NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
525937 | 2l45 | 17229 | cing | 4-filtered-FRED | STAR | entry | full | 539 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2l45 # This FRED archive file contains, for PDB entry <2l45>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2l45 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2l45 _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 4036.11 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $C_TERMINAL_ZINC_KNUCLE_OF_THE_HIV_NCP7 A . 1 1 2 . 2 $DNA__5__D_P_TP_AP_CP_GP_CP_C__3__ B . 1 1 3 . 3 $ZINC_ION C . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 3 3 ZN 1 ZN 1 1 stop_ save_ save_C_TERMINAL_ZINC_KNUCLE_OF_THE_HIV_NCP7 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "C TERMINAL ZINC KNUCLE OF THE HIV NCP7" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KGCWKCGKEGHQMKDCTER _Entity.Number_of_monomers 19 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 LYS . 1 1 2 GLY . 1 1 3 CYS . 1 1 4 TRP . 1 1 5 LYS . 1 1 6 CYS . 1 1 7 GLY . 1 1 8 LYS . 1 1 9 GLU . 1 1 10 GLY . 1 1 11 HIS . 1 1 12 GLN . 1 1 13 MET . 1 1 14 LYS . 1 1 15 ASP . 1 1 16 CYS . 1 1 17 THR . 1 1 18 GLU . 1 1 19 ARG . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID LYS 1 1 1 1 GLY 2 2 1 1 CYS 3 3 1 1 TRP 4 4 1 1 LYS 5 5 1 1 CYS 6 6 1 1 GLY 7 7 1 1 LYS 8 8 1 1 GLU 9 9 1 1 GLY 10 10 1 1 HIS 11 11 1 1 GLN 12 12 1 1 MET 13 13 1 1 LYS 14 14 1 1 ASP 15 15 1 1 CYS 16 16 1 1 THR 17 17 1 1 GLU 18 18 1 1 ARG 19 19 1 1 stop_ save_ save_DNA__5__D_P_TP_AP_CP_GP_CP_C__3__ _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "DNA 5 D P TP AP CP GP CP C 3 " _Entity.Type polymer _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_seq_one_letter_code TACGCC _Entity.Number_of_monomers 6 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 DT . 1 2 2 DA . 1 2 3 DC . 1 2 4 DG . 1 2 5 DC . 1 2 6 DC . 1 2 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID DT 1 1 1 2 DA 2 2 1 2 DC 3 3 1 2 DG 4 4 1 2 DC 5 5 1 2 DC 6 6 1 2 stop_ save_ save_ZINC_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 3 _Entity.Name "ZINC ION" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ZN $ZN 1 3 stop_ save_ save_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ZN _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 13 MET HA . 13 MET HA 1 1 1 1 2 1 1 17 THR H . 17 THR H 1 1 2 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 2 1 2 2 2 3 DC Q2' . 203 CYT H2' 1 1 3 1 1 1 1 7 GLY HA3 . 7 GLY HA3 1 1 3 1 2 1 1 8 LYS QE . 8 LYS QE 1 1 4 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 4 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 5 1 1 1 1 4 TRP HZ2 . 4 TRP HZ2 1 1 5 1 2 2 2 5 DC Q2' . 205 CYT H2" 1 1 6 1 1 1 1 5 LYS H . 5 LYS H 1 1 6 1 2 1 1 13 MET HA . 13 MET HA 1 1 7 1 1 1 1 5 LYS QE . 5 LYS QE 1 1 7 1 2 1 1 18 GLU HB2 . 18 GLU HB2 1 1 8 1 1 1 1 4 TRP HZ2 . 4 TRP HZ2 1 1 8 1 2 2 2 5 DC H1' . 205 CYT H1' 1 1 9 1 1 1 1 10 GLY H . 10 GLY H 1 1 9 1 2 1 1 11 HIS QB . 11 HIS QB 1 1 10 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 10 1 2 1 1 3 CYS H . 3 CYSZ H 1 1 11 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 11 1 2 1 1 7 GLY H . 7 GLY H 1 1 12 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 12 1 2 1 1 9 GLU HA . 9 GLU HA 1 1 13 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 13 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 14 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 14 1 2 1 1 8 LYS H . 8 LYS H 1 1 15 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 15 1 2 1 1 9 GLU H . 9 GLU H 1 1 16 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 16 1 2 1 1 9 GLU HB2 . 9 GLU HB2 1 1 17 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 17 1 2 1 1 9 GLU HG2 . 9 GLU HG2 1 1 18 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 18 1 2 1 1 9 GLU HG3 . 9 GLU HG3 1 1 19 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 19 1 2 1 1 10 GLY H . 10 GLY H 1 1 20 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 20 1 2 1 1 11 HIS H . 11 HIS H 1 1 21 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 21 1 2 1 1 7 GLY HA2 . 7 GLY HA2 1 1 22 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 22 1 2 1 1 10 GLY H . 10 GLY H 1 1 23 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 23 1 2 1 1 8 LYS H . 8 LYS H 1 1 24 1 1 1 1 3 CYS HA . 3 CYSZ HA 1 1 24 1 2 1 1 4 TRP HB3 . 4 TRP HB3 1 1 25 1 1 1 1 3 CYS HA . 3 CYSZ HA 1 1 25 1 2 1 1 11 HIS H . 11 HIS H 1 1 26 1 1 1 1 9 GLU HA . 9 GLU HA 1 1 26 1 2 1 1 11 HIS H . 11 HIS H 1 1 27 1 1 1 1 3 CYS HA . 3 CYSZ HA 1 1 27 1 2 1 1 11 HIS HD2 . 11 HIS HD2 1 1 28 1 1 1 1 3 CYS HA . 3 CYSZ HA 1 1 28 1 2 1 1 13 MET H . 13 MET H 1 1 29 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 29 1 2 1 1 3 CYS HB2 . 3 CYSZ HB2 1 1 30 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 30 1 2 1 1 9 GLU HB3 . 9 GLU HB3 1 1 31 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 31 1 2 1 1 3 CYS HB2 . 3 CYSZ HB2 1 1 32 1 1 1 1 3 CYS HB2 . 3 CYSZ HB2 1 1 32 1 2 1 1 7 GLY H . 7 GLY H 1 1 33 1 1 1 1 3 CYS HB2 . 3 CYSZ HB2 1 1 33 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 34 1 1 1 1 3 CYS HB2 . 3 CYSZ HB2 1 1 34 1 2 1 1 11 HIS H . 11 HIS H 1 1 35 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 35 1 2 1 1 3 CYS HB3 . 3 CYSZ HB3 1 1 36 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 36 1 2 1 1 3 CYS HB3 . 3 CYSZ HB3 1 1 37 1 1 1 1 3 CYS HB3 . 3 CYSZ HB3 1 1 37 1 2 1 1 6 CYS H . 6 CYSS H 1 1 38 1 1 1 1 3 CYS HB3 . 3 CYSZ HB3 1 1 38 1 2 1 1 7 GLY H . 7 GLY H 1 1 39 1 1 1 1 3 CYS HB3 . 3 CYSZ HB3 1 1 39 1 2 1 1 8 LYS H . 8 LYS H 1 1 40 1 1 1 1 3 CYS HB3 . 3 CYSZ HB3 1 1 40 1 2 1 1 11 HIS H . 11 HIS H 1 1 41 1 1 1 1 3 CYS HB3 . 3 CYSZ HB3 1 1 41 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 42 1 1 1 1 4 TRP H . 4 TRP H 1 1 42 1 2 1 1 5 LYS H . 5 LYS H 1 1 43 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 43 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 44 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 44 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 45 1 1 1 1 4 TRP H . 4 TRP H 1 1 45 1 2 1 1 4 TRP HB3 . 4 TRP HB3 1 1 46 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 46 1 2 1 1 5 LYS H . 5 LYS H 1 1 47 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 47 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 48 1 1 1 1 4 TRP H . 4 TRP H 1 1 48 1 2 1 1 4 TRP HB2 . 4 TRP HB2 1 1 49 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 49 1 2 1 1 5 LYS H . 5 LYS H 1 1 50 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 50 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 51 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 51 1 2 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 52 1 1 1 1 5 LYS H . 5 LYS H 1 1 52 1 2 1 1 5 LYS QB . 5 LYS QB 1 1 53 1 1 1 1 5 LYS QB . 5 LYS QB 1 1 53 1 2 1 1 5 LYS QE . 5 LYS QE 1 1 54 1 1 1 1 5 LYS QB . 5 LYS QB 1 1 54 1 2 1 1 6 CYS H . 6 CYSS H 1 1 55 1 1 1 1 5 LYS H . 5 LYS H 1 1 55 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 56 1 1 1 1 5 LYS QB . 5 LYS QB 1 1 56 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 57 1 1 1 1 5 LYS QD . 5 LYS QD 1 1 57 1 2 1 1 6 CYS H . 6 CYSS H 1 1 58 1 1 1 1 5 LYS QE . 5 LYS QE 1 1 58 1 2 1 1 18 GLU HB3 . 18 GLU HB3 1 1 59 1 1 1 1 5 LYS H . 5 LYS H 1 1 59 1 2 1 1 5 LYS QG . 5 LYS QG 1 1 60 1 1 1 1 5 LYS QG . 5 LYS QG 1 1 60 1 2 1 1 6 CYS H . 6 CYSS H 1 1 61 1 1 1 1 5 LYS QG . 5 LYS QG 1 1 61 1 2 1 1 6 CYS HB2 . 6 CYSS HB2 1 1 62 1 1 1 1 5 LYS QG . 5 LYS QG 1 1 62 1 2 1 1 6 CYS HB3 . 6 CYSS HB3 1 1 63 1 1 1 1 5 LYS QG . 5 LYS QG 1 1 63 1 2 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 64 1 1 1 1 5 LYS H . 5 LYS H 1 1 64 1 2 1 1 6 CYS H . 6 CYSS H 1 1 65 1 1 1 1 6 CYS H . 6 CYSS H 1 1 65 1 2 1 1 11 HIS HD2 . 11 HIS HD2 1 1 66 1 1 1 1 5 LYS QG . 5 LYS QG 1 1 66 1 2 1 1 6 CYS HA . 6 CYSS HA 1 1 67 1 1 1 1 6 CYS HA . 6 CYSS HA 1 1 67 1 2 1 1 8 LYS H . 8 LYS H 1 1 68 1 1 1 1 6 CYS HA . 6 CYSS HA 1 1 68 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 69 1 1 1 1 6 CYS H . 6 CYSS H 1 1 69 1 2 1 1 6 CYS HB2 . 6 CYSS HB2 1 1 70 1 1 1 1 6 CYS HB2 . 6 CYSS HB2 1 1 70 1 2 1 1 7 GLY H . 7 GLY H 1 1 71 1 1 1 1 6 CYS H . 6 CYSS H 1 1 71 1 2 1 1 6 CYS HB3 . 6 CYSS HB3 1 1 72 1 1 1 1 6 CYS HB3 . 6 CYSS HB3 1 1 72 1 2 1 1 7 GLY H . 7 GLY H 1 1 73 1 1 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 73 1 2 1 1 17 THR H . 17 THR H 1 1 74 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 74 1 2 1 1 7 GLY H . 7 GLY H 1 1 75 1 1 1 1 5 LYS H . 5 LYS H 1 1 75 1 2 1 1 7 GLY H . 7 GLY H 1 1 76 1 1 1 1 6 CYS H . 6 CYSS H 1 1 76 1 2 1 1 7 GLY H . 7 GLY H 1 1 77 1 1 1 1 7 GLY H . 7 GLY H 1 1 77 1 2 1 1 8 LYS H . 8 LYS H 1 1 78 1 1 1 1 6 CYS H . 6 CYSS H 1 1 78 1 2 1 1 7 GLY HA2 . 7 GLY HA2 1 1 79 1 1 1 1 7 GLY HA2 . 7 GLY HA2 1 1 79 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 80 1 1 1 1 3 CYS HA . 3 CYSZ HA 1 1 80 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 81 1 1 1 1 7 GLY HA3 . 7 GLY HA3 1 1 81 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 82 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 82 1 2 1 1 8 LYS HA . 8 LYS HA 1 1 83 1 1 1 1 8 LYS HA . 8 LYS HA 1 1 83 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 84 1 1 1 1 8 LYS HB2 . 8 LYS HB2 1 1 84 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 85 1 1 1 1 5 LYS QD . 5 LYS QD 1 1 85 1 2 1 1 7 GLY H . 7 GLY H 1 1 86 1 1 1 1 8 LYS HB3 . 8 LYS HB3 1 1 86 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 87 1 1 1 1 8 LYS H . 8 LYS H 1 1 87 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 88 1 1 1 1 8 LYS QZ . 8 LYS QZ 1 1 88 1 2 1 1 11 HIS QB . 11 HIS QB 1 1 89 1 1 1 1 7 GLY H . 7 GLY H 1 1 89 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 90 1 1 1 1 7 GLY H . 7 GLY H 1 1 90 1 2 1 1 8 LYS QD . 8 LYS QD 1 1 91 1 1 1 1 8 LYS H . 8 LYS H 1 1 91 1 2 1 1 8 LYS QD . 8 LYS QD 1 1 92 1 1 1 1 8 LYS HB2 . 8 LYS HB2 1 1 92 1 2 1 1 8 LYS QD . 8 LYS QD 1 1 93 1 1 1 1 8 LYS HB3 . 8 LYS HB3 1 1 93 1 2 1 1 8 LYS QD . 8 LYS QD 1 1 94 1 1 1 1 8 LYS H . 8 LYS H 1 1 94 1 2 1 1 8 LYS QE . 8 LYS QE 1 1 95 1 1 1 1 8 LYS H . 8 LYS H 1 1 95 1 2 1 1 8 LYS QG . 8 LYS QG 1 1 96 1 1 1 1 9 GLU H . 9 GLU H 1 1 96 1 2 1 1 10 GLY H . 10 GLY H 1 1 97 1 1 1 1 9 GLU HA . 9 GLU HA 1 1 97 1 2 1 1 10 GLY H . 10 GLY H 1 1 98 1 1 1 1 3 CYS HB2 . 3 CYSZ HB2 1 1 98 1 2 1 1 8 LYS H . 8 LYS H 1 1 99 1 1 1 1 3 CYS HB2 . 3 CYSZ HB2 1 1 99 1 2 1 1 6 CYS H . 6 CYSS H 1 1 100 1 1 1 1 9 GLU H . 9 GLU H 1 1 100 1 2 1 1 9 GLU HG2 . 9 GLU HG2 1 1 101 1 1 1 1 9 GLU H . 9 GLU H 1 1 101 1 2 1 1 9 GLU HG3 . 9 GLU HG3 1 1 102 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 102 1 2 1 1 11 HIS H . 11 HIS H 1 1 103 1 1 1 1 8 LYS H . 8 LYS H 1 1 103 1 2 1 1 11 HIS H . 11 HIS H 1 1 104 1 1 1 1 9 GLU H . 9 GLU H 1 1 104 1 2 1 1 11 HIS H . 11 HIS H 1 1 105 1 1 1 1 10 GLY H . 10 GLY H 1 1 105 1 2 1 1 11 HIS H . 11 HIS H 1 1 106 1 1 1 1 8 LYS QZ . 8 LYS QZ 1 1 106 1 2 1 1 11 HIS H . 11 HIS H 1 1 107 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 107 1 2 1 1 13 MET HA . 13 MET HA 1 1 108 1 1 1 1 11 HIS HA . 11 HIS HA 1 1 108 1 2 1 1 11 HIS QB . 11 HIS QB 1 1 109 1 1 1 1 11 HIS HA . 11 HIS HA 1 1 109 1 2 1 1 12 GLN H . 12 GLN H 1 1 110 1 1 1 1 11 HIS H . 11 HIS H 1 1 110 1 2 1 1 11 HIS HD2 . 11 HIS HD2 1 1 111 1 1 1 1 8 LYS QZ . 8 LYS QZ 1 1 111 1 2 1 1 11 HIS HD2 . 11 HIS HD2 1 1 112 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 112 1 2 1 1 12 GLN H . 12 GLN H 1 1 113 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 113 1 2 1 1 15 ASP H . 15 ASP H 1 1 114 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 114 1 2 1 1 16 CYS H . 16 CYSS H 1 1 115 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 115 1 2 1 1 17 THR H . 17 THR H 1 1 116 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 116 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 117 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 117 1 2 1 1 11 HIS HD2 . 11 HIS HD2 1 1 118 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 118 1 2 1 1 12 GLN H . 12 GLN H 1 1 119 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 119 1 2 1 1 16 CYS H . 16 CYSS H 1 1 120 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 120 1 2 1 1 16 CYS HA . 16 CYSS HA 1 1 121 1 1 1 1 12 GLN H . 12 GLN H 1 1 121 1 2 1 1 13 MET H . 13 MET H 1 1 122 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 122 1 2 1 1 12 GLN HA . 12 GLN HA 1 1 123 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 123 1 2 1 1 12 GLN HA . 12 GLN HA 1 1 124 1 1 1 1 12 GLN HA . 12 GLN HA 1 1 124 1 2 1 1 13 MET H . 13 MET H 1 1 125 1 1 1 1 12 GLN H . 12 GLN H 1 1 125 1 2 1 1 12 GLN QB . 12 GLN HB3 1 1 126 1 1 1 1 12 GLN QB . 12 GLN HB3 1 1 126 1 2 1 1 12 GLN HE21 . 12 GLN HE21 1 1 127 1 1 1 1 12 GLN QB . 12 GLN HB3 1 1 127 1 2 1 1 12 GLN HE22 . 12 GLN HE22 1 1 128 1 1 1 1 11 HIS H . 11 HIS H 1 1 128 1 2 1 1 12 GLN H . 12 GLN H 1 1 129 1 1 1 1 12 GLN H . 12 GLN H 1 1 129 1 2 1 1 12 GLN HE21 . 12 GLN HE21 1 1 130 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 130 1 2 1 1 13 MET H . 13 MET H 1 1 131 1 1 1 1 4 TRP H . 4 TRP H 1 1 131 1 2 1 1 13 MET HA . 13 MET HA 1 1 132 1 1 1 1 10 GLY H . 10 GLY H 1 1 132 1 2 1 1 11 HIS HA . 11 HIS HA 1 1 133 1 1 1 1 13 MET HA . 13 MET HA 1 1 133 1 2 1 1 13 MET HB3 . 13 MET HB3 1 1 134 1 1 1 1 13 MET HA . 13 MET HA 1 1 134 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 135 1 1 1 1 13 MET HA . 13 MET HA 1 1 135 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 136 1 1 1 1 13 MET HA . 13 MET HA 1 1 136 1 2 1 1 16 CYS H . 16 CYSS H 1 1 137 1 1 1 1 13 MET HA . 13 MET HA 1 1 137 1 2 1 1 15 ASP H . 15 ASP H 1 1 138 1 1 1 1 13 MET H . 13 MET H 1 1 138 1 2 1 1 13 MET HB2 . 13 MET HB2 1 1 139 1 1 1 1 13 MET HB2 . 13 MET HB2 1 1 139 1 2 1 1 14 LYS H . 14 LYS H 1 1 140 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 140 1 2 1 1 12 GLN QB . 12 GLN HB2 1 1 141 1 1 1 1 12 GLN QB . 12 GLN HB2 1 1 141 1 2 1 1 13 MET H . 13 MET H 1 1 142 1 1 1 1 13 MET H . 13 MET H 1 1 142 1 2 1 1 13 MET HB3 . 13 MET HB3 1 1 143 1 1 1 1 12 GLN QB . 12 GLN HB2 1 1 143 1 2 1 1 14 LYS H . 14 LYS H 1 1 144 1 1 1 1 13 MET HB3 . 13 MET HB3 1 1 144 1 2 1 1 14 LYS H . 14 LYS H 1 1 145 1 1 1 1 13 MET HB3 . 13 MET HB3 1 1 145 1 2 1 1 14 LYS QZ . 14 LYS QZ 1 1 146 1 1 1 1 13 MET HB3 . 13 MET HB3 1 1 146 1 2 1 1 16 CYS H . 16 CYSS H 1 1 147 1 1 1 1 4 TRP H . 4 TRP H 1 1 147 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 148 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 148 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 149 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 149 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 150 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 150 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 151 1 1 1 1 13 MET H . 13 MET H 1 1 151 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 152 1 1 1 1 13 MET HG3 . 13 MET HG3 1 1 152 1 2 1 1 14 LYS H . 14 LYS H 1 1 153 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 153 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 154 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 154 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 155 1 1 1 1 13 MET H . 13 MET H 1 1 155 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 156 1 1 1 1 14 LYS H . 14 LYS H 1 1 156 1 2 1 1 14 LYS QE . 14 LYS QE 1 1 157 1 1 1 1 5 LYS QB . 5 LYS QB 1 1 157 1 2 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 158 1 1 1 1 13 MET H . 13 MET H 1 1 158 1 2 1 1 14 LYS H . 14 LYS H 1 1 159 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 159 1 2 1 1 14 LYS QZ . 14 LYS QZ 1 1 160 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 160 1 2 1 1 14 LYS QE . 14 LYS QE 1 1 161 1 1 1 1 14 LYS H . 14 LYS H 1 1 161 1 2 1 1 14 LYS QB . 14 LYS HB3 1 1 162 1 1 1 1 14 LYS QB . 14 LYS HB3 1 1 162 1 2 1 1 14 LYS QZ . 14 LYS QZ 1 1 163 1 1 1 1 14 LYS QB . 14 LYS HB3 1 1 163 1 2 1 1 14 LYS QE . 14 LYS QE 1 1 164 1 1 1 1 14 LYS QB . 14 LYS HB2 1 1 164 1 2 1 1 15 ASP H . 15 ASP H 1 1 165 1 1 1 1 14 LYS H . 14 LYS H 1 1 165 1 2 1 1 14 LYS QZ . 14 LYS QZ 1 1 166 1 1 1 1 14 LYS H . 14 LYS H 1 1 166 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 167 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 167 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 168 1 1 1 1 14 LYS QB . 14 LYS HB3 1 1 168 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 169 1 1 1 1 13 MET HB2 . 13 MET HB2 1 1 169 1 2 1 1 14 LYS QG . 14 LYS QG 1 1 170 1 1 1 1 14 LYS H . 14 LYS H 1 1 170 1 2 1 1 14 LYS QG . 14 LYS QG 1 1 171 1 1 1 1 14 LYS QG . 14 LYS QG 1 1 171 1 2 1 1 15 ASP H . 15 ASP H 1 1 172 1 1 1 1 14 LYS H . 14 LYS H 1 1 172 1 2 1 1 15 ASP H . 15 ASP H 1 1 173 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 173 1 2 1 1 15 ASP HA . 15 ASP HA 1 1 174 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 174 1 2 1 1 15 ASP HB2 . 15 ASP HB2 1 1 175 1 1 1 1 12 GLN H . 12 GLN H 1 1 175 1 2 1 1 15 ASP HB2 . 15 ASP HB2 1 1 176 1 1 1 1 15 ASP H . 15 ASP H 1 1 176 1 2 1 1 15 ASP HB2 . 15 ASP HB2 1 1 177 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 177 1 2 1 1 16 CYS HB2 . 16 CYSS HB2 1 1 178 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 178 1 2 1 1 15 ASP HB3 . 15 ASP HB3 1 1 179 1 1 1 1 12 GLN H . 12 GLN H 1 1 179 1 2 1 1 15 ASP HB3 . 15 ASP HB3 1 1 180 1 1 1 1 15 ASP H . 15 ASP H 1 1 180 1 2 1 1 15 ASP HB3 . 15 ASP HB3 1 1 181 1 1 1 1 15 ASP H . 15 ASP H 1 1 181 1 2 1 1 16 CYS H . 16 CYSS H 1 1 182 1 1 1 1 16 CYS H . 16 CYSS H 1 1 182 1 2 1 1 17 THR H . 17 THR H 1 1 183 1 1 1 1 12 GLN H . 12 GLN H 1 1 183 1 2 1 1 16 CYS H . 16 CYSS H 1 1 184 1 1 1 1 16 CYS H . 16 CYSS H 1 1 184 1 2 1 1 18 GLU H . 18 GLU H 1 1 185 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 185 1 2 1 1 16 CYS HA . 16 CYSS HA 1 1 186 1 1 1 1 11 HIS HE1 . 11 HIS HE1 1 1 186 1 2 1 1 16 CYS HA . 16 CYSS HA 1 1 187 1 1 1 1 15 ASP H . 15 ASP H 1 1 187 1 2 1 1 16 CYS HA . 16 CYSS HA 1 1 188 1 1 1 1 16 CYS HA . 16 CYSS HA 1 1 188 1 2 1 1 18 GLU H . 18 GLU H 1 1 189 1 1 1 1 16 CYS H . 16 CYSS H 1 1 189 1 2 1 1 16 CYS HB2 . 16 CYSS HB2 1 1 190 1 1 1 1 16 CYS HB2 . 16 CYSS HB2 1 1 190 1 2 1 1 17 THR H . 17 THR H 1 1 191 1 1 1 1 16 CYS HB2 . 16 CYSS HB2 1 1 191 1 2 1 1 18 GLU H . 18 GLU H 1 1 192 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 192 1 2 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 193 1 1 1 1 15 ASP H . 15 ASP H 1 1 193 1 2 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 194 1 1 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 194 1 2 1 1 19 ARG H . 19 ARG H 1 1 195 1 1 1 1 16 CYS H . 16 CYSS H 1 1 195 1 2 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 196 1 1 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 196 1 2 1 1 17 THR MG . 17 THR QG2 1 1 197 1 1 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 197 1 2 1 1 18 GLU H . 18 GLU H 1 1 198 1 1 1 1 17 THR H . 17 THR H 1 1 198 1 2 1 1 18 GLU H . 18 GLU H 1 1 199 1 1 1 1 15 ASP H . 15 ASP H 1 1 199 1 2 1 1 17 THR MG . 17 THR QG2 1 1 200 1 1 1 1 17 THR MG . 17 THR QG2 1 1 200 1 2 1 1 19 ARG H . 19 ARG H 1 1 201 1 1 1 1 16 CYS H . 16 CYSS H 1 1 201 1 2 1 1 17 THR MG . 17 THR QG2 1 1 202 1 1 1 1 16 CYS HA . 16 CYSS HA 1 1 202 1 2 1 1 17 THR MG . 17 THR QG2 1 1 203 1 1 1 1 16 CYS HB2 . 16 CYSS HB2 1 1 203 1 2 1 1 17 THR MG . 17 THR QG2 1 1 204 1 1 1 1 17 THR H . 17 THR H 1 1 204 1 2 1 1 17 THR MG . 17 THR QG2 1 1 205 1 1 1 1 17 THR MG . 17 THR QG2 1 1 205 1 2 1 1 18 GLU H . 18 GLU H 1 1 206 1 1 1 1 18 GLU HA . 18 GLU HA 1 1 206 1 2 1 1 19 ARG H . 19 ARG H 1 1 207 1 1 1 1 12 GLN QB . 12 GLN HB2 1 1 207 1 2 1 1 15 ASP H . 15 ASP H 1 1 208 1 1 1 1 18 GLU HB3 . 18 GLU HB3 1 1 208 1 2 1 1 19 ARG H . 19 ARG H 1 1 209 1 1 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 209 1 2 1 1 18 GLU HB2 . 18 GLU HB2 1 1 210 1 1 1 1 18 GLU H . 18 GLU H 1 1 210 1 2 1 1 18 GLU HB2 . 18 GLU HB2 1 1 211 1 1 1 1 18 GLU HB2 . 18 GLU HB2 1 1 211 1 2 1 1 19 ARG H . 19 ARG H 1 1 212 1 1 1 1 18 GLU H . 18 GLU H 1 1 212 1 2 1 1 18 GLU HG2 . 18 GLU HG2 1 1 213 1 1 1 1 18 GLU H . 18 GLU H 1 1 213 1 2 1 1 18 GLU HG3 . 18 GLU HG3 1 1 214 1 1 1 1 15 ASP H . 15 ASP H 1 1 214 1 2 1 1 17 THR H . 17 THR H 1 1 215 1 1 1 1 17 THR H . 17 THR H 1 1 215 1 2 1 1 19 ARG H . 19 ARG H 1 1 216 1 1 1 1 18 GLU H . 18 GLU H 1 1 216 1 2 1 1 19 ARG H . 19 ARG H 1 1 217 1 1 1 1 19 ARG H . 19 ARG H 1 1 217 1 2 1 1 19 ARG HB2 . 19 ARG HB2 1 1 218 1 1 1 1 19 ARG H . 19 ARG H 1 1 218 1 2 1 1 19 ARG HB3 . 19 ARG HB3 1 1 219 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 219 1 2 1 1 15 ASP H . 15 ASP H 1 1 220 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 220 1 2 1 1 19 ARG QD . 19 ARG QD 1 1 221 1 1 1 1 19 ARG H . 19 ARG H 1 1 221 1 2 1 1 19 ARG QG . 19 ARG QG 1 1 222 1 1 2 2 1 DT H1' . 201 THY H1' 1 1 222 1 2 2 2 1 DT M7 . 201 THY Q7 1 1 223 1 1 2 2 1 DT H2'' . 201 THY H2" 1 1 223 1 2 2 2 1 DT H6 . 201 THY H6 1 1 224 1 1 2 2 1 DT H2' . 201 THY H2' 1 1 224 1 2 2 2 1 DT H6 . 201 THY H6 1 1 225 1 1 1 1 7 GLY H . 7 GLY H 1 1 225 1 2 1 1 8 LYS QG . 8 LYS QG 1 1 226 1 1 2 2 1 DT H3' . 201 THY H3' 1 1 226 1 2 2 2 1 DT H6 . 201 THY H6 1 1 227 1 1 2 2 1 DT H3' . 201 THY H3' 1 1 227 1 2 2 2 2 DA H8 . 202 ADE H8 1 1 228 1 1 2 2 2 DA H2'' . 202 ADE H2" 1 1 228 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 229 1 1 2 2 2 DA H3' . 