# 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_acrif16 # _entry.id acrif16 # 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 SER 2 1 n LEU 3 1 n SER 4 1 n ASP 5 1 n LYS 6 1 n LYS 7 1 n GLU 8 1 n GLN 9 1 n LYS 10 1 n GLU 11 1 n ALA 12 1 n TYR 13 1 n LEU 14 1 n ASP 15 1 n ALA 16 1 n LEU 17 1 n ARG 18 1 n ILE 19 1 n ALA 20 1 n PRO 21 1 n LEU 22 1 n ASP 23 1 n ARG 24 1 n GLY 25 1 n VAL 26 1 n LEU 27 1 n LYS 28 1 n ARG 29 1 n ILE 30 1 n HIS 31 1 n ALA 32 1 n VAL 33 1 n ASN 34 1 n ASP 35 1 n ASN 36 1 n THR 37 1 n LEU 38 1 n ASP 39 1 n LYS 40 1 n TRP 41 1 n LEU 42 1 n TYR 43 1 n VAL 44 1 n ALA 45 1 n ASP 46 1 n ARG 47 1 n TYR 48 1 n PRO 49 1 n THR 50 1 n PHE 51 1 n ARG 52 1 n ALA 53 1 n CYS 54 1 n TRP 55 1 n GLU 56 1 n LEU 57 1 n TRP 58 1 n MET 59 1 n PHE 60 1 n GLN 61 1 n ARG 62 1 n LYS 63 1 n ARG 64 1 n ARG 65 1 n VAL 66 1 n LEU 67 1 n ILE 68 1 n SER 69 1 n ARG 70 1 n LYS 71 1 n LEU 72 1 n HIS 73 1 n VAL 74 1 n LEU 75 1 n ILE 76 1 n ASN 77 1 n ARG 78 1 n SER 79 1 n THR 80 1 n ASN 81 1 n ARG 82 1 n THR 83 1 n ILE 84 1 n GLU 85 1 n ALA 86 1 n PHE 87 1 n GLU 88 1 n LYS 89 1 n THR 90 1 n TYR 91 1 n PRO 92 1 n PRO 93 1 n GLU 94 1 n GLU 95 1 n ARG 96 1 n VAL 97 1 n VAL 98 1 n GLY 99 1 n LYS 100 1 n SER 101 1 n TYR 102 1 n ARG 103 1 n ASP 104 1 n LEU 105 1 n VAL 106 1 n THR 107 1 n GLU 108 1 n LYS 109 1 n GLY 110 1 n GLU 111 1 n ARG 112 1 n SER 113 1 n ALA 114 1 n ASN 115 1 n MET 116 1 n TYR 117 1 n ILE 118 1 n ILE 119 1 n ASN 120 1 n GLY 121 1 n GLU 122 1 n VAL 123 1 n VAL 124 1 n GLY 125 1 n ALA 126 1 n LYS 127 1 n ASP 128 1 n ALA 129 1 n SER 130 1 n ILE 131 1 n LEU 132 1 n LEU 133 1 n GLY 134 1 n TYR 135 1 n SER 136 1 n SER 137 1 n TYR 138 1 n ASN 139 1 n THR 140 1 n LEU 141 1 n TYR 142 1 n ALA 143 1 n LYS 144 1 n MET 145 1 n LYS 146 1 n ARG 147 1 n LEU 148 1 n GLY 149 1 n ILE 150 1 n GLN 151 1 n PRO 152 1 n GLY 153 1 n ASP 154 1 n ASP 155 1 n ILE 156 1 n SER 157 1 n HIS 158 1 n LEU 159 1 n LYS 160 1 n PRO 161 1 n GLU 162 1 n LYS 163 1 n ARG 164 1 n GLY 165 1 n ARG 166 1 n LYS 167 1 n LYS 168 1 n GLU 169 1 n CYS 170 1 n SER 171 # _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 81.09 _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 76.58 1 1 A SER 2 2 90.43 1 2 A LEU 3 2 90.61 1 3 A SER 4 2 93.19 1 4 A ASP 5 2 92.18 1 5 A LYS 6 2 92.47 1 6 A LYS 7 2 91.82 1 7 A GLU 8 2 90.91 1 8 A GLN 9 2 94.04 1 9 A LYS 10 2 96.19 1 10 A GLU 11 2 88.58 1 11 A ALA 12 2 97.34 1 12 A TYR 13 2 97.12 1 13 A LEU 14 2 96.04 1 14 A ASP 15 2 93.80 1 15 A ALA 16 2 96.75 1 16 A LEU 17 2 96.57 1 17 A ARG 18 2 82.29 1 18 A ILE 19 2 93.45 1 19 A ALA 20 2 95.52 1 20 A PRO 21 2 96.34 1 21 A LEU 22 2 94.87 1 22 A ASP 23 2 90.84 1 23 A ARG 24 2 90.06 1 24 A GLY 25 2 97.50 1 25 A VAL 26 2 96.95 1 26 A LEU 27 2 97.26 1 27 A LYS 28 2 94.43 1 28 A ARG 29 2 85.42 1 29 A ILE 30 2 92.98 1 30 A HIS 31 2 96.36 1 31 A ALA 32 2 96.88 1 32 A VAL 33 2 96.21 1 33 A ASN 34 2 94.20 1 34 A ASP 35 2 94.86 1 35 A ASN 36 2 91.88 1 36 A THR 37 2 96.59 1 37 A LEU 38 2 96.51 1 38 A ASP 39 2 95.49 1 39 A LYS 40 2 93.65 1 40 A TRP 41 2 96.99 1 41 A LEU 42 2 96.61 1 42 A TYR 43 2 94.79 1 43 A VAL 44 2 96.19 1 44 A ALA 45 2 95.27 1 45 A ASP 46 2 90.08 1 46 A ARG 47 2 88.88 1 47 A TYR 48 2 95.57 1 48 A PRO 49 2 97.56 1 49 A THR 50 2 96.16 1 50 A PHE 51 2 94.74 1 51 A ARG 52 2 85.35 1 52 A ALA 53 2 97.81 1 53 A CYS 54 2 97.29 1 54 A TRP 55 2 87.99 1 55 A GLU 56 2 95.06 1 56 A LEU 57 2 96.08 1 57 A TRP 58 2 91.12 1 58 A MET 59 2 86.44 1 59 A PHE 60 2 94.01 1 60 A GLN 61 2 91.95 1 61 A ARG 62 2 76.38 1 62 A LYS 63 2 80.47 1 63 A ARG 64 2 82.51 1 64 A ARG 65 2 76.68 1 65 A VAL 66 2 89.23 1 66 A LEU 67 2 85.92 1 67 A ILE 68 2 88.85 1 68 A SER 69 2 92.66 1 69 A ARG 70 2 78.43 1 70 A LYS 71 2 92.65 1 71 A LEU 72 2 94.09 1 72 A HIS 73 2 87.70 1 73 A VAL 74 2 92.91 1 74 A LEU 75 2 93.76 1 75 A ILE 76 2 93.37 1 76 A ASN 77 2 85.38 1 77 A ARG 78 2 83.90 1 78 A SER 79 2 89.19 1 79 A THR 80 2 85.98 1 80 A ASN 81 2 85.03 1 81 A ARG 82 2 78.74 1 82 A THR 83 2 87.45 1 83 A ILE 84 2 84.75 1 84 A GLU 85 2 82.62 1 85 A ALA 86 2 88.76 1 86 A PHE 87 2 81.04 1 87 A GLU 88 2 80.81 1 88 A LYS 89 2 81.33 1 89 A THR 90 2 84.31 1 90 A TYR 91 2 80.88 1 91 A PRO 92 2 78.89 1 92 A PRO 93 2 79.16 1 93 A GLU 94 2 69.16 1 94 A GLU 95 2 69.04 1 95 A ARG 96 2 64.14 1 96 A VAL 97 2 53.99 1 97 A VAL 98 2 48.62 1 98 A GLY 99 2 46.04 1 99 A LYS 100 2 36.11 1 100 A SER 101 2 39.60 1 101 A TYR 102 2 32.79 1 102 A ARG 103 2 33.60 1 103 A ASP 104 2 37.17 1 104 A LEU 105 2 36.16 1 105 A VAL 106 2 37.43 1 106 A THR 107 2 41.94 1 107 A GLU 108 2 43.42 1 108 A LYS 109 2 43.10 1 109 A GLY 110 2 48.00 1 110 A GLU 111 2 45.27 1 111 A ARG 112 2 44.19 1 112 A SER 113 2 50.73 1 113 A ALA 114 2 59.99 1 114 A ASN 115 2 69.09 1 115 A MET 116 2 71.31 1 116 A TYR 117 2 81.61 1 117 A ILE 118 2 79.70 1 118 A ILE 119 2 87.13 1 119 A ASN 120 2 85.07 1 120 A GLY 121 2 81.58 1 121 A GLU 122 2 71.85 1 122 A VAL 123 2 73.92 1 123 A VAL 124 2 79.10 1 124 A GLY 125 2 85.90 1 125 A ALA 126 2 86.88 1 126 A LYS 127 2 78.91 1 127 A ASP 128 2 84.69 1 128 A ALA 129 2 91.65 1 129 A SER 130 2 90.05 1 130 A ILE 131 2 90.43 1 131 A LEU 132 2 88.12 1 132 A LEU 133 2 89.17 1 133 A GLY 134 2 92.16 1 134 A TYR 135 2 88.84 1 135 A SER 136 2 88.36 1 136 A SER 137 2 88.85 1 137 A TYR 138 2 80.09 1 138 A ASN 139 2 87.06 1 139 A THR 140 2 89.91 1 140 A LEU 141 2 89.71 1 141 A TYR 142 2 80.59 1 142 A ALA 143 2 90.20 1 143 A LYS 144 2 88.33 1 144 A MET 145 2 87.66 1 145 A LYS 146 2 77.64 1 146 A ARG 147 2 78.07 1 147 A LEU 148 2 86.48 1 148 A GLY 149 2 86.24 1 149 A ILE 150 2 86.49 1 150 A GLN 151 2 73.56 1 151 A PRO 152 2 75.18 1 152 A GLY 153 2 76.00 1 153 A ASP 154 2 79.06 1 154 A ASP 155 2 83.88 1 155 A ILE 156 2 89.65 1 156 A SER 157 2 90.44 1 157 A HIS 158 2 87.80 1 158 A LEU 159 2 88.28 1 159 A LYS 160 2 79.99 1 160 A PRO 161 2 88.37 1 161 A GLU 162 2 76.57 1 162 A LYS 163 2 65.21 1 163 A ARG 164 2 58.00 1 164 A GLY 165 2 65.16 1 165 A ARG 166 2 49.49 1 166 A LYS 167 2 49.50 1 167 A LYS 168 2 47.32 1 168 A GLU 169 2 48.91 1 169 A CYS 170 2 47.02 1 170 A SER 171 2 47.70 1 171 # _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 SER . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n GLU . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ASP . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n HIS . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n ASN . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n ASN . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n ASP . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n TRP . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n TYR . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n ALA . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n TYR . 48 A 48 A 49 1 n PRO . 49 A 49 A 50 1 n THR . 50 A 50 A 51 1 n PHE . 51 A 51 A 52 1 n ARG . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n CYS . 54 A 54 A 55 1 n TRP . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n TRP . 58 A 58 A 59 1 n MET . 59 A 59 A 60 1 n PHE . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n ARG . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n ARG . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n LEU . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n SER . 69 A 69 A 70 1 n ARG . 70 A 70 A 71 1 n LYS . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n HIS . 73 A 73 A 74 1 n VAL . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n ILE . 76 A 76 A 77 1 n ASN . 77 A 77 A 78 1 n ARG . 78 A 78 A 79 1 n SER . 79 A 79 A 80 1 n THR . 80 A 80 A 81 1 n ASN . 81 A 81 A 82 1 n ARG . 82 A 82 A 83 1 n THR . 83 A 83 A 84 1 n ILE . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n ALA . 86 A 86 A 87 1 n PHE . 87 A 87 A 88 1 n GLU . 88 A 88 A 89 1 n LYS . 89 A 89 A 90 1 n THR . 90 A 90 A 91 1 n TYR . 91 A 91 A 92 1 n PRO . 92 A 92 A 93 1 n PRO . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n ARG . 96 A 96 A 97 1 n VAL . 97 A 97 A 98 1 n VAL . 98 A 98 A 99 1 n GLY . 99 A 99 A 100 1 n LYS . 100 A 100 A 101 1 n SER . 101 A 101 A 102 1 n TYR . 102 A 102 A 103 1 n ARG . 103 A 103 A 104 1 n ASP . 104 A 104 A 105 1 n LEU . 105 A 105 A 106 1 n VAL . 106 A 106 A 107 1 n THR . 107 A 107 A 108 1 n GLU . 108 A 108 A 109 1 n LYS . 109 A 109 A 110 1 n GLY . 110 A 110 A 111 1 n GLU . 111 A 111 A 112 1 n ARG . 112 A 112 A 113 1 n SER . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n ASN . 115 A 115 A 116 1 n MET . 116 A 116 A 117 1 n TYR . 117 A 117 A 118 1 n ILE . 118 A 118 A 119 1 n ILE . 119 A 119 A 120 1 n ASN . 120 A 120 A 121 1 n GLY . 121 A 121 A 122 1 n GLU . 122 A 122 A 123 1 n VAL . 123 A 123 A 124 1 n VAL . 124 A 124 A 125 1 n GLY . 125 A 125 A 126 1 n ALA . 126 A 126 A 127 1 n LYS . 127 A 127 A 128 1 n ASP . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n SER . 130 A 130 A 131 1 n ILE . 131 A 131 A 132 1 n LEU . 132 A 132 A 133 1 n LEU . 133 A 133 A 134 1 n GLY . 134 A 134 A 135 1 n TYR . 135 A 135 A 136 1 n SER . 136 A 136 A 137 1 n SER . 137 A 137 A 138 1 n TYR . 138 A 138 A 139 1 n ASN . 139 A 139 A 140 1 n THR . 140 A 140 A 141 1 n LEU . 141 A 141 A 142 1 n TYR . 142 A 142 A 143 1 n ALA . 143 A 143 A 144 1 n LYS . 144 A 144 A 145 1 n MET . 145 A 145 A 146 1 n LYS . 146 A 146 A 147 1 n ARG . 147 A 147 A 148 1 n LEU . 148 A 148 A 149 1 n GLY . 149 A 149 A 150 1 n ILE . 150 A 150 A 151 1 n GLN . 151 A 151 A 152 1 n PRO . 152 A 152 A 153 1 n GLY . 153 A 153 A 154 1 n ASP . 154 A 154 A 155 1 n ASP . 155 A 155 A 156 1 n ILE . 156 A 156 A 157 1 n SER . 157 A 157 A 158 1 n HIS . 158 A 158 A 159 1 n LEU . 159 A 159 A 160 1 n LYS . 160 A 160 A 161 1 n PRO . 161 A 161 A 162 1 n GLU . 162 A 162 A 163 1 n LYS . 163 A 163 A 164 1 n ARG . 164 A 164 A 165 1 n GLY . 165 A 165 A 166 1 n ARG . 166 A 166 A 167 1 n LYS . 167 A 167 A 168 1 n LYS . 168 A 168 A 169 1 n GLU . 169 A 169 A 170 1 n CYS . 170 A 170 A 171 1 n SER . 171 A 171 # _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 ? 10.664 -17.053 15.823 1.00 77.18 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.461 -16.212 14.907 1.00 84.70 1 A 1 ATOM 3 C C . MET A 1 1 ? 12.918 -16.592 15.058 1.00 85.81 1 A 1 ATOM 4 O O . MET A 1 1 ? 13.410 -16.577 16.187 1.00 81.76 1 A 1 ATOM 5 C CB . MET A 1 1 ? 11.236 -14.720 15.195 1.00 79.54 1 A 1 ATOM 6 C CG . MET A 1 1 ? 11.837 -13.821 14.106 1.00 73.28 1 A 1 ATOM 7 S SD . MET A 1 1 ? 11.504 -12.059 14.361 1.00 69.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? 9.744 -11.990 13.926 1.00 60.46 1 A 1 ATOM 9 N N . SER A 1 2 ? 13.574 -16.970 13.960 1.00 89.65 2 A 1 ATOM 10 C CA . SER A 1 2 ? 14.967 -17.412 13.955 1.00 92.47 2 A 1 ATOM 11 C C . SER A 1 2 ? 15.923 -16.225 14.129 1.00 93.35 2 A 1 ATOM 12 O O . SER A 1 2 ? 15.551 -15.061 13.966 1.00 92.64 2 A 1 ATOM 13 C CB . SER A 1 2 ? 15.264 -18.198 12.669 1.00 89.93 2 A 1 ATOM 14 O OG . SER A 1 2 ? 15.434 -17.323 11.580 1.00 84.56 2 A 1 ATOM 15 N N . LEU A 1 3 ? 17.192 -16.495 14.470 1.00 93.05 3 A 1 ATOM 16 C CA . LEU A 1 3 ? 18.230 -15.458 14.491 1.00 94.16 3 A 1 ATOM 17 C C . LEU A 1 3 ? 18.471 -14.890 13.083 1.00 94.81 3 A 1 ATOM 18 O O . LEU A 1 3 ? 18.734 -13.695 12.947 1.00 94.33 3 A 1 ATOM 19 C CB . LEU A 1 3 ? 19.513 -16.047 15.107 1.00 93.69 3 A 1 ATOM 20 C CG . LEU A 1 3 ? 20.685 -15.046 15.211 1.00 88.12 3 A 1 ATOM 21 C CD1 . LEU A 1 3 ? 20.352 -13.852 16.115 1.00 82.39 3 A 1 ATOM 22 C CD2 . LEU A 1 3 ? 21.912 -15.754 15.782 1.00 84.30 3 A 1 ATOM 23 N N . SER A 1 4 ? 18.342 -15.724 12.044 1.00 95.52 4 A 1 ATOM 24 C CA . SER A 1 4 ? 18.440 -15.312 10.641 1.00 95.26 4 A 1 ATOM 25 C C . SER A 1 4 ? 17.371 -14.273 10.288 1.00 95.53 4 A 1 ATOM 26 O O . SER A 1 4 ? 17.707 -13.200 9.801 1.00 94.63 4 A 1 ATOM 27 C CB . SER A 1 4 ? 18.320 -16.532 9.727 1.00 94.46 4 A 1 ATOM 28 O OG . SER A 1 4 ? 18.632 -16.160 8.405 1.00 83.77 4 A 1 ATOM 29 N N . ASP A 1 5 ? 16.104 -14.523 10.665 1.00 95.34 5 A 1 ATOM 30 C CA . ASP A 1 5 ? 14.997 -13.586 10.423 1.00 95.11 5 A 1 ATOM 31 C C . ASP A 1 5 ? 15.257 -12.220 11.078 1.00 96.25 5 A 1 ATOM 32 O O . ASP A 1 5 ? 15.004 -11.163 10.498 1.00 95.93 5 A 1 ATOM 33 C CB . ASP A 1 5 ? 13.677 -14.126 11.012 1.00 93.32 5 A 1 ATOM 34 C CG . ASP A 1 5 ? 13.248 -15.517 10.545 1.00 90.23 5 A 1 ATOM 35 O OD1 . ASP A 1 5 ? 13.599 -15.917 9.420 1.00 86.17 5 A 1 ATOM 36 O OD2 . ASP A 1 5 ? 12.625 -16.210 11.390 1.00 85.09 5 A 1 ATOM 37 N N . LYS A 1 6 ? 15.786 -12.223 12.309 1.00 95.75 6 A 1 ATOM 38 C CA . LYS A 1 6 ? 16.104 -10.990 13.040 1.00 96.39 6 A 1 ATOM 39 C C . LYS A 1 6 ? 17.224 -10.195 12.360 1.00 97.33 6 A 1 ATOM 40 O O . LYS A 1 6 ? 17.145 -8.968 12.291 1.00 97.15 6 A 1 ATOM 41 C CB . LYS A 1 6 ? 16.497 -11.325 14.480 1.00 96.13 6 A 1 ATOM 42 C CG . LYS A 1 6 ? 15.330 -11.833 15.339 1.00 94.72 6 A 1 ATOM 43 C CD . LYS A 1 6 ? 15.857 -12.160 16.741 1.00 91.20 6 A 1 ATOM 44 C CE . LYS A 1 6 ? 14.742 -12.684 17.647 1.00 86.31 6 A 1 ATOM 45 N NZ . LYS A 1 6 ? 15.267 -13.005 18.998 1.00 77.28 6 A 1 ATOM 46 N N . LYS A 1 7 ? 18.253 -10.881 11.858 1.00 95.85 7 A 1 ATOM 47 C CA . LYS A 1 7 ? 19.344 -10.258 11.093 1.00 95.96 7 A 1 ATOM 48 C C . LYS A 1 7 ? 18.828 -9.660 9.784 1.00 96.52 7 A 1 ATOM 49 O O . LYS A 1 7 ? 19.133 -8.505 9.504 1.00 96.28 7 A 1 ATOM 50 C CB . LYS A 1 7 ? 20.466 -11.272 10.835 1.00 95.88 7 A 1 ATOM 51 C CG . LYS A 1 7 ? 