# 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_lig-zn2 # _entry.id lig-zn2 # loop_ _atom_type.symbol C N O S Zn # 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" ? ? LIG_B ? ? "[Zn+2]" ? non-polymer "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 # loop_ _entity.id _entity.pdbx_description _entity.type 1 . polymer 2 . non-polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ASN 2 1 n THR 3 1 n GLN 4 1 n ARG 5 1 n LYS 6 1 n TYR 7 1 n GLY 8 1 n ARG 9 1 n THR 10 1 n TRP 11 1 n HIS 12 1 n TYR 13 1 n PRO 14 1 n PHE 15 1 n SER 16 1 n PRO 17 1 n GLY 18 1 n THR 19 1 n THR 20 1 n SER 21 1 n ASP 22 1 n ASP 23 1 n ARG 24 1 n ILE 25 1 n ASN 26 1 n THR 27 1 n ASP 28 1 n TYR 29 1 n TRP 30 1 n GLN 31 1 n ASP 32 1 n LEU 33 1 n LYS 34 1 n ALA 35 1 n ILE 36 1 n THR 37 1 n GLN 38 1 n LEU 39 1 n VAL 40 1 n HIS 41 1 n THR 42 1 n GLU 43 1 n LYS 44 1 n LEU 45 1 n ASP 46 1 n GLY 47 1 n GLU 48 1 n ASN 49 1 n ASN 50 1 n CYS 51 1 n LEU 52 1 n ASN 53 1 n ARG 54 1 n TYR 55 1 n GLY 56 1 n VAL 57 1 n PHE 58 1 n ALA 59 1 n ARG 60 1 n SER 61 1 n HIS 62 1 n ALA 63 1 n THR 64 1 n PRO 65 1 n THR 66 1 n GLN 67 1 n SER 68 1 n ALA 69 1 n TRP 70 1 n THR 71 1 n TYR 72 1 n LYS 73 1 n ILE 74 1 n ARG 75 1 n GLN 76 1 n ARG 77 1 n TRP 78 1 n GLN 79 1 n LEU 80 1 n LEU 81 1 n LYS 82 1 n ASN 83 1 n ASP 84 1 n LEU 85 1 n GLY 86 1 n ASP 87 1 n LEU 88 1 n GLU 89 1 n LEU 90 1 n PHE 91 1 n GLY 92 1 n GLU 93 1 n ASN 94 1 n LEU 95 1 n TYR 96 1 n ALA 97 1 n VAL 98 1 n HIS 99 1 n SER 100 1 n ILE 101 1 n GLU 102 1 n TYR 103 1 n ARG 104 1 n ALA 105 1 n LEU 106 1 n GLU 107 1 n GLN 108 1 n ASP 109 1 n PHE 110 1 n TYR 111 1 n LEU 112 1 n PHE 113 1 n ALA 114 1 n VAL 115 1 n ARG 116 1 n CYS 117 1 n GLN 118 1 n ASP 119 1 n MET 120 1 n TRP 121 1 n LEU 122 1 n SER 123 1 n TRP 124 1 n GLU 125 1 n GLU 126 1 n VAL 127 1 n GLN 128 1 n PHE 129 1 n TYR 130 1 n ALA 131 1 n ALA 132 1 n LEU 133 1 n PHE 134 1 n ASP 135 1 n PHE 136 1 n PRO 137 1 n CYS 138 1 n VAL 139 1 n PRO 140 1 n GLU 141 1 n ILE 142 1 n SER 143 1 n GLY 144 1 n PRO 145 1 n GLN 146 1 n PRO 147 1 n GLY 148 1 n ASN 149 1 n ASP 150 1 n GLU 151 1 n LYS 152 1 n SER 153 1 n TRP 154 1 n GLN 155 1 n ARG 156 1 n ASP 157 1 n PHE 158 1 n LEU 159 1 n ALA 160 1 n LEU 161 1 n ALA 162 1 n ASN 163 1 n ALA 164 1 n ARG 165 1 n GLY 166 1 n THR 167 1 n PHE 168 1 n ASP 169 1 n PRO 170 1 n TRP 171 1 n ASP 172 1 n THR 173 1 n GLN 174 1 n THR 175 1 n TRP 176 1 n GLN 177 1 n PRO 178 1 n CYS 179 1 n THR 180 1 n LEU 181 1 n GLU 182 1 n GLY 183 1 n ILE 184 1 n VAL 185 1 n SER 186 1 n ARG 187 1 n ASN 188 1 n HIS 189 1 n ASP 190 1 n ALA 191 1 n PHE 192 1 n SER 193 1 n VAL 194 1 n ALA 195 1 n ASP 196 1 n PHE 197 1 n SER 198 1 n HIS 199 1 n ASN 200 1 n VAL 201 1 n PHE 202 1 n LYS 203 1 n TYR 204 1 n VAL 205 1 n ARG 206 1 n LYS 207 1 n ASN 208 1 n HIS 209 1 n VAL 210 1 n LYS 211 1 n THR 212 1 n THR 213 1 n VAL 214 1 n HIS 215 1 n TRP 216 1 n LYS 217 1 n ARG 218 1 n HIS 219 1 n TRP 220 1 n GLN 221 1 n ARG 222 1 n ALA 223 1 n ARG 224 1 n MET 225 1 n ALA 226 1 n HIS 227 1 n GLU 228 1 n PHE 229 1 n VAL 230 1 n TYR 231 1 n GLY 232 1 n GLU 233 1 n GLN 234 1 n SER 235 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2026-05-11 15:55:59)" _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 90.68 _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 37.09 1 1 A ASN 2 2 43.84 1 2 A THR 3 2 43.90 1 3 A GLN 4 2 44.53 1 4 A ARG 5 2 58.57 1 5 A LYS 6 2 69.39 1 6 A TYR 7 2 82.56 1 7 A GLY 8 2 80.40 1 8 A ARG 9 2 68.76 1 9 A THR 10 2 90.61 1 10 A TRP 11 2 87.21 1 11 A HIS 12 2 94.19 1 12 A TYR 13 2 97.86 1 13 A PRO 14 2 96.19 1 14 A PHE 15 2 96.74 1 15 A SER 16 2 95.66 1 16 A PRO 17 2 92.63 1 17 A GLY 18 2 88.16 1 18 A THR 19 2 82.82 1 19 A THR 20 2 76.08 1 20 A SER 21 2 76.65 1 21 A ASP 22 2 74.07 1 22 A ASP 23 2 84.47 1 23 A ARG 24 2 76.18 1 24 A ILE 25 2 92.70 1 25 A ASN 26 2 95.59 1 26 A THR 27 2 93.07 1 27 A ASP 28 2 92.43 1 28 A TYR 29 2 98.17 1 29 A TRP 30 2 97.70 1 30 A GLN 31 2 88.34 1 31 A ASP 32 2 97.78 1 32 A LEU 33 2 97.60 1 33 A LYS 34 2 89.64 1 34 A ALA 35 2 97.64 1 35 A ILE 36 2 98.29 1 36 A THR 37 2 95.44 1 37 A GLN 38 2 95.21 1 38 A LEU 39 2 97.77 1 39 A VAL 40 2 96.96 1 40 A HIS 41 2 97.90 1 41 A THR 42 2 98.63 1 42 A GLU 43 2 98.05 1 43 A LYS 44 2 94.04 1 44 A LEU 45 2 97.69 1 45 A ASP 46 2 95.56 1 46 A GLY 47 2 95.79 1 47 A GLU 48 2 94.78 1 48 A ASN 49 2 92.17 1 49 A ASN 50 2 95.43 1 50 A CYS 51 2 96.47 1 51 A LEU 52 2 97.10 1 52 A ASN 53 2 95.45 1 53 A ARG 54 2 90.52 1 54 A TYR 55 2 92.59 1 55 A GLY 56 2 96.53 1 56 A VAL 57 2 97.30 1 57 A PHE 58 2 95.28 1 58 A ALA 59 2 90.46 1 59 A ARG 60 2 67.59 1 60 A SER 61 2 78.28 1 61 A HIS 62 2 76.43 1 62 A ALA 63 2 85.68 1 63 A THR 64 2 88.20 1 64 A PRO 65 2 93.93 1 65 A THR 66 2 94.10 1 66 A GLN 67 2 86.52 1 67 A SER 68 2 96.27 1 68 A ALA 69 2 97.05 1 69 A TRP 70 2 96.06 1 70 A THR 71 2 97.92 1 71 A TYR 72 2 95.48 1 72 A LYS 73 2 94.54 1 73 A ILE 74 2 98.31 1 74 A ARG 75 2 96.43 1 75 A GLN 76 2 90.81 1 76 A ARG 77 2 92.62 1 77 A TRP 78 2 97.99 1 78 A GLN 79 2 92.01 1 79 A LEU 80 2 95.68 1 80 A LEU 81 2 95.78 1 81 A LYS 82 2 95.48 1 82 A ASN 83 2 95.34 1 83 A ASP 84 2 95.75 1 84 A LEU 85 2 97.68 1 85 A GLY 86 2 97.15 1 86 A ASP 87 2 95.62 1 87 A LEU 88 2 97.33 1 88 A GLU 89 2 94.36 1 89 A LEU 90 2 97.97 1 90 A PHE 91 2 96.94 1 91 A GLY 92 2 97.88 1 92 A GLU 93 2 95.40 1 93 A ASN 94 2 97.62 1 94 A LEU 95 2 98.13 1 95 A TYR 96 2 97.56 1 96 A ALA 97 2 97.89 1 97 A VAL 98 2 96.84 1 98 A HIS 99 2 93.04 1 99 A SER 100 2 91.92 1 100 A ILE 101 2 96.04 1 101 A GLU 102 2 95.22 1 102 A TYR 103 2 97.92 1 103 A ARG 104 2 93.97 1 104 A ALA 105 2 97.34 1 105 A LEU 106 2 97.19 1 106 A GLU 107 2 86.25 1 107 A GLN 108 2 91.25 1 108 A ASP 109 2 94.63 1 109 A PHE 110 2 97.99 1 110 A TYR 111 2 98.48 1 111 A LEU 112 2 96.83 1 112 A PHE 113 2 97.83 1 113 A ALA 114 2 98.32 1 114 A VAL 115 2 98.23 1 115 A ARG 116 2 93.51 1 116 A CYS 117 2 96.88 1 117 A GLN 118 2 89.26 1 118 A ASP 119 2 90.12 1 119 A MET 120 2 94.73 1 120 A TRP 121 2 96.58 1 121 A LEU 122 2 98.36 1 122 A SER 123 2 98.86 1 123 A TRP 124 2 98.79 1 124 A GLU 125 2 90.01 1 125 A GLU 126 2 96.14 1 126 A VAL 127 2 98.88 1 127 A GLN 128 2 96.15 1 128 A PHE 129 2 97.50 1 129 A TYR 130 2 98.28 1 130 A ALA 131 2 98.75 1 131 A ALA 132 2 98.60 1 132 A LEU 133 2 95.63 1 133 A PHE 134 2 97.87 1 134 A ASP 135 2 94.65 1 135 A PHE 136 2 98.38 1 136 A PRO 137 2 98.65 1 137 A CYS 138 2 98.75 1 138 A VAL 139 2 98.59 1 139 A PRO 140 2 98.55 1 140 A GLU 141 2 97.34 1 141 A ILE 142 2 98.20 1 142 A SER 143 2 95.73 1 143 A GLY 144 2 98.25 1 144 A PRO 145 2 98.43 1 145 A GLN 146 2 97.46 1 146 A PRO 147 2 96.40 1 147 A GLY 148 2 94.54 1 148 A ASN 149 2 87.69 1 149 A ASP 150 2 95.52 1 150 A GLU 151 2 96.74 1 151 A LYS 152 2 86.09 1 152 A SER 153 2 95.68 1 153 A TRP 154 2 98.30 1 154 A GLN 155 2 91.58 1 155 A ARG 156 2 88.45 1 156 A ASP 157 2 97.25 1 157 A PHE 158 2 98.27 1 158 A LEU 159 2 96.55 1 159 A ALA 160 2 97.03 1 160 A LEU 161 2 96.79 1 161 A ALA 162 2 95.47 1 162 A ASN 163 2 87.50 1 163 A ALA 164 2 94.08 1 164 A ARG 165 2 84.95 1 165 A GLY 166 2 95.61 1 166 A THR 167 2 95.68 1 167 A PHE 168 2 98.01 1 168 A ASP 169 2 96.25 1 169 A PRO 170 2 97.16 1 170 A TRP 171 2 95.25 1 171 A ASP 172 2 92.03 1 172 A THR 173 2 91.78 1 173 A GLN 174 2 81.04 1 174 A THR 175 2 90.85 1 175 A TRP 176 2 82.91 1 176 A GLN 177 2 89.50 1 177 A PRO 178 2 95.36 1 178 A CYS 179 2 95.20 1 179 A THR 180 2 93.37 1 180 A LEU 181 2 94.85 1 181 A GLU 182 2 92.30 1 182 A GLY 183 2 97.37 1 183 A ILE 184 2 97.84 1 184 A VAL 185 2 98.23 1 185 A SER 186 2 98.66 1 186 A ARG 187 2 95.63 1 187 A ASN 188 2 98.47 1 188 A HIS 189 2 94.85 1 189 A ASP 190 2 97.00 1 190 A ALA 191 2 98.69 1 191 A PHE 192 2 97.78 1 192 A SER 193 2 94.81 1 193 A VAL 194 2 93.56 1 194 A ALA 195 2 94.11 1 195 A ASP 196 2 94.48 1 196 A PHE 197 2 95.22 1 197 A SER 198 2 94.52 1 198 A HIS 199 2 94.43 1 199 A ASN 200 2 97.22 1 200 A VAL 201 2 97.64 1 201 A PHE 202 2 98.02 1 202 A LYS 203 2 93.47 1 203 A TYR 204 2 96.38 1 204 A VAL 205 2 94.77 1 205 A ARG 206 2 89.91 1 206 A LYS 207 2 76.04 1 207 A ASN 208 2 68.69 1 208 A HIS 209 2 69.77 1 209 A VAL 210 2 68.78 1 210 A LYS 211 2 62.61 1 211 A THR 212 2 72.48 1 212 A THR 213 2 72.62 1 213 A VAL 214 2 76.06 1 214 A HIS 215 2 75.93 1 215 A TRP 216 2 92.48 1 216 A LYS 217 2 84.69 1 217 A ARG 218 2 77.43 1 218 A HIS 219 2 84.70 1 219 A TRP 220 2 95.96 1 220 A GLN 221 2 87.53 1 221 A ARG 222 2 89.20 1 222 A ALA 223 2 97.89 1 223 A ARG 224 2 88.20 1 224 A MET 225 2 95.12 1 225 A ALA 226 2 95.65 1 226 A HIS 227 2 90.18 1 227 A GLU 228 2 93.48 1 228 A PHE 229 2 90.12 1 229 A VAL 230 2 73.03 1 230 A TYR 231 2 55.18 1 231 A GLY 232 2 61.37 1 232 A GLU 233 2 50.58 1 233 A GLN 234 2 48.23 1 234 A SER 235 2 44.77 1 235 B LIG_B . 2 68.49 1 236 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # loop_ _ma_target_entity.data_id _ma_target_entity.entity_id _ma_target_entity.origin 1 1 . 1 2 . # loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.details _ma_target_entity_instance.entity_id A . 1 B . 2 # 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 ? # _pdbx_nonpoly_scheme.asym_id B _pdbx_nonpoly_scheme.auth_seq_num 1 _pdbx_nonpoly_scheme.entity_id 2 _pdbx_nonpoly_scheme.mon_id LIG_B _pdbx_nonpoly_scheme.pdb_ins_code . _pdbx_nonpoly_scheme.pdb_seq_num 1 _pdbx_nonpoly_scheme.pdb_strand_id B # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ASN . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n HIS . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n TRP . 30 A 30 A 31 1 n GLN . 31 A 31 A 32 1 n ASP . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n ILE . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n VAL . 40 A 40 A 41 1 n HIS . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n ASN . 50 A 50 A 51 1 n CYS . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n ASN . 53 A 53 A 54 1 n ARG . 54 A 54 A 55 1 n TYR . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n PHE . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n ARG . 60 A 60 A 61 1 n SER . 61 A 61 A 62 1 n HIS . 62 A 62 A 63 1 n ALA . 63 A 63 A 64 1 n THR . 64 A 64 A 65 1 n PRO . 65 A 65 A 66 1 n THR . 66 A 66 A 67 1 n GLN . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n ALA . 69 A 69 A 70 1 n TRP . 70 A 70 A 71 1 n THR . 71 A 71 A 72 1 n TYR . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n ILE . 74 A 74 A 75 1 n ARG . 75 A 75 A 76 1 n GLN . 76 A 76 A 77 1 n ARG . 77 A 77 A 78 1 n TRP . 78 A 78 A 79 1 n GLN . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n ASN . 83 A 83 A 84 1 n ASP . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n GLY . 86 A 86 A 87 1 n ASP . 87 A 87 A 88 1 n LEU . 88 A 88 A 89 1 n GLU . 89 A 89 A 90 1 n LEU . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n GLY . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n ASN . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n TYR . 96 A 96 A 97 1 n ALA . 97 A 97 A 98 1 n VAL . 98 A 98 A 99 1 n HIS . 99 A 99 A 100 1 n SER . 100 A 100 A 101 1 n ILE . 101 A 101 A 102 1 n GLU . 102 A 102 A 103 1 n TYR . 103 A 103 A 104 1 n ARG . 104 A 104 A 105 1 n ALA . 105 A 105 A 106 1 n LEU . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n GLN . 108 A 108 A 109 1 n ASP . 109 A 109 A 110 1 n PHE . 110 A 110 A 111 1 n TYR . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n PHE . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n VAL . 115 A 115 A 116 1 n ARG . 116 A 116 A 117 1 n CYS . 117 A 117 A 118 1 n GLN . 118 A 118 A 119 1 n ASP . 119 A 119 A 120 1 n MET . 120 A 120 A 121 1 n TRP . 121 A 121 A 122 1 n LEU . 122 A 122 A 123 1 n SER . 123 A 123 A 124 1 n TRP . 124 A 124 A 125 1 n GLU . 125 A 125 A 126 1 n GLU . 126 A 126 A 127 1 n VAL . 127 A 127 A 128 1 n GLN . 128 A 128 A 129 1 n PHE . 129 A 129 A 130 1 n TYR . 130 A 130 A 131 1 n ALA . 131 A 131 A 132 1 n ALA . 132 A 132 A 133 1 n LEU . 133 A 133 A 134 1 n PHE . 134 A 134 A 135 1 n ASP . 135 A 135 A 136 1 n PHE . 136 A 136 A 137 1 n PRO . 137 A 137 A 138 1 n CYS . 138 A 138 A 139 1 n VAL . 139 A 139 A 140 1 n PRO . 140 A 140 A 141 1 n GLU . 141 A 141 A 142 1 n ILE . 142 A 142 A 143 1 n SER . 143 A 143 A 144 1 n GLY . 144 A 144 A 145 1 n PRO . 145 A 145 A 146 1 n GLN . 146 A 146 A 147 1 n PRO . 147 A 147 A 148 1 n GLY . 148 A 148 A 149 1 n ASN . 149 A 149 A 150 1 n ASP . 150 A 150 A 151 1 n GLU . 151 A 151 A 152 1 n LYS . 152 A 152 A 153 1 n SER . 153 A 153 A 154 1 n TRP . 154 A 154 A 155 1 n GLN . 155 A 155 A 156 1 n ARG . 156 A 156 A 157 1 n ASP . 157 A 157 A 158 1 n PHE . 158 A 158 A 159 1 n LEU . 159 A 159 A 160 1 n ALA . 160 A 160 A 161 1 n LEU . 161 A 161 A 162 1 n ALA . 162 A 162 A 163 1 n ASN . 163 A 163 A 164 1 n ALA . 164 A 164 A 165 1 n ARG . 165 A 165 A 166 1 n GLY . 166 A 166 A 167 1 n THR . 167 A 167 A 168 1 n PHE . 168 A 168 A 169 1 n ASP . 169 A 169 A 170 1 n PRO . 170 A 170 A 171 1 n TRP . 171 A 171 A 172 1 n ASP . 172 A 172 A 173 1 n THR . 173 A 173 A 174 1 n GLN . 174 A 174 A 175 1 n THR . 175 A 175 A 176 1 n TRP . 176 A 176 A 177 1 n GLN . 177 A 177 A 178 1 n PRO . 178 A 178 A 179 1 n CYS . 179 A 179 A 180 1 n THR . 180 A 180 A 181 1 n LEU . 181 A 181 A 182 1 n GLU . 182 A 182 A 183 1 n GLY . 183 A 183 A 184 1 n ILE . 184 A 184 A 185 1 n VAL . 185 A 185 A 186 1 n SER . 186 A 186 A 187 1 n ARG . 187 A 187 A 188 1 n ASN . 188 A 188 A 189 1 n HIS . 189 A 189 A 190 1 n ASP . 190 A 190 A 191 1 n ALA . 191 A 191 A 192 1 n PHE . 192 A 192 A 193 1 n SER . 193 A 193 A 194 1 n VAL . 194 A 194 A 195 1 n ALA . 195 A 195 A 196 1 n ASP . 196 A 196 A 197 1 n PHE . 197 A 197 A 198 1 n SER . 198 A 198 A 199 1 n HIS . 199 A 199 A 200 1 n ASN . 200 A 200 A 201 1 n VAL . 201 A 201 A 202 1 n PHE . 202 A 202 A 203 1 n LYS . 203 A 203 A 204 1 n TYR . 204 A 204 A 205 1 n VAL . 205 A 205 A 206 1 n ARG . 206 A 206 A 207 1 n LYS . 207 A 207 A 208 1 n ASN . 208 A 208 A 209 1 n HIS . 209 A 209 A 210 1 n VAL . 210 A 210 A 211 1 n LYS . 211 A 211 A 212 1 n THR . 212 A 212 A 213 1 n THR . 213 A 213 A 214 1 n VAL . 214 A 214 A 215 1 n HIS . 215 A 215 A 216 1 n TRP . 216 A 216 A 217 1 n LYS . 217 A 217 A 218 1 n ARG . 218 A 218 A 219 1 n HIS . 219 A 219 A 220 1 n TRP . 220 A 220 A 221 1 n GLN . 221 A 221 A 222 1 n ARG . 222 A 222 A 223 1 n ALA . 223 A 223 A 224 1 n ARG . 224 A 224 A 225 1 n MET . 225 A 225 A 226 1 n ALA . 226 A 226 A 227 1 n HIS . 227 A 227 A 228 1 n GLU . 228 A 228 A 229 1 n PHE . 229 A 229 A 230 1 n VAL . 230 A 230 A 231 1 n TYR . 231 A 231 A 232 1 n GLY . 232 A 232 A 233 1 n GLU . 233 A 233 A 234 1 n GLN . 234 A 234 A 235 1 n SER . 235 A 235 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)" # loop_ _struct_asym.entity_id _struct_asym.id 1 A 2 B # 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 ? -7.123 -19.586 10.398 1.00 38.63 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.540 -18.366 10.969 1.00 40.47 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.022 -18.395 10.893 1.00 43.23 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.400 -19.429 11.141 1.00 40.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.975 -18.191 12.423 1.00 38.15 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.239 -17.085 13.167 1.00 34.75 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.731 -16.892 14.883 1.00 31.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.389 -16.214 14.693 1.00 29.33 1 A 1 ATOM 9 N N . ASN A 1 2 ? -4.433 -17.265 10.548 1.00 48.59 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -2.981 -17.119 10.581 1.00 49.04 2 A 1 ATOM 11 C C . ASN A 1 2 ? -2.555 -16.835 12.019 1.00 51.59 2 A 1 ATOM 12 O O . ASN A 1 2 ? -2.808 -15.752 12.545 1.00 47.52 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -2.543 -15.988 9.649 1.00 44.09 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -1.035 -15.925 9.481 1.00 38.99 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -0.277 -16.384 10.331 1.00 36.15 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -0.592 -15.345 8.369 1.00 34.73 2 A 1 ATOM 17 N N . THR A 1 3 ? -1.904 -17.810 12.646 1.00 47.57 3 A 1 ATOM 18 C CA . THR A 1 3 ? -1.566 -17.696 14.058 1.00 47.49 3 A 1 ATOM 19 C C . THR A 1 3 ? -0.459 -16.684 14.327 1.00 50.81 3 A 1 ATOM 20 O O . THR A 1 3 ? -0.262 -16.282 15.477 1.00 46.72 3 A 1 ATOM 21 C CB . THR A 1 3 ? -1.147 -19.063 14.628 1.00 41.55 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -0.049 -19.581 13.872 1.00 37.27 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -2.311 -20.043 14.563 1.00 35.91 3 A 1 ATOM 24 N N . GLN A 1 4 ? 0.262 -16.270 13.277 1.00 53.80 4 A 1 ATOM 25 C CA . GLN A 1 4 ? 1.339 -15.298 13.455 1.00 53.74 4 A 1 ATOM 26 C C . GLN A 1 4 ? 0.799 -13.901 13.745 1.00 60.30 4 A 1 ATOM 27 O O . GLN A 1 4 ? 1.444 -13.112 14.436 1.00 54.90 4 A 1 ATOM 28 C CB . GLN A 1 4 ? 2.235 -15.272 12.215 1.00 45.10 4 A 1 ATOM 29 C CG . GLN A 1 4 ? 2.994 -16.560 11.978 1.00 38.43 4 A 1 ATOM 30 C CD . GLN A 1 4 ? 3.910 -16.927 13.127 1.00 33.80 4 A 1 ATOM 31 O OE1 . GLN A 1 4 ? 3.715 -17.946 13.791 1.00 31.17 4 A 1 ATOM 32 N NE2 . GLN A 1 4 ? 4.910 -16.098 13.364 1.00 29.55 4 A 1 ATOM 33 N N . ARG A 1 5 ? -0.366 -13.578 13.211 1.00 67.72 5 A 1 ATOM 34 C CA . ARG A 1 5 ? -1.079 -12.319 13.438 1.00 70.81 5 A 1 ATOM 35 C C . ARG A 1 5 ? -0.366 -11.091 12.880 1.00 75.19 5 A 1 ATOM 36 O O . ARG A 1 5 ? -0.813 -9.963 13.098 1.00 72.56 5 A 1 ATOM 37 C CB . ARG A 1 5 ? -1.390 -12.120 14.926 1.00 63.87 5 A 1 ATOM 38 C CG . ARG A 1 5 ? -2.314 -13.168 15.511 1.00 57.12 5 A 1 ATOM 39 C CD . ARG A 1 5 ? -2.874 -12.729 16.845 1.00 53.58 5 A 1 ATOM 40 N NE . ARG A 1 5 ? -3.775 -11.593 16.721 1.00 50.30 5 A 1 ATOM 41 C CZ . ARG A 1 5 ? -5.068 -11.684 16.437 1.00 45.91 5 A 1 ATOM 42 N NH1 . ARG A 1 5 ? -5.628 -12.872 16.249 1.00 45.41 5 A 1 ATOM 43 N NH2 . ARG A 1 5 ? -5.808 -10.591 16.338 1.00 41.76 5 A 1 ATOM 44 N N . LYS A 1 6 ? 0.726 -11.276 12.153 1.00 76.64 6 A 1 ATOM 45 C CA . LYS A 1 6 ? 1.332 -10.162 11.441 1.00 79.00 6 A 1 ATOM 46 C C . LYS A 1 6 ? 0.585 -9.954 10.131 1.00 82.42 6 A 1 ATOM 47 O O . LYS A 1 6 ? -0.122 -10.846 9.661 1.00 78.80 6 A 1 ATOM 48 C CB . LYS A 1 6 ? 2.819 -10.418 11.182 1.00 72.47 6 A 1 ATOM 49 C CG . LYS A 1 6 ? 3.121 -11.665 10.374 1.00 66.08 6 A 1 ATOM 50 C CD . LYS A 1 6 ? 4.626 -11.903 10.288 1.00 62.16 6 A 1 ATOM 51 C CE . LYS A 1 6 ? 4.951 -13.177 9.543 1.00 56.46 6 A 1 ATOM 52 N NZ . LYS A 1 6 ? 6.422 -13.431 9.501 1.00 50.46 6 A 1 ATOM 53 N N . TYR A 1 7 ? 0.709 -8.765 9.552 1.00 80.04 7 A 1 ATOM 54 C CA . TYR A 1 7 ? 0.034 -8.504 8.288 1.00 82.67 7 A 1 ATOM 55 C C . TYR A 1 7 ? 0.626 -9.418 7.226 1.00 82.25 7 A 1 ATOM 56 O O . TYR A 1 7 ? 1.833 -9.393 6.974 1.00 76.99 7 A 1 ATOM 57 C CB . TYR A 1 7 ? 0.169 -7.042 7.878 1.00 82.96 7 A 1 ATOM 58 C CG . TYR A 1 7 ? -0.809 -6.644 6.793 1.00 85.68 7 A 1 ATOM 59 C CD1 . TYR A 1 7 ? -2.124 -6.328 7.103 1.00 84.59 7 A 1 ATOM 60 C CD2 . TYR A 1 7 ? -0.420 -6.595 5.463 1.00 83.29 7 A 1 ATOM 61 C CE1 . TYR A 1 7 ? -3.027 -5.971 6.119 1.00 81.23 7 A 1 ATOM 62 C CE2 . TYR A 1 7 ? -1.319 -6.241 4.467 1.00 82.33 7 A 1 ATOM 63 C CZ . TYR A 1 7 ? -2.619 -5.929 4.802 1.00 84.08 7 A 1 ATOM 64 O OH . TYR A 1 7 ? -3.516 -5.577 3.821 1.00 84.65 7 A 1 ATOM 65 N N . GLY A 1 8 ? -0.220 -10.232 6.609 1.00 80.99 8 A 1 ATOM 66 C CA . GLY A 1 8 ? 