202 ADE H3' 1 1 229 1 2 2 2 2 DA H8 . 202 ADE H8 1 1 230 1 1 2 2 2 DA H3' . 202 ADE H3' 1 1 230 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 231 1 1 2 2 2 DA H3' . 202 ADE H3' 1 1 231 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 232 1 1 2 2 2 DA H2' . 202 ADE H2' 1 1 232 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 233 1 1 1 1 17 THR H . 17 THR H 1 1 233 1 2 2 2 3 DC Q2' . 203 CYT H2' 1 1 234 1 1 1 1 17 THR H . 17 THR H 1 1 234 1 2 1 1 18 GLU HB2 . 18 GLU HB2 1 1 235 1 1 2 2 2 DA H8 . 202 ADE H8 1 1 235 1 2 2 2 3 DC Q2' . 203 CYT H2' 1 1 236 1 1 2 2 3 DC Q2' . 203 CYT H2' 1 1 236 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 237 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 237 1 2 2 2 3 DC Q2' . 203 CYT H2' 1 1 238 1 1 2 2 3 DC Q2' . 203 CYT H2' 1 1 238 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 239 1 1 2 2 3 DC H1' . 203 CYT H1' 1 1 239 1 2 2 2 3 DC H3' . 203 CYT H3' 1 1 240 1 1 2 2 3 DC H3' . 203 CYT H3' 1 1 240 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 241 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 241 1 2 1 1 17 THR HA . 17 THR HA 1 1 242 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 242 1 2 1 1 17 THR HA . 17 THR HA 1 1 243 1 1 1 1 17 THR HA . 17 THR HA 1 1 243 1 2 2 2 3 DC H1' . 203 CYT H1' 1 1 244 1 1 1 1 17 THR HA . 17 THR HA 1 1 244 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 245 1 1 1 1 17 THR HB . 17 THR HB 1 1 245 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 246 1 1 1 1 17 THR HA . 17 THR HA 1 1 246 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 247 1 1 2 2 2 DA H8 . 202 ADE H8 1 1 247 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 248 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 248 1 2 1 1 19 ARG HA . 19 ARG HA 1 1 249 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 249 1 2 2 2 3 DC H1' . 203 CYT H1' 1 1 250 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 250 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 251 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 251 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 252 1 1 2 2 2 DA H8 . 202 ADE H8 1 1 252 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 253 1 1 1 1 17 THR H . 17 THR H 1 1 253 1 2 2 2 4 DG H8 . 204 GUA H8 1 1 254 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 254 1 2 2 2 4 DG H1' . 204 GUA H1' 1 1 255 1 1 1 1 4 TRP HZ2 . 4 TRP HZ2 1 1 255 1 2 2 2 4 DG H1' . 204 GUA H1' 1 1 256 1 1 2 2 4 DG H2'' . 204 GUA H2" 1 1 256 1 2 2 2 4 DG H8 . 204 GUA H8 1 1 257 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 257 1 2 2 2 3 DC Q2' . 203 CYT H2" 1 1 258 1 1 1 1 4 TRP HZ2 . 4 TRP HZ2 1 1 258 1 2 2 2 3 DC Q2' . 203 CYT H2" 1 1 259 1 1 2 2 3 DC Q2' . 203 CYT H2" 1 1 259 1 2 2 2 4 DG H1' . 204 GUA H1' 1 1 260 1 1 2 2 4 DG H2' . 204 GUA H2' 1 1 260 1 2 2 2 4 DG H8 . 204 GUA H8 1 1 261 1 1 1 1 11 HIS QB . 11 HIS QB 1 1 261 1 2 1 1 15 ASP HA . 15 ASP HA 1 1 262 1 1 2 2 3 DC H3' . 203 CYT H3' 1 1 262 1 2 2 2 4 DG H1' . 204 GUA H1' 1 1 263 1 1 1 1 17 THR HA . 17 THR HA 1 1 263 1 2 2 2 3 DC H3' . 203 CYT H3' 1 1 264 1 1 1 1 17 THR HA . 17 THR HA 1 1 264 1 2 2 2 4 DG H3' . 204 GUA H3' 1 1 265 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 265 1 2 2 2 3 DC H3' . 203 CYT H3' 1 1 266 1 1 2 2 3 DC H3' . 203 CYT H3' 1 1 266 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 267 1 1 2 2 4 DG H3' . 204 GUA H3' 1 1 267 1 2 2 2 4 DG H8 . 204 GUA H8 1 1 268 1 1 1 1 17 THR HA . 17 THR HA 1 1 268 1 2 1 1 19 ARG H . 19 ARG H 1 1 269 1 1 1 1 17 THR HA . 17 THR HA 1 1 269 1 2 2 2 4 DG H1' . 204 GUA H1' 1 1 270 1 1 1 1 17 THR HA . 17 THR HA 1 1 270 1 2 2 2 3 DC Q2' . 203 CYT H2" 1 1 271 1 1 1 1 17 THR HA . 17 THR HA 1 1 271 1 2 2 2 4 DG H8 . 204 GUA H8 1 1 272 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 272 1 2 2 2 4 DG H1' . 204 GUA H1' 1 1 273 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 273 1 2 1 1 19 ARG HA . 19 ARG HA 1 1 274 1 1 1 1 17 THR HA . 17 THR HA 1 1 274 1 2 1 1 19 ARG HA . 19 ARG HA 1 1 275 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 275 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 276 1 1 1 1 3 CYS HA . 3 CYSZ HA 1 1 276 1 2 1 1 12 GLN HA . 12 GLN HA 1 1 277 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 277 1 2 2 2 5 DC Q2' . 205 CYT H2" 1 1 278 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 278 1 2 2 2 4 DG H1' . 204 GUA H1' 1 1 279 1 1 2 2 5 DC H5 . 205 CYT H5 1 1 279 1 2 2 2 6 DC H1' . 206 CYT H1' 1 1 280 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 280 1 2 2 2 5 DC H6 . 205 CYT H6 1 1 281 1 1 2 2 6 DC H3' . 206 CYT H3' 1 1 281 1 2 2 2 6 DC H6 . 206 CYT H6 1 1 282 1 1 2 2 6 DC H1' . 206 CYT H1' 1 1 282 1 2 2 2 6 DC H3' . 206 CYT H3' 1 1 283 1 1 2 2 6 DC H3' . 206 CYT H3' 1 1 283 1 2 2 2 6 DC H5 . 206 CYT H5 1 1 284 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 284 1 2 2 2 5 DC H1' . 205 CYT H1' 1 1 285 1 1 1 1 19 ARG HA . 19 ARG HA 1 1 285 1 2 2 2 5 DC H3' . 205 CYT H3' 1 1 286 1 1 2 2 5 DC H3' . 205 CYT H3' 1 1 286 1 2 2 2 5 DC H6 . 205 CYT H6 1 1 287 1 1 1 1 2 GLY QA . 2 GLY HA2 1 1 287 1 2 1 1 9 GLU QB . 9 GLU QB 1 1 288 1 1 1 1 2 GLY QA . 2 GLY HA2 1 1 288 1 2 1 1 9 GLU QG . 9 GLU QG 1 1 289 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 289 1 2 1 1 3 CYS QB . 3 CYSZ QB 1 1 290 1 1 1 1 2 GLY QA . 2 GLY HA3 1 1 290 1 2 1 1 8 LYS QB . 8 LYS QB 1 1 291 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 291 1 2 1 1 3 CYS QB . 3 CYSZ QB 1 1 292 1 1 1 1 3 CYS H . 3 CYSZ H 1 1 292 1 2 1 1 9 GLU QG . 9 GLU QG 1 1 293 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 293 1 2 1 1 4 TRP H . 4 TRP H 1 1 294 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 294 1 2 1 1 5 LYS H . 5 LYS H 1 1 295 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 295 1 2 1 1 6 CYS H . 6 CYSS H 1 1 296 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 296 1 2 1 1 6 CYS QB . 6 CYSS QB 1 1 297 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 297 1 2 1 1 7 GLY H . 7 GLY H 1 1 298 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 298 1 2 1 1 7 GLY HA2 . 7 GLY HA2 1 1 299 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 299 1 2 1 1 8 LYS H . 8 LYS H 1 1 300 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 300 1 2 1 1 8 LYS QB . 8 LYS QB 1 1 301 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 301 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 302 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 302 1 2 1 1 11 HIS QB . 11 HIS QB 1 1 303 1 1 1 1 3 CYS QB . 3 CYSZ QB 1 1 303 1 2 1 1 11 HIS HD2 . 11 HIS HD2 1 1 304 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 304 1 2 1 1 12 GLN QG . 12 GLN QG 1 1 305 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 305 1 2 1 1 12 GLN QG . 12 GLN QG 1 1 306 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 306 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 307 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 307 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 308 1 1 1 1 5 LYS H . 5 LYS H 1 1 308 1 2 1 1 6 CYS QB . 6 CYSS QB 1 1 309 1 1 1 1 5 LYS QG . 5 LYS QG 1 1 309 1 2 1 1 6 CYS QB . 6 CYSS QB 1 1 310 1 1 1 1 5 LYS QD . 5 LYS QD 1 1 310 1 2 1 1 6 CYS QB . 6 CYSS QB 1 1 311 1 1 1 1 6 CYS QB . 6 CYSS QB 1 1 311 1 2 1 1 7 GLY H . 7 GLY H 1 1 312 1 1 1 1 6 CYS QB . 6 CYSS QB 1 1 312 1 2 1 1 8 LYS H . 8 LYS H 1 1 313 1 1 1 1 6 CYS QB . 6 CYSS QB 1 1 313 1 2 1 1 8 LYS QB . 8 LYS QB 1 1 314 1 1 1 1 6 CYS QB . 6 CYSS QB 1 1 314 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 315 1 1 1 1 7 GLY H . 7 GLY H 1 1 315 1 2 1 1 8 LYS QB . 8 LYS QB 1 1 316 1 1 1 1 8 LYS H . 8 LYS H 1 1 316 1 2 1 1 8 LYS QB . 8 LYS QB 1 1 317 1 1 1 1 8 LYS QB . 8 LYS QB 1 1 317 1 2 1 1 8 LYS QE . 8 LYS QE 1 1 318 1 1 1 1 8 LYS QB . 8 LYS QB 1 1 318 1 2 1 1 8 LYS QZ . 8 LYS QZ 1 1 319 1 1 1 1 8 LYS QB . 8 LYS QB 1 1 319 1 2 1 1 10 GLY H . 10 GLY H 1 1 320 1 1 1 1 8 LYS QZ . 8 LYS QZ 1 1 320 1 2 1 1 10 GLY QA . 10 GLY QA 1 1 321 1 1 1 1 9 GLU HA . 9 GLU HA 1 1 321 1 2 1 1 9 GLU QG . 9 GLU QG 1 1 322 1 1 1 1 9 GLU HA . 9 GLU HA 1 1 322 1 2 1 1 10 GLY QA . 10 GLY QA 1 1 323 1 1 1 1 9 GLU QB . 9 GLU QB 1 1 323 1 2 1 1 10 GLY QA . 10 GLY QA 1 1 324 1 1 1 1 9 GLU QG . 9 GLU QG 1 1 324 1 2 1 1 10 GLY H . 10 GLY H 1 1 325 1 1 1 1 10 GLY QA . 10 GLY QA 1 1 325 1 2 1 1 11 HIS QB . 11 HIS QB 1 1 326 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 326 1 2 1 1 15 ASP QB . 15 ASP QB 1 1 327 1 1 1 1 11 HIS HD2 . 11 HIS HD2 1 1 327 1 2 1 1 18 GLU QG . 18 GLU QG 1 1 328 1 1 1 1 11 HIS HE1 . 11 HIS HE1 1 1 328 1 2 1 1 18 GLU QG . 18 GLU QG 1 1 329 1 1 1 1 12 GLN H . 12 GLN H 1 1 329 1 2 1 1 12 GLN QG . 12 GLN QG 1 1 330 1 1 1 1 12 GLN H . 12 GLN H 1 1 330 1 2 1 1 15 ASP QB . 15 ASP QB 1 1 331 1 1 1 1 12 GLN HA . 12 GLN HA 1 1 331 1 2 1 1 15 ASP QB . 15 ASP QB 1 1 332 1 1 1 1 12 GLN QG . 12 GLN QG 1 1 332 1 2 1 1 13 MET H . 13 MET H 1 1 333 1 1 1 1 13 MET HB3 . 13 MET HB3 1 1 333 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 334 1 1 1 1 13 MET HG2 . 13 MET HG2 1 1 334 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 335 1 1 1 1 14 LYS H . 14 LYS H 1 1 335 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 336 1 1 1 1 14 LYS QZ . 14 LYS QZ 1 1 336 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 337 1 1 1 1 15 ASP H . 15 ASP H 1 1 337 1 2 1 1 15 ASP QB . 15 ASP QB 1 1 338 1 1 1 1 15 ASP QB . 15 ASP QB 1 1 338 1 2 1 1 16 CYS H . 16 CYSS H 1 1 339 1 1 1 1 15 ASP QB . 15 ASP QB 1 1 339 1 2 1 1 16 CYS HA . 16 CYSS HA 1 1 340 1 1 1 1 15 ASP QB . 15 ASP QB 1 1 340 1 2 1 1 17 THR MG . 17 THR QG2 1 1 341 1 1 1 1 16 CYS HA . 16 CYSS HA 1 1 341 1 2 1 1 18 GLU QG . 18 GLU QG 1 1 342 1 1 1 1 16 CYS HB3 . 16 CYSS HB3 1 1 342 1 2 1 1 18 GLU QG . 18 GLU QG 1 1 343 1 1 1 1 17 THR H . 17 THR H 1 1 343 1 2 1 1 18 GLU QG . 18 GLU QG 1 1 344 1 1 1 1 17 THR HA . 17 THR HA 1 1 344 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 345 1 1 1 1 18 GLU H . 18 GLU H 1 1 345 1 2 1 1 18 GLU QG . 18 GLU QG 1 1 346 1 1 1 1 18 GLU QG . 18 GLU QG 1 1 346 1 2 1 1 19 ARG H . 19 ARG H 1 1 347 1 1 1 1 19 ARG H . 19 ARG H 1 1 347 1 2 1 1 19 ARG QB . 19 ARG QB 1 1 348 1 1 1 1 19 ARG QB . 19 ARG QB 1 1 348 1 2 1 1 19 ARG QD . 19 ARG QD 1 1 349 1 1 2 2 1 DT Q2' . 201 THY Q2' 1 1 349 1 2 2 2 1 DT M7 . 201 THY Q7 1 1 350 1 1 2 2 1 DT Q2' . 201 THY Q2' 1 1 350 1 2 2 2 1 DT H6 . 201 THY H6 1 1 351 1 1 2 2 1 DT Q2' . 201 THY Q2' 1 1 351 1 2 2 2 2 DA H8 . 202 ADE H8 1 1 352 1 1 2 2 2 DA Q2' . 202 ADE Q2' 1 1 352 1 2 2 2 2 DA H8 . 202 ADE H8 1 1 353 1 1 2 2 2 DA Q2' . 202 ADE Q2' 1 1 353 1 2 2 2 3 DC H5 . 203 CYT H5 1 1 354 1 1 2 2 2 DA Q2' . 202 ADE Q2' 1 1 354 1 2 2 2 3 DC H6 . 203 CYT H6 1 1 355 1 1 2 2 3 DC Q2' . 203 CYT H2' 1 1 355 1 2 2 2 4 DG Q2' . 204 GUA Q2' 1 1 356 1 1 2 2 4 DG Q2' . 204 GUA Q2' 1 1 356 1 2 2 2 4 DG H8 . 204 GUA H8 1 1 357 1 1 2 2 5 DC Q2' . 205 CYT Q2' 1 1 357 1 2 2 2 5 DC H5 . 205 CYT H5 1 1 358 1 1 2 2 5 DC Q2' . 205 CYT Q2' 1 1 358 1 2 2 2 5 DC H6 . 205 CYT H6 1 1 359 1 1 2 2 5 DC H5 . 205 CYT H5 1 1 359 1 2 2 2 6 DC Q2' . 206 CYT Q2' 1 1 360 1 1 2 2 6 DC Q2' . 206 CYT Q2' 1 1 360 1 2 2 2 6 DC H3' . 206 CYT H3' 1 1 361 1 1 2 2 6 DC Q2' . 206 CYT Q2' 1 1 361 1 2 2 2 6 DC H5 . 206 CYT H5 1 1 362 1 1 2 2 6 DC Q2' . 206 CYT Q2' 1 1 362 1 2 2 2 6 DC H6 . 206 CYT H6 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 5.1 1 1 2 1 . . . . . . . 4.5 1 1 3 1 . . . . . . . 5.5 1 1 4 1 . . . . . . . 3.85 1 1 5 1 . . . . . . . 3.66 1 1 6 1 . . . . . . . 5.5 1 1 7 1 . . . . . . . 4.63 1 1 8 1 . . . . . . . 5.28 1 1 9 1 . . . . . . . 5.36 1 1 10 1 . . . . . . . 3.51 1 1 11 1 . . . . . . . 5.5 1 1 12 1 . . . . . . . 3.29 1 1 13 1 . . . . . . . 5.5 1 1 14 1 . . . . . . . 4.02 1 1 15 1 . . . . . . . 4.32 1 1 16 1 . . . . . . . 5.5 1 1 17 1 . . . . . . . 4.86 1 1 18 1 . . . . . . . 4.86 1 1 19 1 . . . . . . . 4.5 1 1 20 1 . . . . . . . 5.5 1 1 21 1 . . . . . . . 3.96 1 1 22 1 . . . . . . . 4.63 1 1 23 1 . . . . . . . 3.78 1 1 24 1 . . . . . . . 4.82 1 1 25 1 . . . . . . . 5.06 1 1 26 1 . . . . . . . 5.4 1 1 27 1 . . . . . . . 4.55 1 1 28 1 . . . . . . . 4.95 1 1 29 1 . . . . . . . 5.5 1 1 30 1 . . . . . . . 5.5 1 1 31 1 . . . . . . . 3.66 1 1 32 1 . . . . . . . 3.96 1 1 33 1 . . . . . . . 4.78 1 1 34 1 . . . . . . . 5.5 1 1 35 1 . . . . . . . 5.5 1 1 36 1 . . . . . . . 3.66 1 1 37 1 . . . . . . . 4.1 1 1 38 1 . . . . . . . 3.96 1 1 39 1 . . . . . . . 4.06 1 1 40 1 . . . . . . . 5.5 1 1 41 1 . . . . . . . 4.78 1 1 42 1 . . . . . . . 4.81 1 1 43 1 . . . . . . . 3.52 1 1 44 1 . . . . . . . 5.32 1 1 45 1 . . . . . . . 3.85 1 1 46 1 . . . . . . . 4.04 1 1 47 1 . . . . . . . 3.68 1 1 48 1 . . . . . . . 3.47 1 1 49 1 . . . . . . . 4.51 1 1 50 1 . . . . . . . 4.03 1 1 51 1 . . . . . . . 5.29 1 1 52 1 . . . . . . . 3.59 1 1 53 1 . . . . . . . 3.45 1 1 54 1 . . . . . . . 3.57 1 1 55 1 . . . . . . . 4.19 1 1 56 1 . . . . . . . 3.05 1 1 57 1 . . . . . . . 4.06 1 1 58 1 . . . . . . . 4.15 1 1 59 1 . . . . . . . 3.27 1 1 60 1 . . . . . . . 4.4 1 1 61 1 . . . . . . . 4.9 1 1 62 1 . . . . . . . 4.9 1 1 63 1 . . . . . . . 4.93 1 1 64 1 . . . . . . . 3.58 1 1 65 1 . . . . . . . 5.5 1 1 66 1 . . . . . . . 5.34 1 1 67 1 . . . . . . . 5.49 1 1 68 1 . . . . . . . 5.5 1 1 69 1 . . . . . . . 3.89 1 1 70 1 . . . . . . . 4.12 1 1 71 1 . . . . . . . 3.89 1 1 72 1 . . . . . . . 4.12 1 1 73 1 . . . . . . . 4.49 1 1 74 1 . . . . . . . 4.29 1 1 75 1 . . . . . . . 4.36 1 1 76 1 . . . . . . . 3.45 1 1 77 1 . . . . . . . 3.76 1 1 78 1 . . . . . . . 5.41 1 1 79 1 . . . . . . . 5.5 1 1 80 1 . . . . . . . 5.5 1 1 81 1 . . . . . . . 5.5 1 1 82 1 . . . . . . . 4.88 1 1 83 1 . . . . . . . 5.16 1 1 84 1 . . . . . . . 3.72 1 1 85 1 . . . . . . . 5.3 1 1 86 1 . . . . . . . 3.72 1 1 87 1 . . . . . . . 4.34 1 1 88 1 . . . . . . . 5.5 1 1 89 1 . . . . . . . 4.11 1 1 90 1 . . . . . . . 5.5 1 1 91 1 . . . . . . . 4.7 1 1 92 1 . . . . . . . 2.7 1 1 93 1 . . . . . . . 2.7 1 1 94 1 . . . . . . . 4.7 1 1 95 1 . . . . . . . 3.68 1 1 96 1 . . . . . . . 4.12 1 1 97 1 . . . . . . . 3.32 1 1 98 1 . . . . . . . 4.06 1 1 99 1 . . . . . . . 4.1 1 1 100 1 . . . . . . . 3.96 1 1 101 1 . . . . . . . 3.96 1 1 102 1 . . . . . . . 4.8 1 1 103 1 . . . . . . . 5.5 1 1 104 1 . . . . . . . 5.5 1 1 105 1 . . . . . . . 3.99 1 1 106 1 . . . . . . . 4.06 1 1 107 1 . . . . . . . 4.29 1 1 108 1 . . . . . . . 2.8 1 1 109 1 . . . . . . . 3.36 1 1 110 1 . . . . . . . 4.2 1 1 111 1 . . . . . . . 5.27 1 1 112 1 . . . . . . . 4.15 1 1 113 1 . . . . . . . 4.87 1 1 114 1 . . . . . . . 4.57 1 1 115 1 . . . . . . . 5.36 1 1 116 1 . . . . . . . 4.86 1 1 117 1 . . . . . . . 3.36 1 1 118 1 . . . . . . . 3.13 1 1 119 1 . . . . . . . 4.97 1 1 120 1 . . . . . . . 4.89 1 1 121 1 . . . . . . . 4.46 1 1 122 1 . . . . . . . 4.24 1 1 123 1 . . . . . . . 5.32 1 1 124 1 . . . . . . . 3.38 1 1 125 1 . . . . . . . 3.32 1 1 126 1 . . . . . . . 2.55 1 1 127 1 . . . . . . . 3.75 1 1 128 1 . . . . . . . 5.37 1 1 129 1 . . . . . . . 5.5 1 1 130 1 . . . . . . . 5.47 1 1 131 1 . . . . . . . 4.47 1 1 132 1 . . . . . . . 4.85 1 1 133 1 . . . . . . . 2.55 1 1 134 1 . . . . . . . 3.59 1 1 135 1 . . . . . . . 3.87 1 1 136 1 . . . . . . . 4.07 1 1 137 1 . . . . . . . 4.57 1 1 138 1 . . . . . . . 3.34 1 1 139 1 . . . . . . . 3.14 1 1 140 1 . . . . . . . 5.5 1 1 141 1 . . . . . . . 3.82 1 1 142 1 . . . . . . . 4.19 1 1 143 1 . . . . . . . 5.5 1 1 144 1 . . . . . . . 3.97 1 1 145 1 . . . . . . . 5.16 1 1 146 1 . . . . . . . 5.5 1 1 147 1 . . . . . . . 3.63 1 1 148 1 . . . . . . . 4.39 1 1 149 1 . . . . . . . 3.52 1 1 150 1 . . . . . . . 4.09 1 1 151 1 . . . . . . . 3.99 1 1 152 1 . . . . . . . 4.45 1 1 153 1 . . . . . . . 3.79 1 1 154 1 . . . . . . . 4.12 1 1 155 1 . . . . . . . 3.94 1 1 156 1 . . . . . . . 4.61 1 1 157 1 . . . . . . . 5.33 1 1 158 1 . . . . . . . 3.32 1 1 159 1 . . . . . . . 4.86 1 1 160 1 . . . . . . . 4.88 1 1 161 1 . . . . . . . 2.87 1 1 162 1 . . . . . . . 2.42 1 1 163 1 . . . . . . . 4.52 1 1 164 1 . . . . . . . 3.4 1 1 165 1 . . . . . . . 5.28 1 1 166 1 . . . . . . . 4.24 1 1 167 1 . . . . . . . 4.14 1 1 168 1 . . . . . . . 2.71 1 1 169 1 . . . . . . . 4.29 1 1 170 1 . . . . . . . 3.81 1 1 171 1 . . . . . . . 4.56 1 1 172 1 . . . . . . . 3.96 1 1 173 1 . . . . . . . 5.5 1 1 174 1 . . . . . . . 3.41 1 1 175 1 . . . . . . . 4.25 1 1 176 1 . . . . . . . 3.72 1 1 177 1 . . . . . . . 3.98 1 1 178 1 . . . . . . . 3.41 1 1 179 1 . . . . . . . 4.25 1 1 180 1 . . . . . . . 3.72 1 1 181 1 . . . . . . . 3.53 1 1 182 1 . . . . . . . 4.41 1 1 183 1 . . . . . . . 5.5 1 1 184 1 . . . . . . . 5.5 1 1 185 1 . . . . . . . 3.54 1 1 186 1 . . . . . . . 5.44 1 1 187 1 . . . . . . . 5.13 1 1 188 1 . . . . . . . 4.17 1 1 189 1 . . . . . . . 3.25 1 1 190 1 . . . . . . . 3.54 1 1 191 1 . . . . . . . 4.7 1 1 192 1 . . . . . . . 3.93 1 1 193 1 . . . . . . . 5.18 1 1 194 1 . . . . . . . 5.5 1 1 195 1 . . . . . . . 3.37 1 1 196 1 . . . . . . . 5.5 1 1 197 1 . . . . . . . 3.96 1 1 198 1 . . . . . . . 3.49 1 1 199 1 . . . . . . . 4.83 1 1 200 1 . . . . . . . 5.5 1 1 201 1 . . . . . . . 4.74 1 1 202 1 . . . . . . . 4.14 1 1 203 1 . . . . . . . 5.5 1 1 204 1 . . . . . . . 3.79 1 1 205 1 . . . . . . . 4.49 1 1 206 1 . . . . . . . 3.19 1 1 207 1 . . . . . . . 4.9 1 1 208 1 . . . . . . . 5.3 1 1 209 1 . . . . . . . 4.97 1 1 210 1 . . . . . . . 3.83 1 1 211 1 . . . . . . . 4.12 1 1 212 1 . . . . . . . 4.5 1 1 213 1 . . . . . . . 4.5 1 1 214 1 . . . . . . . 5.1 1 1 215 1 . . . . . . . 5.4 1 1 216 1 . . . . . . . 4.21 1 1 217 1 . . . . . . . 3.95 1 1 218 1 . . . . . . . 3.95 1 1 219 1 . . . . . . . 4.49 1 1 220 1 . . . . . . . 4.37 1 1 221 1 . . . . . . . 4.16 1 1 222 1 . . . . . . . 5.5 1 1 223 1 . . . . . . . 3.84 1 1 224 1 . . . . . . . 3.84 1 1 225 1 . . . . . . . 4.31 1 1 226 1 . . . . . . . 4.73 1 1 227 1 . . . . . . . 4.56 1 1 228 1 . . . . . . . 5.22 1 1 229 1 . . . . . . . 4.81 1 1 230 1 . . . . . . . 4.97 1 1 231 1 . . . . . . . 5.06 1 1 232 1 . . . . . . . 5.22 1 1 233 1 . . . . . . . 5.5 1 1 234 1 . . . . . . . 5.5 1 1 235 1 . . . . . . . 5.5 1 1 236 1 . . . . . . . 4.46 1 1 237 1 . . . . . . . 3.65 1 1 238 1 . . . . . . . 3.35 1 1 239 1 . . . . . . . 4.15 1 1 240 1 . . . . . . . 5.5 1 1 241 1 . . . . . . . 5.15 1 1 242 1 . . . . . . . 3.46 1 1 243 1 . . . . . . . 5.5 1 1 244 1 . . . . . . . 5.5 1 1 245 1 . . . . . . . 5.5 1 1 246 1 . . . . . . . 4.63 1 1 247 1 . . . . . . . 3.12 1 1 248 1 . . . . . . . 3.51 1 1 249 1 . . . . . . . 2.75 1 1 250 1 . . . . . . . 5.5 1 1 251 1 . . . . . . . 4.96 1 1 252 1 . . . . . . . 3.94 1 1 253 1 . . . . . . . 5.5 1 1 254 1 . . . . . . . 5.27 1 1 255 1 . . . . . . . 5.5 1 1 256 1 . . . . . . . 4.24 1 1 257 1 . . . . . . . 3.13 1 1 258 1 . . . . . . . 4.99 1 1 259 1 . . . . . . . 3.66 1 1 260 1 . . . . . . . 4.24 1 1 261 1 . . . . . . . 5.09 1 1 262 1 . . . . . . . 4.59 1 1 263 1 . . . . . . . 5.5 1 1 264 1 . . . . . . . 5.5 1 1 265 1 . . . . . . . 5.5 1 1 266 1 . . . . . . . 3.74 1 1 267 1 . . . . . . . 4.3 1 1 268 1 . . . . . . . 4.86 1 1 269 1 . . . . . . . 4.33 1 1 270 1 . . . . . . . 5.5 1 1 271 1 . . . . . . . 3.26 1 1 272 1 . . . . . . . 4.95 1 1 273 1 . . . . . . . 3.51 1 1 274 1 . . . . . . . 4.93 1 1 275 1 . . . . . . . 4.01 1 1 276 1 . . . . . . . 3.65 1 1 277 1 . . . . . . . 3.59 1 1 278 1 . . . . . . . 4.07 1 1 279 1 . . . . . . . 5.5 1 1 280 1 . . . . . . . 4.63 1 1 281 1 . . . . . . . 4.13 1 1 282 1 . . . . . . . 2.84 1 1 283 1 . . . . . . . 5.5 1 1 284 1 . . . . . . . 4.69 1 1 285 1 . . . . . . . 5.5 1 1 286 1 . . . . . . . 4.56 1 1 287 1 . . . . . . . 4.22 1 1 288 1 . . . . . . . 4.11 1 1 289 1 . . . . . . . 4.69 1 1 290 1 . . . . . . . 5.34 1 1 291 1 . . . . . . . 3.1 1 1 292 1 . . . . . . . 5.34 1 1 293 1 . . . . . . . 3.66 1 1 294 1 . . . . . . . 3.32 1 1 295 1 . . . . . . . 3.41 1 1 296 1 . . . . . . . 3.8 1 1 297 1 . . . . . . . 3.47 1 1 298 1 . . . . . . . 4.0 1 1 299 1 . . . . . . . 3.42 1 1 300 1 . . . . . . . 4.85 1 1 301 1 . . . . . . . 4.09 1 1 302 1 . . . . . . . 5.34 1 1 303 1 . . . . . . . 3.71 1 1 304 1 . . . . . . . 5.34 1 1 305 1 . . . . . . . 5.34 1 1 306 1 . . . . . . . 3.75 1 1 307 1 . . . . . . . 5.35 1 1 308 1 . . . . . . . 5.34 1 1 309 1 . . . . . . . 4.21 1 1 310 1 . . . . . . . 4.36 1 1 311 1 . . . . . . . 3.38 1 1 312 1 . . . . . . . 3.95 1 1 313 1 . . . . . . . 4.59 1 1 314 1 . . . . . . . 4.55 1 1 315 1 . . . . . . . 4.47 1 1 316 1 . . . . . . . 2.94 1 1 317 1 . . . . . . . 3.3 1 1 318 1 . . . . . . . 2.93 1 1 319 1 . . . . . . . 3.45 1 1 320 1 . . . . . . . 5.25 1 1 321 1 . . . . . . . 3.71 1 1 322 1 . . . . . . . 4.68 1 1 323 1 . . . . . . . 4.7 1 1 324 1 . . . . . . . 5.21 1 1 325 1 . . . . . . . 4.72 1 1 326 1 . . . . . . . 4.11 1 1 327 1 . . . . . . . 5.34 1 1 328 1 . . . . . . . 5.34 1 1 329 1 . . . . . . . 4.46 1 1 330 1 . . . . . . . 3.68 1 1 331 1 . . . . . . . 5.08 1 1 332 1 . . . . . . . 3.07 1 1 333 1 . . . . . . . 4.39 1 1 334 1 . . . . . . . 3.53 1 1 335 1 . . . . . . . 5.35 1 1 336 1 . . . . . . . 5.35 1 1 337 1 . . . . . . . 3.19 1 1 338 1 . . . . . . . 4.21 1 1 339 1 . . . . . . . 5.34 1 1 340 1 . . . . . . . 5.34 1 1 341 1 . . . . . . . 5.34 1 1 342 1 . . . . . . . 4.25 1 1 343 1 . . . . . . . 4.35 1 1 344 1 . . . . . . . 3.37 1 1 345 1 . . . . . . . 3.66 1 1 346 1 . . . . . . . 4.88 1 1 347 1 . . . . . . . 3.46 1 1 348 1 . . . . . . . 2.58 1 1 349 1 . . . . . . . 5.35 1 1 350 1 . . . . . . . 