21.289 -11.576 12.097 1.00 93.42 7 A 1 ATOM 52 C CD . LYS A 1 7 ? 22.398 -12.591 11.781 1.00 90.18 7 A 1 ATOM 53 C CE . LYS A 1 7 ? 23.262 -12.863 13.017 1.00 85.31 7 A 1 ATOM 54 N NZ . LYS A 1 7 ? 24.397 -13.773 12.713 1.00 77.00 7 A 1 ATOM 55 N N . GLU A 1 8 ? 17.987 -10.392 9.055 1.00 96.21 8 A 1 ATOM 56 C CA . GLU A 1 8 ? 17.354 -9.916 7.819 1.00 96.05 8 A 1 ATOM 57 C C . GLU A 1 8 ? 16.501 -8.656 8.066 1.00 96.67 8 A 1 ATOM 58 O O . GLU A 1 8 ? 16.606 -7.676 7.328 1.00 96.10 8 A 1 ATOM 59 C CB . GLU A 1 8 ? 16.508 -11.055 7.206 1.00 94.92 8 A 1 ATOM 60 C CG . GLU A 1 8 ? 15.925 -10.663 5.835 1.00 88.58 8 A 1 ATOM 61 C CD . GLU A 1 8 ? 15.055 -11.752 5.168 1.00 88.10 8 A 1 ATOM 62 O OE1 . GLU A 1 8 ? 14.851 -11.684 3.934 1.00 79.30 8 A 1 ATOM 63 O OE2 . GLU A 1 8 ? 14.495 -12.644 5.848 1.00 82.24 8 A 1 ATOM 64 N N . GLN A 1 9 ? 15.710 -8.628 9.144 1.00 97.25 9 A 1 ATOM 65 C CA . GLN A 1 9 ? 14.937 -7.444 9.544 1.00 97.53 9 A 1 ATOM 66 C C . GLN A 1 9 ? 15.828 -6.229 9.793 1.00 97.90 9 A 1 ATOM 67 O O . GLN A 1 9 ? 15.539 -5.143 9.295 1.00 97.81 9 A 1 ATOM 68 C CB . GLN A 1 9 ? 14.131 -7.738 10.818 1.00 97.05 9 A 1 ATOM 69 C CG . GLN A 1 9 ? 12.911 -8.611 10.525 1.00 94.84 9 A 1 ATOM 70 C CD . GLN A 1 9 ? 12.224 -9.129 11.775 1.00 93.95 9 A 1 ATOM 71 O OE1 . GLN A 1 9 ? 12.464 -8.751 12.909 1.00 86.07 9 A 1 ATOM 72 N NE2 . GLN A 1 9 ? 11.312 -10.053 11.608 1.00 83.97 9 A 1 ATOM 73 N N . LYS A 1 10 ? 16.918 -6.407 10.536 1.00 97.56 10 A 1 ATOM 74 C CA . LYS A 1 10 ? 17.857 -5.314 10.815 1.00 97.82 10 A 1 ATOM 75 C C . LYS A 1 10 ? 18.513 -4.800 9.542 1.00 98.08 10 A 1 ATOM 76 O O . LYS A 1 10 ? 18.564 -3.591 9.331 1.00 97.78 10 A 1 ATOM 77 C CB . LYS A 1 10 ? 18.895 -5.773 11.839 1.00 97.26 10 A 1 ATOM 78 C CG . LYS A 1 10 ? 19.843 -4.622 12.188 1.00 96.70 10 A 1 ATOM 79 C CD . LYS A 1 10 ? 20.635 -4.931 13.452 1.00 95.59 10 A 1 ATOM 80 C CE . LYS A 1 10 ? 21.453 -3.701 13.826 1.00 93.34 10 A 1 ATOM 81 N NZ . LYS A 1 10 ? 21.870 -3.752 15.233 1.00 91.56 10 A 1 ATOM 82 N N . GLU A 1 11 ? 18.983 -5.699 8.693 1.00 96.68 11 A 1 ATOM 83 C CA . GLU A 1 11 ? 19.617 -5.339 7.430 1.00 96.78 11 A 1 ATOM 84 C C . GLU A 1 11 ? 18.655 -4.567 6.519 1.00 97.12 11 A 1 ATOM 85 O O . GLU A 1 11 ? 19.013 -3.509 5.999 1.00 96.71 11 A 1 ATOM 86 C CB . GLU A 1 11 ? 20.114 -6.625 6.763 1.00 96.36 11 A 1 ATOM 87 C CG . GLU A 1 11 ? 20.982 -6.304 5.544 1.00 86.39 11 A 1 ATOM 88 C CD . GLU A 1 11 ? 21.450 -7.561 4.797 1.00 81.31 11 A 1 ATOM 89 O OE1 . GLU A 1 11 ? 22.092 -7.351 3.744 1.00 72.11 11 A 1 ATOM 90 O OE2 . GLU A 1 11 ? 21.118 -8.687 5.209 1.00 73.78 11 A 1 ATOM 91 N N . ALA A 1 12 ? 17.420 -5.037 6.386 1.00 97.21 12 A 1 ATOM 92 C CA . ALA A 1 12 ? 16.385 -4.363 5.609 1.00 97.23 12 A 1 ATOM 93 C C . ALA A 1 12 ? 16.028 -2.978 6.176 1.00 97.65 12 A 1 ATOM 94 O O . ALA A 1 12 ? 15.859 -2.020 5.415 1.00 97.44 12 A 1 ATOM 95 C CB . ALA A 1 12 ? 15.163 -5.287 5.565 1.00 97.15 12 A 1 ATOM 96 N N . TYR A 1 13 ? 15.946 -2.855 7.496 1.00 97.69 13 A 1 ATOM 97 C CA . TYR A 1 13 ? 15.653 -1.594 8.181 1.00 97.76 13 A 1 ATOM 98 C C . TYR A 1 13 ? 16.771 -0.562 7.984 1.00 97.84 13 A 1 ATOM 99 O O . TYR A 1 13 ? 16.505 0.574 7.587 1.00 97.62 13 A 1 ATOM 100 C CB . TYR A 1 13 ? 15.404 -1.891 9.665 1.00 97.79 13 A 1 ATOM 101 C CG . TYR A 1 13 ? 14.893 -0.708 10.459 1.00 98.02 13 A 1 ATOM 102 C CD1 . TYR A 1 13 ? 15.795 0.191 11.057 1.00 96.25 13 A 1 ATOM 103 C CD2 . TYR A 1 13 ? 13.506 -0.514 10.605 1.00 96.17 13 A 1 ATOM 104 C CE1 . TYR A 1 13 ? 15.313 1.286 11.797 1.00 95.95 13 A 1 ATOM 105 C CE2 . TYR A 1 13 ? 13.021 0.579 11.346 1.00 95.77 13 A 1 ATOM 106 C CZ . TYR A 1 13 ? 13.925 1.481 11.942 1.00 97.55 13 A 1 ATOM 107 O OH . TYR A 1 13 ? 13.461 2.540 12.653 1.00 97.04 13 A 1 ATOM 108 N N . LEU A 1 14 ? 18.026 -0.957 8.200 1.00 96.95 14 A 1 ATOM 109 C CA . LEU A 1 14 ? 19.182 -0.072 8.029 1.00 96.90 14 A 1 ATOM 110 C C . LEU A 1 14 ? 19.383 0.330 6.563 1.00 97.14 14 A 1 ATOM 111 O O . LEU A 1 14 ? 19.643 1.498 6.284 1.00 96.91 14 A 1 ATOM 112 C CB . LEU A 1 14 ? 20.444 -0.757 8.584 1.00 97.17 14 A 1 ATOM 113 C CG . LEU A 1 14 ? 20.461 -0.972 10.109 1.00 96.68 14 A 1 ATOM 114 C CD1 . LEU A 1 14 ? 21.751 -1.692 10.502 1.00 93.16 14 A 1 ATOM 115 C CD2 . LEU A 1 14 ? 20.379 0.335 10.897 1.00 93.44 14 A 1 ATOM 116 N N . ASP A 1 15 ? 19.204 -0.594 5.617 1.00 96.62 15 A 1 ATOM 117 C CA . ASP A 1 15 ? 19.294 -0.289 4.187 1.00 96.32 15 A 1 ATOM 118 C C . ASP A 1 15 ? 18.206 0.703 3.744 1.00 96.76 15 A 1 ATOM 119 O O . ASP A 1 15 ? 18.471 1.624 2.970 1.00 96.38 15 A 1 ATOM 120 C CB . ASP A 1 15 ? 19.224 -1.595 3.388 1.00 95.79 15 A 1 ATOM 121 C CG . ASP A 1 15 ? 19.526 -1.370 1.906 1.00 93.78 15 A 1 ATOM 122 O OD1 . ASP A 1 15 ? 20.629 -0.853 1.595 1.00 87.65 15 A 1 ATOM 123 O OD2 . ASP A 1 15 ? 18.668 -1.726 1.069 1.00 87.08 15 A 1 ATOM 124 N N . ALA A 1 16 ? 16.998 0.577 4.294 1.00 96.87 16 A 1 ATOM 125 C CA . ALA A 1 16 ? 15.920 1.523 4.033 1.00 96.69 16 A 1 ATOM 126 C C . ALA A 1 16 ? 16.244 2.940 4.530 1.00 96.92 16 A 1 ATOM 127 O O . ALA A 1 16 ? 15.973 3.910 3.820 1.00 96.50 16 A 1 ATOM 128 C CB . ALA A 1 16 ? 14.638 0.988 4.673 1.00 96.79 16 A 1 ATOM 129 N N . LEU A 1 17 ? 16.844 3.072 5.714 1.00 97.15 17 A 1 ATOM 130 C CA . LEU A 1 17 ? 17.281 4.364 6.256 1.00 97.17 17 A 1 ATOM 131 C C . LEU A 1 17 ? 18.490 4.936 5.507 1.00 97.22 17 A 1 ATOM 132 O O . LEU A 1 17 ? 18.591 6.148 5.364 1.00 96.66 17 A 1 ATOM 133 C CB . LEU A 1 17 ? 17.595 4.223 7.751 1.00 97.48 17 A 1 ATOM 134 C CG . LEU A 1 17 ? 16.376 3.915 8.639 1.00 97.15 17 A 1 ATOM 135 C CD1 . LEU A 1 17 ? 16.847 3.801 10.089 1.00 94.72 17 A 1 ATOM 136 C CD2 . LEU A 1 17 ? 15.297 4.999 8.557 1.00 95.02 17 A 1 ATOM 137 N N . ARG A 1 18 ? 19.377 4.093 4.987 1.00 96.39 18 A 1 ATOM 138 C CA . ARG A 1 18 ? 20.500 4.518 4.135 1.00 95.80 18 A 1 ATOM 139 C C . ARG A 1 18 ? 20.012 5.128 2.814 1.00 96.02 18 A 1 ATOM 140 O O . ARG A 1 18 ? 20.558 6.123 2.365 1.00 95.22 18 A 1 ATOM 141 C CB . ARG A 1 18 ? 21.410 3.310 3.895 1.00 95.99 18 A 1 ATOM 142 C CG . ARG A 1 18 ? 22.691 3.660 3.131 1.00 86.62 18 A 1 ATOM 143 C CD . ARG A 1 18 ? 23.495 2.401 2.778 1.00 83.96 18 A 1 ATOM 144 N NE . ARG A 1 18 ? 22.761 1.510 1.850 1.00 72.46 18 A 1 ATOM 145 C CZ . ARG A 1 18 ? 22.650 1.635 0.540 1.00 66.28 18 A 1 ATOM 146 N NH1 . ARG A 1 18 ? 23.237 2.592 -0.128 1.00 59.44 18 A 1 ATOM 147 N NH2 . ARG A 1 18 ? 21.933 0.775 -0.127 1.00 57.05 18 A 1 ATOM 148 N N . ILE A 1 19 ? 18.991 4.524 2.197 1.00 96.01 19 A 1 ATOM 149 C CA . ILE A 1 19 ? 18.440 4.976 0.909 1.00 95.40 19 A 1 ATOM 150 C C . ILE A 1 19 ? 17.549 6.211 1.076 1.00 95.42 19 A 1 ATOM 151 O O . ILE A 1 19 ? 17.625 7.143 0.279 1.00 93.43 19 A 1 ATOM 152 C CB . ILE A 1 19 ? 17.685 3.808 0.230 1.00 95.05 19 A 1 ATOM 153 C CG1 . ILE A 1 19 ? 18.701 2.727 -0.220 1.00 93.29 19 A 1 ATOM 154 C CG2 . ILE A 1 19 ? 16.857 4.284 -0.977 1.00 92.73 19 A 1 ATOM 155 C CD1 . ILE A 1 19 ? 18.052 1.404 -0.641 1.00 86.27 19 A 1 ATOM 156 N N . ALA A 1 20 ? 16.690 6.210 2.100 1.00 95.72 20 A 1 ATOM 157 C CA . ALA A 1 20 ? 15.778 7.309 2.395 1.00 95.35 20 A 1 ATOM 158 C C . ALA A 1 20 ? 15.874 7.681 3.886 1.00 96.16 20 A 1 ATOM 159 O O . ALA A 1 20 ? 15.075 7.188 4.695 1.00 95.42 20 A 1 ATOM 160 C CB . ALA A 1 20 ? 14.362 6.915 1.949 1.00 94.97 20 A 1 ATOM 161 N N . PRO A 1 21 ? 16.853 8.531 4.256 1.00 97.04 21 A 1 ATOM 162 C CA . PRO A 1 21 ? 17.097 8.922 5.639 1.00 96.90 21 A 1 ATOM 163 C C . PRO A 1 21 ? 15.872 9.571 6.289 1.00 97.03 21 A 1 ATOM 164 O O . PRO A 1 21 ? 15.102 10.301 5.651 1.00 96.12 21 A 1 ATOM 165 C CB . PRO A 1 21 ? 18.295 9.878 5.606 1.00 96.07 21 A 1 ATOM 166 C CG . PRO A 1 21 ? 19.038 9.474 4.333 1.00 94.73 21 A 1 ATOM 167 C CD . PRO A 1 21 ? 17.905 9.069 3.395 1.00 96.52 21 A 1 ATOM 168 N N . LEU A 1 22 ? 15.710 9.312 7.585 1.00 96.93 22 A 1 ATOM 169 C CA . LEU A 1 22 ? 14.684 9.922 8.422 1.00 97.07 22 A 1 ATOM 170 C C . LEU A 1 22 ? 15.302 10.476 9.699 1.00 97.47 22 A 1 ATOM 171 O O . LEU A 1 22 ? 16.190 9.862 10.288 1.00 96.71 22 A 1 ATOM 172 C CB . LEU A 1 22 ? 13.581 8.904 8.756 1.00 96.56 22 A 1 ATOM 173 C CG . LEU A 1 22 ? 12.689 8.500 7.572 1.00 94.72 22 A 1 ATOM 174 C CD1 . LEU A 1 22 ? 11.664 7.464 8.039 1.00 89.44 22 A 1 ATOM 175 C CD2 . LEU A 1 22 ? 11.914 9.688 7.000 1.00 90.04 22 A 1 ATOM 176 N N . ASP A 1 23 ? 14.773 11.617 10.137 1.00 96.60 23 A 1 ATOM 177 C CA . ASP A 1 23 ? 15.113 12.183 11.434 1.00 96.73 23 A 1 ATOM 178 C C . ASP A 1 23 ? 14.727 11.232 12.586 1.00 97.41 23 A 1 ATOM 179 O O . ASP A 1 23 ? 13.705 10.533 12.540 1.00 96.49 23 A 1 ATOM 180 C CB . ASP A 1 23 ? 14.439 13.555 11.578 1.00 94.79 23 A 1 ATOM 181 C CG . ASP A 1 23 ? 14.618 14.052 13.004 1.00 87.82 23 A 1 ATOM 182 O OD1 . ASP A 1 23 ? 15.782 14.303 13.367 1.00 78.92 23 A 1 ATOM 183 O OD2 . ASP A 1 23 ? 13.624 13.965 13.759 1.00 77.93 23 A 1 ATOM 184 N N . ARG A 1 24 ? 15.544 11.237 13.644 1.00 97.11 24 A 1 ATOM 185 C CA . ARG A 1 24 ? 15.336 10.390 14.828 1.00 97.25 24 A 1 ATOM 186 C C . ARG A 1 24 ? 13.987 10.653 15.498 1.00 97.87 24 A 1 ATOM 187 O O . ARG A 1 24 ? 13.322 9.706 15.917 1.00 96.94 24 A 1 ATOM 188 C CB . ARG A 1 24 ? 16.458 10.625 15.849 1.00 95.59 24 A 1 ATOM 189 C CG . ARG A 1 24 ? 17.820 10.106 15.359 1.00 90.97 24 A 1 ATOM 190 C CD . ARG A 1 24 ? 18.918 10.386 16.394 1.00 90.55 24 A 1 ATOM 191 N NE . ARG A 1 24 ? 18.657 9.708 17.675 1.00 86.84 24 A 1 ATOM 192 C CZ . ARG A 1 24 ? 19.112 8.538 18.088 1.00 85.63 24 A 1 ATOM 193 N NH1 . ARG A 1 24 ? 19.910 7.781 17.391 1.00 75.53 24 A 1 ATOM 194 N NH2 . ARG A 1 24 ? 18.761 8.100 19.257 1.00 76.36 24 A 1 ATOM 195 N N . GLY A 1 25 ? 13.565 11.915 15.577 1.00 97.38 25 A 1 ATOM 196 C CA . GLY A 1 25 ? 12.263 12.277 16.139 1.00 97.59 25 A 1 ATOM 197 C C . GLY A 1 25 ? 11.107 11.679 15.337 1.00 97.97 25 A 1 ATOM 198 O O . GLY A 1 25 ? 10.124 11.212 15.914 1.00 97.06 25 A 1 ATOM 199 N N . VAL A 1 26 ? 11.243 11.614 14.006 1.00 97.55 26 A 1 ATOM 200 C CA . VAL A 1 26 ? 10.268 10.946 13.127 1.00 97.61 26 A 1 ATOM 201 C C . VAL A 1 26 ? 10.238 9.437 13.385 1.00 98.00 26 A 1 ATOM 202 O O . VAL A 1 26 ? 9.154 8.887 13.569 1.00 97.62 26 A 1 ATOM 203 C CB . VAL A 1 26 ? 10.545 11.264 11.645 1.00 97.16 26 A 1 ATOM 204 C CG1 . VAL A 1 26 ? 9.586 10.524 10.707 1.00 95.40 26 A 1 ATOM 205 C CG2 . VAL A 1 26 ? 10.383 12.764 11.363 1.00 95.30 26 A 1 ATOM 206 N N . LEU A 1 27 ? 11.403 8.781 13.470 1.00 97.77 27 A 1 ATOM 207 C CA . LEU A 1 27 ? 11.475 7.338 13.754 1.00 97.85 27 A 1 ATOM 208 C C . LEU A 1 27 ? 10.827 6.980 15.100 1.00 97.89 27 A 1 ATOM 209 O O . LEU A 1 27 ? 10.028 6.044 15.166 1.00 97.73 27 A 1 ATOM 210 C CB . LEU A 1 27 ? 12.943 6.874 13.723 1.00 97.96 27 A 1 ATOM 211 C CG . LEU A 1 27 ? 13.607 6.930 12.335 1.00 97.40 27 A 1 ATOM 212 C CD1 . LEU A 1 27 ? 15.090 6.588 12.460 1.00 95.75 27 A 1 ATOM 213 C CD2 . LEU A 1 27 ? 12.966 5.950 11.352 1.00 95.73 27 A 1 ATOM 214 N N . LYS A 1 28 ? 11.105 7.769 16.151 1.00 97.98 28 A 1 ATOM 215 C CA . LYS A 1 28 ? 10.482 7.568 17.470 1.00 97.70 28 A 1 ATOM 216 C C . LYS A 1 28 ? 8.957 7.679 17.414 1.00 97.75 28 A 1 ATOM 217 O O . LYS A 1 28 ? 8.276 6.852 18.013 1.00 97.09 28 A 1 ATOM 218 C CB . LYS A 1 28 ? 11.051 8.561 18.491 1.00 97.39 28 A 1 ATOM 219 C CG . LYS A 1 28 ? 12.512 8.231 18.848 1.00 95.90 28 A 1 ATOM 220 C CD . LYS A 1 28 ? 13.006 9.024 20.064 1.00 93.84 28 A 1 ATOM 221 C CE . LYS A 1 28 ? 13.057 10.537 19.843 1.00 88.45 28 A 1 ATOM 222 N NZ . LYS A 1 28 ? 13.649 11.211 21.024 1.00 83.81 28 A 1 ATOM 223 N N . ARG A 1 29 ? 8.431 8.661 16.670 1.00 97.80 29 A 1 ATOM 224 C CA . ARG A 1 29 ? 6.974 8.826 16.500 1.00 97.81 29 A 1 ATOM 225 C C . ARG A 1 29 ? 6.332 7.685 15.708 1.00 97.94 29 A 1 ATOM 226 O O . ARG A 1 29 ? 5.266 7.228 16.092 1.00 96.69 29 A 1 ATOM 227 C CB . ARG A 1 29 ? 6.657 10.172 15.833 1.00 97.35 29 A 1 ATOM 228 C CG . ARG A 1 29 ? 6.853 11.359 16.787 1.00 90.33 29 A 1 ATOM 229 C CD . ARG A 1 29 ? 6.343 12.670 16.162 1.00 89.19 29 A 1 ATOM 230 N NE . ARG A 1 29 ? 7.109 13.076 14.958 1.00 78.02 29 A 1 ATOM 231 C CZ . ARG A 1 29 ? 8.155 13.885 14.918 1.00 70.84 29 A 1 ATOM 232 N NH1 . ARG A 1 29 ? 8.677 14.398 15.994 1.00 63.64 29 A 1 ATOM 233 N NH2 . ARG A 1 29 ? 8.698 14.210 13.776 1.00 59.99 29 A 1 ATOM 234 N N . ILE A 1 30 ? 6.979 7.235 14.623 1.00 97.71 30 A 1 ATOM 235 C CA . ILE A 1 30 ? 6.454 6.136 13.792 1.00 97.28 30 A 1 ATOM 236 C C . ILE A 1 30 ? 6.348 4.841 14.599 1.00 97.66 30 A 1 ATOM 237 O O . ILE A 1 30 ? 5.337 4.152 14.507 1.00 96.91 30 A 1 ATOM 238 C CB . ILE A 1 30 ? 7.333 5.930 12.540 1.00 95.59 30 A 1 ATOM 239 C CG1 . ILE A 1 30 ? 7.198 7.123 11.571 1.00 87.60 30 A 1 ATOM 240 C CG2 . ILE A 1 30 ? 6.962 4.637 11.783 1.00 85.62 30 A 1 ATOM 241 C CD1 . ILE A 1 30 ? 8.298 7.144 10.506 1.00 85.50 30 A 1 ATOM 242 N N . HIS A 1 31 ? 7.382 4.522 15.375 1.00 97.51 31 A 1 ATOM 243 C CA . HIS A 1 31 ? 7.492 3.235 16.064 1.00 97.52 31 A 1 ATOM 244 C C . HIS A 1 31 ? 7.009 3.268 17.517 1.00 97.40 31 A 1 ATOM 245 O O . HIS A 1 31 ? 6.999 2.228 18.173 1.00 95.87 31 A 1 ATOM 246 C CB . HIS A 1 31 ? 8.949 2.759 15.975 1.00 97.27 31 A 1 ATOM 247 C CG . HIS A 1 31 ? 9.433 2.652 14.553 1.00 97.96 31 A 1 ATOM 248 N ND1 . HIS A 1 31 ? 8.745 2.038 13.526 1.00 94.42 31 A 1 ATOM 249 C CD2 . HIS A 1 31 ? 10.580 3.170 14.031 1.00 94.61 31 A 1 ATOM 250 C CE1 . HIS A 1 31 ? 9.469 2.191 12.409 1.00 95.37 31 A 1 ATOM 251 N NE2 . HIS A 1 31 ? 