0.256 -11.221 5.663 1.00 78.89 8 A 1 ATOM 67 C C . GLY A 1 8 ? 0.809 -10.605 4.395 1.00 82.73 8 A 1 ATOM 68 O O . GLY A 1 8 ? 0.576 -9.432 4.090 1.00 78.98 8 A 1 ATOM 69 N N . ARG A 1 9 ? 1.559 -11.407 3.645 1.00 83.72 9 A 1 ATOM 70 C CA . ARG A 1 9 ? 2.067 -10.976 2.353 1.00 85.83 9 A 1 ATOM 71 C C . ARG A 1 9 ? 0.940 -11.069 1.335 1.00 89.30 9 A 1 ATOM 72 O O . ARG A 1 9 ? 0.416 -12.150 1.070 1.00 87.33 9 A 1 ATOM 73 C CB . ARG A 1 9 ? 3.253 -11.833 1.919 1.00 79.98 9 A 1 ATOM 74 C CG . ARG A 1 9 ? 4.501 -11.628 2.764 1.00 68.62 9 A 1 ATOM 75 C CD . ARG A 1 9 ? 5.622 -12.556 2.334 1.00 64.13 9 A 1 ATOM 76 N NE . ARG A 1 9 ? 6.841 -12.363 3.119 1.00 57.01 9 A 1 ATOM 77 C CZ . ARG A 1 9 ? 7.912 -13.146 3.055 1.00 50.87 9 A 1 ATOM 78 N NH1 . ARG A 1 9 ? 7.927 -14.187 2.241 1.00 46.75 9 A 1 ATOM 79 N NH2 . ARG A 1 9 ? 8.970 -12.885 3.803 1.00 42.80 9 A 1 ATOM 80 N N . THR A 1 10 ? 0.565 -9.930 0.777 1.00 90.52 10 A 1 ATOM 81 C CA . THR A 1 10 ? -0.503 -9.897 -0.203 1.00 92.60 10 A 1 ATOM 82 C C . THR A 1 10 ? -0.049 -10.563 -1.496 1.00 93.99 10 A 1 ATOM 83 O O . THR A 1 10 ? 1.055 -10.307 -1.979 1.00 92.98 10 A 1 ATOM 84 C CB . THR A 1 10 ? -0.932 -8.452 -0.479 1.00 91.67 10 A 1 ATOM 85 O OG1 . THR A 1 10 ? -1.324 -7.831 0.749 1.00 86.22 10 A 1 ATOM 86 C CG2 . THR A 1 10 ? -2.088 -8.413 -1.464 1.00 86.28 10 A 1 ATOM 87 N N . TRP A 1 11 ? -0.905 -11.421 -2.054 1.00 94.79 11 A 1 ATOM 88 C CA . TRP A 1 11 ? -0.587 -12.106 -3.298 1.00 95.35 11 A 1 ATOM 89 C C . TRP A 1 11 ? -0.756 -11.164 -4.487 1.00 96.19 11 A 1 ATOM 90 O O . TRP A 1 11 ? -1.646 -10.313 -4.506 1.00 95.39 11 A 1 ATOM 91 C CB . TRP A 1 11 ? -1.473 -13.340 -3.468 1.00 94.11 11 A 1 ATOM 92 C CG . TRP A 1 11 ? -1.143 -14.471 -2.539 1.00 92.20 11 A 1 ATOM 93 C CD1 . TRP A 1 11 ? -0.912 -14.402 -1.195 1.00 84.69 11 A 1 ATOM 94 C CD2 . TRP A 1 11 ? -1.011 -15.857 -2.887 1.00 87.00 11 A 1 ATOM 95 N NE1 . TRP A 1 11 ? -0.645 -15.648 -0.680 1.00 81.54 11 A 1 ATOM 96 C CE2 . TRP A 1 11 ? -0.708 -16.565 -1.701 1.00 85.24 11 A 1 ATOM 97 C CE3 . TRP A 1 11 ? -1.129 -16.571 -4.084 1.00 79.85 11 A 1 ATOM 98 C CZ2 . TRP A 1 11 ? -0.515 -17.948 -1.682 1.00 81.95 11 A 1 ATOM 99 C CZ3 . TRP A 1 11 ? -0.938 -17.948 -4.059 1.00 75.79 11 A 1 ATOM 100 C CH2 . TRP A 1 11 ? -0.636 -18.620 -2.871 1.00 76.89 11 A 1 ATOM 101 N N . HIS A 1 12 ? 0.105 -11.342 -5.487 1.00 96.04 12 A 1 ATOM 102 C CA . HIS A 1 12 ? 0.065 -10.532 -6.697 1.00 96.50 12 A 1 ATOM 103 C C . HIS A 1 12 ? -1.013 -11.015 -7.657 1.00 97.10 12 A 1 ATOM 104 O O . HIS A 1 12 ? -1.267 -12.220 -7.773 1.00 96.97 12 A 1 ATOM 105 C CB . HIS A 1 12 ? 1.404 -10.579 -7.427 1.00 95.76 12 A 1 ATOM 106 C CG . HIS A 1 12 ? 2.493 -9.783 -6.783 1.00 94.98 12 A 1 ATOM 107 N ND1 . HIS A 1 12 ? 2.904 -8.562 -7.267 1.00 90.72 12 A 1 ATOM 108 C CD2 . HIS A 1 12 ? 3.276 -10.048 -5.716 1.00 91.04 12 A 1 ATOM 109 C CE1 . HIS A 1 12 ? 3.892 -8.104 -6.521 1.00 91.07 12 A 1 ATOM 110 N NE2 . HIS A 1 12 ? 4.138 -8.987 -5.566 1.00 91.71 12 A 1 ATOM 111 N N . TYR A 1 13 ? -1.631 -10.074 -8.367 1.00 97.45 13 A 1 ATOM 112 C CA . TYR A 1 13 ? -2.340 -10.421 -9.586 1.00 97.56 13 A 1 ATOM 113 C C . TYR A 1 13 ? -1.354 -11.108 -10.536 1.00 97.26 13 A 1 ATOM 114 O O . TYR A 1 13 ? -0.157 -10.802 -10.515 1.00 96.86 13 A 1 ATOM 115 C CB . TYR A 1 13 ? -2.891 -9.171 -10.267 1.00 97.78 13 A 1 ATOM 116 C CG . TYR A 1 13 ? -4.078 -8.518 -9.593 1.00 98.28 13 A 1 ATOM 117 C CD1 . TYR A 1 13 ? -5.316 -9.140 -9.554 1.00 98.06 13 A 1 ATOM 118 C CD2 . TYR A 1 13 ? -3.965 -7.249 -9.037 1.00 98.09 13 A 1 ATOM 119 C CE1 . TYR A 1 13 ? -6.415 -8.522 -8.968 1.00 98.13 13 A 1 ATOM 120 C CE2 . TYR A 1 13 ? -5.058 -6.622 -8.451 1.00 98.13 13 A 1 ATOM 121 C CZ . TYR A 1 13 ? -6.277 -7.265 -8.419 1.00 98.43 13 A 1 ATOM 122 O OH . TYR A 1 13 ? -7.359 -6.642 -7.845 1.00 98.29 13 A 1 ATOM 123 N N . PRO A 1 14 ? -1.816 -12.019 -11.386 1.00 97.14 14 A 1 ATOM 124 C CA . PRO A 1 14 ? -0.885 -12.691 -12.309 1.00 96.64 14 A 1 ATOM 125 C C . PRO A 1 14 ? -0.272 -11.751 -13.339 1.00 96.45 14 A 1 ATOM 126 O O . PRO A 1 14 ? 0.749 -12.091 -13.945 1.00 95.53 14 A 1 ATOM 127 C CB . PRO A 1 14 ? -1.766 -13.757 -12.980 1.00 96.01 14 A 1 ATOM 128 C CG . PRO A 1 14 ? -3.162 -13.259 -12.813 1.00 94.75 14 A 1 ATOM 129 C CD . PRO A 1 14 ? -3.190 -12.536 -11.504 1.00 96.81 14 A 1 ATOM 130 N N . PHE A 1 15 ? -0.869 -10.586 -13.544 1.00 96.95 15 A 1 ATOM 131 C CA . PHE A 1 15 ? -0.355 -9.600 -14.488 1.00 96.73 15 A 1 ATOM 132 C C . PHE A 1 15 ? 0.449 -8.497 -13.794 1.00 96.61 15 A 1 ATOM 133 O O . PHE A 1 15 ? 0.759 -7.478 -14.418 1.00 96.00 15 A 1 ATOM 134 C CB . PHE A 1 15 ? -1.503 -8.994 -15.301 1.00 96.74 15 A 1 ATOM 135 C CG . PHE A 1 15 ? -2.710 -8.643 -14.472 1.00 97.33 15 A 1 ATOM 136 C CD1 . PHE A 1 15 ? -2.787 -7.430 -13.809 1.00 96.96 15 A 1 ATOM 137 C CD2 . PHE A 1 15 ? -3.764 -9.534 -14.356 1.00 96.89 15 A 1 ATOM 138 C CE1 . PHE A 1 15 ? -3.891 -7.108 -13.042 1.00 96.44 15 A 1 ATOM 139 C CE2 . PHE A 1 15 ? -4.879 -9.219 -13.591 1.00 96.60 15 A 1 ATOM 140 C CZ . PHE A 1 15 ? -4.940 -8.002 -12.934 1.00 96.87 15 A 1 ATOM 141 N N . SER A 1 16 ? 0.791 -8.691 -12.529 1.00 96.63 16 A 1 ATOM 142 C CA . SER A 1 16 ? 1.634 -7.748 -11.803 1.00 96.26 16 A 1 ATOM 143 C C . SER A 1 16 ? 3.088 -7.932 -12.239 1.00 95.81 16 A 1 ATOM 144 O O . SER A 1 16 ? 3.640 -9.022 -12.087 1.00 94.57 16 A 1 ATOM 145 C CB . SER A 1 16 ? 1.507 -7.965 -10.293 1.00 95.77 16 A 1 ATOM 146 O OG . SER A 1 16 ? 2.413 -7.142 -9.574 1.00 94.91 16 A 1 ATOM 147 N N . PRO A 1 17 ? 3.731 -6.879 -12.771 1.00 95.32 17 A 1 ATOM 148 C CA . PRO A 1 17 ? 5.086 -7.039 -13.313 1.00 93.97 17 A 1 ATOM 149 C C . PRO A 1 17 ? 6.199 -6.908 -12.284 1.00 92.54 17 A 1 ATOM 150 O O . PRO A 1 17 ? 7.336 -7.294 -12.572 1.00 86.64 17 A 1 ATOM 151 C CB . PRO A 1 17 ? 5.177 -5.905 -14.341 1.00 92.69 17 A 1 ATOM 152 C CG . PRO A 1 17 ? 4.317 -4.833 -13.751 1.00 92.43 17 A 1 ATOM 153 C CD . PRO A 1 17 ? 3.179 -5.541 -13.049 1.00 94.85 17 A 1 ATOM 154 N N . GLY A 1 18 ? 5.910 -6.376 -11.102 1.00 91.47 18 A 1 ATOM 155 C CA . GLY A 1 18 ? 6.940 -6.098 -10.113 1.00 89.17 18 A 1 ATOM 156 C C . GLY A 1 18 ? 7.101 -7.171 -9.059 1.00 88.23 18 A 1 ATOM 157 O O . GLY A 1 18 ? 7.156 -6.868 -7.865 1.00 83.75 18 A 1 ATOM 158 N N . THR A 1 19 ? 7.191 -8.429 -9.497 1.00 88.09 19 A 1 ATOM 159 C CA . THR A 1 19 ? 7.319 -9.541 -8.566 1.00 86.20 19 A 1 ATOM 160 C C . THR A 1 19 ? 8.783 -9.867 -8.299 1.00 84.45 19 A 1 ATOM 161 O O . THR A 1 19 ? 9.662 -9.623 -9.133 1.00 79.65 19 A 1 ATOM 162 C CB . THR A 1 19 ? 6.619 -10.799 -9.097 1.00 83.92 19 A 1 ATOM 163 O OG1 . THR A 1 19 ? 7.163 -11.147 -10.376 1.00 78.98 19 A 1 ATOM 164 C CG2 . THR A 1 19 ? 5.124 -10.555 -9.231 1.00 78.42 19 A 1 ATOM 165 N N . THR A 1 20 ? 9.043 -10.421 -7.109 1.00 83.23 20 A 1 ATOM 166 C CA . THR A 1 20 ? 10.364 -10.903 -6.732 1.00 80.27 20 A 1 ATOM 167 C C . THR A 1 20 ? 10.289 -12.402 -6.476 1.00 81.27 20 A 1 ATOM 168 O O . THR A 1 20 ? 9.218 -13.005 -6.538 1.00 76.69 20 A 1 ATOM 169 C CB . THR A 1 20 ? 10.887 -10.193 -5.473 1.00 74.69 20 A 1 ATOM 170 O OG1 . THR A 1 20 ? 10.107 -10.591 -4.340 1.00 68.34 20 A 1 ATOM 171 C CG2 . THR A 1 20 ? 10.816 -8.680 -5.638 1.00 68.07 20 A 1 ATOM 172 N N . SER A 1 21 ? 11.446 -13.011 -6.176 1.00 79.42 21 A 1 ATOM 173 C CA . SER A 1 21 ? 11.485 -14.445 -5.907 1.00 79.05 21 A 1 ATOM 174 C C . SER A 1 21 ? 10.700 -14.808 -4.650 1.00 80.63 21 A 1 ATOM 175 O O . SER A 1 21 ? 10.314 -15.964 -4.474 1.00 76.95 21 A 1 ATOM 176 C CB . SER A 1 21 ? 12.933 -14.917 -5.768 1.00 75.40 21 A 1 ATOM 177 O OG . SER A 1 21 ? 13.590 -14.240 -4.714 1.00 68.45 21 A 1 ATOM 178 N N . ASP A 1 22 ? 10.461 -13.831 -3.793 1.00 81.19 22 A 1 ATOM 179 C CA . ASP A 1 22 ? 9.762 -14.056 -2.532 1.00 81.41 22 A 1 ATOM 180 C C . ASP A 1 22 ? 8.250 -13.917 -2.671 1.00 84.29 22 A 1 ATOM 181 O O . ASP A 1 22 ? 7.508 -14.256 -1.744 1.00 80.63 22 A 1 ATOM 182 C CB . ASP A 1 22 ? 10.272 -13.079 -1.467 1.00 76.13 22 A 1 ATOM 183 C CG . ASP A 1 22 ? 10.613 -13.761 -0.158 1.00 67.25 22 A 1 ATOM 184 O OD1 . ASP A 1 22 ? 10.910 -14.971 -0.185 1.00 60.92 22 A 1 ATOM 185 O OD2 . ASP A 1 22 ? 10.597 -13.086 0.891 1.00 60.71 22 A 1 ATOM 186 N N . ASP A 1 23 ? 7.786 -13.427 -3.812 1.00 86.33 23 A 1 ATOM 187 C CA . ASP A 1 23 ? 6.376 -13.112 -3.995 1.00 87.40 23 A 1 ATOM 188 C C . ASP A 1 23 ? 5.578 -14.312 -4.483 1.00 89.36 23 A 1 ATOM 189 O O . ASP A 1 23 ? 6.090 -15.190 -5.180 1.00 88.35 23 A 1 ATOM 190 C CB . ASP A 1 23 ? 6.215 -11.947 -4.975 1.00 84.68 23 A 1 ATOM 191 C CG . ASP A 1 23 ? 6.688 -10.632 -4.387 1.00 81.94 23 A 1 ATOM 192 O OD1 . ASP A 1 23 ? 6.393 -10.375 -3.202 1.00 78.73 23 A 1 ATOM 193 O OD2 . ASP A 1 23 ? 7.347 -9.857 -5.108 1.00 78.98 23 A 1 ATOM 194 N N . ARG A 1 24 ? 4.298 -14.325 -4.123 1.00 91.37 24 A 1 ATOM 195 C CA . ARG A 1 24 ? 3.369 -15.348 -4.575 1.00 92.32 24 A 1 ATOM 196 C C . ARG A 1 24 ? 2.357 -14.727 -5.529 1.00 94.55 24 A 1 ATOM 197 O O . ARG A 1 24 ? 1.967 -13.568 -5.379 1.00 93.59 24 A 1 ATOM 198 C CB . ARG A 1 24 ? 2.653 -16.004 -3.392 1.00 88.81 24 A 1 ATOM 199 C CG . ARG A 1 24 ? 3.512 -17.009 -2.638 1.00 80.04 24 A 1 ATOM 200 C CD . ARG A 1 24 ? 2.765 -17.614 -1.458 1.00 72.23 24 A 1 ATOM 201 N NE . ARG A 1 24 ? 3.303 -18.914 -1.068 1.00 64.87 24 A 1 ATOM 202 C CZ . ARG A 1 24 ? 2.860 -19.639 -0.043 1.00 57.88 24 A 1 ATOM 203 N NH1 . ARG A 1 24 ? 1.873 -19.189 0.717 1.00 52.44 24 A 1 ATOM 204 N NH2 . ARG A 1 24 ? 3.407 -20.813 0.226 1.00 49.93 24 A 1 ATOM 205 N N . ILE A 1 25 ? 1.938 -15.513 -6.504 1.00 94.00 25 A 1 ATOM 206 C CA . ILE A 1 25 ? 1.006 -15.060 -7.527 1.00 94.76 25 A 1 ATOM 207 C C . ILE A 1 25 ? -0.310 -15.805 -7.359 1.00 95.33 25 A 1 ATOM 208 O O . ILE A 1 25 ? -0.328 -17.038 -7.303 1.00 94.86 25 A 1 ATOM 209 C CB . ILE A 1 25 ? 1.572 -15.282 -8.943 1.00 94.01 25 A 1 ATOM 210 C CG1 . ILE A 1 25 ? 2.886 -14.511 -9.108 1.00 92.04 25 A 1 ATOM 211 C CG2 . ILE A 1 25 ? 0.558 -14.868 -10.000 1.00 92.19 25 A 1 ATOM 212 C CD1 . ILE A 1 25 ? 3.612 -14.804 -10.404 1.00 84.39 25 A 1 ATOM 213 N N . ASN A 1 26 ? -1.401 -15.056 -7.274 1.00 96.32 26 A 1 ATOM 214 C CA . ASN A 1 26 ? -2.729 -15.649 -7.160 1.00 96.80 26 A 1 ATOM 215 C C . ASN A 1 26 ? -3.264 -15.934 -8.560 1.00 97.04 26 A 1 ATOM 216 O O . ASN A 1 26 ? -3.873 -15.071 -9.197 1.00 96.83 26 A 1 ATOM 217 C CB . ASN A 1 26 ? -3.677 -14.726 -6.391 1.00 96.37 26 A 1 ATOM 218 C CG . ASN A 1 26 ? -5.035 -15.362 -6.141 1.00 96.23 26 A 1 ATOM 219 O OD1 . ASN A 1 26 ? -5.362 -16.406 -6.703 1.00 93.30 26 A 1 ATOM 220 N ND2 . ASN A 1 26 ? -5.838 -14.729 -5.290 1.00 91.86 26 A 1 ATOM 221 N N . THR A 1 27 ? -3.026 -17.157 -9.033 1.00 96.57 27 A 1 ATOM 222 C CA . THR A 1 27 ? -3.477 -17.534 -10.366 1.00 96.08 27 A 1 ATOM 223 C C . THR A 1 27 ? -4.982 -17.745 -10.425 1.00 96.71 27 A 1 ATOM 224 O O . THR A 1 27 ? -5.549 -17.799 -11.521 1.00 95.81 27 A 1 ATOM 225 C CB . THR A 1 27 ? -2.764 -18.806 -10.835 1.00 94.49 27 A 1 ATOM 226 O OG1 . THR A 1 27 ? -3.001 -19.862 -9.896 1.00 86.68 27 A 1 ATOM 227 C CG2 . THR A 1 27 ? -1.265 -18.562 -10.947 1.00 85.14 27 A 1 ATOM 228 N N . ASP A 1 28 ? -5.634 -17.854 -9.272 1.00 97.04 28 A 1 ATOM 229 C CA . ASP A 1 28 ? -7.078 -18.060 -9.199 1.00 97.01 28 A 1 ATOM 230 C C . ASP A 1 28 ? -7.809 -16.766 -8.850 1.00 97.74 28 A 1 ATOM 231 O O . ASP A 1 28 ? -8.939 -16.798 -8.353 1.00 97.08 28 A 1 ATOM 232 C CB . ASP A 1 28 ? -7.408 -19.148 -8.171 1.00 95.39 28 A 1 ATOM 233 C CG . ASP A 1 28 ? -8.733 -19.833 -8.447 1.00 88.70 28 A 1 ATOM 234 O OD1 . ASP A 1 28 ? -9.113 -19.945 -9.632 1.00 84.19 28 A 1 ATOM 235 O OD2 . ASP A 1 28 ? -9.394 -20.273 -7.481 1.00 82.29 28 A 1 ATOM 236 N N . TYR A 1 29 ? -7.173 -15.636 -9.119 1.00 98.21 29 A 1 ATOM 237 C CA . TYR A 1 29 ? -7.703 -14.337 -8.707 1.00 98.41 29 A 1 ATOM 238 C C . TYR A 1 29 ? -9.093 -14.072 -9.292 1.00 98.58 29 A 1 ATOM 239 O O . TYR A 1 29 ? -9.927 -13.445 -8.639 1.00 98.52 29 A 1 ATOM 240 C CB . TYR A 1 29 ? -6.738 -13.214 -9.118 1.00 98.31 29 A 1 ATOM 241 C CG . TYR A 1 29 ? -6.951 -12.729 -10.533 1.00 98.41 29 A 1 ATOM 242 C CD1 . TYR A 1 29 ? -7.671 -11.565 -10.786 1.00 98.24 29 A 1 ATOM 243 C CD2 . TYR A 1 29 ? -6.456 -13.439 -11.620 1.00 98.21 29 A 1 ATOM 244 C CE1 . TYR A 1 29 ? -7.888 -11.123 -12.080 1.00 97.94 29 A 1 ATOM 245 C CE2 . TYR A 1 29 ? -6.671 -13.006 -12.916 1.00 97.89 29 A 1 ATOM 246 C CZ . TYR A 1 29 ? -7.387 -11.848 -13.142 1.00 97.98 29 A 1 ATOM 247 O OH . TYR A 1 29 ? -7.604 -11.407 -14.425 1.00 97.34 29 A 1 ATOM 248 N N . TRP A 1 30 ? -9.338 -14.533 -10.512 1.00 98.37 30 A 1 ATOM 249 C CA . TRP A 1 30 ? -10.604 -14.223 -11.166 1.00 98.44 30 A 1 ATOM 250 C C . TRP A 1 30 ? -11.767 -14.891 -10.448 1.00 98.46 30 A 1 ATOM 251 O O . TRP A 1 30 ? -12.821 -14.272 -10.256 1.00 98.19 30 A 1 ATOM 252 C CB . TRP A 1 30 ? -10.569 -14.635 -12.641 1.00 98.19 30 A 1 ATOM 253 C CG . TRP A 1 30 ? -11.770 -14.179 -13.420 1.00 98.17 30 A 1 ATOM 254 C CD1 . TRP A 1 30 ? -12.690 -14.968 -14.054 1.00 97.51 30 A 1 ATOM 255 C CD2 . TRP A 1 30 ? -12.192 -12.827 -13.636 1.00 98.01 30 A 1 ATOM 256 N NE1 . TRP A 1 30 ? -13.643 -14.193 -14.659 1.00 97.08 30 A 1 ATOM 257 C CE2 . TRP A 1 30 ? -13.365 -12.875 -14.420 1.00 97.62 30 A 1 ATOM 258 C CE3 . TRP A 1 30 ? -11.691 -11.578 -13.255 1.00 97.33 30 A 1 ATOM 259 C CZ2 . TRP A 1 30 ? -14.042 -11.723 -14.820 1.00 96.96 30 A 1 ATOM 260 C CZ3 . TRP A 1 30 ? -12.372 -10.434 -13.654 1.00 96.72 30 A 1 ATOM 261 C CH2 . TRP A 1 30 ? -13.533 -10.517 -14.428 1.00 96.71 30 A 1 ATOM 262 N N . GLN A 1 31 ? -11.572 -16.141 -10.036 1.00 98.30 31 A 1 ATOM 263 C CA . GLN A 1 31 ? -12.592 -16.820 -9.246 1.00 98.09 31 A 1 ATOM 264 C C . GLN A 1 31 ? -12.812 -16.104 -7.919 1.00 98.23 31 A 1 ATOM 265 O O . GLN A 1 31 ? -13.946 -15.997 -7.443 1.00 97.78 31 A 1 ATOM 266 C CB . GLN A 1 31 ? -12.199 -18.276 -9.008 1.00 97.36 31 A 1 ATOM 267 C CG . GLN A 1 31 ? -12.361 -19.169 -10.219 1.00 85.16 31 A 1 ATOM 268 C CD . GLN A 1 31 ? -13.815 -19.370 -10.600 1.00 79.20 31 A 1 ATOM 269 O OE1 . GLN A 1 31 ? -14.369 -18.629 -11.412 1.00 71.94 31 A 1 ATOM 270 N NE2 . GLN A 1 31 ? -14.440 -20.376 -10.009 1.00 69.00 31 A 1 ATOM 271 N N . ASP A 1 32 ? -11.732 -15.615 -7.322 1.00 98.45 32 A 1 ATOM 272 C CA . ASP A 1 32 ? -11.853 -14.863 -6.076 1.00 98.47 32 A 1 ATOM 273 C C . ASP A 1 32 ? -12.653 -13.581 -6.289 1.00 98.54 32 A 1 ATOM 274 O O . ASP A 1 32 ? -13.522 -13.240 -5.480 1.00 98.34 32 A 1 ATOM 275 C CB . ASP A 1 32 ? -10.469 -14.538 -5.508 1.00 98.29 32 A 1 ATOM 276 C CG . ASP A 1 32 ? -9.753 -15.769 -4.971 1.00 97.83 32 A 1 ATOM 277 O OD1 . ASP A 1 32 ? -10.433 -16.751 -4.603 1.00 96.33 32 A 1 ATOM 278 O OD2 . ASP A 1 32 ? -8.508 -15.747 -4.904 1.00 96.00 32 A 1 ATOM 279 N N . LEU A 1 33 ? -12.370 -12.865 -7.365 1.00 98.50 33 A 1 ATOM 280 C CA . LEU A 1 33 ? -13.095 -11.630 -7.651 1.00 98.47 33 A 1 ATOM 281 C C . LEU A 1 33 ? -14.580 -11.889 -7.862 1.00 98.38 33 A 1 ATOM 282 O O . LEU A 1 33 ? -15.421 -11.089 -7.441 1.00 97.98 33 A 1 ATOM 283 C CB . LEU A 1 33 ? -12.512 -10.930 -8.880 1.00 98.27 33 A 1 ATOM 284 C CG . LEU A 1 33 ? -11.111 -10.327 -8.758 1.00 97.16 33 A 1 ATOM 285 C CD1 . LEU A 1 33 ? -10.774 -9.546 -10.018 1.00 96.26 33 A 1 ATOM 286 C CD2 . LEU A 1 33 ? -11.002 -9.437 -7.532 1.00 95.76 33 A 1 ATOM 287 N N . LYS A 1 34 ? -14.908 -13.005 -8.511 1.00 97.85 34 A 1 ATOM 288 C CA . LYS A 1 34 ? -16.309 -13.321 -8.792 1.00 97.02 34 A 1 ATOM 289 C C . LYS A 1 34 ? -17.113 -13.530 -7.513 1.00 97.02 34 A 1 ATOM 290 O O . LYS A 1 34 ? -18.337 -13.388 -7.522 1.00 95.90 34 A 1 ATOM 291 C CB . LYS A 1 34 ? -16.402 -14.563 -9.681 1.00 95.74 34 A 1 ATOM 292 C CG . LYS A 1 34 ? -15.790 -14.384 -11.062 1.00 90.77 34 A 1 ATOM 293 C CD . LYS A 1 34 ? -16.713 -13.630 -12.000 1.00 83.56 34 A 1 ATOM 294 C CE . LYS A 1 34 ? -17.864 -14.509 -12.443 1.00 78.79 34 A 1 ATOM 295 N NZ . LYS A 1 34 ? -18.522 -14.016 -13.677 1.00 70.12 34 A 1 ATOM 296 N N . ALA A 1 35 ? -16.434 -13.860 -6.418 1.00 97.95 35 A 1 ATOM 297 C CA . ALA A 1 35 ? -17.099 -14.058 -5.137 1.00 97.82 35 A 1 ATOM 298 C C . ALA A 1 35 ? -17.216 -12.764 -4.339 1.00 98.00 35 A 1 ATOM 299 O O . ALA A 1 35 ? -17.799 -12.760 -3.254 1.00 97.20 35 A 1 ATOM 300 C CB . ALA A 1 35 ? -16.360 -15.113 -4.311 1.00 97.21 35 A 1 ATOM 301 N N . ILE A 1 36 ? -16.669 -11.678 -4.868 1.00 98.41 36 A 1 ATOM 302 C CA . ILE A 1 36 ? -16.673 -10.388 -4.187 1.00 98.51 36 A 1 ATOM 303 C C . ILE A 1 36 ? -17.701 -9.476 -4.846 1.00 98.43 36 A 1 ATOM 304 O O . ILE A 1 36 ? -17.716 -9.322 -6.068 1.00 98.09 36 A 1 ATOM 305 C CB . ILE A 1 36 ? -15.273 -9.745 -4.218 1.00 98.53 36 A 1 ATOM 306 C CG1 . ILE A 1 36 ? -14.302 -10.581 -3.378 1.00 98.22 36 A 1 ATOM 307 C CG2 . ILE A 1 36 ? -15.322 -8.300 -3.732 1.00 98.22 36 A 1 ATOM 308 C CD1 . ILE A 1 36 ? -12.851 -10.138 -3.479 1.00 97.89 36 A 1 ATOM 309 N N . THR A 1 37 ? -18.552 -8.866 -4.029 1.00 98.35 37 A 1 ATOM 310 C CA . THR A 1 37 ? -19.597 -7.998 -4.558 1.00 98.16 37 A 1 ATOM 311 C C . THR A 1 37 ? -19.037 -6.651 -5.000 1.00 98.26 37 A 1 ATOM 312 O O . THR A 1 37 ? -19.373 -6.149 -6.074 1.00 97.35 37 A 1 ATOM 313 C CB . THR A 1 37 ? -20.704 -7.783 -3.514 1.00 97.34 37 A 1 ATOM 314 O OG1 . THR A 1 37 ? -21.275 -9.043 -3.154 1.00 90.35 37 A 1 ATOM 315 C CG2 . THR A 1 37 ? -21.797 -6.877 -4.065 1.00 88.30 37 A 1 ATOM 316 N N . GLN A 1 38 ? -18.183 -6.065 -4.168 1.00 98.58 38 A 1 ATOM 317 C CA . GLN A 1 38 ? -17.641 -4.740 -4.439 1.00 98.65 38 A 1 ATOM 318 C C . GLN A 1 38 ? -16.178 -4.681 -4.038 1.00 98.78 38 A 1 ATOM 319 O O . GLN A 1 38 ? -15.811 -5.094 -2.938 1.00 98.63 38 A 1 ATOM 320 C CB . GLN A 1 38 ? -18.438 -3.664 -3.693 1.00 98.27 38 A 1 ATOM 321 C CG . GLN A 1 38 ? -17.979 -2.239 -3.970 1.00 95.81 38 A 1 ATOM 322 C CD . GLN A 1 38 ? -18.791 -1.201 -3.214 1.00 94.60 38 A 1 ATOM 323 O OE1 . GLN A 1 38 ? -19.755 -1.531 -2.520 1.00 88.00 38 A 1 ATOM 324 N NE2 . GLN A 1 38 ? -18.402 0.061 -3.343 1.00 85.54 38 A 1 ATOM 325 N N . LEU A 1 39 ? -15.346 -4.155 -4.930 1.00 98.74 39 A 1 ATOM 326 C CA . LEU A 1 39 ? -13.924 -3.978 -4.669 1.00 98.73 39 A 1 ATOM 327 C C . LEU A 1 39 ? -13.616 -2.542 -4.275 1.00 98.81 39 A 1 ATOM 328 O O . LEU A 1 39 ? -14.297 -1.603 -4.696 1.00 98.57 39 A 1 ATOM 329 C CB . LEU A 1 39 ? -13.095 -4.335 -5.907 1.00 98.19 39 A 1 ATOM 330 C CG . LEU A 1 39 ? -12.927 -5.808 -6.275 1.00 96.23 39 A 1 ATOM 331 C CD1 . LEU A 1 39 ? -12.269 -5.917 -7.644 1.00 96.47 39 A 1 ATOM 332 C CD2 . LEU A 1 39 ? -12.104 -6.531 -5.223 1.00 96.43 39 A 1 ATOM 333 N N . VAL A 1 40 ? -12.574 -2.387 -3.469 1.00 98.83 40 A 1 ATOM 334 C CA . VAL A 1 40 ? -11.973 -1.090 -3.205 1.00 98.81 40 A 1 ATOM 335 C C . VAL A 1 40 ? -10.538 -1.154 -3.702 1.00 98.86 40 A 1 ATOM 336 O O . VAL A 1 40 ? -9.764 -2.009 -3.270 1.00 98.66 40 A 1 ATOM 337 C CB . VAL A 1 40 ? -12.000 -0.726 -1.708 1.00 98.16 40 A 1 ATOM 338 C CG1 . VAL A 1 40 ? -11.311 0.613 -1.477 1.00 92.65 40 A 1 ATOM 339 C CG2 . VAL A 1 40 ? -13.429 -0.690 -1.197 1.00 92.77 40 A 1 ATOM 340 N N . HIS A 1 41 ? -10.193 -0.269 -4.625 1.00 98.89 41 A 1 ATOM 341 C CA . HIS A 1 41 ? -8.822 -0.147 -5.099 1.00 98.90 41 A 1 ATOM 342 C C . HIS A 1 41 ? -8.172 1.040 -4.402 1.00 98.89 41 A 1 ATOM 343 O O . HIS A 1 41 ? -8.764 2.116 -4.309 1.00 98.77 41 A 1 ATOM 344 C CB . HIS A 1 41 ? -8.775 0.055 -6.617 1.00 98.86 41 A 1 ATOM 345 C CG . HIS A 1 41 ? -9.537 -0.969 -7.399 1.00 98.85 41 A 1 ATOM 346 N ND1 . HIS A 1 41 ? -9.044 -2.229 -7.659 1.00 95.78 41 A 1 ATOM 347 C CD2 . HIS A 1 41 ? -10.751 -0.916 -7.995 1.00 95.86 41 A 1 ATOM 348 C CE1 . HIS A 1 41 ? -9.920 -2.911 -8.375 1.00 96.78 41 A 1 ATOM 349 N NE2 . HIS A 1 41 ? -10.967 -2.135 -8.595 1.00 97.39 41 A 1 ATOM 350 N N . THR A 1 42 ? -6.951 0.835 -3.904 1.00 98.84 42 A 1 ATOM 351 C CA . THR A 1 42 ? -6.228 1.904 -3.228 1.00 98.84 42 A 1 ATOM 352 C C . THR A 1 42 ? -4.794 1.967 -3.731 1.00 98.80 42 A 1 ATOM 353 O O . THR A 1 42 ? -4.243 0.980 -4.222 1.00 98.61 42 A 1 ATOM 354 C CB . THR A 1 42 ? -6.215 1.716 -1.697 1.00 98.79 42 A 1 ATOM 355 O OG1 . THR A 1 42 ? -5.635 0.448 -1.366 1.00 98.34 42 A 1 ATOM 356 C CG2 . THR A 1 42 ? -7.626 1.795 -1.130 1.00 98.19 42 A 1 ATOM 357 N N . GLU A 1 43 ? -4.200 3.137 -3.608 1.00 98.74 43 A 1 ATOM 358 C CA . GLU A 1 43 ? -2.804 3.309 -3.994 1.00 98.69 43 A 1 ATOM 359 C C . GLU A 1 43 ? -1.899 2.607 -2.991 1.00 98.58 43 A 1 ATOM 360 O O . GLU A 1 43 ? -2.039 2.784 -1.777 1.00 98.16 43 A 1 ATOM 361 C CB . GLU A 1 43 ? -2.443 4.796 -4.088 1.00 98.56 43 A 1 ATOM 362 C CG . GLU A 1 43 ? -0.984 5.042 -4.485 1.00 98.06 43 A 1 ATOM 363 C CD . GLU A 1 43 ? -0.689 6.503 -4.792 1.00 98.09 43 A 1 ATOM 364 O OE1 . GLU A 1 43 ? -1.644 7.302 -4.889 1.00 96.73 43 A 1 ATOM 365 O OE2 . GLU A 1 43 ? 