3.13 1 1 351 1 . . . . . . . 3.98 1 1 352 1 . . . . . . . 3.03 1 1 353 1 . . . . . . . 4.37 1 1 354 1 . . . . . . . 4.4 1 1 355 1 . . . . . . . 5.35 1 1 356 1 . . . . . . . 3.53 1 1 357 1 . . . . . . . 4.75 1 1 358 1 . . . . . . . 3.12 1 1 359 1 . . . . . . . 4.32 1 1 360 1 . . . . . . . 2.53 1 1 361 1 . . . . . . . 5.28 1 1 362 1 . . . . . . . 3.33 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 CYS SG . 3 CYSZ SG 1 2 1 1 2 1 1 6 CYS SG . 6 CYSS SG 1 2 2 1 1 1 1 3 CYS SG . 3 CYSZ SG 1 2 2 1 2 1 1 11 HIS NE2 . 11 HIS NE2 1 2 3 1 1 1 1 3 CYS SG . 3 CYSZ SG 1 2 3 1 2 1 1 16 CYS SG . 16 CYSS SG 1 2 4 1 1 1 1 6 CYS SG . 6 CYSS SG 1 2 4 1 2 1 1 11 HIS NE2 . 11 HIS NE2 1 2 5 1 1 1 1 6 CYS SG . 6 CYSS SG 1 2 5 1 2 1 1 16 CYS SG . 16 CYSS SG 1 2 6 1 1 1 1 11 HIS NE2 . 11 HIS NE2 1 2 6 1 2 1 1 16 CYS SG . 16 CYSS SG 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 3.55 1 2 2 1 . . . . . . . 3.65 1 2 3 1 . . . . . . . 3.55 1 2 4 1 . . . . . . . 3.65 1 2 5 1 . . . . . . . 3.55 1 2 6 1 . . . . . . . 3.75 1 2 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 CHI1 1 1 1 LYS N 1 1 1 LYS CA 1 1 1 LYS CB 1 1 1 LYS CG -89.99999 210.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 2 CHI1 1 1 1 LYS N 1 1 1 LYS CA 1 1 1 LYS CB 1 1 1 LYS CG -330.0 -30.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 3 CHI1 1 1 1 LYS N 1 1 1 LYS CA 1 1 1 LYS CB 1 1 1 LYS CG -210.0 89.99999 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 4 CHI2 1 1 1 LYS CA 1 1 1 LYS CB 1 1 1 LYS CG 1 1 1 LYS CD -89.99999 210.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 5 CHI2 1 1 1 LYS CA 1 1 1 LYS CB 1 1 1 LYS CG 1 1 1 LYS CD -330.0 -30.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 6 CHI2 1 1 1 LYS CA 1 1 1 LYS CB 1 1 1 LYS CG 1 1 1 LYS CD -210.0 89.99999 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 7 CHI3 1 1 1 LYS CB 1 1 1 LYS CG 1 1 1 LYS CD 1 1 1 LYS CE -89.99999 210.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 8 CHI3 1 1 1 LYS CB 1 1 1 LYS CG 1 1 1 LYS CD 1 1 1 LYS CE -330.0 -30.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 9 CHI3 1 1 1 LYS CB 1 1 1 LYS CG 1 1 1 LYS CD 1 1 1 LYS CE -210.0 89.99999 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 10 CHI4 1 1 1 LYS CG 1 1 1 LYS CD 1 1 1 LYS CE 1 1 1 LYS NZ -89.99999 210.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 11 CHI4 1 1 1 LYS CG 1 1 1 LYS CD 1 1 1 LYS CE 1 1 1 LYS NZ -330.0 -30.0 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 12 CHI4 1 1 1 LYS CG 1 1 1 LYS CD 1 1 1 LYS CE 1 1 1 LYS NZ -210.0 89.99999 . 1 LYS . . 1 LYS . . 1 LYS . . 1 LYS . 1 1 13 CHI1 1 1 4 TRP N 1 1 4 TRP CA 1 1 4 TRP CB 1 1 4 TRP CG -89.99999 210.0 . 4 TRP . . 4 TRP . . 4 TRP . . 4 TRP . 1 1 14 CHI1 1 1 4 TRP N 1 1 4 TRP CA 1 1 4 TRP CB 1 1 4 TRP CG -330.0 -30.0 . 4 TRP . . 4 TRP . . 4 TRP . . 4 TRP . 1 1 15 CHI1 1 1 4 TRP N 1 1 4 TRP CA 1 1 4 TRP CB 1 1 4 TRP CG -210.0 89.99999 . 4 TRP . . 4 TRP . . 4 TRP . . 4 TRP . 1 1 16 CHI1 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS CB 1 1 5 LYS CG -89.99999 210.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 17 CHI1 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS CB 1 1 5 LYS CG -330.0 -30.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 18 CHI1 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS CB 1 1 5 LYS CG -210.0 89.99999 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 19 CHI2 1 1 5 LYS CA 1 1 5 LYS CB 1 1 5 LYS CG 1 1 5 LYS CD -89.99999 210.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 20 CHI2 1 1 5 LYS CA 1 1 5 LYS CB 1 1 5 LYS CG 1 1 5 LYS CD -330.0 -30.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 21 CHI2 1 1 5 LYS CA 1 1 5 LYS CB 1 1 5 LYS CG 1 1 5 LYS CD -210.0 89.99999 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 22 CHI3 1 1 5 LYS CB 1 1 5 LYS CG 1 1 5 LYS CD 1 1 5 LYS CE -89.99999 210.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 23 CHI3 1 1 5 LYS CB 1 1 5 LYS CG 1 1 5 LYS CD 1 1 5 LYS CE -330.0 -30.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 24 CHI3 1 1 5 LYS CB 1 1 5 LYS CG 1 1 5 LYS CD 1 1 5 LYS CE -210.0 89.99999 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 25 CHI4 1 1 5 LYS CG 1 1 5 LYS CD 1 1 5 LYS CE 1 1 5 LYS NZ -89.99999 210.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 26 CHI4 1 1 5 LYS CG 1 1 5 LYS CD 1 1 5 LYS CE 1 1 5 LYS NZ -330.0 -30.0 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 27 CHI4 1 1 5 LYS CG 1 1 5 LYS CD 1 1 5 LYS CE 1 1 5 LYS NZ -210.0 89.99999 . 5 LYS . . 5 LYS . . 5 LYS . . 5 LYS . 1 1 28 CHI1 1 1 6 CYS N 1 1 6 CYS CA 1 1 6 CYS CB 1 1 6 CYS SG -89.99999 210.0 . 6 CYSS . . 6 CYSS . . 6 CYSS . . 6 CYSS . 1 1 29 CHI1 1 1 6 CYS N 1 1 6 CYS CA 1 1 6 CYS CB 1 1 6 CYS SG -330.0 -30.0 . 6 CYSS . . 6 CYSS . . 6 CYSS . . 6 CYSS . 1 1 30 CHI1 1 1 6 CYS N 1 1 6 CYS CA 1 1 6 CYS CB 1 1 6 CYS SG -210.0 89.99999 . 6 CYSS . . 6 CYSS . . 6 CYSS . . 6 CYSS . 1 1 31 CHI1 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS CB 1 1 8 LYS CG -89.99999 210.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 32 CHI1 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS CB 1 1 8 LYS CG -330.0 -30.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 33 CHI1 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS CB 1 1 8 LYS CG -210.0 89.99999 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 34 CHI2 1 1 8 LYS CA 1 1 8 LYS CB 1 1 8 LYS CG 1 1 8 LYS CD -89.99999 210.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 35 CHI2 1 1 8 LYS CA 1 1 8 LYS CB 1 1 8 LYS CG 1 1 8 LYS CD -330.0 -30.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 36 CHI2 1 1 8 LYS CA 1 1 8 LYS CB 1 1 8 LYS CG 1 1 8 LYS CD -210.0 89.99999 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 37 CHI3 1 1 8 LYS CB 1 1 8 LYS CG 1 1 8 LYS CD 1 1 8 LYS CE -89.99999 210.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 38 CHI3 1 1 8 LYS CB 1 1 8 LYS CG 1 1 8 LYS CD 1 1 8 LYS CE -330.0 -30.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 39 CHI3 1 1 8 LYS CB 1 1 8 LYS CG 1 1 8 LYS CD 1 1 8 LYS CE -210.0 89.99999 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 40 CHI4 1 1 8 LYS CG 1 1 8 LYS CD 1 1 8 LYS CE 1 1 8 LYS NZ -89.99999 210.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 41 CHI4 1 1 8 LYS CG 1 1 8 LYS CD 1 1 8 LYS CE 1 1 8 LYS NZ -330.0 -30.0 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 42 CHI4 1 1 8 LYS CG 1 1 8 LYS CD 1 1 8 LYS CE 1 1 8 LYS NZ -210.0 89.99999 . 8 LYS . . 8 LYS . . 8 LYS . . 8 LYS . 1 1 43 CHI1 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG -89.99999 210.0 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 1 1 44 CHI1 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG -330.0 -30.0 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 1 1 45 CHI1 1 1 9 GLU N 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG -210.0 89.99999 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 1 1 46 CHI2 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG 1 1 9 GLU CD -89.99999 210.0 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 1 1 47 CHI2 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG 1 1 9 GLU CD -330.0 -30.0 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 1 1 48 CHI2 1 1 9 GLU CA 1 1 9 GLU CB 1 1 9 GLU CG 1 1 9 GLU CD -210.0 89.99999 . 9 GLU . . 9 GLU . . 9 GLU . . 9 GLU . 1 1 49 CHI1 1 1 11 HIS N 1 1 11 HIS CA 1 1 11 HIS CB 1 1 11 HIS CG -89.99999 210.0 . 11 HIS . . 11 HIS . . 11 HIS . . 11 HIS . 1 1 50 CHI1 1 1 11 HIS N 1 1 11 HIS CA 1 1 11 HIS CB 1 1 11 HIS CG -330.0 -30.0 . 11 HIS . . 11 HIS . . 11 HIS . . 11 HIS . 1 1 51 CHI1 1 1 11 HIS N 1 1 11 HIS CA 1 1 11 HIS CB 1 1 11 HIS CG -210.0 89.99999 . 11 HIS . . 11 HIS . . 11 HIS . . 11 HIS . 1 1 52 CHI1 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG -89.99999 210.0 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 1 1 53 CHI1 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG -330.0 -30.0 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 1 1 54 CHI1 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG -210.0 89.99999 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 1 1 55 CHI2 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG 1 1 12 GLN CD -89.99999 210.0 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 1 1 56 CHI2 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG 1 1 12 GLN CD -330.0 -30.0 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 1 1 57 CHI2 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG 1 1 12 GLN CD -210.0 89.99999 . 12 GLN . . 12 GLN . . 12 GLN . . 12 GLN . 1 1 58 CHI1 1 1 13 MET N 1 1 13 MET CA 1 1 13 MET CB 1 1 13 MET CG -89.99999 210.0 . 13 MET . . 13 MET . . 13 MET . . 13 MET . 1 1 59 CHI1 1 1 13 MET N 1 1 13 MET CA 1 1 13 MET CB 1 1 13 MET CG -330.0 -30.0 . 13 MET . . 13 MET . . 13 MET . . 13 MET . 1 1 60 CHI1 1 1 13 MET N 1 1 13 MET CA 1 1 13 MET CB 1 1 13 MET CG -210.0 89.99999 . 13 MET . . 13 MET . . 13 MET . . 13 MET . 1 1 61 CHI2 1 1 13 MET CA 1 1 13 MET CB 1 1 13 MET CG 1 1 13 MET SD -89.99999 210.0 . 13 MET . . 13 MET . . 13 MET . . 13 MET . 1 1 62 CHI2 1 1 13 MET CA 1 1 13 MET CB 1 1 13 MET CG 1 1 13 MET SD -330.0 -30.0 . 13 MET . . 13 MET . . 13 MET . . 13 MET . 1 1 63 CHI2 1 1 13 MET CA 1 1 13 MET CB 1 1 13 MET CG 1 1 13 MET SD -210.0 89.99999 . 13 MET . . 13 MET . . 13 MET . . 13 MET . 1 1 64 CHI1 1 1 14 LYS N 1 1 14 LYS CA 1 1 14 LYS CB 1 1 14 LYS CG -89.99999 210.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 65 CHI1 1 1 14 LYS N 1 1 14 LYS CA 1 1 14 LYS CB 1 1 14 LYS CG -330.0 -30.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 66 CHI1 1 1 14 LYS N 1 1 14 LYS CA 1 1 14 LYS CB 1 1 14 LYS CG -210.0 89.99999 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 67 CHI2 1 1 14 LYS CA 1 1 14 LYS CB 1 1 14 LYS CG 1 1 14 LYS CD -89.99999 210.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 68 CHI2 1 1 14 LYS CA 1 1 14 LYS CB 1 1 14 LYS CG 1 1 14 LYS CD -330.0 -30.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 69 CHI2 1 1 14 LYS CA 1 1 14 LYS CB 1 1 14 LYS CG 1 1 14 LYS CD -210.0 89.99999 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 70 CHI3 1 1 14 LYS CB 1 1 14 LYS CG 1 1 14 LYS CD 1 1 14 LYS CE -89.99999 210.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 71 CHI3 1 1 14 LYS CB 1 1 14 LYS CG 1 1 14 LYS CD 1 1 14 LYS CE -330.0 -30.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 72 CHI3 1 1 14 LYS CB 1 1 14 LYS CG 1 1 14 LYS CD 1 1 14 LYS CE -210.0 89.99999 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 73 CHI4 1 1 14 LYS CG 1 1 14 LYS CD 1 1 14 LYS CE 1 1 14 LYS NZ -89.99999 210.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 74 CHI4 1 1 14 LYS CG 1 1 14 LYS CD 1 1 14 LYS CE 1 1 14 LYS NZ -330.0 -30.0 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 75 CHI4 1 1 14 LYS CG 1 1 14 LYS CD 1 1 14 LYS CE 1 1 14 LYS NZ -210.0 89.99999 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 76 CHI1 1 1 15 ASP N 1 1 15 ASP CA 1 1 15 ASP CB 1 1 15 ASP CG -89.99999 210.0 . 15 ASP . . 15 ASP . . 15 ASP . . 15 ASP . 1 1 77 CHI1 1 1 15 ASP N 1 1 15 ASP CA 1 1 15 ASP CB 1 1 15 ASP CG -330.0 -30.0 . 15 ASP . . 15 ASP . . 15 ASP . . 15 ASP . 1 1 78 CHI1 1 1 15 ASP N 1 1 15 ASP CA 1 1 15 ASP CB 1 1 15 ASP CG -210.0 89.99999 . 15 ASP . . 15 ASP . . 15 ASP . . 15 ASP . 1 1 79 CHI1 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS CB 1 1 16 CYS SG -89.99999 210.0 . 16 CYSS . . 16 CYSS . . 16 CYSS . . 16 CYSS . 1 1 80 CHI1 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS CB 1 1 16 CYS SG -330.0 -30.0 . 16 CYSS . . 16 CYSS . . 16 CYSS . . 16 CYSS . 1 1 81 CHI1 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS CB 1 1 16 CYS SG -210.0 89.99999 . 16 CYSS . . 16 CYSS . . 16 CYSS . . 16 CYSS . 1 1 82 CHI1 1 1 17 THR N 1 1 17 THR CA 1 1 17 THR CB 1 1 17 THR OG1 -89.99999 210.0 . 17 THR . . 17 THR . . 17 THR . . 17 THR . 1 1 83 CHI1 1 1 17 THR N 1 1 17 THR CA 1 1 17 THR CB 1 1 17 THR OG1 -330.0 -30.0 . 17 THR . . 17 THR . . 17 THR . . 17 THR . 1 1 84 CHI1 1 1 17 THR N 1 1 17 THR CA 1 1 17 THR CB 1 1 17 THR OG1 -210.0 89.99999 . 17 THR . . 17 THR . . 17 THR . . 17 THR . 1 1 85 CHI1 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU CB 1 1 18 GLU CG -89.99999 210.0 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 86 CHI1 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU CB 1 1 18 GLU CG -330.0 -30.0 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 87 CHI1 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU CB 1 1 18 GLU CG -210.0 89.99999 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 88 CHI2 1 1 18 GLU CA 1 1 18 GLU CB 1 1 18 GLU CG 1 1 18 GLU CD -89.99999 210.0 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 89 CHI2 1 1 18 GLU CA 1 1 18 GLU CB 1 1 18 GLU CG 1 1 18 GLU CD -330.0 -30.0 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 90 CHI2 1 1 18 GLU CA 1 1 18 GLU CB 1 1 18 GLU CG 1 1 18 GLU CD -210.0 89.99999 . 18 GLU . . 18 GLU . . 18 GLU . . 18 GLU . 1 1 91 CHI1 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG CB 1 1 19 ARG CG -89.99999 210.0 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 92 CHI1 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG CB 1 1 19 ARG CG -330.0 -30.0 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 93 CHI1 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG CB 1 1 19 ARG CG -210.0 89.99999 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 94 CHI2 1 1 19 ARG CA 1 1 19 ARG CB 1 1 19 ARG CG 1 1 19 ARG CD -89.99999 210.0 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 95 CHI2 1 1 19 ARG CA 1 1 19 ARG CB 1 1 19 ARG CG 1 1 19 ARG CD -330.0 -30.0 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 96 CHI2 1 1 19 ARG CA 1 1 19 ARG CB 1 1 19 ARG CG 1 1 19 ARG CD -210.0 89.99999 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 97 CHI3 1 1 19 ARG CB 1 1 19 ARG CG 1 1 19 ARG CD 1 1 19 ARG NE -89.99999 210.0 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 98 CHI3 1 1 19 ARG CB 1 1 19 ARG CG 1 1 19 ARG CD 1 1 19 ARG NE -330.0 -30.0 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 99 CHI3 1 1 19 ARG CB 1 1 19 ARG CG 1 1 19 ARG CD 1 1 19 ARG NE -210.0 89.99999 . 19 ARG . . 19 ARG . . 19 ARG . . 19 ARG . 1 1 100 GAMMA 2 2 1 DT O5' 2 2 1 DT C5' 2 2 1 DT C4' 2 2 1 DT C3' -89.99999 210.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 101 GAMMA 2 2 1 DT O5' 2 2 1 DT C5' 2 2 1 DT C4' 2 2 1 DT C3' -330.0 -30.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 102 GAMMA 2 2 1 DT O5' 2 2 1 DT C5' 2 2 1 DT C4' 2 2 1 DT C3' -210.0 89.99999 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 103 DELTA 2 2 1 DT C5' 2 2 1 DT C4' 2 2 1 DT C3' 2 2 1 DT O3' -89.99999 210.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 104 DELTA 2 2 1 DT C5' 2 2 1 DT C4' 2 2 1 DT C3' 2 2 1 DT O3' -330.0 -30.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 105 DELTA 2 2 1 DT C5' 2 2 1 DT C4' 2 2 1 DT C3' 2 2 1 DT O3' -210.0 89.99999 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 106 NU2 2 2 1 DT C4' 2 2 1 DT C3' 2 2 1 DT C2' 2 2 1 DT C1' -89.99999 210.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 107 NU2 2 2 1 DT C4' 2 2 1 DT C3' 2 2 1 DT C2' 2 2 1 DT C1' -330.0 -30.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 108 NU2 2 2 1 DT C4' 2 2 1 DT C3' 2 2 1 DT C2' 2 2 1 DT C1' -210.0 89.99999 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 109 NU1 2 2 1 DT C3' 2 2 1 DT C2' 2 2 1 DT C1' 2 2 1 DT O4' -89.99999 210.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 110 NU1 2 2 1 DT C3' 2 2 1 DT C2' 2 2 1 DT C1' 2 2 1 DT O4' -330.0 -30.0 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 111 NU1 2 2 1 DT C3' 2 2 1 DT C2' 2 2 1 DT C1' 2 2 1 DT O4' -210.0 89.99999 . 201 THY . . 201 THY . . 201 THY . . 201 THY . 1 1 112 GAMMA 2 2 2 DA O5' 2 2 2 DA C5' 2 2 2 DA C4' 2 2 2 DA C3' -89.99999 210.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 113 GAMMA 2 2 2 DA O5' 2 2 2 DA C5' 2 2 2 DA C4' 2 2 2 DA C3' -330.0 -30.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 114 GAMMA 2 2 2 DA O5' 2 2 2 DA C5' 2 2 2 DA C4' 2 2 2 DA C3' -210.0 89.99999 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 115 DELTA 2 2 2 DA C5' 2 2 2 DA C4' 2 2 2 DA C3' 2 2 2 DA O3' -89.99999 210.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 116 DELTA 2 2 2 DA C5' 2 2 2 DA C4' 2 2 2 DA C3' 2 2 2 DA O3' -330.0 -30.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 117 DELTA 2 2 2 DA C5' 2 2 2 DA C4' 2 2 2 DA C3' 2 2 2 DA O3' -210.0 89.99999 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 118 NU2 2 2 2 DA C4' 2 2 2 DA C3' 2 2 2 DA C2' 2 2 2 DA C1' -89.99999 210.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 119 NU2 2 2 2 DA C4' 2 2 2 DA C3' 2 2 2 DA C2' 2 2 2 DA C1' -330.0 -30.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 120 NU2 2 2 2 DA C4' 2 2 2 DA C3' 2 2 2 DA C2' 2 2 2 DA C1' -210.0 89.99999 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 121 NU1 2 2 2 DA C3' 2 2 2 DA C2' 2 2 2 DA C1' 2 2 2 DA O4' -89.99999 210.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 122 NU1 2 2 2 DA C3' 2 2 2 DA C2' 2 2 2 DA C1' 2 2 2 DA O4' -330.0 -30.0 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 123 NU1 2 2 2 DA C3' 2 2 2 DA C2' 2 2 2 DA C1' 2 2 2 DA O4' -210.0 89.99999 . 202 ADE . . 202 ADE . . 202 ADE . . 202 ADE . 1 1 124 GAMMA 2 2 3 DC O5' 2 2 3 DC C5' 2 2 3 DC C4' 2 2 3 DC C3' -89.99999 210.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 125 GAMMA 2 2 3 DC O5' 2 2 3 DC C5' 2 2 3 DC C4' 2 2 3 DC C3' -330.0 -30.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 126 GAMMA 2 2 3 DC O5' 2 2 3 DC C5' 2 2 3 DC C4' 2 2 3 DC C3' -210.0 89.99999 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 127 DELTA 2 2 3 DC C5' 2 2 3 DC C4' 2 2 3 DC C3' 2 2 3 DC O3' -89.99999 210.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 128 DELTA 2 2 3 DC C5' 2 2 3 DC C4' 2 2 3 DC C3' 2 2 3 DC O3' -330.0 -30.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 129 DELTA 2 2 3 DC C5' 2 2 3 DC C4' 2 2 3 DC C3' 2 2 3 DC O3' -210.0 89.99999 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 130 NU2 2 2 3 DC C4' 2 2 3 DC C3' 2 2 3 DC C2' 2 2 3 DC C1' -89.99999 210.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 131 NU2 2 2 3 DC C4' 2 2 3 DC C3' 2 2 3 DC C2' 2 2 3 DC C1' -330.0 -30.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 132 NU2 2 2 3 DC C4' 2 2 3 DC C3' 2 2 3 DC C2' 2 2 3 DC C1' -210.0 89.99999 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 133 NU1 2 2 3 DC C3' 2 2 3 DC C2' 2 2 3 DC C1' 2 2 3 DC O4' -89.99999 210.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 134 NU1 2 2 3 DC C3' 2 2 3 DC C2' 2 2 3 DC C1' 2 2 3 DC O4' -330.0 -30.0 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 135 NU1 2 2 3 DC C3' 2 2 3 DC C2' 2 2 3 DC C1' 2 2 3 DC O4' -210.0 89.99999 . 203 CYT . . 203 CYT . . 203 CYT . . 203 CYT . 1 1 136 GAMMA 2 2 4 DG O5' 2 2 4 DG C5' 2 2 4 DG C4' 2 2 4 DG C3' -89.99999 210.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 137 GAMMA 2 2 4 DG O5' 2 2 4 DG C5' 2 2 4 DG C4' 2 2 4 DG C3' -330.0 -30.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 138 GAMMA 2 2 4 DG O5' 2 2 4 DG C5' 2 2 4 DG C4' 2 2 4 DG C3' -210.0 89.99999 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 139 DELTA 2 2 4 DG C5' 2 2 4 DG C4' 2 2 4 DG C3' 2 2 4 DG O3' -89.99999 210.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 140 DELTA 2 2 4 DG C5' 2 2 4 DG C4' 2 2 4 DG C3' 2 2 4 DG O3' -330.0 -30.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 141 DELTA 2 2 4 DG C5' 2 2 4 DG C4' 2 2 4 DG C3' 2 2 4 DG O3' -210.0 89.99999 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 142 NU2 2 2 4 DG C4' 2 2 4 DG C3' 2 2 4 DG C2' 2 2 4 DG C1' -89.99999 210.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 143 NU2 2 2 4 DG C4' 2 2 4 DG C3' 2 2 4 DG C2' 2 2 4 DG C1' -330.0 -30.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 144 NU2 2 2 4 DG C4' 2 2 4 DG C3' 2 2 4 DG C2' 2 2 4 DG C1' -210.0 89.99999 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 145 NU1 2 2 4 DG C3' 2 2 4 DG C2' 2 2 4 DG C1' 2 2 4 DG O4' -89.99999 210.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 146 NU1 2 2 4 DG C3' 2 2 4 DG C2' 2 2 4 DG C1' 2 2 4 DG O4' -330.0 -30.0 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 147 NU1 2 2 4 DG C3' 2 2 4 DG C2' 2 2 4 DG C1' 2 2 4 DG O4' -210.0 89.99999 . 204 GUA . . 204 GUA . . 204 GUA . . 204 GUA . 1 1 148 GAMMA 2 2 5 DC O5' 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' -89.99999 210.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 149 GAMMA 2 2 5 DC O5' 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' -330.0 -30.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 150 GAMMA 2 2 5 DC O5' 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' -210.0 89.99999 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 151 DELTA 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC O3' -89.99999 210.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 152 DELTA 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC O3' -330.0 -30.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 153 DELTA 2 2 5 DC C5' 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC O3' -210.0 89.99999 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 154 NU2 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC C2' 2 2 5 DC C1' -89.99999 210.