10.595 2.870 12.670 1.00 95.64 31 A 1 ATOM 252 N N . ALA A 1 32 ? 6.649 4.447 18.030 1.00 97.43 32 A 1 ATOM 253 C CA . ALA A 1 32 ? 6.296 4.673 19.433 1.00 97.40 32 A 1 ATOM 254 C C . ALA A 1 32 ? 7.362 4.133 20.411 1.00 97.55 32 A 1 ATOM 255 O O . ALA A 1 32 ? 7.044 3.463 21.396 1.00 95.13 32 A 1 ATOM 256 C CB . ALA A 1 32 ? 4.872 4.160 19.685 1.00 96.89 32 A 1 ATOM 257 N N . VAL A 1 33 ? 8.651 4.410 20.129 1.00 97.24 33 A 1 ATOM 258 C CA . VAL A 1 33 ? 9.790 3.956 20.943 1.00 97.23 33 A 1 ATOM 259 C C . VAL A 1 33 ? 10.592 5.129 21.511 1.00 97.42 33 A 1 ATOM 260 O O . VAL A 1 33 ? 10.562 6.245 20.990 1.00 96.71 33 A 1 ATOM 261 C CB . VAL A 1 33 ? 10.706 2.976 20.185 1.00 96.98 33 A 1 ATOM 262 C CG1 . VAL A 1 33 ? 9.963 1.696 19.788 1.00 94.53 33 A 1 ATOM 263 C CG2 . VAL A 1 33 ? 11.360 3.599 18.947 1.00 93.36 33 A 1 ATOM 264 N N . ASN A 1 34 ? 11.350 4.871 22.581 1.00 96.99 34 A 1 ATOM 265 C CA . ASN A 1 34 ? 12.295 5.822 23.166 1.00 96.72 34 A 1 ATOM 266 C C . ASN A 1 34 ? 13.667 5.779 22.460 1.00 97.21 34 A 1 ATOM 267 O O . ASN A 1 34 ? 13.945 4.888 21.652 1.00 96.61 34 A 1 ATOM 268 C CB . ASN A 1 34 ? 12.360 5.593 24.694 1.00 95.99 34 A 1 ATOM 269 C CG . ASN A 1 34 ? 12.931 4.247 25.114 1.00 95.08 34 A 1 ATOM 270 O OD1 . ASN A 1 34 ? 13.706 3.614 24.422 1.00 87.10 34 A 1 ATOM 271 N ND2 . ASN A 1 34 ? 12.581 3.771 26.283 1.00 87.89 34 A 1 ATOM 272 N N . ASP A 1 35 ? 14.544 6.739 22.798 1.00 97.35 35 A 1 ATOM 273 C CA . ASP A 1 35 ? 15.895 6.840 22.220 1.00 97.47 35 A 1 ATOM 274 C C . ASP A 1 35 ? 16.735 5.582 22.459 1.00 97.74 35 A 1 ATOM 275 O O . ASP A 1 35 ? 17.320 5.056 21.517 1.00 96.74 35 A 1 ATOM 276 C CB . ASP A 1 35 ? 16.609 8.086 22.779 1.00 96.44 35 A 1 ATOM 277 C CG . ASP A 1 35 ? 15.968 9.347 22.211 1.00 94.41 35 A 1 ATOM 278 O OD1 . ASP A 1 35 ? 16.111 9.603 20.992 1.00 89.14 35 A 1 ATOM 279 O OD2 . ASP A 1 35 ? 15.180 10.010 22.930 1.00 89.61 35 A 1 ATOM 280 N N . ASN A 1 36 ? 16.706 5.015 23.658 1.00 96.90 36 A 1 ATOM 281 C CA . ASN A 1 36 ? 17.459 3.802 23.996 1.00 96.92 36 A 1 ATOM 282 C C . ASN A 1 36 ? 17.070 2.607 23.105 1.00 97.22 36 A 1 ATOM 283 O O . ASN A 1 36 ? 17.922 1.856 22.630 1.00 96.09 36 A 1 ATOM 284 C CB . ASN A 1 36 ? 17.203 3.509 25.484 1.00 96.48 36 A 1 ATOM 285 C CG . ASN A 1 36 ? 17.939 2.293 26.028 1.00 90.81 36 A 1 ATOM 286 O OD1 . ASN A 1 36 ? 18.986 1.868 25.586 1.00 80.51 36 A 1 ATOM 287 N ND2 . ASN A 1 36 ? 17.396 1.669 27.048 1.00 80.07 36 A 1 ATOM 288 N N . THR A 1 37 ? 15.777 2.418 22.849 1.00 97.53 37 A 1 ATOM 289 C CA . THR A 1 37 ? 15.298 1.347 21.962 1.00 97.61 37 A 1 ATOM 290 C C . THR A 1 37 ? 15.736 1.592 20.522 1.00 97.86 37 A 1 ATOM 291 O O . THR A 1 37 ? 16.216 0.669 19.864 1.00 97.11 37 A 1 ATOM 292 C CB . THR A 1 37 ? 13.774 1.215 22.035 1.00 97.31 37 A 1 ATOM 293 O OG1 . THR A 1 37 ? 13.387 0.951 23.362 1.00 94.53 37 A 1 ATOM 294 C CG2 . THR A 1 37 ? 13.248 0.060 21.180 1.00 94.15 37 A 1 ATOM 295 N N . LEU A 1 38 ? 15.613 2.827 20.041 1.00 97.87 38 A 1 ATOM 296 C CA . LEU A 1 38 ? 16.031 3.195 18.691 1.00 97.78 38 A 1 ATOM 297 C C . LEU A 1 38 ? 17.549 3.020 18.511 1.00 97.89 38 A 1 ATOM 298 O O . LEU A 1 38 ? 17.973 2.420 17.527 1.00 97.61 38 A 1 ATOM 299 C CB . LEU A 1 38 ? 15.549 4.627 18.401 1.00 97.60 38 A 1 ATOM 300 C CG . LEU A 1 38 ? 15.864 5.108 16.974 1.00 96.71 38 A 1 ATOM 301 C CD1 . LEU A 1 38 ? 15.198 4.242 15.898 1.00 93.06 38 A 1 ATOM 302 C CD2 . LEU A 1 38 ? 15.366 6.541 16.801 1.00 93.57 38 A 1 ATOM 303 N N . ASP A 1 39 ? 18.359 3.452 19.479 1.00 97.72 39 A 1 ATOM 304 C CA . ASP A 1 39 ? 19.819 3.296 19.452 1.00 97.62 39 A 1 ATOM 305 C C . ASP A 1 39 ? 20.247 1.830 19.428 1.00 97.74 39 A 1 ATOM 306 O O . ASP A 1 39 ? 21.125 1.446 18.652 1.00 96.95 39 A 1 ATOM 307 C CB . ASP A 1 39 ? 20.446 4.000 20.666 1.00 96.89 39 A 1 ATOM 308 C CG . ASP A 1 39 ? 20.438 5.515 20.498 1.00 95.20 39 A 1 ATOM 309 O OD1 . ASP A 1 39 ? 20.420 5.969 19.330 1.00 91.13 39 A 1 ATOM 310 O OD2 . ASP A 1 39 ? 20.437 6.239 21.509 1.00 90.66 39 A 1 ATOM 311 N N . LYS A 1 40 ? 19.572 0.986 20.195 1.00 97.73 40 A 1 ATOM 312 C CA . LYS A 1 40 ? 19.795 -0.463 20.140 1.00 97.60 40 A 1 ATOM 313 C C . LYS A 1 40 ? 19.551 -1.015 18.733 1.00 97.80 40 A 1 ATOM 314 O O . LYS A 1 40 ? 20.365 -1.791 18.236 1.00 97.13 40 A 1 ATOM 315 C CB . LYS A 1 40 ? 18.904 -1.163 21.174 1.00 97.24 40 A 1 ATOM 316 C CG . LYS A 1 40 ? 19.480 -1.002 22.584 1.00 95.58 40 A 1 ATOM 317 C CD . LYS A 1 40 ? 18.485 -1.483 23.644 1.00 92.33 40 A 1 ATOM 318 C CE . LYS A 1 40 ? 19.141 -1.311 25.017 1.00 88.04 40 A 1 ATOM 319 N NZ . LYS A 1 40 ? 18.178 -1.501 26.126 1.00 79.36 40 A 1 ATOM 320 N N . TRP A 1 41 ? 18.474 -0.606 18.065 1.00 97.90 41 A 1 ATOM 321 C CA . TRP A 1 41 ? 18.195 -1.076 16.708 1.00 97.83 41 A 1 ATOM 322 C C . TRP A 1 41 ? 19.217 -0.579 15.682 1.00 97.87 41 A 1 ATOM 323 O O . TRP A 1 41 ? 19.610 -1.349 14.802 1.00 97.14 41 A 1 ATOM 324 C CB . TRP A 1 41 ? 16.780 -0.660 16.300 1.00 97.56 41 A 1 ATOM 325 C CG . TRP A 1 41 ? 15.655 -1.261 17.087 1.00 97.77 41 A 1 ATOM 326 C CD1 . TRP A 1 41 ? 15.735 -2.265 17.996 1.00 96.70 41 A 1 ATOM 327 C CD2 . TRP A 1 41 ? 14.247 -0.902 17.025 1.00 97.61 41 A 1 ATOM 328 N NE1 . TRP A 1 41 ? 14.483 -2.547 18.500 1.00 96.56 41 A 1 ATOM 329 C CE2 . TRP A 1 41 ? 13.523 -1.737 17.929 1.00 97.17 41 A 1 ATOM 330 C CE3 . TRP A 1 41 ? 13.501 0.048 16.280 1.00 96.79 41 A 1 ATOM 331 C CZ2 . TRP A 1 41 ? 12.131 -1.641 18.082 1.00 96.14 41 A 1 ATOM 332 C CZ3 . TRP A 1 41 ? 12.108 0.151 16.430 1.00 95.57 41 A 1 ATOM 333 C CH2 . TRP A 1 41 ? 11.421 -0.687 17.325 1.00 95.29 41 A 1 ATOM 334 N N . LEU A 1 42 ? 19.666 0.670 15.802 1.00 97.52 42 A 1 ATOM 335 C CA . LEU A 1 42 ? 20.577 1.292 14.841 1.00 97.20 42 A 1 ATOM 336 C C . LEU A 1 42 ? 22.033 0.843 15.030 1.00 97.28 42 A 1 ATOM 337 O O . LEU A 1 42 ? 22.691 0.508 14.049 1.00 96.55 42 A 1 ATOM 338 C CB . LEU A 1 42 ? 20.437 2.821 14.937 1.00 97.33 42 A 1 ATOM 339 C CG . LEU A 1 42 ? 19.054 3.375 14.533 1.00 97.06 42 A 1 ATOM 340 C CD1 . LEU A 1 42 ? 19.029 4.892 14.728 1.00 94.92 42 A 1 ATOM 341 C CD2 . LEU A 1 42 ? 18.689 3.073 13.079 1.00 95.03 42 A 1 ATOM 342 N N . TYR A 1 43 ? 22.518 0.775 16.276 1.00 97.10 43 A 1 ATOM 343 C CA . TYR A 1 43 ? 23.956 0.705 16.565 1.00 96.91 43 A 1 ATOM 344 C C . TYR A 1 43 ? 24.408 -0.573 17.280 1.00 97.19 43 A 1 ATOM 345 O O . TYR A 1 43 ? 25.576 -0.937 17.182 1.00 95.54 43 A 1 ATOM 346 C CB . TYR A 1 43 ? 24.352 1.948 17.368 1.00 96.42 43 A 1 ATOM 347 C CG . TYR A 1 43 ? 23.904 3.261 16.739 1.00 96.45 43 A 1 ATOM 348 C CD1 . TYR A 1 43 ? 24.356 3.622 15.455 1.00 92.82 43 A 1 ATOM 349 C CD2 . TYR A 1 43 ? 23.017 4.114 17.429 1.00 93.55 43 A 1 ATOM 350 C CE1 . TYR A 1 43 ? 23.927 4.828 14.862 1.00 92.55 43 A 1 ATOM 351 C CE2 . TYR A 1 43 ? 22.588 5.320 16.840 1.00 92.87 43 A 1 ATOM 352 C CZ . TYR A 1 43 ? 23.044 5.676 15.557 1.00 93.97 43 A 1 ATOM 353 O OH . TYR A 1 43 ? 22.634 6.836 14.988 1.00 92.07 43 A 1 ATOM 354 N N . VAL A 1 44 ? 23.528 -1.298 17.977 1.00 96.89 44 A 1 ATOM 355 C CA . VAL A 1 44 ? 23.926 -2.489 18.747 1.00 97.11 44 A 1 ATOM 356 C C . VAL A 1 44 ? 23.734 -3.751 17.904 1.00 97.20 44 A 1 ATOM 357 O O . VAL A 1 44 ? 22.624 -4.042 17.464 1.00 96.31 44 A 1 ATOM 358 C CB . VAL A 1 44 ? 23.179 -2.570 20.087 1.00 96.83 44 A 1 ATOM 359 C CG1 . VAL A 1 44 ? 23.682 -3.751 20.921 1.00 94.58 44 A 1 ATOM 360 C CG2 . VAL A 1 44 ? 23.372 -1.295 20.918 1.00 94.42 44 A 1 ATOM 361 N N . ALA A 1 45 ? 24.804 -4.516 17.686 1.00 96.47 45 A 1 ATOM 362 C CA . ALA A 1 45 ? 24.830 -5.627 16.726 1.00 96.03 45 A 1 ATOM 363 C C . ALA A 1 45 ? 23.783 -6.725 17.006 1.00 95.93 45 A 1 ATOM 364 O O . ALA A 1 45 ? 23.122 -7.191 16.075 1.00 93.15 45 A 1 ATOM 365 C CB . ALA A 1 45 ? 26.248 -6.207 16.694 1.00 94.79 45 A 1 ATOM 366 N N . ASP A 1 46 ? 23.588 -7.085 18.274 1.00 96.15 46 A 1 ATOM 367 C CA . ASP A 1 46 ? 22.685 -8.151 18.740 1.00 95.86 46 A 1 ATOM 368 C C . ASP A 1 46 ? 21.252 -7.664 19.055 1.00 96.49 46 A 1 ATOM 369 O O . ASP A 1 46 ? 20.420 -8.427 19.563 1.00 93.62 46 A 1 ATOM 370 C CB . ASP A 1 46 ? 23.320 -8.839 19.969 1.00 93.42 46 A 1 ATOM 371 C CG . ASP A 1 46 ? 23.244 -7.957 21.222 1.00 86.09 46 A 1 ATOM 372 O OD1 . ASP A 1 46 ? 23.459 -6.735 21.080 1.00 79.11 46 A 1 ATOM 373 O OD2 . ASP A 1 46 ? 22.855 -8.460 22.300 1.00 79.91 46 A 1 ATOM 374 N N . ARG A 1 47 ? 20.937 -6.401 18.757 1.00 96.29 47 A 1 ATOM 375 C CA . ARG A 1 47 ? 19.591 -5.830 18.930 1.00 96.74 47 A 1 ATOM 376 C C . ARG A 1 47 ? 18.952 -5.551 17.575 1.00 97.28 47 A 1 ATOM 377 O O . ARG A 1 47 ? 19.582 -4.985 16.682 1.00 95.83 47 A 1 ATOM 378 C CB . ARG A 1 47 ? 19.633 -4.583 19.819 1.00 96.41 47 A 1 ATOM 379 C CG . ARG A 1 47 ? 20.254 -4.826 21.203 1.00 94.52 47 A 1 ATOM 380 C CD . ARG A 1 47 ? 19.510 -5.892 22.020 1.00 90.74 47 A 1 ATOM 381 N NE . ARG A 1 47 ? 20.231 -6.172 23.266 1.00 85.61 47 A 1 ATOM 382 C CZ . ARG A 1 47 ? 19.924 -7.093 24.160 1.00 79.47 47 A 1 ATOM 383 N NH1 . ARG A 1 47 ? 18.863 -7.830 24.057 1.00 72.89 47 A 1 ATOM 384 N NH2 . ARG A 1 47 ? 20.720 -7.300 25.170 1.00 71.95 47 A 1 ATOM 385 N N . TYR A 1 48 ? 17.693 -5.930 17.429 1.00 97.20 48 A 1 ATOM 386 C CA . TYR A 1 48 ? 16.996 -5.981 16.143 1.00 97.29 48 A 1 ATOM 387 C C . TYR A 1 48 ? 15.669 -5.220 16.197 1.00 97.46 48 A 1 ATOM 388 O O . TYR A 1 48 ? 14.941 -5.352 17.184 1.00 96.32 48 A 1 ATOM 389 C CB . TYR A 1 48 ? 16.775 -7.448 15.742 1.00 96.69 48 A 1 ATOM 390 C CG . TYR A 1 48 ? 18.030 -8.307 15.804 1.00 97.01 48 A 1 ATOM 391 C CD1 . TYR A 1 48 ? 18.947 -8.301 14.738 1.00 94.28 48 A 1 ATOM 392 C CD2 . TYR A 1 48 ? 18.301 -9.079 16.952 1.00 94.74 48 A 1 ATOM 393 C CE1 . TYR A 1 48 ? 20.131 -9.060 14.813 1.00 93.67 48 A 1 ATOM 394 C CE2 . TYR A 1 48 ? 19.487 -9.837 17.035 1.00 94.01 48 A 1 ATOM 395 C CZ . TYR A 1 48 ? 20.403 -9.827 15.964 1.00 95.03 48 A 1 ATOM 396 O OH . TYR A 1 48 ? 21.552 -10.551 16.041 1.00 93.14 48 A 1 ATOM 397 N N . PRO A 1 49 ? 15.321 -4.450 15.145 1.00 98.01 49 A 1 ATOM 398 C CA . PRO A 1 49 ? 13.967 -3.934 14.997 1.00 97.99 49 A 1 ATOM 399 C C . PRO A 1 49 ? 12.979 -5.096 14.832 1.00 98.03 49 A 1 ATOM 400 O O . PRO A 1 49 ? 13.310 -6.158 14.295 1.00 97.55 49 A 1 ATOM 401 C CB . PRO A 1 49 ? 13.998 -3.025 13.766 1.00 97.64 49 A 1 ATOM 402 C CG . PRO A 1 49 ? 15.110 -3.643 12.919 1.00 95.94 49 A 1 ATOM 403 C CD . PRO A 1 49 ? 16.103 -4.169 13.951 1.00 97.77 49 A 1 ATOM 404 N N . THR A 1 50 ? 11.748 -4.886 15.287 1.00 97.22 50 A 1 ATOM 405 C CA . THR A 1 50 ? 10.669 -5.859 15.089 1.00 97.09 50 A 1 ATOM 406 C C . THR A 1 50 ? 10.181 -5.836 13.638 1.00 97.43 50 A 1 ATOM 407 O O . THR A 1 50 ? 10.326 -4.832 12.935 1.00 97.00 50 A 1 ATOM 408 C CB . THR A 1 50 ? 9.503 -5.609 16.057 1.00 96.28 50 A 1 ATOM 409 O OG1 . THR A 1 50 ? 8.898 -4.363 15.806 1.00 94.66 50 A 1 ATOM 410 C CG2 . THR A 1 50 ? 9.936 -5.620 17.523 1.00 93.47 50 A 1 ATOM 411 N N . PHE A 1 51 ? 9.527 -6.905 13.189 1.00 96.57 51 A 1 ATOM 412 C CA . PHE A 1 51 ? 8.856 -6.908 11.883 1.00 96.58 51 A 1 ATOM 413 C C . PHE A 1 51 ? 7.829 -5.767 11.772 1.00 96.96 51 A 1 ATOM 414 O O . PHE A 1 51 ? 7.745 -5.109 10.739 1.00 96.61 51 A 1 ATOM 415 C CB . PHE A 1 51 ? 8.183 -8.265 11.646 1.00 95.95 51 A 1 ATOM 416 C CG . PHE A 1 51 ? 7.507 -8.344 10.291 1.00 95.75 51 A 1 ATOM 417 C CD1 . PHE A 1 51 ? 6.131 -8.058 10.159 1.00 92.74 51 A 1 ATOM 418 C CD2 . PHE A 1 51 ? 8.267 -8.649 9.149 1.00 93.13 51 A 1 ATOM 419 C CE1 . PHE A 1 51 ? 5.523 -8.078 8.890 1.00 92.03 51 A 1 ATOM 420 C CE2 . PHE A 1 51 ? 7.656 -8.669 7.881 1.00 92.06 51 A 1 ATOM 421 C CZ . PHE A 1 51 ? 6.284 -8.384 7.752 1.00 93.78 51 A 1 ATOM 422 N N . ARG A 1 52 ? 7.105 -5.475 12.862 1.00 96.50 52 A 1 ATOM 423 C CA . ARG A 1 52 ? 6.190 -4.331 12.956 1.00 96.89 52 A 1 ATOM 424 C C . ARG A 1 52 ? 6.901 -3.012 12.644 1.00 97.23 52 A 1 ATOM 425 O O . ARG A 1 52 ? 6.402 -2.257 11.819 1.00 96.87 52 A 1 ATOM 426 C CB . ARG A 1 52 ? 5.528 -4.321 14.341 1.00 96.33 52 A 1 ATOM 427 C CG . ARG A 1 52 ? 4.592 -3.116 14.502 1.00 90.44 52 A 1 ATOM 428 C CD . ARG A 1 52 ? 3.906 -3.120 15.866 1.00 87.38 52 A 1 ATOM 429 N NE . ARG A 1 52 ? 3.156 -1.872 16.045 1.00 77.60 52 A 1 ATOM 430 C CZ . ARG A 1 52 ? 2.272 -1.590 16.983 1.00 71.44 52 A 1 ATOM 431 N NH1 . ARG A 1 52 ? 1.953 -2.440 17.928 1.00 65.55 52 A 1 ATOM 432 N NH2 . ARG A 1 52 ? 1.699 -0.426 16.980 1.00 62.64 52 A 1 ATOM 433 N N . ALA A 1 53 ? 8.079 -2.765 13.217 1.00 97.53 53 A 1 ATOM 434 C CA . ALA A 1 53 ? 8.860 -1.558 12.933 1.00 97.81 53 A 1 ATOM 435 C C . ALA A 1 53 ? 9.300 -1.489 11.456 1.00 98.00 53 A 1 ATOM 436 O O . ALA A 1 53 ? 9.223 -0.431 10.829 1.00 97.84 53 A 1 ATOM 437 C CB . ALA A 1 53 ? 10.062 -1.516 13.889 1.00 97.89 53 A 1 ATOM 438 N N . CYS A 1 54 ? 9.698 -2.615 10.857 1.00 97.62 54 A 1 ATOM 439 C CA . CYS A 1 54 ? 9.996 -2.683 9.423 1.00 97.43 54 A 1 ATOM 440 C C . CYS A 1 54 ? 8.769 -2.338 8.563 1.00 97.29 54 A 1 ATOM 441 O O . CYS A 1 54 ? 8.876 -1.566 7.610 1.00 96.82 54 A 1 ATOM 442 C CB . CYS A 1 54 ? 10.518 -4.089 9.073 1.00 97.51 54 A 1 ATOM 443 S SG . CYS A 1 54 ? 12.094 -4.414 9.922 1.00 97.08 54 A 1 ATOM 444 N N . TRP A 1 55 ? 7.594 -2.869 8.922 1.00 97.41 55 A 1 ATOM 445 C CA . TRP A 1 55 ? 6.335 -2.587 8.226 1.00 96.87 55 A 1 ATOM 446 C C . TRP A 1 55 ? 5.906 -1.121 8.374 1.00 96.77 55 A 1 ATOM 447 O O . TRP A 1 55 ? 5.548 -0.484 7.383 1.00 96.28 55 A 1 ATOM 448 C CB . TRP A 1 55 ? 5.260 -3.548 8.735 1.00 95.90 55 A 1 ATOM 449 C CG . TRP A 1 55 ? 