0.503 6.848 -4.949 1.00 96.82 43 A 1 ATOM 366 N N . LYS A 1 44 ? -0.974 1.795 -3.508 1.00 98.15 44 A 1 ATOM 367 C CA . LYS A 1 44 ? 0.018 1.138 -2.665 1.00 97.56 44 A 1 ATOM 368 C C . LYS A 1 44 ? 1.147 2.130 -2.412 1.00 97.41 44 A 1 ATOM 369 O O . LYS A 1 44 ? 1.908 2.456 -3.322 1.00 96.62 44 A 1 ATOM 370 C CB . LYS A 1 44 ? 0.540 -0.135 -3.337 1.00 96.62 44 A 1 ATOM 371 C CG . LYS A 1 44 ? 1.441 -0.975 -2.449 1.00 94.33 44 A 1 ATOM 372 C CD . LYS A 1 44 ? 1.895 -2.246 -3.162 1.00 91.46 44 A 1 ATOM 373 C CE . LYS A 1 44 ? 2.741 -3.118 -2.238 1.00 89.28 44 A 1 ATOM 374 N NZ . LYS A 1 44 ? 3.967 -2.424 -1.756 1.00 84.92 44 A 1 ATOM 375 N N . LEU A 1 45 ? 1.236 2.612 -1.183 1.00 97.86 45 A 1 ATOM 376 C CA . LEU A 1 45 ? 2.224 3.627 -0.834 1.00 97.81 45 A 1 ATOM 377 C C . LEU A 1 45 ? 3.536 2.980 -0.399 1.00 97.28 45 A 1 ATOM 378 O O . LEU A 1 45 ? 3.548 1.896 0.189 1.00 96.61 45 A 1 ATOM 379 C CB . LEU A 1 45 ? 1.679 4.535 0.272 1.00 98.04 45 A 1 ATOM 380 C CG . LEU A 1 45 ? 0.413 5.322 -0.090 1.00 98.05 45 A 1 ATOM 381 C CD1 . LEU A 1 45 ? -0.106 6.096 1.115 1.00 97.99 45 A 1 ATOM 382 C CD2 . LEU A 1 45 ? 0.680 6.263 -1.260 1.00 97.90 45 A 1 ATOM 383 N N . ASP A 1 46 ? 4.641 3.648 -0.692 1.00 97.06 46 A 1 ATOM 384 C CA . ASP A 1 46 ? 5.972 3.113 -0.424 1.00 96.66 46 A 1 ATOM 385 C C . ASP A 1 46 ? 6.489 3.619 0.916 1.00 96.88 46 A 1 ATOM 386 O O . ASP A 1 46 ? 7.175 4.639 0.991 1.00 96.38 46 A 1 ATOM 387 C CB . ASP A 1 46 ? 6.938 3.493 -1.549 1.00 95.78 46 A 1 ATOM 388 C CG . ASP A 1 46 ? 8.321 2.904 -1.351 1.00 95.14 46 A 1 ATOM 389 O OD1 . ASP A 1 46 ? 8.422 1.787 -0.799 1.00 93.82 46 A 1 ATOM 390 O OD2 . ASP A 1 46 ? 9.308 3.556 -1.755 1.00 92.79 46 A 1 ATOM 391 N N . GLY A 1 47 ? 6.168 2.901 1.976 1.00 96.85 47 A 1 ATOM 392 C CA . GLY A 1 47 ? 6.630 3.239 3.308 1.00 96.30 47 A 1 ATOM 393 C C . GLY A 1 47 ? 6.920 1.985 4.101 1.00 95.68 47 A 1 ATOM 394 O O . GLY A 1 47 ? 7.420 0.996 3.560 1.00 94.32 47 A 1 ATOM 395 N N . GLU A 1 48 ? 6.620 2.021 5.385 1.00 95.97 48 A 1 ATOM 396 C CA . GLU A 1 48 ? 6.763 0.853 6.246 1.00 96.12 48 A 1 ATOM 397 C C . GLU A 1 48 ? 5.392 0.450 6.770 1.00 96.62 48 A 1 ATOM 398 O O . GLU A 1 48 ? 4.646 1.280 7.287 1.00 96.62 48 A 1 ATOM 399 C CB . GLU A 1 48 ? 7.710 1.126 7.414 1.00 95.54 48 A 1 ATOM 400 C CG . GLU A 1 48 ? 7.837 -0.046 8.387 1.00 94.90 48 A 1 ATOM 401 C CD . GLU A 1 48 ? 8.902 0.181 9.450 1.00 94.61 48 A 1 ATOM 402 O OE1 . GLU A 1 48 ? 10.091 -0.017 9.153 1.00 91.54 48 A 1 ATOM 403 O OE2 . GLU A 1 48 ? 8.536 0.563 10.581 1.00 91.08 48 A 1 ATOM 404 N N . ASN A 1 49 ? 5.076 -0.833 6.629 1.00 95.62 49 A 1 ATOM 405 C CA . ASN A 1 49 ? 3.830 -1.382 7.152 1.00 95.50 49 A 1 ATOM 406 C C . ASN A 1 49 ? 3.921 -1.446 8.675 1.00 95.73 49 A 1 ATOM 407 O O . ASN A 1 49 ? 4.734 -2.194 9.218 1.00 95.18 49 A 1 ATOM 408 C CB . ASN A 1 49 ? 3.592 -2.772 6.555 1.00 94.41 49 A 1 ATOM 409 C CG . ASN A 1 49 ? 2.254 -3.373 6.953 1.00 91.90 49 A 1 ATOM 410 O OD1 . ASN A 1 49 ? 1.793 -3.226 8.077 1.00 85.54 49 A 1 ATOM 411 N ND2 . ASN A 1 49 ? 1.633 -4.087 6.019 1.00 83.46 49 A 1 ATOM 412 N N . ASN A 1 50 ? 3.101 -0.655 9.355 1.00 96.76 50 A 1 ATOM 413 C CA . ASN A 1 50 ? 3.082 -0.640 10.812 1.00 97.14 50 A 1 ATOM 414 C C . ASN A 1 50 ? 1.724 -1.074 11.342 1.00 97.19 50 A 1 ATOM 415 O O . ASN A 1 50 ? 0.681 -0.725 10.783 1.00 96.96 50 A 1 ATOM 416 C CB . ASN A 1 50 ? 3.404 0.755 11.360 1.00 97.27 50 A 1 ATOM 417 C CG . ASN A 1 50 ? 4.872 1.124 11.237 1.00 97.11 50 A 1 ATOM 418 O OD1 . ASN A 1 50 ? 5.224 2.306 11.203 1.00 90.95 50 A 1 ATOM 419 N ND2 . ASN A 1 50 ? 5.744 0.121 11.187 1.00 90.07 50 A 1 ATOM 420 N N . CYS A 1 51 ? 1.748 -1.829 12.431 1.00 96.97 51 A 1 ATOM 421 C CA . CYS A 1 51 ? 0.543 -2.242 13.133 1.00 96.81 51 A 1 ATOM 422 C C . CYS A 1 51 ? 0.498 -1.558 14.490 1.00 96.99 51 A 1 ATOM 423 O O . CYS A 1 51 ? 1.489 -1.563 15.224 1.00 96.94 51 A 1 ATOM 424 C CB . CYS A 1 51 ? 0.507 -3.761 13.306 1.00 96.26 51 A 1 ATOM 425 S SG . CYS A 1 51 ? -0.786 -4.356 14.431 1.00 94.85 51 A 1 ATOM 426 N N . LEU A 1 52 ? -0.644 -0.969 14.817 1.00 97.34 52 A 1 ATOM 427 C CA . LEU A 1 52 ? -0.870 -0.361 16.118 1.00 97.68 52 A 1 ATOM 428 C C . LEU A 1 52 ? -1.908 -1.193 16.857 1.00 97.44 52 A 1 ATOM 429 O O . LEU A 1 52 ? -3.059 -1.275 16.430 1.00 97.26 52 A 1 ATOM 430 C CB . LEU A 1 52 ? -1.360 1.084 15.984 1.00 98.04 52 A 1 ATOM 431 C CG . LEU A 1 52 ? -0.366 2.188 15.595 1.00 97.50 52 A 1 ATOM 432 C CD1 . LEU A 1 52 ? 0.256 1.951 14.235 1.00 96.14 52 A 1 ATOM 433 C CD2 . LEU A 1 52 ? -1.070 3.544 15.624 1.00 95.37 52 A 1 ATOM 434 N N . ASN A 1 53 ? -1.508 -1.837 17.949 1.00 96.94 53 A 1 ATOM 435 C CA . ASN A 1 53 ? -2.451 -2.532 18.812 1.00 96.57 53 A 1 ATOM 436 C C . ASN A 1 53 ? -2.173 -2.171 20.268 1.00 96.97 53 A 1 ATOM 437 O O . ASN A 1 53 ? -1.328 -1.321 20.550 1.00 96.98 53 A 1 ATOM 438 C CB . ASN A 1 53 ? -2.428 -4.051 18.568 1.00 95.75 53 A 1 ATOM 439 C CG . ASN A 1 53 ? -1.081 -4.690 18.868 1.00 95.43 53 A 1 ATOM 440 O OD1 . ASN A 1 53 ? -0.372 -4.285 19.782 1.00 93.07 53 A 1 ATOM 441 N ND2 . ASN A 1 53 ? -0.744 -5.723 18.103 1.00 91.92 53 A 1 ATOM 442 N N . ARG A 1 54 ? -2.882 -2.813 21.186 1.00 96.25 54 A 1 ATOM 443 C CA . ARG A 1 54 ? -2.781 -2.436 22.594 1.00 95.97 54 A 1 ATOM 444 C C . ARG A 1 54 ? -1.388 -2.675 23.176 1.00 96.00 54 A 1 ATOM 445 O O . ARG A 1 54 ? -1.057 -2.123 24.219 1.00 95.50 54 A 1 ATOM 446 C CB . ARG A 1 54 ? -3.820 -3.208 23.422 1.00 95.01 54 A 1 ATOM 447 C CG . ARG A 1 54 ? -3.490 -4.674 23.647 1.00 92.67 54 A 1 ATOM 448 C CD . ARG A 1 54 ? -4.448 -5.321 24.647 1.00 91.26 54 A 1 ATOM 449 N NE . ARG A 1 54 ? -5.714 -5.703 24.032 1.00 87.66 54 A 1 ATOM 450 C CZ . ARG A 1 54 ? -6.754 -6.187 24.712 1.00 86.23 54 A 1 ATOM 451 N NH1 . ARG A 1 54 ? -6.687 -6.325 26.026 1.00 78.69 54 A 1 ATOM 452 N NH2 . ARG A 1 54 ? -7.867 -6.532 24.072 1.00 80.45 54 A 1 ATOM 453 N N . TYR A 1 55 ? -0.577 -3.486 22.497 1.00 95.54 55 A 1 ATOM 454 C CA . TYR A 1 55 ? 0.734 -3.861 23.016 1.00 94.88 55 A 1 ATOM 455 C C . TYR A 1 55 ? 1.874 -3.008 22.476 1.00 95.13 55 A 1 ATOM 456 O O . TYR A 1 55 ? 2.968 -3.016 23.045 1.00 94.31 55 A 1 ATOM 457 C CB . TYR A 1 55 ? 1.014 -5.337 22.720 1.00 94.08 55 A 1 ATOM 458 C CG . TYR A 1 55 ? -0.065 -6.263 23.237 1.00 93.76 55 A 1 ATOM 459 C CD1 . TYR A 1 55 ? -0.265 -6.426 24.602 1.00 91.71 55 A 1 ATOM 460 C CD2 . TYR A 1 55 ? -0.886 -6.965 22.367 1.00 91.79 55 A 1 ATOM 461 C CE1 . TYR A 1 55 ? -1.251 -7.268 25.086 1.00 90.68 55 A 1 ATOM 462 C CE2 . TYR A 1 55 ? -1.875 -7.811 22.840 1.00 90.52 55 A 1 ATOM 463 C CZ . TYR A 1 55 ? -2.051 -7.960 24.200 1.00 90.38 55 A 1 ATOM 464 O OH . TYR A 1 55 ? -3.032 -8.796 24.681 1.00 88.26 55 A 1 ATOM 465 N N . GLY A 1 56 ? 1.647 -2.284 21.399 1.00 96.21 56 A 1 ATOM 466 C CA . GLY A 1 56 ? 2.700 -1.448 20.856 1.00 96.34 56 A 1 ATOM 467 C C . GLY A 1 56 ? 2.551 -1.197 19.375 1.00 96.87 56 A 1 ATOM 468 O O . GLY A 1 56 ? 1.515 -1.489 18.771 1.00 96.69 56 A 1 ATOM 469 N N . VAL A 1 57 ? 3.608 -0.636 18.802 1.00 96.93 57 A 1 ATOM 470 C CA . VAL A 1 57 ? 3.703 -0.420 17.366 1.00 97.39 57 A 1 ATOM 471 C C . VAL A 1 57 ? 4.649 -1.467 16.803 1.00 97.05 57 A 1 ATOM 472 O O . VAL A 1 57 ? 5.773 -1.624 17.290 1.00 96.64 57 A 1 ATOM 473 C CB . VAL A 1 57 ? 4.215 0.993 17.036 1.00 97.74 57 A 1 ATOM 474 C CG1 . VAL A 1 57 ? 4.356 1.176 15.527 1.00 97.70 57 A 1 ATOM 475 C CG2 . VAL A 1 57 ? 3.277 2.043 17.617 1.00 97.67 57 A 1 ATOM 476 N N . PHE A 1 58 ? 4.194 -2.184 15.779 1.00 96.66 58 A 1 ATOM 477 C CA . PHE A 1 58 ? 4.967 -3.275 15.198 1.00 96.24 58 A 1 ATOM 478 C C . PHE A 1 58 ? 5.213 -3.019 13.719 1.00 96.15 58 A 1 ATOM 479 O O . PHE A 1 58 ? 4.415 -2.367 13.043 1.00 95.79 58 A 1 ATOM 480 C CB . PHE A 1 58 ? 4.243 -4.614 15.375 1.00 95.74 58 A 1 ATOM 481 C CG . PHE A 1 58 ? 4.007 -4.994 16.811 1.00 95.61 58 A 1 ATOM 482 C CD1 . PHE A 1 58 ? 2.916 -4.497 17.506 1.00 94.83 58 A 1 ATOM 483 C CD2 . PHE A 1 58 ? 4.876 -5.849 17.465 1.00 94.92 58 A 1 ATOM 484 C CE1 . PHE A 1 58 ? 2.696 -4.845 18.829 1.00 94.10 58 A 1 ATOM 485 C CE2 . PHE A 1 58 ? 4.663 -6.206 18.784 1.00 94.15 58 A 1 ATOM 486 C CZ . PHE A 1 58 ? 3.573 -5.703 19.468 1.00 93.88 58 A 1 ATOM 487 N N . ALA A 1 59 ? 6.335 -3.543 13.226 1.00 94.82 59 A 1 ATOM 488 C CA . ALA A 1 59 ? 6.599 -3.549 11.794 1.00 93.23 59 A 1 ATOM 489 C C . ALA A 1 59 ? 6.088 -4.871 11.221 1.00 90.84 59 A 1 ATOM 490 O O . ALA A 1 59 ? 5.038 -5.359 11.626 1.00 82.09 59 A 1 ATOM 491 C CB . ALA A 1 59 ? 8.085 -3.335 11.523 1.00 91.33 59 A 1 ATOM 492 N N . ARG A 1 60 ? 6.830 -5.458 10.272 1.00 87.88 60 A 1 ATOM 493 C CA . ARG A 1 60 ? 6.385 -6.721 9.683 1.00 84.87 60 A 1 ATOM 494 C C . ARG A 1 60 ? 6.351 -7.839 10.719 1.00 83.75 60 A 1 ATOM 495 O O . ARG A 1 60 ? 5.435 -8.662 10.727 1.00 76.47 60 A 1 ATOM 496 C CB . ARG A 1 60 ? 7.281 -7.105 8.512 1.00 79.08 60 A 1 ATOM 497 C CG . ARG A 1 60 ? 6.877 -6.463 7.195 1.00 67.86 60 A 1 ATOM 498 C CD . ARG A 1 60 ? 5.557 -7.039 6.695 1.00 63.50 60 A 1 ATOM 499 N NE . ARG A 1 60 ? 5.090 -6.397 5.470 1.00 56.59 60 A 1 ATOM 500 C CZ . ARG A 1 60 ? 3.975 -6.721 4.823 1.00 51.60 60 A 1 ATOM 501 N NH1 . ARG A 1 60 ? 3.203 -7.697 5.277 1.00 46.99 60 A 1 ATOM 502 N NH2 . ARG A 1 60 ? 3.632 -6.072 3.721 1.00 44.89 60 A 1 ATOM 503 N N . SER A 1 61 ? 7.358 -7.888 11.583 1.00 83.73 61 A 1 ATOM 504 C CA . SER A 1 61 ? 7.413 -8.893 12.633 1.00 81.38 61 A 1 ATOM 505 C C . SER A 1 61 ? 6.695 -8.394 13.878 1.00 82.50 61 A 1 ATOM 506 O O . SER A 1 61 ? 6.864 -7.242 14.278 1.00 77.88 61 A 1 ATOM 507 C CB . SER A 1 61 ? 8.858 -9.240 12.979 1.00 76.33 61 A 1 ATOM 508 O OG . SER A 1 61 ? 8.914 -10.116 14.094 1.00 67.84 61 A 1 ATOM 509 N N . HIS A 1 62 ? 5.907 -9.273 14.486 1.00 82.78 62 A 1 ATOM 510 C CA . HIS A 1 62 ? 5.218 -8.940 15.724 1.00 83.49 62 A 1 ATOM 511 C C . HIS A 1 62 ? 5.916 -9.539 16.940 1.00 85.04 62 A 1 ATOM 512 O O . HIS A 1 62 ? 5.334 -9.595 18.026 1.00 81.75 62 A 1 ATOM 513 C CB . HIS A 1 62 ? 3.760 -9.403 15.667 1.00 79.95 62 A 1 ATOM 514 C CG . HIS A 1 62 ? 2.864 -8.488 14.890 1.00 77.59 62 A 1 ATOM 515 N ND1 . HIS A 1 62 ? 1.531 -8.311 15.201 1.00 70.31 62 A 1 ATOM 516 C CD2 . HIS A 1 62 ? 3.110 -7.686 13.836 1.00 67.34 62 A 1 ATOM 517 C CE1 . HIS A 1 62 ? 0.996 -7.453 14.358 1.00 67.91 62 A 1 ATOM 518 N NE2 . HIS A 1 62 ? 1.931 -7.053 13.524 1.00 68.12 62 A 1 ATOM 519 N N . ALA A 1 63 ? 7.160 -9.982 16.759 1.00 86.37 63 A 1 ATOM 520 C CA . ALA A 1 63 ? 7.912 -10.565 17.863 1.00 86.21 63 A 1 ATOM 521 C C . ALA A 1 63 ? 8.140 -9.543 18.970 1.00 87.87 63 A 1 ATOM 522 O O . ALA A 1 63 ? 7.954 -9.840 20.150 1.00 84.94 63 A 1 ATOM 523 C CB . ALA A 1 63 ? 9.241 -11.114 17.362 1.00 83.03 63 A 1 ATOM 524 N N . THR A 1 64 ? 8.549 -8.347 18.589 1.00 91.02 64 A 1 ATOM 525 C CA . THR A 1 64 ? 8.770 -7.263 19.533 1.00 92.13 64 A 1 ATOM 526 C C . THR A 1 64 ? 8.303 -5.953 18.908 1.00 93.42 64 A 1 ATOM 527 O O . THR A 1 64 ? 8.372 -5.784 17.687 1.00 92.57 64 A 1 ATOM 528 C CB . THR A 1 64 ? 10.255 -7.130 19.920 1.00 89.68 64 A 1 ATOM 529 O OG1 . THR A 1 64 ? 11.041 -6.946 18.736 1.00 79.31 64 A 1 ATOM 530 C CG2 . THR A 1 64 ? 10.736 -8.361 20.668 1.00 79.26 64 A 1 ATOM 531 N N . PRO A 1 65 ? 7.809 -5.020 19.724 1.00 94.24 65 A 1 ATOM 532 C CA . PRO A 1 65 ? 7.450 -3.703 19.188 1.00 94.77 65 A 1 ATOM 533 C C . PRO A 1 65 ? 8.668 -3.013 18.590 1.00 95.09 65 A 1 ATOM 534 O O . PRO A 1 65 ? 9.788 -3.175 19.079 1.00 94.09 65 A 1 ATOM 535 C CB . PRO A 1 65 ? 6.936 -2.946 20.416 1.00 93.69 65 A 1 ATOM 536 C CG . PRO A 1 65 ? 6.544 -4.010 21.388 1.00 91.58 65 A 1 ATOM 537 C CD . PRO A 1 65 ? 7.502 -5.140 21.159 1.00 94.05 65 A 1 ATOM 538 N N . THR A 1 66 ? 8.440 -2.255 17.517 1.00 95.67 66 A 1 ATOM 539 C CA . THR A 1 66 ? 9.543 -1.549 16.875 1.00 95.87 66 A 1 ATOM 540 C C . THR A 1 66 ? 9.963 -0.346 17.708 1.00 96.20 66 A 1 ATOM 541 O O . THR A 1 66 ? 9.145 0.287 18.381 1.00 95.68 66 A 1 ATOM 542 C CB . THR A 1 66 ? 9.168 -1.100 15.454 1.00 95.03 66 A 1 ATOM 543 O OG1 . THR A 1 66 ? 10.275 -0.405 14.869 1.00 89.51 66 A 1 ATOM 544 C CG2 . THR A 1 66 ? 7.956 -0.184 15.485 1.00 90.77 66 A 1 ATOM 545 N N . GLN A 1 67 ? 11.254 -0.048 17.660 1.00 96.08 67 A 1 ATOM 546 C CA . GLN A 1 67 ? 11.803 1.116 18.344 1.00 95.57 67 A 1 ATOM 547 C C . GLN A 1 67 ? 12.623 1.968 17.383 1.00 96.23 67 A 1 ATOM 548 O O . GLN A 1 67 ? 13.471 2.754 17.809 1.00 94.62 67 A 1 ATOM 549 C CB . GLN A 1 67 ? 12.665 0.689 19.540 1.00 93.71 67 A 1 ATOM 550 C CG . GLN A 1 67 ? 11.938 -0.149 20.578 1.00 87.75 67 A 1 ATOM 551 C CD . GLN A 1 67 ? 12.833 -0.573 21.731 1.00 78.06 67 A 1 ATOM 552 O OE1 . GLN A 1 67 ? 13.758 0.141 22.116 1.00 69.46 67 A 1 ATOM 553 N NE2 . GLN A 1 67 ? 12.566 -1.745 22.293 1.00 67.18 67 A 1 ATOM 554 N N . SER A 1 68 ? 12.368 1.825 16.089 1.00 95.97 68 A 1 ATOM 555 C CA . SER A 1 68 ? 13.138 2.541 15.084 1.00 96.39 68 A 1 ATOM 556 C C . SER A 1 68 ? 12.920 4.046 15.199 1.00 97.09 68 A 1 ATOM 557 O O . SER A 1 68 ? 11.877 4.512 15.663 1.00 97.03 68 A 1 ATOM 558 C CB . SER A 1 68 ? 12.754 2.070 13.682 1.00 95.89 68 A 1 ATOM 559 O OG . SER A 1 68 ? 11.416 2.413 13.381 1.00 95.25 68 A 1 ATOM 560 N N . ALA A 1 69 ? 13.915 4.802 14.760 1.00 96.96 69 A 1 ATOM 561 C CA . ALA A 1 69 ? 13.830 6.255 14.825 1.00 97.10 69 A 1 ATOM 562 C C . ALA A 1 69 ? 12.681 6.783 13.973 1.00 97.62 69 A 1 ATOM 563 O O . ALA A 1 69 ? 12.040 7.775 14.334 1.00 97.22 69 A 1 ATOM 564 C CB . ALA A 1 69 ? 15.151 6.877 14.382 1.00 96.36 69 A 1 ATOM 565 N N . TRP A 1 70 ? 12.406 6.118 12.848 1.00 97.59 70 A 1 ATOM 566 C CA . TRP A 1 70 ? 11.372 6.594 11.935 1.00 97.72 70 A 1 ATOM 567 C C . TRP A 1 70 ? 9.964 6.193 12.366 1.00 98.03 70 A 1 ATOM 568 O O . TRP A 1 70 ? 9.003 6.523 11.669 1.00 97.92 70 A 1 ATOM 569 C CB . TRP A 1 70 ? 11.645 6.117 10.505 1.00 97.30 70 A 1 ATOM 570 C CG . TRP A 1 70 ? 11.781 4.624 10.357 1.00 96.98 70 A 1 ATOM 571 C CD1 . TRP A 1 70 ? 10.788 3.722 10.108 1.00 95.59 70 A 1 ATOM 572 C CD2 . TRP A 1 70 ? 12.996 3.867 10.438 1.00 96.72 70 A 1 ATOM 573 N NE1 . TRP A 1 70 ? 11.307 2.455 10.034 1.00 94.86 70 A 1 ATOM 574 C CE2 . TRP A 1 70 ? 12.661 2.512 10.227 1.00 95.85 70 A 1 ATOM 575 C CE3 . TRP A 1 70 ? 14.337 4.201 10.659 1.00 94.62 70 A 1 ATOM 576 C CZ2 . TRP A 1 70 ? 13.613 1.492 10.246 1.00 93.99 70 A 1 ATOM 577 C CZ3 . TRP A 1 70 ? 15.280 3.178 10.679 1.00 94.10 70 A 1 ATOM 578 C CH2 . TRP A 1 70 ? 14.916 1.842 10.471 1.00 93.58 70 A 1 ATOM 579 N N . THR A 1 71 ? 9.829 5.490 13.496 1.00 98.27 71 A 1 ATOM 580 C CA . THR A 1 71 ? 8.513 5.224 14.058 1.00 98.33 71 A 1 ATOM 581 C C . THR A 1 71 ? 8.261 6.030 15.329 1.00 98.48 71 A 1 ATOM 582 O O . THR A 1 71 ? 7.223 5.856 15.967 1.00 98.38 71 A 1 ATOM 583 C CB . THR A 1 71 ? 8.308 3.728 14.371 1.00 98.01 71 A 1 ATOM 584 O OG1 . THR A 1 71 ? 9.323 3.275 15.277 1.00 97.05 71 A 1 ATOM 585 C CG2 . THR A 1 71 ? 8.338 2.901 13.093 1.00 96.93 71 A 1 ATOM 586 N N . TYR A 1 72 ? 9.185 6.905 15.699 1.00 98.34 72 A 1 ATOM 587 C CA . TYR A 1 72 ? 9.027 7.635 16.955 1.00 98.29 72 A 1 ATOM 588 C C . TYR A 1 72 ? 7.751 8.479 16.953 1.00 98.40 72 A 1 ATOM 589 O O . TYR A 1 72 ? 7.084 8.607 17.982 1.00 98.24 72 A 1 ATOM 590 C CB . TYR A 1 72 ? 10.257 8.512 17.236 1.00 98.00 72 A 1 ATOM 591 C CG . TYR A 1 72 ? 10.121 9.957 16.802 1.00 96.74 72 A 1 ATOM 592 C CD1 . TYR A 1 72 ? 10.475 10.355 15.523 1.00 94.82 72 A 1 ATOM 593 C CD2 . TYR A 1 72 ? 9.635 10.925 17.675 1.00 94.55 72 A 1 ATOM 594 C CE1 . TYR A 1 72 ? 10.347 11.674 15.121 1.00 92.83 72 A 1 ATOM 595 C CE2 . TYR A 1 72 ? 9.501 12.246 17.278 1.00 92.83 72 A 1 ATOM 596 C CZ . TYR A 1 72 ? 9.856 12.611 16.000 1.00 92.00 72 A 1 ATOM 597 O OH . TYR A 1 72 ? 9.723 13.919 15.599 1.00 90.70 72 A 1 ATOM 598 N N . LYS A 1 73 ? 7.413 9.045 15.813 1.00 98.37 73 A 1 ATOM 599 C CA . LYS A 1 73 ? 6.256 9.931 15.743 1.00 98.31 73 A 1 ATOM 600 C C . LYS A 1 73 ? 4.955 9.144 15.848 1.00 98.48 73 A 1 ATOM 601 O O . LYS A 1 73 ? 4.033 9.543 16.568 1.00 98.28 73 A 1 ATOM 602 C CB . LYS A 1 73 ? 6.298 10.756 14.452 1.00 97.86 73 A 1 ATOM 603 C CG . LYS A 1 73 ? 5.375 11.960 14.460 1.00 95.20 73 A 1 ATOM 604 C CD . LYS A 1 73 ? 5.661 12.871 13.280 1.00 92.65 73 A 1 ATOM 605 C CE . LYS A 1 73 ? 4.805 14.125 13.318 1.00 89.21 73 A 1 ATOM 606 N NZ . LYS A 1 73 ? 5.115 15.031 12.178 1.00 82.51 73 A 1 ATOM 607 N N . ILE A 1 74 ? 4.869 8.017 15.142 1.00 98.64 74 A 1 ATOM 608 C CA . ILE A 1 74 ? 3.661 7.203 15.233 1.00 98.72 74 A 1 ATOM 609 C C . ILE A 1 74 ? 3.570 6.539 16.606 1.00 98.75 74 A 1 ATOM 610 O O . ILE A 1 74 ? 2.469 6.315 17.116 1.00 98.69 74 A 1 ATOM 611 C CB . ILE A 1 74 ? 3.591 6.160 14.092 1.00 98.60 74 A 1 ATOM 612 C CG1 . ILE A 1 74 ? 2.193 5.534 14.037 1.00 97.81 74 A 1 ATOM 613 C CG2 . ILE A 1 74 ? 4.670 5.081 14.243 1.00 98.12 74 A 1 ATOM 614 C CD1 . ILE A 1 74 ? 1.091 6.520 13.732 1.00 97.12 74 A 1 ATOM 615 N N . ARG A 1 75 ? 4.706 6.230 17.226 1.00 98.72 75 A 1 ATOM 616 C CA . ARG A 1 75 ? 4.685 5.699 18.589 1.00 98.63 75 A 1 ATOM 617 C C . ARG A 1 75 ? 4.192 6.758 19.574 1.00 98.61 75 A 1 ATOM 618 O O . ARG A 1 75 ? 3.528 6.431 20.560 1.00 98.48 75 A 1 ATOM 619 C CB . ARG A 1 75 ? 6.070 5.180 18.987 1.00 98.41 75 A 1 ATOM 620 C CG . ARG A 1 75 ? 6.397 3.825 18.367 1.00 97.56 75 A 1 ATOM 621 C CD . ARG A 1 75 ? 7.713 3.243 18.867 1.00 96.84 75 A 1 ATOM 622 N NE . ARG A 1 75 ? 8.880 3.856 18.229 1.00 95.12 75 A 1 ATOM 623 C CZ . ARG A 1 75 ? 