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 155 NU2 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC C2' 2 2 5 DC C1' -330.0 -30.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 156 NU2 2 2 5 DC C4' 2 2 5 DC C3' 2 2 5 DC C2' 2 2 5 DC C1' -210.0 89.99999 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 157 NU1 2 2 5 DC C3' 2 2 5 DC C2' 2 2 5 DC C1' 2 2 5 DC O4' -89.99999 210.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 158 NU1 2 2 5 DC C3' 2 2 5 DC C2' 2 2 5 DC C1' 2 2 5 DC O4' -330.0 -30.0 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 159 NU1 2 2 5 DC C3' 2 2 5 DC C2' 2 2 5 DC C1' 2 2 5 DC O4' -210.0 89.99999 . 205 CYT . . 205 CYT . . 205 CYT . . 205 CYT . 1 1 160 GAMMA 2 2 6 DC O5' 2 2 6 DC C5' 2 2 6 DC C4' 2 2 6 DC C3' -89.99999 210.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 161 GAMMA 2 2 6 DC O5' 2 2 6 DC C5' 2 2 6 DC C4' 2 2 6 DC C3' -330.0 -30.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 162 GAMMA 2 2 6 DC O5' 2 2 6 DC C5' 2 2 6 DC C4' 2 2 6 DC C3' -210.0 89.99999 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 163 DELTA 2 2 6 DC C5' 2 2 6 DC C4' 2 2 6 DC C3' 2 2 6 DC O3' -89.99999 210.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 164 DELTA 2 2 6 DC C5' 2 2 6 DC C4' 2 2 6 DC C3' 2 2 6 DC O3' -330.0 -30.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 165 DELTA 2 2 6 DC C5' 2 2 6 DC C4' 2 2 6 DC C3' 2 2 6 DC O3' -210.0 89.99999 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 166 NU2 2 2 6 DC C4' 2 2 6 DC C3' 2 2 6 DC C2' 2 2 6 DC C1' -89.99999 210.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 167 NU2 2 2 6 DC C4' 2 2 6 DC C3' 2 2 6 DC C2' 2 2 6 DC C1' -330.0 -30.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 168 NU2 2 2 6 DC C4' 2 2 6 DC C3' 2 2 6 DC C2' 2 2 6 DC C1' -210.0 89.99999 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 169 NU1 2 2 6 DC C3' 2 2 6 DC C2' 2 2 6 DC C1' 2 2 6 DC O4' -89.99999 210.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 170 NU1 2 2 6 DC C3' 2 2 6 DC C2' 2 2 6 DC C1' 2 2 6 DC O4' -330.0 -30.0 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 171 NU1 2 2 6 DC C3' 2 2 6 DC C2' 2 2 6 DC C1' 2 2 6 DC O4' -210.0 89.99999 . 206 CYT . . 206 CYT . . 206 CYT . . 206 CYT . 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 LYS C C -4.294 -11.731 4.714 1.00 . A A . 1 LYS C 1 1 1 2 1 1 1 LYS CA C -5.535 -11.853 5.601 1.00 . A A . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C -5.525 -13.167 6.408 1.00 . A A . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C -7.795 -13.015 7.654 1.00 . A A . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C -8.401 -13.036 9.056 1.00 . A A . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C -6.267 -13.093 7.753 1.00 . A A . 1 LYS CG 1 1 1 7 1 1 1 LYS H1 H -6.628 -11.042 4.028 1.00 . A A . 1 LYS H1 1 1 1 8 1 1 1 LYS H2 H -7.539 -11.337 5.358 1.00 . A A . 1 LYS H2 1 1 1 9 1 1 1 LYS H3 H -7.046 -12.571 4.392 1.00 . A A . 1 LYS H3 1 1 1 10 1 1 1 LYS HA H -5.472 -11.030 6.312 1.00 . A A . 1 LYS HA 1 1 1 11 1 1 1 LYS HB2 H -5.913 -13.990 5.811 1.00 . A A . 1 LYS HB2 1 1 1 12 1 1 1 LYS HB3 H -4.491 -13.411 6.641 1.00 . A A . 1 LYS HB3 1 1 1 13 1 1 1 LYS HD2 H -8.066 -12.070 7.187 1.00 . A A . 1 LYS HD2 1 1 1 14 1 1 1 LYS HD3 H -8.186 -13.836 7.051 1.00 . A A . 1 LYS HD3 1 1 1 15 1 1 1 LYS HE2 H -7.779 -12.428 9.714 1.00 . A A . 1 LYS HE2 1 1 1 16 1 1 1 LYS HE3 H -9.387 -12.574 9.021 1.00 . A A . 1 LYS HE3 1 1 1 17 1 1 1 LYS HG2 H -5.994 -13.983 8.320 1.00 . A A . 1 LYS HG2 1 1 1 18 1 1 1 LYS HG3 H -5.903 -12.227 8.306 1.00 . A A . 1 LYS HG3 1 1 1 19 1 1 1 LYS HZ1 H -7.709 -14.967 9.446 1.00 . A A . 1 LYS HZ1 1 1 1 20 1 1 1 LYS HZ2 H -9.314 -14.880 9.152 1.00 . A A . 1 LYS HZ2 1 1 1 21 1 1 1 LYS HZ3 H -8.729 -14.358 10.598 1.00 . A A . 1 LYS HZ3 1 1 1 22 1 1 1 LYS N N -6.768 -11.685 4.797 1.00 . A A . 1 LYS N 1 1 1 23 1 1 1 LYS NZ N -8.539 -14.404 9.602 1.00 . A A . 1 LYS NZ 1 1 1 24 1 1 1 LYS O O -4.069 -12.558 3.827 1.00 . A A . 1 LYS O 1 1 1 25 1 1 2 GLY C C -1.958 -8.865 4.260 1.00 . A A . 2 GLY C 1 1 1 26 1 1 2 GLY CA C -2.259 -10.370 4.238 1.00 . A A . 2 GLY CA 1 1 1 27 1 1 2 GLY H H -3.789 -10.016 5.670 1.00 . A A . 2 GLY H 1 1 1 28 1 1 2 GLY HA2 H -1.429 -10.896 4.711 1.00 . A A . 2 GLY HA2 1 1 1 29 1 1 2 GLY HA3 H -2.336 -10.714 3.205 1.00 . A A . 2 GLY HA3 1 1 1 30 1 1 2 GLY N N -3.498 -10.683 4.963 1.00 . A A . 2 GLY N 1 1 1 31 1 1 2 GLY O O -1.831 -8.274 5.338 1.00 . A A . 2 GLY O 1 1 1 32 1 1 3 CYS C C -3.064 -6.096 3.444 1.00 . A A . 3 CYS C 1 1 1 33 1 1 3 CYS CA C -1.820 -6.805 2.864 1.00 . A A . 3 CYS CA 1 1 1 34 1 1 3 CYS CB C -1.692 -6.559 1.344 1.00 . A A . 3 CYS CB 1 1 1 35 1 1 3 CYS H H -1.928 -8.836 2.259 1.00 . A A . 3 CYS H 1 1 1 36 1 1 3 CYS HA H -0.937 -6.406 3.358 1.00 . A A . 3 CYS HA 1 1 1 37 1 1 3 CYS HB2 H -0.993 -7.270 0.909 1.00 . A A . 3 CYS HB2 1 1 1 38 1 1 3 CYS HB3 H -2.666 -6.765 0.926 1.00 . A A . 3 CYS HB3 1 1 1 39 1 1 3 CYS N N -1.878 -8.251 3.080 1.00 . A A . 3 CYS N 1 1 1 40 1 1 3 CYS O O -4.009 -6.691 3.972 1.00 . A A . 3 CYS O 1 1 1 41 1 1 3 CYS SG S -1.183 -4.859 0.908 1.00 . A A . 3 CYS SG 1 1 1 42 1 1 4 TRP C C -4.945 -3.490 2.343 1.00 . A A . 4 TRP C 1 1 1 43 1 1 4 TRP CA C -4.145 -3.870 3.598 1.00 . A A . 4 TRP CA 1 1 1 44 1 1 4 TRP CB C -3.495 -2.656 4.247 1.00 . A A . 4 TRP CB 1 1 1 45 1 1 4 TRP CD1 C -5.509 -1.135 4.582 1.00 . A A . 4 TRP CD1 1 1 1 46 1 1 4 TRP CD2 C -3.724 -0.152 3.637 1.00 . A A . 4 TRP CD2 1 1 1 47 1 1 4 TRP CE2 C -4.780 0.790 3.611 1.00 . A A . 4 TRP CE2 1 1 1 48 1 1 4 TRP CE3 C -2.475 0.228 3.109 1.00 . A A . 4 TRP CE3 1 1 1 49 1 1 4 TRP CG C -4.237 -1.380 4.191 1.00 . A A . 4 TRP CG 1 1 1 50 1 1 4 TRP CH2 C -3.395 2.381 2.440 1.00 . A A . 4 TRP CH2 1 1 1 51 1 1 4 TRP CZ2 C -4.636 2.028 3.000 1.00 . A A . 4 TRP CZ2 1 1 1 52 1 1 4 TRP CZ3 C -2.314 1.485 2.524 1.00 . A A . 4 TRP CZ3 1 1 1 53 1 1 4 TRP H H -2.254 -4.433 2.777 1.00 . A A . 4 TRP H 1 1 1 54 1 1 4 TRP HA H -4.840 -4.319 4.309 1.00 . A A . 4 TRP HA 1 1 1 55 1 1 4 TRP HB2 H -3.268 -2.842 5.278 1.00 . A A . 4 TRP HB2 1 1 1 56 1 1 4 TRP HB3 H -2.536 -2.482 3.755 1.00 . A A . 4 TRP HB3 1 1 1 57 1 1 4 TRP HD1 H -6.186 -1.860 5.021 1.00 . A A . 4 TRP HD1 1 1 1 58 1 1 4 TRP HE1 H -6.752 0.581 4.375 1.00 . A A . 4 TRP HE1 1 1 1 59 1 1 4 TRP HE3 H -1.651 -0.468 3.121 1.00 . A A . 4 TRP HE3 1 1 1 60 1 1 4 TRP HH2 H -3.278 3.326 1.931 1.00 . A A . 4 TRP HH2 1 1 1 61 1 1 4 TRP HZ2 H -5.497 2.663 2.949 1.00 . A A . 4 TRP HZ2 1 1 1 62 1 1 4 TRP HZ3 H -1.359 1.731 2.112 1.00 . A A . 4 TRP HZ3 1 1 1 63 1 1 4 TRP N N -3.059 -4.787 3.280 1.00 . A A . 4 TRP N 1 1 1 64 1 1 4 TRP NE1 N -5.829 0.165 4.246 1.00 . A A . 4 TRP NE1 1 1 1 65 1 1 4 TRP O O -6.170 -3.588 2.344 1.00 . A A . 4 TRP O 1 1 1 66 1 1 5 LYS C C -4.734 -3.578 -1.169 1.00 . A A . 5 LYS C 1 1 1 67 1 1 5 LYS CA C -4.861 -2.611 0.009 1.00 . A A . 5 LYS CA 1 1 1 68 1 1 5 LYS CB C -4.320 -1.205 -0.326 1.00 . A A . 5 LYS CB 1 1 1 69 1 1 5 LYS CD C -2.909 -1.262 -2.524 1.00 . A A . 5 LYS CD 1 1 1 70 1 1 5 LYS CE C -3.502 -0.018 -3.181 1.00 . A A . 5 LYS CE 1 1 1 71 1 1 5 LYS CG C -2.925 -1.160 -0.982 1.00 . A A . 5 LYS CG 1 1 1 72 1 1 5 LYS H H -3.245 -3.055 1.353 1.00 . A A . 5 LYS H 1 1 1 73 1 1 5 LYS HA H -5.931 -2.490 0.169 1.00 . A A . 5 LYS HA 1 1 1 74 1 1 5 LYS HB2 H -5.037 -0.700 -0.972 1.00 . A A . 5 LYS HB2 1 1 1 75 1 1 5 LYS HB3 H -4.276 -0.624 0.598 1.00 . A A . 5 LYS HB3 1 1 1 76 1 1 5 LYS HD2 H -1.872 -1.336 -2.848 1.00 . A A . 5 LYS HD2 1 1 1 77 1 1 5 LYS HD3 H -3.409 -2.158 -2.881 1.00 . A A . 5 LYS HD3 1 1 1 78 1 1 5 LYS HE2 H -3.531 0.769 -2.431 1.00 . A A . 5 LYS HE2 1 1 1 79 1 1 5 LYS HE3 H -2.827 0.326 -3.971 1.00 . A A . 5 LYS HE3 1 1 1 80 1 1 5 LYS HG2 H -2.452 -0.215 -0.708 1.00 . A A . 5 LYS HG2 1 1 1 81 1 1 5 LYS HG3 H -2.310 -1.953 -0.561 1.00 . A A . 5 LYS HG3 1 1 1 82 1 1 5 LYS HZ1 H -4.775 -0.706 -4.645 1.00 . A A . 5 LYS HZ1 1 1 1 83 1 1 5 LYS HZ2 H -5.276 0.672 -3.933 1.00 . A A . 5 LYS HZ2 1 1 1 84 1 1 5 LYS HZ3 H -5.473 -0.739 -3.127 1.00 . A A . 5 LYS HZ3 1 1 1 85 1 1 5 LYS N N -4.249 -3.096 1.264 1.00 . A A . 5 LYS N 1 1 1 86 1 1 5 LYS NZ N -4.850 -0.229 -3.749 1.00 . A A . 5 LYS NZ 1 1 1 87 1 1 5 LYS O O -5.509 -3.475 -2.117 1.00 . A A . 5 LYS O 1 1 1 88 1 1 6 CYS C C -4.296 -6.608 -2.288 1.00 . A A . 6 CYS C 1 1 1 89 1 1 6 CYS CA C -3.427 -5.343 -2.277 1.00 . A A . 6 CYS CA 1 1 1 90 1 1 6 CYS CB C -1.917 -5.629 -2.277 1.00 . A A . 6 CYS CB 1 1 1 91 1 1 6 CYS H H -3.146 -4.503 -0.335 1.00 . A A . 6 CYS H 1 1 1 92 1 1 6 CYS HA H -3.644 -4.804 -3.194 1.00 . A A . 6 CYS HA 1 1 1 93 1 1 6 CYS HB2 H -1.657 -6.252 -1.419 1.00 . A A . 6 CYS HB2 1 1 1 94 1 1 6 CYS HB3 H -1.669 -6.189 -3.183 1.00 . A A . 6 CYS HB3 1 1 1 95 1 1 6 CYS N N -3.761 -4.489 -1.135 1.00 . A A . 6 CYS N 1 1 1 96 1 1 6 CYS O O -5.108 -6.819 -3.187 1.00 . A A . 6 CYS O 1 1 1 97 1 1 6 CYS SG S -1.006 -4.059 -2.251 1.00 . A A . 6 CYS SG 1 1 1 98 1 1 7 GLY C C -4.077 -9.910 -1.007 1.00 . A A . 7 GLY C 1 1 1 99 1 1 7 GLY CA C -4.914 -8.629 -0.986 1.00 . A A . 7 GLY CA 1 1 1 100 1 1 7 GLY H H -3.530 -7.083 -0.520 1.00 . A A . 7 GLY H 1 1 1 101 1 1 7 GLY HA2 H -5.348 -8.535 0.002 1.00 . A A . 7 GLY HA2 1 1 1 102 1 1 7 GLY HA3 H -5.703 -8.727 -1.725 1.00 . A A . 7 GLY HA3 1 1 1 103 1 1 7 GLY N N -4.155 -7.405 -1.233 1.00 . A A . 7 GLY N 1 1 1 104 1 1 7 GLY O O -4.530 -10.940 -1.511 1.00 . A A . 7 GLY O 1 1 1 105 1 1 8 LYS C C -0.906 -10.878 0.594 1.00 . A A . 8 LYS C 1 1 1 106 1 1 8 LYS CA C -1.801 -10.889 -0.647 1.00 . A A . 8 LYS CA 1 1 1 107 1 1 8 LYS CB C -0.910 -10.679 -1.891 1.00 . A A . 8 LYS CB 1 1 1 108 1 1 8 LYS CD C -0.632 -9.921 -4.330 1.00 . A A . 8 LYS CD 1 1 1 109 1 1 8 LYS CE C 0.023 -8.527 -4.372 1.00 . A A . 8 LYS CE 1 1 1 110 1 1 8 LYS CG C -1.610 -10.162 -3.166 1.00 . A A . 8 LYS CG 1 1 1 111 1 1 8 LYS H H -2.550 -8.959 -0.119 1.00 . A A . 8 LYS H 1 1 1 112 1 1 8 LYS HA H -2.288 -11.864 -0.714 1.00 . A A . 8 LYS HA 1 1 1 113 1 1 8 LYS HB2 H -0.128 -9.973 -1.615 1.00 . A A . 8 LYS HB2 1 1 1 114 1 1 8 LYS HB3 H -0.418 -11.625 -2.122 1.00 . A A . 8 LYS HB3 1 1 1 115 1 1 8 LYS HD2 H 0.139 -10.694 -4.328 1.00 . A A . 8 LYS HD2 1 1 1 116 1 1 8 LYS HD3 H -1.198 -10.031 -5.256 1.00 . A A . 8 LYS HD3 1 1 1 117 1 1 8 LYS HE2 H 0.706 -8.504 -5.226 1.00 . A A . 8 LYS HE2 1 1 1 118 1 1 8 LYS HE3 H -0.748 -7.779 -4.563 1.00 . A A . 8 LYS HE3 1 1 1 119 1 1 8 LYS HG2 H -2.342 -10.908 -3.480 1.00 . A A . 8 LYS HG2 1 1 1 120 1 1 8 LYS HG3 H -2.135 -9.227 -2.973 1.00 . A A . 8 LYS HG3 1 1 1 121 1 1 8 LYS HZ1 H 0.130 -8.089 -2.361 1.00 . A A . 8 LYS HZ1 1 1 1 122 1 1 8 LYS HZ2 H 1.262 -7.287 -3.259 1.00 . A A . 8 LYS HZ2 1 1 1 123 1 1 8 LYS HZ3 H 1.470 -8.874 -2.924 1.00 . A A . 8 LYS HZ3 1 1 1 124 1 1 8 LYS N N -2.820 -9.827 -0.557 1.00 . A A . 8 LYS N 1 1 1 125 1 1 8 LYS NZ N 0.764 -8.169 -3.141 1.00 . A A . 8 LYS NZ 1 1 1 126 1 1 8 LYS O O -0.631 -9.794 1.102 1.00 . A A . 8 LYS O 1 1 1 127 1 1 9 GLU C C 2.014 -11.560 1.849 1.00 . A A . 9 GLU C 1 1 1 128 1 1 9 GLU CA C 0.599 -12.113 2.159 1.00 . A A . 9 GLU CA 1 1 1 129 1 1 9 GLU CB C 0.661 -13.558 2.689 1.00 . A A . 9 GLU CB 1 1 1 130 1 1 9 GLU CD C -0.175 -15.132 4.457 1.00 . A A . 9 GLU CD 1 1 1 131 1 1 9 GLU CG C -0.551 -13.974 3.526 1.00 . A A . 9 GLU CG 1 1 1 132 1 1 9 GLU H H -0.624 -12.871 0.563 1.00 . A A . 9 GLU H 1 1 1 133 1 1 9 GLU HA H 0.229 -11.487 2.970 1.00 . A A . 9 GLU HA 1 1 1 134 1 1 9 GLU HB2 H 0.786 -14.251 1.855 1.00 . A A . 9 GLU HB2 1 1 1 135 1 1 9 GLU HB3 H 1.533 -13.654 3.332 1.00 . A A . 9 GLU HB3 1 1 1 136 1 1 9 GLU HG2 H -0.872 -13.129 4.139 1.00 . A A . 9 GLU HG2 1 1 1 137 1 1 9 GLU HG3 H -1.373 -14.255 2.868 1.00 . A A . 9 GLU HG3 1 1 1 138 1 1 9 GLU N N -0.357 -12.009 1.032 1.00 . A A . 9 GLU N 1 1 1 139 1 1 9 GLU O O 3.028 -12.119 2.282 1.00 . A A . 9 GLU O 1 1 1 140 1 1 9 GLU OE1 O 0.684 -14.943 5.351 1.00 . A A . 9 GLU OE1 1 1 1 141 1 1 9 GLU OE2 O -0.730 -16.250 4.341 1.00 . A A . 9 GLU OE2 1 1 1 142 1 1 10 GLY C C 4.004 -9.094 1.964 1.00 . A A . 10 GLY C 1 1 1 143 1 1 10 GLY CA C 3.387 -9.817 0.768 1.00 . A A . 10 GLY CA 1 1 1 144 1 1 10 GLY H H 1.260 -9.971 0.879 1.00 . A A . 10 GLY H 1 1 1 145 1 1 10 GLY HA2 H 4.091 -10.566 0.405 1.00 . A A . 10 GLY HA2 1 1 1 146 1 1 10 GLY HA3 H 3.218 -9.090 -0.024 1.00 . A A . 10 GLY HA3 1 1 1 147 1 1 10 GLY N N 2.115 -10.456 1.108 1.00 . A A . 10 GLY N 1 1 1 148 1 1 10 GLY O O 5.166 -9.331 2.300 1.00 . A A . 10 GLY O 1 1 1 149 1 1 11 HIS C C 2.396 -6.819 4.491 1.00 . A A . 11 HIS C 1 1 1 150 1 1 11 HIS CA C 3.618 -7.490 3.828 1.00 . A A . 11 HIS CA 1 1 1 151 1 1 11 HIS CB C 4.697 -6.441 3.456 1.00 . A A . 11 HIS CB 1 1 1 152 1 1 11 HIS CD2 C 3.301 -4.994 1.868 1.00 . A A . 11 HIS CD2 1 1 1 153 1 1 11 HIS CE1 C 4.681 -4.794 0.183 1.00 . A A . 11 HIS CE1 1 1 1 154 1 1 11 HIS CG C 4.428 -5.702 2.169 1.00 . A A . 11 HIS CG 1 1 1 155 1 1 11 HIS H H 2.262 -8.124 2.326 1.00 . A A . 11 HIS H 1 1 1 156 1 1 11 HIS HA H 4.039 -8.187 4.552 1.00 . A A . 11 HIS HA 1 1 1 157 1 1 11 HIS HB2 H 4.795 -5.708 4.260 1.00 . A A . 11 HIS HB2 1 1 1 158 1 1 11 HIS HB3 H 5.658 -6.941 3.372 1.00 . A A . 11 HIS HB3 1 1 1 159 1 1 11 HIS HD1 H 6.232 -5.931 1.005 1.00 . A A . 11 HIS HD1 1 1 1 160 1 1 11 HIS HD2 H 2.466 -4.790 2.532 1.00 . A A . 11 HIS HD2 1 1 1 161 1 1 11 HIS HE1 H 5.121 -4.406 -0.722 1.00 . A A . 11 HIS HE1 1 1 1 162 1 1 11 HIS N N 3.222 -8.238 2.629 1.00 . A A . 11 HIS N 1 1 1 163 1 1 11 HIS ND1 N 5.282 -5.566 1.096 1.00 . A A . 11 HIS ND1 1 1 1 164 1 1 11 HIS NE2 N 3.451 -4.474 0.584 1.00 . A A . 11 HIS NE2 1 1 1 165 1 1 11 HIS O O 1.252 -7.179 4.225 1.00 . A A . 11 HIS O 1 1 1 166 1 1 12 GLN C C 1.886 -3.489 5.550 1.00 . A A . 12 GLN C 1 1 1 167 1 1 12 GLN CA C 1.746 -4.930 6.027 1.00 . A A . 12 GLN CA 1 1 1 168 1 1 12 GLN CB C 2.062 -5.061 7.519 1.00 . A A . 12 GLN CB 1 1 1 169 1 1 12 GLN CD C 1.522 -6.202 9.695 1.00 . A A . 12 GLN CD 1 1 1 170 1 1 12 GLN CG C 1.088 -5.983 8.255 1.00 . A A . 12 GLN CG 1 1 1 171 1 1 12 GLN H H 3.645 -5.654 5.521 1.00 . A A . 12 GLN H 1 1 1 172 1 1 12 GLN HA H 0.699 -5.144 5.830 1.00 . A A . 12 GLN HA 1 1 1 173 1 1 12 GLN HB2 H 3.076 -5.429 7.661 1.00 . A A . 12 GLN HB2 1 1 1 174 1 1 12 GLN HB3 H 2.053 -4.075 7.947 1.00 . A A . 12 GLN HB3 1 1 1 175 1 1 12 GLN HE21 H 0.839 -4.392 10.333 1.00 . A A . 12 GLN HE21 1 1 1 176 1 1 12 GLN HE22 H 1.542 -5.429 11.542 1.00 . A A . 12 GLN HE22 1 1 1 177 1 1 12 GLN HG2 H 0.091 -5.550 8.246 1.00 . A A . 12 GLN HG2 1 1 1 178 1 1 12 GLN HG3 H 1.048 -6.950 7.749 1.00 . A A . 12 GLN HG3 1 1 1 179 1 1 12 GLN N N 2.662 -5.832 5.343 1.00 . A A . 12 GLN N 1 1 1 180 1 1 12 GLN NE2 N 1.296 -5.260 10.582 1.00 . A A . 12 GLN NE2 1 1 1 181 1 1 12 GLN O O 2.751 -3.159 4.744 1.00 . A A . 12 GLN O 1 1 1 182 1 1 12 GLN OE1 O 2.065 -7.241 10.056 1.00 . A A . 12 GLN OE1 1 1 1 183 1 1 13 MET C C 2.133 -0.437 5.571 1.00 . A A . 13 MET C 1 1 1 184 1 1 13 MET CA C 0.851 -1.250 5.542 1.00 . A A . 13 MET CA 1 1 1 185 1 1 13 MET CB C -0.233 -0.495 6.307 1.00 . A A . 13 MET CB 1 1 1 186 1 1 13 MET CE C -1.916 -3.220 8.460 1.00 . A A . 13 MET CE 1 1 1 187 1 1 13 MET CG C -1.536 -1.248 6.506 1.00 . A A . 13 MET CG 1 1 1 188 1 1 13 MET H H 0.355 -2.933 6.737 1.00 . A A . 13 MET H 1 1 1 189 1 1 13 MET HA H 0.548 -1.281 4.499 1.00 . A A . 13 MET HA 1 1 1 190 1 1 13 MET HB2 H 0.155 -0.206 7.276 1.00 . A A . 13 MET HB2 1 1 1 191 1 1 13 MET HB3 H -0.461 0.380 5.703 1.00 . A A . 13 MET HB3 1 1 1 192 1 1 13 MET HE1 H -2.557 -3.741 7.758 1.00 . A A . 13 MET HE1 1 1 1 193 1 1 13 MET HE2 H -0.884 -3.510 8.310 1.00 . A A . 13 MET HE2 1 1 1 194 1 1 13 MET HE3 H -2.216 -3.480 9.471 1.00 . A A . 13 MET HE3 1 1 1 195 1 1 13 MET HG2 H -2.305 -0.740 5.951 1.00 . A A . 13 MET HG2 1 1 1 196 1 1 13 MET HG3 H -1.456 -2.199 6.024 1.00 . A A . 13 MET HG3 1 1 1 197 1 1 13 MET N N 1.019 -2.607 6.055 1.00 . A A . 13 MET N 1 1 1 198 1 1 13 MET O O 2.358 0.276 4.609 1.00 . A A . 13 MET O 1 1 1 199 1 1 13 MET SD S -2.088 -1.444 8.221 1.00 . A A . 13 MET SD 1 1 1 200 1 1 14 LYS C C 5.298 -0.323 5.635 1.00 . A A . 14 LYS C 1 1 1 201 1 1 14 LYS CA C 4.281 0.118 6.687 1.00 . A A . 14 LYS CA 1 1 1 202 1 1 14 LYS CB C 4.841 -0.083 8.097 1.00 . A A . 14 LYS CB 1 1 1 203 1 1 14 LYS CD C 4.290 0.246 10.550 1.00 . A A . 14 LYS CD 1 1 1 204 1 1 14 LYS CE C 2.940 -0.015 11.232 1.00 . A A . 14 LYS CE 1 1 1 205 1 1 14 LYS CG C 4.203 0.853 9.139 1.00 . A A . 14 LYS CG 1 1 1 206 1 1 14 LYS H H 2.738 -1.221 7.331 1.00 . A A . 14 LYS H 1 1 1 207 1 1 14 LYS HA H 4.133 1.179 6.518 1.00 . A A . 14 LYS HA 1 1 1 208 1 1 14 LYS HB2 H 4.668 -1.117 8.367 1.00 . A A . 14 LYS HB2 1 1 1 209 1 1 14 LYS HB3 H 5.921 0.059 8.086 1.00 . A A . 14 LYS HB3 1 1 1 210 1 1 14 LYS HD2 H 4.849 -0.689 10.513 1.00 . A A . 14 LYS HD2 1 1 1 211 1 1 14 LYS HD3 H 4.859 0.933 11.179 1.00 . A A . 14 LYS HD3 1 1 1 212 1 1 14 LYS HE2 H 3.125 -0.599 12.135 1.00 . A A . 14 LYS HE2 1 1 1 213 1 1 14 LYS HE3 H 2.498 0.935 11.529 1.00 . A A . 14 LYS HE3 1 1 1 214 1 1 14 LYS HG2 H 4.731 1.808 9.114 1.00 . A A . 14 LYS HG2 1 1 1 215 1 1 14 LYS HG3 H 3.167 1.053 8.871 1.00 . A A . 14 LYS HG3 1 1 1 216 1 1 14 LYS HZ1 H 1.590 -0.105 9.675 1.00 . A A . 14 LYS HZ1 1 1 1 217 1 1 14 LYS HZ2 H 1.198 -1.075 10.918 1.00 . A A . 14 LYS HZ2 1 1 1 218 1 1 14 LYS HZ3 H 2.427 -1.553 9.953 1.00 . A A . 14 LYS HZ3 1 1 1 219 1 1 14 LYS N N 2.983 -0.576 6.595 1.00 . A A . 14 LYS N 1 1 1 220 1 1 14 LYS NZ N 1.983 -0.738 10.368 1.00 . A A . 14 LYS NZ 1 1 1 221 1 1 14 LYS O O 6.320 0.340 5.444 1.00 . A A . 14 LYS O 1 1 1 222 1 1 15 ASP C C 5.127 -1.863 2.508 1.00 . A A . 15 ASP C 1 1 1 223 1 1 15 ASP CA C 5.844 -1.967 3.867 1.00 . A A . 15 ASP CA 1 1 1 224 1 1 15 ASP CB C 6.236 -3.398 4.218 1.00 . A A . 15 ASP CB 1 1 1 225 1 1 15 ASP CG C 7.670 -3.497 4.714 1.00 . A A . 15 ASP CG 1 1 1 226 1 1 15 ASP H H 4.204 -1.968 5.242 1.00 . A A . 15 ASP H 1 1 1 227 1 1 15 ASP HA H 6.764 -1.394 3.774 1.00 . A A . 15 ASP HA 1 1 1 228 1 1 15 ASP HB2 H 5.563 -3.771 4.992 1.00 . A A . 15 ASP HB2 1 1 1 229 1 1 15 ASP HB3 H 6.145 -4.017 3.330 1.00 . A A . 15 ASP HB3 1 1 1 230 1 1 15 ASP N N 5.042 -1.448 4.977 1.00 . A A . 15 ASP N 1 1 1 231 1 1 15 ASP O O 5.797 -1.865 1.471 1.00 . A A . 15 ASP O 1 1 1 232 1 1 15 ASP OD1 O 7.920 -3.216 5.912 1.00 . A A . 15 ASP OD1 1 1 1 233 1 1 15 ASP OD2 O 8.545 -3.903 3.914 1.00 . A A . 15 ASP OD2 1 1 1 234 1 1 16 CYS C C 2.872 0.055 1.114 1.00 . A A . 16 CYS C 1 1 1 235 1 1 16 CYS CA C 2.954 -1.460 1.365 1.00 . A A . 16 CYS CA 1 1 1 236 1 1 16 CYS CB C 1.592 -2.151 1.565 1.00 . A A . 16 CYS CB 1 1 1 237 1 1 16 CYS H H 3.340 -1.821 3.417 1.00 . A A . 16 CYS H 1 1 1 238 1 1 16 CYS HA H 3.418 -1.940 0.520 1.00 . A A . 16 CYS HA 1 1 1 239 1 1 16 CYS HB2 H 1.725 -3.116 2.005 1.00 . A A . 16 CYS HB2 1 1 1 240 1 1 16 CYS HB3 H 1.056 -1.671 2.348 1.00 . A A . 16 CYS HB3 1 1 1 241 1 1 16 CYS N N 3.798 -1.725 2.522 1.00 . A A . 16 CYS N 1 1 1 242 1 1 16 CYS O O 3.571 0.612 0.271 1.00 . A A . 16 CYS O 1 1 1 243 1 1 16 CYS SG S 0.639 -2.315 0.026 1.00 . A A . 16 CYS SG 1 1 1 244 1 1 17 THR C C 0.944 2.557 0.581 1.00 . A A . 17 THR C 1 1 1 245 1 1 17 THR CA C 1.726 2.166 1.834 1.00 . A A . 17 THR CA 1 1 1 246 1 1 17 THR CB C 2.919 3.112 2.086 1.00 . A A . 17 THR CB 1 1 1 247 1 1 17 THR CG2 C 3.911 2.605 3.120 1.00 . A A . 17 THR CG2 1 1 1 248 1 1 17 THR H H 1.728 0.238 2.726 1.00 . A A . 17 THR H 1 1 1 249 1 1 17 THR HA H 1.043 2.350 2.657 1.00 . A A . 17 THR HA 1 1 1 250 1 1 17 THR HB H 2.522 4.067 2.431 1.00 . A A . 17 THR HB 1 1 1 251 1 1 17 THR HG1 H 3.887 2.491 0.528 1.00 . A A . 17 THR HG1 1 1 1 252 1 1 17 THR HG21 H 4.626 3.377 3.379 1.00 . A A . 17 THR HG21 1 1 1 253 1 1 17 THR HG22 H 4.437 1.735 2.733 1.00 . A A . 17 THR HG22 1 1 1 254 1 1 17 THR HG23 H 3.379 2.340 4.021 1.00 . A A . 17 THR HG23 1 1 1 255 1 1 17 THR N N 2.070 0.742 1.921 1.00 . A A . 17 THR N 1 1 1 256 1 1 17 THR O O 0.726 3.738 0.363 1.00 . A A . 17 THR O 1 1 1 257 1 1 17 THR OG1 O 3.709 3.358 0.947 1.00 . A A . 17 THR OG1 1 1 1 258 1 1 18 GLU C C -1.104 2.543 -2.038 1.00 . A A . 18 GLU C 1 1 1 259 1 1 18 GLU CA C 0.230 1.850 -1.672 1.00 . A A . 18 GLU CA 1 1 1 260 1 1 18 GLU CB C 0.364 0.528 -2.443 1.00 . A A . 18 GLU CB 1 1 1 261 1 1 18 GLU CD C 2.646 0.812 -3.626 1.00 . A A . 18 GLU CD 1 1 1 262 1 1 18 GLU CG C 1.797 0.036 -2.613 1.00 . A A . 18 GLU CG 1 1 1 263 1 1 18 GLU H H 0.606 0.645 0.033 1.00 . A A . 18 GLU H 1 1 1 264 1 1 18 GLU HA H 1.026 2.521 -1.997 1.00 . A A . 18 GLU HA 1 1 1 265 1 1 18 GLU HB2 H -0.192 -0.234 -1.903 1.00 . A A . 18 GLU HB2 1 1 1 266 1 1 18 GLU HB3 H -0.067 0.609 -3.435 1.00 . A A . 18 GLU HB3 1 1 1 267 1 1 18 GLU HG2 H 2.267 0.054 -1.640 1.00 . A A . 18 GLU HG2 1 1 1 268 1 1 18 GLU HG3 H 1.742 -0.997 -2.948 1.00 . A A . 18 GLU HG3 1 1 1 269 1 1 18 GLU N N 0.491 1.611 -0.243 1.00 . A A . 18 GLU N 1 1 1 270 1 1 18 GLU O O -1.561 2.442 -3.181 1.00 . A A . 18 GLU O 1 1 1 271 1 1 18 GLU OE1 O 2.245 1.914 -4.079 1.00 . A A . 18 GLU OE1 1 1 1 272 1 1 18 GLU OE2 O 3.686 0.259 -4.051 1.00 . A A . 18 GLU OE2 1 1 1 273 1 1 19 ARG C C -4.156 2.802 -1.566 1.00 . A A . 19 ARG C 1 1 1 274 1 1 19 ARG CA C -3.084 3.836 -1.237 1.00 . A A . 19 ARG CA 1 1 1 275 1 1 19 ARG CB C -2.986 5.026 -2.214 1.00 . A A . 19 ARG CB 1 1 1 276 1 1 19 ARG CD C -4.915 5.888 -3.705 1.00 . A A . 19 ARG CD 1 1 1 277 1 1 19 ARG CG C -4.230 5.910 -2.330 1.00 . A A . 19 ARG CG 1 1 1 278 1 1 19 ARG CZ C -4.258 6.089 -6.096 1.00 . A A . 