3.923 -3.349 8.104 1.00 92.36 55 A 1 ATOM 450 C CD1 . TRP A 1 55 ? 3.496 -3.924 6.955 1.00 84.40 55 A 1 ATOM 451 C CD2 . TRP A 1 55 ? 2.825 -2.493 8.548 1.00 87.79 55 A 1 ATOM 452 N NE1 . TRP A 1 55 ? 2.220 -3.490 6.656 1.00 80.35 55 A 1 ATOM 453 C CE2 . TRP A 1 55 ? 1.756 -2.604 7.607 1.00 86.12 55 A 1 ATOM 454 C CE3 . TRP A 1 55 ? 2.623 -1.631 9.649 1.00 80.86 55 A 1 ATOM 455 C CZ2 . TRP A 1 55 ? 0.549 -1.899 7.753 1.00 83.10 55 A 1 ATOM 456 C CZ3 . TRP A 1 55 ? 1.415 -0.919 9.801 1.00 77.18 55 A 1 ATOM 457 C CH2 . TRP A 1 55 ? 0.381 -1.053 8.859 1.00 76.48 55 A 1 ATOM 458 N N . GLU A 1 56 ? 5.997 -0.550 9.574 1.00 96.49 56 A 1 ATOM 459 C CA . GLU A 1 56 ? 5.689 0.863 9.847 1.00 96.42 56 A 1 ATOM 460 C C . GLU A 1 56 ? 6.593 1.805 9.026 1.00 96.36 56 A 1 ATOM 461 O O . GLU A 1 56 ? 6.096 2.732 8.379 1.00 95.96 56 A 1 ATOM 462 C CB . GLU A 1 56 ? 5.850 1.140 11.355 1.00 96.73 56 A 1 ATOM 463 C CG . GLU A 1 56 ? 4.711 0.542 12.204 1.00 95.97 56 A 1 ATOM 464 C CD . GLU A 1 56 ? 5.003 0.508 13.718 1.00 95.87 56 A 1 ATOM 465 O OE1 . GLU A 1 56 ? 4.061 0.195 14.491 1.00 90.15 56 A 1 ATOM 466 O OE2 . GLU A 1 56 ? 6.176 0.712 14.114 1.00 91.58 56 A 1 ATOM 467 N N . LEU A 1 57 ? 7.901 1.520 8.973 1.00 97.18 57 A 1 ATOM 468 C CA . LEU A 1 57 ? 8.855 2.262 8.146 1.00 97.06 57 A 1 ATOM 469 C C . LEU A 1 57 ? 8.496 2.175 6.657 1.00 96.75 57 A 1 ATOM 470 O O . LEU A 1 57 ? 8.443 3.200 5.972 1.00 96.43 57 A 1 ATOM 471 C CB . LEU A 1 57 ? 10.277 1.731 8.419 1.00 97.52 57 A 1 ATOM 472 C CG . LEU A 1 57 ? 11.378 2.427 7.593 1.00 97.01 57 A 1 ATOM 473 C CD1 . LEU A 1 57 ? 11.452 3.930 7.863 1.00 92.99 57 A 1 ATOM 474 C CD2 . LEU A 1 57 ? 12.736 1.817 7.926 1.00 93.68 57 A 1 ATOM 475 N N . TRP A 1 58 ? 8.211 0.973 6.158 1.00 97.11 58 A 1 ATOM 476 C CA . TRP A 1 58 ? 7.812 0.750 4.765 1.00 96.06 58 A 1 ATOM 477 C C . TRP A 1 58 ? 6.541 1.524 4.399 1.00 95.58 58 A 1 ATOM 478 O O . TRP A 1 58 ? 6.509 2.230 3.384 1.00 94.41 58 A 1 ATOM 479 C CB . TRP A 1 58 ? 7.631 -0.749 4.540 1.00 95.23 58 A 1 ATOM 480 C CG . TRP A 1 58 ? 7.192 -1.140 3.164 1.00 93.74 58 A 1 ATOM 481 C CD1 . TRP A 1 58 ? 8.005 -1.299 2.099 1.00 89.40 58 A 1 ATOM 482 C CD2 . TRP A 1 58 ? 5.848 -1.478 2.701 1.00 91.48 58 A 1 ATOM 483 N NE1 . TRP A 1 58 ? 7.270 -1.741 1.013 1.00 87.92 58 A 1 ATOM 484 C CE2 . TRP A 1 58 ? 5.939 -1.886 1.335 1.00 90.46 58 A 1 ATOM 485 C CE3 . TRP A 1 58 ? 4.575 -1.522 3.308 1.00 88.09 58 A 1 ATOM 486 C CZ2 . TRP A 1 58 ? 4.830 -2.361 0.617 1.00 87.50 58 A 1 ATOM 487 C CZ3 . TRP A 1 58 ? 3.454 -1.979 2.594 1.00 84.52 58 A 1 ATOM 488 C CH2 . TRP A 1 58 ? 3.584 -2.411 1.256 1.00 84.20 58 A 1 ATOM 489 N N . MET A 1 59 ? 5.510 1.467 5.247 1.00 94.68 59 A 1 ATOM 490 C CA . MET A 1 59 ? 4.261 2.215 5.063 1.00 93.34 59 A 1 ATOM 491 C C . MET A 1 59 ? 4.485 3.729 5.060 1.00 92.98 59 A 1 ATOM 492 O O . MET A 1 59 ? 3.909 4.441 4.232 1.00 92.13 59 A 1 ATOM 493 C CB . MET A 1 59 ? 3.267 1.831 6.170 1.00 92.25 59 A 1 ATOM 494 C CG . MET A 1 59 ? 2.631 0.463 5.915 1.00 82.51 59 A 1 ATOM 495 S SD . MET A 1 59 ? 1.657 0.358 4.376 1.00 76.66 59 A 1 ATOM 496 C CE . MET A 1 59 ? 0.264 1.449 4.778 1.00 66.99 59 A 1 ATOM 497 N N . PHE A 1 60 ? 5.346 4.234 5.939 1.00 95.46 60 A 1 ATOM 498 C CA . PHE A 1 60 ? 5.688 5.654 5.997 1.00 95.31 60 A 1 ATOM 499 C C . PHE A 1 60 ? 6.433 6.119 4.739 1.00 95.25 60 A 1 ATOM 500 O O . PHE A 1 60 ? 6.070 7.133 4.138 1.00 94.44 60 A 1 ATOM 501 C CB . PHE A 1 60 ? 6.497 5.917 7.266 1.00 95.86 60 A 1 ATOM 502 C CG . PHE A 1 60 ? 6.743 7.393 7.506 1.00 96.08 60 A 1 ATOM 503 C CD1 . PHE A 1 60 ? 7.947 7.989 7.090 1.00 91.08 60 A 1 ATOM 504 C CD2 . PHE A 1 60 ? 5.762 8.171 8.149 1.00 92.13 60 A 1 ATOM 505 C CE1 . PHE A 1 60 ? 8.175 9.355 7.337 1.00 91.62 60 A 1 ATOM 506 C CE2 . PHE A 1 60 ? 5.992 9.533 8.395 1.00 92.14 60 A 1 ATOM 507 C CZ . PHE A 1 60 ? 7.202 10.127 7.995 1.00 94.70 60 A 1 ATOM 508 N N . GLN A 1 61 ? 7.427 5.358 4.290 1.00 94.72 61 A 1 ATOM 509 C CA . GLN A 1 61 ? 8.171 5.655 3.063 1.00 93.37 61 A 1 ATOM 510 C C . GLN A 1 61 ? 7.266 5.620 1.820 1.00 92.37 61 A 1 ATOM 511 O O . GLN A 1 61 ? 7.342 6.527 0.987 1.00 91.56 61 A 1 ATOM 512 C CB . GLN A 1 61 ? 9.343 4.671 2.918 1.00 93.92 61 A 1 ATOM 513 C CG . GLN A 1 61 ? 10.482 4.976 3.901 1.00 93.45 61 A 1 ATOM 514 C CD . GLN A 1 61 ? 11.673 4.031 3.736 1.00 92.57 61 A 1 ATOM 515 O OE1 . GLN A 1 61 ? 11.581 2.938 3.200 1.00 89.05 61 A 1 ATOM 516 N NE2 . GLN A 1 61 ? 12.843 4.425 4.188 1.00 86.57 61 A 1 ATOM 517 N N . ARG A 1 62 ? 6.359 4.653 1.718 1.00 89.86 62 A 1 ATOM 518 C CA . ARG A 1 62 ? 5.346 4.606 0.648 1.00 88.31 62 A 1 ATOM 519 C C . ARG A 1 62 ? 4.458 5.846 0.634 1.00 89.48 62 A 1 ATOM 520 O O . ARG A 1 62 ? 4.257 6.428 -0.430 1.00 87.40 62 A 1 ATOM 521 C CB . ARG A 1 62 ? 4.467 3.356 0.771 1.00 86.87 62 A 1 ATOM 522 C CG . ARG A 1 62 ? 5.181 2.103 0.273 1.00 79.20 62 A 1 ATOM 523 C CD . ARG A 1 62 ? 4.207 0.929 0.103 1.00 76.14 62 A 1 ATOM 524 N NE . ARG A 1 62 ? 3.309 1.116 -1.055 1.00 68.57 62 A 1 ATOM 525 C CZ . ARG A 1 62 ? 2.429 0.236 -1.509 1.00 62.03 62 A 1 ATOM 526 N NH1 . ARG A 1 62 ? 2.252 -0.919 -0.938 1.00 57.72 62 A 1 ATOM 527 N NH2 . ARG A 1 62 ? 1.705 0.498 -2.557 1.00 54.62 62 A 1 ATOM 528 N N . LYS A 1 63 ? 3.956 6.277 1.794 1.00 88.15 63 A 1 ATOM 529 C CA . LYS A 1 63 ? 3.156 7.510 1.907 1.00 86.79 63 A 1 ATOM 530 C C . LYS A 1 63 ? 3.914 8.750 1.446 1.00 88.49 63 A 1 ATOM 531 O O . LYS A 1 63 ? 3.340 9.587 0.763 1.00 85.60 63 A 1 ATOM 532 C CB . LYS A 1 63 ? 2.680 7.709 3.348 1.00 86.89 63 A 1 ATOM 533 C CG . LYS A 1 63 ? 1.296 7.099 3.575 1.00 80.72 63 A 1 ATOM 534 C CD . LYS A 1 63 ? 0.738 7.583 4.914 1.00 76.29 63 A 1 ATOM 535 C CE . LYS A 1 63 ? -0.743 7.227 5.026 1.00 70.01 63 A 1 ATOM 536 N NZ . LYS A 1 63 ? -1.365 7.907 6.182 1.00 61.33 63 A 1 ATOM 537 N N . ARG A 1 64 ? 5.197 8.847 1.771 1.00 90.65 64 A 1 ATOM 538 C CA . ARG A 1 64 ? 6.066 9.946 1.320 1.00 90.42 64 A 1 ATOM 539 C C . ARG A 1 64 ? 6.470 9.851 -0.151 1.00 91.56 64 A 1 ATOM 540 O O . ARG A 1 64 ? 7.093 10.786 -0.648 1.00 88.80 64 A 1 ATOM 541 C CB . ARG A 1 64 ? 7.309 10.026 2.216 1.00 90.69 64 A 1 ATOM 542 C CG . ARG A 1 64 ? 6.976 10.543 3.618 1.00 86.02 64 A 1 ATOM 543 C CD . ARG A 1 64 ? 8.257 10.737 4.450 1.00 84.59 64 A 1 ATOM 544 N NE . ARG A 1 64 ? 9.111 11.818 3.918 1.00 77.75 64 A 1 ATOM 545 C CZ . ARG A 1 64 ? 10.423 11.940 4.082 1.00 74.00 64 A 1 ATOM 546 N NH1 . ARG A 1 64 ? 11.122 11.078 4.752 1.00 69.08 64 A 1 ATOM 547 N NH2 . ARG A 1 64 ? 11.068 12.946 3.564 1.00 64.00 64 A 1 ATOM 548 N N . ARG A 1 65 ? 6.163 8.750 -0.848 1.00 87.57 65 A 1 ATOM 549 C CA . ARG A 1 65 ? 6.560 8.477 -2.240 1.00 89.15 65 A 1 ATOM 550 C C . ARG A 1 65 ? 8.081 8.572 -2.459 1.00 91.04 65 A 1 ATOM 551 O O . ARG A 1 65 ? 8.529 8.986 -3.518 1.00 85.80 65 A 1 ATOM 552 C CB . ARG A 1 65 ? 5.760 9.356 -3.223 1.00 88.34 65 A 1 ATOM 553 C CG . ARG A 1 65 ? 4.237 9.208 -3.101 1.00 84.22 65 A 1 ATOM 554 C CD . ARG A 1 65 ? 3.546 10.095 -4.142 1.00 78.28 65 A 1 ATOM 555 N NE . ARG A 1 65 ? 2.073 9.971 -4.107 1.00 69.57 65 A 1 ATOM 556 C CZ . ARG A 1 65 ? 1.209 10.592 -4.899 1.00 60.97 65 A 1 ATOM 557 N NH1 . ARG A 1 65 ? 1.591 11.418 -5.828 1.00 55.86 65 A 1 ATOM 558 N NH2 . ARG A 1 65 ? -0.073 10.389 -4.771 1.00 52.64 65 A 1 ATOM 559 N N . VAL A 1 66 ? 8.868 8.194 -1.455 1.00 91.37 66 A 1 ATOM 560 C CA . VAL A 1 66 ? 10.330 8.106 -1.558 1.00 91.27 66 A 1 ATOM 561 C C . VAL A 1 66 ? 10.754 6.741 -2.103 1.00 91.70 66 A 1 ATOM 562 O O . VAL A 1 66 ? 9.968 5.787 -2.099 1.00 89.14 66 A 1 ATOM 563 C CB . VAL A 1 66 ? 11.033 8.421 -0.223 1.00 91.40 66 A 1 ATOM 564 C CG1 . VAL A 1 66 ? 10.748 9.861 0.214 1.00 86.01 66 A 1 ATOM 565 C CG2 . VAL A 1 66 ? 10.639 7.462 0.902 1.00 83.72 66 A 1 ATOM 566 N N . LEU A 1 67 ? 12.003 6.637 -2.558 1.00 91.82 67 A 1 ATOM 567 C CA . LEU A 1 67 ? 12.583 5.365 -2.983 1.00 91.57 67 A 1 ATOM 568 C C . LEU A 1 67 ? 12.605 4.374 -1.808 1.00 91.89 67 A 1 ATOM 569 O O . LEU A 1 67 ? 13.063 4.697 -0.716 1.00 90.00 67 A 1 ATOM 570 C CB . LEU A 1 67 ? 13.989 5.618 -3.559 1.00 90.79 67 A 1 ATOM 571 C CG . LEU A 1 67 ? 14.657 4.369 -4.168 1.00 81.36 67 A 1 ATOM 572 C CD1 . LEU A 1 67 ? 13.894 3.844 -5.386 1.00 74.73 67 A 1 ATOM 573 C CD2 . LEU A 1 67 ? 16.078 4.714 -4.613 1.00 75.21 67 A 1 ATOM 574 N N . ILE A 1 68 ? 12.101 3.166 -2.032 1.00 92.11 68 A 1 ATOM 575 C CA . ILE A 1 68 ? 12.032 2.106 -1.019 1.00 91.63 68 A 1 ATOM 576 C C . ILE A 1 68 ? 13.175 1.126 -1.254 1.00 92.34 68 A 1 ATOM 577 O O . ILE A 1 68 ? 13.390 0.671 -2.377 1.00 90.90 68 A 1 ATOM 578 C CB . ILE A 1 68 ? 10.653 1.410 -1.032 1.00 90.48 68 A 1 ATOM 579 C CG1 . ILE A 1 68 ? 9.538 2.437 -0.739 1.00 87.69 68 A 1 ATOM 580 C CG2 . ILE A 1 68 ? 10.595 0.263 -0.002 1.00 86.13 68 A 1 ATOM 581 C CD1 . ILE A 1 68 ? 8.131 1.869 -0.888 1.00 79.53 68 A 1 ATOM 582 N N . SER A 1 69 ? 13.874 0.751 -0.178 1.00 93.69 69 A 1 ATOM 583 C CA . SER A 1 69 ? 14.864 -0.324 -0.210 1.00 93.78 69 A 1 ATOM 584 C C . SER A 1 69 ? 14.247 -1.615 -0.749 1.00 94.07 69 A 1 ATOM 585 O O . SER A 1 69 ? 13.208 -2.079 -0.264 1.00 92.93 69 A 1 ATOM 586 C CB . SER A 1 69 ? 15.425 -0.573 1.191 1.00 92.83 69 A 1 ATOM 587 O OG . SER A 1 69 ? 16.104 -1.817 1.233 1.00 88.67 69 A 1 ATOM 588 N N . ARG A 1 70 ? 14.939 -2.245 -1.701 1.00 92.79 70 A 1 ATOM 589 C CA . ARG A 1 70 ? 14.552 -3.560 -2.223 1.00 93.36 70 A 1 ATOM 590 C C . ARG A 1 70 ? 14.517 -4.615 -1.117 1.00 94.14 70 A 1 ATOM 591 O O . ARG A 1 70 ? 13.607 -5.439 -1.119 1.00 92.84 70 A 1 ATOM 592 C CB . ARG A 1 70 ? 15.491 -3.955 -3.371 1.00 93.05 70 A 1 ATOM 593 C CG . ARG A 1 70 ? 15.050 -5.263 -4.051 1.00 85.02 70 A 1 ATOM 594 C CD . ARG A 1 70 ? 15.936 -5.576 -5.260 1.00 79.41 70 A 1 ATOM 595 N NE . ARG A 1 70 ? 15.534 -6.832 -5.926 1.00 68.14 70 A 1 ATOM 596 C CZ . ARG A 1 70 ? 16.060 -7.350 -7.026 1.00 59.36 70 A 1 ATOM 597 N NH1 . ARG A 1 70 ? 17.037 -6.770 -7.662 1.00 53.42 70 A 1 ATOM 598 N NH2 . ARG A 1 70 ? 15.610 -8.469 -7.514 1.00 51.24 70 A 1 ATOM 599 N N . LYS A 1 71 ? 15.451 -4.571 -0.160 1.00 94.37 71 A 1 ATOM 600 C CA . LYS A 1 71 ? 15.488 -5.507 0.975 1.00 94.95 71 A 1 ATOM 601 C C . LYS A 1 71 ? 14.239 -5.373 1.842 1.00 95.78 71 A 1 ATOM 602 O O . LYS A 1 71 ? 13.581 -6.376 2.122 1.00 95.18 71 A 1 ATOM 603 C CB . LYS A 1 71 ? 16.756 -5.294 1.820 1.00 95.58 71 A 1 ATOM 604 C CG . LYS A 1 71 ? 18.046 -5.608 1.049 1.00 95.21 71 A 1 ATOM 605 C CD . LYS A 1 71 ? 19.276 -5.434 1.954 1.00 92.59 71 A 1 ATOM 606 C CE . LYS A 1 71 ? 20.550 -5.700 1.146 1.00 89.04 71 A 1 ATOM 607 N NZ . LYS A 1 71 ? 21.770 -5.445 1.942 1.00 81.11 71 A 1 ATOM 608 N N . LEU A 1 72 ? 13.863 -4.148 2.197 1.00 95.49 72 A 1 ATOM 609 C CA . LEU A 1 72 ? 12.649 -3.894 2.974 1.00 95.37 72 A 1 ATOM 610 C C . LEU A 1 72 ? 11.387 -4.298 2.200 1.00 95.13 72 A 1 ATOM 611 O O . LEU A 1 72 ? 10.498 -4.939 2.750 1.00 94.53 72 A 1 ATOM 612 C CB . LEU A 1 72 ? 12.613 -2.411 3.388 1.00 95.97 72 A 1 ATOM 613 C CG . LEU A 1 72 ? 11.443 -2.072 4.332 1.00 95.40 72 A 1 ATOM 614 C CD1 . LEU A 1 72 ? 11.542 -2.813 5.666 1.00 90.07 72 A 1 ATOM 615 C CD2 . LEU A 1 72 ? 11.416 -0.576 4.622 1.00 90.76 72 A 1 ATOM 616 N N . HIS A 1 73 ? 11.321 -3.972 0.909 1.00 95.37 73 A 1 ATOM 617 C CA . HIS A 1 73 ? 10.195 -4.343 0.055 1.00 94.02 73 A 1 ATOM 618 C C . HIS A 1 73 ? 10.006 -5.863 -0.030 1.00 94.11 73 A 1 ATOM 619 O O . HIS A 1 73 ? 8.892 -6.353 0.142 1.00 93.50 73 A 1 ATOM 620 C CB . HIS A 1 73 ? 10.408 -3.734 -1.330 1.00 92.54 73 A 1 ATOM 621 C CG . HIS A 1 73 ? 9.253 -3.977 -2.264 1.00 90.00 73 A 1 ATOM 622 N ND1 . HIS A 1 73 ? 8.040 -3.328 -2.235 1.00 79.87 73 A 1 ATOM 623 C CD2 . HIS A 1 73 ? 9.225 -4.850 -3.316 1.00 78.86 73 A 1 ATOM 624 C CE1 . HIS A 1 73 ? 7.302 -3.793 -3.260 1.00 78.50 73 A 1 ATOM 625 N NE2 . HIS A 1 73 ? 7.981 -4.718 -3.947 1.00 80.28 73 A 1 ATOM 626 N N . VAL A 1 74 ? 11.095 -6.623 -0.255 1.00 93.78 74 A 1 ATOM 627 C CA . VAL A 1 74 ? 11.066 -8.094 -0.312 1.00 93.59 74 A 1 ATOM 628 C C . VAL A 1 74 ? 10.657 -8.693 1.030 1.00 94.02 74 A 1 ATOM 629 O O . VAL A 1 74 ? 9.810 -9.582 1.047 1.00 93.25 74 A 1 ATOM 630 C CB . VAL A 1 74 ? 12.422 -8.645 -0.789 1.00 93.89 74 A 1 ATOM 631 C CG1 . VAL A 1 74 ? 12.544 -10.168 -0.627 1.00 91.19 74 A 1 ATOM 632 C CG2 . VAL A 1 74 ? 12.625 -8.336 -2.282 1.00 90.65 74 A 1 ATOM 633 N N . LEU A 1 75 ? 11.202 -8.187 2.145 1.00 94.87 75 A 1 ATOM 634 C CA . LEU A 1 75 ? 10.851 -8.648 3.494 1.00 94.76 75 A 1 ATOM 635 C C . LEU A 1 75 ? 9.339 -8.543 3.756 1.00 94.97 75 A 1 ATOM 636 O O . LEU A 1 75 ? 8.715 -9.511 4.197 1.00 94.07 75 A 1 ATOM 637 C CB . LEU A 1 75 ? 11.658 -7.816 4.513 1.00 95.27 75 A 1 ATOM 638 C CG . LEU A 1 75 ? 11.331 -8.120 5.987 1.00 94.76 75 A 1 ATOM 639 C CD1 . LEU A 1 75 ? 11.804 -9.510 6.397 1.00 90.84 75 A 1 ATOM 640 C CD2 . LEU A 1 75 ? 12.001 -7.090 6.889 1.00 90.57 75 A 1 ATOM 641 N N . ILE A 1 76 ? 8.741 -7.381 3.462 1.00 95.23 76 A 1 ATOM 642 C CA . ILE A 1 76 ? 7.309 -7.157 3.686 1.00 94.26 76 A 1 ATOM 643 C C . ILE A 1 76 ? 6.465 -8.005 2.728 1.00 93.56 76 A 1 ATOM 644 O O . ILE A 1 76 ? 5.575 -8.735 3.174 1.00 92.65 76 A 1 ATOM 645 C CB . ILE A 1 76 ? 6.970 -5.651 3.596 1.00 94.75 76 A 1 ATOM 646 C CG1 . ILE A 1 76 ? 7.737 -4.794 4.632 1.00 93.55 76 A 1 ATOM 647 C CG2 . ILE A 1 76 ? 5.455 -5.419 3.742 1.00 93.66 76 A 1 ATOM 648 C CD1 . ILE A 1 76 ? 7.584 -5.207 6.097 1.00 89.33 76 A 1 ATOM 649 N N . ASN A 1 77 ? 