9.770 4.618 18.851 1.00 96.30 75 A 1 ATOM 624 N NH1 . ARG A 1 75 ? 9.643 4.872 20.145 1.00 90.63 75 A 1 ATOM 625 N NH2 . ARG A 1 75 ? 10.796 5.123 18.179 1.00 91.42 75 A 1 ATOM 626 N N . GLN A 1 76 ? 4.505 8.011 19.305 1.00 98.59 76 A 1 ATOM 627 C CA . GLN A 1 76 ? 3.999 9.104 20.129 1.00 98.45 76 A 1 ATOM 628 C C . GLN A 1 76 ? 2.478 9.195 20.020 1.00 98.47 76 A 1 ATOM 629 O O . GLN A 1 76 ? 1.784 9.364 21.027 1.00 98.02 76 A 1 ATOM 630 C CB . GLN A 1 76 ? 4.656 10.420 19.710 1.00 98.04 76 A 1 ATOM 631 C CG . GLN A 1 76 ? 4.464 11.564 20.686 1.00 93.70 76 A 1 ATOM 632 C CD . GLN A 1 76 ? 5.259 12.793 20.288 1.00 84.67 76 A 1 ATOM 633 O OE1 . GLN A 1 76 ? 5.350 13.132 19.106 1.00 75.42 76 A 1 ATOM 634 N NE2 . GLN A 1 76 ? 5.846 13.465 21.268 1.00 71.97 76 A 1 ATOM 635 N N . ARG A 1 77 ? 1.959 9.077 18.794 1.00 98.47 77 A 1 ATOM 636 C CA . ARG A 1 77 ? 0.510 9.043 18.583 1.00 98.31 77 A 1 ATOM 637 C C . ARG A 1 77 ? -0.111 7.830 19.265 1.00 98.45 77 A 1 ATOM 638 O O . ARG A 1 77 ? -1.161 7.929 19.907 1.00 98.06 77 A 1 ATOM 639 C CB . ARG A 1 77 ? 0.184 9.021 17.086 1.00 97.59 77 A 1 ATOM 640 C CG . ARG A 1 77 ? 0.422 10.334 16.351 1.00 91.51 77 A 1 ATOM 641 C CD . ARG A 1 77 ? -0.637 11.364 16.704 1.00 89.32 77 A 1 ATOM 642 N NE . ARG A 1 77 ? -1.997 10.854 16.559 1.00 89.79 77 A 1 ATOM 643 C CZ . ARG A 1 77 ? -2.667 10.822 15.420 1.00 90.35 77 A 1 ATOM 644 N NH1 . ARG A 1 77 ? -2.117 11.272 14.302 1.00 82.97 77 A 1 ATOM 645 N NH2 . ARG A 1 77 ? -3.901 10.337 15.385 1.00 83.95 77 A 1 ATOM 646 N N . TRP A 1 78 ? 0.557 6.685 19.131 1.00 98.60 78 A 1 ATOM 647 C CA . TRP A 1 78 ? 0.058 5.444 19.713 1.00 98.63 78 A 1 ATOM 648 C C . TRP A 1 78 ? -0.088 5.544 21.233 1.00 98.58 78 A 1 ATOM 649 O O . TRP A 1 78 ? -1.051 5.018 21.801 1.00 98.37 78 A 1 ATOM 650 C CB . TRP A 1 78 ? 0.986 4.279 19.339 1.00 98.55 78 A 1 ATOM 651 C CG . TRP A 1 78 ? 0.715 3.018 20.103 1.00 98.42 78 A 1 ATOM 652 C CD1 . TRP A 1 78 ? -0.237 2.083 19.835 1.00 97.97 78 A 1 ATOM 653 C CD2 . TRP A 1 78 ? 1.412 2.561 21.272 1.00 98.25 78 A 1 ATOM 654 N NE1 . TRP A 1 78 ? -0.180 1.069 20.762 1.00 97.71 78 A 1 ATOM 655 C CE2 . TRP A 1 78 ? 0.825 1.338 21.655 1.00 97.91 78 A 1 ATOM 656 C CE3 . TRP A 1 78 ? 2.476 3.067 22.028 1.00 97.81 78 A 1 ATOM 657 C CZ2 . TRP A 1 78 ? 1.265 0.614 22.763 1.00 97.12 78 A 1 ATOM 658 C CZ3 . TRP A 1 78 ? 2.907 2.342 23.133 1.00 97.04 78 A 1 ATOM 659 C CH2 . TRP A 1 78 ? 2.301 1.132 23.486 1.00 96.87 78 A 1 ATOM 660 N N . GLN A 1 79 ? 0.850 6.213 21.884 1.00 98.61 79 A 1 ATOM 661 C CA . GLN A 1 79 ? 0.778 6.374 23.335 1.00 98.48 79 A 1 ATOM 662 C C . GLN A 1 79 ? -0.525 7.041 23.760 1.00 98.46 79 A 1 ATOM 663 O O . GLN A 1 79 ? -1.060 6.746 24.833 1.00 97.73 79 A 1 ATOM 664 C CB . GLN A 1 79 ? 1.969 7.193 23.841 1.00 98.03 79 A 1 ATOM 665 C CG . GLN A 1 79 ? 3.306 6.466 23.800 1.00 90.84 79 A 1 ATOM 666 C CD . GLN A 1 79 ? 3.440 5.422 24.893 1.00 88.99 79 A 1 ATOM 667 O OE1 . GLN A 1 79 ? 2.601 5.313 25.787 1.00 79.93 79 A 1 ATOM 668 N NE2 . GLN A 1 79 ? 4.513 4.641 24.832 1.00 77.00 79 A 1 ATOM 669 N N . LEU A 1 80 ? -1.045 7.928 22.914 1.00 98.24 80 A 1 ATOM 670 C CA . LEU A 1 80 ? -2.249 8.682 23.246 1.00 97.83 80 A 1 ATOM 671 C C . LEU A 1 80 ? -3.529 7.890 23.006 1.00 97.78 80 A 1 ATOM 672 O O . LEU A 1 80 ? -4.566 8.215 23.588 1.00 96.37 80 A 1 ATOM 673 C CB . LEU A 1 80 ? -2.296 9.984 22.442 1.00 97.18 80 A 1 ATOM 674 C CG . LEU A 1 80 ? -1.099 10.925 22.609 1.00 95.13 80 A 1 ATOM 675 C CD1 . LEU A 1 80 ? -1.235 12.133 21.701 1.00 91.75 80 A 1 ATOM 676 C CD2 . LEU A 1 80 ? -0.957 11.351 24.063 1.00 91.14 80 A 1 ATOM 677 N N . LEU A 1 81 ? -3.480 6.860 22.159 1.00 97.99 81 A 1 ATOM 678 C CA . LEU A 1 81 ? -4.687 6.120 21.801 1.00 97.71 81 A 1 ATOM 679 C C . LEU A 1 81 ? -4.639 4.639 22.176 1.00 98.13 81 A 1 ATOM 680 O O . LEU A 1 81 ? -5.623 3.927 21.963 1.00 97.57 81 A 1 ATOM 681 C CB . LEU A 1 81 ? -4.980 6.274 20.300 1.00 96.02 81 A 1 ATOM 682 C CG . LEU A 1 81 ? -3.875 5.921 19.298 1.00 94.50 81 A 1 ATOM 683 C CD1 . LEU A 1 81 ? -3.804 4.424 19.044 1.00 92.01 81 A 1 ATOM 684 C CD2 . LEU A 1 81 ? -4.091 6.666 17.984 1.00 92.28 81 A 1 ATOM 685 N N . LYS A 1 82 ? -3.527 4.168 22.732 1.00 98.05 82 A 1 ATOM 686 C CA . LYS A 1 82 ? -3.345 2.736 22.965 1.00 98.02 82 A 1 ATOM 687 C C . LYS A 1 82 ? -4.417 2.140 23.872 1.00 98.05 82 A 1 ATOM 688 O O . LYS A 1 82 ? -4.819 0.993 23.674 1.00 97.61 82 A 1 ATOM 689 C CB . LYS A 1 82 ? -1.953 2.472 23.556 1.00 97.43 82 A 1 ATOM 690 C CG . LYS A 1 82 ? -1.685 3.169 24.888 1.00 96.83 82 A 1 ATOM 691 C CD . LYS A 1 82 ? -0.265 2.891 25.379 1.00 95.23 82 A 1 ATOM 692 C CE . LYS A 1 82 ? 0.005 3.598 26.694 1.00 91.26 82 A 1 ATOM 693 N NZ . LYS A 1 82 ? 1.400 3.374 27.176 1.00 86.83 82 A 1 ATOM 694 N N . ASN A 1 83 ? -4.891 2.899 24.839 1.00 98.14 83 A 1 ATOM 695 C CA . ASN A 1 83 ? -5.873 2.379 25.785 1.00 98.06 83 A 1 ATOM 696 C C . ASN A 1 83 ? -7.291 2.378 25.226 1.00 98.15 83 A 1 ATOM 697 O O . ASN A 1 83 ? -8.206 1.869 25.875 1.00 96.87 83 A 1 ATOM 698 C CB . ASN A 1 83 ? -5.823 3.175 27.095 1.00 97.63 83 A 1 ATOM 699 C CG . ASN A 1 83 ? -4.528 2.975 27.856 1.00 96.06 83 A 1 ATOM 700 O OD1 . ASN A 1 83 ? -3.970 1.879 27.878 1.00 89.28 83 A 1 ATOM 701 N ND2 . ASN A 1 83 ? -4.034 4.038 28.481 1.00 88.52 83 A 1 ATOM 702 N N . ASP A 1 84 ? -7.480 2.928 24.031 1.00 98.08 84 A 1 ATOM 703 C CA . ASP A 1 84 ? -8.786 2.948 23.381 1.00 97.90 84 A 1 ATOM 704 C C . ASP A 1 84 ? -8.916 1.865 22.317 1.00 98.12 84 A 1 ATOM 705 O O . ASP A 1 84 ? -9.984 1.713 21.722 1.00 97.09 84 A 1 ATOM 706 C CB . ASP A 1 84 ? -9.043 4.321 22.746 1.00 97.25 84 A 1 ATOM 707 C CG . ASP A 1 84 ? -9.044 5.442 23.766 1.00 95.35 84 A 1 ATOM 708 O OD1 . ASP A 1 84 ? -9.527 5.222 24.894 1.00 91.53 84 A 1 ATOM 709 O OD2 . ASP A 1 84 ? -8.559 6.544 23.437 1.00 90.70 84 A 1 ATOM 710 N N . LEU A 1 85 ? -7.843 1.113 22.063 1.00 98.18 85 A 1 ATOM 711 C CA . LEU A 1 85 ? -7.842 0.161 20.957 1.00 98.18 85 A 1 ATOM 712 C C . LEU A 1 85 ? -8.582 -1.132 21.281 1.00 98.04 85 A 1 ATOM 713 O O . LEU A 1 85 ? -9.259 -1.692 20.417 1.00 96.81 85 A 1 ATOM 714 C CB . LEU A 1 85 ? -6.403 -0.154 20.539 1.00 97.97 85 A 1 ATOM 715 C CG . LEU A 1 85 ? -5.647 0.993 19.862 1.00 97.81 85 A 1 ATOM 716 C CD1 . LEU A 1 85 ? -4.200 0.605 19.604 1.00 97.39 85 A 1 ATOM 717 C CD2 . LEU A 1 85 ? -6.339 1.382 18.560 1.00 97.06 85 A 1 ATOM 718 N N . GLY A 1 86 ? -8.466 -1.619 22.501 1.00 97.68 86 A 1 ATOM 719 C CA . GLY A 1 86 ? -9.083 -2.892 22.837 1.00 97.29 86 A 1 ATOM 720 C C . GLY A 1 86 ? -8.543 -3.993 21.947 1.00 97.32 86 A 1 ATOM 721 O O . GLY A 1 86 ? -7.332 -4.216 21.885 1.00 96.29 86 A 1 ATOM 722 N N . ASP A 1 87 ? -9.437 -4.681 21.238 1.00 97.23 87 A 1 ATOM 723 C CA . ASP A 1 87 ? -9.040 -5.748 20.326 1.00 97.04 87 A 1 ATOM 724 C C . ASP A 1 87 ? -8.728 -5.232 18.926 1.00 97.30 87 A 1 ATOM 725 O O . ASP A 1 87 ? -8.400 -6.024 18.040 1.00 96.74 87 A 1 ATOM 726 C CB . ASP A 1 87 ? -10.136 -6.816 20.246 1.00 96.28 87 A 1 ATOM 727 C CG . ASP A 1 87 ? -10.278 -7.611 21.531 1.00 95.22 87 A 1 ATOM 728 O OD1 . ASP A 1 87 ? -9.275 -7.754 22.258 1.00 93.04 87 A 1 ATOM 729 O OD2 . ASP A 1 87 ? -11.393 -8.092 21.814 1.00 92.13 87 A 1 ATOM 730 N N . LEU A 1 88 ? -8.830 -3.926 18.714 1.00 97.74 88 A 1 ATOM 731 C CA . LEU A 1 88 ? -8.571 -3.368 17.396 1.00 97.88 88 A 1 ATOM 732 C C . LEU A 1 88 ? -7.080 -3.353 17.092 1.00 97.58 88 A 1 ATOM 733 O O . LEU A 1 88 ? -6.252 -3.052 17.957 1.00 97.14 88 A 1 ATOM 734 C CB . LEU A 1 88 ? -9.122 -1.948 17.280 1.00 98.07 88 A 1 ATOM 735 C CG . LEU A 1 88 ? -10.634 -1.775 17.423 1.00 97.25 88 A 1 ATOM 736 C CD1 . LEU A 1 88 ? -10.986 -0.296 17.448 1.00 96.63 88 A 1 ATOM 737 C CD2 . LEU A 1 88 ? -11.359 -2.480 16.290 1.00 96.32 88 A 1 ATOM 738 N N . GLU A 1 89 ? -6.741 -3.680 15.850 1.00 97.56 89 A 1 ATOM 739 C CA . GLU A 1 89 ? -5.376 -3.587 15.356 1.00 97.29 89 A 1 ATOM 740 C C . GLU A 1 89 ? -5.392 -2.747 14.092 1.00 97.58 89 A 1 ATOM 741 O O . GLU A 1 89 ? -5.981 -3.142 13.084 1.00 97.59 89 A 1 ATOM 742 C CB . GLU A 1 89 ? -4.800 -4.980 15.085 1.00 96.51 89 A 1 ATOM 743 C CG . GLU A 1 89 ? -4.666 -5.842 16.334 1.00 94.71 89 A 1 ATOM 744 C CD . GLU A 1 89 ? -4.254 -7.266 16.020 1.00 92.61 89 A 1 ATOM 745 O OE1 . GLU A 1 89 ? -5.137 -8.070 15.667 1.00 88.24 89 A 1 ATOM 746 O OE2 . GLU A 1 89 ? -3.049 -7.573 16.117 1.00 87.17 89 A 1 ATOM 747 N N . LEU A 1 90 ? -4.773 -1.579 14.161 1.00 97.90 90 A 1 ATOM 748 C CA . LEU A 1 90 ? -4.757 -0.649 13.041 1.00 98.12 90 A 1 ATOM 749 C C . LEU A 1 90 ? -3.519 -0.894 12.191 1.00 97.87 90 A 1 ATOM 750 O O . LEU A 1 90 ? -2.404 -0.934 12.712 1.00 97.69 90 A 1 ATOM 751 C CB . LEU A 1 90 ? -4.767 0.796 13.541 1.00 98.38 90 A 1 ATOM 752 C CG . LEU A 1 90 ? -5.801 1.159 14.613 1.00 98.16 90 A 1 ATOM 753 C CD1 . LEU A 1 90 ? -5.679 2.632 14.981 1.00 97.89 90 A 1 ATOM 754 C CD2 . LEU A 1 90 ? -7.206 0.835 14.142 1.00 97.74 90 A 1 ATOM 755 N N . PHE A 1 91 ? -3.715 -1.063 10.886 1.00 97.98 91 A 1 ATOM 756 C CA . PHE A 1 91 ? -2.612 -1.277 9.958 1.00 97.90 91 A 1 ATOM 757 C C . PHE A 1 91 ? -2.540 -0.106 8.993 1.00 98.15 91 A 1 ATOM 758 O O . PHE A 1 91 ? -3.530 0.239 8.344 1.00 98.13 91 A 1 ATOM 759 C CB . PHE A 1 91 ? -2.780 -2.587 9.188 1.00 97.44 91 A 1 ATOM 760 C CG . PHE A 1 91 ? -2.658 -3.812 10.048 1.00 97.11 91 A 1 ATOM 761 C CD1 . PHE A 1 91 ? -3.745 -4.286 10.767 1.00 96.40 91 A 1 ATOM 762 C CD2 . PHE A 1 91 ? -1.451 -4.487 10.141 1.00 96.45 91 A 1 ATOM 763 C CE1 . PHE A 1 91 ? -3.632 -5.413 11.566 1.00 95.68 91 A 1 ATOM 764 C CE2 . PHE A 1 91 ? -1.331 -5.615 10.932 1.00 95.61 91 A 1 ATOM 765 C CZ . PHE A 1 91 ? -2.422 -6.079 11.647 1.00 95.44 91 A 1 ATOM 766 N N . GLY A 1 92 ? -1.375 0.507 8.905 1.00 98.12 92 A 1 ATOM 767 C CA . GLY A 1 92 ? -1.201 1.649 8.032 1.00 98.07 92 A 1 ATOM 768 C C . GLY A 1 92 ? 0.201 1.724 7.481 1.00 97.85 92 A 1 ATOM 769 O O . GLY A 1 92 ? 1.109 1.014 7.931 1.00 97.47 92 A 1 ATOM 770 N N . GLU A 1 93 ? 0.372 2.572 6.483 1.00 98.18 93 A 1 ATOM 771 C CA . GLU A 1 93 ? 1.671 2.790 5.862 1.00 98.27 93 A 1 ATOM 772 C C . GLU A 1 93 ? 2.315 4.013 6.499 1.00 98.53 93 A 1 ATOM 773 O O . GLU A 1 93 ? 1.777 5.119 6.432 1.00 98.34 93 A 1 ATOM 774 C CB . GLU A 1 93 ? 1.528 2.973 4.351 1.00 97.58 93 A 1 ATOM 775 C CG . GLU A 1 93 ? 2.820 2.711 3.583 1.00 92.26 93 A 1 ATOM 776 C CD . GLU A 1 93 ? 3.193 1.235 3.529 1.00 93.91 93 A 1 ATOM 777 O OE1 . GLU A 1 93 ? 2.401 0.389 4.000 1.00 91.02 93 A 1 ATOM 778 O OE2 . GLU A 1 93 ? 4.285 0.920 3.008 1.00 90.48 93 A 1 ATOM 779 N N . ASN A 1 94 ? 3.466 3.805 7.120 1.00 98.44 94 A 1 ATOM 780 C CA . ASN A 1 94 ? 4.213 4.870 7.776 1.00 98.52 94 A 1 ATOM 781 C C . ASN A 1 94 ? 5.150 5.516 6.764 1.00 98.44 94 A 1 ATOM 782 O O . ASN A 1 94 ? 6.104 4.886 6.301 1.00 98.05 94 A 1 ATOM 783 C CB . ASN A 1 94 ? 4.998 4.302 8.958 1.00 98.43 94 A 1 ATOM 784 C CG . ASN A 1 94 ? 5.658 5.373 9.807 1.00 98.27 94 A 1 ATOM 785 O OD1 . ASN A 1 94 ? 5.783 6.526 9.396 1.00 95.72 94 A 1 ATOM 786 N ND2 . ASN A 1 94 ? 6.087 4.991 11.003 1.00 95.10 94 A 1 ATOM 787 N N . LEU A 1 95 ? 4.880 6.765 6.425 1.00 98.70 95 A 1 ATOM 788 C CA . LEU A 1 95 ? 5.657 7.502 5.437 1.00 98.69 95 A 1 ATOM 789 C C . LEU A 1 95 ? 6.547 8.562 6.080 1.00 98.65 95 A 1 ATOM 790 O O . LEU A 1 95 ? 7.016 9.472 5.392 1.00 98.27 95 A 1 ATOM 791 C CB . LEU A 1 95 ? 4.729 8.156 4.406 1.00 98.59 95 A 1 ATOM 792 C CG . LEU A 1 95 ? 3.816 7.209 3.626 1.00 98.08 95 A 1 ATOM 793 C CD1 . LEU A 1 95 ? 2.935 8.000 2.662 1.00 97.22 95 A 1 ATOM 794 C CD2 . LEU A 1 95 ? 4.636 6.179 2.869 1.00 96.86 95 A 1 ATOM 795 N N . TYR A 1 96 ? 6.791 8.449 7.383 1.00 98.56 96 A 1 ATOM 796 C CA . TYR A 1 96 ? 7.620 9.441 8.060 1.00 98.54 96 A 1 ATOM 797 C C . TYR A 1 96 ? 9.010 9.512 7.442 1.00 98.49 96 A 1 ATOM 798 O O . TYR A 1 96 ? 9.594 10.595 7.321 1.00 98.16 96 A 1 ATOM 799 C CB . TYR A 1 96 ? 7.731 9.124 9.551 1.00 98.41 96 A 1 ATOM 800 C CG . TYR A 1 96 ? 8.606 10.110 10.298 1.00 98.20 96 A 1 ATOM 801 C CD1 . TYR A 1 96 ? 8.120 11.358 10.660 1.00 97.47 96 A 1 ATOM 802 C CD2 . TYR A 1 96 ? 9.920 9.798 10.621 1.00 97.47 96 A 1 ATOM 803 C CE1 . TYR A 1 96 ? 8.917 12.265 11.336 1.00 96.72 96 A 1 ATOM 804 C CE2 . TYR A 1 96 ? 10.726 10.703 11.296 1.00 96.69 96 A 1 ATOM 805 C CZ . TYR A 1 96 ? 10.218 11.934 11.651 1.00 96.75 96 A 1 ATOM 806 O OH . TYR A 1 96 ? 11.009 12.834 12.322 1.00 95.26 96 A 1 ATOM 807 N N . ALA A 1 97 ? 9.555 8.359 7.049 1.00 98.35 97 A 1 ATOM 808 C CA . ALA A 1 97 ? 10.844 8.296 6.376 1.00 98.09 97 A 1 ATOM 809 C C . ALA A 1 97 ? 10.642 8.070 4.886 1.00 97.92 97 A 1 ATOM 810 O O . ALA A 1 97 ? 9.709 7.380 4.472 1.00 97.44 97 A 1 ATOM 811 C CB . ALA A 1 97 ? 11.708 7.180 6.957 1.00 97.67 97 A 1 ATOM 812 N N . VAL A 1 98 ? 11.516 8.662 4.082 1.00 97.64 98 A 1 ATOM 813 C CA . VAL A 1 98 ? 11.523 8.394 2.652 1.00 97.36 98 A 1 ATOM 814 C C . VAL A 1 98 ? 12.081 6.994 2.423 1.00 96.97 98 A 1 ATOM 815 O O . VAL A 1 98 ? 13.126 6.637 2.979 1.00 96.07 98 A 1 ATOM 816 C CB . VAL A 1 98 ? 12.367 9.430 1.893 1.00 96.97 98 A 1 ATOM 817 C CG1 . VAL A 1 98 ? 12.403 9.097 0.402 1.00 96.39 98 A 1 ATOM 818 C CG2 . VAL A 1 98 ? 11.819 10.832 2.118 1.00 96.49 98 A 1 ATOM 819 N N . HIS A 1 99 ? 11.378 6.195 1.611 1.00 96.38 99 A 1 ATOM 820 C CA . HIS A 1 99 ? 11.881 4.874 1.248 1.00 95.69 99 A 1 ATOM 821 C C . HIS A 1 99 ? 12.419 4.938 -0.179 1.00 95.11 99 A 1 ATOM 822 O O . HIS A 1 99 ? 13.341 5.705 -0.434 1.00 93.62 99 A 1 ATOM 823 C CB . HIS A 1 99 ? 10.796 3.815 1.462 1.00 95.44 99 A 1 ATOM 824 C CG . HIS A 1 99 ? 10.512 3.550 2.913 1.00 95.01 99 A 1 ATOM 825 N ND1 . HIS A 1 99 ? 10.738 2.327 3.512 1.00 88.74 99 A 1 ATOM 826 C CD2 . HIS A 1 99 ? 10.050 4.356 3.892 1.00 89.39 99 A 1 ATOM 827 C CE1 . HIS A 1 99 ? 10.415 2.394 4.788 1.00 89.94 99 A 1 ATOM 828 N NE2 . HIS A 1 99 ? 9.997 3.617 5.047 1.00 91.10 99 A 1 ATOM 829 N N . SER A 1 100 ? 11.870 4.135 -1.105 1.00 94.92 100 A 1 ATOM 830 C CA . SER A 1 100 ? 12.356 4.177 -2.481 1.00 94.24 100 A 1 ATOM 831 C C . SER A 1 100 ? 11.630 5.220 -3.322 1.00 94.72 100 A 1 ATOM 832 O O . SER A 1 100 ? 12.050 5.504 -4.445 1.00 93.77 100 A 1 ATOM 833 C CB . SER A 1 100 ? 12.225 2.804 -3.138 1.00 92.36 100 A 1 ATOM 834 O OG . SER A 1 100 ? 13.082 1.862 -2.507 1.00 81.53 100 A 1 ATOM 835 N N . ILE A 1 101 ? 10.556 5.778 -2.789 1.00 95.94 101 A 1 ATOM 836 C CA . ILE A 1 101 ? 9.798 6.825 -3.458 1.00 96.28 101 A 1 ATOM 837 C C . ILE A 1 101 ? 9.678 8.010 -2.511 1.00 96.62 101 A 1 ATOM 838 O O . ILE A 1 101 ? 9.278 7.850 -1.355 1.00 96.66 101 A 1 ATOM 839 C CB . ILE A 1 101 ? 8.395 6.343 -3.879 1.00 96.23 101 A 1 ATOM 840 C CG1 . ILE A 1 101 ? 8.503 5.208 -4.901 1.00 95.69 101 A 1 ATOM 841 C CG2 . ILE A 1 101 ? 7.572 7.502 -4.437 1.00 95.82 101 A 1 ATOM 842 C CD1 . ILE A 1 101 ? 7.160 4.613 -5.303 1.00 95.11 101 A 1 ATOM 843 N N . GLU A 1 102 ? 10.033 9.183 -3.003 1.00 97.05 102 A 1 ATOM 844 C CA . GLU A 1 102 ? 9.833 10.410 -2.245 1.00 97.22 102 A 1 ATOM 845 C C . GLU A 1 102 ? 8.534 11.059 -2.699 1.00 97.47 102 A 1 ATOM 846 O O . GLU A 1 102 ? 8.404 11.440 -3.860 1.00 97.35 102 A 1 ATOM 847 C CB . GLU A 1 102 ? 10.997 11.386 -2.439 1.00 96.77 102 A 1 ATOM 848 C CG . GLU A 1 102 ? 10.835 12.688 -1.660 1.00 95.74 102 A 1 ATOM 849 C CD . GLU A 1 102 ? 11.879 13.734 -2.019 1.00 94.55 102 A 1 ATOM 850 O OE1 . GLU A 1 102 ? 12.006 14.060 -3.214 1.00 90.84 102 A 1 ATOM 851 O OE2 . GLU A 1 102 ? 12.563 14.228 -1.102 1.00 89.98 102 A 1 ATOM 852 N N . TYR A 1 103 ? 7.587 11.171 -1.791 1.00 98.00 103 A 1 ATOM 853 C CA . TYR A 1 103 ? 6.325 11.836 -2.088 1.00 98.04 103 A 1 ATOM 854 C C . TYR A 1 103 ? 6.447 13.311 -1.728 1.00 97.84 103 A 1 ATOM 855 O O . TYR A 1 103 ? 6.811 13.654 -0.603 1.00 97.33 103 A 1 ATOM 856 C CB . TYR A 1 103 ? 5.181 11.186 -1.310 1.00 98.00 103 A 1 ATOM 857 C CG . TYR A 1 103 ? 4.965 9.729 -1.654 1.00 98.20 103 A 1 ATOM 858 C CD1 . TYR A 1 103 ? 4.320 9.363 -2.828 1.00 98.03 103 A 1 ATOM 859 C CD2 . TYR A 1 103 ? 5.405 8.720 -0.803 1.00 98.03 103 A 1 ATOM 860 C CE1 . TYR A 1 103 ? 4.118 8.029 -3.149 1.00 97.93 103 A 1 ATOM 861 C CE2 . TYR A 1 103 ? 5.208 7.384 -1.117 1.00 97.91 103 A 1 ATOM 862 C CZ . TYR A 1 103 ? 4.564 7.045 -2.294 1.00 98.09 103 A 1 ATOM 863 O OH . TYR A 1 103 ? 4.361 5.722 -2.606 1.00 97.69 103 A 1 ATOM 864 N N . ARG A 1 104 ? 6.145 14.166 -2.690 1.00 97.60 104 A 1 ATOM 865 C CA . ARG A 1 104 ? 6.335 15.602 -2.490 1.00 97.31 104 A 1 ATOM 866 C C . ARG A 1 104 ? 5.033 16.360 -2.255 1.00 97.19 104 A 1 ATOM 867 O O . ARG A 1 104 ? 5.041 17.594 -2.204 1.00 96.57 104 A 1 ATOM 868 C CB . ARG A 1 104 ? 7.092 16.202 -3.679 1.00 96.93 104 A 1 ATOM 869 C CG . ARG A 1 104 ? 8.474 15.591 -3.862 1.00 96.21 104 A 1 ATOM 870 C CD . ARG A 1 104 ? 9.319 16.353 -4.867 1.00 94.69 104 A 1 ATOM 871 N NE . ARG A 1 104 ? 10.678 15.818 -4.921 1.00 92.66 104 A 1 ATOM 872 C CZ . ARG A 1 104 ? 11.661 16.335 -5.652 1.00 89.91 104 A 1 ATOM 873 N NH1 . ARG A 1 104 ? 11.442 17.401 -6.409 1.00 87.90 104 A 1 ATOM 874 N NH2 . ARG A 1 104 ? 12.866 15.778 -5.630 1.00 86.74 104 A 1 ATOM 875 N N . ALA A 1 105 ? 3.936 15.637 -2.088 1.00 97.53 105 A 1 ATOM 876 C CA . ALA A 1 105 ? 2.642 16.270 -1.839 1.00 97.41 105 A 1 ATOM 877 C C . ALA A 1 105 ? 1.916 15.603 -0.676 1.00 97.64 105 A 1 ATOM 878 O O . ALA A 1 105 ? 0.692 15.448 -0.702 1.00 97.24 105 A 1 ATOM 879 C CB . ALA A 1 105 ? 1.778 16.250 -3.102 1.00 96.86 105 A 1 ATOM 880 N N . LEU A 1 106 ? 2.663 15.204 0.338 1.00 97.76 106 A 1 ATOM 881 C CA . LEU A 1 106 ? 2.069 14.566 1.505 1.00 97.75 106 A 1 ATOM 882 C C . LEU A 1 106 ? 1.418 15.592 2.424 1.00 97.48 106 A 1 ATOM 883 O O . LEU A 1 106 ? 1.978 16.663 2.678 1.00 96.66 106 A 1 ATOM 884 C CB . LEU A 1 106 ? 3.121 13.786 2.296 1.00 97.59 106 A 1 ATOM 885 C CG . LEU A 1 106 ? 3.711 12.530 1.656 1.00 97.05 106 A 1 ATOM 886 C CD1 . LEU A 1 106 ? 4.806 11.958 2.551 1.00 96.78 106 A 1 ATOM 887 C CD2 . LEU A 1 106 ? 2.626 11.496 1.401 1.00 96.42 106 A 1 ATOM 888 N N . GLU A 1 107 ? 0.229 15.237 2.921 1.00 96.93 107 A 1 ATOM 889 C CA . GLU A 1 107 ? -0.437 16.043 3.937 1.00 96.04 107 A 1 ATOM 890 C C . GLU A 1 107 ? -0.294 15.424 5.322 1.00 96.60 107 A 1 ATOM 891 O O . GLU A 1 107 ? -0.412 16.122 6.330 1.00 94.59 107 A 1 ATOM 892 C CB . GLU A 1 107 ? -1.919 16.218 3.592 1.00 93.83 107 A 1 ATOM 893 C CG . GLU A 1 107 ? -2.175 16.839 2.222 1.00 85.52 107 A 1 ATOM 894 C CD . GLU A 1 107 ? -1.719 18.287 2.147 1.00 75.16 107 A 1 ATOM 895 O OE1 . GLU A 1 107 ? -1.580 18.932 3.209 1.00 69.04 107 A 1 ATOM 896 O OE2 . GLU A 1 107 ? -1.500 18.781 1.023 1.00 68.52 107 A 1 ATOM 897 N N . GLN A 1 108 ? -0.040 14.122 5.369 1.00 97.59 108 A 1 ATOM 898 C CA . GLN A 1 108 ? 0.152 13.384 6.608 1.00 97.70 108 A 1 ATOM 899 C C . GLN A 1 108 ? 1.296 12.395 6.406 1.00 98.21 108 A 1 ATOM 900 O O . GLN A 1 108 ? 1.763 12.199 5.285 1.00 97.76 108 A 1 ATOM 901 C CB . GLN A 1 108 ? -1.129 12.640 7.017 1.00 96.70 108 A 1 ATOM 902 C CG . GLN A 1 108 ? -2.373 13.515 7.120 1.00 92.37 108 A 1 ATOM 903 C CD . GLN A 1 108 ? -2.343 14.436 8.328 1.00 87.52 108 A 1 ATOM 904 O OE1 . GLN A 1 108 ? -1.578 14.229 9.274 1.00 78.66 108 A 1 ATOM 905 N NE2 . GLN A 1 108 ? -3.188 15.459 8.307 1.00 74.78 108 A 1 ATOM 906 N N . ASP A 1 109 ? 