19 ARG CZ 1 1 1 279 1 1 19 ARG H H -1.333 3.332 -0.201 1.00 . A A . 19 ARG H 1 1 1 280 1 1 19 ARG HA H -3.325 4.158 -0.226 1.00 . A A . 19 ARG HA 1 1 1 281 1 1 19 ARG HB2 H -2.173 5.662 -1.889 1.00 . A A . 19 ARG HB2 1 1 1 282 1 1 19 ARG HB3 H -2.722 4.654 -3.205 1.00 . A A . 19 ARG HB3 1 1 1 283 1 1 19 ARG HD2 H -5.317 4.894 -3.892 1.00 . A A . 19 ARG HD2 1 1 1 284 1 1 19 ARG HD3 H -5.750 6.585 -3.665 1.00 . A A . 19 ARG HD3 1 1 1 285 1 1 19 ARG HE H -3.152 6.730 -4.590 1.00 . A A . 19 ARG HE 1 1 1 286 1 1 19 ARG HG2 H -4.952 5.613 -1.570 1.00 . A A . 19 ARG HG2 1 1 1 287 1 1 19 ARG HG3 H -3.913 6.930 -2.125 1.00 . A A . 19 ARG HG3 1 1 1 288 1 1 19 ARG HH11 H -6.072 5.246 -5.934 1.00 . A A . 19 ARG HH11 1 1 1 289 1 1 19 ARG HH12 H -5.462 5.468 -7.556 1.00 . A A . 19 ARG HH12 1 1 1 290 1 1 19 ARG HH21 H -2.552 6.955 -6.705 1.00 . A A . 19 ARG HH21 1 1 1 291 1 1 19 ARG HH22 H -3.599 6.312 -7.953 1.00 . A A . 19 ARG HH22 1 1 1 292 1 1 19 ARG N N -1.756 3.240 -1.104 1.00 . A A . 19 ARG N 1 1 1 293 1 1 19 ARG NE N -4.027 6.287 -4.814 1.00 . A A . 19 ARG NE 1 1 1 294 1 1 19 ARG NH1 N -5.343 5.543 -6.555 1.00 . A A . 19 ARG NH1 1 1 1 295 1 1 19 ARG NH2 N -3.383 6.440 -6.979 1.00 . A A . 19 ARG NH2 1 1 1 296 1 1 19 ARG O O -4.771 2.866 -2.664 1.00 . A A . 19 ARG O 1 1 1 297 1 1 19 ARG OXT O -4.342 1.885 -0.769 1.00 . A A . 19 ARG OXT 1 1 1 298 2 2 1 DT C1' C 10.626 3.406 -0.851 1.00 . B B . 20 DT C1' 1 1 1 299 2 2 1 DT C2 C 11.485 4.487 -2.904 1.00 . B B . 20 DT C2 1 1 1 300 2 2 1 DT C2' C 9.106 3.484 -0.857 1.00 . B B . 20 DT C2' 1 1 1 301 2 2 1 DT C3' C 8.817 3.227 0.609 1.00 . B B . 20 DT C3' 1 1 1 302 2 2 1 DT C4 C 12.201 3.181 -4.848 1.00 . B B . 20 DT C4 1 1 1 303 2 2 1 DT C4' C 9.924 2.233 0.997 1.00 . B B . 20 DT C4' 1 1 1 304 2 2 1 DT C5 C 11.785 1.981 -4.123 1.00 . B B . 20 DT C5 1 1 1 305 2 2 1 DT C5' C 9.380 0.812 1.235 1.00 . B B . 20 DT C5' 1 1 1 306 2 2 1 DT C6 C 11.294 2.074 -2.857 1.00 . B B . 20 DT C6 1 1 1 307 2 2 1 DT C7 C 11.915 0.612 -4.776 1.00 . B B . 20 DT C7 1 1 1 308 2 2 1 DT H1' H 11.025 4.304 -0.368 1.00 . B B . 20 DT H1' 1 1 1 309 2 2 1 DT H2' H 8.696 2.676 -1.459 1.00 . B B . 20 DT H2' 1 1 1 310 2 2 1 DT H2'' H 8.742 4.455 -1.192 1.00 . B B . 20 DT H2'' 1 1 1 311 2 2 1 DT H3 H 12.343 5.215 -4.608 1.00 . B B . 20 DT H3 1 1 1 312 2 2 1 DT H3' H 7.825 2.786 0.742 1.00 . B B . 20 DT H3' 1 1 1 313 2 2 1 DT H4' H 10.379 2.569 1.926 1.00 . B B . 20 DT H4' 1 1 1 314 2 2 1 DT H5' H 10.159 0.206 1.697 1.00 . B B . 20 DT H5' 1 1 1 315 2 2 1 DT H5'' H 8.552 0.873 1.943 1.00 . B B . 20 DT H5'' 1 1 1 316 2 2 1 DT H6 H 10.988 1.182 -2.325 1.00 . B B . 20 DT H6 1 1 1 317 2 2 1 DT H71 H 12.954 0.439 -5.054 1.00 . B B . 20 DT H71 1 1 1 318 2 2 1 DT H72 H 11.310 0.586 -5.682 1.00 . B B . 20 DT H72 1 1 1 319 2 2 1 DT H73 H 11.595 -0.180 -4.097 1.00 . B B . 20 DT H73 1 1 1 320 2 2 1 DT HO5' H 8.303 -0.517 0.259 1.00 . B B . 20 DT HO5' 1 1 1 321 2 2 1 DT N1 N 11.168 3.299 -2.234 1.00 . B B . 20 DT N1 1 1 1 322 2 2 1 DT N3 N 12.027 4.365 -4.163 1.00 . B B . 20 DT N3 1 1 1 323 2 2 1 DT O2 O 11.274 5.612 -2.444 1.00 . B B . 20 DT O2 1 1 1 324 2 2 1 DT O3' O 8.960 4.443 1.328 1.00 . B B . 20 DT O3' 1 1 1 325 2 2 1 DT O4 O 12.651 3.221 -5.995 1.00 . B B . 20 DT O4 1 1 1 326 2 2 1 DT O4' O 10.906 2.276 -0.037 1.00 . B B . 20 DT O4' 1 1 1 327 2 2 1 DT O5' O 8.930 0.187 0.039 1.00 . B B . 20 DT O5' 1 1 1 328 2 2 2 DA C1' C 5.446 5.977 -3.014 1.00 . B B . 21 DA C1' 1 1 1 329 2 2 2 DA C2 C 8.151 2.884 -4.490 1.00 . B B . 21 DA C2 1 1 1 330 2 2 2 DA C2' C 4.266 6.671 -2.319 1.00 . B B . 21 DA C2' 1 1 1 331 2 2 2 DA C3' C 4.821 7.106 -0.974 1.00 . B B . 21 DA C3' 1 1 1 332 2 2 2 DA C4 C 6.425 3.645 -3.291 1.00 . B B . 21 DA C4 1 1 1 333 2 2 2 DA C4' C 6.313 7.284 -1.285 1.00 . B B . 21 DA C4' 1 1 1 334 2 2 2 DA C5 C 6.152 2.424 -2.739 1.00 . B B . 21 DA C5 1 1 1 335 2 2 2 DA C5' C 7.243 6.935 -0.112 1.00 . B B . 21 DA C5' 1 1 1 336 2 2 2 DA C6 C 7.041 1.407 -3.167 1.00 . B B . 21 DA C6 1 1 1 337 2 2 2 DA C8 C 4.680 3.750 -1.985 1.00 . B B . 21 DA C8 1 1 1 338 2 2 2 DA H1' H 5.399 6.149 -4.094 1.00 . B B . 21 DA H1' 1 1 1 339 2 2 2 DA H2 H 8.955 3.050 -5.194 1.00 . B B . 21 DA H2 1 1 1 340 2 2 2 DA H2' H 3.407 6.026 -2.194 1.00 . B B . 21 DA H2' 1 1 1 341 2 2 2 DA H2'' H 3.937 7.513 -2.901 1.00 . B B . 21 DA H2'' 1 1 1 342 2 2 2 DA H3' H 4.671 6.279 -0.283 1.00 . B B . 21 DA H3' 1 1 1 343 2 2 2 DA H4' H 6.470 8.338 -1.521 1.00 . B B . 21 DA H4' 1 1 1 344 2 2 2 DA H5' H 8.269 6.872 -0.483 1.00 . B B . 21 DA H5' 1 1 1 345 2 2 2 DA H5'' H 7.185 7.765 0.594 1.00 . B B . 21 DA H5'' 1 1 1 346 2 2 2 DA H61 H 7.732 -0.459 -3.150 1.00 . B B . 21 DA H61 1 1 1 347 2 2 2 DA H62 H 6.350 -0.142 -2.082 1.00 . B B . 21 DA H62 1 1 1 348 2 2 2 DA H8 H 3.827 4.180 -1.477 1.00 . B B . 21 DA H8 1 1 1 349 2 2 2 DA N1 N 8.025 1.650 -4.035 1.00 . B B . 21 DA N1 1 1 1 350 2 2 2 DA N3 N 7.419 3.948 -4.176 1.00 . B B . 21 DA N3 1 1 1 351 2 2 2 DA N6 N 7.034 0.159 -2.768 1.00 . B B . 21 DA N6 1 1 1 352 2 2 2 DA N7 N 5.041 2.498 -1.882 1.00 . B B . 21 DA N7 1 1 1 353 2 2 2 DA N9 N 5.504 4.518 -2.764 1.00 . B B . 21 DA N9 1 1 1 354 2 2 2 DA O3' O 4.218 8.314 -0.512 1.00 . B B . 21 DA O3' 1 1 1 355 2 2 2 DA O4' O 6.626 6.546 -2.463 1.00 . B B . 21 DA O4' 1 1 1 356 2 2 2 DA O5' O 6.884 5.731 0.561 1.00 . B B . 21 DA O5' 1 1 1 357 2 2 2 DA OP1 O 8.121 6.404 2.622 1.00 . B B . 21 DA OP1 1 1 1 358 2 2 2 DA OP2 O 6.791 4.274 2.520 1.00 . B B . 21 DA OP2 1 1 1 359 2 2 2 DA P P 7.683 5.227 1.846 1.00 . B B . 21 DA P 1 1 1 360 2 2 3 DC C1' C -0.968 7.960 -0.166 1.00 . B B . 22 DC C1' 1 1 1 361 2 2 3 DC C2 C -0.100 8.407 -2.497 1.00 . B B . 22 DC C2 1 1 1 362 2 2 3 DC C2' C -0.789 7.175 1.162 1.00 . B B . 22 DC C2' 1 1 1 363 2 2 3 DC C3' C -0.320 8.198 2.198 1.00 . B B . 22 DC C3' 1 1 1 364 2 2 3 DC C4 C 1.039 6.819 -3.714 1.00 . B B . 22 DC C4 1 1 1 365 2 2 3 DC C4' C 0.068 9.407 1.347 1.00 . B B . 22 DC C4' 1 1 1 366 2 2 3 DC C5 C 0.895 5.861 -2.682 1.00 . B B . 22 DC C5 1 1 1 367 2 2 3 DC C5' C 1.552 9.586 0.996 1.00 . B B . 22 DC C5' 1 1 1 368 2 2 3 DC C6 C 0.305 6.271 -1.533 1.00 . B B . 22 DC C6 1 1 1 369 2 2 3 DC H1' H -2.019 7.902 -0.448 1.00 . B B . 22 DC H1' 1 1 1 370 2 2 3 DC H2' H -0.067 6.357 1.120 1.00 . B B . 22 DC H2' 1 1 1 371 2 2 3 DC H2'' H -1.741 6.755 1.477 1.00 . B B . 22 DC H2'' 1 1 1 372 2 2 3 DC H3' H 0.522 7.808 2.768 1.00 . B B . 22 DC H3' 1 1 1 373 2 2 3 DC H4' H -0.232 10.308 1.884 1.00 . B B . 22 DC H4' 1 1 1 374 2 2 3 DC H41 H 1.642 7.176 -5.568 1.00 . B B . 22 DC H41 1 1 1 375 2 2 3 DC H42 H 2.051 5.576 -4.936 1.00 . B B . 22 DC H42 1 1 1 376 2 2 3 DC H5 H 1.237 4.845 -2.787 1.00 . B B . 22 DC H5 1 1 1 377 2 2 3 DC H5' H 1.637 9.931 -0.034 1.00 . B B . 22 DC H5' 1 1 1 378 2 2 3 DC H5'' H 1.925 10.373 1.642 1.00 . B B . 22 DC H5'' 1 1 1 379 2 2 3 DC H6 H 0.164 5.567 -0.743 1.00 . B B . 22 DC H6 1 1 1 380 2 2 3 DC N1 N -0.164 7.552 -1.379 1.00 . B B . 22 DC N1 1 1 1 381 2 2 3 DC N3 N 0.563 8.043 -3.626 1.00 . B B . 22 DC N3 1 1 1 382 2 2 3 DC N4 N 1.657 6.503 -4.813 1.00 . B B . 22 DC N4 1 1 1 383 2 2 3 DC O2 O -0.669 9.496 -2.546 1.00 . B B . 22 DC O2 1 1 1 384 2 2 3 DC O3' O -1.391 8.592 3.046 1.00 . B B . 22 DC O3' 1 1 1 385 2 2 3 DC O4' O -0.718 9.312 0.174 1.00 . B B . 22 DC O4' 1 1 1 386 2 2 3 DC O5' O 2.378 8.448 1.176 1.00 . B B . 22 DC O5' 1 1 1 387 2 2 3 DC OP1 O 4.372 9.955 1.398 1.00 . B B . 22 DC OP1 1 1 1 388 2 2 3 DC OP2 O 4.558 7.457 1.814 1.00 . B B . 22 DC OP2 1 1 1 389 2 2 3 DC P P 3.963 8.572 1.055 1.00 . B B . 22 DC P 1 1 1 390 2 2 4 DG C1' C -0.625 3.649 4.713 1.00 . B B . 23 DG C1' 1 1 1 391 2 2 4 DG C2 C 2.697 6.688 4.754 1.00 . B B . 23 DG C2 1 1 1 392 2 2 4 DG C2' C -1.663 3.115 5.723 1.00 . B B . 23 DG C2' 1 1 1 393 2 2 4 DG C3' C -2.719 4.223 5.810 1.00 . B B . 23 DG C3' 1 1 1 394 2 2 4 DG C4 C 1.698 4.733 5.273 1.00 . B B . 23 DG C4 1 1 1 395 2 2 4 DG C4' C -2.414 5.131 4.616 1.00 . B B . 23 DG C4' 1 1 1 396 2 2 4 DG C5 C 2.824 4.253 5.914 1.00 . B B . 23 DG C5 1 1 1 397 2 2 4 DG C5' C -2.652 6.634 4.874 1.00 . B B . 23 DG C5' 1 1 1 398 2 2 4 DG C6 C 4.032 5.042 5.879 1.00 . B B . 23 DG C6 1 1 1 399 2 2 4 DG C8 C 1.343 2.743 6.088 1.00 . B B . 23 DG C8 1 1 1 400 2 2 4 DG H1 H 4.696 6.835 5.170 1.00 . B B . 23 DG H1 1 1 1 401 2 2 4 DG H1' H -0.628 2.997 3.836 1.00 . B B . 23 DG H1' 1 1 1 402 2 2 4 DG H2' H -1.225 3.001 6.712 1.00 . B B . 23 DG H2' 1 1 1 403 2 2 4 DG H2'' H -2.060 2.129 5.425 1.00 . B B . 23 DG H2'' 1 1 1 404 2 2 4 DG H21 H 3.493 8.480 4.373 1.00 . B B . 23 DG H21 1 1 1 405 2 2 4 DG H22 H 1.729 8.349 4.295 1.00 . B B . 23 DG H22 1 1 1 406 2 2 4 DG H3' H -2.532 4.797 6.715 1.00 . B B . 23 DG H3' 1 1 1 407 2 2 4 DG H4' H -3.061 4.815 3.798 1.00 . B B . 23 DG H4' 1 1 1 408 2 2 4 DG H5' H -3.040 7.060 3.951 1.00 . B B . 23 DG H5' 1 1 1 409 2 2 4 DG H5'' H -3.442 6.766 5.609 1.00 . B B . 23 DG H5'' 1 1 1 410 2 2 4 DG H8 H 0.858 1.817 6.339 1.00 . B B . 23 DG H8 1 1 1 411 2 2 4 DG N1 N 3.886 6.235 5.209 1.00 . B B . 23 DG N1 1 1 1 412 2 2 4 DG N2 N 2.655 7.938 4.402 1.00 . B B . 23 DG N2 1 1 1 413 2 2 4 DG N3 N 1.583 5.966 4.697 1.00 . B B . 23 DG N3 1 1 1 414 2 2 4 DG N7 N 2.559 3.000 6.460 1.00 . B B . 23 DG N7 1 1 1 415 2 2 4 DG N9 N 0.743 3.721 5.336 1.00 . B B . 23 DG N9 1 1 1 416 2 2 4 DG O3' O -4.046 3.686 5.796 1.00 . B B . 23 DG O3' 1 1 1 417 2 2 4 DG O4' O -1.070 4.900 4.242 1.00 . B B . 23 DG O4' 1 1 1 418 2 2 4 DG O5' O -1.485 7.356 5.266 1.00 . B B . 23 DG O5' 1 1 1 419 2 2 4 DG O6 O 5.156 4.792 6.314 1.00 . B B . 23 DG O6 1 1 1 420 2 2 4 DG OP1 O -2.308 9.694 5.071 1.00 . B B . 23 DG OP1 1 1 1 421 2 2 4 DG OP2 O 0.179 9.200 4.906 1.00 . B B . 23 DG OP2 1 1 1 422 2 2 4 DG P P -1.213 8.801 4.626 1.00 . B B . 23 DG P 1 1 1 423 2 2 5 DC C1' C -5.617 7.266 0.982 1.00 . B B . 24 DC C1' 1 1 1 424 2 2 5 DC C2 C -4.423 9.461 1.349 1.00 . B B . 24 DC C2 1 1 1 425 2 2 5 DC C2' C -4.621 6.232 1.433 1.00 . B B . 24 DC C2' 1 1 1 426 2 2 5 DC C3' C -5.627 5.198 1.935 1.00 . B B . 24 DC C3' 1 1 1 427 2 2 5 DC C4 C -3.836 10.784 -0.438 1.00 . B B . 24 DC C4 1 1 1 428 2 2 5 DC C4' C -6.673 6.094 2.630 1.00 . B B . 24 DC C4' 1 1 1 429 2 2 5 DC C5 C -4.562 9.963 -1.347 1.00 . B B . 24 DC C5 1 1 1 430 2 2 5 DC C5' C -6.695 5.918 4.169 1.00 . B B . 24 DC C5' 1 1 1 431 2 2 5 DC C6 C -5.163 8.860 -0.847 1.00 . B B . 24 DC C6 1 1 1 432 2 2 5 DC H1' H -6.115 6.737 0.167 1.00 . B B . 24 DC H1' 1 1 1 433 2 2 5 DC H2' H -4.011 6.614 2.243 1.00 . B B . 24 DC H2' 1 1 1 434 2 2 5 DC H2'' H -4.016 5.872 0.612 1.00 . B B . 24 DC H2'' 1 1 1 435 2 2 5 DC H3' H -5.129 4.561 2.651 1.00 . B B . 24 DC H3' 1 1 1 436 2 2 5 DC H4' H -7.669 5.840 2.288 1.00 . B B . 24 DC H4' 1 1 1 437 2 2 5 DC H41 H -2.627 12.323 -0.202 1.00 . B B . 24 DC H41 1 1 1 438 2 2 5 DC H42 H -3.237 12.074 -1.850 1.00 . B B . 24 DC H42 1 1 1 439 2 2 5 DC H5 H -4.652 10.190 -2.399 1.00 . B B . 24 DC H5 1 1 1 440 2 2 5 DC H5' H -7.053 6.823 4.649 1.00 . B B . 24 DC H5' 1 1 1 441 2 2 5 DC H5'' H -7.429 5.139 4.374 1.00 . B B . 24 DC H5'' 1 1 1 442 2 2 5 DC H6 H -5.727 8.219 -1.511 1.00 . B B . 24 DC H6 1 1 1 443 2 2 5 DC N1 N -5.056 8.553 0.484 1.00 . B B . 24 DC N1 1 1 1 444 2 2 5 DC N3 N -3.781 10.547 0.860 1.00 . B B . 24 DC N3 1 1 1 445 2 2 5 DC N4 N -3.198 11.829 -0.872 1.00 . B B . 24 DC N4 1 1 1 446 2 2 5 DC O2 O -4.440 9.341 2.574 1.00 . B B . 24 DC O2 1 1 1 447 2 2 5 DC O3' O -6.134 4.432 0.834 1.00 . B B . 24 DC O3' 1 1 1 448 2 2 5 DC O4' O -6.439 7.405 2.130 1.00 . B B . 24 DC O4' 1 1 1 449 2 2 5 DC O5' O -5.451 5.530 4.749 1.00 . B B . 24 DC O5' 1 1 1 450 2 2 5 DC OP1 O -5.018 5.457 7.247 1.00 . B B . 24 DC OP1 1 1 1 451 2 2 5 DC OP2 O -6.502 3.713 6.136 1.00 . B B . 24 DC OP2 1 1 1 452 2 2 5 DC P P -5.334 4.614 6.074 1.00 . B B . 24 DC P 1 1 1 453 2 2 6 DC C1' C -9.940 7.540 -1.766 1.00 . B B . 25 DC C1' 1 1 1 454 2 2 6 DC C2 C -11.468 9.415 -1.229 1.00 . B B . 25 DC C2 1 1 1 455 2 2 6 DC C2' C -8.429 7.409 -1.947 1.00 . B B . 25 DC C2' 1 1 1 456 2 2 6 DC C3' C -8.325 6.007 -2.532 1.00 . B B . 25 DC C3' 1 1 1 457 2 2 6 DC C4 C -11.247 10.690 0.659 1.00 . B B . 25 DC C4 1 1 1 458 2 2 6 DC C4' C -9.574 5.307 -1.960 1.00 . B B . 25 DC C4' 1 1 1 459 2 2 6 DC C5 C -10.127 9.941 1.097 1.00 . B B . 25 DC C5 1 1 1 460 2 2 6 DC C5' C -9.233 4.157 -1.019 1.00 . B B . 25 DC C5' 1 1 1 461 2 2 6 DC C6 C -9.719 8.906 0.329 1.00 . B B . 25 DC C6 1 1 1 462 2 2 6 DC H1' H -10.372 7.703 -2.759 1.00 . B B . 25 DC H1' 1 1 1 463 2 2 6 DC H2' H -7.907 7.428 -0.994 1.00 . B B . 25 DC H2' 1 1 1 464 2 2 6 DC H2'' H -8.041 8.177 -2.614 1.00 . B B . 25 DC H2'' 1 1 1 465 2 2 6 DC H3' H -7.400 5.526 -2.201 1.00 . B B . 25 DC H3' 1 1 1 466 2 2 6 DC H4' H -10.155 4.898 -2.787 1.00 . B B . 25 DC H4' 1 1 1 467 2 2 6 DC H41 H -12.612 12.016 1.130 1.00 . B B . 25 DC H41 1 1 1 468 2 2 6 DC H42 H -11.368 11.742 2.353 1.00 . B B . 25 DC H42 1 1 1 469 2 2 6 DC H5 H -9.615 10.154 2.019 1.00 . B B . 25 DC H5 1 1 1 470 2 2 6 DC H5' H -10.155 3.678 -0.698 1.00 . B B . 25 DC H5' 1 1 1 471 2 2 6 DC H5'' H -8.663 3.436 -1.602 1.00 . B B . 25 DC H5'' 1 1 1 472 2 2 6 DC H6 H -8.898 8.285 0.667 1.00 . B B . 25 DC H6 1 1 1 473 2 2 6 DC HO3' H -7.862 6.830 -4.291 1.00 . B B . 25 DC HO3' 1 1 1 474 2 2 6 DC N1 N -10.373 8.630 -0.848 1.00 . B B . 25 DC N1 1 1 1 475 2 2 6 DC N3 N -11.891 10.449 -0.465 1.00 . B B . 25 DC N3 1 1 1 476 2 2 6 DC N4 N -11.734 11.620 1.420 1.00 . B B . 25 DC N4 1 1 1 477 2 2 6 DC O2 O -12.075 9.191 -2.277 1.00 . B B . 25 DC O2 1 1 1 478 2 2 6 DC O3' O -8.391 6.068 -3.949 1.00 . B B . 25 DC O3' 1 1 1 479 2 2 6 DC O4' O -10.360 6.281 -1.287 1.00 . B B . 25 DC O4' 1 1 1 480 2 2 6 DC O5' O -8.488 4.582 0.120 1.00 . B B . 25 DC O5' 1 1 1 481 2 2 6 DC OP1 O -7.994 3.470 2.285 1.00 . B B . 25 DC OP1 1 1 1 482 2 2 6 DC OP2 O -7.402 2.338 0.091 1.00 . B B . 25 DC OP2 1 1 1 483 2 2 6 DC P P -7.503 3.572 0.892 1.00 . B B . 25 DC P 1 1 1 484 3 3 1 ZN ZN ZN -0.077 -4.061 -0.513 1.00 . C A . 26 ZN ZN 1 1 2 485 1 1 1 LYS C C -4.733 -11.058 4.119 1.00 . A A . 1 LYS C 1 1 2 486 1 1 1 LYS CA C -6.015 -11.426 4.894 1.00 . A A . 1 LYS CA 1 1 2 487 1 1 1 LYS CB C -7.219 -11.638 3.935 1.00 . A A . 1 LYS CB 1 1 2 488 1 1 1 LYS CD C -8.941 -13.449 4.701 1.00 . A A . 1 LYS CD 1 1 2 489 1 1 1 LYS CE C -10.339 -13.621 5.318 1.00 . A A . 1 LYS CE 1 1 2 490 1 1 1 LYS CG C -8.582 -11.961 4.579 1.00 . A A . 1 LYS CG 1 1 2 491 1 1 1 LYS H1 H -5.527 -10.183 6.503 1.00 . A A . 1 LYS H1 1 1 2 492 1 1 1 LYS H2 H -7.058 -10.753 6.554 1.00 . A A . 1 LYS H2 1 1 2 493 1 1 1 LYS H3 H -6.651 -9.555 5.498 1.00 . A A . 1 LYS H3 1 1 2 494 1 1 1 LYS HA H -5.815 -12.371 5.392 1.00 . A A . 1 LYS HA 1 1 2 495 1 1 1 LYS HB2 H -7.346 -10.720 3.359 1.00 . A A . 1 LYS HB2 1 1 2 496 1 1 1 LYS HB3 H -6.976 -12.427 3.220 1.00 . A A . 1 LYS HB3 1 1 2 497 1 1 1 LYS HD2 H -8.950 -13.890 3.700 1.00 . A A . 1 LYS HD2 1 1 2 498 1 1 1 LYS HD3 H -8.201 -13.981 5.302 1.00 . A A . 1 LYS HD3 1 1 2 499 1 1 1 LYS HE2 H -11.028 -12.925 4.830 1.00 . A A . 1 LYS HE2 1 1 2 500 1 1 1 LYS HE3 H -10.691 -14.637 5.116 1.00 . A A . 1 LYS HE3 1 1 2 501 1 1 1 LYS HG2 H -8.638 -11.502 5.559 1.00 . A A . 1 LYS HG2 1 1 2 502 1 1 1 LYS HG3 H -9.352 -11.498 3.956 1.00 . A A . 1 LYS HG3 1 1 2 503 1 1 1 LYS HZ1 H -11.309 -13.337 7.125 1.00 . A A . 1 LYS HZ1 1 1 2 504 1 1 1 LYS HZ2 H -9.914 -12.517 7.028 1.00 . A A . 1 LYS HZ2 1 1 2 505 1 1 1 LYS HZ3 H -9.893 -14.171 7.257 1.00 . A A . 1 LYS HZ3 1 1 2 506 1 1 1 LYS N N -6.332 -10.413 5.935 1.00 . A A . 1 LYS N 1 1 2 507 1 1 1 LYS NZ N -10.353 -13.396 6.782 1.00 . A A . 1 LYS NZ 1 1 2 508 1 1 1 LYS O O -4.667 -11.221 2.898 1.00 . A A . 1 LYS O 1 1 2 509 1 1 2 GLY C C -1.998 -8.847 4.095 1.00 . A A . 2 GLY C 1 1 2 510 1 1 2 GLY CA C -2.363 -10.330 4.186 1.00 . A A . 2 GLY CA 1 1 2 511 1 1 2 GLY H H -3.754 -10.402 5.784 1.00 . A A . 2 GLY H 1 1 2 512 1 1 2 GLY HA2 H -1.595 -10.827 4.779 1.00 . A A . 2 GLY HA2 1 1 2 513 1 1 2 GLY HA3 H -2.337 -10.749 3.186 1.00 . A A . 2 GLY HA3 1 1 2 514 1 1 2 GLY N N -3.669 -10.607 4.796 1.00 . A A . 2 GLY N 1 1 2 515 1 1 2 GLY O O -1.900 -8.181 5.126 1.00 . A A . 2 GLY O 1 1 2 516 1 1 3 CYS C C -2.904 -6.168 3.149 1.00 . A A . 3 CYS C 1 1 2 517 1 1 3 CYS CA C -1.628 -6.880 2.670 1.00 . A A . 3 CYS CA 1 1 2 518 1 1 3 CYS CB C -1.348 -6.550 1.187 1.00 . A A . 3 CYS CB 1 1 2 519 1 1 3 CYS H H -1.889 -8.913 2.073 1.00 . A A . 3 CYS H 1 1 2 520 1 1 3 CYS HA H -0.787 -6.527 3.264 1.00 . A A . 3 CYS HA 1 1 2 521 1 1 3 CYS HB2 H -1.004 -7.450 0.685 1.00 . A A . 3 CYS HB2 1 1 2 522 1 1 3 CYS HB3 H -2.291 -6.257 0.742 1.00 . A A . 3 CYS HB3 1 1 2 523 1 1 3 CYS N N -1.771 -8.327 2.877 1.00 . A A . 3 CYS N 1 1 2 524 1 1 3 CYS O O -3.988 -6.750 3.239 1.00 . A A . 3 CYS O 1 1 2 525 1 1 3 CYS SG S -0.168 -5.171 0.911 1.00 . A A . 3 CYS SG 1 1 2 526 1 1 4 TRP C C -4.771 -3.585 2.687 1.00 . A A . 4 TRP C 1 1 2 527 1 1 4 TRP CA C -3.853 -4.007 3.840 1.00 . A A . 4 TRP CA 1 1 2 528 1 1 4 TRP CB C -3.185 -2.805 4.487 1.00 . A A . 4 TRP CB 1 1 2 529 1 1 4 TRP CD1 C -5.157 -1.334 5.131 1.00 . A A . 4 TRP CD1 1 1 2 530 1 1 4 TRP CD2 C -3.556 -0.301 3.963 1.00 . A A . 4 TRP CD2 1 1 2 531 1 1 4 TRP CE2 C -4.603 0.632 4.154 1.00 . A A . 4 TRP CE2 1 1 2 532 1 1 4 TRP CE3 C -2.422 0.102 3.243 1.00 . A A . 4 TRP CE3 1 1 2 533 1 1 4 TRP CG C -3.954 -1.548 4.555 1.00 . A A . 4 TRP CG 1 1 2 534 1 1 4 TRP CH2 C -3.440 2.275 2.825 1.00 . A A . 4 TRP CH2 1 1 2 535 1 1 4 TRP CZ2 C -4.565 1.897 3.585 1.00 . A A . 4 TRP CZ2 1 1 2 536 1 1 4 TRP CZ3 C -2.367 1.378 2.684 1.00 . A A . 4 TRP CZ3 1 1 2 537 1 1 4 TRP H H -1.836 -4.495 3.298 1.00 . A A . 4 TRP H 1 1 2 538 1 1 4 TRP HA H -4.473 -4.513 4.582 1.00 . A A . 4 TRP HA 1 1 2 539 1 1 4 TRP HB2 H -2.899 -3.040 5.490 1.00 . A A . 4 TRP HB2 1 1 2 540 1 1 4 TRP HB3 H -2.263 -2.586 3.948 1.00 . A A . 4 TRP HB3 1 1 2 541 1 1 4 TRP HD1 H -5.744 -2.077 5.648 1.00 . A A . 4 TRP HD1 1 1 2 542 1 1 4 TRP HE1 H -6.423 0.362 5.235 1.00 . A A . 4 TRP HE1 1 1 2 543 1 1 4 TRP HE3 H -1.600 -0.582 3.094 1.00 . A A . 4 TRP HE3 1 1 2 544 1 1 4 TRP HH2 H -3.391 3.244 2.349 1.00 . A A . 4 TRP HH2 1 1 2 545 1 1 4 TRP HZ2 H -5.403 2.543 3.776 1.00 . A A . 4 TRP HZ2 1 1 2 546 1 1 4 TRP HZ3 H -1.486 1.632 2.137 1.00 . A A . 4 TRP HZ3 1 1 2 547 1 1 4 TRP N N -2.764 -4.881 3.412 1.00 . A A . 4 TRP N 1 1 2 548 1 1 4 TRP NE1 N -5.536 -0.027 4.917 1.00 . A A . 4 TRP NE1 1 1 2 549 1 1 4 TRP O O -5.990 -3.488 2.871 1.00 . A A . 4 TRP O 1 1 2 550 1 1 5 LYS C C -4.828 -3.883 -0.846 1.00 . A A . 5 LYS C 1 1 2 551 1 1 5 LYS CA C -4.922 -2.878 0.299 1.00 . A A . 5 LYS CA 1 1 2 552 1 1 5 LYS CB C -4.492 -1.448 -0.085 1.00 . A A . 5 LYS CB 1 1 2 553 1 1 5 LYS CD C -3.360 -1.377 -2.435 1.00 . A A . 5 LYS CD 1 1 2 554 1 1 5 LYS CE C -4.009 -0.117 -3.022 1.00 . A A . 5 LYS CE 1 1 2 555 1 1 5 LYS CG C -3.195 -1.306 -0.902 1.00 . A A . 5 LYS CG 1 1 2 556 1 1 5 LYS H H -3.190 -3.387 1.469 1.00 . A A . 5 LYS H 1 1 2 557 1 1 5 LYS HA H -5.987 -2.830 0.538 1.00 . A A . 5 LYS HA 1 1 2 558 1 1 5 LYS HB2 H -5.307 -0.965 -0.621 1.00 . A A . 5 LYS HB2 1 1 2 559 1 1 5 LYS HB3 H -4.341 -0.893 0.841 1.00 . A A . 5 LYS HB3 1 1 2 560 1 1 5 LYS HD2 H -2.361 -1.454 -2.863 1.00 . A A . 5 LYS HD2 1 1 2 561 1 1 5 LYS HD3 H -3.904 -2.268 -2.742 1.00 . A A . 5 LYS HD3 1 1 2 562 1 1 5 LYS HE2 H -3.811 0.738 -2.369 1.00 . A A . 5 LYS HE2 1 1 2 563 1 1 5 LYS HE3 H -3.507 0.120 -3.963 1.00 . A A . 5 LYS HE3 1 1 2 564 1 1 5 LYS HG2 H -2.735 -0.348 -0.660 1.00 . A A . 5 LYS HG2 1 1 2 565 1 1 5 LYS HG3 H -2.498 -2.073 -0.575 1.00 . A A . 5 LYS HG3 1 1 2 566 1 1 5 LYS HZ1 H -5.629 -0.144 -4.278 1.00 . A A . 5 LYS HZ1 1 1 2 567 1 1 5 LYS HZ2 H -5.978 0.496 -2.806 1.00 . A A . 5 LYS HZ2 1 1 2 568 1 1 5 LYS HZ3 H -5.865 -1.133 -3.007 1.00 . A A . 5 LYS HZ3 1 1 2 569 1 1 5 LYS N N -4.193 -3.310 1.510 1.00 . A A . 5 LYS N 1 1 2 570 1 1 5 LYS NZ N -5.464 -0.241 -3.280 1.00 . A A . 5 LYS NZ 1 1 2 571 1 1 5 LYS O O -5.794 -4.037 -1.589 1.00 . A A . 5 LYS O 1 1 2 572 1 1 6 CYS C C -4.115 -6.748 -2.056 1.00 . A A . 6 CYS C 1 1 2 573 1 1 6 CYS CA C -3.374 -5.401 -2.121 1.00 . A A . 6 CYS CA 1 1 2 574 1 1 6 CYS CB C -1.850 -5.583 -2.184 1.00 . A A . 6 CYS CB 1 1 2 575 1 1 6 CYS H H -2.908 -4.299 -0.399 1.00 . A A . 6 CYS H 1 1 2 576 1 1 6 CYS HA H -3.688 -4.881 -3.028 1.00 . A A . 6 CYS HA 1 1 2 577 1 1 6 CYS HB2 H -1.539 -6.336 -1.458 1.00 . A A . 6 CYS HB2 1 1 2 578 1 1 6 CYS HB3 H -1.616 -5.946 -3.180 1.00 . A A . 6 CYS HB3 1 1 2 579 1 1 6 CYS N N -3.687 -4.557 -0.980 1.00 . A A . 6 CYS N 1 1 2 580 1 1 6 CYS O O -4.773 -7.141 -3.016 1.00 . A A . 6 CYS O 1 1 2 581 1 1 6 CYS SG S -0.956 -4.034 -1.874 1.00 . A A . 6 CYS SG 1 1 2 582 1 1 7 GLY C C -3.823 -9.937 -0.984 1.00 . A A . 7 GLY C 1 1 2 583 1 1 7 GLY CA C -4.676 -8.716 -0.646 1.00 . A A . 7 GLY CA 1 1 2 584 1 1 7 GLY H H -3.548 -6.986 -0.166 1.00 . A A . 7 GLY H 1 1 2 585 1 1 7 GLY HA2 H -4.945 -8.761 0.411 1.00 . A A . 7 GLY HA2 1 1 2 586 1 1 7 GLY HA3 H -5.585 -8.772 -1.237 1.00 . A A . 7 GLY HA3 1 1 2 587 1 1 7 GLY N N -4.017 -7.439 -0.921 1.00 . A A . 7 GLY N 1 1 2 588 1 1 7 GLY O O -4.333 -10.877 -1.594 1.00 . A A . 7 GLY O 1 1 2 589 1 1 8 LYS C C -0.535 -11.463 -0.187 1.00 . A A . 8 LYS C 1 1 2 590 1 1 8 LYS CA C -1.528 -10.876 -1.201 1.00 . A A . 8 LYS CA 1 1 2 591 1 1 8 LYS CB C -0.750 -10.279 -2.381 1.00 . A A . 8 LYS CB 1 1 2 592 1 1 8 LYS CD C -0.795 -9.143 -4.669 1.00 . A A . 8 LYS CD 1 1 2 593 1 1 8 LYS CE C -0.188 -7.741 -4.554 1.00 . A A . 