6.772 -7.979 1.430 1.00 92.58 77 A 1 ATOM 650 C CA . ASN A 1 77 ? 5.991 -8.699 0.425 1.00 91.04 77 A 1 ATOM 651 C C . ASN A 1 77 ? 6.041 -10.217 0.594 1.00 91.06 77 A 1 ATOM 652 O O . ASN A 1 77 ? 5.048 -10.873 0.303 1.00 89.93 77 A 1 ATOM 653 C CB . ASN A 1 77 ? 6.466 -8.314 -0.977 1.00 89.41 77 A 1 ATOM 654 C CG . ASN A 1 77 ? 5.982 -6.952 -1.422 1.00 83.11 77 A 1 ATOM 655 O OD1 . ASN A 1 77 ? 5.204 -6.258 -0.787 1.00 74.36 77 A 1 ATOM 656 N ND2 . ASN A 1 77 ? 6.420 -6.537 -2.585 1.00 71.53 77 A 1 ATOM 657 N N . ARG A 1 78 ? 7.144 -10.784 1.091 1.00 93.49 78 A 1 ATOM 658 C CA . ARG A 1 78 ? 7.219 -12.221 1.383 1.00 92.79 78 A 1 ATOM 659 C C . ARG A 1 78 ? 6.144 -12.637 2.391 1.00 93.67 78 A 1 ATOM 660 O O . ARG A 1 78 ? 5.472 -13.645 2.182 1.00 92.60 78 A 1 ATOM 661 C CB . ARG A 1 78 ? 8.630 -12.561 1.891 1.00 92.07 78 A 1 ATOM 662 C CG . ARG A 1 78 ? 8.843 -14.078 2.028 1.00 84.76 78 A 1 ATOM 663 C CD . ARG A 1 78 ? 10.174 -14.403 2.731 1.00 84.46 78 A 1 ATOM 664 N NE . ARG A 1 78 ? 11.351 -13.878 2.008 1.00 78.04 78 A 1 ATOM 665 C CZ . ARG A 1 78 ? 12.515 -13.544 2.560 1.00 75.66 78 A 1 ATOM 666 N NH1 . ARG A 1 78 ? 12.780 -13.740 3.810 1.00 68.26 78 A 1 ATOM 667 N NH2 . ARG A 1 78 ? 13.456 -12.987 1.869 1.00 67.13 78 A 1 ATOM 668 N N . SER A 1 79 ? 5.962 -11.857 3.450 1.00 91.84 79 A 1 ATOM 669 C CA . SER A 1 79 ? 4.913 -12.118 4.440 1.00 91.15 79 A 1 ATOM 670 C C . SER A 1 79 ? 3.515 -11.934 3.851 1.00 91.95 79 A 1 ATOM 671 O O . SER A 1 79 ? 2.663 -12.794 4.052 1.00 89.98 79 A 1 ATOM 672 C CB . SER A 1 79 ? 5.092 -11.224 5.666 1.00 89.68 79 A 1 ATOM 673 O OG . SER A 1 79 ? 6.297 -11.563 6.325 1.00 80.55 79 A 1 ATOM 674 N N . THR A 1 80 ? 3.298 -10.865 3.078 1.00 89.59 80 A 1 ATOM 675 C CA . THR A 1 80 ? 2.013 -10.609 2.409 1.00 88.08 80 A 1 ATOM 676 C C . THR A 1 80 ? 1.647 -11.733 1.437 1.00 88.75 80 A 1 ATOM 677 O O . THR A 1 80 ? 0.552 -12.279 1.531 1.00 87.98 80 A 1 ATOM 678 C CB . THR A 1 80 ? 2.043 -9.263 1.673 1.00 87.00 80 A 1 ATOM 679 O OG1 . THR A 1 80 ? 2.370 -8.227 2.575 1.00 81.56 80 A 1 ATOM 680 C CG2 . THR A 1 80 ? 0.697 -8.896 1.058 1.00 78.93 80 A 1 ATOM 681 N N . ASN A 1 81 ? 2.568 -12.137 0.558 1.00 87.89 81 A 1 ATOM 682 C CA . ASN A 1 81 ? 2.323 -13.194 -0.425 1.00 88.06 81 A 1 ATOM 683 C C . ASN A 1 81 ? 2.026 -14.529 0.256 1.00 88.53 81 A 1 ATOM 684 O O . ASN A 1 81 ? 1.041 -15.176 -0.078 1.00 87.63 81 A 1 ATOM 685 C CB . ASN A 1 81 ? 3.529 -13.312 -1.368 1.00 88.05 81 A 1 ATOM 686 C CG . ASN A 1 81 ? 3.706 -12.125 -2.298 1.00 84.97 81 A 1 ATOM 687 O OD1 . ASN A 1 81 ? 2.956 -11.162 -2.325 1.00 78.63 81 A 1 ATOM 688 N ND2 . ASN A 1 81 ? 4.738 -12.154 -3.106 1.00 76.48 81 A 1 ATOM 689 N N . ARG A 1 82 ? 2.797 -14.892 1.290 1.00 91.96 82 A 1 ATOM 690 C CA . ARG A 1 82 ? 2.534 -16.110 2.063 1.00 91.24 82 A 1 ATOM 691 C C . ARG A 1 82 ? 1.133 -16.117 2.681 1.00 91.77 82 A 1 ATOM 692 O O . ARG A 1 82 ? 0.490 -17.165 2.718 1.00 90.19 82 A 1 ATOM 693 C CB . ARG A 1 82 ? 3.626 -16.256 3.135 1.00 90.44 82 A 1 ATOM 694 C CG . ARG A 1 82 ? 3.386 -17.465 4.046 1.00 80.43 82 A 1 ATOM 695 C CD . ARG A 1 82 ? 4.471 -17.568 5.112 1.00 79.64 82 A 1 ATOM 696 N NE . ARG A 1 82 ? 3.972 -18.331 6.274 1.00 70.08 82 A 1 ATOM 697 C CZ . ARG A 1 82 ? 4.569 -18.466 7.442 1.00 65.39 82 A 1 ATOM 698 N NH1 . ARG A 1 82 ? 5.760 -17.991 7.660 1.00 59.97 82 A 1 ATOM 699 N NH2 . ARG A 1 82 ? 3.960 -19.079 8.422 1.00 55.06 82 A 1 ATOM 700 N N . THR A 1 83 ? 0.648 -14.986 3.190 1.00 91.97 83 A 1 ATOM 701 C CA . THR A 1 83 ? -0.712 -14.912 3.743 1.00 90.56 83 A 1 ATOM 702 C C . THR A 1 83 ? -1.784 -14.986 2.661 1.00 90.18 83 A 1 ATOM 703 O O . THR A 1 83 ? -2.802 -15.632 2.888 1.00 88.95 83 A 1 ATOM 704 C CB . THR A 1 83 ? -0.945 -13.667 4.612 1.00 89.53 83 A 1 ATOM 705 O OG1 . THR A 1 83 ? -0.569 -12.467 3.984 1.00 81.03 83 A 1 ATOM 706 C CG2 . THR A 1 83 ? -0.154 -13.752 5.917 1.00 79.94 83 A 1 ATOM 707 N N . ILE A 1 84 ? -1.553 -14.379 1.493 1.00 87.88 84 A 1 ATOM 708 C CA . ILE A 1 84 ? -2.458 -14.467 0.336 1.00 86.11 84 A 1 ATOM 709 C C . ILE A 1 84 ? -2.540 -15.917 -0.151 1.00 86.60 84 A 1 ATOM 710 O O . ILE A 1 84 ? -3.636 -16.461 -0.226 1.00 86.65 84 A 1 ATOM 711 C CB . ILE A 1 84 ? -2.016 -13.493 -0.783 1.00 85.29 84 A 1 ATOM 712 C CG1 . ILE A 1 84 ? -2.220 -12.029 -0.323 1.00 83.30 84 A 1 ATOM 713 C CG2 . ILE A 1 84 ? -2.793 -13.752 -2.087 1.00 83.62 84 A 1 ATOM 714 C CD1 . ILE A 1 84 ? -1.542 -10.992 -1.232 1.00 78.55 84 A 1 ATOM 715 N N . GLU A 1 85 ? -1.401 -16.568 -0.392 1.00 87.01 85 A 1 ATOM 716 C CA . GLU A 1 85 ? -1.343 -17.972 -0.826 1.00 87.50 85 A 1 ATOM 717 C C . GLU A 1 85 ? -2.039 -18.913 0.169 1.00 87.31 85 A 1 ATOM 718 O O . GLU A 1 85 ? -2.799 -19.801 -0.222 1.00 87.08 85 A 1 ATOM 719 C CB . GLU A 1 85 ? 0.127 -18.399 -0.956 1.00 88.15 85 A 1 ATOM 720 C CG . GLU A 1 85 ? 0.853 -17.790 -2.167 1.00 80.86 85 A 1 ATOM 721 C CD . GLU A 1 85 ? 2.380 -17.993 -2.105 1.00 79.32 85 A 1 ATOM 722 O OE1 . GLU A 1 85 ? 3.089 -17.307 -2.877 1.00 72.32 85 A 1 ATOM 723 O OE2 . GLU A 1 85 ? 2.854 -18.782 -1.250 1.00 73.99 85 A 1 ATOM 724 N N . ALA A 1 86 ? -1.812 -18.712 1.472 1.00 90.56 86 A 1 ATOM 725 C CA . ALA A 1 86 ? -2.482 -19.495 2.509 1.00 88.99 86 A 1 ATOM 726 C C . ALA A 1 86 ? -4.003 -19.276 2.496 1.00 88.20 86 A 1 ATOM 727 O O . ALA A 1 86 ? -4.758 -20.243 2.596 1.00 86.68 86 A 1 ATOM 728 C CB . ALA A 1 86 ? -1.875 -19.144 3.872 1.00 89.36 86 A 1 ATOM 729 N N . PHE A 1 87 ? -4.450 -18.032 2.333 1.00 88.26 87 A 1 ATOM 730 C CA . PHE A 1 87 ? -5.871 -17.695 2.232 1.00 85.69 87 A 1 ATOM 731 C C . PHE A 1 87 ? -6.508 -18.332 0.993 1.00 85.52 87 A 1 ATOM 732 O O . PHE A 1 87 ? -7.535 -18.999 1.103 1.00 85.04 87 A 1 ATOM 733 C CB . PHE A 1 87 ? -6.022 -16.170 2.229 1.00 84.16 87 A 1 ATOM 734 C CG . PHE A 1 87 ? -7.455 -15.700 2.088 1.00 81.61 87 A 1 ATOM 735 C CD1 . PHE A 1 87 ? -7.963 -15.333 0.826 1.00 77.49 87 A 1 ATOM 736 C CD2 . PHE A 1 87 ? -8.288 -15.651 3.219 1.00 76.83 87 A 1 ATOM 737 C CE1 . PHE A 1 87 ? -9.301 -14.913 0.699 1.00 75.22 87 A 1 ATOM 738 C CE2 . PHE A 1 87 ? -9.626 -15.230 3.092 1.00 75.17 87 A 1 ATOM 739 C CZ . PHE A 1 87 ? -10.134 -14.861 1.831 1.00 76.40 87 A 1 ATOM 740 N N . GLU A 1 88 ? -5.869 -18.197 -0.172 1.00 84.91 88 A 1 ATOM 741 C CA . GLU A 1 88 ? -6.345 -18.758 -1.437 1.00 83.93 88 A 1 ATOM 742 C C . GLU A 1 88 ? -6.416 -20.286 -1.427 1.00 83.51 88 A 1 ATOM 743 O O . GLU A 1 88 ? -7.320 -20.853 -2.042 1.00 81.85 88 A 1 ATOM 744 C CB . GLU A 1 88 ? -5.427 -18.302 -2.575 1.00 82.97 88 A 1 ATOM 745 C CG . GLU A 1 88 ? -5.631 -16.815 -2.903 1.00 80.78 88 A 1 ATOM 746 C CD . GLU A 1 88 ? -4.751 -16.327 -4.064 1.00 80.34 88 A 1 ATOM 747 O OE1 . GLU A 1 88 ? -5.051 -15.206 -4.546 1.00 73.96 88 A 1 ATOM 748 O OE2 . GLU A 1 88 ? -3.834 -17.064 -4.483 1.00 75.08 88 A 1 ATOM 749 N N . LYS A 1 89 ? -5.496 -20.943 -0.720 1.00 87.31 89 A 1 ATOM 750 C CA . LYS A 1 89 ? -5.491 -22.398 -0.536 1.00 85.97 89 A 1 ATOM 751 C C . LYS A 1 89 ? -6.562 -22.873 0.451 1.00 85.39 89 A 1 ATOM 752 O O . LYS A 1 89 ? -7.040 -23.994 0.326 1.00 82.43 89 A 1 ATOM 753 C CB . LYS A 1 89 ? -4.083 -22.824 -0.101 1.00 86.27 89 A 1 ATOM 754 C CG . LYS A 1 89 ? -3.942 -24.349 -0.037 1.00 82.25 89 A 1 ATOM 755 C CD . LYS A 1 89 ? -2.507 -24.754 0.304 1.00 79.98 89 A 1 ATOM 756 C CE . LYS A 1 89 ? -2.434 -26.285 0.342 1.00 74.91 89 A 1 ATOM 757 N NZ . LYS A 1 89 ? -1.064 -26.763 0.648 1.00 67.43 89 A 1 ATOM 758 N N . THR A 1 90 ? -6.887 -22.062 1.459 1.00 87.83 90 A 1 ATOM 759 C CA . THR A 1 90 ? -7.826 -22.438 2.528 1.00 86.07 90 A 1 ATOM 760 C C . THR A 1 90 ? -9.278 -22.201 2.122 1.00 85.27 90 A 1 ATOM 761 O O . THR A 1 90 ? -10.135 -22.999 2.481 1.00 82.00 90 A 1 ATOM 762 C CB . THR A 1 90 ? -7.511 -21.670 3.823 1.00 85.45 90 A 1 ATOM 763 O OG1 . THR A 1 90 ? -6.173 -21.893 4.206 1.00 82.38 90 A 1 ATOM 764 C CG2 . THR A 1 90 ? -8.365 -22.112 5.009 1.00 81.17 90 A 1 ATOM 765 N N . TYR A 1 91 ? -9.551 -21.135 1.384 1.00 84.70 91 A 1 ATOM 766 C CA . TYR A 1 91 ? -10.907 -20.723 1.029 1.00 83.39 91 A 1 ATOM 767 C C . TYR A 1 91 ? -11.106 -20.742 -0.488 1.00 82.52 91 A 1 ATOM 768 O O . TYR A 1 91 ? -10.404 -20.014 -1.208 1.00 79.37 91 A 1 ATOM 769 C CB . TYR A 1 91 ? -11.203 -19.344 1.620 1.00 82.55 91 A 1 ATOM 770 C CG . TYR A 1 91 ? -11.088 -19.308 3.132 1.00 82.43 91 A 1 ATOM 771 C CD1 . TYR A 1 91 ? -12.118 -19.841 3.929 1.00 80.35 91 A 1 ATOM 772 C CD2 . TYR A 1 91 ? -9.930 -18.780 3.742 1.00 80.45 91 A 1 ATOM 773 C CE1 . TYR A 1 91 ? -11.997 -19.843 5.333 1.00 78.56 91 A 1 ATOM 774 C CE2 . TYR A 1 91 ? -9.805 -18.783 5.143 1.00 78.91 91 A 1 ATOM 775 C CZ . TYR A 1 91 ? -10.839 -19.314 5.939 1.00 79.74 91 A 1 ATOM 776 O OH . TYR A 1 91 ? -10.716 -19.320 7.297 1.00 77.54 91 A 1 ATOM 777 N N . PRO A 1 92 ? -12.054 -21.555 -1.005 1.00 81.81 92 A 1 ATOM 778 C CA . PRO A 1 92 ? -12.413 -21.526 -2.415 1.00 80.15 92 A 1 ATOM 779 C C . PRO A 1 92 ? -13.013 -20.157 -2.796 1.00 79.81 92 A 1 ATOM 780 O O . PRO A 1 92 ? -13.473 -19.417 -1.920 1.00 76.74 92 A 1 ATOM 781 C CB . PRO A 1 92 ? -13.386 -22.695 -2.608 1.00 77.90 92 A 1 ATOM 782 C CG . PRO A 1 92 ? -14.062 -22.820 -1.244 1.00 76.23 92 A 1 ATOM 783 C CD . PRO A 1 92 ? -12.942 -22.448 -0.274 1.00 79.60 92 A 1 ATOM 784 N N . PRO A 1 93 ? -13.001 -19.775 -4.093 1.00 81.32 93 A 1 ATOM 785 C CA . PRO A 1 93 ? -13.436 -18.445 -4.539 1.00 80.48 93 A 1 ATOM 786 C C . PRO A 1 93 ? -14.818 -18.029 -4.020 1.00 79.59 93 A 1 ATOM 787 O O . PRO A 1 93 ? -15.016 -16.862 -3.692 1.00 75.58 93 A 1 ATOM 788 C CB . PRO A 1 93 ? -13.420 -18.502 -6.070 1.00 78.79 93 A 1 ATOM 789 C CG . PRO A 1 93 ? -12.350 -19.546 -6.369 1.00 77.31 93 A 1 ATOM 790 C CD . PRO A 1 93 ? -12.506 -20.544 -5.226 1.00 81.02 93 A 1 ATOM 791 N N . GLU A 1 94 ? -15.741 -18.976 -3.898 1.00 77.50 94 A 1 ATOM 792 C CA . GLU A 1 94 ? -17.122 -18.784 -3.463 1.00 76.38 94 A 1 ATOM 793 C C . GLU A 1 94 ? -17.229 -18.432 -1.967 1.00 74.49 94 A 1 ATOM 794 O O . GLU A 1 94 ? -18.144 -17.721 -1.563 1.00 69.84 94 A 1 ATOM 795 C CB . GLU A 1 94 ? -17.940 -20.061 -3.750 1.00 75.42 94 A 1 ATOM 796 C CG . GLU A 1 94 ? -17.896 -20.571 -5.210 1.00 67.97 94 A 1 ATOM 797 C CD . GLU A 1 94 ? -16.565 -21.247 -5.615 1.00 63.31 94 A 1 ATOM 798 O OE1 . GLU A 1 94 ? -16.260 -21.270 -6.832 1.00 59.10 94 A 1 ATOM 799 O OE2 . GLU A 1 94 ? -15.801 -21.661 -4.714 1.00 58.41 94 A 1 ATOM 800 N N . GLU A 1 95 ? -16.269 -18.893 -1.156 1.00 75.75 95 A 1 ATOM 801 C CA . GLU A 1 95 ? -16.211 -18.648 0.295 1.00 74.86 95 A 1 ATOM 802 C C . GLU A 1 95 ? -15.307 -17.464 0.669 1.00 71.88 95 A 1 ATOM 803 O O . GLU A 1 95 ? -15.245 -17.056 1.837 1.00 66.87 95 A 1 ATOM 804 C CB . GLU A 1 95 ? -15.735 -19.911 1.010 1.00 73.51 95 A 1 ATOM 805 C CG . GLU A 1 95 ? -16.761 -21.052 0.949 1.00 67.23 95 A 1 ATOM 806 C CD . GLU A 1 95 ? -16.260 -22.317 1.663 1.00 65.94 95 A 1 ATOM 807 O OE1 . GLU A 1 95 ? -16.759 -23.410 1.315 1.00 61.78 95 A 1 ATOM 808 O OE2 . GLU A 1 95 ? -15.375 -22.192 2.550 1.00 63.58 95 A 1 ATOM 809 N N . ARG A 1 96 ? -14.603 -16.882 -0.300 1.00 70.84 96 A 1 ATOM 810 C CA . ARG A 1 96 ? -13.756 -15.701 -0.086 1.00 67.39 96 A 1 ATOM 811 C C . ARG A 1 96 ? -14.620 -14.458 0.110 1.00 64.09 96 A 1 ATOM 812 O O . ARG A 1 96 ? -14.737 -13.611 -0.775 1.00 62.37 96 A 1 ATOM 813 C CB . ARG A 1 96 ? -12.741 -15.524 -1.229 1.00 67.01 96 A 1 ATOM 814 C CG . ARG A 1 96 ? -11.695 -16.637 -1.258 1.00 65.23 96 A 1 ATOM 815 C CD . ARG A 1 96 ? -10.791 -16.486 -2.488 1.00 65.95 96 A 1 ATOM 816 N NE . ARG A 1 96 ? -10.084 -17.742 -2.772 1.00 64.53 96 A 1 ATOM 817 C CZ . ARG A 1 96 ? -9.332 -18.004 -3.827 1.00 61.32 96 A 1 ATOM 818 N NH1 . ARG A 1 96 ? -9.058 -17.107 -4.734 1.00 59.95 96 A 1 ATOM 819 N NH2 . ARG A 1 96 ? -8.847 -19.200 -3.994 1.00 56.82 96 A 1 ATOM 820 N N . VAL A 1 97 ? -15.203 -14.330 1.299 1.00 58.76 97 A 1 ATOM 821 C CA . VAL A 1 97 ? -15.860 -13.094 1.716 1.00 57.83 97 A 1 ATOM 822 C C . VAL A 1 97 ? -14.781 -12.034 1.920 1.00 57.39 97 A 1 ATOM 823 O O . VAL A 1 97 ? -14.181 -11.906 2.987 1.00 53.46 97 A 1 ATOM 824 C CB . VAL A 1 97 ? -16.746 -13.284 2.963 1.00 53.65 97 A 1 ATOM 825 C CG1 . VAL A 1 97 ? -17.530 -11.990 3.260 1.00 48.27 97 A 1 ATOM 826 C CG2 . VAL A 1 97 ? -17.764 -14.410 2.760 1.00 48.59 97 A 1 ATOM 827 N N . VAL A 1 98 ? -14.505 -11.270 0.867 1.00 51.77 98 A 1 ATOM 828 C CA . VAL A 1 98 ? -13.609 -10.113 0.923 1.00 51.50 98 A 1 ATOM 829 C C . VAL A 1 98 ? -14.330 -8.994 1.667 1.00 51.07 98 A 1 ATOM 830 O O . VAL A 1 98 ? -15.065 -8.201 1.089 1.00 48.27 98 A 1 ATOM 831 C CB . VAL A 1 98 ? -13.117 -9.682 -0.475 1.00 48.60 98 A 1 ATOM 832 C CG1 . VAL A 1 98 ? -12.069 -8.559 -0.363 1.00 44.70 98 A 1 ATOM 833 C CG2 . VAL A 1 98 ? -12.455 -10.848 -1.226 1.00 44.40 98 A 1 ATOM 834 N N . GLY A 1 99 ? -14.106 -8.932 2.968 1.00 45.75 99 A 1 ATOM 835 C CA . GLY A 1 99 ? -14.518 -7.816 3.806 1.00 46.45 99 A 1 ATOM 836 C C . GLY A 1 99 ? -15.861 -8.033 4.499 1.00 46.87 99 A 1 ATOM 837 O O . GLY A 1 99 ? -16.921 -7.821 3.924 1.00 45.09 99 A 1 ATOM 838 N N . LYS A 1 100 ? -15.813 -8.309 5.811 1.00 39.60 100 A 1 ATOM 839 C CA . LYS A 1 100 ? -16.881 -7.811 6.681 1.00 41.27 100 A 1 ATOM 840 C C . LYS A 1 100 ? -16.855 -6.292 6.551 1.00 42.22 100 A 1 ATOM 841 O O . LYS A 1 100 ? -15.881 -5.660 6.960 1.00 40.50 100 A 1 ATOM 842 C CB . LYS A 1 100 ? -16.688 -8.257 8.136 1.00 38.49 100 A 1 ATOM 843 C CG . LYS A 1 100 ? -17.053 -9.738 