1.754 11.767 7.496 1.00 97.69 109 A 1 ATOM 907 C CA . ASP A 1 109 ? 2.855 10.812 7.400 1.00 97.64 109 A 1 ATOM 908 C C . ASP A 1 109 ? 2.446 9.389 7.768 1.00 98.14 109 A 1 ATOM 909 O O . ASP A 1 109 ? 3.307 8.512 7.862 1.00 97.26 109 A 1 ATOM 910 C CB . ASP A 1 109 ? 4.043 11.264 8.267 1.00 95.55 109 A 1 ATOM 911 C CG . ASP A 1 109 ? 3.640 11.609 9.690 1.00 93.93 109 A 1 ATOM 912 O OD1 . ASP A 1 109 ? 2.635 11.068 10.178 1.00 88.39 109 A 1 ATOM 913 O OD2 . ASP A 1 109 ? 4.344 12.437 10.312 1.00 88.43 109 A 1 ATOM 914 N N . PHE A 1 110 ? 1.155 9.140 7.959 1.00 98.69 110 A 1 ATOM 915 C CA . PHE A 1 110 ? 0.674 7.796 8.264 1.00 98.78 110 A 1 ATOM 916 C C . PHE A 1 110 ? -0.714 7.634 7.669 1.00 98.82 110 A 1 ATOM 917 O O . PHE A 1 110 ? -1.596 8.458 7.927 1.00 98.66 110 A 1 ATOM 918 C CB . PHE A 1 110 ? 0.642 7.547 9.774 1.00 98.62 110 A 1 ATOM 919 C CG . PHE A 1 110 ? 0.327 6.122 10.152 1.00 98.47 110 A 1 ATOM 920 C CD1 . PHE A 1 110 ? 1.334 5.173 10.230 1.00 97.72 110 A 1 ATOM 921 C CD2 . PHE A 1 110 ? -0.975 5.733 10.433 1.00 97.70 110 A 1 ATOM 922 C CE1 . PHE A 1 110 ? 1.051 3.862 10.583 1.00 96.80 110 A 1 ATOM 923 C CE2 . PHE A 1 110 ? -1.267 4.421 10.784 1.00 96.80 110 A 1 ATOM 924 C CZ . PHE A 1 110 ? -0.251 3.485 10.860 1.00 96.86 110 A 1 ATOM 925 N N . TYR A 1 111 ? -0.909 6.570 6.888 1.00 98.86 111 A 1 ATOM 926 C CA . TYR A 1 111 ? -2.157 6.354 6.159 1.00 98.87 111 A 1 ATOM 927 C C . TYR A 1 111 ? -2.694 4.961 6.458 1.00 98.83 111 A 1 ATOM 928 O O . TYR A 1 111 ? -2.042 3.959 6.172 1.00 98.60 111 A 1 ATOM 929 C CB . TYR A 1 111 ? -1.951 6.538 4.648 1.00 98.84 111 A 1 ATOM 930 C CG . TYR A 1 111 ? -1.656 7.972 4.267 1.00 98.79 111 A 1 ATOM 931 C CD1 . TYR A 1 111 ? -2.673 8.824 3.862 1.00 98.52 111 A 1 ATOM 932 C CD2 . TYR A 1 111 ? -0.361 8.478 4.337 1.00 98.54 111 A 1 ATOM 933 C CE1 . TYR A 1 111 ? -2.415 10.140 3.527 1.00 98.21 111 A 1 ATOM 934 C CE2 . TYR A 1 111 ? -0.093 9.797 4.010 1.00 98.19 111 A 1 ATOM 935 C CZ . TYR A 1 111 ? -1.125 10.623 3.603 1.00 98.23 111 A 1 ATOM 936 O OH . TYR A 1 111 ? -0.868 11.932 3.273 1.00 97.32 111 A 1 ATOM 937 N N . LEU A 1 112 ? -3.891 4.896 7.024 1.00 98.84 112 A 1 ATOM 938 C CA . LEU A 1 112 ? -4.506 3.631 7.403 1.00 98.86 112 A 1 ATOM 939 C C . LEU A 1 112 ? -5.033 2.893 6.175 1.00 98.89 112 A 1 ATOM 940 O O . LEU A 1 112 ? -5.581 3.510 5.256 1.00 98.80 112 A 1 ATOM 941 C CB . LEU A 1 112 ? -5.653 3.882 8.389 1.00 98.71 112 A 1 ATOM 942 C CG . LEU A 1 112 ? -6.091 2.711 9.274 1.00 96.10 112 A 1 ATOM 943 C CD1 . LEU A 1 112 ? -5.007 2.390 10.291 1.00 92.04 112 A 1 ATOM 944 C CD2 . LEU A 1 112 ? -7.404 3.037 9.973 1.00 92.39 112 A 1 ATOM 945 N N . PHE A 1 113 ? -4.853 1.556 6.157 1.00 98.71 113 A 1 ATOM 946 C CA . PHE A 1 113 ? -5.402 0.768 5.053 1.00 98.64 113 A 1 ATOM 947 C C . PHE A 1 113 ? -6.173 -0.466 5.502 1.00 98.70 113 A 1 ATOM 948 O O . PHE A 1 113 ? -6.838 -1.096 4.677 1.00 98.45 113 A 1 ATOM 949 C CB . PHE A 1 113 ? -4.306 0.365 4.053 1.00 98.32 113 A 1 ATOM 950 C CG . PHE A 1 113 ? -3.160 -0.413 4.654 1.00 98.18 113 A 1 ATOM 951 C CD1 . PHE A 1 113 ? -3.286 -1.761 4.949 1.00 97.66 113 A 1 ATOM 952 C CD2 . PHE A 1 113 ? -1.943 0.205 4.892 1.00 97.48 113 A 1 ATOM 953 C CE1 . PHE A 1 113 ? -2.229 -2.476 5.492 1.00 96.75 113 A 1 ATOM 954 C CE2 . PHE A 1 113 ? -0.880 -0.505 5.433 1.00 96.67 113 A 1 ATOM 955 C CZ . PHE A 1 113 ? -1.024 -1.847 5.733 1.00 96.56 113 A 1 ATOM 956 N N . ALA A 1 114 ? -6.109 -0.827 6.773 1.00 98.45 114 A 1 ATOM 957 C CA . ALA A 1 114 ? -6.839 -1.994 7.249 1.00 98.38 114 A 1 ATOM 958 C C . ALA A 1 114 ? -7.002 -1.937 8.756 1.00 98.45 114 A 1 ATOM 959 O O . ALA A 1 114 ? -6.199 -1.322 9.460 1.00 98.30 114 A 1 ATOM 960 C CB . ALA A 1 114 ? -6.135 -3.294 6.846 1.00 98.02 114 A 1 ATOM 961 N N . VAL A 1 115 ? -8.059 -2.582 9.241 1.00 98.24 115 A 1 ATOM 962 C CA . VAL A 1 115 ? -8.279 -2.762 10.668 1.00 98.33 115 A 1 ATOM 963 C C . VAL A 1 115 ? -8.680 -4.210 10.897 1.00 98.06 115 A 1 ATOM 964 O O . VAL A 1 115 ? -9.594 -4.718 10.242 1.00 97.86 115 A 1 ATOM 965 C CB . VAL A 1 115 ? -9.370 -1.821 11.221 1.00 98.47 115 A 1 ATOM 966 C CG1 . VAL A 1 115 ? -9.581 -2.080 12.715 1.00 98.33 115 A 1 ATOM 967 C CG2 . VAL A 1 115 ? -9.000 -0.363 10.984 1.00 98.34 115 A 1 ATOM 968 N N . ARG A 1 116 ? -7.989 -4.872 11.808 1.00 97.86 116 A 1 ATOM 969 C CA . ARG A 1 116 ? -8.330 -6.231 12.198 1.00 97.46 116 A 1 ATOM 970 C C . ARG A 1 116 ? -8.913 -6.210 13.598 1.00 97.46 116 A 1 ATOM 971 O O . ARG A 1 116 ? -8.427 -5.500 14.483 1.00 97.30 116 A 1 ATOM 972 C CB . ARG A 1 116 ? -7.106 -7.148 12.142 1.00 96.61 116 A 1 ATOM 973 C CG . ARG A 1 116 ? -7.401 -8.610 12.493 1.00 95.21 116 A 1 ATOM 974 C CD . ARG A 1 116 ? -6.196 -9.502 12.179 1.00 93.49 116 A 1 ATOM 975 N NE . ARG A 1 116 ? -5.014 -9.122 12.945 1.00 91.05 116 A 1 ATOM 976 C CZ . ARG A 1 116 ? -3.759 -9.415 12.589 1.00 91.26 116 A 1 ATOM 977 N NH1 . ARG A 1 116 ? -3.522 -10.088 11.474 1.00 85.18 116 A 1 ATOM 978 N NH2 . ARG A 1 116 ? -2.743 -9.024 13.350 1.00 85.76 116 A 1 ATOM 979 N N . CYS A 1 117 ? -9.974 -6.976 13.795 1.00 97.29 117 A 1 ATOM 980 C CA . CYS A 1 117 ? -10.578 -7.144 15.109 1.00 97.28 117 A 1 ATOM 981 C C . CYS A 1 117 ? -10.818 -8.627 15.327 1.00 96.86 117 A 1 ATOM 982 O O . CYS A 1 117 ? -11.696 -9.215 14.696 1.00 96.29 117 A 1 ATOM 983 C CB . CYS A 1 117 ? -11.879 -6.354 15.232 1.00 97.44 117 A 1 ATOM 984 S SG . CYS A 1 117 ? -12.592 -6.397 16.895 1.00 96.14 117 A 1 ATOM 985 N N . GLN A 1 118 ? -10.019 -9.214 16.197 1.00 96.39 118 A 1 ATOM 986 C CA . GLN A 1 118 ? -10.076 -10.642 16.492 1.00 95.65 118 A 1 ATOM 987 C C . GLN A 1 118 ? -9.846 -11.444 15.211 1.00 95.11 118 A 1 ATOM 988 O O . GLN A 1 118 ? -8.768 -11.365 14.633 1.00 91.81 118 A 1 ATOM 989 C CB . GLN A 1 118 ? -11.387 -10.990 17.205 1.00 94.59 118 A 1 ATOM 990 C CG . GLN A 1 118 ? -11.525 -10.288 18.559 1.00 92.17 118 A 1 ATOM 991 C CD . GLN A 1 118 ? -12.805 -10.642 19.291 1.00 86.19 118 A 1 ATOM 992 O OE1 . GLN A 1 118 ? -13.763 -11.130 18.693 1.00 76.94 118 A 1 ATOM 993 N NE2 . GLN A 1 118 ? -12.836 -10.387 20.591 1.00 74.49 118 A 1 ATOM 994 N N . ASP A 1 119 ? -10.843 -12.202 14.746 1.00 95.09 119 A 1 ATOM 995 C CA . ASP A 1 119 ? -10.657 -13.061 13.581 1.00 94.88 119 A 1 ATOM 996 C C . ASP A 1 119 ? -11.251 -12.465 12.307 1.00 95.77 119 A 1 ATOM 997 O O . ASP A 1 119 ? -11.522 -13.194 11.348 1.00 95.10 119 A 1 ATOM 998 C CB . ASP A 1 119 ? -11.261 -14.449 13.835 1.00 92.89 119 A 1 ATOM 999 C CG . ASP A 1 119 ? -12.759 -14.400 14.082 1.00 85.78 119 A 1 ATOM 1000 O OD1 . ASP A 1 119 ? -13.275 -13.321 14.436 1.00 81.06 119 A 1 ATOM 1001 O OD2 . ASP A 1 119 ? -13.418 -15.451 13.928 1.00 80.41 119 A 1 ATOM 1002 N N . MET A 1 120 ? -11.438 -11.149 12.278 1.00 96.73 120 A 1 ATOM 1003 C CA . MET A 1 120 ? -12.056 -10.494 11.132 1.00 97.32 120 A 1 ATOM 1004 C C . MET A 1 120 ? -11.240 -9.296 10.669 1.00 97.51 120 A 1 ATOM 1005 O O . MET A 1 120 ? -10.725 -8.523 11.482 1.00 97.38 120 A 1 ATOM 1006 C CB . MET A 1 120 ? -13.482 -10.031 11.462 1.00 97.38 120 A 1 ATOM 1007 C CG . MET A 1 120 ? -14.471 -11.151 11.748 1.00 94.08 120 A 1 ATOM 1008 S SD . MET A 1 120 ? -14.826 -12.152 10.291 1.00 93.37 120 A 1 ATOM 1009 C CE . MET A 1 120 ? -15.638 -10.965 9.230 1.00 84.05 120 A 1 ATOM 1010 N N . TRP A 1 121 ? -11.112 -9.167 9.353 1.00 97.64 121 A 1 ATOM 1011 C CA . TRP A 1 121 ? -10.684 -7.918 8.748 1.00 97.74 121 A 1 ATOM 1012 C C . TRP A 1 121 ? -11.943 -7.093 8.509 1.00 98.10 121 A 1 ATOM 1013 O O . TRP A 1 121 ? -12.866 -7.548 7.828 1.00 98.07 121 A 1 ATOM 1014 C CB . TRP A 1 121 ? -9.936 -8.169 7.443 1.00 97.32 121 A 1 ATOM 1015 C CG . TRP A 1 121 ? -8.601 -8.820 7.635 1.00 96.98 121 A 1 ATOM 1016 C CD1 . TRP A 1 121 ? -8.298 -10.142 7.485 1.00 96.24 121 A 1 ATOM 1017 C CD2 . TRP A 1 121 ? -7.386 -8.175 8.038 1.00 96.70 121 A 1 ATOM 1018 N NE1 . TRP A 1 121 ? -6.969 -10.361 7.762 1.00 95.70 121 A 1 ATOM 1019 C CE2 . TRP A 1 121 ? -6.383 -9.170 8.102 1.00 96.00 121 A 1 ATOM 1020 C CE3 . TRP A 1 121 ? -7.043 -6.853 8.344 1.00 95.98 121 A 1 ATOM 1021 C CZ2 . TRP A 1 121 ? -5.067 -8.883 8.463 1.00 95.05 121 A 1 ATOM 1022 C CZ3 . TRP A 1 121 ? -5.731 -6.572 8.703 1.00 95.50 121 A 1 ATOM 1023 C CH2 . TRP A 1 121 ? -4.760 -7.581 8.756 1.00 95.07 121 A 1 ATOM 1024 N N . LEU A 1 122 ? -11.987 -5.901 9.090 1.00 98.48 122 A 1 ATOM 1025 C CA . LEU A 1 122 ? -13.196 -5.096 9.038 1.00 98.64 122 A 1 ATOM 1026 C C . LEU A 1 122 ? -13.423 -4.523 7.642 1.00 98.72 122 A 1 ATOM 1027 O O . LEU A 1 122 ? -12.499 -4.426 6.831 1.00 98.67 122 A 1 ATOM 1028 C CB . LEU A 1 122 ? -13.130 -3.975 10.075 1.00 98.63 122 A 1 ATOM 1029 C CG . LEU A 1 122 ? -12.928 -4.429 11.526 1.00 98.25 122 A 1 ATOM 1030 C CD1 . LEU A 1 122 ? -13.069 -3.249 12.476 1.00 97.88 122 A 1 ATOM 1031 C CD2 . LEU A 1 122 ? -13.904 -5.539 11.900 1.00 97.65 122 A 1 ATOM 1032 N N . SER A 1 123 ? -14.665 -4.145 7.382 1.00 98.90 123 A 1 ATOM 1033 C CA . SER A 1 123 ? -15.026 -3.599 6.082 1.00 98.93 123 A 1 ATOM 1034 C C . SER A 1 123 ? -14.320 -2.270 5.841 1.00 98.96 123 A 1 ATOM 1035 O O . SER A 1 123 ? -13.823 -1.625 6.770 1.00 98.94 123 A 1 ATOM 1036 C CB . SER A 1 123 ? -16.538 -3.394 5.993 1.00 98.88 123 A 1 ATOM 1037 O OG . SER A 1 123 ? -16.951 -2.330 6.830 1.00 98.56 123 A 1 ATOM 1038 N N . TRP A 1 124 ? -14.286 -1.874 4.577 1.00 98.93 124 A 1 ATOM 1039 C CA . TRP A 1 124 ? -13.646 -0.609 4.233 1.00 98.94 124 A 1 ATOM 1040 C C . TRP A 1 124 ? -14.343 0.567 4.910 1.00 98.94 124 A 1 ATOM 1041 O O . TRP A 1 124 ? -13.680 1.517 5.344 1.00 98.88 124 A 1 ATOM 1042 C CB . TRP A 1 124 ? -13.617 -0.420 2.715 1.00 98.91 124 A 1 ATOM 1043 C CG . TRP A 1 124 ? -12.881 0.813 2.275 1.00 98.90 124 A 1 ATOM 1044 C CD1 . TRP A 1 124 ? -13.390 1.869 1.576 1.00 98.78 124 A 1 ATOM 1045 C CD2 . TRP A 1 124 ? -11.506 1.124 2.521 1.00 98.86 124 A 1 ATOM 1046 N NE1 . TRP A 1 124 ? -12.418 2.806 1.356 1.00 98.70 124 A 1 ATOM 1047 C CE2 . TRP A 1 124 ? -11.251 2.380 1.928 1.00 98.77 124 A 1 ATOM 1048 C CE3 . TRP A 1 124 ? -10.460 0.466 3.176 1.00 98.78 124 A 1 ATOM 1049 C CZ2 . TRP A 1 124 ? -9.994 2.985 1.976 1.00 98.60 124 A 1 ATOM 1050 C CZ3 . TRP A 1 124 ? -9.212 1.078 3.224 1.00 98.57 124 A 1 ATOM 1051 C CH2 . TRP A 1 124 ? -8.993 2.320 2.627 1.00 98.54 124 A 1 ATOM 1052 N N . GLU A 1 125 ? -15.662 0.513 5.012 1.00 98.89 125 A 1 ATOM 1053 C CA . GLU A 1 125 ? -16.388 1.572 5.710 1.00 98.84 125 A 1 ATOM 1054 C C . GLU A 1 125 ? -15.971 1.640 7.175 1.00 98.90 125 A 1 ATOM 1055 O O . GLU A 1 125 ? -15.866 2.727 7.749 1.00 98.77 125 A 1 ATOM 1056 C CB . GLU A 1 125 ? -17.899 1.356 5.597 1.00 98.44 125 A 1 ATOM 1057 C CG . GLU A 1 125 ? -18.456 1.598 4.206 1.00 86.58 125 A 1 ATOM 1058 C CD . GLU A 1 125 ? -19.975 1.602 4.175 1.00 80.30 125 A 1 ATOM 1059 O OE1 . GLU A 1 125 ? -20.600 1.597 5.256 1.00 75.00 125 A 1 ATOM 1060 O OE2 . GLU A 1 125 ? -20.543 1.612 3.063 1.00 74.38 125 A 1 ATOM 1061 N N . GLU A 1 126 ? -15.721 0.481 7.784 1.00 98.92 126 A 1 ATOM 1062 C CA . GLU A 1 126 ? -15.265 0.460 9.169 1.00 98.91 126 A 1 ATOM 1063 C C . GLU A 1 126 ? -13.828 0.959 9.282 1.00 98.93 126 A 1 ATOM 1064 O O . GLU A 1 126 ? -13.475 1.626 10.259 1.00 98.86 126 A 1 ATOM 1065 C CB . GLU A 1 126 ? -15.403 -0.950 9.750 1.00 98.79 126 A 1 ATOM 1066 C CG . GLU A 1 126 ? -16.845 -1.360 10.016 1.00 96.60 126 A 1 ATOM 1067 C CD . GLU A 1 126 ? -16.981 -2.827 10.380 1.00 94.92 126 A 1 ATOM 1068 O OE1 . GLU A 1 126 ? -16.606 -3.680 9.550 1.00 89.89 126 A 1 ATOM 1069 O OE2 . GLU A 1 126 ? -17.464 -3.123 11.491 1.00 89.44 126 A 1 ATOM 1070 N N . VAL A 1 127 ? -12.988 0.646 8.293 1.00 98.95 127 A 1 ATOM 1071 C CA . VAL A 1 127 ? -11.635 1.197 8.264 1.00 98.95 127 A 1 ATOM 1072 C C . VAL A 1 127 ? -11.701 2.718 8.233 1.00 98.95 127 A 1 ATOM 1073 O O . VAL A 1 127 ? -10.994 3.402 8.984 1.00 98.89 127 A 1 ATOM 1074 C CB . VAL A 1 127 ? -10.843 0.662 7.056 1.00 98.90 127 A 1 ATOM 1075 C CG1 . VAL A 1 127 ? -9.492 1.365 6.949 1.00 98.74 127 A 1 ATOM 1076 C CG2 . VAL A 1 127 ? -10.653 -0.845 7.177 1.00 98.75 127 A 1 ATOM 1077 N N . GLN A 1 128 ? -12.553 3.245 7.368 1.00 98.95 128 A 1 ATOM 1078 C CA . GLN A 1 128 ? -12.713 4.694 7.273 1.00 98.93 128 A 1 ATOM 1079 C C . GLN A 1 128 ? -13.257 5.278 8.576 1.00 98.92 128 A 1 ATOM 1080 O O . GLN A 1 128 ? -12.851 6.364 9.000 1.00 98.83 128 A 1 ATOM 1081 C CB . GLN A 1 128 ? -13.631 5.043 6.101 1.00 98.86 128 A 1 ATOM 1082 C CG . GLN A 1 128 ? -13.046 4.717 4.735 1.00 98.20 128 A 1 ATOM 1083 C CD . GLN A 1 128 ? -14.026 4.965 3.610 1.00 97.17 128 A 1 ATOM 1084 O OE1 . GLN A 1 128 ? -15.136 4.437 3.610 1.00 88.61 128 A 1 ATOM 1085 N NE2 . GLN A 1 128 ? -13.625 5.780 2.642 1.00 86.91 128 A 1 ATOM 1086 N N . PHE A 1 129 ? -14.170 4.547 9.217 1.00 98.91 129 A 1 ATOM 1087 C CA . PHE A 1 129 ? -14.737 5.005 10.481 1.00 98.88 129 A 1 ATOM 1088 C C . PHE A 1 129 ? -13.659 5.113 11.558 1.00 98.87 129 A 1 ATOM 1089 O O . PHE A 1 129 ? -13.551 6.135 12.246 1.00 98.73 129 A 1 ATOM 1090 C CB . PHE A 1 129 ? -15.848 4.061 10.942 1.00 98.78 129 A 1 ATOM 1091 C CG . PHE A 1 129 ? -16.350 4.356 12.332 1.00 98.00 129 A 1 ATOM 1092 C CD1 . PHE A 1 129 ? -17.293 5.348 12.547 1.00 96.95 129 A 1 ATOM 1093 C CD2 . PHE A 1 129 ? -15.874 3.649 13.423 1.00 97.00 129 A 1 ATOM 1094 C CE1 . PHE A 1 129 ? -17.753 5.625 13.823 1.00 95.72 129 A 1 ATOM 1095 C CE2 . PHE A 1 129 ? -16.327 3.923 14.704 1.00 95.56 129 A 1 ATOM 1096 C CZ . PHE A 1 129 ? -17.271 4.912 14.904 1.00 95.10 129 A 1 ATOM 1097 N N . TYR A 1 130 ? -12.863 4.060 11.712 1.00 98.87 130 A 1 ATOM 1098 C CA . TYR A 1 130 ? -11.836 4.068 12.750 1.00 98.83 130 A 1 ATOM 1099 C C . TYR A 1 130 ? -10.698 5.019 12.408 1.00 98.77 130 A 1 ATOM 1100 O O . TYR A 1 130 ? -10.077 5.594 13.306 1.00 98.56 130 A 1 ATOM 1101 C CB . TYR A 1 130 ? -11.315 2.651 12.993 1.00 98.75 130 A 1 ATOM 1102 C CG . TYR A 1 130 ? -12.285 1.809 13.797 1.00 98.67 130 A 1 ATOM 1103 C CD1 . TYR A 1 130 ? -12.618 2.163 15.096 1.00 98.26 130 A 1 ATOM 1104 C CD2 . TYR A 1 130 ? -12.877 0.679 13.254 1.00 98.27 130 A 1 ATOM 1105 C CE1 . TYR A 1 130 ? -13.515 1.412 15.837 1.00 97.84 130 A 1 ATOM 1106 C CE2 . TYR A 1 130 ? -13.775 -0.079 13.989 1.00 97.80 130 A 1 ATOM 1107 C CZ . TYR A 1 130 ? -14.089 0.293 15.279 1.00 97.88 130 A 1 ATOM 1108 O OH . TYR A 1 130 ? -14.977 -0.453 16.018 1.00 96.82 130 A 1 ATOM 1109 N N . ALA A 1 131 ? -10.425 5.195 11.125 1.00 98.86 131 A 1 ATOM 1110 C CA . ALA A 1 131 ? -9.441 6.194 10.724 1.00 98.82 131 A 1 ATOM 1111 C C . ALA A 1 131 ? -9.872 7.573 11.209 1.00 98.76 131 A 1 ATOM 1112 O O . ALA A 1 131 ? -9.085 8.311 11.807 1.00 98.56 131 A 1 ATOM 1113 C CB . ALA A 1 131 ? -9.259 6.185 9.209 1.00 98.76 131 A 1 ATOM 1114 N N . ALA A 1 132 ? -11.129 7.909 10.970 1.00 98.81 132 A 1 ATOM 1115 C CA . ALA A 1 132 ? -11.649 9.195 11.422 1.00 98.72 132 A 1 ATOM 1116 C C . ALA A 1 132 ? -11.679 9.276 12.944 1.00 98.64 132 A 1 ATOM 1117 O O . ALA A 1 132 ? -11.365 10.319 13.525 1.00 98.22 132 A 1 ATOM 1118 C CB . ALA A 1 132 ? -13.042 9.429 10.843 1.00 98.60 132 A 1 ATOM 1119 N N . LEU A 1 133 ? -12.046 8.172 13.588 1.00 98.54 133 A 1 ATOM 1120 C CA . LEU A 1 133 ? -12.143 8.151 15.046 1.00 98.34 133 A 1 ATOM 1121 C C . LEU A 1 133 ? -10.795 8.434 15.699 1.00 98.29 133 A 1 ATOM 1122 O O . LEU A 1 133 ? -10.719 9.161 16.693 1.00 97.75 133 A 1 ATOM 1123 C CB . LEU A 1 133 ? -12.683 6.798 15.518 1.00 97.91 133 A 1 ATOM 1124 C CG . LEU A 1 133 ? -12.927 6.645 17.025 1.00 94.06 133 A 1 ATOM 1125 C CD1 . LEU A 1 133 ? -14.022 7.591 17.484 1.00 90.59 133 A 1 ATOM 1126 C CD2 . LEU A 1 133 ? -13.282 5.205 17.363 1.00 89.58 133 A 1 ATOM 1127 N N . PHE A 1 134 ? -9.729 7.868 15.137 1.00 98.50 134 A 1 ATOM 1128 C CA . PHE A 1 134 ? -8.390 8.034 15.696 1.00 98.37 134 A 1 ATOM 1129 C C . PHE A 1 134 ? -7.580 9.114 14.981 1.00 98.25 134 A 1 ATOM 1130 O O . PHE A 1 134 ? -6.375 9.240 15.206 1.00 97.62 134 A 1 ATOM 1131 C CB . PHE A 1 134 ? -7.648 6.694 15.671 1.00 98.27 134 A 1 ATOM 1132 C CG . PHE A 1 134 ? -8.249 5.651 16.582 1.00 98.26 134 A 1 ATOM 1133 C CD1 . PHE A 1 134 ? -8.214 5.819 17.956 1.00 97.68 134 A 1 ATOM 1134 C CD2 . PHE A 1 134 ? -8.847 4.516 16.067 1.00 97.77 134 A 1 ATOM 1135 C CE1 . PHE A 1 134 ? -8.769 4.870 18.804 1.00 97.23 134 A 1 ATOM 1136 C CE2 . PHE A 1 134 ? -9.403 3.563 16.909 1.00 97.27 134 A 1 ATOM 1137 C CZ . PHE A 1 134 ? -9.363 3.741 18.279 1.00 97.33 134 A 1 ATOM 1138 N N . ASP A 1 135 ? -8.246 9.891 14.134 1.00 98.44 135 A 1 ATOM 1139 C CA . ASP A 1 135 ? -7.637 11.035 13.454 1.00 98.24 135 A 1 ATOM 1140 C C . ASP A 1 135 ? -6.478 10.622 12.548 1.00 98.33 135 A 1 ATOM 1141 O O . ASP A 1 135 ? -5.383 11.199 12.597 1.00 97.65 135 A 1 ATOM 1142 C CB . ASP A 1 135 ? -7.183 12.093 14.463 1.00 97.48 135 A 1 ATOM 1143 C CG . ASP A 1 135 ? -6.943 13.449 13.822 1.00 91.83 135 A 1 ATOM 1144 O OD1 . ASP A 1 135 ? -7.484 13.697 12.726 1.00 88.97 135 A 1 ATOM 1145 O OD2 . ASP A 1 135 ? -6.218 14.268 14.424 1.00 86.27 135 A 1 ATOM 1146 N N . PHE A 1 136 ? -6.717 9.607 11.715 1.00 98.63 136 A 1 ATOM 1147 C CA . PHE A 1 136 ? -5.787 9.202 10.668 1.00 98.71 136 A 1 ATOM 1148 C C . PHE A 1 136 ? -6.462 9.336 9.312 1.00 98.76 136 A 1 ATOM 1149 O O . PHE A 1 136 ? -7.671 9.116 9.194 1.00 98.52 136 A 1 ATOM 1150 C CB . PHE A 1 136 ? -5.342 7.744 10.834 1.00 98.62 136 A 1 ATOM 1151 C CG . PHE A 1 136 ? -4.466 7.490 12.031 1.00 98.64 136 A 1 ATOM 1152 C CD1 . PHE A 1 136 ? -3.219 8.073 12.131 1.00 98.24 136 A 1 ATOM 1153 C CD2 . PHE A 1 136 ? -4.887 6.643 13.042 1.00 98.23 136 A 1 ATOM 1154 C CE1 . PHE A 1 136 ? -2.405 7.826 13.224 1.00 97.89 136 A 1 ATOM 1155 C CE2 . PHE A 1 136 ? -4.079 6.390 14.136 1.00 97.89 136 A 1 ATOM 1156 C CZ . PHE A 1 136 ? -2.837 6.984 14.230 1.00 98.02 136 A 1 ATOM 1157 N N . PRO A 1 137 ? -5.706 9.671 8.268 1.00 98.82 137 A 1 ATOM 1158 C CA . PRO A 1 137 ? -6.241 9.545 6.913 1.00 98.81 137 A 1 ATOM 1159 C C . PRO A 1 137 ? -6.152 8.099 6.451 1.00 98.87 137 A 1 ATOM 1160 O O . PRO A 1 137 ? -5.385 7.307 7.001 1.00 98.78 137 A 1 ATOM 1161 C CB . PRO A 1 137 ? -5.312 10.435 6.091 1.00 98.60 137 A 1 ATOM 1162 C CG . PRO A 1 137 ? -4.001 10.294 6.798 1.00 98.08 137 A 1 ATOM 1163 C CD . PRO A 1 137 ? -4.322 10.169 8.269 1.00 98.59 137 A 1 ATOM 1164 N N . CYS A 1 138 ? -6.945 7.752 5.441 1.00 98.86 138 A 1 ATOM 1165 C CA . CYS A 1 138 ? -6.840 6.455 4.791 1.00 98.88 138 A 1 ATOM 1166 C C . CYS A 1 138 ? -5.972 6.576 3.548 1.00 98.88 138 A 1 ATOM 1167 O O . CYS A 1 138 ? -5.807 7.662 2.989 1.00 98.70 138 A 1 ATOM 1168 C CB . CYS A 1 138 ? -8.222 5.925 4.401 1.00 98.79 138 A 1 ATOM 1169 S SG . CYS A 1 138 ? -9.243 5.402 5.785 1.00 98.38 138 A 1 ATOM 1170 N N . VAL A 1 139 ? -5.408 5.440 3.114 1.00 98.88 139 A 1 ATOM 1171 C CA . VAL A 1 139 ? -4.710 5.413 1.839 1.00 98.88 139 A 1 ATOM 1172 C C . VAL A 1 139 ? -5.667 5.866 0.738 1.00 98.90 139 A 1 ATOM 1173 O O . VAL A 1 139 ? -6.881 5.656 0.834 1.00 98.81 139 A 1 ATOM 1174 C CB . VAL A 1 139 ? -4.154 4.011 1.528 1.00 98.72 139 A 1 ATOM 1175 C CG1 . VAL A 1 139 ? -2.980 3.694 2.441 1.00 97.84 139 A 1 ATOM 1176 C CG2 . VAL A 1 139 ? -5.250 2.954 1.655 1.00 98.09 139 A 1 ATOM 1177 N N . PRO A 1 140 ? -5.152 6.511 -0.309 1.00 98.81 140 A 1 ATOM 1178 C CA . PRO A 1 140 ? -6.035 7.060 -1.346 1.00 98.77 140 A 1 ATOM 1179 C C . PRO A 1 140 ? -6.769 5.976 -2.123 1.00 98.80 140 A 1 ATOM 1180 O O . PRO A 1 140 ? -6.163 4.995 -2.553 1.00 98.66 140 A 1 ATOM 1181 C CB . PRO A 1 140 ? -5.078 7.827 -2.265 1.00 98.54 140 A 1 ATOM 1182 C CG . PRO A 1 140 ? -3.859 8.072 -1.434 1.00 97.67 140 A 1 ATOM 1183 C CD . PRO A 1 140 ? -3.749 6.889 -0.530 1.00 98.58 140 A 1 ATOM 1184 N N . GLU A 1 141 ? -8.071 6.161 -2.301 1.00 98.78 141 A 1 ATOM 1185 C CA . GLU A 1 141 ? -8.849 5.266 -3.142 1.00 98.73 141 A 1 ATOM 1186 C C . GLU A 1 141 ? -8.615 5.588 -4.611 1.00 98.61 141 A 1 ATOM 1187 O O . GLU A 1 141 ? -8.356 6.735 -4.986 1.00 98.20 141 A 1 ATOM 1188 C CB . GLU A 1 141 ? -10.343 5.369 -2.825 1.00 98.62 141 A 1 ATOM 1189 C CG . GLU A 1 141 ? -10.728 4.867 -1.445 1.00 97.25 141 A 1 ATOM 1190 C CD . GLU A 1 141 ? -12.229 4.888 -1.219 1.00 97.31 141 A 1 ATOM 1191 O OE1 . GLU A 1 141 ? -12.980 4.554 -2.157 1.00 93.75 141 A 1 ATOM 1192 O OE2 . GLU A 1 141 ? -12.655 5.242 -0.103 1.00 94.83 141 A 1 ATOM 1193 N N . ILE A 1 142 ? -8.708 4.548 -5.443 1.00 98.72 142 A 1 ATOM 1194 C CA . ILE A 1 142 ? -8.577 4.684 -6.885 1.00 98.65 142 A 1 ATOM 1195 C C . ILE A 1 142 ? -9.819 4.084 -7.520 1.00 98.63 142 A 1 ATOM 1196 O O . ILE A 1 142 ? -10.115 2.907 -7.314 1.00 98.38 142 A 1 ATOM 1197 C CB . ILE A 1 142 ? -7.318 3.978 -7.417 1.00 98.51 142 A 1 ATOM 1198 C CG1 . ILE A 1 142 ? -6.060 4.572 -6.780 1.00 97.89 142 A 1 ATOM 1199 C CG2 . ILE A 1 142 ? -7.254 4.067 -8.938 1.00 97.75 142 A 1 ATOM 1200 C CD1 . ILE A 1 142 ? -4.783 3.828 -7.134 1.00 97.04 142 A 1 ATOM 1201 N N . SER A 1 143 ? -10.545 4.881 -8.286 1.00 98.34 143 A 1 ATOM 1202 C CA . SER A 1 143 ? -11.711 4.368 -8.992 1.00 98.06 143 A 1 ATOM 1203 C C . SER A 1 143 ? -11.259 3.351 -10.029 1.00 98.07 143 A 1 ATOM 1204 O O . SER A 1 143 ? -10.391 3.638 -10.855 1.00 97.15 143 A 1 ATOM 1205 C CB . SER A 1 143 ? -12.474 5.506 -9.665 1.00 97.32 143 A 1 ATOM 1206 O OG . SER A 1 143 ? -13.017 6.389 -8.705 1.00 85.46 143 A 1 ATOM 1207 N N . GLY A 1 144 ? -11.841 2.153 -9.985 1.00 98.18 144 A 1 ATOM 1208 C CA . GLY A 1 144 ? -11.423 1.092 -10.872 1.00 98.20 144 A 1 ATOM 1209 C C . GLY A 1 144 ? -12.526 0.094 -11.139 1.00 98.47 144 A 1 ATOM 1210 O O . GLY A 1 144 ? -13.637 0.223 -10.620 1.00 98.13 144 A 1 ATOM 1211 N N . PRO A 1 145 ? -12.224 -0.925 -11.955 1.00 98.53 145 A 1 ATOM 1212 C CA . PRO A 1 145 ? -13.252 -1.879 -12.381 1.00 98.60 145 A 1 ATOM 1213 C C . PRO A 1 145 ? -13.764 -2.742 -11.234 1.00 98.71 145 A 1 ATOM 1214 O O . PRO A 1 145 ? -13.019 -3.092 -10.316 1.00 98.54 145 A 1 ATOM 1215 C CB . PRO A 1 145 ? -12.526 -2.726 -13.428 1.00 98.35 145 A 1 ATOM 1216 C CG . PRO A 1 145 ? -11.086 -2.629 -13.046 1.00 97.85 145 A 1 ATOM 1217 C CD . PRO A 1 145 ? -10.904 -1.233 -12.531 1.00 98.44 145 A 1 ATOM 1218 N N . GLN A 1 146 ? -15.041 -3.074 -11.308 1.00 98.57 146 A 1 ATOM 1219 C CA . GLN A 1 146 ? -15.687 -3.945 -10.345 1.00 98.56 146 A 1 ATOM 1220 C C . GLN A 1 146 ? -15.823 -5.350 -10.924 1.00 98.48 146 A 1 ATOM 1221 O O . GLN A 1 146 ? -15.714 -5.530 -12.137 1.00 97.77 146 A 1 ATOM 1222 C CB . GLN A 1 146 ? -17.060 -3.383 -9.968 1.00 98.30 146 A 1 ATOM 1223 C CG . GLN A 1 146 ? -16.989 -2.051 -9.234 1.00 97.85 146 A 1 ATOM 1224 C CD . GLN A 1 146 ? -16.299 -2.177 -7.892 1.00 98.18 146 A 1 ATOM 1225 O OE1 . GLN A 1 146 ? -16.424 -3.196 -7.206 1.00 94.31 146 A 1 ATOM 1226 N NE2 . GLN A 1 146 ? -15.552 -1.148 -7.506 1.00 95.14 146 A 1 ATOM 1227 N N . PRO A 1 147 ? -16.053 -6.355 -10.072 1.00 97.96 147 A 1 ATOM 1228 C CA . PRO A 1 147 ? -16.209 -7.720 -10.579 1.00 97.33 147 A 1 ATOM 1229 C C . PRO A 1 147 ? -17.280 -7.802 -11.655 1.00 96.64 147 A 1 ATOM 1230 O O . PRO A 1 147 ? -18.326 -7.152 -11.560 1.00 93.87 147 A 1 ATOM 1231 C CB . PRO A 1 147 ? -16.607 -8.518 -9.336 1.00 96.22 147 A 1 ATOM 1232 C CG . PRO A 1 147 ? -15.998 -7.761 -8.202 1.00 95.37 147 A 1 ATOM 1233 C CD . PRO A 1 147 ? -16.113 -6.312 -8.593 1.00 97.44 147 A 1 ATOM 1234 N N . GLY A 1 148 ? -17.000 -8.597 -12.683 1.00 95.95 148 A 1 ATOM 1235 C CA . GLY A 1 148 ? -17.925 -8.751 -13.787 1.00 94.87 148 A 1 ATOM 1236 C C . GLY A 1 148 ? -17.771 -10.109 -14.431 1.00 95.45 148 A 1 ATOM 1237 O O . GLY A 1 148 ? -17.363 -11.073 -13.783 1.00 91.91 148 A 1 ATOM 1238 N N . ASN A 1 149 ? -18.093 -10.185 -15.725 1.00 94.58 149 A 1 ATOM 1239 C CA . ASN A 1 149 ? -18.056 -11.451 -16.449 1.00 94.40 149 A 1 ATOM 1240 C C . ASN A 1 149 ? -17.023 -11.470 -17.567 1.00 95.30 149 A 1 ATOM 1241 O O . ASN A 1 149 ? -16.830 -12.508 -18.200 1.00 92.11 149 A 1 ATOM 1242 C CB . ASN A 1 149 ? -19.441 -11.764 -17.021 1.00 90.86 149 A 1 ATOM 1243 C CG . ASN A 1 149 ? -20.488 -11.946 -15.937 1.00 84.18 149 A 1 ATOM 1244 O OD1 . ASN A 1 149 ? -20.243 -12.602 -14.928 1.00 75.72 149 A 1 ATOM 1245 N ND2 . ASN A 1 149 ? -21.660 -11.360 -16.140 1.00 74.35 149 A 1 ATOM 1246 N N . ASP A 1 150 ? -16.347 -10.353 -17.811 1.00 96.29 150 A 1 ATOM 1247 C CA . ASP A 1 150 ? -15.378 -10.235 -18.895 1.00 97.21 150 A 1 ATOM 1248 C C . ASP A 1 150 ? -14.001 -9.975 -18.296 1.00 97.67 150 A 1 ATOM 1249 O O . ASP A 1 150 ? -13.655 -8.833 -17.982 1.00 97.25 150 A 1 ATOM 1250 C CB . ASP A 1 150 ? -15.786 -9.117 -19.851 1.00 96.27 150 A 1 ATOM 1251 C CG . ASP A 1 150 ? -14.934 -9.082 -21.111 1.00 95.37 150 A 1 ATOM 1252 O OD1 . ASP A 1 150 ? -13.824 -9.647 -21.116 1.00 92.95 150 A 1 ATOM 1253 O OD2 . ASP A 1 150 ? -15.387 -8.478 -22.107 1.00 91.18 150 A 1 ATOM 1254 N N . GLU A 1 151 ? -13.206 -11.042 -18.145 1.00 97.76 151 A 1 ATOM 1255 C CA . GLU A 1 151 ? -11.904 -10.922 -17.499 1.00 97.87 151 A 1 ATOM 1256 C C . GLU A 1 151 ? -10.948 -10.042 -18.299 1.00 97.99 151 A 1 ATOM 1257 O O . GLU A 1 151 ? -10.221 -9.227 -17.723 1.00 97.77 151 A 1 ATOM 1258 C CB . GLU A 1 151 ? -11.280 -12.305 -17.282 1.00 97.34 151 A 1 ATOM 1259 C CG . GLU A 1 151 ? -9.952 -12.260 -16.534 1.00 96.66 151 A 1 ATOM 1260 C CD . GLU A 1 151 ? -9.340 -13.631 -16.333 1.00 96.76 151 A 1 ATOM 1261 O OE1 . GLU A 1 151 ? -9.884 -14.614 -16.878 1.00 94.06 151 A 1 ATOM 1262 O OE2 . GLU A 1 151 ? -8.309 -13.730 -15.634 1.00 94.45 151 A 1 ATOM 1263 N N . LYS A 1 152 ? -10.934 -10.209 -19.618 1.00 97.58 152 A 1 ATOM 1264 C CA . LYS A 1 152 ? -10.017 -9.434 -20.445 1.00 97.33 152 A 1 ATOM 1265 C C . LYS A 1 152 ? -10.333 -7.944 -20.363 1.00 97.63 152 A 1 ATOM 1266 O O . LYS A 1 152 ? -9.427 -7.108 -20.269 1.00 97.22 152 A 1 ATOM 1267 C CB . LYS A 1 152 ? -10.073 -9.924 -21.890 1.00 96.47 152 A 1 ATOM 1268 C CG . LYS A 1 152 ? -9.491 -11.315 -22.096 1.00 84.21 152 A 1 ATOM 1269 C CD . LYS A 1 152 ? -7.994 -11.324 -21.862 1.00 78.17 152 A 1 ATOM 1270 C CE . LYS A 1 152 ? -7.388 -12.680 -22.218 1.00 67.41 152 A 1 ATOM 1271 N NZ . LYS A 1 152 ? -7.834 -13.761 -21.319 1.00 58.77 152 A 1 ATOM 1272 N N . SER A 1 153 ? -11.610 -7.605 -20.394 1.00 97.89 153 A 1 ATOM 1273 C CA . SER A 1 153 ? -12.016 -6.210 -20.270 1.00 97.97 153 A 1 ATOM 1274 C C . SER A 1 153 ? -11.661 -5.665 -18.890 1.00 98.25 153 A 1 ATOM 1275 O O . SER A 1 153 ? -11.188 -4.530 -18.761 1.00 98.00 153 A 1 ATOM 1276 C CB . SER A 1 153 ? -13.515 -6.069 -20.528 1.00 97.36 153 A 1 ATOM 1277 O OG . SER A 1 153 ? -13.937 -4.726 -20.378 1.00 84.58 153 A 1 ATOM 1278 N N . TRP A 1 154 ? -11.881 -6.490 -17.866 1.00 98.34 154 A 1 ATOM 1279 C CA . TRP A 1 154 ? -11.537 -6.087 -16.506 1.00 98.43 154 A 1 ATOM 1280 C C . TRP A 1 154 ? -10.045 -5.798 -16.393 1.00 98.44 154 A 1 ATOM 1281 O O . TRP A 1 154 ? -9.639 -4.782 -15.816 1.00 98.35 154 A 1 ATOM 1282 C CB . TRP A 1 154 ? -11.949 -7.176 -15.504 1.00 98.39 154 A 1 ATOM 1283 C CG . TRP A 1 154 ? -11.866 -6.747 -14.067 1.00 98.45 154 A 1 ATOM 1284 C CD1 . TRP A 1 154 ? -12.888 -6.297 -13.284 1.00 98.14 154 A 1 ATOM 1285 C CD2 . TRP A 1 154 ? -10.693 -6.730 -13.240 1.00 98.47 154 A 1 ATOM 1286 N NE1 . TRP A 1 154 ? -12.429 -6.002 -12.025 1.00 98.13 154 A 1 ATOM 1287 C CE2 . TRP A 1 154 ? -11.084 -6.255 -11.968 1.00 98.33 154 A 1 ATOM 1288 C CE3 . TRP A 1 154 ? -9.350 -7.073 -13.440 1.00 98.37 154 A 1 ATOM 1289 C CZ2 . TRP A 1 154 ? -10.180 -6.108 -10.912 1.00 98.13 154 A 1 ATOM 1290 C CZ3 . TRP A 1 154 ? -8.454 -6.923 -12.381 1.00 98.09 154 A 1 ATOM 1291 C CH2 . TRP A 1 154 ? -8.877 -6.447 -11.141 1.00 98.10 154 A 1 ATOM 1292 N N . GLN A 1 155 ? -9.219 -6.694 -16.951 1.00 98.26 155 A 1 ATOM 1293 C CA . GLN A 1 155 ? -7.772 -6.509 -16.906 1.00 98.17 155 A 1 ATOM 1294 C C . GLN A 1 155 ? -7.357 -5.216 -17.601 1.00 98.19 155 A 1 ATOM 1295 O O . GLN A 1 155 ? -6.509 -4.479 -17.090 1.00 98.00 155 A 1 ATOM 1296 C CB . GLN A 1 155 ? -7.056 -7.699 -17.547 1.00 97.63 155 A 1 ATOM 1297 C CG . GLN A 1 155 ? -7.046 -8.961 -16.697 1.00 88.73 155 A 1 ATOM 1298 C CD . GLN A 1 155 ? -6.193 -10.057 -17.303 1.00 87.63 155 A 1 ATOM 1299 O OE1 . GLN A 1 155 ? -5.509 -9.847 -18.305 1.00 80.09 155 A 1 ATOM 1300 N NE2 . GLN A 1 155 ? -6.218 -11.237 -16.694 1.00 77.50 155 A 1 ATOM 1301 N N . ARG A 1 156 ? -7.934 -4.938 -18.766 1.00 98.04 156 A 1 ATOM 1302 C CA . ARG A 1 156 ? -7.594 -3.714 -19.490 1.00 97.87 156 A 1 ATOM 1303 C C . ARG A 1 156 ? -7.923 -2.482 -18.653 1.00 97.93 156 A 1 ATOM 1304 O O . ARG A 1 156 ? -7.110 -1.560 -18.541 1.00 97.67 156 A 1 ATOM 1305 C CB . ARG A 1 156 ? -8.333 -3.657 -20.830 1.00 97.39 156 A 1 ATOM 1306 C CG . ARG A 1 156 ? -7.791 -4.591 -21.891 1.00 91.18 156 A 1 ATOM 1307 C CD . ARG A 1 156 ? -8.349 -4.224 -23.260 1.00 89.34 156 A 1 ATOM 1308 N NE . ARG A 1 156 ? -9.807 -4.279 -23.307 1.00 83.12 156 A 1 ATOM 1309 C CZ . ARG A 1 156 ? -10.511 -5.359 -23.626 1.00 78.88 156 A 1 ATOM 1310 N NH1 . ARG A 1 156 ? -9.893 -6.490 -23.938 1.00 69.54 156 A 1 ATOM 1311 N NH2 . ARG A 1 156 ? -11.836 -5.309 -23.638 1.00 71.95 156 A 1 ATOM 1312 N N . ASP A 1 157 ? -9.102 -2.471 -18.057 1.00 98.23 157 A 1 ATOM 1313 C CA . ASP A 1 157 ? -9.511 -1.333 -17.243 1.00 98.15 157 A 1 ATOM 1314 C C . ASP A 1 157 ? -8.627 -1.198 -16.009 1.00 98.23 157 A 1 ATOM 1315 O O . ASP A 1 157 ? -8.276 -0.084 -15.607 1.00 98.00 157 A 1 ATOM 1316 C CB . ASP A 1 157 ? -10.978 -1.475 -16.827 1.00 97.91 157 A 1 ATOM 1317 C CG . ASP A 1 157 ? -11.937 -1.324 -17.995 1.00 97.08 157 A 1 ATOM 1318 O OD1 . ASP A 1 157 ? -11.522 -0.794 -19.046 1.00 95.41 157 A 1 ATOM 1319 O OD2 . ASP A 1 157 ? -13.109 -1.733 -17.858 1.00 94.95 157 A 1 ATOM 1320 N N . PHE A 1 158 ? -8.247 -2.333 -15.407 1.00 98.34 158 A 1 ATOM 1321 C CA . PHE A 1 158 ? -7.390 -2.278 -14.226 1.00 98.40 158 A 1 ATOM 1322 C C . PHE A 1 158 ? -5.992 -1.789 -14.584 1.00 98.28 158 A 1 ATOM 1323 O O . PHE A 1 158 ? -5.429 -0.930 -13.900 1.00 97.96 158 A 1 ATOM 1324 C CB . PHE A 1 158 ? -7.304 -3.645 -13.548 1.00 98.39 158 A 1 ATOM 1325 C CG . PHE A 1 158 ? -6.453 -3.637 -12.307 1.00 98.53 158 A 1 ATOM 1326 C CD1 . PHE A 1 158 ? -7.011 -3.358 -11.071 1.00 98.29 158 A 1 ATOM 1327 C CD2 . PHE A 1 158 ? -5.090 -3.885 -12.380 1.00 98.28 158 A 1 ATOM 1328 C CE1 . PHE A 1 158 ? -6.228 -3.332 -9.931 1.00 98.12 158 A 1 ATOM 1329 C CE2 . PHE A 1 158 ? -4.299 -3.856 -11.242 1.00 98.10 158 A 1 ATOM 1330 C CZ . PHE A 1 158 ? -4.871 -3.581 -10.015 1.00 98.25 158 A 1 ATOM 1331 N N . LEU A 1 159 ? -5.414 -2.337 -15.653 1.00 98.15 159 A 1 ATOM 1332 C CA . LEU A 1 159 ? -4.051 -1.968 -16.029 1.00 97.81 159 A 1 ATOM 1333 C C . LEU A 1 159 ? -3.951 -0.493 -16.395 1.00 97.50 159 A 1 ATOM 1334 O O . LEU A 1 159 ? -2.888 0.115 -16.235 1.00 96.73 159 A 1 ATOM 1335 C CB . LEU A 1 159 ? -3.571 -2.846 -17.186 1.00 97.39 159 A 1 ATOM 1336 C CG . LEU A 1 159 ? -3.245 -4.293 -16.803 1.00 96.09 159 A 1 ATOM 1337 C CD1 . LEU A 1 159 ? -3.023 -5.151 -18.036 1.00 94.69 159 A 1 ATOM 1338 C CD2 . LEU A 1 159 ? -2.027 -4.338 -15.890 1.00 94.06 159 A 1 ATOM 1339 N N . ALA A 1 160 ? -5.039 0.088 -16.873 1.00 97.69 160 A 1 ATOM 1340 C CA . ALA A 1 160 ? -5.045 1.514 -17.176 1.00 97.31 160 A 1 ATOM 1341 C C . ALA A 1 160 ? -4.806 2.347 -15.919 1.00 97.16 160 A 1 ATOM 1342 O O . ALA A 1 160 ? -4.250 3.447 -15.998 1.00 96.15 160 A 1 ATOM 1343 C CB . ALA A 1 160 ? -6.367 1.909 -17.831 1.00 96.85 160 A 1 ATOM 1344 N N . LEU A 1 161 ? -5.200 1.823 -14.762 1.00 97.70 161 A 1 ATOM 1345 C CA . LEU A 1 161 ? -5.006 2.539 -13.504 1.00 97.46 161 A 1 ATOM 1346 C C . LEU A 1 161 ? -3.533 2.663 -13.141 1.00 97.13 161 A 1 ATOM 1347 O O . LEU A 1 161 ? -3.134 3.621 -12.470 1.00 96.09 161 A 1 ATOM 1348 C CB . LEU A 1 161 ? -5.741 1.830 -12.363 1.00 97.31 161 A 1 ATOM 1349 C CG . LEU A 1 161 ? -7.226 1.519 -12.550 1.00 96.91 161 A 1 ATOM 1350 C CD1 . LEU A 1 161 ? -7.752 0.750 -11.344 1.00 96.08 161 A 1 ATOM 1351 C CD2 . LEU A 1 161 ? -8.018 2.797 -12.768 1.00 95.63 161 A 1 ATOM 1352 N N . ALA A 1 162 ? -2.720 1.698 -13.576 1.00 96.81 162 A 1 ATOM 1353 C CA . ALA A 1 162 ? -1.324 1.641 -13.165 1.00 96.08 162 A 1 ATOM 1354 C C . ALA A 1 162 ? -0.480 2.737 -13.797 1.00 95.82 162 A 1 ATOM 1355 O O . ALA A 1 162 ? 0.643 2.986 -13.349 1.00 93.83 162 A 1 ATOM 1356 C CB . ALA A 1 162 ? -0.733 0.270 -13.500 1.00 94.83 162 A 1 ATOM 1357 N N . ASN A 1 163 ? -0.996 3.391 -14.832 1.00 95.24 163 A 1 ATOM 1358 C CA . ASN A 1 163 ? -0.270 4.473 -15.484 1.00 93.92 163 A 1 ATOM 1359 C C . ASN A 1 163 ? -0.455 5.805 -14.772 1.00 94.09 163 A 1 ATOM 1360 O O . ASN A 1 163 ? 0.132 6.811 -15.182 1.00 90.85 163 A 1 ATOM 1361 C CB . ASN A 1 163 ? -0.719 4.602 -16.943 1.00 91.20 163 A 1 ATOM 1362 C CG . ASN A 1 163 ? -0.375 3.382 -17.770 1.00 84.25 163 A 1 ATOM 1363 O OD1 . ASN A 1 163 ? 0.688 2.784 -17.600 1.00 76.05 163 A 1 ATOM 1364 N ND2 . ASN A 1 163 ? -1.269 3.005 -18.670 1.00 74.40 163 A 1 ATOM 1365 N N . ALA A 1 164 ? -1.250 5.823 -13.716 1.00 94.43 164 A 1 ATOM 1366 C CA . ALA A 1 164 ? -1.539 7.064 -13.018 1.00 94.44 164 A 1 ATOM 1367 C C . ALA A 1 164 ? -0.291 7.633 -12.351 1.00 95.10 164 A 1 ATOM 1368 O O . ALA A 1 164 ? 0.641 6.910 -11.992 1.00 93.72 164 A 1 ATOM 1369 C CB . ALA A 1 164 ? -2.634 6.843 -11.976 1.00 92.72 164 A 1 ATOM 1370 N N . ARG A 1 165 ? -0.293 8.940 -12.184 1.00 94.19 165 A 1 ATOM 1371 C CA . ARG A 1 165 ? 0.845 9.646 -11.596 1.00 93.47 165 A 1 ATOM 1372 C C . ARG A 1 165 ? 1.045 9.271 -10.134 1.00 93.49 165 A 1 ATOM 1373 O O . ARG A 1 165 ? 2.176 9.149 -9.666 1.00 87.83 165 A 1 ATOM 1374 C CB . ARG A 1 165 ? 0.629 11.153 -11.720 1.00 89.47 165 A 1 ATOM 1375 C CG . ARG A 1 165 ? 1.737 12.005 -11.112 1.00 82.17 165 A 1 ATOM 1376 C CD . ARG A 1 165 ? 3.004 11.952 -11.944 1.00 80.93 165 A 1 ATOM 1377 N NE . ARG A 1 165 ? 4.014 12.885 -11.429 1.00 82.53 165 A 1 ATOM 1378 C CZ . ARG A 1 165 ? 4.886 12.595 -10.475 1.00 81.75 165 A 1 ATOM 1379 N NH1 . ARG A 1 165 ? 4.896 11.393 -9.932 1.00 74.39 165 A 1 ATOM 1380 N NH2 . ARG A 1 165 ? 5.750 13.515 -10.057 1.00 74.21 165 A 1 ATOM 1381 N N . GLY A 1 166 ? -0.037 9.067 -9.419 1.00 95.01 166 A 1 ATOM 1382 C CA . GLY A 1 166 ? 0.023 8.870 -7.983 1.00 95.69 166 A 1 ATOM 1383 C C . GLY A 1 166 ? -0.478 10.104 -7.259 1.00 96.68 166 A 1 ATOM 1384 O O . GLY A 1 166 ? -0.299 11.231 -7.722 1.00 95.06 166 A 1 ATOM 1385 N N . THR A 1 167 ? -1.082 9.890 -6.101 1.00 97.35 167 A 1 ATOM 1386 C CA . THR A 1 167 ? -1.754 10.975 -5.396 1.00 97.50 167 A 1 ATOM 1387 C C . THR A 1 167 ? -0.788 12.016 -4.838 1.00 97.72 167 A 1 ATOM 1388 O O . THR A 1 167 ? -1.096 13.209 -4.823 1.00 96.81 167 A 1 ATOM 1389 C CB . THR A 1 167 ? -2.616 10.410 -4.258 1.00 96.87 167 A 1 ATOM 1390 O OG1 . THR A 1 167 ? -3.543 9.463 -4.783 1.00 91.71 167 A 1 ATOM 1391 C CG2 . THR A 1 167 ? -3.381 11.522 -3.550 1.00 91.77 167 A 1 ATOM 1392 N N . PHE A 1 168 ? 0.381 11.575 -4.402 1.00 98.17 168 A 1 ATOM 1393 C CA . PHE A 1 168 ? 1.249 12.432 -3.600 1.00 98.18 168 A 1 ATOM 1394 C C . PHE A 1 168 ? 2.530 12.863 -4.314 1.00 97.98 168 A 1 ATOM 1395 O O . PHE A 1 168 ? 3.564 13.070 -3.672 1.00 97.37 168 A 1 ATOM 1396 C CB . PHE A 1 168 ? 1.583 11.735 -2.277 1.00 98.22 168 A 1 ATOM 1397 C CG . PHE A 1 168 ? 0.373 11.404 -1.443 1.00 98.40 168 A 1 ATOM 1398 C CD1 . PHE A 1 168 ? -0.543 12.389 -1.105 1.00 98.08 168 A 1 ATOM 1399 C CD2 . PHE A 1 168 ? 0.156 10.114 -0.991 1.00 98.12 168 A 1 ATOM 1400 C CE1 . PHE A 1 168 ? -1.660 12.091 -0.335 1.00 97.84 168 A 1 ATOM 1401 C CE2 . PHE A 1 168 ? -0.956 9.811 -0.216 1.00 97.78 168 A 1 ATOM 1402 C CZ . PHE A 1 168 ? -1.867 10.800 0.111 1.00 98.00 168 A 1 ATOM 1403 N N . ASP A 1 169 ? 2.456 13.023 -5.640 1.00 97.51 169 A 1 ATOM 1404 C CA . ASP A 1 169 ? 3.589 13.514 -6.429 1.00 97.29 169 A 1 ATOM 1405 C C . ASP A 1 169 ? 4.848 12.681 -6.168 1.00 97.53 169 A 1 ATOM 1406 O O . ASP A 1 169 ? 5.839 13.184 -5.621 1.00 97.26 169 A 1 ATOM 1407 C CB . ASP A 1 169 ? 3.846 14.995 -6.137 1.00 96.56 169 A 1 ATOM 1408 C CG . ASP A 1 169 ? 4.882 15.612 -7.068 1.00 95.76 169 A 1 ATOM 1409 O OD1 . ASP A 1 169 ? 5.144 15.034 -8.146 1.00 94.56 169 A 1 ATOM 1410 O OD2 . ASP A 1 169 ? 5.431 16.680 -6.719 1.00 93.49 169 A 1 ATOM 1411 N N . PRO A 1 170 ? 4.841 11.392 -6.551 1.00 97.73 170 A 1 ATOM 1412 C CA . PRO A 1 170 ? 5.977 10.507 -6.272 1.00 97.60 170 A 1 ATOM 1413 C C . PRO A 1 170 ? 7.189 10.789 -7.155 1.00 97.18 170 A 1 ATOM 1414 O O . PRO A 1 170 ? 7.054 11.039 -8.355 1.00 96.49 170 A 1 ATOM 1415 C CB . PRO A 1 170 ? 5.411 9.113 -6.557 1.00 97.34 170 A 1 ATOM 1416 C CG . PRO A 1 170 ? 4.331 9.353 -7.563 1.00 96.35 170 A 1 ATOM 1417 C CD . PRO A 1 170 ? 3.724 10.681 -7.195 1.00 97.40 170 A 1 ATOM 1418 N N . TRP A 1 171 ? 8.371 10.721 -6.539 1.00 97.25 171 A 1 ATOM 1419 C CA . TRP A 1 171 ? 9.646 10.855 -7.238 1.00 96.93 171 A 1 ATOM 1420 C C . TRP A 1 171 ? 10.519 9.656 -6.891 1.00 96.65 171 A 1 ATOM 1421 O O . TRP A 1 171 ? 10.633 9.283 -5.720 1.00 95.86 171 A 1 ATOM 1422 C CB . TRP A 1 171 ? 10.361 12.153 -6.839 1.00 96.67 171 A 1 ATOM 1423 C CG . TRP A 1 171 ? 9.754 13.403 -7.414 1.00 96.33 171 A 1 ATOM 1424 C CD1 . TRP A 1 171 ? 8.478 13.855 -7.253 1.00 94.36 171 A 1 ATOM 1425 C CD2 . TRP A 1 171 ? 10.413 14.373 -8.248 1.00 95.86 171 A 1 ATOM 1426 N NE1 . TRP A 1 171 ? 8.294 15.033 -7.929 1.00 94.33 171 A 1 ATOM 1427 C CE2 . TRP A 1 171 ? 9.470 15.380 -8.547 1.00 95.23 171 A 1 ATOM 1428 C CE3 . TRP A 1 171 ? 11.711 14.488 -8.768 1.00 94.41 171 A 1 ATOM 1429 C CZ2 . TRP A 1 171 ? 9.783 16.482 -9.343 1.00 94.09 171 A 1 ATOM 1430 C CZ3 . TRP A 1 171 ? 12.017 15.585 -9.558 1.00 92.51 171 A 1 ATOM 1431 C CH2 . TRP A 1 171 ? 11.059 16.566 -9.838 1.00 93.04 171 A 1 ATOM 1432 N N . ASP A 1 172 ? 11.150 9.059 -7.895 1.00 95.59 172 A 1 ATOM 1433 C CA . ASP A 1 172 ? 12.021 7.910 -7.686 1.00 94.75 172 A 1 ATOM 1434 C C . ASP A 1 172 ? 13.333 8.356 -7.051 1.00 94.56 172 A 1 ATOM 1435 O O . ASP A 1 172 ? 13.967 9.307 -7.516 1.00 93.79 172 A 1 ATOM 1436 C CB . ASP A 1 172 ? 12.286 7.203 -9.014 1.00 93.59 172 A 1 ATOM 1437 C CG . ASP A 1 172 ? 13.146 5.964 -8.852 1.00 91.36 172 A 1 ATOM 1438 O OD1 . ASP A 1 172 ? 12.591 4.892 -8.543 1.00 87.14 172 A 1 ATOM 1439 O OD2 . ASP A 1 172 ? 14.376 6.066 -9.038 1.00 85.45 172 A 1 ATOM 1440 N N . THR A 1 173 ? 