8 LYS CE 1 1 2 594 1 1 8 LYS CG C -1.622 -9.623 -3.466 1.00 . A A . 8 LYS CG 1 1 2 595 1 1 8 LYS H H -2.167 -9.049 -0.262 1.00 . A A . 8 LYS H 1 1 2 596 1 1 8 LYS HA H -2.076 -11.735 -1.573 1.00 . A A . 8 LYS HA 1 1 2 597 1 1 8 LYS HB2 H -0.044 -9.561 -1.974 1.00 . A A . 8 LYS HB2 1 1 2 598 1 1 8 LYS HB3 H -0.178 -11.082 -2.848 1.00 . A A . 8 LYS HB3 1 1 2 599 1 1 8 LYS HD2 H 0.001 -9.859 -4.862 1.00 . A A . 8 LYS HD2 1 1 2 600 1 1 8 LYS HD3 H -1.459 -9.134 -5.531 1.00 . A A . 8 LYS HD3 1 1 2 601 1 1 8 LYS HE2 H 0.442 -7.569 -5.430 1.00 . A A . 8 LYS HE2 1 1 2 602 1 1 8 LYS HE3 H -0.995 -7.006 -4.587 1.00 . A A . 8 LYS HE3 1 1 2 603 1 1 8 LYS HG2 H -2.336 -10.368 -3.820 1.00 . A A . 8 LYS HG2 1 1 2 604 1 1 8 LYS HG3 H -2.176 -8.776 -3.061 1.00 . A A . 8 LYS HG3 1 1 2 605 1 1 8 LYS HZ1 H 1.129 -6.698 -3.298 1.00 . A A . 8 LYS HZ1 1 1 2 606 1 1 8 LYS HZ2 H 1.350 -8.297 -3.279 1.00 . A A . 8 LYS HZ2 1 1 2 607 1 1 8 LYS HZ3 H 0.083 -7.662 -2.485 1.00 . A A . 8 LYS HZ3 1 1 2 608 1 1 8 LYS N N -2.513 -9.897 -0.685 1.00 . A A . 8 LYS N 1 1 2 609 1 1 8 LYS NZ N 0.627 -7.577 -3.332 1.00 . A A . 8 LYS NZ 1 1 2 610 1 1 8 LYS O O 0.430 -12.116 -0.576 1.00 . A A . 8 LYS O 1 1 2 611 1 1 9 GLU C C 1.625 -11.457 2.046 1.00 . A A . 9 GLU C 1 1 2 612 1 1 9 GLU CA C 0.111 -11.758 2.193 1.00 . A A . 9 GLU CA 1 1 2 613 1 1 9 GLU CB C -0.221 -13.247 2.404 1.00 . A A . 9 GLU CB 1 1 2 614 1 1 9 GLU CD C -2.128 -14.927 2.724 1.00 . A A . 9 GLU CD 1 1 2 615 1 1 9 GLU CG C -1.680 -13.469 2.850 1.00 . A A . 9 GLU CG 1 1 2 616 1 1 9 GLU H H -1.625 -10.809 1.345 1.00 . A A . 9 GLU H 1 1 2 617 1 1 9 GLU HA H -0.155 -11.253 3.116 1.00 . A A . 9 GLU HA 1 1 2 618 1 1 9 GLU HB2 H -0.043 -13.788 1.475 1.00 . A A . 9 GLU HB2 1 1 2 619 1 1 9 GLU HB3 H 0.445 -13.649 3.164 1.00 . A A . 9 GLU HB3 1 1 2 620 1 1 9 GLU HG2 H -1.789 -13.146 3.884 1.00 . A A . 9 GLU HG2 1 1 2 621 1 1 9 GLU HG3 H -2.348 -12.862 2.239 1.00 . A A . 9 GLU HG3 1 1 2 622 1 1 9 GLU N N -0.738 -11.218 1.107 1.00 . A A . 9 GLU N 1 1 2 623 1 1 9 GLU O O 2.480 -12.217 2.519 1.00 . A A . 9 GLU O 1 1 2 624 1 1 9 GLU OE1 O -1.463 -15.842 3.265 1.00 . A A . 9 GLU OE1 1 1 2 625 1 1 9 GLU OE2 O -3.167 -15.195 2.072 1.00 . A A . 9 GLU OE2 1 1 2 626 1 1 10 GLY C C 3.999 -9.175 2.180 1.00 . A A . 10 GLY C 1 1 2 627 1 1 10 GLY CA C 3.336 -9.963 1.052 1.00 . A A . 10 GLY CA 1 1 2 628 1 1 10 GLY H H 1.236 -9.741 1.039 1.00 . A A . 10 GLY H 1 1 2 629 1 1 10 GLY HA2 H 3.932 -10.849 0.842 1.00 . A A . 10 GLY HA2 1 1 2 630 1 1 10 GLY HA3 H 3.329 -9.337 0.160 1.00 . A A . 10 GLY HA3 1 1 2 631 1 1 10 GLY N N 1.965 -10.353 1.369 1.00 . A A . 10 GLY N 1 1 2 632 1 1 10 GLY O O 5.159 -9.422 2.497 1.00 . A A . 10 GLY O 1 1 2 633 1 1 11 HIS C C 2.543 -6.731 4.636 1.00 . A A . 11 HIS C 1 1 2 634 1 1 11 HIS CA C 3.722 -7.430 3.927 1.00 . A A . 11 HIS CA 1 1 2 635 1 1 11 HIS CB C 4.740 -6.389 3.413 1.00 . A A . 11 HIS CB 1 1 2 636 1 1 11 HIS CD2 C 3.112 -5.008 1.995 1.00 . A A . 11 HIS CD2 1 1 2 637 1 1 11 HIS CE1 C 4.243 -4.855 0.135 1.00 . A A . 11 HIS CE1 1 1 2 638 1 1 11 HIS CG C 4.293 -5.674 2.167 1.00 . A A . 11 HIS CG 1 1 2 639 1 1 11 HIS H H 2.307 -8.116 2.499 1.00 . A A . 11 HIS H 1 1 2 640 1 1 11 HIS HA H 4.206 -8.076 4.654 1.00 . A A . 11 HIS HA 1 1 2 641 1 1 11 HIS HB2 H 4.928 -5.647 4.193 1.00 . A A . 11 HIS HB2 1 1 2 642 1 1 11 HIS HB3 H 5.688 -6.884 3.213 1.00 . A A . 11 HIS HB3 1 1 2 643 1 1 11 HIS HD1 H 5.947 -5.876 0.806 1.00 . A A . 11 HIS HD1 1 1 2 644 1 1 11 HIS HD2 H 2.362 -4.795 2.745 1.00 . A A . 11 HIS HD2 1 1 2 645 1 1 11 HIS HE1 H 4.544 -4.513 -0.842 1.00 . A A . 11 HIS HE1 1 1 2 646 1 1 11 HIS N N 3.263 -8.253 2.803 1.00 . A A . 11 HIS N 1 1 2 647 1 1 11 HIS ND1 N 4.993 -5.569 0.986 1.00 . A A . 11 HIS ND1 1 1 2 648 1 1 11 HIS NE2 N 3.067 -4.551 0.684 1.00 . A A . 11 HIS NE2 1 1 2 649 1 1 11 HIS O O 1.377 -7.039 4.396 1.00 . A A . 11 HIS O 1 1 2 650 1 1 12 GLN C C 2.097 -3.421 5.714 1.00 . A A . 12 GLN C 1 1 2 651 1 1 12 GLN CA C 1.963 -4.866 6.202 1.00 . A A . 12 GLN CA 1 1 2 652 1 1 12 GLN CB C 2.282 -5.025 7.693 1.00 . A A . 12 GLN CB 1 1 2 653 1 1 12 GLN CD C 1.548 -5.887 9.931 1.00 . A A . 12 GLN CD 1 1 2 654 1 1 12 GLN CG C 1.109 -5.575 8.507 1.00 . A A . 12 GLN CG 1 1 2 655 1 1 12 GLN H H 3.852 -5.591 5.634 1.00 . A A . 12 GLN H 1 1 2 656 1 1 12 GLN HA H 0.917 -5.087 6.018 1.00 . A A . 12 GLN HA 1 1 2 657 1 1 12 GLN HB2 H 3.127 -5.701 7.835 1.00 . A A . 12 GLN HB2 1 1 2 658 1 1 12 GLN HB3 H 2.599 -4.063 8.063 1.00 . A A . 12 GLN HB3 1 1 2 659 1 1 12 GLN HE21 H 1.210 -4.003 10.642 1.00 . A A . 12 GLN HE21 1 1 2 660 1 1 12 GLN HE22 H 1.922 -5.168 11.740 1.00 . A A . 12 GLN HE22 1 1 2 661 1 1 12 GLN HG2 H 0.288 -4.864 8.521 1.00 . A A . 12 GLN HG2 1 1 2 662 1 1 12 GLN HG3 H 0.757 -6.501 8.047 1.00 . A A . 12 GLN HG3 1 1 2 663 1 1 12 GLN N N 2.861 -5.760 5.487 1.00 . A A . 12 GLN N 1 1 2 664 1 1 12 GLN NE2 N 1.512 -4.945 10.849 1.00 . A A . 12 GLN NE2 1 1 2 665 1 1 12 GLN O O 2.904 -3.098 4.847 1.00 . A A . 12 GLN O 1 1 2 666 1 1 12 GLN OE1 O 1.955 -6.998 10.241 1.00 . A A . 12 GLN OE1 1 1 2 667 1 1 13 MET C C 2.257 -0.329 5.630 1.00 . A A . 13 MET C 1 1 2 668 1 1 13 MET CA C 1.012 -1.197 5.716 1.00 . A A . 13 MET CA 1 1 2 669 1 1 13 MET CB C -0.076 -0.482 6.525 1.00 . A A . 13 MET CB 1 1 2 670 1 1 13 MET CE C -2.438 -3.216 8.631 1.00 . A A . 13 MET CE 1 1 2 671 1 1 13 MET CG C -1.186 -1.411 6.987 1.00 . A A . 13 MET CG 1 1 2 672 1 1 13 MET H H 0.652 -2.853 6.993 1.00 . A A . 13 MET H 1 1 2 673 1 1 13 MET HA H 0.642 -1.286 4.700 1.00 . A A . 13 MET HA 1 1 2 674 1 1 13 MET HB2 H 0.354 -0.003 7.401 1.00 . A A . 13 MET HB2 1 1 2 675 1 1 13 MET HB3 H -0.509 0.267 5.863 1.00 . A A . 13 MET HB3 1 1 2 676 1 1 13 MET HE1 H -2.526 -3.860 7.771 1.00 . A A . 13 MET HE1 1 1 2 677 1 1 13 MET HE2 H -2.461 -3.821 9.524 1.00 . A A . 13 MET HE2 1 1 2 678 1 1 13 MET HE3 H -3.275 -2.538 8.640 1.00 . A A . 13 MET HE3 1 1 2 679 1 1 13 MET HG2 H -2.108 -0.865 7.075 1.00 . A A . 13 MET HG2 1 1 2 680 1 1 13 MET HG3 H -1.316 -2.120 6.192 1.00 . A A . 13 MET HG3 1 1 2 681 1 1 13 MET N N 1.267 -2.533 6.259 1.00 . A A . 13 MET N 1 1 2 682 1 1 13 MET O O 2.398 0.401 4.653 1.00 . A A . 13 MET O 1 1 2 683 1 1 13 MET SD S -0.903 -2.288 8.542 1.00 . A A . 13 MET SD 1 1 2 684 1 1 14 LYS C C 5.385 -0.150 5.519 1.00 . A A . 14 LYS C 1 1 2 685 1 1 14 LYS CA C 4.452 0.241 6.661 1.00 . A A . 14 LYS CA 1 1 2 686 1 1 14 LYS CB C 5.094 -0.021 8.028 1.00 . A A . 14 LYS CB 1 1 2 687 1 1 14 LYS CD C 4.620 0.275 10.536 1.00 . A A . 14 LYS CD 1 1 2 688 1 1 14 LYS CE C 3.261 -0.015 11.201 1.00 . A A . 14 LYS CE 1 1 2 689 1 1 14 LYS CG C 4.531 0.901 9.129 1.00 . A A . 14 LYS CG 1 1 2 690 1 1 14 LYS H H 2.973 -1.137 7.326 1.00 . A A . 14 LYS H 1 1 2 691 1 1 14 LYS HA H 4.298 1.309 6.549 1.00 . A A . 14 LYS HA 1 1 2 692 1 1 14 LYS HB2 H 4.924 -1.058 8.285 1.00 . A A . 14 LYS HB2 1 1 2 693 1 1 14 LYS HB3 H 6.177 0.110 7.955 1.00 . A A . 14 LYS HB3 1 1 2 694 1 1 14 LYS HD2 H 5.205 -0.645 10.499 1.00 . A A . 14 LYS HD2 1 1 2 695 1 1 14 LYS HD3 H 5.164 0.964 11.184 1.00 . A A . 14 LYS HD3 1 1 2 696 1 1 14 LYS HE2 H 3.448 -0.575 12.123 1.00 . A A . 14 LYS HE2 1 1 2 697 1 1 14 LYS HE3 H 2.785 0.931 11.470 1.00 . A A . 14 LYS HE3 1 1 2 698 1 1 14 LYS HG2 H 5.094 1.833 9.117 1.00 . A A . 14 LYS HG2 1 1 2 699 1 1 14 LYS HG3 H 3.494 1.154 8.905 1.00 . A A . 14 LYS HG3 1 1 2 700 1 1 14 LYS HZ1 H 1.589 -1.199 10.870 1.00 . A A . 14 LYS HZ1 1 1 2 701 1 1 14 LYS HZ2 H 2.861 -1.561 9.901 1.00 . A A . 14 LYS HZ2 1 1 2 702 1 1 14 LYS HZ3 H 1.922 -0.170 9.647 1.00 . A A . 14 LYS HZ3 1 1 2 703 1 1 14 LYS N N 3.157 -0.452 6.611 1.00 . A A . 14 LYS N 1 1 2 704 1 1 14 LYS NZ N 2.350 -0.793 10.332 1.00 . A A . 14 LYS NZ 1 1 2 705 1 1 14 LYS O O 6.253 0.642 5.161 1.00 . A A . 14 LYS O 1 1 2 706 1 1 15 ASP C C 5.139 -1.726 2.455 1.00 . A A . 15 ASP C 1 1 2 707 1 1 15 ASP CA C 5.915 -1.858 3.787 1.00 . A A . 15 ASP CA 1 1 2 708 1 1 15 ASP CB C 6.279 -3.314 4.095 1.00 . A A . 15 ASP CB 1 1 2 709 1 1 15 ASP CG C 7.742 -3.503 4.486 1.00 . A A . 15 ASP CG 1 1 2 710 1 1 15 ASP H H 4.424 -1.922 5.297 1.00 . A A . 15 ASP H 1 1 2 711 1 1 15 ASP HA H 6.845 -1.312 3.670 1.00 . A A . 15 ASP HA 1 1 2 712 1 1 15 ASP HB2 H 5.640 -3.681 4.900 1.00 . A A . 15 ASP HB2 1 1 2 713 1 1 15 ASP HB3 H 6.100 -3.912 3.204 1.00 . A A . 15 ASP HB3 1 1 2 714 1 1 15 ASP N N 5.174 -1.333 4.936 1.00 . A A . 15 ASP N 1 1 2 715 1 1 15 ASP O O 5.769 -1.648 1.392 1.00 . A A . 15 ASP O 1 1 2 716 1 1 15 ASP OD1 O 8.568 -3.661 3.557 1.00 . A A . 15 ASP OD1 1 1 2 717 1 1 15 ASP OD2 O 8.071 -3.564 5.695 1.00 . A A . 15 ASP OD2 1 1 2 718 1 1 16 CYS C C 2.819 0.013 1.042 1.00 . A A . 16 CYS C 1 1 2 719 1 1 16 CYS CA C 2.877 -1.476 1.409 1.00 . A A . 16 CYS CA 1 1 2 720 1 1 16 CYS CB C 1.500 -2.068 1.798 1.00 . A A . 16 CYS CB 1 1 2 721 1 1 16 CYS H H 3.379 -1.793 3.427 1.00 . A A . 16 CYS H 1 1 2 722 1 1 16 CYS HA H 3.248 -2.037 0.562 1.00 . A A . 16 CYS HA 1 1 2 723 1 1 16 CYS HB2 H 1.599 -3.097 2.076 1.00 . A A . 16 CYS HB2 1 1 2 724 1 1 16 CYS HB3 H 1.185 -1.635 2.728 1.00 . A A . 16 CYS HB3 1 1 2 725 1 1 16 CYS N N 3.801 -1.676 2.519 1.00 . A A . 16 CYS N 1 1 2 726 1 1 16 CYS O O 3.438 0.456 0.070 1.00 . A A . 16 CYS O 1 1 2 727 1 1 16 CYS SG S 0.215 -1.941 0.527 1.00 . A A . 16 CYS SG 1 1 2 728 1 1 17 THR C C 1.235 2.419 0.187 1.00 . A A . 17 THR C 1 1 2 729 1 1 17 THR CA C 1.660 2.155 1.646 1.00 . A A . 17 THR CA 1 1 2 730 1 1 17 THR CB C 2.656 3.147 2.293 1.00 . A A . 17 THR CB 1 1 2 731 1 1 17 THR CG2 C 4.118 2.976 1.897 1.00 . A A . 17 THR CG2 1 1 2 732 1 1 17 THR H H 1.772 0.317 2.710 1.00 . A A . 17 THR H 1 1 2 733 1 1 17 THR HA H 0.748 2.282 2.221 1.00 . A A . 17 THR HA 1 1 2 734 1 1 17 THR HB H 2.616 2.976 3.367 1.00 . A A . 17 THR HB 1 1 2 735 1 1 17 THR HG1 H 1.995 4.893 2.912 1.00 . A A . 17 THR HG1 1 1 2 736 1 1 17 THR HG21 H 4.191 2.852 0.821 1.00 . A A . 17 THR HG21 1 1 2 737 1 1 17 THR HG22 H 4.524 2.085 2.380 1.00 . A A . 17 THR HG22 1 1 2 738 1 1 17 THR HG23 H 4.701 3.837 2.219 1.00 . A A . 17 THR HG23 1 1 2 739 1 1 17 THR N N 2.070 0.764 1.855 1.00 . A A . 17 THR N 1 1 2 740 1 1 17 THR O O 1.630 3.404 -0.411 1.00 . A A . 17 THR O 1 1 2 741 1 1 17 THR OG1 O 2.276 4.493 2.077 1.00 . A A . 17 THR OG1 1 1 2 742 1 1 18 GLU C C -1.384 2.281 -2.111 1.00 . A A . 18 GLU C 1 1 2 743 1 1 18 GLU CA C 0.006 1.660 -1.841 1.00 . A A . 18 GLU CA 1 1 2 744 1 1 18 GLU CB C 0.148 0.310 -2.564 1.00 . A A . 18 GLU CB 1 1 2 745 1 1 18 GLU CD C 2.477 0.741 -3.542 1.00 . A A . 18 GLU CD 1 1 2 746 1 1 18 GLU CG C 1.581 -0.188 -2.714 1.00 . A A . 18 GLU CG 1 1 2 747 1 1 18 GLU H H 0.299 0.628 0.032 1.00 . A A . 18 GLU H 1 1 2 748 1 1 18 GLU HA H 0.683 2.354 -2.336 1.00 . A A . 18 GLU HA 1 1 2 749 1 1 18 GLU HB2 H -0.430 -0.439 -2.020 1.00 . A A . 18 GLU HB2 1 1 2 750 1 1 18 GLU HB3 H -0.269 0.393 -3.559 1.00 . A A . 18 GLU HB3 1 1 2 751 1 1 18 GLU HG2 H 1.984 -0.307 -1.716 1.00 . A A . 18 GLU HG2 1 1 2 752 1 1 18 GLU HG3 H 1.557 -1.175 -3.182 1.00 . A A . 18 GLU HG3 1 1 2 753 1 1 18 GLU N N 0.431 1.533 -0.420 1.00 . A A . 18 GLU N 1 1 2 754 1 1 18 GLU O O -1.937 2.087 -3.195 1.00 . A A . 18 GLU O 1 1 2 755 1 1 18 GLU OE1 O 2.926 1.786 -3.019 1.00 . A A . 18 GLU OE1 1 1 2 756 1 1 18 GLU OE2 O 2.867 0.382 -4.679 1.00 . A A . 18 GLU OE2 1 1 2 757 1 1 19 ARG C C -4.386 2.500 -0.995 1.00 . A A . 19 ARG C 1 1 2 758 1 1 19 ARG CA C -3.304 3.578 -1.106 1.00 . A A . 19 ARG CA 1 1 2 759 1 1 19 ARG CB C -3.598 4.504 -2.301 1.00 . A A . 19 ARG CB 1 1 2 760 1 1 19 ARG CD C -2.880 6.085 -4.096 1.00 . A A . 19 ARG CD 1 1 2 761 1 1 19 ARG CG C -2.693 5.695 -2.618 1.00 . A A . 19 ARG CG 1 1 2 762 1 1 19 ARG CZ C -2.413 8.023 -5.578 1.00 . A A . 19 ARG CZ 1 1 2 763 1 1 19 ARG H H -1.427 3.201 -0.334 1.00 . A A . 19 ARG H 1 1 2 764 1 1 19 ARG HA H -3.327 4.108 -0.155 1.00 . A A . 19 ARG HA 1 1 2 765 1 1 19 ARG HB2 H -3.625 3.871 -3.186 1.00 . A A . 19 ARG HB2 1 1 2 766 1 1 19 ARG HB3 H -4.597 4.882 -2.147 1.00 . A A . 19 ARG HB3 1 1 2 767 1 1 19 ARG HD2 H -2.286 5.401 -4.704 1.00 . A A . 19 ARG HD2 1 1 2 768 1 1 19 ARG HD3 H -3.929 5.962 -4.370 1.00 . A A . 19 ARG HD3 1 1 2 769 1 1 19 ARG HE H -2.273 8.081 -3.601 1.00 . A A . 19 ARG HE 1 1 2 770 1 1 19 ARG HG2 H -2.977 6.527 -1.976 1.00 . A A . 19 ARG HG2 1 1 2 771 1 1 19 ARG HG3 H -1.651 5.427 -2.460 1.00 . A A . 19 ARG HG3 1 1 2 772 1 1 19 ARG HH11 H -2.653 6.339 -6.657 1.00 . A A . 19 ARG HH11 1 1 2 773 1 1 19 ARG HH12 H -2.446 7.843 -7.557 1.00 . A A . 19 ARG HH12 1 1 2 774 1 1 19 ARG HH21 H -2.121 9.902 -4.907 1.00 . A A . 19 ARG HH21 1 1 2 775 1 1 19 ARG HH22 H -2.228 9.674 -6.651 1.00 . A A . 19 ARG HH22 1 1 2 776 1 1 19 ARG N N -1.940 3.053 -1.168 1.00 . A A . 19 ARG N 1 1 2 777 1 1 19 ARG NE N -2.495 7.476 -4.383 1.00 . A A . 19 ARG NE 1 1 2 778 1 1 19 ARG NH1 N -2.531 7.344 -6.679 1.00 . A A . 19 ARG NH1 1 1 2 779 1 1 19 ARG NH2 N -2.208 9.298 -5.716 1.00 . A A . 19 ARG NH2 1 1 2 780 1 1 19 ARG O O -5.297 2.441 -1.852 1.00 . A A . 19 ARG O 1 1 2 781 1 1 19 ARG OXT O -4.312 1.702 -0.040 1.00 . A A . 19 ARG OXT 1 1 2 782 2 2 1 DT C1' C 9.795 5.005 4.334 1.00 . B B . 20 DT C1' 1 1 2 783 2 2 1 DT C2 C 10.044 4.033 6.665 1.00 . B B . 20 DT C2 1 1 2 784 2 2 1 DT C2' C 8.693 4.983 3.261 1.00 . B B . 20 DT C2' 1 1 2 785 2 2 1 DT C3' C 8.666 6.420 2.731 1.00 . B B . 20 DT C3' 1 1 2 786 2 2 1 DT C4 C 9.858 1.628 7.074 1.00 . B B . 20 DT C4 1 1 2 787 2 2 1 DT C4' C 9.256 7.209 3.903 1.00 . B B . 20 DT C4' 1 1 2 788 2 2 1 DT C5 C 9.596 1.470 5.647 1.00 . B B . 20 DT C5 1 1 2 789 2 2 1 DT C5' C 8.319 8.306 4.434 1.00 . B B . 20 DT C5' 1 1 2 790 2 2 1 DT C6 C 9.545 2.553 4.820 1.00 . B B . 20 DT C6 1 1 2 791 2 2 1 DT C7 C 9.374 0.079 5.078 1.00 . B B . 20 DT C7 1 1 2 792 2 2 1 DT H1' H 10.775 5.012 3.843 1.00 . B B . 20 DT H1' 1 1 2 793 2 2 1 DT H2' H 7.734 4.759 3.731 1.00 . B B . 20 DT H2' 1 1 2 794 2 2 1 DT H2'' H 8.882 4.275 2.460 1.00 . B B . 20 DT H2'' 1 1 2 795 2 2 1 DT H3 H 10.280 3.069 8.446 1.00 . B B . 20 DT H3 1 1 2 796 2 2 1 DT H3' H 7.631 6.729 2.557 1.00 . B B . 20 DT H3' 1 1 2 797 2 2 1 DT H4' H 10.178 7.685 3.560 1.00 . B B . 20 DT H4' 1 1 2 798 2 2 1 DT H5' H 8.833 8.848 5.230 1.00 . B B . 20 DT H5' 1 1 2 799 2 2 1 DT H5'' H 8.115 9.009 3.622 1.00 . B B . 20 DT H5'' 1 1 2 800 2 2 1 DT H6 H 9.346 2.393 3.767 1.00 . B B . 20 DT H6 1 1 2 801 2 2 1 DT H71 H 8.634 -0.445 5.684 1.00 . B B . 20 DT H71 1 1 2 802 2 2 1 DT H72 H 10.307 -0.482 5.124 1.00 . B B . 20 DT H72 1 1 2 803 2 2 1 DT H73 H 9.020 0.126 4.050 1.00 . B B . 20 DT H73 1 1 2 804 2 2 1 DT HO5' H 6.547 8.549 5.245 1.00 . B B . 20 DT HO5' 1 1 2 805 2 2 1 DT N1 N 9.745 3.843 5.295 1.00 . B B . 20 DT N1 1 1 2 806 2 2 1 DT N3 N 10.103 2.919 7.466 1.00 . B B . 20 DT N3 1 1 2 807 2 2 1 DT O2 O 10.248 5.117 7.216 1.00 . B B . 20 DT O2 1 1 2 808 2 2 1 DT O3' O 9.472 6.636 1.570 1.00 . B B . 20 DT O3' 1 1 2 809 2 2 1 DT O4 O 9.889 0.744 7.930 1.00 . B B . 20 DT O4 1 1 2 810 2 2 1 DT O4' O 9.579 6.278 4.925 1.00 . B B . 20 DT O4' 1 1 2 811 2 2 1 DT O5' O 7.088 7.785 4.926 1.00 . B B . 20 DT O5' 1 1 2 812 2 2 2 DA C1' C 4.632 7.151 -1.724 1.00 . B B . 21 DA C1' 1 1 2 813 2 2 2 DA C2 C 7.817 5.470 -4.272 1.00 . B B . 21 DA C2 1 1 2 814 2 2 2 DA C2' C 3.712 7.352 -0.511 1.00 . B B . 21 DA C2' 1 1 2 815 2 2 2 DA C3' C 4.642 7.919 0.557 1.00 . B B . 21 DA C3' 1 1 2 816 2 2 2 DA C4 C 6.312 5.424 -2.618 1.00 . B B . 21 DA C4 1 1 2 817 2 2 2 DA C4' C 5.721 8.623 -0.277 1.00 . B B . 21 DA C4' 1 1 2 818 2 2 2 DA C5 C 6.655 4.150 -2.235 1.00 . B B . 21 DA C5 1 1 2 819 2 2 2 DA C5' C 7.143 8.302 0.197 1.00 . B B . 21 DA C5' 1 1 2 820 2 2 2 DA C6 C 7.720 3.590 -2.993 1.00 . B B . 21 DA C6 1 1 2 821 2 2 2 DA C8 C 5.129 4.770 -0.902 1.00 . B B . 21 DA C8 1 1 2 822 2 2 2 DA H1' H 4.054 7.234 -2.649 1.00 . B B . 21 DA H1' 1 1 2 823 2 2 2 DA H2 H 8.291 5.985 -5.093 1.00 . B B . 21 DA H2 1 1 2 824 2 2 2 DA H2' H 3.215 6.452 -0.165 1.00 . B B . 21 DA H2' 1 1 2 825 2 2 2 DA H2'' H 2.949 8.055 -0.785 1.00 . B B . 21 DA H2'' 1 1 2 826 2 2 2 DA H3' H 5.117 7.072 1.055 1.00 . B B . 21 DA H3' 1 1 2 827 2 2 2 DA H4' H 5.578 9.700 -0.204 1.00 . B B . 21 DA H4' 1 1 2 828 2 2 2 DA H5' H 7.839 8.895 -0.396 1.00 . B B . 21 DA H5' 1 1 2 829 2 2 2 DA H5'' H 7.247 8.609 1.241 1.00 . B B . 21 DA H5'' 1 1 2 830 2 2 2 DA H61 H 8.970 2.053 -3.414 1.00 . B B . 21 DA H61 1 1 2 831 2 2 2 DA H62 H 7.892 1.812 -2.053 1.00 . B B . 21 DA H62 1 1 2 832 2 2 2 DA H8 H 4.414 4.836 -0.089 1.00 . B B . 21 DA H8 1 1 2 833 2 2 2 DA N1 N 8.284 4.256 -4.006 1.00 . B B . 21 DA N1 1 1 2 834 2 2 2 DA N3 N 6.849 6.140 -3.654 1.00 . B B . 21 DA N3 1 1 2 835 2 2 2 DA N6 N 8.253 2.396 -2.789 1.00 . B B . 21 DA N6 1 1 2 836 2 2 2 DA N7 N 5.865 3.712 -1.154 1.00 . B B . 21 DA N7 1 1 2 837 2 2 2 DA N9 N 5.336 5.839 -1.734 1.00 . B B . 21 DA N9 1 1 2 838 2 2 2 DA O3' O 4.025 8.713 1.574 1.00 . B B . 21 DA O3' 1 1 2 839 2 2 2 DA O4' O 5.555 8.226 -1.640 1.00 . B B . 21 DA O4' 1 1 2 840 2 2 2 DA O5' O 7.436 6.913 0.069 1.00 . B B . 21 DA O5' 1 1 2 841 2 2 2 DA OP1 O 8.920 4.896 -0.094 1.00 . B B . 21 DA OP1 1 1 2 842 2 2 2 DA OP2 O 9.732 7.175 -0.840 1.00 . B B . 21 DA OP2 1 1 2 843 2 2 2 DA P P 8.926 6.357 0.095 1.00 . B B . 21 DA P 1 1 2 844 2 2 3 DC C1' C -1.410 7.487 0.341 1.00 . B B . 22 DC C1' 1 1 2 845 2 2 3 DC C2 C -0.496 8.110 -1.941 1.00 . B B . 22 DC C2 1 1 2 846 2 2 3 DC C2' C -1.050 7.059 1.786 1.00 . B B . 22 DC C2' 1 1 2 847 2 2 3 DC C3' C -0.702 8.354 2.544 1.00 . B B . 22 DC C3' 1 1 2 848 2 2 3 DC C4 C 1.110 6.863 -2.995 1.00 . B B . 22 DC C4 1 1 2 849 2 2 3 DC C4' C -0.906 9.432 1.478 1.00 . B B . 22 DC C4' 1 1 2 850 2 2 3 DC C5 C 1.179 5.968 -1.912 1.00 . B B . 22 DC C5 1 1 2 851 2 2 3 DC C5' C 0.391 10.044 0.926 1.00 . B B . 22 DC C5' 1 1 2 852 2 2 3 DC C6 C 0.425 6.217 -0.811 1.00 . B B . 22 DC C6 1 1 2 853 2 2 3 DC H1' H -2.313 6.954 0.043 1.00 . B B . 22 DC H1' 1 1 2 854 2 2 3 DC H2' H -0.237 6.332 1.844 1.00 . B B . 22 DC H2' 1 1 2 855 2 2 3 DC H2'' H -1.925 6.598 2.235 1.00 . B B . 22 DC H2'' 1 1 2 856 2 2 3 DC H3' H 0.331 8.334 2.878 1.00 . B B . 22 DC H3' 1 1 2 857 2 2 3 DC H4' H -1.479 10.251 1.907 1.00 . B B . 22 DC H4' 1 1 2 858 2 2 3 DC H41 H 1.852 7.365 -4.766 1.00 . B B . 22 DC H41 1 1 2 859 2 2 3 DC H42 H 2.495 5.874 -4.027 1.00 . B B . 22 DC H42 1 1 2 860 2 2 3 DC H5 H 1.831 5.114 -1.952 1.00 . B B . 22 DC H5 1 1 2 861 2 2 3 DC H5' H 0.247 10.285 -0.128 1.00 . B B . 22 DC H5' 1 1 2 862 2 2 3 DC H5'' H 0.543 10.975 1.470 1.00 . B B . 22 DC H5'' 1 1 2 863 2 2 3 DC H6 H 0.468 5.531 0.025 1.00 . B B . 22 DC H6 1 1 2 864 2 2 3 DC N1 N -0.402 7.316 -0.771 1.00 . B B . 22 DC N1 1 1 2 865 2 2 3 DC N3 N 0.308 7.899 -3.012 1.00 . B B . 22 DC N3 1 1 2 866 2 2 3 DC N4 N 1.845 6.662 -4.048 1.00 . B B . 22 DC N4 1 1 2 867 2 2 3 DC O2 O -1.372 8.954 -2.138 1.00 . B B . 22 DC O2 1 1 2 868 2 2 3 DC O3' O -1.584 8.686 3.609 1.00 . B B . 22 DC O3' 1 1 2 869 2 2 3 DC O4' O -1.741 8.844 0.503 1.00 . B B . 22 DC O4' 1 1 2 870 2 2 3 DC O5' O 1.557 9.245 1.079 1.00 . B B . 22 DC O5' 1 1 2 871 2 2 3 DC OP1 O 3.345 10.768 0.219 1.00 . B B . 22 DC OP1 1 1 2 872 2 2 3 DC OP2 O 2.896 10.580 2.697 1.00 . B B . 22 DC OP2 1 1 2 873 2 2 3 DC P P 2.979 9.921 1.373 1.00 . B B . 22 DC P 1 1 2 874 2 2 4 DG C1' C -0.599 3.517 4.782 1.00 . B B . 23 DG C1' 1 1 2 875 2 2 4 DG C2 C 2.683 6.616 4.531 1.00 . B B . 23 DG C2 1 1 2 876 2 2 4 DG C2' C -1.568 2.956 5.843 1.00 . B B . 23 DG C2' 1 1 2 877 2 2 4 DG C3' C -2.626 4.034 6.043 1.00 . B B . 23 DG C3' 1 1 2 878 2 2 4 DG C4 C 1.713 4.698 5.211 1.00 . B B . 23 DG C4 1 1 2 879 2 2 4 DG C4' C -2.443 4.929 4.820 1.00 . B B . 23 DG C4' 1 1 2 880 2 2 4 DG C5 C 2.863 4.276 5.849 1.00 . B B . 23 DG C5 1 1 2 881 2 2 4 DG C5' C -2.648 6.409 5.129 1.00 . B B . 23 DG C5' 1 1 2 882 2 2 4 DG C6 C 4.059 5.072 5.738 1.00 . B B . 23 DG C6 1 1 2 883 2 2 4 DG C8 C 1.426 2.752 6.140 1.00 . B B . 23 DG C8 1 1 2 884 2 2 4 DG H1 H 4.664 6.856 4.976 1.00 . B B . 23 DG H1 1 1 2 885 2 2 4 DG H1' H -0.589 2.843 3.924 1.00 . B B . 23 DG H1' 1 1 2 886 2 2 4 DG H2' H -1.081 2.779 6.800 1.00 . B B . 23 DG H2' 1 1 2 887 2 2 4 DG H2'' H -1.987 1.999 5.516 1.00 . B B . 23 DG H2'' 1 1 2 888 2 2 4 DG H21 H 3.386 8.404 3.877 1.00 . B B . 23 DG H21 1 1 2 889 2 2 4 DG H22 H 1.652 8.168 3.948 1.00 . B B . 23 DG H22 1 1 2 890 2 2 4 DG H3' H -2.407 4.589 6.951 1.00 . B B . 23 DG H3' 1 1 2 891 2 2 4 DG H4' H -3.180 4.628 4.080 1.00 . B B . 23 DG H4' 1 1 2 892 2 2 4 DG H5' H -3.064 6.878 4.240 1.00 . B B . 23 DG H5' 1 1 2 893 2 2 4 DG H5'' H -3.369 6.537 5.932 1.00 . B B . 23 DG H5'' 1 1 2 894 2 2 4 DG H8 H 0.964 1.825 6.428 1.00 . B B . 23 DG H8 1 1 2 895 2 2 4 DG N1 N 3.878 6.239 5.035 1.00 . B B . 23 DG N1 1 1 2 896 2 2 4 DG N2 N 2.592 7.816 4.054 1.00 . B B . 23 DG N2 1 1 2 897 2 2 4 DG N3 N 1.580 5.869 4.523 1.00 . B B . 23 DG N3 1 1 2 898 2 2 4 DG N7 N 2.646 3.050 6.469 1.00 . B B . 23 DG N7 1 1 2 899 2 2 4 DG N9 N 0.778 3.678 5.364 1.00 . B B . 23 DG N9 1 1 2 900 2 2 4 DG O3' O -3.921 3.457 6.097 1.00 . B B . 23 DG O3' 1 1 2 901 2 2 4 DG O4' O -1.151 4.714 4.282 1.00 . B B . 23 DG O4' 1 1 2 902 2 2 4 DG O5' O -1.423 7.022 5.477 1.00 . B B . 23 DG O5' 1 1 2 903 2 2 4 DG O6 O 5.196 4.843 6.151 1.00 . B B . 23 DG O6 1 1 2 904 2 2 4 DG OP1 O -2.196 9.315 5.899 1.00 . B B . 23 DG OP1 1 1 2 905 2 2 4 DG OP2 O 0.241 8.862 5.336 1.00 . B B . 23 DG OP2 1 1 2 906 2 2 4 DG P P -1.189 8.544 5.154 1.00 . B B . 23 DG P 1 1 2 907 2 2 5 DC C1' C -5.836 6.914 1.274 1.00 . B B . 24 DC C1' 1 1 2 908 2 2 5 DC C2 C -4.776 9.196 1.414 1.00 . B B . 