 -6.932 -12.898 1.00 78.63 105 A 1 ATOM 820 O O . ALA A 1 105 ? -8.977 -6.608 -14.059 1.00 74.18 105 A 1 ATOM 821 C CB . ALA A 1 105 ? -10.939 -8.707 -12.349 1.00 76.22 105 A 1 ATOM 822 N N . GLY A 1 106 ? -9.210 -6.027 -11.915 1.00 76.77 106 A 1 ATOM 823 C CA . GLY A 1 106 ? -8.971 -4.595 -12.142 1.00 76.80 106 A 1 ATOM 824 C C . GLY A 1 106 ? -7.512 -4.196 -12.424 1.00 80.46 106 A 1 ATOM 825 O O . GLY A 1 106 ? -7.241 -3.013 -12.634 1.00 77.81 106 A 1 ATOM 826 N N . VAL A 1 107 ? -6.564 -5.149 -12.393 1.00 78.00 107 A 1 ATOM 827 C CA . VAL A 1 107 ? -5.121 -4.910 -12.548 1.00 79.46 107 A 1 ATOM 828 C C . VAL A 1 107 ? -4.562 -5.562 -13.812 1.00 81.06 107 A 1 ATOM 829 O O . VAL A 1 107 ? -3.814 -4.908 -14.538 1.00 79.56 107 A 1 ATOM 830 C CB . VAL A 1 107 ? -4.358 -5.378 -11.297 1.00 77.46 107 A 1 ATOM 831 C CG1 . VAL A 1 107 ? -2.840 -5.170 -11.425 1.00 69.74 107 A 1 ATOM 832 C CG2 . VAL A 1 107 ? -4.810 -4.608 -10.054 1.00 70.20 107 A 1 ATOM 833 N N . LYS A 1 108 ? -4.925 -6.800 -14.102 1.00 81.29 108 A 1 ATOM 834 C CA . LYS A 1 108 ? -4.334 -7.637 -15.161 1.00 80.47 108 A 1 ATOM 835 C C . LYS A 1 108 ? -4.371 -6.988 -16.552 1.00 80.58 108 A 1 ATOM 836 O O . LYS A 1 108 ? -3.344 -6.921 -17.216 1.00 77.23 108 A 1 ATOM 837 C CB . LYS A 1 108 ? -5.032 -9.011 -15.124 1.00 78.79 108 A 1 ATOM 838 C CG . LYS A 1 108 ? -4.323 -10.076 -15.969 1.00 72.07 108 A 1 ATOM 839 C CD . LYS A 1 108 ? -4.967 -11.461 -15.742 1.00 70.44 108 A 1 ATOM 840 C CE . LYS A 1 108 ? -4.234 -12.550 -16.539 1.00 65.42 108 A 1 ATOM 841 N NZ . LYS A 1 108 ? -4.769 -13.911 -16.240 1.00 58.97 108 A 1 ATOM 842 N N . ASN A 1 109 ? -5.503 -6.427 -16.955 1.00 82.26 109 A 1 ATOM 843 C CA . ASN A 1 109 ? -5.731 -5.881 -18.305 1.00 83.00 109 A 1 ATOM 844 C C . ASN A 1 109 ? -5.696 -4.342 -18.361 1.00 84.65 109 A 1 ATOM 845 O O . ASN A 1 109 ? -6.358 -3.715 -19.185 1.00 82.65 109 A 1 ATOM 846 C CB . ASN A 1 109 ? -7.032 -6.482 -18.870 1.00 81.38 109 A 1 ATOM 847 C CG . ASN A 1 109 ? -6.971 -7.996 -19.013 1.00 76.86 109 A 1 ATOM 848 O OD1 . ASN A 1 109 ? -5.922 -8.600 -19.091 1.00 70.47 109 A 1 ATOM 849 N ND2 . ASN A 1 109 ? -8.106 -8.660 -19.026 1.00 70.64 109 A 1 ATOM 850 N N . ARG A 1 110 ? -4.959 -3.677 -17.461 1.00 82.09 110 A 1 ATOM 851 C CA . ARG A 1 110 ? -4.913 -2.212 -17.449 1.00 83.79 110 A 1 ATOM 852 C C . ARG A 1 110 ? -4.071 -1.642 -18.585 1.00 85.37 110 A 1 ATOM 853 O O . ARG A 1 110 ? -2.881 -1.908 -18.686 