13.758 7.665 -5.983 1.00 94.10 173 A 1 ATOM 1441 C CA . THR A 1 173 ? 14.950 8.082 -5.250 1.00 93.52 173 A 1 ATOM 1442 C C . THR A 1 173 ? 16.246 7.596 -5.886 1.00 92.53 173 A 1 ATOM 1443 O O . THR A 1 173 ? 17.329 7.985 -5.439 1.00 90.00 173 A 1 ATOM 1444 C CB . THR A 1 173 ? 14.903 7.605 -3.788 1.00 93.04 173 A 1 ATOM 1445 O OG1 . THR A 1 173 ? 14.792 6.180 -3.751 1.00 89.58 173 A 1 ATOM 1446 C CG2 . THR A 1 173 ? 13.726 8.240 -3.059 1.00 89.72 173 A 1 ATOM 1447 N N . GLN A 1 174 ? 16.165 6.743 -6.918 1.00 91.82 174 A 1 ATOM 1448 C CA . GLN A 1 174 ? 17.365 6.336 -7.646 1.00 90.50 174 A 1 ATOM 1449 C C . GLN A 1 174 ? 17.701 7.343 -8.743 1.00 91.04 174 A 1 ATOM 1450 O O . GLN A 1 174 ? 18.858 7.738 -8.903 1.00 89.08 174 A 1 ATOM 1451 C CB . GLN A 1 174 ? 17.186 4.942 -8.252 1.00 88.02 174 A 1 ATOM 1452 C CG . GLN A 1 174 ? 17.144 3.812 -7.234 1.00 79.97 174 A 1 ATOM 1453 C CD . GLN A 1 174 ? 17.016 2.445 -7.882 1.00 71.95 174 A 1 ATOM 1454 O OE1 . GLN A 1 174 ? 16.275 2.271 -8.850 1.00 64.69 174 A 1 ATOM 1455 N NE2 . GLN A 1 174 ? 17.746 1.465 -7.355 1.00 62.27 174 A 1 ATOM 1456 N N . THR A 1 175 ? 16.691 7.745 -9.501 1.00 92.43 175 A 1 ATOM 1457 C CA . THR A 1 175 ? 16.895 8.672 -10.610 1.00 92.37 175 A 1 ATOM 1458 C C . THR A 1 175 ? 16.571 10.113 -10.243 1.00 92.84 175 A 1 ATOM 1459 O O . THR A 1 175 ? 16.970 11.039 -10.953 1.00 91.62 175 A 1 ATOM 1460 C CB . THR A 1 175 ? 16.028 8.276 -11.809 1.00 91.47 175 A 1 ATOM 1461 O OG1 . THR A 1 175 ? 14.641 8.386 -11.454 1.00 88.26 175 A 1 ATOM 1462 C CG2 . THR A 1 175 ? 16.320 6.842 -12.237 1.00 86.96 175 A 1 ATOM 1463 N N . TRP A 1 176 ? 15.853 10.300 -9.141 1.00 93.06 176 A 1 ATOM 1464 C CA . TRP A 1 176 ? 15.369 11.608 -8.711 1.00 93.00 176 A 1 ATOM 1465 C C . TRP A 1 176 ? 14.556 12.288 -9.811 1.00 94.02 176 A 1 ATOM 1466 O O . TRP A 1 176 ? 14.676 13.489 -10.060 1.00 92.48 176 A 1 ATOM 1467 C CB . TRP A 1 176 ? 16.524 12.483 -8.217 1.00 90.90 176 A 1 ATOM 1468 C CG . TRP A 1 176 ? 17.119 11.934 -6.953 1.00 85.72 176 A 1 ATOM 1469 C CD1 . TRP A 1 176 ? 18.337 11.340 -6.796 1.00 79.20 176 A 1 ATOM 1470 C CD2 . TRP A 1 176 ? 16.480 11.883 -5.665 1.00 83.04 176 A 1 ATOM 1471 N NE1 . TRP A 1 176 ? 18.514 10.941 -5.492 1.00 77.55 176 A 1 ATOM 1472 C CE2 . TRP A 1 176 ? 17.392 11.263 -4.773 1.00 79.74 176 A 1 ATOM 1473 C CE3 . TRP A 1 176 ? 15.239 12.312 -5.177 1.00 73.72 176 A 1 ATOM 1474 C CZ2 . TRP A 1 176 ? 17.100 11.064 -3.423 1.00 75.04 176 A 1 ATOM 1475 C CZ3 . TRP A 1 176 ? 14.953 12.104 -3.832 1.00 71.69 176 A 1 ATOM 1476 C CH2 . TRP A 1 176 ? 15.877 11.494 -2.972 1.00 71.63 176 A 1 ATOM 1477 N N . GLN A 1 177 ? 13.725 11.479 -10.455 1.00 94.82 177 A 1 ATOM 1478 C CA . GLN A 1 177 ? 12.794 11.948 -11.465 1.00 95.40 177 A 1 ATOM 1479 C C . GLN A 1 177 ? 11.375 11.588 -11.040 1.00 96.02 177 A 1 ATOM 1480 O O . GLN A 1 177 ? 11.176 10.643 -10.273 1.00 95.75 177 A 1 ATOM 1481 C CB . GLN A 1 177 ? 13.096 11.325 -12.827 1.00 94.89 177 A 1 ATOM 1482 C CG . GLN A 1 177 ? 14.482 11.651 -13.371 1.00 91.27 177 A 1 ATOM 1483 C CD . GLN A 1 177 ? 14.656 13.131 -13.658 1.00 85.78 177 A 1 ATOM 1484 O OE1 . GLN A 1 177 ? 13.748 13.786 -14.178 1.00 77.05 177 A 1 ATOM 1485 N NE2 . GLN A 1 177 ? 15.818 13.667 -13.314 1.00 74.56 177 A 1 ATOM 1486 N N . PRO A 1 178 ? 10.380 12.329 -11.520 1.00 96.31 178 A 1 ATOM 1487 C CA . PRO A 1 178 ? 8.994 11.952 -11.234 1.00 96.11 178 A 1 ATOM 1488 C C . PRO A 1 178 ? 8.701 10.545 -11.736 1.00 95.65 178 A 1 ATOM 1489 O O . PRO A 1 178 ? 9.230 10.124 -12.766 1.00 94.45 178 A 1 ATOM 1490 C CB . PRO A 1 178 ? 8.174 12.997 -12.005 1.00 95.48 178 A 1 ATOM 1491 C CG . PRO A 1 178 ? 9.100 14.157 -12.174 1.00 93.62 178 A 1 ATOM 1492 C CD . PRO A 1 178 ? 10.470 13.564 -12.318 1.00 95.91 178 A 1 ATOM 1493 N N . CYS A 1 179 ? 7.869 9.811 -11.005 1.00 95.98 179 A 1 ATOM 1494 C CA . CYS A 1 179 ? 7.535 8.446 -11.387 1.00 95.41 179 A 1 ATOM 1495 C C . CYS A 1 179 ? 6.055 8.183 -11.149 1.00 95.64 179 A 1 ATOM 1496 O O . CYS A 1 179 ? 5.337 9.024 -10.603 1.00 95.33 179 A 1 ATOM 1497 C CB . CYS A 1 179 ? 8.389 7.431 -10.609 1.00 94.53 179 A 1 ATOM 1498 S SG . CYS A 1 179 ? 8.094 7.412 -8.823 1.00 94.32 179 A 1 ATOM 1499 N N . THR A 1 180 ? 5.605 7.002 -11.582 1.00 95.09 180 A 1 ATOM 1500 C CA . THR A 1 180 ? 4.226 6.597 -11.371 1.00 95.32 180 A 1 ATOM 1501 C C . THR A 1 180 ? 4.030 6.111 -9.944 1.00 95.92 180 A 1 ATOM 1502 O O . THR A 1 180 ? 4.988 5.955 -9.177 1.00 95.30 180 A 1 ATOM 1503 C CB . THR A 1 180 ? 3.829 5.473 -12.334 1.00 93.91 180 A 1 ATOM 1504 O OG1 . THR A 1 180 ? 4.622 4.309 -12.055 1.00 88.85 180 A 1 ATOM 1505 C CG2 . THR A 1 180 ? 4.036 5.899 -13.783 1.00 89.21 180 A 1 ATOM 1506 N N . LEU A 1 181 ? 2.789 5.874 -9.577 1.00 96.23 181 A 1 ATOM 1507 C CA . LEU A 1 181 ? 2.486 5.233 -8.305 1.00 96.44 181 A 1 ATOM 1508 C C . LEU A 1 181 ? 3.195 3.879 -8.222 1.00 96.47 181 A 1 ATOM 1509 O O . LEU A 1 181 ? 3.464 3.239 -9.242 1.00 95.30 181 A 1 ATOM 1510 C CB . LEU A 1 181 ? 0.969 5.068 -8.124 1.00 95.17 181 A 1 ATOM 1511 C CG . LEU A 1 181 ? 0.228 3.954 -8.879 1.00 94.72 181 A 1 ATOM 1512 C CD1 . LEU A 1 181 ? -1.227 3.912 -8.438 1.00 92.40 181 A 1 ATOM 1513 C CD2 . LEU A 1 181 ? 0.324 4.116 -10.390 1.00 92.08 181 A 1 ATOM 1514 N N . GLU A 1 182 ? 3.510 3.435 -6.997 1.00 96.56 182 A 1 ATOM 1515 C CA . GLU A 1 182 ? 4.198 2.157 -6.820 1.00 96.16 182 A 1 ATOM 1516 C C . GLU A 1 182 ? 3.337 0.998 -7.293 1.00 96.11 182 A 1 ATOM 1517 O O . GLU A 1 182 ? 3.826 0.051 -7.917 1.00 95.35 182 A 1 ATOM 1518 C CB . GLU A 1 182 ? 4.577 1.940 -5.351 1.00 95.01 182 A 1 ATOM 1519 C CG . GLU A 1 182 ? 5.199 0.568 -5.087 1.00 92.12 182 A 1 ATOM 1520 C CD . GLU A 1 182 ? 5.252 0.202 -3.615 1.00 89.71 182 A 1 ATOM 1521 O OE1 . GLU A 1 182 ? 5.498 1.100 -2.788 1.00 85.34 182 A 1 ATOM 1522 O OE2 . GLU A 1 182 ? 5.049 -0.986 -3.288 1.00 84.34 182 A 1 ATOM 1523 N N . GLY A 1 183 ? 2.064 1.056 -6.986 1.00 96.98 183 A 1 ATOM 1524 C CA . GLY A 1 183 ? 1.179 -0.037 -7.311 1.00 97.06 183 A 1 ATOM 1525 C C . GLY A 1 183 ? -0.213 0.205 -6.783 1.00 97.73 183 A 1 ATOM 1526 O O . GLY A 1 183 ? -0.551 1.310 -6.337 1.00 97.69 183 A 1 ATOM 1527 N N . ILE A 1 184 ? -1.019 -0.848 -6.835 1.00 97.89 184 A 1 ATOM 1528 C CA . ILE A 1 184 ? -2.424 -0.779 -6.463 1.00 98.24 184 A 1 ATOM 1529 C C . ILE A 1 184 ? -2.761 -1.992 -5.610 1.00 98.22 184 A 1 ATOM 1530 O O . ILE A 1 184 ? -2.360 -3.114 -5.925 1.00 98.08 184 A 1 ATOM 1531 C CB . ILE A 1 184 ? -3.336 -0.752 -7.710 1.00 98.36 184 A 1 ATOM 1532 C CG1 . ILE A 1 184 ? -2.992 0.444 -8.604 1.00 97.85 184 A 1 ATOM 1533 C CG2 . ILE A 1 184 ? -4.809 -0.716 -7.302 1.00 98.07 184 A 1 ATOM 1534 C CD1 . ILE A 1 184 ? -3.609 0.366 -9.985 1.00 96.02 184 A 1 ATOM 1535 N N . VAL A 1 185 ? -3.484 -1.763 -4.529 1.00 98.41 185 A 1 ATOM 1536 C CA . VAL A 1 185 ? -4.022 -2.837 -3.708 1.00 98.51 185 A 1 ATOM 1537 C C . VAL A 1 185 ? -5.529 -2.867 -3.906 1.00 98.71 185 A 1 ATOM 1538 O O . VAL A 1 185 ? -6.195 -1.833 -3.811 1.00 98.70 185 A 1 ATOM 1539 C CB . VAL A 1 185 ? -3.685 -2.644 -2.217 1.00 98.22 185 A 1 ATOM 1540 C CG1 . VAL A 1 185 ? -4.355 -3.730 -1.372 1.00 97.49 185 A 1 ATOM 1541 C CG2 . VAL A 1 185 ? -2.178 -2.664 -2.014 1.00 97.60 185 A 1 ATOM 1542 N N . SER A 1 186 ? -6.062 -4.054 -4.197 1.00 98.79 186 A 1 ATOM 1543 C CA . SER A 1 186 ? -7.501 -4.245 -4.313 1.00 98.79 186 A 1 ATOM 1544 C C . SER A 1 186 ? -7.959 -5.146 -3.182 1.00 98.75 186 A 1 ATOM 1545 O O . SER A 1 186 ? -7.316 -6.155 -2.885 1.00 98.52 186 A 1 ATOM 1546 C CB . SER A 1 186 ? -7.873 -4.873 -5.658 1.00 98.73 186 A 1 ATOM 1547 O OG . SER A 1 186 ? -7.325 -4.142 -6.742 1.00 98.39 186 A 1 ATOM 1548 N N . ARG A 1 187 ? -9.073 -4.794 -2.542 1.00 98.75 187 A 1 ATOM 1549 C CA . ARG A 1 187 ? -9.607 -5.605 -1.463 1.00 98.73 187 A 1 ATOM 1550 C C . ARG A 1 187 ? -11.130 -5.651 -1.524 1.00 98.82 187 A 1 ATOM 1551 O O . ARG A 1 187 ? -11.770 -4.786 -2.124 1.00 98.65 187 A 1 ATOM 1552 C CB . ARG A 1 187 ? -9.178 -5.071 -0.090 1.00 97.97 187 A 1 ATOM 1553 C CG . ARG A 1 187 ? -9.633 -3.650 0.205 1.00 95.79 187 A 1 ATOM 1554 C CD . ARG A 1 187 ? -9.727 -3.409 1.714 1.00 95.28 187 A 1 ATOM 1555 N NE . ARG A 1 187 ? -10.886 -4.066 2.302 1.00 94.24 187 A 1 ATOM 1556 C CZ . ARG A 1 187 ? -11.077 -4.244 3.607 1.00 95.61 187 A 1 ATOM 1557 N NH1 . ARG A 1 187 ? -10.173 -3.820 4.478 1.00 88.66 187 A 1 ATOM 1558 N NH2 . ARG A 1 187 ? -12.170 -4.859 4.048 1.00 89.45 187 A 1 ATOM 1559 N N . ASN A 1 188 ? -11.669 -6.679 -0.907 1.00 98.84 188 A 1 ATOM 1560 C CA . ASN A 1 188 ? -13.104 -6.762 -0.699 1.00 98.86 188 A 1 ATOM 1561 C C . ASN A 1 188 ? -13.559 -5.561 0.129 1.00 98.85 188 A 1 ATOM 1562 O O . ASN A 1 188 ? -12.979 -5.261 1.177 1.00 98.70 188 A 1 ATOM 1563 C CB . ASN A 1 188 ? -13.443 -8.070 0.017 1.00 98.80 188 A 1 ATOM 1564 C CG . ASN A 1 188 ? -14.931 -8.376 0.024 1.00 98.75 188 A 1 ATOM 1565 O OD1 . ASN A 1 188 ? -15.768 -7.507 -0.225 1.00 97.66 188 A 1 ATOM 1566 N ND2 . ASN A 1 188 ? -15.267 -9.628 0.318 1.00 97.26 188 A 1 ATOM 1567 N N . HIS A 1 189 ? -14.588 -4.869 -0.352 1.00 98.88 189 A 1 ATOM 1568 C CA . HIS A 1 189 ? -15.152 -3.744 0.392 1.00 98.86 189 A 1 ATOM 1569 C C . HIS A 1 189 ? -15.755 -4.206 1.715 1.00 98.88 189 A 1 ATOM 1570 O O . HIS A 1 189 ? -15.706 -3.477 2.713 1.00 98.73 189 A 1 ATOM 1571 C CB . HIS A 1 189 ? -16.208 -3.039 -0.466 1.00 98.61 189 A 1 ATOM 1572 C CG . HIS A 1 189 ? -16.846 -1.856 0.198 1.00 97.08 189 A 1 ATOM 1573 N ND1 . HIS A 1 189 ? -17.885 -1.976 1.090 1.00 88.66 189 A 1 ATOM 1574 C CD2 . HIS A 1 189 ? -16.605 -0.533 0.080 1.00 88.75 189 A 1 ATOM 1575 C CE1 . HIS A 1 189 ? -18.253 -0.773 1.507 1.00 88.97 189 A 1 ATOM 1576 N NE2 . HIS A 1 189 ? -17.491 0.117 0.901 1.00 91.08 189 A 1 ATOM 1577 N N . ASP A 1 190 ? -16.308 -5.411 1.719 1.00 98.88 190 A 1 ATOM 1578 C CA . ASP A 1 190 ? -16.945 -5.954 2.911 1.00 98.82 190 A 1 ATOM 1579 C C . ASP A 1 190 ? -15.913 -6.534 3.875 1.00 98.84 190 A 1 ATOM 1580 O O . ASP A 1 190 ? -14.742 -6.721 3.540 1.00 98.61 190 A 1 ATOM 1581 C CB . ASP A 1 190 ? -17.958 -7.037 2.525 1.00 98.57 190 A 1 ATOM 1582 C CG . ASP A 1 190 ? -19.119 -6.495 1.716 1.00 96.50 190 A 1 ATOM 1583 O OD1 . ASP A 1 190 ? -19.403 -5.283 1.810 1.00 93.86 190 A 1 ATOM 1584 O OD2 . ASP A 1 190 ? -19.756 -7.285 0.988 1.00 91.95 190 A 1 ATOM 1585 N N . ALA A 1 191 ? -16.359 -6.821 5.088 1.00 98.82 191 A 1 ATOM 1586 C CA . ALA A 1 191 ? -15.523 -7.511 6.055 1.00 98.80 191 A 1 ATOM 1587 C C . ALA A 1 191 ? -15.312 -8.958 5.622 1.00 98.72 191 A 1 ATOM 1588 O O . ALA A 1 191 ? -16.140 -9.534 4.915 1.00 98.41 191 A 1 ATOM 1589 C CB . ALA A 1 191 ? -16.160 -7.460 7.442 1.00 98.69 191 A 1 ATOM 1590 N N . PHE A 1 192 ? -14.202 -9.552 6.040 1.00 98.42 192 A 1 ATOM 1591 C CA . PHE A 1 192 ? -13.931 -10.949 5.725 1.00 98.08 192 A 1 ATOM 1592 C C . PHE A 1 192 ? -13.060 -11.572 6.808 1.00 97.88 192 A 1 ATOM 1593 O O . PHE A 1 192 ? -12.340 -10.881 7.532 1.00 97.51 192 A 1 ATOM 1594 C CB . PHE A 1 192 ? -13.274 -11.098 4.342 1.00 97.86 192 A 1 ATOM 1595 C CG . PHE A 1 192 ? -12.052 -10.236 4.140 1.00 98.04 192 A 1 ATOM 1596 C CD1 . PHE A 1 192 ? -10.789 -10.708 4.462 1.00 97.77 192 A 1 ATOM 1597 C CD2 . PHE A 1 192 ? -12.169 -8.958 3.610 1.00 97.72 192 A 1 ATOM 1598 C CE1 . PHE A 1 192 ? -9.665 -9.920 4.271 1.00 97.39 192 A 1 ATOM 1599 C CE2 . PHE A 1 192 ? -11.047 -8.162 3.418 1.00 97.43 192 A 1 ATOM 1600 C CZ . PHE A 1 192 ? -9.794 -8.646 3.749 1.00 97.49 192 A 1 ATOM 1601 N N . SER A 1 193 ? -13.132 -12.896 6.902 1.00 97.02 193 A 1 ATOM 1602 C CA . SER A 1 193 ? -12.379 -13.629 7.910 1.00 96.65 193 A 1 ATOM 1603 C C . SER A 1 193 ? -10.878 -13.543 7.653 1.00 96.28 193 A 1 ATOM 1604 O O . SER A 1 193 ? -10.435 -13.483 6.503 1.00 95.75 193 A 1 ATOM 1605 C CB . SER A 1 193 ? -12.812 -15.094 7.928 1.00 96.21 193 A 1 ATOM 1606 O OG . SER A 1 193 ? -11.949 -15.880 8.732 1.00 86.98 193 A 1 ATOM 1607 N N . VAL A 1 194 ? -10.092 -13.550 8.728 1.00 95.77 194 A 1 ATOM 1608 C CA . VAL A 1 194 ? -8.639 -13.556 8.577 1.00 95.15 194 A 1 ATOM 1609 C C . VAL A 1 194 ? -8.172 -14.785 7.808 1.00 94.96 194 A 1 ATOM 1610 O O . VAL A 1 194 ? -7.136 -14.743 7.142 1.00 94.46 194 A 1 ATOM 1611 C CB . VAL A 1 194 ? -7.932 -13.494 9.950 1.00 94.07 194 A 1 ATOM 1612 C CG1 . VAL A 1 194 ? -8.220 -12.165 10.639 1.00 89.97 194 A 1 ATOM 1613 C CG2 . VAL A 1 194 ? -8.353 -14.666 10.830 1.00 90.57 194 A 1 ATOM 1614 N N . ALA A 1 195 ? -8.931 -15.869 7.874 1.00 94.39 195 A 1 ATOM 1615 C CA . ALA A 1 195 ? -8.568 -17.089 7.161 1.00 94.21 195 A 1 ATOM 1616 C C . ALA A 1 195 ? -8.715 -16.936 5.652 1.00 94.46 195 A 1 ATOM 1617 O O . ALA A 1 195 ? -8.113 -17.701 4.893 1.00 93.87 195 A 1 ATOM 1618 C CB . ALA A 1 195 ? -9.418 -18.263 7.651 1.00 93.62 195 A 1 ATOM 1619 N N . ASP A 1 196 ? -9.491 -15.955 5.207 1.00 95.73 196 A 1 ATOM 1620 C CA . ASP A 1 196 ? -9.769 -15.758 3.789 1.00 96.18 196 A 1 ATOM 1621 C C . ASP A 1 196 ? -9.013 -14.567 3.210 1.00 96.78 196 A 1 ATOM 1622 O O . ASP A 1 196 ? -9.364 -14.068 2.136 1.00 96.85 196 A 1 ATOM 1623 C CB . ASP A 1 196 ? -11.277 -15.582 3.565 1.00 95.99 196 A 1 ATOM 1624 C CG . ASP A 1 196 ? -12.072 -16.810 3.953 1.00 94.15 196 A 1 ATOM 1625 O OD1 . ASP A 1 196 ? -11.555 -17.932 3.779 1.00 90.52 196 A 1 ATOM 1626 O OD2 . ASP A 1 196 ? -13.216 -16.656 4.428 1.00 89.65 196 A 1 ATOM 1627 N N . PHE A 1 197 ? -7.974 -14.116 3.897 1.00 96.04 197 A 1 ATOM 1628 C CA . PHE A 1 197 ? -7.231 -12.926 3.478 1.00 96.15 197 A 1 ATOM 1629 C C . PHE A 1 197 ? -6.743 -13.026 2.035 1.00 96.63 197 A 1 ATOM 1630 O O . PHE A 1 197 ? -6.915 -12.093 1.248 1.00 96.72 197 A 1 ATOM 1631 C CB . PHE A 1 197 ? -6.050 -12.692 4.423 1.00 95.65 197 A 1 ATOM 1632 C CG . PHE A 1 197 ? -5.222 -11.477 4.091 1.00 95.50 197 A 1 ATOM 1633 C CD1 . PHE A 1 197 ? -5.587 -10.225 4.561 1.00 94.81 197 A 1 ATOM 1634 C CD2 . PHE A 1 197 ? -4.075 -11.589 3.321 1.00 94.68 197 A 1 ATOM 1635 C CE1 . PHE A 1 197 ? -4.825 -9.105 4.269 1.00 93.71 197 A 1 ATOM 1636 C CE2 . PHE A 1 197 ? -3.307 -10.472 3.019 1.00 93.71 197 A 1 ATOM 1637 C CZ . PHE A 1 197 ? -3.684 -9.228 3.495 1.00 93.78 197 A 1 ATOM 1638 N N . SER A 1 198 ? -6.140 -14.154 1.677 1.00 95.79 198 A 1 ATOM 1639 C CA . SER A 1 198 ? -5.534 -14.297 0.355 1.00 95.84 198 A 1 ATOM 1640 C C . SER A 1 198 ? -6.565 -14.293 -0.766 1.00 96.71 198 A 1 ATOM 1641 O O . SER A 1 198 ? -6.209 -14.088 -1.927 1.00 96.60 198 A 1 ATOM 1642 C CB . SER A 1 198 ? -4.697 -15.579 0.284 1.00 94.53 198 A 1 ATOM 1643 O OG . SER A 1 198 ? -5.508 -16.731 0.413 1.00 87.66 198 A 1 ATOM 1644 N N . HIS A 1 199 ? -7.825 -14.517 -0.435 1.00 96.93 199 A 1 ATOM 1645 C CA . HIS A 1 199 ? -8.889 -14.511 -1.432 1.00 97.32 199 A 1 ATOM 1646 C C . HIS A 1 199 ? -9.628 -13.179 -1.488 1.00 97.94 199 A 1 ATOM 1647 O O . HIS A 1 199 ? -10.555 -13.024 -2.290 1.00 97.94 199 A 1 ATOM 1648 C CB . HIS A 1 199 ? -9.890 -15.635 -1.150 1.00 96.88 199 A 1 ATOM 1649 C CG . HIS A 1 199 ? -9.272 -17.001 -1.103 1.00 95.87 199 A 1 ATOM 1650 N ND1 . HIS A 1 199 ? -8.793 -17.636 -2.227 1.00 90.20 199 A 1 ATOM 1651 C CD2 . HIS A 1 199 ? -9.052 -17.848 -0.078 1.00 89.73 199 A 1 ATOM 1652 C CE1 . HIS A 1 199 ? -8.304 -18.816 -1.892 1.00 90.30 199 A 1 ATOM 1653 N NE2 . HIS A 1 199 ? -8.450 -18.973 -0.593 1.00 91.17 199 A 1 ATOM 1654 N N . ASN A 1 200 ? -9.239 -12.233 -0.648 1.00 97.77 200 A 1 ATOM 1655 C CA . ASN A 1 200 ? -9.948 -10.963 -0.551 1.00 98.19 200 A 1 ATOM 1656 C C . ASN A 1 200 ? -9.047 -9.746 -0.704 1.00 98.33 200 A 1 ATOM 1657 O O . ASN A 1 200 ? -9.545 -8.618 -0.693 1.00 98.22 200 A 1 ATOM 1658 C CB . ASN A 1 200 ? -10.703 -10.881 0.781 1.00 98.32 200 A 1 ATOM 1659 C CG . ASN A 1 200 ? -11.927 -11.765 0.817 1.00 98.29 200 A 1 ATOM 1660 O OD1 . ASN A 1 200 ? -13.012 -11.358 0.400 1.00 94.20 200 A 1 ATOM 1661 N ND2 . ASN A 1 200 ? -11.763 -12.984 1.309 1.00 94.41 200 A 1 ATOM 1662 N N . VAL A 1 201 ? -7.741 -9.953 -0.828 1.00 98.21 201 A 1 ATOM 1663 C CA . VAL A 1 201 ? -6.801 -8.851 -1.004 1.00 98.14 201 A 1 ATOM 1664 C C . VAL A 1 201 ? -5.819 -9.230 -2.102 1.00 97.98 201 A 1 ATOM 1665 O O . VAL A 1 201 ? -5.299 -10.348 -2.124 1.00 97.55 201 A 1 ATOM 1666 C CB . VAL A 1 201 ? -6.044 -8.510 0.299 1.00 97.84 201 A 1 ATOM 1667 C CG1 . VAL A 1 201 ? -5.249 -7.222 0.125 1.00 96.78 201 A 1 ATOM 1668 C CG2 . VAL A 1 201 ? -7.013 -8.377 1.468 1.00 96.99 201 A 1 ATOM 1669 N N . PHE A 1 202 ? -5.571 -8.299 -3.019 1.00 98.27 202 A 1 ATOM 1670 C CA . PHE A 1 202 ? -4.722 -8.524 -4.182 1.00 98.37 202 A 1 ATOM 1671 C C . PHE A 1 202 ? -3.873 -7.286 -4.406 1.00 98.33 202 A 1 ATOM 1672 O O . PHE A 1 202 ? -4.256 -6.184 -4.013 1.00 98.17 202 A 1 ATOM 1673 C CB . PHE A 1 202 ? -5.559 -8.803 -5.443 1.00 98.39 202 A 1 ATOM 1674 C CG . PHE A 1 202 ? -6.764 -9.669 -5.200 1.00 98.40 202 A 1 ATOM 1675 C CD1 . PHE A 1 202 ? -6.715 -11.031 -5.447 1.00 97.92 202 A 1 ATOM 1676 C CD2 . PHE A 1 202 ? -7.946 -9.123 -4.723 1.00 97.91 202 A 1 ATOM 1677 C CE1 . PHE A 1 202 ? -7.821 -11.833 -5.224 1.00 97.38 202 A 1 ATOM 1678 C CE2 . PHE A 1 202 ? -9.058 -9.923 -4.492 1.00 97.45 202 A 1 ATOM 1679 C CZ . PHE A 1 202 ? -8.994 -11.280 -4.745 1.00 97.60 202 A 1 ATOM 1680 N N . LYS A 1 203 ? -2.722 -7.454 -5.056 1.00 97.48 203 A 1 ATOM 1681 C CA . LYS A 1 203 ? -1.897 -6.290 -5.343 1.00 97.00 203 A 1 ATOM 1682 C C . LYS A 1 203 ? -1.255 -6.358 -6.715 1.00 97.29 203 A 1 ATOM 1683 O O . LYS A 1 203 ? -0.989 -7.434 -7.259 1.00 97.06 203 A 1 ATOM 1684 C CB . LYS A 1 203 ? -0.813 -6.088 -4.273 1.00 95.15 203 A 1 ATOM 1685 C CG . LYS A 1 203 ? 0.328 -7.087 -4.308 1.00 92.95 203 A 1 ATOM 1686 C CD . LYS A 1 203 ? 1.345 -6.780 -3.209 1.00 91.36 203 A 1 ATOM 1687 C CE . LYS A 1 203 ? 2.457 -7.808 -3.166 1.00 87.81 203 A 1 ATOM 1688 N NZ . LYS A 1 203 ? 3.395 -7.583 -2.030 1.00 85.09 203 A 1 ATOM 1689 N N . TYR A 1 204 ? -1.029 -5.179 -7.248 1.00 97.31 204 A 1 ATOM 1690 C CA . TYR A 1 204 ? -0.281 -4.960 -8.472 1.00 97.21 204 A 1 ATOM 1691 C C . TYR A 1 204 ? 0.879 -4.050 -8.112 1.00 96.86 204 A 1 ATOM 1692 O O . TYR A 1 204 ? 0.672 -3.001 -7.495 1.00 96.37 204 A 1 ATOM 1693 C CB . TYR A 1 204 ? -1.172 -4.311 -9.535 1.00 97.11 204 A 1 ATOM 1694 C CG . TYR A 1 204 ? -0.450 -3.877 -10.798 1.00 97.11 204 A 1 ATOM 1695 C CD1 . TYR A 1 204 ? -0.478 -4.668 -11.941 1.00 96.42 204 A 1 ATOM 1696 C CD2 . TYR A 1 204 ? 0.235 -2.669 -10.859 1.00 96.42 204 A 1 ATOM 1697 C CE1 . TYR A 1 204 ? 0.157 -4.273 -13.105 1.00 95.71 204 A 1 ATOM 1698 C CE2 . TYR A 1 204 ? 0.886 -2.267 -12.016 1.00 95.67 204 A 1 ATOM 1699 C CZ . TYR A 1 204 ? 0.843 -3.072 -13.136 1.00 95.73 204 A 1 ATOM 1700 O OH . TYR A 1 204 ? 1.482 -2.677 -14.286 1.00 94.62 204 A 1 ATOM 1701 N N . VAL A 1 205 ? 2.100 -4.442 -8.478 1.00 96.26 205 A 1 ATOM 1702 C CA . VAL A 1 205 ? 3.282 -3.630 -8.218 1.00 95.55 205 A 1 ATOM 1703 C C . VAL A 1 205 ? 3.944 -3.315 -9.547 1.00 95.33 205 A 1 ATOM 1704 O O . VAL A 1 205 ? 4.127 -4.202 -10.385 1.00 94.70 205 A 1 ATOM 1705 C CB . VAL A 1 205 ? 4.274 -4.345 -7.274 1.00 94.69 205 A 1 ATOM 1706 C CG1 . VAL A 1 205 ? 5.521 -3.494 -7.065 1.00 93.19 205 A 1 ATOM 1707 C CG2 . VAL A 1 205 ? 