8.336 1.00 34.87 100 A 1 ATOM 844 C CD . LYS A 1 100 ? -16.974 -10.137 9.818 1.00 32.19 100 A 1 ATOM 845 C CE . LYS A 1 100 ? -17.386 -11.608 9.970 1.00 29.63 100 A 1 ATOM 846 N NZ . LYS A 1 100 ? -17.362 -12.056 11.390 1.00 26.24 100 A 1 ATOM 847 N N . SER A 1 101 ? -17.877 -5.718 5.925 1.00 39.33 101 A 1 ATOM 848 C CA . SER A 1 101 ? -18.084 -4.278 5.928 1.00 40.98 101 A 1 ATOM 849 C C . SER A 1 101 ? -18.341 -3.866 7.376 1.00 42.19 101 A 1 ATOM 850 O O . SER A 1 101 ? -19.418 -4.102 7.917 1.00 40.70 101 A 1 ATOM 851 C CB . SER A 1 101 ? -19.254 -3.908 5.013 1.00 39.36 101 A 1 ATOM 852 O OG . SER A 1 101 ? -19.471 -2.512 5.034 1.00 35.07 101 A 1 ATOM 853 N N . TYR A 1 102 ? -17.332 -3.286 8.015 1.00 37.70 102 A 1 ATOM 854 C CA . TYR A 1 102 ? -17.521 -2.591 9.279 1.00 38.00 102 A 1 ATOM 855 C C . TYR A 1 102 ? -18.221 -1.267 8.956 1.00 38.71 102 A 1 ATOM 856 O O . TYR A 1 102 ? -17.571 -0.234 8.850 1.00 37.56 102 A 1 ATOM 857 C CB . TYR A 1 102 ? -16.171 -2.399 9.990 1.00 36.08 102 A 1 ATOM 858 C CG . TYR A 1 102 ? -15.523 -3.679 10.485 1.00 32.94 102 A 1 ATOM 859 C CD1 . TYR A 1 102 ? -15.889 -4.212 11.740 1.00 29.99 102 A 1 ATOM 860 C CD2 . TYR A 1 102 ? -14.552 -4.332 9.703 1.00 30.03 102 A 1 ATOM 861 C CE1 . TYR A 1 102 ? -15.284 -5.392 12.210 1.00 27.92 102 A 1 ATOM 862 C CE2 . TYR A 1 102 ? -13.948 -5.518 10.170 1.00 28.90 102 A 1 ATOM 863 C CZ . TYR A 1 102 ? -14.311 -6.048 11.427 1.00 28.84 102 A 1 ATOM 864 O OH . TYR A 1 102 ? -13.725 -7.188 11.880 1.00 26.87 102 A 1 ATOM 865 N N . ARG A 1 103 ? -19.547 -1.313 8.740 1.00 40.36 103 A 1 ATOM 866 C CA . ARG A 1 103 ? -20.373 -0.138 8.402 1.00 40.76 103 A 1 ATOM 867 C C . ARG A 1 103 ? -20.166 1.029 9.372 1.00 40.80 103 A 1 ATOM 868 O O . ARG A 1 103 ? -20.207 2.172 8.954 1.00 38.92 103 A 1 ATOM 869 C CB . ARG A 1 103 ? -21.860 -0.526 8.331 1.00 38.04 103 A 1 ATOM 870 C CG . ARG A 1 103 ? -22.203 -1.337 7.071 1.00 34.17 103 A 1 ATOM 871 C CD . ARG A 1 103 ? -23.713 -1.609 6.999 1.00 31.33 103 A 1 ATOM 872 N NE . ARG A 1 103 ? -24.091 -2.337 5.771 1.00 29.23 103 A 1 ATOM 873 C CZ . ARG A 1 103 ? -25.319 -2.669 5.404 1.00 26.27 103 A 1 ATOM 874 N NH1 . ARG A 1 103 ? -26.364 -2.388 6.136 1.00 24.74 103 A 1 ATOM 875 N NH2 . ARG A 1 103 ? -25.527 -3.299 4.280 1.00 24.93 103 A 1 ATOM 876 N N . ASP A 1 104 ? -19.820 0.726 10.618 1.00 39.20 104 A 1 ATOM 877 C CA . ASP A 1 104 ? -19.616 1.713 11.689 1.00 40.71 104 A 1 ATOM 878 C C . ASP A 1 104 ? -18.188 2.302 11.737 1.00 40.84 104 A 1 ATOM 879 O O . ASP A 1 104 ? -17.905 3.193 12.538 1.00 39.28 104 A 1 ATOM 880 C CB . ASP A 1 104 ? -19.990 1.056 13.029 1.00 39.33 104 A 1 ATOM 881 C CG . ASP A 1 104 ? -21.325 0.302 12.968 1.00 35.30 104 A 1 ATOM 882 O OD1 . ASP A 1 104 ? -22.260 0.808 12.311 1.00 31.53 104 A 1 ATOM 883 O OD2 . ASP A 1 104 ? -21.355 -0.830 13.493 1.00 31.21 104 A 1 ATOM 884 N N . LEU A 1 105 ? -17.259 1.817 10.892 1.00 37.64 105 A 1 ATOM 885 C CA . LEU A 1 105 ? -15.859 2.278 10.825 1.00 38.71 105 A 1 ATOM 886 C C . LEU A 1 105 ? -15.492 2.904 9.472 1.00 38.46 105 A 1 ATOM 887 O O . LEU A 1 105 ? -14.305 3.111 9.192 1.00 36.56 105 A 1 ATOM 888 C CB . LEU A 1 105 ? -14.910 1.126 11.196 1.00 37.21 105 A 1 ATOM 889 C CG . LEU A 1 105 ? -15.002 0.646 12.654 1.00 34.67 105 A 1 ATOM 890 C CD1 . LEU A 1 105 ? -14.099 -0.573 12.835 1.00 32.35 105 A 1 ATOM 891 C CD2 . LEU A 1 105 ? -14.540 1.717 13.645 1.00 33.71 105 A 1 ATOM 892 N N . VAL A 1 106 ? -16.480 3.205 8.624 1.00 37.31 106 A 1 ATOM 893 C CA . VAL A 1 106 ? -16.264 3.895 7.347 1.00 39.30 106 A 1 ATOM 894 C C . VAL A 1 106 ? -15.873 5.339 7.645 1.00 39.92 106 A 1 ATOM 895 O O . VAL A 1 106 ? -16.695 6.230 7.799 1.00 38.57 106 A 1 ATOM 896 C CB . VAL A 1 106 ? -17.483 3.795 6.410 1.00 37.73 106 A 1 ATOM 897 C CG1 . VAL A 1 106 ? -17.169 4.429 5.045 1.00 34.43 106 A 1 ATOM 898 C CG2 . VAL A 1 106 ? -17.864 2.336 6.142 1.00 34.75 106 A 1 ATOM 899 N N . THR A 1 107 ? -14.570 5.571 7.755 1.00 43.02 107 A 1 ATOM 900 C CA . THR A 1 107 ? -14.002 6.920 7.697 1.00 45.17 107 A 1 ATOM 901 C C . THR A 1 107 ? -13.845 7.320 6.227 1.00 45.56 107 A 1 ATOM 902 O O . THR A 1 107 ? -13.591 6.452 5.389 1.00 43.33 107 A 1 ATOM 903 C CB . THR A 1 107 ? -12.658 6.988 8.440 1.00 42.22 107 A 1 ATOM 904 O OG1 . THR A 1 107 ? -11.720 6.063 7.925 1.00 37.62 107 A 1 ATOM 905 C CG2 . THR A 1 107 ? -12.801 6.681 9.935 1.00 36.63 107 A 1 ATOM 906 N N . GLU A 1 108 ? -13.856 8.625 5.897 1.00 46.93 108 A 1 ATOM 907 C CA . GLU A 1 108 ? -13.514 9.135 4.544 1.00 48.90 108 A 1 ATOM 908 C C . GLU A 1 108 ? -12.219 8.519 3.977 1.00 49.05 108 A 1 ATOM 909 O O . GLU A 1 108 ? -12.024 8.323 2.778 1.00 47.22 108 A 1 ATOM 910 C CB . GLU A 1 108 ? -13.247 10.644 4.621 1.00 47.09 108 A 1 ATOM 911 C CG . GLU A 1 108 ? -14.451 11.547 4.905 1.00 41.71 108 A 1 ATOM 912 C CD . GLU A 1 108 ? -14.046 13.036 4.865 1.00 38.66 108 A 1 ATOM 913 O OE1 . GLU A 1 108 ? -14.945 13.885 4.911 1.00 35.86 108 A 1 ATOM 914 O OE2 . GLU A 1 108 ? -12.815 13.315 4.794 1.00 35.38 108 A 1 ATOM 915 N N . LYS A 1 109 ? -11.292 8.173 4.868 1.00 48.56 109 A 1 ATOM 916 C CA . LYS A 1 109 ? -10.033 7.498 4.546 1.00 49.22 109 A 1 ATOM 917 C C . LYS A 1 109 ? -10.237 6.038 4.122 1.00 48.81 109 A 1 ATOM 918 O O . LYS A 1 109 ? -9.452 5.547 3.308 1.00 46.49 109 A 1 ATOM 919 C CB . LYS A 1 109 ? -9.144 7.623 5.777 1.00 46.62 109 A 1 ATOM 920 C CG . LYS A 1 109 ? -7.695 7.214 5.542 1.00 41.46 109 A 1 ATOM 921 C CD . LYS A 1 109 ? -6.957 7.414 6.858 1.00 39.20 109 A 1 ATOM 922 C CE . LYS A 1 109 ? -5.505 6.977 6.780 1.00 35.41 109 A 1 ATOM 923 N NZ . LYS A 1 109 ? -4.934 7.020 8.147 1.00 32.11 109 A 1 ATOM 924 N N . GLY A 1 110 ? -11.242 5.356 4.661 1.00 47.62 110 A 1 ATOM 925 C CA . GLY A 1 110 ? -11.664 4.013 4.252 1.00 48.36 110 A 1 ATOM 926 C C . GLY A 1 110 ? -12.201 4.012 2.821 1.00 48.63 110 A 1 ATOM 927 O O . GLY A 1 110 ? -11.710 3.247 1.996 1.00 47.40 110 A 1 ATOM 928 N N . GLU A 1 111 ? -13.094 4.940 2.492 1.00 49.35 111 A 1 ATOM 929 C CA . GLU A 1 111 ? -13.655 5.121 1.140 1.00 50.71 111 A 1 ATOM 930 C C . GLU A 1 111 ? -12.567 5.416 0.101 1.00 52.19 111 A 1 ATOM 931 O O . GLU A 1 111 ? -12.486 4.755 -0.937 1.00 50.45 111 A 1 ATOM 932 C CB . GLU A 1 111 ? -14.678 6.258 1.162 1.00 48.59 111 A 1 ATOM 933 C CG . GLU A 1 111 ? -15.896 5.902 2.019 1.00 43.17 111 A 1 ATOM 934 C CD . GLU A 1 111 ? -16.929 7.033 2.088 1.00 39.45 111 A 1 ATOM 935 O OE1 . GLU A 1 111 ? -18.069 6.721 2.483 1.00 37.54 111 A 1 ATOM 936 O OE2 . GLU A 1 111 ? -16.536 8.190 1.808 1.00 36.01 111 A 1 ATOM 937 N N . ARG A 1 112 ? -11.629 6.311 0.424 1.00 49.85 112 A 1 ATOM 938 C CA . ARG A 1 112 ? -10.460 6.592 -0.433 1.00 52.00 112 A 1 ATOM 939 C C . ARG A 1 112 ? -9.533 5.382 -0.628 1.00 53.23 112 A 1 ATOM 940 O O . ARG A 1 112 ? -8.848 5.301 -1.637 1.00 51.40 112 A 1 ATOM 941 C CB . ARG A 1 112 ? -9.681 7.789 0.126 1.00 49.39 112 A 1 ATOM 942 C CG . ARG A 1 112 ? -10.462 9.102 -0.059 1.00 44.54 112 A 1 ATOM 943 C CD . ARG A 1 112 ? -9.680 10.276 0.526 1.00 42.27 112 A 1 ATOM 944 N NE . ARG A 1 112 ? -10.495 11.504 0.479 1.00 39.76 112 A 1 ATOM 945 C CZ . ARG A 1 112 ? -10.213 12.670 1.031 1.00 35.62 112 A 1 ATOM 946 N NH1 . ARG A 1 112 ? -9.070 12.906 1.607 1.00 34.66 112 A 1 ATOM 947 N NH2 . ARG A 1 112 ? -11.104 13.625 1.017 1.00 33.40 112 A 1 ATOM 948 N N . SER A 1 113 ? -9.495 4.440 0.313 1.00 51.27 113 A 1 ATOM 949 C CA . SER A 1 113 ? -8.679 3.229 0.177 1.00 53.03 113 A 1 ATOM 950 C C . SER A 1 113 ? -9.299 2.151 -0.728 1.00 56.20 113 A 1 ATOM 951 O O . SER A 1 113 ? -8.577 1.273 -1.195 1.00 53.75 113 A 1 ATOM 952 C CB . SER A 1 113 ? -8.303 2.673 1.553 1.00 48.14 113 A 1 ATOM 953 O OG . SER A 1 113 ? -9.361 2.011 2.207 1.00 42.02 113 A 1 ATOM 954 N N . ALA A 1 114 ? -10.610 2.254 -1.022 1.00 58.87 114 A 1 ATOM 955 C CA . ALA A 1 114 ? -11.365 1.238 -1.757 1.00 60.24 114 A 1 ATOM 956 C C . ALA A 1 114 ? -11.343 1.402 -3.295 1.00 64.75 114 A 1 ATOM 957 O O . ALA A 1 114 ? -11.997 0.635 -3.992 1.00 61.25 114 A 1 ATOM 958 C CB . ALA A 1 114 ? -12.784 1.206 -1.178 1.00 54.85 114 A 1 ATOM 959 N N . ASN A 1 115 ? -10.585 2.371 -3.845 1.00 71.39 115 A 1 ATOM 960 C CA . ASN A 1 115 ? -10.625 2.729 -5.276 1.00 74.53 115 A 1 ATOM 961 C C . ASN A 1 115 ? -12.057 2.997 -5.793 1.00 77.13 115 A 1 ATOM 962 O O . ASN A 1 115 ? -12.406 2.616 -6.914 1.00 75.31 115 A 1 ATOM 963 C CB . ASN A 1 115 ? -9.861 1.701 -6.128 1.00 70.78 115 A 1 ATOM 964 C CG . ASN A 1 115 ? -8.373 1.665 -5.867 1.00 64.77 115 A 1 ATOM 965 O OD1 . ASN A 1 115 ? -7.701 2.667 -5.673 1.00 60.29 115 A 1 ATOM 966 N ND2 . ASN A 1 115 ? -7.783 0.494 -5.902 1.00 58.56 115 A 1 ATOM 967 N N . MET A 1 116 ? -12.865 3.650 -4.967 1.00 76.26 116 A 1 ATOM 968 C CA . MET A 1 116 ? -14.215 4.100 -5.295 1.00 77.81 116 A 1 ATOM 969 C C . MET A 1 116 ? -14.178 5.575 -5.707 1.00 81.30 116 A 1 ATOM 970 O O . MET A 1 116 ? -13.398 6.358 -5.162 1.00 79.05 116 A 1 ATOM 971 C CB . MET A 1 116 ? -15.153 3.871 -4.101 1.00 73.42 116 A 1 ATOM 972 C CG . MET A 1 116 ? -15.238 2.403 -3.672 1.00 66.68 116 A 1 ATOM 973 S SD . MET A 1 116 ? -16.000 1.276 -4.873 1.00 61.55 116 A 1 ATOM 974 C CE . MET A 1 116 ? -17.748 1.534 -4.480 1.00 54.39 116 A 1 ATOM 975 N N . TYR A 1 117 ? -15.029 5.947 -6.671 1.00 80.54 117 A 1 ATOM 976 C CA . TYR A 1 117 ? -15.139 7.301 -7.219 1.00 83.10 117 A 1 ATOM 977 C C . TYR A 1 117 ? -16.606 7.701 -7.310 1.00 83.47 117 A 1 ATOM 978 O O . TYR A 1 117 ? -17.475 6.838 -7.374 1.00 82.34 117 A 1 ATOM 979 C CB . TYR A 1 117 ? -14.479 7.352 -8.600 1.00 84.82 117 A 1 ATOM 980 C CG . TYR A 1 117 ? -13.005 7.013 -8.584 1.00 85.25 117 A 1 ATOM 981 C CD1 . TYR A 1 117 ? -12.056 8.023 -8.326 1.00 78.66 117 A 1 ATOM 982 C CD2 . TYR A 1 117 ? -12.585 5.682 -8.774 1.00 79.34 117 A 1 ATOM 983 C CE1 . TYR A 1 117 ? -10.688 7.706 -8.257 1.00 77.46 117 A 1 ATOM 984 C CE2 . TYR A 1 117 ? -11.216 5.359 -8.701 1.00 78.00 117 A 1 ATOM 985 C CZ . TYR A 1 117 ? -10.267 6.371 -8.442 1.00 83.84 117 A 1 ATOM 986 O OH . TYR A 1 117 ? -8.947 6.059 -8.362 1.00 82.48 117 A 1 ATOM 987 N N . ILE A 1 118 ? -16.878 9.004 -7.349 1.00 82.55 118 A 1 ATOM 988 C CA . ILE A 1 118 ? -18.235 9.523 -7.505 1.00 83.93 118 A 1 ATOM 989 C C . ILE A 1 118 ? -18.485 9.798 -8.989 1.00 86.87 118 A 1 ATOM 990 O O . ILE A 1 118 ? -17.684 10.453 -9.656 1.00 86.96 118 A 1 ATOM 991 C CB . ILE A 1 118 ? -18.458 10.747 -6.591 1.00 81.33 118 A 1 ATOM 992 C CG1 . ILE A 1 118 ? -18.213 10.369 -5.108 1.00 76.02 118 A 1 ATOM 993 C CG2 . ILE A 1 118 ? -19.881 11.298 -6.784 1.00 73.01 118 A 1 ATOM 994 C CD1 . ILE A 1 118 ? -18.228 11.558 -4.138 1.00 66.90 118 A 1 ATOM 995 N N . ILE A 1 119 ? -19.604 9.283 -9.528 1.00 84.76 119 A 1 ATOM 996 C CA . ILE A 1 119 ? -20.106 9.605 -10.867 1.00 88.03 119 A 1 ATOM 997 C C . ILE A 1 119 ? -21.576 9.980 -10.731 1.00 87.58 119 A 1 ATOM 998 O O . ILE A 1 119 ? -22.380 9.154 -10.316 1.00 84.82 119 A 1 ATOM 999 C CB . ILE A 1 119 ? -19.909 8.438 -11.861 1.00 90.19 119 A 1 ATOM 1000 C CG1 . ILE A 1 119 ? -18.410 8.107 -12.019 1.00 88.55 119 A 1 ATOM 1001 C CG2 . ILE A 1 119 ? -20.524 8.798 -13.230 1.00 87.27 119 A 1 ATOM 1002 C CD1 . ILE A 1 119 ? -18.127 6.928 -12.953 1.00 85.84 119 A 1 ATOM 1003 N N . ASN A 1 120 ? -21.925 11.219 -11.084 1.00 88.73 120 A 1 ATOM 1004 C CA . ASN A 1 120 ? -23.291 11.746 -10.997 1.00 88.51 120 A 1 ATOM 1005 C C . ASN A 1 120 ? -23.946 11.558 -9.608 1.00 88.58 120 A 1 ATOM 1006 O O . ASN A 1 120 ? -25.144 11.324 -9.506 1.00 84.65 120 A 1 ATOM 1007 C CB . ASN A 1 120 ? -24.141 11.180 -12.151 1.00 88.59 120 A 1 ATOM 1008 C CG . ASN A 1 120 ? -23.560 11.447 -13.526 1.00 86.80 120 A 1 ATOM 1009 O OD1 . ASN A 1 120 ? -22.908 12.447 -13.793 1.00 77.64 120 A 1 ATOM 1010 N ND2 . ASN A 1 120 ? -23.777 10.552 -14.458 1.00 77.03 120 A 1 ATOM 1011 N N . GLY A 1 121 ? -23.148 11.633 -8.540 1.00 83.35 121 A 1 ATOM 1012 C CA . GLY A 1 121 ? -23.608 11.450 -7.159 1.00 82.40 121 A 1 ATOM 1013 C C . GLY A 1 121 ? -23.644 10.000 -6.663 1.00 82.50 121 A 1 ATOM 1014 O O . GLY A 1 121 ? -23.869 9.783 -5.474 1.00 78.05 121 A 1 ATOM 1015 N N . GLU A 1 122 ? -23.358 9.014 -7.522 1.00 78.05 122 A 1 ATOM 1016 C CA . GLU A 1 122 ? -23.276 7.599 -7.147 1.00 78.90 122 A 1 ATOM 1017 C C . GLU A 1 122 ? -21.826 7.161 -6.922 1.00 79.06 122 A 1 ATOM 1018 O O . GLU A 1 122 ? -20.916 7.536 -7.663 1.00 76.08 122 A 1 ATOM 1019 C CB . GLU A 1 122 ? -23.949 6.707 -8.192 1.00 77.01 122 A 1 ATOM 1020 C CG . GLU A 1 122 ? -25.458 6.977 -8.295 1.00 70.71 122 A 1 ATOM 1021 C CD . GLU A 1 122 ? -26.187 5.967 -9.194 1.00 66.58 122 A 1 ATOM 1022 O OE1 . GLU A 1 122 ? -27.438 5.982 -9.164 1.00 60.26 122 A 1 ATOM 1023 O OE2 . GLU A 1 122 ? -25.506 5.174 -9.887 1.00 60.01 122 A 1 ATOM 1024 N N . VAL A 1 123 ? -21.606 6.324 -5.902 1.00 79.29 123 A 1 ATOM 1025 C CA . VAL A 1 123 ? -20.280 5.769 -5.590 1.00 77.31 123 A 1 ATOM 1026 C C . VAL A 1 123 ? -20.045 4.508 -6.419 1.00 78.76 123 A 1 ATOM 1027 O O . VAL A 1 123 ? -20.741 3.507 -6.257 1.00 76.23 123 A 1 ATOM 1028 C CB . VAL A 1 123 ? -20.132 5.494 -4.085 1.00 73.42 123 A 1 ATOM 1029 C CG1 . VAL A 1 123 ? -18.716 4.994 -3.759 1.00 66.66 123 A 1 ATOM 1030 C CG2 . VAL A 1 123 ? -20.364 6.752 -3.243 1.00 65.80 123 A 1 ATOM 1031 N N . VAL A 1 124 ? -19.036 4.530 -7.285 1.00 80.30 124 A 1 ATOM 1032 C CA . VAL A 1 124 ? -18.768 3.481 -8.275 1.00 81.98 124 A 1 ATOM 1033 C C . VAL A 1 124 ? -17.319 2.992 -8.179 1.00 82.44 124 A 1 ATOM 1034 O O . VAL A 1 124 ? -16.383 3.762 -7.954 1.00 81.25 124 A 1 ATOM 1035 C CB . VAL A 1 124 ? -19.106 3.976 -9.695 1.00 82.53 124 A 1 ATOM 1036 C CG1 . VAL A 1 124 ? -19.016 2.832 -10.712 1.00 73.32 124 A 1 ATOM 1037 C CG2 . VAL A 1 124 ? -20.528 4.541 -9.800 1.00 71.87 124 A 1 ATOM 1038 N N . GLY A 1 125 ? -17.101 1.683 -8.364 1.00 84.21 125 A 1 ATOM 1039 C CA . GLY A 1 125 ? -15.766 1.096 -8.430 1.00 84.67 125 A 1 ATOM 1040 C C . GLY A 1 125 ? -14.987 1.562 -9.666 1.00 87.46 125 A 1 ATOM 1041 O O . GLY A 1 125 ? -15.549 1.769 -10.738 1.00 87.27 125 A 1 ATOM 1042 N N . ALA A 1 126 ? -13.661 1.673 -9.562 1.00 86.19 126 A 1 ATOM 1043 C CA . ALA A 1 126 ? -12.805 2.182 -10.640 1.00 86.59 126 A 1 ATOM 1044 C C . ALA A 1 126 ? -12.966 1.451 -11.991 1.00 88.77 126 A 1 ATOM 1045 O O . ALA A 1 126 ? -12.799 2.053 -13.054 1.00 88.15 126 A 1 ATOM 1046 C CB . ALA A 1 126 ? -11.360 2.077 -10.149 1.00 84.72 126 A 1 ATOM 1047 N N . LYS A 1 127 ? -13.272 0.150 -11.972 1.00 86.97 127 A 1 ATOM 1048 C CA . LYS A 1 127 ? -13.522 -0.647 -13.185 1.00 87.66 127 A 1 ATOM 1049 C C . LYS A 1 127 ? -14.838 -0.235 -13.851 1.00 90.37 127 A 1 ATOM 1050 O O . LYS A 1 127 ? -14.837 0.063 -15.043 1.00 89.86 127 A 1 ATOM 1051 C CB . LYS A 1 127 ? -13.490 -2.140 -12.828 1.00 85.34 127 A 1 ATOM 1052 C CG . LYS A 1 127 ? -13.536 -3.027 -14.079 1.00 77.94 127 A 1 ATOM 1053 C CD . LYS A 1 127 ? -13.535 -4.511 -13.687 1.00 72.39 127 A 1 ATOM 1054 C CE . LYS A 1 127 ? -13.660 -5.388 -14.934 1.00 63.94 127 A 1 ATOM 1055 N NZ . LYS A 1 127 ? -13.855 -6.820 -14.575 1.00 55.74 127 A 1 ATOM 1056 N N . ASP A 1 128 ? -15.908 -0.138 -13.076 1.00 87.10 128 A 1 ATOM 1057 C CA . ASP A 1 128 ? -17.237 0.232 -13.573 1.00 88.27 128 A 1 ATOM 1058 C C . ASP A 1 128 ? -17.271 1.702 -14.005 1.00 90.89 128 A 1 ATOM 1059 O O . ASP A 1 128 ? -17.826 2.031 -15.050 1.00 89.95 128 A 1 ATOM 1060 C CB . ASP A 1 128 ? -18.285 -0.077 -12.495 1.00 86.17 128 A 1 ATOM 1061 C CG . ASP A 1 128 ? -18.201 -1.531 -12.031 1.00 82.98 128 A 1 ATOM 1062 O OD1 . ASP A 1 128 ? -17.963 -2.409 -12.895 1.00 77.20 128 A 1 ATOM 1063 O OD2 . ASP A 1 128 ? -18.220 -1.733 -10.800 1.00 74.93 128 A 1 ATOM 1064 N N . ALA A 1 129 ? -16.541 2.569 -13.298 1.00 89.91 129 A 1 ATOM 1065 C CA . ALA A 1 129 ? -16.320 3.958 -13.685 1.00 91.11 129 A 1 ATOM 1066 C C . ALA A 1 129 ? -15.740 4.096 -15.103 1.00 92.88 129 A 1 ATOM 1067 O O . ALA A 1 129 ? -16.143 4.971 -15.867 1.00 93.19 129 A 1 ATOM 1068 C CB . ALA A 1 129 ? -15.382 4.592 -12.649 1.00 91.15 129 A 1 ATOM 1069 N N . SER A 1 130 ? -14.808 3.214 -15.497 1.00 91.59 130 A 1 ATOM 1070 C CA . SER A 1 130 ? -14.242 3.248 -16.851 1.00 92.31 130 A 1 ATOM 1071 C C . SER A 1 130 ? -15.277 2.932 -17.937 1.00 93.48 130 A 1 ATOM 1072 O O . SER A 1 130 ? -15.248 3.548 -19.003 1.00 92.97 130 A 1 ATOM 1073 C CB . SER A 1 130 ? -13.013 2.341 -16.962 1.00 91.62 130 A 1 ATOM 1074 O OG . SER A 1 130 ? -13.289 0.959 -16.991 1.00 78.30 130 A 1 ATOM 1075 N N . ILE A 1 131 ? -16.218 2.033 -17.647 1.00 92.65 131 A 1 ATOM 1076 C CA . ILE A 1 131 ? -17.305 1.643 -18.549 1.00 92.35 131 A 1 ATOM 1077 C C . ILE A 1 131 ? -18.334 2.777 -18.648 1.00 93.06 131 A 1 ATOM 1078 O O . ILE A 1 131 ? -18.652 3.225 -19.751 1.00 91.90 131 A 1 ATOM 1079 C CB . ILE A 1 131 ? -17.939 0.313 -18.076 1.00 92.10 131 A 1 ATOM 1080 C CG1 . ILE A 1 131 ? -16.885 -0.824 -18.056 1.00 89.79 131 A 1 ATOM 1081 C CG2 . ILE A 1 131 ? -19.128 -0.066 -18.975 1.00 88.64 131 A 1 ATOM 1082 C CD1 . ILE A 1 131 ? -17.367 -2.114 -17.377 1.00 82.93 131 A 1 ATOM 1083 N N . LEU A 1 132 ? -18.784 3.298 -17.506 1.00 92.57 132 A 1 ATOM 1084 C CA . LEU A 1 132 ? -19.782 4.372 -17.431 1.00 92.30 132 A 1 ATOM 1085 C C . LEU A 1 132 ? -19.320 5.665 -18.114 1.00 92.93 132 A 1 ATOM 1086 O O . LEU A 1 132 ? -20.099 6.330 -18.789 1.00 91.16 132 A 1 ATOM 1087 C CB . LEU A 1 132 ? -20.107 4.645 -15.952 1.00 92.22 132 A 1 ATOM 1088 C CG . LEU A 1 132 ? -20.899 3.528 -15.247 1.00 88.34 132 A 1 ATOM 1089 C CD1 . LEU A 1 132 ? -21.009 3.850 -13.760 1.00 77.83 132 A 1 ATOM 1090 C CD2 . LEU A 1 132 ? -22.312 3.377 -15.811 1.00 77.60 132 A 1 ATOM 1091 N N . LEU A 1 133 ? -18.043 6.007 -17.998 1.00 91.46 133 A 1 ATOM 1092 C CA . LEU A 1 133 ? -17.460 7.191 -18.641 1.00 91.80 133 A 1 ATOM 1093 C C . LEU A 1 133 ? -17.049 6.959 -20.109 1.00 92.43 133 A 1 ATOM 1094 O O . LEU A 1 133 ? -16.540 7.876 -20.758 1.00 90.32 133 A 1 ATOM 1095 C CB . LEU A 1 133 ? -16.296 7.702 -17.783 1.00 92.54 133 A 1 ATOM 1096 C CG . LEU A 1 133 ? -16.686 8.170 -16.367 1.00 91.43 133 A 1 ATOM 1097 C CD1 . LEU A 1 133 ? -15.408 8.518 -15.607 1.00 81.43 133 A 1 ATOM 1098 C CD2 . LEU A 1 133 ? -17.582 9.411 -16.395 1.00 81.93 133 A 1 ATOM 1099 N N . GLY A 1 134 ? -17.229 5.743 -20.653 1.00 92.70 134 A 1 ATOM 1100 C CA . GLY A 1 134 ? -16.947 5.412 -22.054 1.00 92.37 134 A 1 ATOM 1101 C C . GLY A 1 134 ? -15.458 5.281 -22.402 1.00 93.14 134 A 1 ATOM 1102 O O . GLY A 1 134 ? -15.065 5.494 -23.553 1.00 90.41 134 A 1 ATOM 1103 N N . TYR A 1 135 ? -14.604 4.957 -21.435 1.00 91.97 135 A 1 ATOM 1104 C CA . TYR A 1 135 ? -13.183 4.700 -21.697 1.00 91.88 135 A 1 ATOM 1105 C C . TYR A 1 135 ? -12.972 3.300 -22.284 1.00 91.15 135 A 1 ATOM 1106 O O . TYR A 1 135 ? -13.589 2.331 -21.860 1.00 87.69 135 A 1 ATOM 1107 C CB . TYR A 1 135 ? -12.343 4.899 -20.429 1.00 92.29 135 A 1 ATOM 1108 C CG . TYR A 1 135 ? -12.100 6.355 -20.083 1.00 93.09 135 A 1 ATOM 1109 C CD1 . TYR A 1 135 ? -10.887 6.975 -20.446 1.00 84.48 135 A 1 ATOM 1110 C CD2 . TYR A 1 135 ? -13.096 7.097 -19.421 1.00 83.44 135 A 1 ATOM 1111 C CE1 . TYR A 1 135 ? -10.670 8.332 -20.150 1.00 83.14 135 A 1 ATOM 1112 C CE2 . TYR A 1 135 ? -12.885 8.459 -19.131 1.00 83.80 135 A 1 ATOM 1113 C CZ . TYR A 1 135 ? -11.673 9.078 -19.497 1.00 91.97 135 A 1 ATOM 1114 O OH . TYR A 1 135 ? -11.475 10.393 -19.231 1.00 91.24 135 A 1 ATOM 1115 N N . SER A 1 136 ? -12.018 3.173 -23.207 1.00 92.05 136 A 1 ATOM 1116 C CA . SER A 1 136 ? -11.671 1.887 -23.837 1.00 90.28 136 A 1 ATOM 1117 C C . SER A 1 136 ? -11.084 0.852 -22.867 1.00 89.59 136 A 1 ATOM 1118 O O . SER A 1 136 ? -11.126 -0.347 -23.134 1.00 85.99 136 A 1 ATOM 1119 C CB . SER A 1 136 ? -10.674 2.127 -24.978 1.00 88.95 136 A 1 ATOM 1120 O OG . SER A 1 136 ? -9.496 2.763 -24.507 1.00 83.30 136 A 1 ATOM 1121 N N . SER A 1 137 ? -10.492 1.300 -21.769 1.00 90.82 137 A 1 ATOM 1122 C CA . SER A 1 137 ? -9.994 0.441 -20.692 1.00 90.26 137 A 1 ATOM 1123 C C . SER A 1 137 ? -9.853 1.208 -19.375 1.00 90.07 137 A 1 ATOM 1124 O O . SER A 1 137 ? -9.618 2.422 -19.364 1.00 88.69 137 A 1 ATOM 1125 C CB . SER A 1 137 ? -8.643 -0.178 -21.077 1.00 88.70 137 A 1 ATOM 1126 O OG . SER A 1 137 ? -7.610 0.794 -21.112 1.00 84.58 137 A 1 ATOM 1127 N N . TYR A 1 138 ? -9.879 0.465 -18.267 1.00 91.02 138 A 1 ATOM 1128 C CA . TYR A 1 138 ? -9.547 0.987 -16.940 1.00 90.01 138 A 1 ATOM 1129 C C . TYR A 1 138 ? -8.185 1.697 -16.912 1.00 91.36 138 A 1 ATOM 1130 O O . TYR A 1 138 ? -8.064 2.782 -16.352 1.00 90.28 138 A 1 ATOM 1131 C CB . TYR A 1 138 ? -9.557 -0.174 -15.935 1.00 86.68 138 A 1 ATOM 1132 C CG . TYR A 1 138 ? -8.943 0.197 -14.599 1.00 82.75 138 A 1 ATOM 1133 C CD1 . TYR A 1 138 ? -7.667 -0.286 -14.233 1.00 75.08 138 A 1 ATOM 1134 C CD2 . TYR A 1 138 ? -9.619 1.095 -13.752 1.00 73.93 138 A 1 ATOM 1135 C CE1 . TYR A 1 138 ? -7.080 0.118 -13.017 1.00 69.17 138 A 1 ATOM 1136 C CE2 . TYR A 1 138 ? -9.029 1.506 -12.541 1.00 69.37 138 A 1 ATOM 1137 C CZ . TYR A 1 138 ? -7.761 1.017 -12.170 1.00 70.17 138 A 1 ATOM 1138 O OH . TYR A 1 138 ? -7.197 1.417 -10.998 1.00 71.21 138 A 1 ATOM 1139 N N . ASN A 1 139 ? -7.171 1.142 -17.582 1.00 89.97 139 A 1 ATOM 1140 C CA . ASN A 1 139 ? -5.820 1.719 -17.604 1.00 90.62 139 A 1 ATOM 1141 C C . ASN A 1 139 ? -5.790 3.122 -18.227 1.00 91.31 139 A 1 ATOM 1142 O O . ASN A 1 139 ? -5.039 3.983 -17.776 1.00 89.98 139 A 1 ATOM 1143 C CB . ASN A 1 139 ? -4.885 0.767 -18.365 1.00 89.66 139 A 1 ATOM 1144 C CG . ASN A 1 139 ? -4.615 -0.527 -17.617 1.00 87.45 139 A 1 ATOM 1145 O OD1 . ASN A 1 139 ? -4.734 -0.621 -16.407 1.00 79.31 139 A 1 ATOM 1146 N ND2 . ASN A 1 139 ? -4.227 -1.571 -18.311 1.00 78.18 139 A 1 ATOM 1147 N N . THR A 1 140 ? -6.625 3.373 -19.240 1.00 91.37 140 A 1 ATOM 1148 C CA . THR A 1 140 ? -6.734 4.687 -19.894 1.00 92.00 140 A 1 ATOM 1149 C C . THR A 1 140 ? -7.349 5.723 -18.949 1.00 92.99 140 A 1 ATOM 1150 O O . THR A 1 140 ? -6.824 6.830 -18.826 1.00 91.86 140 A 1 ATOM 1151 C CB . THR A 1 140 ? -7.562 4.590 -21.186 1.00 91.66 140 A 1 ATOM 1152 O OG1 . THR A 1 140 ? -7.072 3.556 -22.015 1.00 85.85 140 A 1 ATOM 1153 C CG2 . THR A 1 140 ? -7.490 5.873 -22.009 1.00 83.61 140 A 1 ATOM 1154 N N . LEU A 1 141 ? -8.420 5.352 -18.240 1.00 92.01 141 A 1 ATOM 1155 C CA . LEU A 1 141 ? -9.019 6.199 -17.205 1.00 91.93 141 A 1 ATOM 1156 C C . LEU A 1 141 ? -8.024 6.458 -16.067 1.00 92.26 141 A 1 ATOM 1157 O O . LEU A 1 141 ? -7.786 7.610 -15.707 1.00 92.01 141 A 1 ATOM 1158 C CB . LEU A 1 141 ? -10.320 5.541 -16.703 1.00 92.66 141 A 1 ATOM 1159 C CG . LEU A 1 141 ? -10.980 6.279 -15.523 1.00 92.13 141 A 1 ATOM 1160 C CD1 . LEU A 1 141 ? -11.387 7.708 -15.875 1.00 81.90 141 A 1 ATOM 1161 C CD2 . LEU A 1 141 ? -12.219 5.529 -15.050 1.00 82.78 141 A 1 ATOM 1162 N N . TYR A 1 142 ? -7.381 5.414 -15.560 1.00 91.00 142 A 1 ATOM 1163 C CA . TYR A 1 142 ? -6.415 5.511 -14.465 1.00 89.46 142 A 1 ATOM 1164 C C . TYR A 1 142 ? -5.227 6.421 -14.804 1.00 90.54 142 A 1 ATOM 1165 O O . TYR A 1 142 ? -4.830 7.257 -13.993 1.00 90.40 142 A 1 ATOM 1166 C CB . TYR A 1 142 ? -5.931 4.104 -14.103 1.00 87.18 142 A 1 ATOM 1167 C CG . TYR A 1 142 ? -4.947 4.096 -12.951 1.00 81.97 142 A 1 ATOM 1168 C CD1 . TYR A 1 142 ? -3.562 3.983 -13.193 1.00 75.39 142 A 1 ATOM 1169 C CD2 . TYR A 1 142 ? -5.418 4.241 -11.629 1.00 73.74 142 A 1 ATOM 1170 C CE1 . TYR A 1 142 ? -2.653 4.002 -12.119 1.00 71.09 142 A 1 ATOM 1171 C CE2 . TYR A 1 142 ? -4.510 4.264 -10.552 1.00 70.78 142 A 1 ATOM 1172 C CZ . TYR A 1 142 ? -3.126 4.142 -10.796 1.00 73.26 142 A 1 ATOM 1173 O OH . TYR A 1 142 ? -2.249 4.163 -9.759 1.00 72.33 142 A 1 ATOM 1174 N N . ALA A 1 143 ? -4.676 6.314 -16.017 1.00 89.15 143 A 1 ATOM 1175 C CA . ALA A 1 143 ? -3.596 7.196 -16.470 1.00 89.77 143 A 1 ATOM 1176 C C . ALA A 1 143 ? -4.031 8.675 -16.492 1.00 91.14 143 A 1 ATOM 1177 O O . ALA A 1 143 ? -3.262 9.549 -16.088 1.00 90.81 143 A 1 ATOM 1178 C CB . ALA A 1 143 ? -3.130 6.723 -17.851 1.00 90.14 143 A 1 ATOM 1179 N N . LYS A 1 144 ? -5.277 8.957 -16.913 1.00 92.06 144 A 1 ATOM 1180 C CA . LYS A 1 144 ? -5.841 10.314 -16.912 1.00 92.18 144 A 1 ATOM 1181 C C . LYS A 1 144 ? -6.064 10.835 -15.492 1.00 93.18 144 A 1 ATOM 1182 O O . LYS A 1 144 ? -5.625 11.944 -15.193 1.00 92.47 144 A 1 ATOM 1183 C CB . LYS A 1 144 ? -7.116 10.333 -17.763 1.00 92.01 144 A 1 ATOM 1184 C CG . LYS A 1 144 ? -7.624 11.767 -17.973 1.00 89.59 144 A 1 ATOM 1185 C CD . LYS A 1 144 ? -8.691 11.822 -19.070 1.00 86.64 144 A 1 ATOM 1186 C CE . LYS A 1 144 ? -9.107 13.271 -19.330 1.00 82.40 144 A 1 ATOM 1187 N NZ . LYS A 1 144 ? -9.902 13.403 -20.574 1.00 74.48 144 A 1 ATOM 1188 N N . MET A 1 145 ? -6.652 10.025 -14.611 1.00 91.63 145 A 1 ATOM 1189 C CA . MET A 1 145 ? -6.839 10.378 -13.196 1.00 90.62 145 A 1 ATOM 1190 C C . MET A 1 145 ? -5.504 10.680 -12.510 1.00 90.82 145 A 1 ATOM 1191 O O . MET A 1 145 ? -5.358 11.711 -11.861 1.00 89.35 145 A 1 ATOM 1192 C CB . MET A 1 145 ? -7.560 9.250 -12.451 1.00 90.26 145 A 1 ATOM 1193 C CG . MET A 1 145 ? -9.009 9.084 -12.905 1.00 88.22 145 A 1 ATOM 1194 S SD . MET A 1 145 ? -10.005 7.939 -11.924 1.00 85.50 145 A 1 ATOM 1195 C CE . MET A 1 145 ? -9.113 6.384 -12.078 1.00 74.88 145 A 1 ATOM 1196 N N . LYS A 1 146 ? -4.487 9.846 -12.744 1.00 87.64 146 A 1 ATOM 1197 C CA . LYS A 1 146 ? -3.137 10.059 -12.205 1.00 86.06 146 A 1 ATOM 1198 C C . LYS A 1 146 ? -2.509 11.366 -12.697 1.00 87.09 146 A 1 ATOM 1199 O O . LYS A 1 146 ? -1.872 12.059 -11.910 1.00 86.17 146 A 1 ATOM 1200 C CB . LYS A 1 146 ? -2.271 8.842 -12.550 1.00 84.57 146 A 1 ATOM 1201 C CG . LYS A 1 146 ? -0.906 8.902 -11.859 1.00 75.52 146 A 1 ATOM 1202 C CD . LYS A 1 146 ? -0.095 7.638 -12.159 1.00 71.19 146 A 1 ATOM 1203 C CE . LYS A 1 146 ? 1.253 7.713 -11.441 1.00 64.06 146 A 1 ATOM 1204 N NZ . LYS A 1 146 ? 