1.00 84.36 110 A 1 ATOM 854 C CB . ARG A 1 110 ? -4.413 -1.676 -16.112 1.00 82.55 110 A 1 ATOM 855 C CG . ARG A 1 110 ? -5.492 -1.741 -15.037 1.00 76.18 110 A 1 ATOM 856 C CD . ARG A 1 110 ? -5.018 -1.060 -13.750 1.00 76.48 110 A 1 ATOM 857 N NE . ARG A 1 110 ? -5.039 0.413 -13.872 1.00 75.40 110 A 1 ATOM 858 C CZ . ARG A 1 110 ? -6.018 1.215 -13.501 1.00 75.47 110 A 1 ATOM 859 N NH1 . ARG A 1 110 ? -7.104 0.766 -12.934 1.00 67.89 110 A 1 ATOM 860 N NH2 . ARG A 1 110 ? -5.927 2.493 -13.691 1.00 70.42 110 A 1 ATOM 861 N N . VAL A 1 111 ? -4.656 -0.704 -19.334 1.00 87.57 111 A 1 ATOM 862 C CA . VAL A 1 111 ? -3.976 0.103 -20.364 1.00 88.06 111 A 1 ATOM 863 C C . VAL A 1 111 ? -3.436 1.414 -19.776 1.00 88.75 111 A 1 ATOM 864 O O . VAL A 1 111 ? -2.340 1.866 -20.110 1.00 86.71 111 A 1 ATOM 865 C CB . VAL A 1 111 ? -4.929 0.367 -21.550 1.00 88.08 111 A 1 ATOM 866 C CG1 . VAL A 1 111 ? -4.198 1.061 -22.704 1.00 80.74 111 A 1 ATOM 867 C CG2 . VAL A 1 111 ? -5.541 -0.933 -22.086 1.00 80.23 111 A 1 ATOM 868 N N . ARG A 1 112 ? -4.166 2.031 -18.846 1.00 86.85 112 A 1 ATOM 869 C CA . ARG A 1 112 ? -3.804 3.303 -18.200 1.00 86.53 112 A 1 ATOM 870 C C . ARG A 1 112 ? -3.211 3.089 -16.806 1.00 86.28 112 A 1 ATOM 871 O O . ARG A 1 112 ? -3.642 2.204 -16.070 1.00 83.34 112 A 1 ATOM 872 C CB . ARG A 1 112 ? -5.024 4.248 -18.148 1.00 86.44 112 A 1 ATOM 873 C CG . ARG A 1 112 ? -5.516 4.668 -19.548 1.00 82.06 112 A 1 ATOM 874 C CD . ARG A 1 112 ? -6.686 5.657 -19.442 1.00 80.57 112 A 1 ATOM 875 N NE . ARG A 1 112 ? -7.193 6.068 -20.769 1.00 75.26 112 A 1 ATOM 876 C CZ . ARG A 1 112 ? -8.228 6.868 -21.013 1.00 71.29 112 A 1 ATOM 877 N NH1 . ARG A 1 112 ? -8.940 7.397 -20.056 1.00 67.20 112 A 1 ATOM 878 N NH2 . ARG A 1 112 ? -8.569 7.149 -22.244 1.00 64.68 112 A 1 ATOM 879 N N . SER A 1 113 ? -2.275 3.947 -16.428 1.00 81.47 113 A 1 ATOM 880 C CA . SER A 1 113 ? -1.646 3.966 -15.093 1.00 81.29 113 A 1 ATOM 881 C C . SER A 1 113 ? -0.999 2.640 -14.666 1.00 82.11 113 A 1 ATOM 882 O O . SER A 1 113 ? -0.983 2.310 -13.480 1.00 79.11 113 A 1 ATOM 883 C CB . SER A 1 113 ? -2.636 4.473 -14.033 1.00 79.19 113 A 1 ATOM 884 O OG . SER A 1 113 ? -3.051 5.792 -14.313 1.00 72.12 113 A 1 ATOM 885 N N . ARG A 1 114 ? -0.431 1.877 -15.629 1.00 81.09 114 A 1 ATOM 886 C CA . ARG A 1 114 ? 0.136 0.540 -15.388 1.00 81.79 114 A 1 ATOM 887 C C . ARG A 1 114 ? 1.243 0.535 -14.331 1.00 81.22 114 A 1 ATOM 888 O O . ARG A 1 114 ? 