24 DC C2 1 1 2 909 2 2 5 DC C2' C -4.817 5.910 1.727 1.00 . B B . 24 DC C2' 1 1 2 910 2 2 5 DC C3' C -5.813 4.910 2.305 1.00 . B B . 24 DC C3' 1 1 2 911 2 2 5 DC C4 C -4.691 10.546 -0.439 1.00 . B B . 24 DC C4 1 1 2 912 2 2 5 DC C4' C -6.820 5.828 3.029 1.00 . B B . 24 DC C4' 1 1 2 913 2 2 5 DC C5 C -5.168 9.510 -1.286 1.00 . B B . 24 DC C5 1 1 2 914 2 2 5 DC C5' C -6.729 5.697 4.571 1.00 . B B . 24 DC C5' 1 1 2 915 2 2 5 DC C6 C -5.456 8.316 -0.715 1.00 . B B . 24 DC C6 1 1 2 916 2 2 5 DC H1' H -6.372 6.341 0.508 1.00 . B B . 24 DC H1' 1 1 2 917 2 2 5 DC H2' H -4.178 6.330 2.498 1.00 . B B . 24 DC H2' 1 1 2 918 2 2 5 DC H2'' H -4.257 5.517 0.892 1.00 . B B . 24 DC H2'' 1 1 2 919 2 2 5 DC H3' H -5.281 4.291 3.002 1.00 . B B . 24 DC H3' 1 1 2 920 2 2 5 DC H4' H -7.839 5.557 2.762 1.00 . B B . 24 DC H4' 1 1 2 921 2 2 5 DC H41 H -4.132 12.433 -0.296 1.00 . B B . 24 DC H41 1 1 2 922 2 2 5 DC H42 H -4.701 11.913 -1.888 1.00 . B B . 24 DC H42 1 1 2 923 2 2 5 DC H5 H -5.324 9.648 -2.344 1.00 . B B . 24 DC H5 1 1 2 924 2 2 5 DC H5' H -7.016 6.638 5.044 1.00 . B B . 24 DC H5' 1 1 2 925 2 2 5 DC H5'' H -7.472 4.951 4.864 1.00 . B B . 24 DC H5'' 1 1 2 926 2 2 5 DC H6 H -5.841 7.506 -1.328 1.00 . B B . 24 DC H6 1 1 2 927 2 2 5 DC N1 N -5.304 8.149 0.639 1.00 . B B . 24 DC N1 1 1 2 928 2 2 5 DC N3 N -4.522 10.409 0.862 1.00 . B B . 24 DC N3 1 1 2 929 2 2 5 DC N4 N -4.473 11.730 -0.923 1.00 . B B . 24 DC N4 1 1 2 930 2 2 5 DC O2 O -4.548 9.075 2.616 1.00 . B B . 24 DC O2 1 1 2 931 2 2 5 DC O3' O -6.386 4.100 1.276 1.00 . B B . 24 DC O3' 1 1 2 932 2 2 5 DC O4' O -6.602 7.118 2.465 1.00 . B B . 24 DC O4' 1 1 2 933 2 2 5 DC O5' O -5.446 5.273 5.051 1.00 . B B . 24 DC O5' 1 1 2 934 2 2 5 DC OP1 O -5.007 5.193 7.515 1.00 . B B . 24 DC OP1 1 1 2 935 2 2 5 DC OP2 O -6.345 3.332 6.408 1.00 . B B . 24 DC OP2 1 1 2 936 2 2 5 DC P P -5.253 4.324 6.350 1.00 . B B . 24 DC P 1 1 2 937 2 2 6 DC C1' C -10.462 7.250 -0.728 1.00 . B B . 25 DC C1' 1 1 2 938 2 2 6 DC C2 C -10.916 9.651 -0.328 1.00 . B B . 25 DC C2 1 1 2 939 2 2 6 DC C2' C -8.967 7.141 -1.008 1.00 . B B . 25 DC C2' 1 1 2 940 2 2 6 DC C3' C -8.866 5.725 -1.570 1.00 . B B . 25 DC C3' 1 1 2 941 2 2 6 DC C4 C -11.310 10.501 1.761 1.00 . B B . 25 DC C4 1 1 2 942 2 2 6 DC C4' C -10.098 5.017 -0.974 1.00 . B B . 25 DC C4' 1 1 2 943 2 2 6 DC C5 C -11.155 9.228 2.370 1.00 . B B . 25 DC C5 1 1 2 944 2 2 6 DC C5' C -9.713 3.801 -0.129 1.00 . B B . 25 DC C5' 1 1 2 945 2 2 6 DC C6 C -10.890 8.173 1.559 1.00 . B B . 25 DC C6 1 1 2 946 2 2 6 DC H1' H -10.989 7.404 -1.677 1.00 . B B . 25 DC H1' 1 1 2 947 2 2 6 DC H2' H -8.398 7.225 -0.083 1.00 . B B . 25 DC H2' 1 1 2 948 2 2 6 DC H2'' H -8.639 7.895 -1.725 1.00 . B B . 25 DC H2'' 1 1 2 949 2 2 6 DC H3' H -7.940 5.241 -1.252 1.00 . B B . 25 DC H3' 1 1 2 950 2 2 6 DC H4' H -10.737 4.679 -1.792 1.00 . B B . 25 DC H4' 1 1 2 951 2 2 6 DC H41 H -11.648 12.436 2.012 1.00 . B B . 25 DC H41 1 1 2 952 2 2 6 DC H42 H -11.615 11.468 3.490 1.00 . B B . 25 DC H42 1 1 2 953 2 2 6 DC H5 H -11.257 9.082 3.434 1.00 . B B . 25 DC H5 1 1 2 954 2 2 6 DC H5' H -10.611 3.322 0.258 1.00 . B B . 25 DC H5' 1 1 2 955 2 2 6 DC H5'' H -9.209 3.100 -0.793 1.00 . B B . 25 DC H5'' 1 1 2 956 2 2 6 DC H6 H -10.779 7.171 1.961 1.00 . B B . 25 DC H6 1 1 2 957 2 2 6 DC HO3' H -8.053 6.041 -3.322 1.00 . B B . 25 DC HO3' 1 1 2 958 2 2 6 DC N1 N -10.773 8.367 0.204 1.00 . B B . 25 DC N1 1 1 2 959 2 2 6 DC N3 N -11.181 10.718 0.463 1.00 . B B . 25 DC N3 1 1 2 960 2 2 6 DC N4 N -11.558 11.552 2.485 1.00 . B B . 25 DC N4 1 1 2 961 2 2 6 DC O2 O -10.798 9.864 -1.538 1.00 . B B . 25 DC O2 1 1 2 962 2 2 6 DC O3' O -8.941 5.792 -2.986 1.00 . B B . 25 DC O3' 1 1 2 963 2 2 6 DC O4' O -10.808 5.982 -0.210 1.00 . B B . 25 DC O4' 1 1 2 964 2 2 6 DC O5' O -8.859 4.175 0.949 1.00 . B B . 25 DC O5' 1 1 2 965 2 2 6 DC OP1 O -7.921 3.034 2.952 1.00 . B B . 25 DC OP1 1 1 2 966 2 2 6 DC OP2 O -7.589 2.018 0.656 1.00 . B B . 25 DC OP2 1 1 2 967 2 2 6 DC P P -7.710 3.215 1.502 1.00 . B B . 25 DC P 1 1 2 968 3 3 1 ZN ZN ZN 0.320 -3.696 -0.372 1.00 . C A . 26 ZN ZN 1 1 3 969 1 1 1 LYS C C -4.595 -11.448 4.466 1.00 . A A . 1 LYS C 1 1 3 970 1 1 1 LYS CA C -5.829 -11.640 5.346 1.00 . A A . 1 LYS CA 1 1 3 971 1 1 1 LYS CB C -5.501 -12.459 6.614 1.00 . A A . 1 LYS CB 1 1 3 972 1 1 1 LYS CD C -6.464 -13.055 8.959 1.00 . A A . 1 LYS CD 1 1 3 973 1 1 1 LYS CE C -5.871 -14.451 9.203 1.00 . A A . 1 LYS CE 1 1 3 974 1 1 1 LYS CG C -6.741 -12.655 7.501 1.00 . A A . 1 LYS CG 1 1 3 975 1 1 1 LYS H1 H -7.065 -11.747 3.683 1.00 . A A . 1 LYS H1 1 1 3 976 1 1 1 LYS H2 H -7.829 -12.061 5.070 1.00 . A A . 1 LYS H2 1 1 3 977 1 1 1 LYS H3 H -6.839 -13.203 4.420 1.00 . A A . 1 LYS H3 1 1 3 978 1 1 1 LYS HA H -6.130 -10.639 5.660 1.00 . A A . 1 LYS HA 1 1 3 979 1 1 1 LYS HB2 H -5.100 -13.432 6.334 1.00 . A A . 1 LYS HB2 1 1 3 980 1 1 1 LYS HB3 H -4.740 -11.928 7.187 1.00 . A A . 1 LYS HB3 1 1 3 981 1 1 1 LYS HD2 H -5.831 -12.299 9.428 1.00 . A A . 1 LYS HD2 1 1 3 982 1 1 1 LYS HD3 H -7.423 -13.028 9.477 1.00 . A A . 1 LYS HD3 1 1 3 983 1 1 1 LYS HE2 H -6.087 -14.705 10.247 1.00 . A A . 1 LYS HE2 1 1 3 984 1 1 1 LYS HE3 H -6.378 -15.193 8.579 1.00 . A A . 1 LYS HE3 1 1 3 985 1 1 1 LYS HG2 H -7.285 -11.712 7.539 1.00 . A A . 1 LYS HG2 1 1 3 986 1 1 1 LYS HG3 H -7.393 -13.402 7.047 1.00 . A A . 1 LYS HG3 1 1 3 987 1 1 1 LYS HZ1 H -3.968 -15.177 9.626 1.00 . A A . 1 LYS HZ1 1 1 3 988 1 1 1 LYS HZ2 H -3.972 -13.603 9.252 1.00 . A A . 1 LYS HZ2 1 1 3 989 1 1 1 LYS HZ3 H -4.124 -14.716 8.057 1.00 . A A . 1 LYS HZ3 1 1 3 990 1 1 1 LYS N N -6.960 -12.212 4.576 1.00 . A A . 1 LYS N 1 1 3 991 1 1 1 LYS NZ N -4.402 -14.493 9.009 1.00 . A A . 1 LYS NZ 1 1 3 992 1 1 1 LYS O O -4.549 -11.958 3.342 1.00 . A A . 1 LYS O 1 1 3 993 1 1 2 GLY C C -1.945 -8.925 4.277 1.00 . A A . 2 GLY C 1 1 3 994 1 1 2 GLY CA C -2.335 -10.406 4.251 1.00 . A A . 2 GLY CA 1 1 3 995 1 1 2 GLY H H -3.750 -10.230 5.839 1.00 . A A . 2 GLY H 1 1 3 996 1 1 2 GLY HA2 H -1.540 -10.958 4.746 1.00 . A A . 2 GLY HA2 1 1 3 997 1 1 2 GLY HA3 H -2.378 -10.744 3.215 1.00 . A A . 2 GLY HA3 1 1 3 998 1 1 2 GLY N N -3.605 -10.684 4.940 1.00 . A A . 2 GLY N 1 1 3 999 1 1 2 GLY O O -1.554 -8.406 5.328 1.00 . A A . 2 GLY O 1 1 3 1000 1 1 3 CYS C C -3.160 -6.100 3.530 1.00 . A A . 3 CYS C 1 1 3 1001 1 1 3 CYS CA C -1.935 -6.823 2.931 1.00 . A A . 3 CYS CA 1 1 3 1002 1 1 3 CYS CB C -1.761 -6.539 1.416 1.00 . A A . 3 CYS CB 1 1 3 1003 1 1 3 CYS H H -2.419 -8.796 2.336 1.00 . A A . 3 CYS H 1 1 3 1004 1 1 3 CYS HA H -1.039 -6.481 3.450 1.00 . A A . 3 CYS HA 1 1 3 1005 1 1 3 CYS HB2 H -1.011 -7.210 1.002 1.00 . A A . 3 CYS HB2 1 1 3 1006 1 1 3 CYS HB3 H -2.697 -6.812 0.952 1.00 . A A . 3 CYS HB3 1 1 3 1007 1 1 3 CYS N N -2.065 -8.266 3.120 1.00 . A A . 3 CYS N 1 1 3 1008 1 1 3 CYS O O -4.112 -6.683 4.062 1.00 . A A . 3 CYS O 1 1 3 1009 1 1 3 CYS SG S -1.331 -4.805 0.995 1.00 . A A . 3 CYS SG 1 1 3 1010 1 1 4 TRP C C -4.945 -3.435 2.400 1.00 . A A . 4 TRP C 1 1 3 1011 1 1 4 TRP CA C -4.197 -3.842 3.671 1.00 . A A . 4 TRP CA 1 1 3 1012 1 1 4 TRP CB C -3.521 -2.652 4.335 1.00 . A A . 4 TRP CB 1 1 3 1013 1 1 4 TRP CD1 C -5.329 -0.846 4.312 1.00 . A A . 4 TRP CD1 1 1 3 1014 1 1 4 TRP CD2 C -3.319 -0.186 3.589 1.00 . A A . 4 TRP CD2 1 1 3 1015 1 1 4 TRP CE2 C -4.176 0.935 3.458 1.00 . A A . 4 TRP CE2 1 1 3 1016 1 1 4 TRP CE3 C -1.985 -0.054 3.182 1.00 . A A . 4 TRP CE3 1 1 3 1017 1 1 4 TRP CG C -4.070 -1.297 4.114 1.00 . A A . 4 TRP CG 1 1 3 1018 1 1 4 TRP CH2 C -2.389 2.240 2.478 1.00 . A A . 4 TRP CH2 1 1 3 1019 1 1 4 TRP CZ2 C -3.714 2.145 2.930 1.00 . A A . 4 TRP CZ2 1 1 3 1020 1 1 4 TRP CZ3 C -1.535 1.134 2.616 1.00 . A A . 4 TRP CZ3 1 1 3 1021 1 1 4 TRP H H -2.320 -4.458 2.871 1.00 . A A . 4 TRP H 1 1 3 1022 1 1 4 TRP HA H -4.926 -4.268 4.364 1.00 . A A . 4 TRP HA 1 1 3 1023 1 1 4 TRP HB2 H -3.432 -2.793 5.397 1.00 . A A . 4 TRP HB2 1 1 3 1024 1 1 4 TRP HB3 H -2.500 -2.614 3.951 1.00 . A A . 4 TRP HB3 1 1 3 1025 1 1 4 TRP HD1 H -6.163 -1.440 4.673 1.00 . A A . 4 TRP HD1 1 1 3 1026 1 1 4 TRP HE1 H -6.256 0.998 3.861 1.00 . A A . 4 TRP HE1 1 1 3 1027 1 1 4 TRP HE3 H -1.307 -0.884 3.271 1.00 . A A . 4 TRP HE3 1 1 3 1028 1 1 4 TRP HH2 H -2.033 3.161 2.031 1.00 . A A . 4 TRP HH2 1 1 3 1029 1 1 4 TRP HZ2 H -4.394 2.967 2.808 1.00 . A A . 4 TRP HZ2 1 1 3 1030 1 1 4 TRP HZ3 H -0.527 1.153 2.289 1.00 . A A . 4 TRP HZ3 1 1 3 1031 1 1 4 TRP N N -3.128 -4.789 3.386 1.00 . A A . 4 TRP N 1 1 3 1032 1 1 4 TRP NE1 N -5.392 0.478 3.916 1.00 . A A . 4 TRP NE1 1 1 3 1033 1 1 4 TRP O O -6.174 -3.359 2.433 1.00 . A A . 4 TRP O 1 1 3 1034 1 1 5 LYS C C -4.672 -3.631 -1.173 1.00 . A A . 5 LYS C 1 1 3 1035 1 1 5 LYS CA C -4.820 -2.695 0.025 1.00 . A A . 5 LYS CA 1 1 3 1036 1 1 5 LYS CB C -4.324 -1.256 -0.237 1.00 . A A . 5 LYS CB 1 1 3 1037 1 1 5 LYS CD C -3.078 -1.195 -2.568 1.00 . A A . 5 LYS CD 1 1 3 1038 1 1 5 LYS CE C -3.959 -0.190 -3.330 1.00 . A A . 5 LYS CE 1 1 3 1039 1 1 5 LYS CG C -3.015 -1.065 -1.027 1.00 . A A . 5 LYS CG 1 1 3 1040 1 1 5 LYS H H -3.233 -3.321 1.340 1.00 . A A . 5 LYS H 1 1 3 1041 1 1 5 LYS HA H -5.894 -2.603 0.167 1.00 . A A . 5 LYS HA 1 1 3 1042 1 1 5 LYS HB2 H -5.111 -0.714 -0.747 1.00 . A A . 5 LYS HB2 1 1 3 1043 1 1 5 LYS HB3 H -4.207 -0.756 0.729 1.00 . A A . 5 LYS HB3 1 1 3 1044 1 1 5 LYS HD2 H -2.067 -1.060 -2.939 1.00 . A A . 5 LYS HD2 1 1 3 1045 1 1 5 LYS HD3 H -3.352 -2.205 -2.856 1.00 . A A . 5 LYS HD3 1 1 3 1046 1 1 5 LYS HE2 H -3.820 0.825 -2.915 1.00 . A A . 5 LYS HE2 1 1 3 1047 1 1 5 LYS HE3 H -3.587 -0.149 -4.354 1.00 . A A . 5 LYS HE3 1 1 3 1048 1 1 5 LYS HG2 H -2.644 -0.069 -0.797 1.00 . A A . 5 LYS HG2 1 1 3 1049 1 1 5 LYS HG3 H -2.278 -1.769 -0.642 1.00 . A A . 5 LYS HG3 1 1 3 1050 1 1 5 LYS HZ1 H -5.484 -1.602 -3.338 1.00 . A A . 5 LYS HZ1 1 1 3 1051 1 1 5 LYS HZ2 H -5.858 -0.252 -4.187 1.00 . A A . 5 LYS HZ2 1 1 3 1052 1 1 5 LYS HZ3 H -5.878 -0.200 -2.554 1.00 . A A . 5 LYS HZ3 1 1 3 1053 1 1 5 LYS N N -4.237 -3.210 1.282 1.00 . A A . 5 LYS N 1 1 3 1054 1 1 5 LYS NZ N -5.388 -0.595 -3.355 1.00 . A A . 5 LYS NZ 1 1 3 1055 1 1 5 LYS O O -5.511 -3.575 -2.073 1.00 . A A . 5 LYS O 1 1 3 1056 1 1 6 CYS C C -4.060 -6.571 -2.430 1.00 . A A . 6 CYS C 1 1 3 1057 1 1 6 CYS CA C -3.242 -5.281 -2.346 1.00 . A A . 6 CYS CA 1 1 3 1058 1 1 6 CYS CB C -1.737 -5.581 -2.287 1.00 . A A . 6 CYS CB 1 1 3 1059 1 1 6 CYS H H -2.987 -4.433 -0.415 1.00 . A A . 6 CYS H 1 1 3 1060 1 1 6 CYS HA H -3.414 -4.704 -3.249 1.00 . A A . 6 CYS HA 1 1 3 1061 1 1 6 CYS HB2 H -1.522 -6.248 -1.450 1.00 . A A . 6 CYS HB2 1 1 3 1062 1 1 6 CYS HB3 H -1.451 -6.081 -3.216 1.00 . A A . 6 CYS HB3 1 1 3 1063 1 1 6 CYS N N -3.629 -4.466 -1.193 1.00 . A A . 6 CYS N 1 1 3 1064 1 1 6 CYS O O -4.656 -6.871 -3.464 1.00 . A A . 6 CYS O 1 1 3 1065 1 1 6 CYS SG S -0.835 -4.027 -2.134 1.00 . A A . 6 CYS SG 1 1 3 1066 1 1 7 GLY C C -4.078 -9.801 -0.977 1.00 . A A . 7 GLY C 1 1 3 1067 1 1 7 GLY CA C -4.872 -8.499 -1.074 1.00 . A A . 7 GLY CA 1 1 3 1068 1 1 7 GLY H H -3.585 -6.900 -0.536 1.00 . A A . 7 GLY H 1 1 3 1069 1 1 7 GLY HA2 H -5.357 -8.357 -0.117 1.00 . A A . 7 GLY HA2 1 1 3 1070 1 1 7 GLY HA3 H -5.613 -8.615 -1.858 1.00 . A A . 7 GLY HA3 1 1 3 1071 1 1 7 GLY N N -4.088 -7.292 -1.310 1.00 . A A . 7 GLY N 1 1 3 1072 1 1 7 GLY O O -4.609 -10.858 -1.329 1.00 . A A . 7 GLY O 1 1 3 1073 1 1 8 LYS C C -0.901 -10.815 0.609 1.00 . A A . 8 LYS C 1 1 3 1074 1 1 8 LYS CA C -1.813 -10.811 -0.624 1.00 . A A . 8 LYS CA 1 1 3 1075 1 1 8 LYS CB C -0.939 -10.580 -1.866 1.00 . A A . 8 LYS CB 1 1 3 1076 1 1 8 LYS CD C -0.735 -9.894 -4.337 1.00 . A A . 8 LYS CD 1 1 3 1077 1 1 8 LYS CE C -0.055 -8.518 -4.430 1.00 . A A . 8 LYS CE 1 1 3 1078 1 1 8 LYS CG C -1.666 -10.093 -3.135 1.00 . A A . 8 LYS CG 1 1 3 1079 1 1 8 LYS H H -2.505 -8.850 -0.169 1.00 . A A . 8 LYS H 1 1 3 1080 1 1 8 LYS HA H -2.308 -11.783 -0.697 1.00 . A A . 8 LYS HA 1 1 3 1081 1 1 8 LYS HB2 H -0.194 -9.836 -1.593 1.00 . A A . 8 LYS HB2 1 1 3 1082 1 1 8 LYS HB3 H -0.425 -11.514 -2.090 1.00 . A A . 8 LYS HB3 1 1 3 1083 1 1 8 LYS HD2 H 0.017 -10.682 -4.357 1.00 . A A . 8 LYS HD2 1 1 3 1084 1 1 8 LYS HD3 H -1.348 -9.999 -5.231 1.00 . A A . 8 LYS HD3 1 1 3 1085 1 1 8 LYS HE2 H 0.576 -8.524 -5.319 1.00 . A A . 8 LYS HE2 1 1 3 1086 1 1 8 LYS HE3 H -0.815 -7.750 -4.577 1.00 . A A . 8 LYS HE3 1 1 3 1087 1 1 8 LYS HG2 H -2.411 -10.844 -3.392 1.00 . A A . 8 LYS HG2 1 1 3 1088 1 1 8 LYS HG3 H -2.180 -9.148 -2.953 1.00 . A A . 8 LYS HG3 1 1 3 1089 1 1 8 LYS HZ1 H 1.313 -7.330 -3.423 1.00 . A A . 8 LYS HZ1 1 1 3 1090 1 1 8 LYS HZ2 H 1.439 -8.933 -3.057 1.00 . A A . 8 LYS HZ2 1 1 3 1091 1 1 8 LYS HZ3 H 0.200 -8.048 -2.440 1.00 . A A . 8 LYS HZ3 1 1 3 1092 1 1 8 LYS N N -2.812 -9.734 -0.544 1.00 . A A . 8 LYS N 1 1 3 1093 1 1 8 LYS NZ N 0.777 -8.182 -3.256 1.00 . A A . 8 LYS NZ 1 1 3 1094 1 1 8 LYS O O -0.607 -9.738 1.121 1.00 . A A . 8 LYS O 1 1 3 1095 1 1 9 GLU C C 2.049 -11.586 1.766 1.00 . A A . 9 GLU C 1 1 3 1096 1 1 9 GLU CA C 0.621 -12.035 2.150 1.00 . A A . 9 GLU CA 1 1 3 1097 1 1 9 GLU CB C 0.633 -13.429 2.801 1.00 . A A . 9 GLU CB 1 1 3 1098 1 1 9 GLU CD C -0.407 -14.984 4.449 1.00 . A A . 9 GLU CD 1 1 3 1099 1 1 9 GLU CG C -0.673 -13.817 3.496 1.00 . A A . 9 GLU CG 1 1 3 1100 1 1 9 GLU H H -0.598 -12.816 0.555 1.00 . A A . 9 GLU H 1 1 3 1101 1 1 9 GLU HA H 0.304 -11.337 2.927 1.00 . A A . 9 GLU HA 1 1 3 1102 1 1 9 GLU HB2 H 0.879 -14.178 2.050 1.00 . A A . 9 GLU HB2 1 1 3 1103 1 1 9 GLU HB3 H 1.416 -13.435 3.560 1.00 . A A . 9 GLU HB3 1 1 3 1104 1 1 9 GLU HG2 H -1.046 -12.969 4.068 1.00 . A A . 9 GLU HG2 1 1 3 1105 1 1 9 GLU HG3 H -1.419 -14.094 2.751 1.00 . A A . 9 GLU HG3 1 1 3 1106 1 1 9 GLU N N -0.359 -11.956 1.038 1.00 . A A . 9 GLU N 1 1 3 1107 1 1 9 GLU O O 3.039 -12.269 2.033 1.00 . A A . 9 GLU O 1 1 3 1108 1 1 9 GLU OE1 O 0.044 -16.056 3.988 1.00 . A A . 9 GLU OE1 1 1 3 1109 1 1 9 GLU OE2 O -0.538 -14.819 5.689 1.00 . A A . 9 GLU OE2 1 1 3 1110 1 1 10 GLY C C 4.057 -9.089 2.067 1.00 . A A . 10 GLY C 1 1 3 1111 1 1 10 GLY CA C 3.471 -9.800 0.845 1.00 . A A . 10 GLY CA 1 1 3 1112 1 1 10 GLY H H 1.334 -9.880 0.966 1.00 . A A . 10 GLY H 1 1 3 1113 1 1 10 GLY HA2 H 4.170 -10.564 0.507 1.00 . A A . 10 GLY HA2 1 1 3 1114 1 1 10 GLY HA3 H 3.345 -9.073 0.050 1.00 . A A . 10 GLY HA3 1 1 3 1115 1 1 10 GLY N N 2.176 -10.415 1.142 1.00 . A A . 10 GLY N 1 1 3 1116 1 1 10 GLY O O 5.196 -9.360 2.460 1.00 . A A . 10 GLY O 1 1 3 1117 1 1 11 HIS C C 2.451 -6.655 4.431 1.00 . A A . 11 HIS C 1 1 3 1118 1 1 11 HIS CA C 3.667 -7.396 3.848 1.00 . A A . 11 HIS CA 1 1 3 1119 1 1 11 HIS CB C 4.757 -6.375 3.445 1.00 . A A . 11 HIS CB 1 1 3 1120 1 1 11 HIS CD2 C 3.332 -4.984 1.854 1.00 . A A . 11 HIS CD2 1 1 3 1121 1 1 11 HIS CE1 C 4.693 -4.754 0.160 1.00 . A A . 11 HIS CE1 1 1 3 1122 1 1 11 HIS CG C 4.474 -5.663 2.150 1.00 . A A . 11 HIS CG 1 1 3 1123 1 1 11 HIS H H 2.319 -8.066 2.356 1.00 . A A . 11 HIS H 1 1 3 1124 1 1 11 HIS HA H 4.056 -8.050 4.629 1.00 . A A . 11 HIS HA 1 1 3 1125 1 1 11 HIS HB2 H 4.851 -5.627 4.235 1.00 . A A . 11 HIS HB2 1 1 3 1126 1 1 11 HIS HB3 H 5.716 -6.884 3.367 1.00 . A A . 11 HIS HB3 1 1 3 1127 1 1 11 HIS HD1 H 6.322 -5.700 1.074 1.00 . A A . 11 HIS HD1 1 1 3 1128 1 1 11 HIS HD2 H 2.508 -4.794 2.529 1.00 . A A . 11 HIS HD2 1 1 3 1129 1 1 11 HIS HE1 H 5.117 -4.332 -0.734 1.00 . A A . 11 HIS HE1 1 1 3 1130 1 1 11 HIS N N 3.273 -8.199 2.684 1.00 . A A . 11 HIS N 1 1 3 1131 1 1 11 HIS ND1 N 5.321 -5.505 1.077 1.00 . A A . 11 HIS ND1 1 1 3 1132 1 1 11 HIS NE2 N 3.462 -4.462 0.573 1.00 . A A . 11 HIS NE2 1 1 3 1133 1 1 11 HIS O O 1.323 -6.814 3.968 1.00 . A A . 11 HIS O 1 1 3 1134 1 1 12 GLN C C 1.970 -3.431 5.530 1.00 . A A . 12 GLN C 1 1 3 1135 1 1 12 GLN CA C 1.792 -4.857 6.043 1.00 . A A . 12 GLN CA 1 1 3 1136 1 1 12 GLN CB C 2.065 -4.956 7.545 1.00 . A A . 12 GLN CB 1 1 3 1137 1 1 12 GLN CD C 1.531 -6.074 9.725 1.00 . A A . 12 GLN CD 1 1 3 1138 1 1 12 GLN CG C 0.993 -5.704 8.347 1.00 . A A . 12 GLN CG 1 1 3 1139 1 1 12 GLN H H 3.699 -5.663 5.639 1.00 . A A . 12 GLN H 1 1 3 1140 1 1 12 GLN HA H 0.752 -5.080 5.832 1.00 . A A . 12 GLN HA 1 1 3 1141 1 1 12 GLN HB2 H 3.009 -5.463 7.701 1.00 . A A . 12 GLN HB2 1 1 3 1142 1 1 12 GLN HB3 H 2.202 -3.957 7.930 1.00 . A A . 12 GLN HB3 1 1 3 1143 1 1 12 GLN HE21 H 0.897 -4.359 10.631 1.00 . A A . 12 GLN HE21 1 1 3 1144 1 1 12 GLN HE22 H 1.878 -5.446 11.597 1.00 . A A . 12 GLN HE22 1 1 3 1145 1 1 12 GLN HG2 H 0.104 -5.083 8.445 1.00 . A A . 12 GLN HG2 1 1 3 1146 1 1 12 GLN HG3 H 0.730 -6.621 7.822 1.00 . A A . 12 GLN HG3 1 1 3 1147 1 1 12 GLN N N 2.713 -5.778 5.393 1.00 . A A . 12 GLN N 1 1 3 1148 1 1 12 GLN NE2 N 1.409 -5.229 10.722 1.00 . A A . 12 GLN NE2 1 1 3 1149 1 1 12 GLN O O 2.857 -3.125 4.742 1.00 . A A . 12 GLN O 1 1 3 1150 1 1 12 GLN OE1 O 2.108 -7.138 9.927 1.00 . A A . 12 GLN OE1 1 1 3 1151 1 1 13 MET C C 2.241 -0.351 5.586 1.00 . A A . 13 MET C 1 1 3 1152 1 1 13 MET CA C 0.959 -1.168 5.521 1.00 . A A . 13 MET CA 1 1 3 1153 1 1 13 MET CB C -0.184 -0.466 6.262 1.00 . A A . 13 MET CB 1 1 3 1154 1 1 13 MET CE C -2.779 -3.251 8.062 1.00 . A A . 13 MET CE 1 1 3 1155 1 1 13 MET CG C -1.358 -1.391 6.567 1.00 . A A . 13 MET CG 1 1 3 1156 1 1 13 MET H H 0.437 -2.854 6.690 1.00 . A A . 13 MET H 1 1 3 1157 1 1 13 MET HA H 0.680 -1.189 4.475 1.00 . A A . 13 MET HA 1 1 3 1158 1 1 13 MET HB2 H 0.169 -0.046 7.197 1.00 . A A . 13 MET HB2 1 1 3 1159 1 1 13 MET HB3 H -0.528 0.337 5.614 1.00 . A A . 13 MET HB3 1 1 3 1160 1 1 13 MET HE1 H -2.801 -3.946 7.229 1.00 . A A . 13 MET HE1 1 1 3 1161 1 1 13 MET HE2 H -2.897 -3.811 8.984 1.00 . A A . 13 MET HE2 1 1 3 1162 1 1 13 MET HE3 H -3.600 -2.544 7.975 1.00 . A A . 13 MET HE3 1 1 3 1163 1 1 13 MET HG2 H -2.267 -0.814 6.635 1.00 . A A . 13 MET HG2 1 1 3 1164 1 1 13 MET HG3 H -1.461 -2.056 5.723 1.00 . A A . 13 MET HG3 1 1 3 1165 1 1 13 MET N N 1.116 -2.534 6.013 1.00 . A A . 13 MET N 1 1 3 1166 1 1 13 MET O O 2.469 0.432 4.673 1.00 . A A . 13 MET O 1 1 3 1167 1 1 13 MET SD S -1.202 -2.369 8.083 1.00 . A A . 13 MET SD 1 1 3 1168 1 1 14 LYS C C 5.364 -0.313 5.599 1.00 . A A . 14 LYS C 1 1 3 1169 1 1 14 LYS CA C 4.405 0.067 6.724 1.00 . A A . 14 LYS CA 1 1 3 1170 1 1 14 LYS CB C 5.015 -0.290 8.088 1.00 . A A . 14 LYS CB 1 1 3 1171 1 1 14 LYS CD C 4.382 -0.202 10.589 1.00 . A A . 14 LYS CD 1 1 3 1172 1 1 14 LYS CE C 2.962 -0.513 11.093 1.00 . A A . 14 LYS CE 1 1 3 1173 1 1 14 LYS CG C 4.470 0.559 9.251 1.00 . A A . 14 LYS CG 1 1 3 1174 1 1 14 LYS H H 2.838 -1.281 7.267 1.00 . A A . 14 LYS H 1 1 3 1175 1 1 14 LYS HA H 4.283 1.147 6.665 1.00 . A A . 14 LYS HA 1 1 3 1176 1 1 14 LYS HB2 H 4.827 -1.339 8.263 1.00 . A A . 14 LYS HB2 1 1 3 1177 1 1 14 LYS HB3 H 6.100 -0.169 8.040 1.00 . A A . 14 LYS HB3 1 1 3 1178 1 1 14 LYS HD2 H 4.941 -1.133 10.526 1.00 . A A . 14 LYS HD2 1 1 3 1179 1 1 14 LYS HD3 H 4.871 0.404 11.351 1.00 . A A . 14 LYS HD3 1 1 3 1180 1 1 14 LYS HE2 H 3.045 -1.089 12.018 1.00 . A A . 14 LYS HE2 1 1 3 1181 1 1 14 LYS HE3 H 2.449 0.425 11.326 1.00 . A A . 14 LYS HE3 1 1 3 1182 1 1 14 LYS HG2 H 5.134 1.417 9.376 1.00 . A A . 14 LYS HG2 1 1 3 1183 1 1 14 LYS HG3 H 3.496 0.959 8.989 1.00 . A A . 14 LYS HG3 1 1 3 1184 1 1 14 LYS HZ1 H 1.351 -1.693 10.555 1.00 . A A . 14 LYS HZ1 1 1 3 1185 1 1 14 LYS HZ2 H 2.730 -2.024 9.713 1.00 . A A . 14 LYS HZ2 1 1 3 1186 1 1 14 LYS HZ3 H 1.813 -0.625 9.407 1.00 . A A . 14 LYS HZ3 1 1 3 1187 1 1 14 LYS N N 3.087 -0.576 6.598 1.00 . A A . 14 LYS N 1 1 3 1188 1 1 14 LYS NZ N 2.166 -1.276 10.108 1.00 . A A . 14 LYS NZ 1 1 3 1189 1 1 14 LYS O O 6.278 0.463 5.322 1.00 . A A . 14 LYS O 1 1 3 1190 1 1 15 ASP C C 5.204 -1.732 2.462 1.00 . A A . 15 ASP C 1 1 3 1191 1 1 15 ASP CA C 5.953 -1.923 3.798 1.00 . A A . 15 ASP CA 1 1 3 1192 1 1 15 ASP CB C 6.425 -3.361 4.044 1.00 . A A . 15 ASP CB 1 1 3 1193 1 1 15 ASP CG C 7.894 -3.454 4.483 1.00 . A A . 15 ASP CG 1 1 3 1194 1 1 15 ASP H H 4.369 -2.043 5.226 1.00 . A A . 15 ASP H 1 1 3 1195 1 1 15 ASP HA H 6.849 -1.331 3.722 1.00 . A A . 15 ASP HA 1 1 3 1196 1 1 15 ASP HB2 H 5.797 -3.806 4.813 1.00 . A A . 15 ASP HB2 1 1 3 1197 1 1 15 ASP HB3 H 6.307 -3.925 3.123 1.00 . A A . 15 ASP HB3 1 1 3 1198 1 1 15 ASP N N 5.166 -1.466 4.955 1.00 . A A . 15 ASP N 1 1 3 1199 1 1 15 ASP O O 5.832 -1.515 1.419 1.00 . A A . 15 ASP O 1 1 3 1200 1 1 15 ASP OD1 O 8.279 -2.713 5.422 1.00 . A A . 15 ASP OD1 1 1 3 1201 1 1 15 ASP OD2 O 8.673 -4.257 3.909 1.00 . A A . 15 ASP OD2 1 1 3 1202 1 1 16 CYS C C 2.926 0.027 1.063 1.00 . A A . 16 CYS C 1 1 3 1203 1 1 16 CYS CA C 3.005 -1.476 1.361 1.00 . A A . 16 CYS CA 1 1 3 1204 1 1 16 CYS CB C 1.648 -2.146 1.635 1.00 . A A . 16 CYS CB 1 1 3 1205 1 1 16 CYS H H 3.433 -1.995 3.371 1.00 . A A . 16 CYS H 1 1 3 1206 1 1 16 CYS HA H 3.435 -1.968 0.493 1.00 . A A . 16 CYS HA 1 1 3 1207 1 1 16 CYS HB2 H 1.792 -3.116 2.065 1.00 . A A . 16 CYS HB2 1 1 3 1208 1 1 16 CYS HB3 H 1.149 -1.644 2.433 1.00 . A A . 16 CYS HB3 1 1 3 1209 1 1 16 CYS N N 3.872 -1.733 2.499 1.00 . A A . 16 CYS N 1 1 3 1210 1 1 16 CYS O O 3.544 0.509 0.121 1.00 . A A . 16 CYS O 1 1 3 1211 1 1 16 CYS SG S 0.639 -2.310 0.151 1.00 . A A . 16 CYS SG 1 1 3 1212 1 1 17 THR C C 0.915 2.463 0.503 1.00 . A A . 17 THR C 1 1 3 1213 1 1 17 THR CA C 1.820 2.195 1.711 1.00 . A A . 17 THR CA 1 1 3 1214 1 1 17 THR CB C 2.981 3.213 1.785 1.00 . A A . 17 THR CB 1 1 3 1215 1 1 17 THR CG2 C 3.991 2.870 2.864 1.00 . A A . 17 THR CG2 1 1 3 1216 1 1 17 THR H H 1.960 0.348 2.772 1.00 . A A . 17 THR H 1 1 3 1217 1 1 17 THR HA H 1.201 2.432 2.575 1.00 . A A . 