2.081 6.511 -11.720 1.00 56.47 146 A 1 ATOM 1205 N N . ARG A 1 147 ? -2.678 11.707 -13.979 1.00 87.80 147 A 1 ATOM 1206 C CA . ARG A 1 147 ? -2.184 12.975 -14.555 1.00 88.86 147 A 1 ATOM 1207 C C . ARG A 1 147 ? -2.876 14.199 -13.946 1.00 89.79 147 A 1 ATOM 1208 O O . ARG A 1 147 ? -2.225 15.217 -13.748 1.00 86.78 147 A 1 ATOM 1209 C CB . ARG A 1 147 ? -2.357 12.932 -16.086 1.00 89.88 147 A 1 ATOM 1210 C CG . ARG A 1 147 ? -1.791 14.178 -16.794 1.00 82.21 147 A 1 ATOM 1211 C CD . ARG A 1 147 ? -1.921 14.119 -18.321 1.00 81.41 147 A 1 ATOM 1212 N NE . ARG A 1 147 ? -3.334 14.101 -18.767 1.00 71.39 147 A 1 ATOM 1213 C CZ . ARG A 1 147 ? -3.803 14.483 -19.957 1.00 65.08 147 A 1 ATOM 1214 N NH1 . ARG A 1 147 ? -3.052 14.979 -20.889 1.00 59.47 147 A 1 ATOM 1215 N NH2 . ARG A 1 147 ? -5.066 14.376 -20.242 1.00 56.09 147 A 1 ATOM 1216 N N . LEU A 1 148 ? -4.164 14.083 -13.647 1.00 89.63 148 A 1 ATOM 1217 C CA . LEU A 1 148 ? -4.970 15.155 -13.053 1.00 88.87 148 A 1 ATOM 1218 C C . LEU A 1 148 ? -4.879 15.214 -11.518 1.00 89.87 148 A 1 ATOM 1219 O O . LEU A 1 148 ? -5.445 16.111 -10.915 1.00 85.98 148 A 1 ATOM 1220 C CB . LEU A 1 148 ? -6.425 15.007 -13.537 1.00 90.36 148 A 1 ATOM 1221 C CG . LEU A 1 148 ? -6.624 15.190 -15.055 1.00 89.02 148 A 1 ATOM 1222 C CD1 . LEU A 1 148 ? -8.082 14.910 -15.417 1.00 79.02 148 A 1 ATOM 1223 C CD2 . LEU A 1 148 ? -6.277 16.604 -15.531 1.00 79.07 148 A 1 ATOM 1224 N N . GLY A 1 149 ? -4.172 14.269 -10.888 1.00 87.87 149 A 1 ATOM 1225 C CA . GLY A 1 149 ? -4.022 14.217 -9.431 1.00 86.57 149 A 1 ATOM 1226 C C . GLY A 1 149 ? -5.260 13.727 -8.665 1.00 87.18 149 A 1 ATOM 1227 O O . GLY A 1 149 ? -5.273 13.823 -7.439 1.00 83.33 149 A 1 ATOM 1228 N N . ILE A 1 150 ? -6.251 13.174 -9.368 1.00 86.88 150 A 1 ATOM 1229 C CA . ILE A 1 150 ? -7.507 12.658 -8.811 1.00 87.22 150 A 1 ATOM 1230 C C . ILE A 1 150 ? -7.221 11.487 -7.867 1.00 85.67 150 A 1 ATOM 1231 O O . ILE A 1 150 ? -6.466 10.566 -8.207 1.00 82.18 150 A 1 ATOM 1232 C CB . ILE A 1 150 ? -8.470 12.275 -9.958 1.00 89.16 150 A 1 ATOM 1233 C CG1 . ILE A 1 150 ? -8.897 13.547 -10.728 1.00 88.32 150 A 1 ATOM 1234 C CG2 . ILE A 1 150 ? -9.705 11.514 -9.453 1.00 87.11 150 A 1 ATOM 1235 C CD1 . ILE A 1 150 ? -9.638 13.273 -12.038 1.00 85.39 150 A 1 ATOM 1236 N N . GLN A 1 151 ? -7.825 11.522 -6.686 1.00 83.98 151 A 1 ATOM 1237 C CA . GLN A 1 151 ? -7.722 10.487 -5.660 1.00 81.45 151 A 1 ATOM 1238 C C . GLN A 1 151 ? -9.022 9.663 -5.571 1.00 82.14 151 A 1 ATOM 1239 O O . GLN A 1 151 ? -10.088 10.152 -5.940 1.00 80.07 151 A 1 ATOM 1240 C CB . GLN A 1 151 ? -7.381 11.113 -4.299 1.00 78.04 151 A 1 ATOM 1241 C CG . GLN A 1 151 ? -6.066 11.903 -4.281 1.00 72.58 151 A 1 ATOM 1242 C CD . GLN A 1 151 ? -4.864 11.076 -4.729 1.00 66.43 151 A 1 ATOM 1243 O OE1 . GLN A 1 151 ? -4.422 10.127 -4.097 1.00 61.02 151 A 1 ATOM 1244 N NE2 . GLN A 1 151 ? -4.273 11.415 -5.860 1.00 56.34 151 A 1 ATOM 1245 N N . PRO A 1 152 ? -8.957 8.427 -5.062 1.00 77.99 152 A 1 ATOM 1246 C CA . PRO A 1 152 ? -10.163 7.687 -4.711 1.00 76.85 152 A 1 ATOM 1247 C C . PRO A 1 152 ? -11.061 8.493 -3.756 1.00 76.41 152 A 1 ATOM 1248 O O . PRO A 1 152 ? -10.563 9.109 -2.813 1.00 72.04 152 A 1 ATOM 1249 C CB . PRO A 1 152 ? -9.673 6.382 -4.081 1.00 75.43 152 A 1 ATOM 1250 C CG . PRO A 1 152 ? -8.287 6.194 -4.695 1.00 72.48 152 A 1 ATOM 1251 C CD . PRO A 1 152 ? -7.776 7.626 -4.821 1.00 75.04 152 A 1 ATOM 1252 N N . GLY A 1 153 ? -12.368 8.490 -4.020 1.00 76.00 153 A 1 ATOM 1253 C CA . GLY A 1 153 ? -13.379 9.311 -3.348 1.00 74.94 153 A 1 ATOM 1254 C C . GLY A 1 153 ? -13.715 10.628 -4.056 1.00 78.07 153 A 1 ATOM 1255 O O . GLY A 1 153 ? -14.711 11.248 -3.703 1.00 74.99 153 A 1 ATOM 1256 N N . ASP A 1 154 ? -12.932 11.049 -5.055 1.00 78.71 154 A 1 ATOM 1257 C CA . ASP A 1 154 ? -13.206 12.268 -5.815 1.00 81.49 154 A 1 ATOM 1258 C C . ASP A 1 154 ? -14.334 12.053 -6.845 1.00 83.46 154 A 1 ATOM 1259 O O . ASP A 1 154 ? -14.534 10.949 -7.367 1.00 83.02 154 A 1 ATOM 1260 C CB . ASP A 1 154 ? -11.936 12.790 -6.513 1.00 80.83 154 A 1 ATOM 1261 C CG . ASP A 1 154 ? -10.810 13.274 -5.584 1.00 79.62 154 A 1 ATOM 1262 O OD1 . ASP A 1 154 ? -11.046 13.528 -4.388 1.00 73.42 154 A 1 ATOM 1263 O OD2 . ASP A 1 154 ? -9.665 13.402 -6.092 1.00 71.90 154 A 1 ATOM 1264 N N . ASP A 1 155 ? -15.045 13.143 -7.189 1.00 82.47 155 A 1 ATOM 1265 C CA . ASP A 1 155 ? -16.009 13.172 -8.288 1.00 86.50 155 A 1 ATOM 1266 C C . ASP A 1 155 ? -15.284 13.204 -9.642 1.00 87.90 155 A 1 ATOM 1267 O O . ASP A 1 155 ? -14.506 14.112 -9.946 1.00 86.44 155 A 1 ATOM 1268 C CB . ASP A 1 155 ? -16.989 14.346 -8.117 1.00 85.78 155 A 1 ATOM 1269 C CG . ASP A 1 155 ? -18.156 14.325 -9.124 1.00 85.59 155 A 1 ATOM 1270 O OD1 . ASP A 1 155 ? -18.078 13.607 -10.147 1.00 79.41 155 A 1 ATOM 1271 O OD2 . ASP A 1 155 ? -19.145 15.047 -8.882 1.00 76.93 155 A 1 ATOM 1272 N N . ILE A 1 156 ? -15.556 12.197 -10.471 1.00 88.81 156 A 1 ATOM 1273 C CA . ILE A 1 156 ? -14.960 12.016 -11.798 1.00 90.90 156 A 1 ATOM 1274 C C . ILE A 1 156 ? -15.985 12.120 -12.938 1.00 92.59 156 A 1 ATOM 1275 O O . ILE A 1 156 ? -15.651 11.824 -14.085 1.00 91.93 156 A 1 ATOM 1276 C CB . ILE A 1 156 ? -14.119 10.728 -11.854 1.00 91.06 156 A 1 ATOM 1277 C CG1 . ILE A 1 156 ? -14.972 9.462 -11.625 1.00 88.44 156 A 1 ATOM 1278 C CG2 . ILE A 1 156 ? -12.956 10.805 -10.847 1.00 87.00 156 A 1 ATOM 1279 C CD1 . ILE A 1 156 ? -14.220 8.171 -11.969 1.00 86.43 156 A 1 ATOM 1280 N N . SER A 1 157 ? -17.197 12.588 -12.669 1.00 91.67 157 A 1 ATOM 1281 C CA . SER A 1 157 ? -18.303 12.710 -13.636 1.00 91.74 157 A 1 ATOM 1282 C C . SER A 1 157 ? -17.943 13.558 -14.864 1.00 92.12 157 A 1 ATOM 1283 O O . SER A 1 157 ? -18.456 13.351 -15.964 1.00 90.32 157 A 1 ATOM 1284 C CB . SER A 1 157 ? -19.516 13.367 -12.959 1.00 91.37 157 A 1 ATOM 1285 O OG . SER A 1 157 ? -19.867 12.681 -11.784 1.00 85.41 157 A 1 ATOM 1286 N N . HIS A 1 158 ? -17.017 14.502 -14.704 1.00 92.54 158 A 1 ATOM 1287 C CA . HIS A 1 158 ? -16.539 15.399 -15.758 1.00 92.15 158 A 1 ATOM 1288 C C . HIS A 1 158 ? -15.509 14.766 -16.714 1.00 92.63 158 A 1 ATOM 1289 O O . HIS A 1 158 ? -15.155 15.364 -17.738 1.00 89.86 158 A 1 ATOM 1290 C CB . HIS A 1 158 ? -15.977 16.656 -15.086 1.00 91.92 158 A 1 ATOM 1291 C CG . HIS A 1 158 ? -14.748 16.395 -14.246 1.00 90.42 158 A 1 ATOM 1292 N ND1 . HIS A 1 158 ? -14.719 15.952 -12.939 1.00 81.44 158 A 1 ATOM 1293 C CD2 . HIS A 1 158 ? -13.447 16.545 -14.655 1.00 80.52 158 A 1 ATOM 1294 C CE1 . HIS A 1 158 ? -13.432 15.845 -12.570 1.00 82.46 158 A 1 ATOM 1295 N NE2 . HIS A 1 158 ? -12.621 16.188 -13.580 1.00 84.01 158 A 1 ATOM 1296 N N . LEU A 1 159 ? -14.981 13.581 -16.404 1.00 91.62 159 A 1 ATOM 1297 C CA . LEU A 1 159 ? -13.943 12.945 -17.211 1.00 91.61 159 A 1 ATOM 1298 C C . LEU A 1 159 ? -14.525 12.326 -18.485 1.00 91.89 159 A 1 ATOM 1299 O O . LEU A 1 159 ? -15.370 11.448 -18.444 1.00 89.56 159 A 1 ATOM 1300 C CB . LEU A 1 159 ? -13.173 11.896 -16.397 1.00 91.99 159 A 1 ATOM 1301 C CG . LEU A 1 159 ? -12.384 12.438 -15.192 1.00 90.68 159 A 1 ATOM 1302 C CD1 . LEU A 1 159 ? -11.562 11.292 -14.608 1.00 79.14 159 A 1 ATOM 1303 C CD2 . LEU A 1 159 ? -11.419 13.560 -15.578 1.00 79.75 159 A 1 ATOM 1304 N N . LYS A 1 160 ? -13.992 12.737 -19.641 1.00 92.11 160 A 1 ATOM 1305 C CA . LYS A 1 160 ? -14.354 12.173 -20.953 1.00 90.96 160 A 1 ATOM 1306 C C . LYS A 1 160 ? -13.125 11.585 -21.649 1.00 91.98 160 A 1 ATOM 1307 O O . LYS A 1 160 ? -12.028 12.145 -21.516 1.00 89.71 160 A 1 ATOM 1308 C CB . LYS A 1 160 ? -15.059 13.235 -21.814 1.00 87.43 160 A 1 ATOM 1309 C CG . LYS A 1 160 ? -16.395 13.656 -21.180 1.00 78.96 160 A 1 ATOM 1310 C CD . LYS A 1 160 ? -17.171 14.663 -22.042 1.00 71.48 160 A 1 ATOM 1311 C CE . LYS A 1 160 ? -18.454 15.047 -21.294 1.00 63.66 160 A 1 ATOM 1312 N NZ . LYS A 1 160 ? -19.279 16.045 -22.021 1.00 53.66 160 A 1 ATOM 1313 N N . PRO A 1 161 ? -13.272 10.470 -22.392 1.00 91.95 161 A 1 ATOM 1314 C CA . PRO A 1 161 ? -12.180 9.916 -23.183 1.00 90.10 161 A 1 ATOM 1315 C C . PRO A 1 161 ? -11.753 10.907 -24.279 1.00 88.69 161 A 1 ATOM 1316 O O . PRO A 1 161 ? -12.574 11.474 -24.999 1.00 83.67 161 A 1 ATOM 1317 C CB . PRO A 1 161 ? -12.699 8.587 -23.740 1.00 88.13 161 A 1 ATOM 1318 C CG . PRO A 1 161 ? -14.218 8.743 -23.733 1.00 86.12 161 A 1 ATOM 1319 C CD . PRO A 1 161 ? -14.488 9.689 -22.566 1.00 89.93 161 A 1 ATOM 1320 N N . GLU A 1 162 ? -10.451 11.120 -24.413 1.00 89.04 162 A 1 ATOM 1321 C CA . GLU A 1 162 ? -9.885 11.923 -25.501 1.00 86.09 162 A 1 ATOM 1322 C C . GLU A 1 162 ? -9.831 11.067 -26.775 1.00 84.09 162 A 1 ATOM 1323 O O . GLU A 1 162 ? -9.205 10.004 -26.798 1.00 77.64 162 A 1 ATOM 1324 C CB . GLU A 1 162 ? -8.498 12.463 -25.112 1.00 82.39 162 A 1 ATOM 1325 C CG . GLU A 1 162 ? -8.584 13.610 -24.080 1.00 73.77 162 A 1 ATOM 1326 C CD . GLU A 1 162 ? -7.233 13.971 -23.433 1.00 69.79 162 A 1 ATOM 1327 O OE1 . GLU A 1 162 ? -7.260 14.512 -22.295 1.00 63.87 162 A 1 ATOM 1328 O OE2 . GLU A 1 162 ? -6.173 13.633 -24.000 1.00 62.48 162 A 1 ATOM 1329 N N . LYS A 1 163 ? -10.474 11.519 -27.860 1.00 78.69 163 A 1 ATOM 1330 C CA . LYS A 1 163 ? -10.333 10.879 -29.174 1.00 75.88 163 A 1 ATOM 1331 C C . LYS A 1 163 ? -8.883 11.066 -29.638 1.00 73.61 163 A 1 ATOM 1332 O O . LYS A 1 163 ? -8.462 12.191 -29.899 1.00 67.34 163 A 1 ATOM 1333 C CB . LYS A 1 163 ? -11.336 11.448 -30.195 1.00 70.10 163 A 1 ATOM 1334 C CG . LYS A 1 163 ? -12.795 11.049 -29.891 1.00 62.64 163 A 1 ATOM 1335 C CD . LYS A 1 163 ? -13.760 11.531 -30.991 1.00 59.33 163 A 1 ATOM 1336 C CE . LYS A 1 163 ? -15.203 11.106 -30.675 1.00 53.19 163 A 1 ATOM 1337 N NZ . LYS A 1 163 ? -16.167 11.536 -31.718 1.00 46.14 163 A 1 ATOM 1338 N N . ARG A 1 164 ? -8.127 9.970 -29.754 1.00 73.64 164 A 1 ATOM 1339 C CA . ARG A 1 164 ? -6.811 10.006 -30.410 1.00 71.60 164 A 1 ATOM 1340 C C . ARG A 1 164 ? -7.019 10.466 -31.858 1.00 70.30 164 A 1 ATOM 1341 O O . ARG A 1 164 ? -7.623 9.740 -32.646 1.00 62.88 164 A 1 ATOM 1342 C CB . ARG A 1 164 ? -6.122 8.628 -30.347 1.00 65.77 164 A 1 ATOM 1343 C CG . ARG A 1 164 ? -4.997 8.572 -29.303 1.00 58.02 164 A 1 ATOM 1344 C CD . ARG A 1 164 ? -4.363 7.174 -29.269 1.00 55.18 164 A 1 ATOM 1345 N NE . ARG A 1 164 ? -3.122 7.146 -28.470 1.00 49.88 164 A 1 ATOM 1346 C CZ . ARG A 1 164 ? -2.405 6.073 -28.173 1.00 45.16 164 A 1 ATOM 1347 N NH1 . ARG A 1 164 ? -2.778 4.871 -28.524 1.00 44.09 164 A 1 ATOM 1348 N NH2 . ARG A 1 164 ? -1.286 6.186 -27.517 1.00 41.46 164 A 1 ATOM 1349 N N . GLY A 1 165 ? -6.546 11.661 -32.195 1.00 65.91 165 A 1 ATOM 1350 C CA . GLY A 1 165 ? -6.481 12.113 -33.583 1.00 67.05 165 A 1 ATOM 1351 C C . GLY A 1 165 ? -5.675 11.100 -34.404 1.00 65.64 165 A 1 ATOM 1352 O O . GLY A 1 165 ? -4.582 10.706 -33.992 1.00 62.03 165 A 1 ATOM 1353 N N . ARG A 1 166 ? -6.230 10.645 -35.543 1.00 54.74 166 A 1 ATOM 1354 C CA . ARG A 1 166 ? -5.467 9.877 -36.535 1.00 58.23 166 A 1 ATOM 1355 C C . ARG A 1 166 ? -4.206 10.679 -36.873 1.00 56.07 166 A 1 ATOM 1356 O O . ARG A 1 166 ? -4.318 11.844 -37.258 1.00 54.42 166 A 1 ATOM 1357 C CB . ARG A 1 166 ? -6.301 9.627 -37.808 1.00 55.74 166 A 1 ATOM 1358 C CG . ARG A 1 166 ? -7.154 8.345 -37.747 1.00 50.13 166 A 1 ATOM 1359 C CD . ARG A 1 166 ? -8.006 8.193 -39.021 1.00 48.95 166 A 1 ATOM 1360 N NE . ARG A 1 166 ? -8.620 6.853 -39.133 1.00 44.76 166 A 1 ATOM 1361 C CZ . ARG A 1 166 ? -9.618 6.497 -39.932 1.00 40.77 166 A 1 ATOM 1362 N NH1 . ARG A 1 166 ? -10.242 7.356 -40.689 1.00 40.91 166 A 1 ATOM 1363 N NH2 . ARG A 1 166 ? -10.011 5.253 -39.994 1.00 39.63 166 A 1 ATOM 1364 N N . LYS A 1 167 ? -3.021 10.082 -36.723 1.00 52.67 167 A 1 ATOM 1365 C CA . LYS A 1 167 ? -1.805 10.619 -37.346 1.00 56.14 167 A 1 ATOM 1366 C C . LYS A 1 167 ? -2.104 10.747 -38.842 1.00 53.94 167 A 1 ATOM 1367 O O . LYS A 1 167 ? -2.412 9.738 -39.474 1.00 52.03 167 A 1 ATOM 1368 C CB . LYS A 1 167 ? -0.594 9.695 -37.120 1.00 53.77 167 A 1 ATOM 1369 C CG . LYS A 1 167 ? 0.147 9.962 -35.798 1.00 48.82 167 A 1 ATOM 1370 C CD . LYS A 1 167 ? 1.397 9.068 -35.713 1.00 47.43 167 A 1 ATOM 1371 C CE . LYS A 1 167 ? 2.268 9.416 -34.503 1.00 42.82 167 A 1 ATOM 1372 N NZ . LYS A 1 167 ? 3.516 8.611 -34.491 1.00 37.85 167 A 1 ATOM 1373 N N . LYS A 1 168 ? -2.086 11.978 -39.372 1.00 49.93 168 A 1 ATOM 1374 C CA . LYS A 1 168 ? -2.001 12.169 -40.821 1.00 54.89 168 A 1 ATOM 1375 C C . LYS A 1 168 ? -0.679 11.533 -41.253 1.00 53.65 168 A 1 ATOM 1376 O O . LYS A 1 168 ? 0.372 11.930 -40.753 1.00 50.97 168 A 1 ATOM 1377 C CB . LYS A 1 168 ? -2.059 13.660 -41.197 1.00 52.12 168 A 1 ATOM 1378 C CG . LYS A 1 168 ? -3.493 14.232 -41.214 1.00 46.89 168 A 1 ATOM 1379 C CD . LYS A 1 168 ? -3.486 15.701 -41.683 1.00 44.21 168 A 1 ATOM 1380 C CE . LYS A 1 168 ? -4.906 16.248 -41.871 1.00 38.73 168 A 1 ATOM 1381 N NZ . LYS A 1 168 ? -4.896 17.645 -42.383 1.00 34.49 168 A 1 ATOM 1382 N N . GLU A 1 169 ? -0.756 10.512 -42.095 1.00 48.52 169 A 1 ATOM 1383 C CA . GLU A 1 169 ? 0.396 10.070 -42.872 1.00 54.57 169 A 1 ATOM 1384 C C . GLU A 1 169 ? 0.822 11.260 -43.730 1.00 52.23 169 A 1 ATOM 1385 O O . GLU A 1 169 ? 0.026 11.789 -44.513 1.00 50.34 169 A 1 ATOM 1386 C CB . GLU A 1 169 ? 0.030 8.833 -43.706 1.00 53.85 169 A 1 ATOM 1387 C CG . GLU A 1 169 ? -0.097 7.586 -42.808 1.00 48.01 169 A 1 ATOM 1388 C CD . GLU A 1 169 ? -0.613 6.327 -43.529 1.00 45.63 169 A 1 ATOM 1389 O OE1 . GLU A 1 169 ? -0.408 5.236 -42.949 1.00 42.86 169 A 1 ATOM 1390 O OE2 . GLU A 1 169 ? -1.273 6.473 -44.578 1.00 44.17 169 A 1 ATOM 1391 N N . CYS A 1 170 ? 2.025 11.774 -43.487 1.00 41.88 170 A 1 ATOM 1392 C CA . CYS A 1 170 ? 2.667 12.703 -44.408 1.00 51.70 170 A 1 ATOM 1393 C C . CYS A 1 170 ? 3.127 11.864 -45.604 1.00 49.81 170 A 1 ATOM 1394 O O . CYS A 1 170 ? 3.970 10.985 -45.430 1.00 46.61 170 A 1 ATOM 1395 C CB . CYS A 1 170 ? 3.835 13.414 -43.722 1.00 49.59 170 A 1 ATOM 1396 S SG . CYS A 1 170 ? 3.226 14.535 -42.416 1.00 42.51 170 A 1 ATOM 1397 N N . SER A 1 171 ? 2.491 12.107 -46.756 1.00 42.14 171 A 1 ATOM 1398 C CA . SER A 1 171 ? 2.984 11.683 -48.068 1.00 55.42 171 A 1 ATOM 1399 C C . SER A 1 171 ? 4.292 12.389 -48.409 1.00 50.18 171 A 1 ATOM 1400 O O . SER A 1 171 ? 4.454 13.547 -47.963 1.00 44.62 171 A 1 ATOM 1401 C CB . SER A 1 171 ? 1.950 11.999 -49.152 1.00 51.34 171 A 1 ATOM 1402 O OG . SER A 1 171 ? 0.683 11.514 -48.756 1.00 44.71 171 A 1 ATOM 1403 O OXT . SER A 1 171 ? 5.062 11.759 -49.166 1.00 45.50 171 A 1 #