3.600 -4.638 -5.940 1.00 93.64 205 A 1 ATOM 1708 N N . ARG A 1 206 ? 4.301 -2.066 -9.740 1.00 94.96 206 A 1 ATOM 1709 C CA . ARG A 1 206 ? 4.862 -1.621 -11.002 1.00 93.96 206 A 1 ATOM 1710 C C . ARG A 1 206 ? 6.199 -2.300 -11.288 1.00 93.14 206 A 1 ATOM 1711 O O . ARG A 1 206 ? 6.910 -2.757 -10.383 1.00 91.63 206 A 1 ATOM 1712 C CB . ARG A 1 206 ? 5.064 -0.104 -10.995 1.00 92.00 206 A 1 ATOM 1713 C CG . ARG A 1 206 ? 6.268 0.344 -10.186 1.00 90.10 206 A 1 ATOM 1714 C CD . ARG A 1 206 ? 6.380 1.863 -10.126 1.00 89.57 206 A 1 ATOM 1715 N NE . ARG A 1 206 ? 7.598 2.285 -9.439 1.00 88.42 206 A 1 ATOM 1716 C CZ . ARG A 1 206 ? 7.834 3.525 -9.015 1.00 88.79 206 A 1 ATOM 1717 N NH1 . ARG A 1 206 ? 6.927 4.472 -9.201 1.00 82.83 206 A 1 ATOM 1718 N NH2 . ARG A 1 206 ? 8.974 3.818 -8.410 1.00 83.60 206 A 1 ATOM 1719 N N . LYS A 1 207 ? 6.539 -2.353 -12.559 1.00 90.32 207 A 1 ATOM 1720 C CA . LYS A 1 207 ? 7.826 -2.880 -12.987 1.00 87.66 207 A 1 ATOM 1721 C C . LYS A 1 207 ? 8.961 -2.045 -12.399 1.00 84.36 207 A 1 ATOM 1722 O O . LYS A 1 207 ? 8.875 -0.817 -12.337 1.00 73.95 207 A 1 ATOM 1723 C CB . LYS A 1 207 ? 7.896 -2.878 -14.514 1.00 83.63 207 A 1 ATOM 1724 C CG . LYS A 1 207 ? 9.159 -3.471 -15.110 1.00 76.37 207 A 1 ATOM 1725 C CD . LYS A 1 207 ? 9.104 -3.399 -16.627 1.00 71.91 207 A 1 ATOM 1726 C CE . LYS A 1 207 ? 10.357 -3.953 -17.276 1.00 61.93 207 A 1 ATOM 1727 N NZ . LYS A 1 207 ? 10.299 -3.852 -18.759 1.00 54.25 207 A 1 ATOM 1728 N N . ASN A 1 208 ? 10.012 -2.735 -11.951 1.00 78.59 208 A 1 ATOM 1729 C CA . ASN A 1 208 ? 11.243 -2.101 -11.471 1.00 76.22 208 A 1 ATOM 1730 C C . ASN A 1 208 ? 11.110 -1.352 -10.152 1.00 77.25 208 A 1 ATOM 1731 O O . ASN A 1 208 ? 12.016 -0.606 -9.779 1.00 71.22 208 A 1 ATOM 1732 C CB . ASN A 1 208 ? 11.830 -1.159 -12.526 1.00 69.53 208 A 1 ATOM 1733 C CG . ASN A 1 208 ? 12.444 -1.904 -13.691 1.00 63.79 208 A 1 ATOM 1734 O OD1 . ASN A 1 208 ? 12.881 -3.047 -13.558 1.00 57.19 208 A 1 ATOM 1735 N ND2 . ASN A 1 208 ? 12.485 -1.252 -14.849 1.00 55.76 208 A 1 ATOM 1736 N N . HIS A 1 209 ? 10.025 -1.542 -9.417 1.00 75.41 209 A 1 ATOM 1737 C CA . HIS A 1 209 ? 9.984 -0.990 -8.070 1.00 74.06 209 A 1 ATOM 1738 C C . HIS A 1 209 ? 10.997 -1.730 -7.213 1.00 75.18 209 A 1 ATOM 1739 O O . HIS A 1 209 ? 11.035 -2.957 -7.201 1.00 72.60 209 A 1 ATOM 1740 C CB . HIS A 1 209 ? 8.600 -1.102 -7.435 1.00 72.44 209 A 1 ATOM 1741 C CG . HIS A 1 209 ? 8.571 -0.645 -6.003 1.00 70.06 209 A 1 ATOM 1742 N ND1 . HIS A 1 209 ? 8.792 0.669 -5.642 1.00 66.03 209 A 1 ATOM 1743 C CD2 . HIS A 1 209 ? 8.376 -1.323 -4.848 1.00 63.52 209 A 1 ATOM 1744 C CE1 . HIS A 1 209 ? 8.723 0.780 -4.327 1.00 62.94 209 A 1 ATOM 1745 N NE2 . HIS A 1 209 ? 8.473 -0.415 -3.821 1.00 65.49 209 A 1 ATOM 1746 N N . VAL A 1 210 ? 11.825 -0.978 -6.499 1.00 75.88 210 A 1 ATOM 1747 C CA . VAL A 1 210 ? 12.916 -1.560 -5.728 1.00 74.25 210 A 1 ATOM 1748 C C . VAL A 1 210 ? 12.685 -1.361 -4.242 1.00 75.90 210 A 1 ATOM 1749 O O . VAL A 1 210 ? 12.031 -0.408 -3.811 1.00 70.08 210 A 1 ATOM 1750 C CB . VAL A 1 210 ? 14.280 -0.950 -6.123 1.00 66.10 210 A 1 ATOM 1751 C CG1 . VAL A 1 210 ? 14.589 -1.250 -7.580 1.00 58.35 210 A 1 ATOM 1752 C CG2 . VAL A 1 210 ? 14.293 0.549 -5.867 1.00 60.90 210 A 1 ATOM 1753 N N . LYS A 1 211 ? 13.233 -2.283 -3.457 1.00 75.33 211 A 1 ATOM 1754 C CA . LYS A 1 211 ? 13.239 -2.121 -2.013 1.00 74.27 211 A 1 ATOM 1755 C C . LYS A 1 211 ? 14.327 -1.129 -1.623 1.00 76.57 211 A 1 ATOM 1756 O O . LYS A 1 211 ? 15.161 -0.737 -2.437 1.00 70.83 211 A 1 ATOM 1757 C CB . LYS A 1 211 ? 13.472 -3.464 -1.324 1.00 65.72 211 A 1 ATOM 1758 C CG . LYS A 1 211 ? 12.417 -4.520 -1.623 1.00 57.84 211 A 1 ATOM 1759 C CD . LYS A 1 211 ? 12.789 -5.865 -1.008 1.00 53.16 211 A 1 ATOM 1760 C CE . LYS A 1 211 ? 14.061 -6.420 -1.607 1.00 46.61 211 A 1 ATOM 1761 N NZ . LYS A 1 211 ? 14.408 -7.766 -1.074 1.00 43.14 211 A 1 ATOM 1762 N N . THR A 1 212 ? 14.318 -0.728 -0.353 1.00 75.12 212 A 1 ATOM 1763 C CA . THR A 1 212 ? 15.349 0.179 0.133 1.00 75.47 212 A 1 ATOM 1764 C C . THR A 1 212 ? 16.711 -0.511 0.105 1.00 77.20 212 A 1 ATOM 1765 O O . THR A 1 212 ? 16.813 -1.735 0.192 1.00 74.38 212 A 1 ATOM 1766 C CB . THR A 1 212 ? 15.033 0.660 1.553 1.00 71.43 212 A 1 ATOM 1767 O OG1 . THR A 1 212 ? 14.813 -0.468 2.407 1.00 68.30 212 A 1 ATOM 1768 C CG2 . THR A 1 212 ? 13.779 1.532 1.544 1.00 65.49 212 A 1 ATOM 1769 N N . THR A 1 213 ? 17.778 0.286 -0.019 1.00 76.62 213 A 1 ATOM 1770 C CA . THR A 1 213 ? 19.124 -0.258 -0.136 1.00 76.46 213 A 1 ATOM 1771 C C . THR A 1 213 ? 19.646 -0.734 1.214 1.00 78.94 213 A 1 ATOM 1772 O O . THR A 1 213 ? 19.033 -0.503 2.260 1.00 75.71 213 A 1 ATOM 1773 C CB . THR A 1 213 ? 20.092 0.790 -0.704 1.00 70.61 213 A 1 ATOM 1774 O OG1 . THR A 1 213 ? 20.270 1.836 0.259 1.00 64.94 213 A 1 ATOM 1775 C CG2 . THR A 1 213 ? 19.558 1.373 -2.006 1.00 65.03 213 A 1 ATOM 1776 N N . VAL A 1 214 ? 20.805 -1.394 1.181 1.00 79.35 214 A 1 ATOM 1777 C CA . VAL A 1 214 ? 21.422 -1.903 2.402 1.00 80.34 214 A 1 ATOM 1778 C C . VAL A 1 214 ? 21.833 -0.765 3.331 1.00 82.56 214 A 1 ATOM 1779 O O . VAL A 1 214 ? 21.981 -0.964 4.537 1.00 78.79 214 A 1 ATOM 1780 C CB . VAL A 1 214 ? 22.636 -2.798 2.066 1.00 76.21 214 A 1 ATOM 1781 C CG1 . VAL A 1 214 ? 23.740 -1.976 1.413 1.00 66.64 214 A 1 ATOM 1782 C CG2 . VAL A 1 214 ? 23.147 -3.512 3.311 1.00 68.51 214 A 1 ATOM 1783 N N . HIS A 1 215 ? 22.003 0.425 2.780 1.00 86.12 215 A 1 ATOM 1784 C CA . HIS A 1 215 ? 22.433 1.579 3.559 1.00 87.60 215 A 1 ATOM 1785 C C . HIS A 1 215 ? 21.269 2.417 4.080 1.00 90.17 215 A 1 ATOM 1786 O O . HIS A 1 215 ? 21.489 3.426 4.760 1.00 87.51 215 A 1 ATOM 1787 C CB . HIS A 1 215 ? 23.357 2.470 2.723 1.00 82.85 215 A 1 ATOM 1788 C CG . HIS A 1 215 ? 24.557 1.754 2.176 1.00 74.29 215 A 1 ATOM 1789 N ND1 . HIS A 1 215 ? 25.606 1.341 2.970 1.00 66.00 215 A 1 ATOM 1790 C CD2 . HIS A 1 215 ? 24.877 1.385 0.918 1.00 63.29 215 A 1 ATOM 1791 C CE1 . HIS A 1 215 ? 26.517 0.741 2.224 1.00 60.50 215 A 1 ATOM 1792 N NE2 . HIS A 1 215 ? 26.103 0.756 0.973 1.00 60.98 215 A 1 ATOM 1793 N N . TRP A 1 216 ? 20.035 1.996 3.789 1.00 90.15 216 A 1 ATOM 1794 C CA . TRP A 1 216 ? 18.881 2.842 4.092 1.00 91.91 216 A 1 ATOM 1795 C C . TRP A 1 216 ? 18.749 3.152 5.583 1.00 92.32 216 A 1 ATOM 1796 O O . TRP A 1 216 ? 18.513 4.303 5.962 1.00 91.47 216 A 1 ATOM 1797 C CB . TRP A 1 216 ? 17.590 2.193 3.574 1.00 91.86 216 A 1 ATOM 1798 C CG . TRP A 1 216 ? 16.380 3.054 3.790 1.00 92.21 216 A 1 ATOM 1799 C CD1 . TRP A 1 216 ? 15.904 4.028 2.963 1.00 91.70 216 A 1 ATOM 1800 C CD2 . TRP A 1 216 ? 15.500 3.033 4.925 1.00 94.03 216 A 1 ATOM 1801 N NE1 . TRP A 1 216 ? 14.784 4.608 3.504 1.00 91.86 216 A 1 ATOM 1802 C CE2 . TRP A 1 216 ? 14.512 4.017 4.708 1.00 93.93 216 A 1 ATOM 1803 C CE3 . TRP A 1 216 ? 15.446 2.267 6.098 1.00 93.41 216 A 1 ATOM 1804 C CZ2 . TRP A 1 216 ? 13.483 4.261 5.622 1.00 93.39 216 A 1 ATOM 1805 C CZ3 . TRP A 1 216 ? 14.421 2.519 7.005 1.00 93.08 216 A 1 ATOM 1806 C CH2 . TRP A 1 216 ? 13.457 3.504 6.761 1.00 93.35 216 A 1 ATOM 1807 N N . LYS A 1 217 ? 18.904 2.145 6.430 1.00 92.14 217 A 1 ATOM 1808 C CA . LYS A 1 217 ? 18.722 2.352 7.867 1.00 91.49 217 A 1 ATOM 1809 C C . LYS A 1 217 ? 19.723 3.358 8.432 1.00 92.01 217 A 1 ATOM 1810 O O . LYS A 1 217 ? 19.471 3.979 9.467 1.00 90.33 217 A 1 ATOM 1811 C CB . LYS A 1 217 ? 18.828 1.023 8.619 1.00 89.27 217 A 1 ATOM 1812 C CG . LYS A 1 217 ? 17.637 0.099 8.419 1.00 84.53 217 A 1 ATOM 1813 C CD . LYS A 1 217 ? 17.733 -1.140 9.291 1.00 81.18 217 A 1 ATOM 1814 C CE . LYS A 1 217 ? 16.513 -2.033 9.131 1.00 74.65 217 A 1 ATOM 1815 N NZ . LYS A 1 217 ? 16.594 -3.252 9.981 1.00 66.59 217 A 1 ATOM 1816 N N . ARG A 1 218 ? 20.853 3.510 7.756 1.00 92.46 218 A 1 ATOM 1817 C CA . ARG A 1 218 ? 21.880 4.443 8.207 1.00 92.48 218 A 1 ATOM 1818 C C . ARG A 1 218 ? 21.688 5.837 7.617 1.00 93.28 218 A 1 ATOM 1819 O O . ARG A 1 218 ? 22.030 6.838 8.261 1.00 91.52 218 A 1 ATOM 1820 C CB . ARG A 1 218 ? 23.272 3.909 7.847 1.00 90.44 218 A 1 ATOM 1821 C CG . ARG A 1 218 ? 24.420 4.816 8.259 1.00 80.61 218 A 1 ATOM 1822 C CD . ARG A 1 218 ? 25.768 4.191 7.930 1.00 76.60 218 A 1 ATOM 1823 N NE . ARG A 1 218 ? 26.890 5.057 8.297 1.00 67.44 218 A 1 ATOM 1824 C CZ . ARG A 1 218 ? 28.172 4.743 8.148 1.00 60.47 218 A 1 ATOM 1825 N NH1 . ARG A 1 218 ? 28.513 3.577 7.630 1.00 54.59 218 A 1 ATOM 1826 N NH2 . ARG A 1 218 ? 29.113 5.596 8.513 1.00 51.81 218 A 1 ATOM 1827 N N . HIS A 1 219 ? 21.136 5.913 6.414 1.00 92.91 219 A 1 ATOM 1828 C CA . HIS A 1 219 ? 21.089 7.174 5.684 1.00 92.76 219 A 1 ATOM 1829 C C . HIS A 1 219 ? 19.675 7.686 5.401 1.00 93.69 219 A 1 ATOM 1830 O O . HIS A 1 219 ? 19.510 8.633 4.629 1.00 91.76 219 A 1 ATOM 1831 C CB . HIS A 1 219 ? 21.851 7.041 4.358 1.00 90.52 219 A 1 ATOM 1832 C CG . HIS A 1 219 ? 23.297 6.677 4.526 1.00 85.00 219 A 1 ATOM 1833 N ND1 . HIS A 1 219 ? 24.200 7.495 5.172 1.00 75.35 219 A 1 ATOM 1834 C CD2 . HIS A 1 219 ? 23.996 5.591 4.135 1.00 74.67 219 A 1 ATOM 1835 C CE1 . HIS A 1 219 ? 25.392 6.922 5.173 1.00 74.54 219 A 1 ATOM 1836 N NE2 . HIS A 1 219 ? 25.299 5.769 4.549 1.00 75.83 219 A 1 ATOM 1837 N N . TRP A 1 220 ? 18.662 7.082 6.017 1.00 95.53 220 A 1 ATOM 1838 C CA . TRP A 1 220 ? 17.288 7.483 5.749 1.00 95.99 220 A 1 ATOM 1839 C C . TRP A 1 220 ? 17.063 8.952 6.089 1.00 96.06 220 A 1 ATOM 1840 O O . TRP A 1 220 ? 17.755 9.530 6.939 1.00 95.39 220 A 1 ATOM 1841 C CB . TRP A 1 220 ? 16.306 6.612 6.535 1.00 95.88 220 A 1 ATOM 1842 C CG . TRP A 1 220 ? 16.337 6.861 8.015 1.00 96.40 220 A 1 ATOM 1843 C CD1 . TRP A 1 220 ? 17.175 6.288 8.926 1.00 95.41 220 A 1 ATOM 1844 C CD2 . TRP A 1 220 ? 15.486 7.750 8.759 1.00 96.73 220 A 1 ATOM 1845 N NE1 . TRP A 1 220 ? 16.909 6.762 10.187 1.00 95.51 220 A 1 ATOM 1846 C CE2 . TRP A 1 220 ? 15.874 7.661 10.119 1.00 96.48 220 A 1 ATOM 1847 C CE3 . TRP A 1 220 ? 14.435 8.605 8.412 1.00 96.20 220 A 1 ATOM 1848 C CZ2 . TRP A 1 220 ? 15.250 8.400 11.126 1.00 96.01 220 A 1 ATOM 1849 C CZ3 . TRP A 1 220 ? 13.818 9.341 9.421 1.00 95.89 220 A 1 ATOM 1850 C CH2 . TRP A 1 220 ? 14.226 9.233 10.758 1.00 95.90 220 A 1 ATOM 1851 N N . GLN A 1 221 ? 16.086 9.540 5.422 1.00 96.57 221 A 1 ATOM 1852 C CA . GLN A 1 221 ? 15.760 10.941 5.632 1.00 96.37 221 A 1 ATOM 1853 C C . GLN A 1 221 ? 14.278 11.102 5.926 1.00 97.22 221 A 1 ATOM 1854 O O . GLN A 1 221 ? 13.449 10.330 5.442 1.00 97.06 221 A 1 ATOM 1855 C CB . GLN A 1 221 ? 16.142 11.780 4.409 1.00 94.83 221 A 1 ATOM 1856 C CG . GLN A 1 221 ? 17.636 11.792 4.109 1.00 87.10 221 A 1 ATOM 1857 C CD . GLN A 1 221 ? 17.998 12.645 2.909 1.00 79.84 221 A 1 ATOM 1858 O OE1 . GLN A 1 221 ? 19.150 12.656 2.472 1.00 71.59 221 A 1 ATOM 1859 N NE2 . GLN A 1 221 ? 17.029 13.372 2.364 1.00 67.15 221 A 1 ATOM 1860 N N . ARG A 1 222 ? 13.950 12.122 6.721 1.00 97.58 222 A 1 ATOM 1861 C CA . ARG A 1 222 ? 12.565 12.434 7.015 1.00 97.70 222 A 1 ATOM 1862 C C . ARG A 1 222 ? 11.862 12.900 5.749 1.00 97.84 222 A 1 ATOM 1863 O O . ARG A 1 222 ? 12.407 13.696 4.980 1.00 97.49 222 A 1 ATOM 1864 C CB . ARG A 1 222 ? 12.463 13.524 8.084 1.00 96.89 222 A 1 ATOM 1865 C CG . ARG A 1 222 ? 11.042 13.971 8.389 1.00 92.29 222 A 1 ATOM 1866 C CD . ARG A 1 222 ? 11.008 15.142 9.361 1.00 88.91 222 A 1 ATOM 1867 N NE . ARG A 1 222 ? 11.588 16.359 8.795 1.00 84.24 222 A 1 ATOM 1868 C CZ . ARG A 1 222 ? 10.923 17.214 8.027 1.00 80.88 222 A 1 ATOM 1869 N NH1 . ARG A 1 222 ? 9.655 16.992 7.707 1.00 73.26 222 A 1 ATOM 1870 N NH2 . ARG A 1 222 ? 11.526 18.303 7.566 1.00 74.15 222 A 1 ATOM 1871 N N . ALA A 1 223 ? 10.657 12.396 5.538 1.00 98.02 223 A 1 ATOM 1872 C CA . ALA A 1 223 ? 9.853 12.835 4.410 1.00 98.00 223 A 1 ATOM 1873 C C . ALA A 1 223 ? 9.313 14.232 4.682 1.00 98.01 223 A 1 ATOM 1874 O O . ALA A 1 223 ? 8.742 14.494 5.742 1.00 97.61 223 A 1 ATOM 1875 C CB . ALA A 1 223 ? 8.706 11.861 4.163 1.00 97.79 223 A 1 ATOM 1876 N N . ARG A 1 224 ? 9.497 15.118 3.723 1.00 97.81 224 A 1 ATOM 1877 C CA . ARG A 1 224 ? 8.951 16.464 3.834 1.00 97.51 224 A 1 ATOM 1878 C C . ARG A 1 224 ? 7.470 16.458 3.487 1.00 97.69 224 A 1 ATOM 1879 O O . ARG A 1 224 ? 7.011 15.659 2.666 1.00 97.28 224 A 1 ATOM 1880 C CB . ARG A 1 224 ? 9.706 17.423 2.911 1.00 96.43 224 A 1 ATOM 1881 C CG . ARG A 1 224 ? 11.094 17.793 3.401 1.00 92.38 224 A 1 ATOM 1882 C CD . ARG A 1 224 ? 11.867 18.571 2.329 1.00 90.09 224 A 1 ATOM 1883 N NE . ARG A 1 224 ? 12.325 17.699 1.254 1.00 82.61 224 A 1 ATOM 1884 C CZ . ARG A 1 224 ? 12.929 18.128 0.149 1.00 78.01 224 A 1 ATOM 1885 N NH1 . ARG A 1 224 ? 13.138 19.425 -0.034 1.00 71.92 224 A 1 ATOM 1886 N NH2 . ARG A 1 224 ? 13.322 17.258 -0.776 1.00 68.47 224 A 1 ATOM 1887 N N . MET A 1 225 ? 6.730 17.341 4.118 1.00 97.29 225 A 1 ATOM 1888 C CA . MET A 1 225 ? 5.333 17.538 3.784 1.00 97.05 225 A 1 ATOM 1889 C C . MET A 1 225 ? 5.206 18.448 2.567 1.00 96.72 225 A 1 ATOM 1890 O O . MET A 1 225 ? 6.165 19.117 2.174 1.00 96.03 225 A 1 ATOM 1891 C CB . MET A 1 225 ? 4.582 18.134 4.970 1.00 96.98 225 A 1 ATOM 1892 C CG . MET A 1 225 ? 4.554 17.251 6.213 1.00 95.55 225 A 1 ATOM 1893 S SD . MET A 1 225 ? 3.597 15.730 6.005 1.00 94.40 225 A 1 ATOM 1894 C CE . MET A 1 225 ? 4.883 14.527 5.702 1.00 86.98 225 A 1 ATOM 1895 N N . ALA A 1 226 ? 4.017 18.475 1.982 1.00 96.64 226 A 1 ATOM 1896 C CA . ALA A 1 226 ? 3.794 19.238 0.757 1.00 96.11 226 A 1 ATOM 1897 C C . ALA A 1 226 ? 4.216 20.697 0.905 1.00 95.62 226 A 1 ATOM 1898 O O . ALA A 1 226 ? 4.843 21.263 0.005 1.00 94.25 226 A 1 ATOM 1899 C CB . ALA A 1 226 ? 2.327 19.152 0.351 1.00 95.62 226 A 1 ATOM 1900 N N . HIS A 1 227 ? 3.907 21.302 2.032 1.00 95.41 227 A 1 ATOM 1901 C CA . HIS A 1 227 ? 4.182 22.722 2.227 1.00 94.46 227 A 1 ATOM 1902 C C . HIS A 1 227 ? 5.671 23.017 2.365 1.00 94.36 227 A 1 ATOM 1903 O O . HIS A 1 227 ? 6.073 24.183 2.343 1.00 93.12 227 A 1 ATOM 1904 C CB . HIS A 1 227 ? 3.440 23.241 3.460 1.00 93.46 227 A 1 ATOM 1905 C CG . HIS A 1 227 ? 3.988 22.723 4.760 1.00 91.26 227 A 1 ATOM 1906 N ND1 . HIS A 1 227 ? 3.545 21.561 5.350 1.00 84.04 227 A 1 ATOM 1907 C CD2 . HIS A 1 227 ? 4.939 23.220 5.580 1.00 84.38 227 A 1 ATOM 1908 C CE1 . HIS A 1 227 ? 4.203 21.357 6.474 1.00 85.06 227 A 1 ATOM 1909 N NE2 . HIS A 1 227 ? 5.054 22.349 6.643 1.00 86.23 227 A 1 ATOM 1910 N N . GLU A 1 228 ? 6.495 21.976 2.516 1.00 95.52 228 A 1 ATOM 1911 C CA . GLU A 1 228 ? 7.938 22.157 2.629 1.00 95.11 228 A 1 ATOM 1912 C C . GLU A 1 228 ? 8.635 22.153 1.271 1.00 93.60 228 A 1 ATOM 1913 O O . GLU A 1 228 ? 9.856 22.332 1.206 1.00 89.89 228 A 1 ATOM 1914 C CB . GLU A 1 228 ? 8.544 21.072 3.524 1.00 94.72 228 A 1 ATOM 1915 C CG . GLU A 1 228 ? 8.069 21.110 4.968 1.00 94.23 228 A 1 ATOM 1916 C CD . GLU A 1 228 ? 8.724 20.049 5.828 1.00 95.07 228 A 1 ATOM 1917 O OE1 . GLU A 1 228 ? 8.162 18.946 5.939 1.00 91.12 228 A 1 ATOM 1918 O OE2 . GLU A 1 228 ? 9.814 20.314 6.380 1.00 92.03 228 A 1 ATOM 1919 N N . PHE A 1 229 ? 7.882 21.937 0.199 1.00 93.87 229 A 1 ATOM 1920 C CA . PHE A 1 229 ? 8.419 21.990 -1.156 1.00 91.05 229 A 1 ATOM 1921 C C . PHE A 1 229 ? 8.025 23.298 -1.824 1.00 85.74 229 A 1 ATOM 1922 O O . PHE A 1 229 ? 6.969 23.866 -1.542 1.00 76.04 229 A 1 ATOM 1923 C CB . PHE A 1 229 ? 7.920 20.812 -1.997 1.00 90.62 229 A 1 ATOM 1924 C CG . PHE A 1 229 ? 8.490 19.484 -1.586 1.00 93.38 229 A 1 ATOM 1925 C CD1 . PHE A 1 229 ? 9.687 19.034 -2.121 1.00 91.95 229 A 1 ATOM 1926 C CD2 . PHE A 1 229 ? 7.827 18.683 -0.670 1.00 91.98 229 A 1 ATOM 1927 C CE1 . PHE A 1 229 ? 10.211 17.807 -1.750 1.00 91.49 229 A 1 ATOM 1928 C CE2 . PHE A 1 229 ? 8.348 17.456 -0.294 1.00 92.16 229 A 1 ATOM 1929 C CZ . PHE A 1 229 ? 9.542 17.018 -0.835 1.00 93.00 229 A 1 ATOM 1930 N N . VAL A 1 230 ? 8.885 23.773 -2.717 1.00 83.04 230 A 1 ATOM 1931 C CA . VAL A 1 230 ? 8.599 24.965 -3.501 1.00 79.75 230 A 1 ATOM 1932 C C . VAL A 1 230 ? 8.263 24.526 -4.915 1.00 77.60 230 A 1 ATOM 1933 O O . VAL A 1 230 ? 9.086 23.894 -5.586 1.00 69.50 230 A 1 ATOM 1934 C CB . VAL A 1 230 ? 9.790 25.944 -3.521 1.00 72.67 230 A 1 ATOM 1935 C CG1 . VAL A 1 230 ? 9.471 27.152 -4.395 1.00 63.52 230 A 1 ATOM 1936 C CG2 . VAL A 1 230 ? 10.138 26.374 -2.102 1.00 65.15 230 A 1 ATOM 1937 N N . TYR A 1 231 ? 7.059 24.848 -5.368 1.00 72.63 231 A 1 ATOM 1938 C CA . TYR A 1 231 ? 6.606 24.479 -6.702 1.00 68.87 231 A 1 ATOM 1939 C C . TYR A 1 231 ? 6.593 25.692 -7.621 1.00 67.30 231 A 1 ATOM 1940 O O . TYR A 1 231 ? 6.292 26.809 -7.193 1.00 59.19 231 A 1 ATOM 1941 C CB . TYR A 1 231 ? 5.212 23.849 -6.648 1.00 61.46 231 A 1 ATOM 1942 C CG . TYR A 1 231 ? 5.175 22.503 -5.958 1.00 56.16 231 A 1 ATOM 1943 C CD1 . TYR A 1 231 ? 5.478 21.341 -6.652 1.00 51.46 231 A 1 ATOM 1944 C CD2 . TYR A 1 231 ? 4.839 22.397 -4.616 1.00 49.36 231 A 1 ATOM 1945 C CE1 . TYR A 1 231 ? 5.448 20.104 -6.028 1.00 45.71 231 A 1 ATOM 1946 C CE2 . TYR A 1 231 ? 4.807 21.163 -3.981 1.00 45.87 231 A 1 ATOM 1947 C CZ . TYR A 1 231 ? 5.110 20.021 -4.693 1.00 43.89 231 A 1 ATOM 1948 O OH . TYR A 1 231 ? 5.076 18.799 -4.072 1.00 40.28 231 A 1 ATOM 1949 N N . GLY A 1 232 ? 6.925 25.459 -8.892 1.00 63.71 232 A 1 ATOM 1950 C CA . GLY A 1 232 ? 6.846 26.519 -9.878 1.00 61.90 232 A 1 ATOM 1951 C C . GLY A 1 232 ? 5.413 26.905 -10.163 1.00 62.58 232 A 1 ATOM 1952 O O . GLY A 1 232 ? 4.476 26.169 -9.860 1.00 57.29 232 A 1 ATOM 1953 N N . GLU A 1 233 ? 5.240 28.073 -10.768 1.00 59.56 233 A 1 ATOM 1954 C CA . GLU A 1 233 ? 3.896 28.565 -11.056 1.00 59.10 233 A 1 ATOM 1955 C C . GLU A 1 233 ? 3.163 27.678 -12.052 1.00 59.17 233 A 1 ATOM 1956 O O . GLU A 1 233 ? 1.932 27.651 -12.073 1.00 53.61 233 A 1 ATOM 1957 C CB . GLU A 1 233 ? 3.955 29.998 -11.582 1.00 53.47 233 A 1 ATOM 1958 C CG . GLU A 1 233 ? 4.474 31.012 -10.573 1.00 47.04 233 A 1 ATOM 1959 C CD . GLU A 1 233 ? 3.508 31.209 -9.412 1.00 42.31 233 A 1 ATOM 1960 O OE1 . GLU A 1 233 ? 2.302 30.942 -9.582 1.00 38.82 233 A 1 ATOM 1961 O OE2 . GLU A 1 233 ? 3.966 31.629 -8.332 1.00 42.10 233 A 1 ATOM 1962 N N . GLN A 1 234 ? 3.911 26.955 -12.886 1.00 56.04 234 A 1 ATOM 1963 C CA . GLN A 1 234 ? 3.316 26.083 -13.893 1.00 56.32 234 A 1 ATOM 1964 C C . GLN A 1 234 ? 3.159 24.648 -13.397 1.00 57.37 234 A 1 ATOM 1965 O O . GLN A 1 234 ? 2.705 23.781 -14.144 1.00 51.75 234 A 1 ATOM 1966 C CB . GLN A 1 234 ? 4.157 26.105 -15.173 1.00 51.00 234 A 1 ATOM 1967 C CG . GLN A 1 234 ? 4.237 27.470 -15.837 1.00 45.45 234 A 1 ATOM 1968 C CD . GLN A 1 234 ? 5.087 27.470 -17.091 1.00 40.04 234 A 1 ATOM 1969 O OE1 . GLN A 1 234 ? 5.732 26.471 -17.417 1.00 38.58 234 A 1 ATOM 1970 N NE2 . GLN A 1 234 ? 5.096 28.591 -17.799 1.00 37.48 234 A 1 ATOM 1971 N N . SER A 1 235 ? 3.555 24.390 -12.146 1.00 47.82 235 A 1 ATOM 1972 C CA . SER A 1 235 ? 3.436 23.050 -11.567 1.00 48.23 235 A 1 ATOM 1973 C C . SER A 1 235 ? 2.002 22.778 -11.123 1.00 46.39 235 A 1 ATOM 1974 O O . SER A 1 235 ? 1.545 21.635 -11.216 1.00 42.55 235 A 1 ATOM 1975 C CB . SER A 1 235 ? 4.387 22.892 -10.384 1.00 44.95 235 A 1 ATOM 1976 O OG . SER A 1 235 ? 5.736 23.015 -10.796 1.00 42.75 235 A 1 ATOM 1977 O OXT . SER A 1 235 ? 1.342 23.675 -10.618 1.00 40.67 235 A 1 HETATM 1978 Zn ZN1 . LIG_B B 2 . ? 8.369 -0.224 -0.458 1.00 68.49 1 B 1 #