1.254 -0.337 -13.467 1.00 79.09 114 A 1 ATOM 889 C CB . ARG A 1 114 ? 0.672 -0.039 -16.700 1.00 82.32 114 A 1 ATOM 890 C CG . ARG A 1 114 ? -0.435 -0.298 -17.730 1.00 79.12 114 A 1 ATOM 891 C CD . ARG A 1 114 ? 0.127 -0.922 -19.012 1.00 80.20 114 A 1 ATOM 892 N NE . ARG A 1 114 ? 1.087 0.001 -19.655 1.00 79.58 114 A 1 ATOM 893 C CZ . ARG A 1 114 ? 1.404 0.016 -20.933 1.00 80.41 114 A 1 ATOM 894 N NH1 . ARG A 1 114 ? 0.922 -0.848 -21.779 1.00 73.23 114 A 1 ATOM 895 N NH2 . ARG A 1 114 ? 2.229 0.917 -21.389 1.00 76.26 114 A 1 ATOM 896 N N . SER A 1 115 ? 2.122 1.540 -14.352 1.00 78.30 115 A 1 ATOM 897 C CA . SER A 1 115 ? 3.226 1.664 -13.388 1.00 77.34 115 A 1 ATOM 898 C C . SER A 1 115 ? 2.758 1.711 -11.928 1.00 77.05 115 A 1 ATOM 899 O O . SER A 1 115 ? 3.442 1.203 -11.043 1.00 74.97 115 A 1 ATOM 900 C CB . SER A 1 115 ? 4.044 2.921 -13.707 1.00 76.24 115 A 1 ATOM 901 O OG . SER A 1 115 ? 3.203 4.069 -13.690 1.00 68.14 115 A 1 ATOM 902 N N . LYS A 1 116 ? 1.559 2.241 -11.678 1.00 75.51 116 A 1 ATOM 903 C CA . LYS A 1 116 ? 0.978 2.291 -10.326 1.00 74.29 116 A 1 ATOM 904 C C . LYS A 1 116 ? 0.611 0.910 -9.770 1.00 74.34 116 A 1 ATOM 905 O O . LYS A 1 116 ? 0.514 0.779 -8.556 1.00 72.31 116 A 1 ATOM 906 C CB . LYS A 1 116 ? -0.265 3.197 -10.299 1.00 72.89 116 A 1 ATOM 907 C CG . LYS A 1 116 ? 0.066 4.680 -10.545 1.00 68.04 116 A 1 ATOM 908 C CD . LYS A 1 116 ? -1.193 5.555 -10.394 1.00 67.48 116 A 1 ATOM 909 C CE . LYS A 1 116 ? -0.845 7.031 -10.637 1.00 63.44 116 A 1 ATOM 910 N NZ . LYS A 1 116 ? -2.043 7.917 -10.583 1.00 60.57 116 A 1 ATOM 911 N N . TYR A 1 117 ? 0.398 -0.070 -10.654 1.00 75.48 117 A 1 ATOM 912 C CA . TYR A 1 117 ? -0.040 -1.421 -10.296 1.00 74.82 117 A 1 ATOM 913 C C . TYR A 1 117 ? 0.991 -2.502 -10.668 1.00 75.00 117 A 1 ATOM 914 O O . TYR A 1 117 ? 0.759 -3.683 -10.439 1.00 72.63 117 A 1 ATOM 915 C CB . TYR A 1 117 ? -1.410 -1.678 -10.933 1.00 74.83 117 A 1 ATOM 916 C CG . TYR A 1 117 ? -2.490 -0.714 -10.470 1.00 73.86 117 A 1 ATOM 917 C CD1 . TYR A 1 117 ? -3.171 -0.942 -9.259 1.00 70.35 117 A 1 ATOM 918 C CD2 . TYR A 1 117 ? -2.802 0.425 -11.235 1.00 69.60 117 A 1 ATOM 919 C CE1 . TYR A 1 117 ? -4.162 -0.048 -8.823 1.00 69.33 117 A 1 ATOM 920 C CE2 . TYR A 1 117 ? -3.791 1.328 -10.802 1.00 68.75 117 A 1 ATOM 921 C CZ . TYR A 1 117 ? -4.477 1.087 -9.597 1.00 72.04 117 A 1 ATOM 922 O OH . TYR A 1 117 ? -5.451 1.954 -9.182 1.00 70.41 117 A 1 ATOM 923 N N . GLY A 1 118 ? 2.141 -2.103 -11.229 1.00 76.41 118 A 1 ATOM 924 C CA . GLY A 1 118 ? 3.203 -3.035 -11.622 1.00 75.36 118 A 1 ATOM 925 C C . GLY A 1 118 ? 2.891 -3.879 -12.863 1.00 77.29 118 A 1 ATOM 926 O O . GLY A 1 118 ? 3.572 -4.880 -13.089 1.00 75.61 118 A 1 ATOM 927 N N . VAL A 1 119 ? 1.910 -3.476 -13.672 1.00 78.21 119 A 1 ATOM 928 C CA . VAL A 1 119 ? 1.570 -4.142 -14.939 1.00 81.43 119 A 1 ATOM 929 C C . VAL A 1 119 ? 2.615 -3.783 -15.998 1.00 83.20 119 A 1 ATOM 930 O O . VAL A 1 119 ? 2.905 -2.603 -16.216 1.00 82.39 119 A 1 ATOM 931 C CB . VAL A 1 119 ? 0.148 -3.774 -15.399 1.00 80.66 119 A 1 ATOM 932 C CG1 . VAL A 1 119 ? -0.251 -4.494 -16.694 1.00 75.20 119 A 1 ATOM 933 C CG2 . VAL A 1 119 ? -0.888 -4.152 -14.331 1.00 75.05 119 A 1 ATOM 934 N N . LYS A 1 120 ? 3.184 -4.787 -16.669 1.00 81.64 120 A 1 ATOM 935 C CA . LYS A 1 120 ? 4.139 -4.591 -17.771 1.00 82.08 120 A 1 ATOM 936 C C . LYS A 1 120 ? 3.450 -3.926 -18.974 1.00 83.12 120 A 1 ATOM 937 O O . LYS A 1 120 ? 2.232 -3.994 -19.121 1.00 81.06 120 A 1 ATOM 938 C CB . LYS A 1 120 ? 4.820 -5.921 -18.152 1.00 80.22 120 A 1 ATOM 939 C CG . LYS A 1 120 ? 5.783 -6.437 -17.062 1.00 72.83 120 A 1 ATOM 940 C CD . LYS A 1 120 ? 6.515 -7.710 -17.533 1.00 72.06 120 A 1 ATOM 941 C CE . LYS A 1 120 ? 7.503 -8.230 -16.479 1.00 66.17 120 A 1 ATOM 942 N NZ . LYS A 1 120 ? 8.221 -9.452 -16.955 1.00 60.57 120 A 1 ATOM 943 N N . LYS A 1 121 ? 4.239 -3.231 -19.808 1.00 84.30 121 A 1 ATOM 944 C CA . LYS A 1 121 ? 3.790 -2.769 -21.131 1.00 84.35 121 A 1 ATOM 945 C C . LYS A 1 121 ? 3.649 -4.017 -22.009 1.00 83.10 121 A 1 ATOM 946 O O . LYS A 1 121 ? 4.558 -4.841 -21.980 1.00 78.17 121 A 1 ATOM 947 C CB . LYS A 1 121 ? 4.777 -1.723 -21.696 1.00 83.66 121 A 1 ATOM 948 C CG . LYS A 1 121 ? 4.215 -0.976 -22.920 1.00 79.49 121 A 1 ATOM 949 C CD . LYS A 1 121 ? 5.145 0.147 -23.408 1.00 79.64 121 A 1 ATOM 950 C CE . LYS A 1 121 ? 4.538 0.827 -24.652 1.00 75.48 121 A 1 ATOM 951 N NZ . LYS A 1 121 ? 5.461 1.834 -25.265 1.00 70.43 121 A 1 ATOM 952 N N . ALA A 1 122 ? 2.509 -4.167 -22.657 1.00 84.90 122 A 1 ATOM 953 C CA . ALA A 1 122 ? 2.332 -5.126 -23.739 1.00 82.39 122 A 1 ATOM 954 C C . ALA A 1 122 ? 3.145 -4.668 -24.946 1.00 78.41 122 A 1 ATOM 955 O O . ALA A 1 122 ? 3.243 -3.429 -25.153 1.00 70.27 122 A 1 ATOM 956 C CB . ALA A 1 122 ? 0.838 -5.280 -24.042 1.00 77.90 122 A 1 ATOM 957 O OXT . ALA A 1 122 ? 3.654 -5.584 -25.638 1.00 68.03 122 A 1 #