17 THR HA 1 1 3 1218 1 1 17 THR HB H 2.552 4.188 2.015 1.00 . A A . 17 THR HB 1 1 3 1219 1 1 17 THR HG1 H 4.272 4.156 0.771 1.00 . A A . 17 THR HG1 1 1 3 1220 1 1 17 THR HG21 H 4.687 3.697 2.985 1.00 . A A . 17 THR HG21 1 1 3 1221 1 1 17 THR HG22 H 4.538 1.973 2.571 1.00 . A A . 17 THR HG22 1 1 3 1222 1 1 17 THR HG23 H 3.472 2.689 3.798 1.00 . A A . 17 THR HG23 1 1 3 1223 1 1 17 THR N N 2.225 0.788 1.904 1.00 . A A . 17 THR N 1 1 3 1224 1 1 17 THR O O 0.488 3.596 0.328 1.00 . A A . 17 THR O 1 1 3 1225 1 1 17 THR OG1 O 3.750 3.346 0.608 1.00 . A A . 17 THR OG1 1 1 3 1226 1 1 18 GLU C C -1.353 2.090 -1.940 1.00 . A A . 18 GLU C 1 1 3 1227 1 1 18 GLU CA C 0.121 1.690 -1.701 1.00 . A A . 18 GLU CA 1 1 3 1228 1 1 18 GLU CB C 0.450 0.467 -2.576 1.00 . A A . 18 GLU CB 1 1 3 1229 1 1 18 GLU CD C 2.852 0.965 -3.338 1.00 . A A . 18 GLU CD 1 1 3 1230 1 1 18 GLU CG C 1.893 0.000 -2.626 1.00 . A A . 18 GLU CG 1 1 3 1231 1 1 18 GLU H H 0.773 0.517 -0.057 1.00 . A A . 18 GLU H 1 1 3 1232 1 1 18 GLU HA H 0.745 2.523 -2.032 1.00 . A A . 18 GLU HA 1 1 3 1233 1 1 18 GLU HB2 H -0.141 -0.369 -2.207 1.00 . A A . 18 GLU HB2 1 1 3 1234 1 1 18 GLU HB3 H 0.150 0.674 -3.599 1.00 . A A . 18 GLU HB3 1 1 3 1235 1 1 18 GLU HG2 H 2.212 -0.218 -1.623 1.00 . A A . 18 GLU HG2 1 1 3 1236 1 1 18 GLU HG3 H 1.898 -0.946 -3.172 1.00 . A A . 18 GLU HG3 1 1 3 1237 1 1 18 GLU N N 0.531 1.467 -0.304 1.00 . A A . 18 GLU N 1 1 3 1238 1 1 18 GLU O O -1.884 1.818 -3.015 1.00 . A A . 18 GLU O 1 1 3 1239 1 1 18 GLU OE1 O 3.062 2.130 -2.925 1.00 . A A . 18 GLU OE1 1 1 3 1240 1 1 18 GLU OE2 O 3.438 0.546 -4.364 1.00 . A A . 18 GLU OE2 1 1 3 1241 1 1 19 ARG C C -4.560 2.291 -0.871 1.00 . A A . 19 ARG C 1 1 3 1242 1 1 19 ARG CA C -3.380 3.273 -0.913 1.00 . A A . 19 ARG CA 1 1 3 1243 1 1 19 ARG CB C -3.536 4.389 -1.952 1.00 . A A . 19 ARG CB 1 1 3 1244 1 1 19 ARG CD C -4.149 5.279 -4.318 1.00 . A A . 19 ARG CD 1 1 3 1245 1 1 19 ARG CG C -3.638 4.105 -3.468 1.00 . A A . 19 ARG CG 1 1 3 1246 1 1 19 ARG CZ C -5.197 3.956 -6.178 1.00 . A A . 19 ARG CZ 1 1 3 1247 1 1 19 ARG H H -1.413 2.979 -0.188 1.00 . A A . 19 ARG H 1 1 3 1248 1 1 19 ARG HA H -3.421 3.774 0.074 1.00 . A A . 19 ARG HA 1 1 3 1249 1 1 19 ARG HB2 H -4.343 5.019 -1.612 1.00 . A A . 19 ARG HB2 1 1 3 1250 1 1 19 ARG HB3 H -2.619 4.916 -1.873 1.00 . A A . 19 ARG HB3 1 1 3 1251 1 1 19 ARG HD2 H -4.519 6.075 -3.669 1.00 . A A . 19 ARG HD2 1 1 3 1252 1 1 19 ARG HD3 H -3.323 5.684 -4.904 1.00 . A A . 19 ARG HD3 1 1 3 1253 1 1 19 ARG HE H -6.114 5.356 -5.140 1.00 . A A . 19 ARG HE 1 1 3 1254 1 1 19 ARG HG2 H -2.636 3.907 -3.835 1.00 . A A . 19 ARG HG2 1 1 3 1255 1 1 19 ARG HG3 H -4.238 3.225 -3.664 1.00 . A A . 19 ARG HG3 1 1 3 1256 1 1 19 ARG HH11 H -3.249 3.458 -6.042 1.00 . A A . 19 ARG HH11 1 1 3 1257 1 1 19 ARG HH12 H -4.179 2.516 -7.167 1.00 . A A . 19 ARG HH12 1 1 3 1258 1 1 19 ARG HH21 H -7.104 4.284 -6.617 1.00 . A A . 19 ARG HH21 1 1 3 1259 1 1 19 ARG HH22 H -6.304 3.072 -7.609 1.00 . A A . 19 ARG HH22 1 1 3 1260 1 1 19 ARG N N -2.000 2.739 -0.965 1.00 . A A . 19 ARG N 1 1 3 1261 1 1 19 ARG NE N -5.224 4.884 -5.241 1.00 . A A . 19 ARG NE 1 1 3 1262 1 1 19 ARG NH1 N -4.141 3.248 -6.468 1.00 . A A . 19 ARG NH1 1 1 3 1263 1 1 19 ARG NH2 N -6.288 3.734 -6.840 1.00 . A A . 19 ARG NH2 1 1 3 1264 1 1 19 ARG O O -5.234 2.050 -1.896 1.00 . A A . 19 ARG O 1 1 3 1265 1 1 19 ARG OXT O -4.943 1.885 0.233 1.00 . A A . 19 ARG OXT 1 1 3 1266 2 2 1 DT C1' C 8.812 10.304 0.866 1.00 . B B . 20 DT C1' 1 1 3 1267 2 2 1 DT C2 C 10.109 10.610 -1.225 1.00 . B B . 20 DT C2 1 1 3 1268 2 2 1 DT C2' C 7.780 9.193 0.721 1.00 . B B . 20 DT C2' 1 1 3 1269 2 2 1 DT C3' C 6.825 9.552 1.855 1.00 . B B . 20 DT C3' 1 1 3 1270 2 2 1 DT C4 C 12.423 9.844 -1.443 1.00 . B B . 20 DT C4 1 1 3 1271 2 2 1 DT C4' C 7.755 10.193 2.890 1.00 . B B . 20 DT C4' 1 1 3 1272 2 2 1 DT C5 C 12.306 9.288 -0.098 1.00 . B B . 20 DT C5 1 1 3 1273 2 2 1 DT C5' C 7.820 9.463 4.241 1.00 . B B . 20 DT C5' 1 1 3 1274 2 2 1 DT C6 C 11.151 9.428 0.611 1.00 . B B . 20 DT C6 1 1 3 1275 2 2 1 DT C7 C 13.492 8.575 0.522 1.00 . B B . 20 DT C7 1 1 3 1276 2 2 1 DT H1' H 8.344 11.245 0.555 1.00 . B B . 20 DT H1' 1 1 3 1277 2 2 1 DT H2' H 8.248 8.230 0.917 1.00 . B B . 20 DT H2' 1 1 3 1278 2 2 1 DT H2'' H 7.299 9.206 -0.255 1.00 . B B . 20 DT H2'' 1 1 3 1279 2 2 1 DT H3 H 11.362 10.900 -2.824 1.00 . B B . 20 DT H3 1 1 3 1280 2 2 1 DT H3' H 6.335 8.662 2.246 1.00 . B B . 20 DT H3' 1 1 3 1281 2 2 1 DT H4' H 7.382 11.198 3.080 1.00 . B B . 20 DT H4' 1 1 3 1282 2 2 1 DT H5' H 8.606 9.912 4.847 1.00 . B B . 20 DT H5' 1 1 3 1283 2 2 1 DT H5'' H 6.872 9.629 4.754 1.00 . B B . 20 DT H5'' 1 1 3 1284 2 2 1 DT H6 H 11.085 9.029 1.615 1.00 . B B . 20 DT H6 1 1 3 1285 2 2 1 DT H71 H 14.371 9.213 0.467 1.00 . B B . 20 DT H71 1 1 3 1286 2 2 1 DT H72 H 13.698 7.667 -0.037 1.00 . B B . 20 DT H72 1 1 3 1287 2 2 1 DT H73 H 13.302 8.324 1.563 1.00 . B B . 20 DT H73 1 1 3 1288 2 2 1 DT HO5' H 7.802 7.654 5.008 1.00 . B B . 20 DT HO5' 1 1 3 1289 2 2 1 DT N1 N 10.060 10.086 0.077 1.00 . B B . 20 DT N1 1 1 3 1290 2 2 1 DT N3 N 11.292 10.469 -1.912 1.00 . B B . 20 DT N3 1 1 3 1291 2 2 1 DT O2 O 9.160 11.154 -1.793 1.00 . B B . 20 DT O2 1 1 3 1292 2 2 1 DT O3' O 5.886 10.533 1.420 1.00 . B B . 20 DT O3' 1 1 3 1293 2 2 1 DT O4 O 13.412 9.793 -2.173 1.00 . B B . 20 DT O4 1 1 3 1294 2 2 1 DT O4' O 9.030 10.316 2.270 1.00 . B B . 20 DT O4' 1 1 3 1295 2 2 1 DT O5' O 8.035 8.061 4.144 1.00 . B B . 20 DT O5' 1 1 3 1296 2 2 2 DA C1' C 5.148 6.759 -2.466 1.00 . B B . 21 DA C1' 1 1 3 1297 2 2 2 DA C2 C 8.902 5.724 -0.354 1.00 . B B . 21 DA C2 1 1 3 1298 2 2 2 DA C2' C 3.644 6.680 -2.750 1.00 . B B . 21 DA C2' 1 1 3 1299 2 2 2 DA C3' C 3.104 8.050 -2.348 1.00 . B B . 21 DA C3' 1 1 3 1300 2 2 2 DA C4 C 6.702 6.097 -0.534 1.00 . B B . 21 DA C4 1 1 3 1301 2 2 2 DA C4' C 4.354 8.934 -2.467 1.00 . B B . 21 DA C4' 1 1 3 1302 2 2 2 DA C5 C 6.456 5.719 0.762 1.00 . B B . 21 DA C5 1 1 3 1303 2 2 2 DA C5' C 4.582 9.843 -1.252 1.00 . B B . 21 DA C5' 1 1 3 1304 2 2 2 DA C6 C 7.609 5.348 1.484 1.00 . B B . 21 DA C6 1 1 3 1305 2 2 2 DA C8 C 4.571 6.217 -0.040 1.00 . B B . 21 DA C8 1 1 3 1306 2 2 2 DA H1' H 5.707 6.094 -3.133 1.00 . B B . 21 DA H1' 1 1 3 1307 2 2 2 DA H2 H 9.895 5.711 -0.778 1.00 . B B . 21 DA H2 1 1 3 1308 2 2 2 DA H2' H 3.157 5.868 -2.213 1.00 . B B . 21 DA H2' 1 1 3 1309 2 2 2 DA H2'' H 3.478 6.508 -3.793 1.00 . B B . 21 DA H2'' 1 1 3 1310 2 2 2 DA H3' H 2.781 8.006 -1.308 1.00 . B B . 21 DA H3' 1 1 3 1311 2 2 2 DA H4' H 4.227 9.581 -3.338 1.00 . B B . 21 DA H4' 1 1 3 1312 2 2 2 DA H5' H 5.601 10.224 -1.285 1.00 . B B . 21 DA H5' 1 1 3 1313 2 2 2 DA H5'' H 3.917 10.691 -1.359 1.00 . B B . 21 DA H5'' 1 1 3 1314 2 2 2 DA H61 H 8.474 4.607 3.149 1.00 . B B . 21 DA H61 1 1 3 1315 2 2 2 DA H62 H 6.751 4.930 3.251 1.00 . B B . 21 DA H62 1 1 3 1316 2 2 2 DA H8 H 3.512 6.387 -0.188 1.00 . B B . 21 DA H8 1 1 3 1317 2 2 2 DA N1 N 8.814 5.349 0.915 1.00 . B B . 21 DA N1 1 1 3 1318 2 2 2 DA N3 N 7.920 6.119 -1.162 1.00 . B B . 21 DA N3 1 1 3 1319 2 2 2 DA N6 N 7.615 4.952 2.736 1.00 . B B . 21 DA N6 1 1 3 1320 2 2 2 DA N7 N 5.090 5.766 1.068 1.00 . B B . 21 DA N7 1 1 3 1321 2 2 2 DA N9 N 5.465 6.412 -1.060 1.00 . B B . 21 DA N9 1 1 3 1322 2 2 2 DA O3' O 2.014 8.463 -3.172 1.00 . B B . 21 DA O3' 1 1 3 1323 2 2 2 DA O4' O 5.489 8.109 -2.716 1.00 . B B . 21 DA O4' 1 1 3 1324 2 2 2 DA O5' O 4.318 9.261 0.020 1.00 . B B . 21 DA O5' 1 1 3 1325 2 2 2 DA OP1 O 3.585 11.432 1.009 1.00 . B B . 21 DA OP1 1 1 3 1326 2 2 2 DA OP2 O 3.990 9.431 2.529 1.00 . B B . 21 DA OP2 1 1 3 1327 2 2 2 DA P P 4.338 10.190 1.315 1.00 . B B . 21 DA P 1 1 3 1328 2 2 3 DC C1' C -1.994 7.283 -0.044 1.00 . B B . 22 DC C1' 1 1 3 1329 2 2 3 DC C2 C -1.820 7.287 -2.519 1.00 . B B . 22 DC C2 1 1 3 1330 2 2 3 DC C2' C -1.411 6.832 1.298 1.00 . B B . 22 DC C2' 1 1 3 1331 2 2 3 DC C3' C -0.391 7.942 1.585 1.00 . B B . 22 DC C3' 1 1 3 1332 2 2 3 DC C4 C -0.293 6.003 -3.654 1.00 . B B . 22 DC C4 1 1 3 1333 2 2 3 DC C4' C -0.904 9.157 0.793 1.00 . B B . 22 DC C4' 1 1 3 1334 2 2 3 DC C5 C 0.310 5.555 -2.461 1.00 . B B . 22 DC C5 1 1 3 1335 2 2 3 DC C5' C 0.105 9.864 -0.148 1.00 . B B . 22 DC C5' 1 1 3 1336 2 2 3 DC C6 C -0.191 6.036 -1.297 1.00 . B B . 22 DC C6 1 1 3 1337 2 2 3 DC H1' H -3.018 6.901 -0.124 1.00 . B B . 22 DC H1' 1 1 3 1338 2 2 3 DC H2' H -0.969 5.834 1.292 1.00 . B B . 22 DC H2' 1 1 3 1339 2 2 3 DC H2'' H -2.230 6.815 2.011 1.00 . B B . 22 DC H2'' 1 1 3 1340 2 2 3 DC H3' H 0.561 7.646 1.139 1.00 . B B . 22 DC H3' 1 1 3 1341 2 2 3 DC H4' H -1.251 9.905 1.505 1.00 . B B . 22 DC H4' 1 1 3 1342 2 2 3 DC H41 H -0.301 6.024 -5.616 1.00 . B B . 22 DC H41 1 1 3 1343 2 2 3 DC H42 H 1.013 5.090 -4.844 1.00 . B B . 22 DC H42 1 1 3 1344 2 2 3 DC H5 H 1.138 4.865 -2.449 1.00 . B B . 22 DC H5 1 1 3 1345 2 2 3 DC H5' H -0.381 10.754 -0.545 1.00 . B B . 22 DC H5' 1 1 3 1346 2 2 3 DC H5'' H 0.971 10.175 0.437 1.00 . B B . 22 DC H5'' 1 1 3 1347 2 2 3 DC H6 H 0.250 5.732 -0.367 1.00 . B B . 22 DC H6 1 1 3 1348 2 2 3 DC N1 N -1.266 6.895 -1.292 1.00 . B B . 22 DC N1 1 1 3 1349 2 2 3 DC N3 N -1.324 6.816 -3.687 1.00 . B B . 22 DC N3 1 1 3 1350 2 2 3 DC N4 N 0.124 5.576 -4.809 1.00 . B B . 22 DC N4 1 1 3 1351 2 2 3 DC O2 O -2.817 8.011 -2.588 1.00 . B B . 22 DC O2 1 1 3 1352 2 2 3 DC O3' O -0.160 8.198 2.970 1.00 . B B . 22 DC O3' 1 1 3 1353 2 2 3 DC O4' O -2.028 8.697 0.057 1.00 . B B . 22 DC O4' 1 1 3 1354 2 2 3 DC O5' O 0.546 9.051 -1.229 1.00 . B B . 22 DC O5' 1 1 3 1355 2 2 3 DC OP1 O -0.157 9.660 -3.559 1.00 . B B . 22 DC OP1 1 1 3 1356 2 2 3 DC OP2 O 1.790 10.874 -2.496 1.00 . B B . 22 DC OP2 1 1 3 1357 2 2 3 DC P P 1.019 9.620 -2.663 1.00 . B B . 22 DC P 1 1 3 1358 2 2 4 DG C1' C -0.516 3.513 4.879 1.00 . B B . 23 DG C1' 1 1 3 1359 2 2 4 DG C2 C 2.538 6.767 4.720 1.00 . B B . 23 DG C2 1 1 3 1360 2 2 4 DG C2' C -1.514 2.983 5.914 1.00 . B B . 23 DG C2' 1 1 3 1361 2 2 4 DG C3' C -2.515 4.122 6.134 1.00 . B B . 23 DG C3' 1 1 3 1362 2 2 4 DG C4 C 1.707 4.785 5.386 1.00 . B B . 23 DG C4 1 1 3 1363 2 2 4 DG C4' C -2.395 4.884 4.802 1.00 . B B . 23 DG C4' 1 1 3 1364 2 2 4 DG C5 C 2.902 4.391 5.953 1.00 . B B . 23 DG C5 1 1 3 1365 2 2 4 DG C5' C -2.671 6.395 4.841 1.00 . B B . 23 DG C5' 1 1 3 1366 2 2 4 DG C6 C 4.028 5.290 5.887 1.00 . B B . 23 DG C6 1 1 3 1367 2 2 4 DG C8 C 1.557 2.769 6.190 1.00 . B B . 23 DG C8 1 1 3 1368 2 2 4 DG H1 H 4.451 7.192 5.252 1.00 . B B . 23 DG H1 1 1 3 1369 2 2 4 DG H1' H -0.457 2.808 4.049 1.00 . B B . 23 DG H1' 1 1 3 1370 2 2 4 DG H2' H -1.042 2.702 6.854 1.00 . B B . 23 DG H2' 1 1 3 1371 2 2 4 DG H2'' H -1.994 2.086 5.509 1.00 . B B . 23 DG H2'' 1 1 3 1372 2 2 4 DG H21 H 3.163 8.405 3.717 1.00 . B B . 23 DG H21 1 1 3 1373 2 2 4 DG H22 H 1.466 8.042 3.691 1.00 . B B . 23 DG H22 1 1 3 1374 2 2 4 DG H3' H -2.178 4.761 6.952 1.00 . B B . 23 DG H3' 1 1 3 1375 2 2 4 DG H4' H -3.098 4.431 4.105 1.00 . B B . 23 DG H4' 1 1 3 1376 2 2 4 DG H5' H -3.225 6.647 3.937 1.00 . B B . 23 DG H5' 1 1 3 1377 2 2 4 DG H5'' H -3.296 6.628 5.699 1.00 . B B . 23 DG H5'' 1 1 3 1378 2 2 4 DG H8 H 1.148 1.800 6.436 1.00 . B B . 23 DG H8 1 1 3 1379 2 2 4 DG N1 N 3.752 6.474 5.235 1.00 . B B . 23 DG N1 1 1 3 1380 2 2 4 DG N2 N 2.375 7.896 4.112 1.00 . B B . 23 DG N2 1 1 3 1381 2 2 4 DG N3 N 1.466 5.995 4.801 1.00 . B B . 23 DG N3 1 1 3 1382 2 2 4 DG N7 N 2.777 3.113 6.495 1.00 . B B . 23 DG N7 1 1 3 1383 2 2 4 DG N9 N 0.842 3.705 5.483 1.00 . B B . 23 DG N9 1 1 3 1384 2 2 4 DG O3' O -3.784 3.524 6.410 1.00 . B B . 23 DG O3' 1 1 3 1385 2 2 4 DG O4' O -1.075 4.680 4.323 1.00 . B B . 23 DG O4' 1 1 3 1386 2 2 4 DG O5' O -1.484 7.177 4.930 1.00 . B B . 23 DG O5' 1 1 3 1387 2 2 4 DG O6 O 5.182 5.137 6.291 1.00 . B B . 23 DG O6 1 1 3 1388 2 2 4 DG OP1 O -2.533 8.964 3.514 1.00 . B B . 23 DG OP1 1 1 3 1389 2 2 4 DG OP2 O -0.567 9.414 5.074 1.00 . B B . 23 DG OP2 1 1 3 1390 2 2 4 DG P P -1.252 8.533 4.108 1.00 . B B . 23 DG P 1 1 3 1391 2 2 5 DC C1' C -6.219 4.680 1.480 1.00 . B B . 24 DC C1' 1 1 3 1392 2 2 5 DC C2 C -7.764 2.909 0.656 1.00 . B B . 24 DC C2 1 1 3 1393 2 2 5 DC C2' C -7.138 5.867 1.253 1.00 . B B . 24 DC C2' 1 1 3 1394 2 2 5 DC C3' C -7.436 6.325 2.661 1.00 . B B . 24 DC C3' 1 1 3 1395 2 2 5 DC C4 C -8.731 1.339 2.006 1.00 . B B . 24 DC C4 1 1 3 1396 2 2 5 DC C4' C -6.025 6.234 3.231 1.00 . B B . 24 DC C4' 1 1 3 1397 2 2 5 DC C5 C -8.059 1.846 3.156 1.00 . B B . 24 DC C5 1 1 3 1398 2 2 5 DC C5' C -5.979 6.103 4.764 1.00 . B B . 24 DC C5' 1 1 3 1399 2 2 5 DC C6 C -7.221 2.904 2.982 1.00 . B B . 24 DC C6 1 1 3 1400 2 2 5 DC H1' H -5.609 4.487 0.595 1.00 . B B . 24 DC H1' 1 1 3 1401 2 2 5 DC H2' H -8.002 5.585 0.673 1.00 . B B . 24 DC H2' 1 1 3 1402 2 2 5 DC H2'' H -6.621 6.672 0.774 1.00 . B B . 24 DC H2'' 1 1 3 1403 2 2 5 DC H3' H -8.065 5.597 3.145 1.00 . B B . 24 DC H3' 1 1 3 1404 2 2 5 DC H4' H -5.497 7.150 2.951 1.00 . B B . 24 DC H4' 1 1 3 1405 2 2 5 DC H41 H -10.022 0.007 1.266 1.00 . B B . 24 DC H41 1 1 3 1406 2 2 5 DC H42 H -9.731 -0.072 3.014 1.00 . B B . 24 DC H42 1 1 3 1407 2 2 5 DC H5 H -8.204 1.412 4.132 1.00 . B B . 24 DC H5 1 1 3 1408 2 2 5 DC H5' H -5.310 6.863 5.152 1.00 . B B . 24 DC H5' 1 1 3 1409 2 2 5 DC H5'' H -6.964 6.300 5.181 1.00 . B B . 24 DC H5'' 1 1 3 1410 2 2 5 DC H6 H -6.674 3.316 3.814 1.00 . B B . 24 DC H6 1 1 3 1411 2 2 5 DC N1 N -7.053 3.453 1.735 1.00 . B B . 24 DC N1 1 1 3 1412 2 2 5 DC N3 N -8.605 1.861 0.807 1.00 . B B . 24 DC N3 1 1 3 1413 2 2 5 DC N4 N -9.566 0.349 2.100 1.00 . B B . 24 DC N4 1 1 3 1414 2 2 5 DC O2 O -7.731 3.405 -0.467 1.00 . B B . 24 DC O2 1 1 3 1415 2 2 5 DC O3' O -8.008 7.619 2.714 1.00 . B B . 24 DC O3' 1 1 3 1416 2 2 5 DC O4' O -5.408 5.126 2.563 1.00 . B B . 24 DC O4' 1 1 3 1417 2 2 5 DC O5' O -5.519 4.809 5.127 1.00 . B B . 24 DC O5' 1 1 3 1418 2 2 5 DC OP1 O -4.819 5.544 7.432 1.00 . B B . 24 DC OP1 1 1 3 1419 2 2 5 DC OP2 O -6.185 3.432 7.057 1.00 . B B . 24 DC OP2 1 1 3 1420 2 2 5 DC P P -5.133 4.368 6.600 1.00 . B B . 24 DC P 1 1 3 1421 2 2 6 DC C1' C -11.863 3.775 5.426 1.00 . B B . 25 DC C1' 1 1 3 1422 2 2 6 DC C2 C -12.403 3.204 3.012 1.00 . B B . 25 DC C2 1 1 3 1423 2 2 6 DC C2' C -10.394 3.362 5.586 1.00 . B B . 25 DC C2' 1 1 3 1424 2 2 6 DC C3' C -9.588 4.632 5.327 1.00 . B B . 25 DC C3' 1 1 3 1425 2 2 6 DC C4 C -13.814 1.466 2.512 1.00 . B B . 25 DC C4 1 1 3 1426 2 2 6 DC C4' C -10.646 5.727 5.525 1.00 . B B . 25 DC C4' 1 1 3 1427 2 2 6 DC C5 C -13.937 1.097 3.878 1.00 . B B . 25 DC C5 1 1 3 1428 2 2 6 DC C5' C -10.337 7.040 4.790 1.00 . B B . 25 DC C5' 1 1 3 1429 2 2 6 DC C6 C -13.275 1.850 4.792 1.00 . B B . 25 DC C6 1 1 3 1430 2 2 6 DC H1' H -12.367 3.629 6.388 1.00 . B B . 25 DC H1' 1 1 3 1431 2 2 6 DC H2' H -10.133 2.574 4.880 1.00 . B B . 25 DC H2' 1 1 3 1432 2 2 6 DC H2'' H -10.238 2.998 6.604 1.00 . B B . 25 DC H2'' 1 1 3 1433 2 2 6 DC H3' H -9.205 4.663 4.297 1.00 . B B . 25 DC H3' 1 1 3 1434 2 2 6 DC H4' H -10.712 5.943 6.591 1.00 . B B . 25 DC H4' 1 1 3 1435 2 2 6 DC H41 H -14.216 1.061 0.621 1.00 . B B . 25 DC H41 1 1 3 1436 2 2 6 DC H42 H -15.061 0.052 1.800 1.00 . B B . 25 DC H42 1 1 3 1437 2 2 6 DC H5 H -14.519 0.247 4.196 1.00 . B B . 25 DC H5 1 1 3 1438 2 2 6 DC H5' H -11.093 7.781 5.039 1.00 . B B . 25 DC H5' 1 1 3 1439 2 2 6 DC H5'' H -9.366 7.398 5.135 1.00 . B B . 25 DC H5'' 1 1 3 1440 2 2 6 DC H6 H -13.311 1.594 5.847 1.00 . B B . 25 DC H6 1 1 3 1441 2 2 6 DC HO3' H -7.863 4.091 6.180 1.00 . B B . 25 DC HO3' 1 1 3 1442 2 2 6 DC N1 N -12.541 2.941 4.389 1.00 . B B . 25 DC N1 1 1 3 1443 2 2 6 DC N3 N -13.071 2.471 2.092 1.00 . B B . 25 DC N3 1 1 3 1444 2 2 6 DC N4 N -14.421 0.799 1.575 1.00 . B B . 25 DC N4 1 1 3 1445 2 2 6 DC O2 O -11.673 4.085 2.554 1.00 . B B . 25 DC O2 1 1 3 1446 2 2 6 DC O3' O -8.567 4.755 6.309 1.00 . B B . 25 DC O3' 1 1 3 1447 2 2 6 DC O4' O -11.880 5.159 5.116 1.00 . B B . 25 DC O4' 1 1 3 1448 2 2 6 DC O5' O -10.307 6.853 3.383 1.00 . B B . 25 DC O5' 1 1 3 1449 2 2 6 DC OP1 O -9.837 7.398 1.023 1.00 . B B . 25 DC OP1 1 1 3 1450 2 2 6 DC OP2 O -9.867 9.243 2.759 1.00 . B B . 25 DC OP2 1 1 3 1451 2 2 6 DC P P -9.548 7.842 2.399 1.00 . B B . 25 DC P 1 1 3 1452 3 3 1 ZN ZN ZN -0.058 -4.062 -0.344 1.00 . C A . 26 ZN ZN 1 1 4 1453 1 1 1 LYS C C -4.772 -11.559 4.193 1.00 . A A . 1 LYS C 1 1 4 1454 1 1 1 LYS CA C -6.052 -11.867 4.978 1.00 . A A . 1 LYS CA 1 1 4 1455 1 1 1 LYS CB C -7.102 -10.760 4.774 1.00 . A A . 1 LYS CB 1 1 4 1456 1 1 1 LYS CD C -8.803 -11.842 3.180 1.00 . A A . 1 LYS CD 1 1 4 1457 1 1 1 LYS CE C -10.192 -11.212 3.314 1.00 . A A . 1 LYS CE 1 1 4 1458 1 1 1 LYS CG C -7.704 -10.787 3.355 1.00 . A A . 1 LYS CG 1 1 4 1459 1 1 1 LYS H1 H -5.261 -11.338 6.821 1.00 . A A . 1 LYS H1 1 1 4 1460 1 1 1 LYS H2 H -5.182 -12.944 6.515 1.00 . A A . 1 LYS H2 1 1 4 1461 1 1 1 LYS H3 H -6.624 -12.238 6.944 1.00 . A A . 1 LYS H3 1 1 4 1462 1 1 1 LYS HA H -6.454 -12.787 4.557 1.00 . A A . 1 LYS HA 1 1 4 1463 1 1 1 LYS HB2 H -7.914 -10.872 5.494 1.00 . A A . 1 LYS HB2 1 1 4 1464 1 1 1 LYS HB3 H -6.640 -9.787 4.943 1.00 . A A . 1 LYS HB3 1 1 4 1465 1 1 1 LYS HD2 H -8.712 -12.293 2.192 1.00 . A A . 1 LYS HD2 1 1 4 1466 1 1 1 LYS HD3 H -8.689 -12.632 3.922 1.00 . A A . 1 LYS HD3 1 1 4 1467 1 1 1 LYS HE2 H -10.916 -11.996 3.552 1.00 . A A . 1 LYS HE2 1 1 4 1468 1 1 1 LYS HE3 H -10.191 -10.499 4.143 1.00 . A A . 1 LYS HE3 1 1 4 1469 1 1 1 LYS HG2 H -8.120 -9.804 3.139 1.00 . A A . 1 LYS HG2 1 1 4 1470 1 1 1 LYS HG3 H -6.916 -10.971 2.625 1.00 . A A . 1 LYS HG3 1 1 4 1471 1 1 1 LYS HZ1 H -9.926 -9.862 1.735 1.00 . A A . 1 LYS HZ1 1 1 4 1472 1 1 1 LYS HZ2 H -11.508 -10.111 2.164 1.00 . A A . 1 LYS HZ2 1 1 4 1473 1 1 1 LYS HZ3 H -10.691 -11.240 1.313 1.00 . A A . 1 LYS HZ3 1 1 4 1474 1 1 1 LYS N N -5.769 -12.120 6.414 1.00 . A A . 1 LYS N 1 1 4 1475 1 1 1 LYS NZ N -10.598 -10.549 2.057 1.00 . A A . 1 LYS NZ 1 1 4 1476 1 1 1 LYS O O -4.556 -12.163 3.143 1.00 . A A . 1 LYS O 1 1 4 1477 1 1 2 GLY C C -2.323 -8.790 4.043 1.00 . A A . 2 GLY C 1 1 4 1478 1 1 2 GLY CA C -2.642 -10.285 4.059 1.00 . A A . 2 GLY CA 1 1 4 1479 1 1 2 GLY H H -4.170 -10.141 5.518 1.00 . A A . 2 GLY H 1 1 4 1480 1 1 2 GLY HA2 H -1.864 -10.773 4.648 1.00 . A A . 2 GLY HA2 1 1 4 1481 1 1 2 GLY HA3 H -2.597 -10.667 3.041 1.00 . A A . 2 GLY HA3 1 1 4 1482 1 1 2 GLY N N -3.938 -10.618 4.652 1.00 . A A . 2 GLY N 1 1 4 1483 1 1 2 GLY O O -2.424 -8.117 5.071 1.00 . A A . 2 GLY O 1 1 4 1484 1 1 3 CYS C C -2.980 -6.054 3.066 1.00 . A A . 3 CYS C 1 1 4 1485 1 1 3 CYS CA C -1.727 -6.844 2.651 1.00 . A A . 3 CYS CA 1 1 4 1486 1 1 3 CYS CB C -1.392 -6.562 1.173 1.00 . A A . 3 CYS CB 1 1 4 1487 1 1 3 CYS H H -1.864 -8.886 2.071 1.00 . A A . 3 CYS H 1 1 4 1488 1 1 3 CYS HA H -0.887 -6.523 3.267 1.00 . A A . 3 CYS HA 1 1 4 1489 1 1 3 CYS HB2 H -1.174 -7.500 0.669 1.00 . A A . 3 CYS HB2 1 1 4 1490 1 1 3 CYS HB3 H -2.276 -6.125 0.712 1.00 . A A . 3 CYS HB3 1 1 4 1491 1 1 3 CYS N N -1.932 -8.277 2.866 1.00 . A A . 3 CYS N 1 1 4 1492 1 1 3 CYS O O -4.117 -6.535 3.002 1.00 . A A . 3 CYS O 1 1 4 1493 1 1 3 CYS SG S -0.024 -5.383 0.944 1.00 . A A . 3 CYS SG 1 1 4 1494 1 1 4 TRP C C -4.773 -3.589 2.585 1.00 . A A . 4 TRP C 1 1 4 1495 1 1 4 TRP CA C -3.825 -3.854 3.764 1.00 . A A . 4 TRP CA 1 1 4 1496 1 1 4 TRP CB C -3.111 -2.585 4.199 1.00 . A A . 4 TRP CB 1 1 4 1497 1 1 4 TRP CD1 C -5.074 -0.972 4.482 1.00 . A A . 4 TRP CD1 1 1 4 1498 1 1 4 TRP CD2 C -3.274 -0.101 3.468 1.00 . A A . 4 TRP CD2 1 1 4 1499 1 1 4 TRP CE2 C -4.236 0.939 3.559 1.00 . A A . 4 TRP CE2 1 1 4 1500 1 1 4 TRP CE3 C -2.020 0.205 2.905 1.00 . A A . 4 TRP CE3 1 1 4 1501 1 1 4 TRP CG C -3.830 -1.295 4.064 1.00 . A A . 4 TRP CG 1 1 4 1502 1 1 4 TRP CH2 C -2.723 2.496 2.495 1.00 . A A . 4 TRP CH2 1 1 4 1503 1 1 4 TRP CZ2 C -3.955 2.227 3.108 1.00 . A A . 4 TRP CZ2 1 1 4 1504 1 1 4 TRP CZ3 C -1.756 1.485 2.411 1.00 . A A . 4 TRP CZ3 1 1 4 1505 1 1 4 TRP H H -1.811 -4.479 3.412 1.00 . A A . 4 TRP H 1 1 4 1506 1 1 4 TRP HA H -4.425 -4.230 4.597 1.00 . A A . 4 TRP HA 1 1 4 1507 1 1 4 TRP HB2 H -2.772 -2.678 5.222 1.00 . A A . 4 TRP HB2 1 1 4 1508 1 1 4 TRP HB3 H -2.205 -2.487 3.598 1.00 . A A . 4 TRP HB3 1 1 4 1509 1 1 4 TRP HD1 H -5.762 -1.640 4.992 1.00 . A A . 4 TRP HD1 1 1 4 1510 1 1 4 TRP HE1 H -6.212 0.811 4.344 1.00 . A A . 4 TRP HE1 1 1 4 1511 1 1 4 TRP HE3 H -1.253 -0.550 2.858 1.00 . A A . 4 TRP HE3 1 1 4 1512 1 1 4 TRP HH2 H -2.506 3.488 2.128 1.00 . A A . 4 TRP HH2 1 1 4 1513 1 1 4 TRP HZ2 H -4.686 2.996 3.251 1.00 . A A . 4 TRP HZ2 1 1 4 1514 1 1 4 TRP HZ3 H -0.790 1.678 2.000 1.00 . A A . 4 TRP HZ3 1 1 4 1515 1 1 4 TRP N N -2.768 -4.802 3.428 1.00 . A A . 4 TRP N 1 1 4 1516 1 1 4 TRP NE1 N -5.328 0.350 4.162 1.00 . A A . 4 TRP NE1 1 1 4 1517 1 1 4 TRP O O -5.987 -3.762 2.722 1.00 . A A . 4 TRP O 1 1 4 1518 1 1 5 LYS C C -4.851 -3.882 -0.908 1.00 . A A . 5 LYS C 1 1 4 1519 1 1 5 LYS CA C -4.971 -2.851 0.215 1.00 . A A . 5 LYS CA 1 1 4 1520 1 1 5 LYS CB C -4.564 -1.424 -0.206 1.00 . A A . 5 LYS CB 1 1 4 1521 1 1 5 LYS CD C -3.153 -1.536 -2.371 1.00 . A A . 5 LYS CD 1 1 4 1522 1 1 5 LYS CE C -3.668 -0.314 -3.122 1.00 . A A . 5 LYS CE 1 1 4 1523 1 1 5 LYS CG C -3.170 -1.303 -0.846 1.00 . A A . 5 LYS CG 1 1 4 1524 1 1 5 LYS H H -3.216 -3.072 1.424 1.00 . A A . 5 LYS H 1 1 4 1525 1 1 5 LYS HA H -6.033 -2.796 0.463 1.00 . A A . 5 LYS HA 1 1 4 1526 1 1 5 LYS HB2 H -5.310 -1.016 -0.889 1.00 . A A . 5 LYS HB2 1 1 4 1527 1 1 5 LYS HB3 H -4.579 -0.790 0.685 1.00 . A A . 5 LYS HB3 1 1 4 1528 1 1 5 LYS HD2 H -2.128 -1.714 -2.689 1.00 . A A . 5 LYS HD2 1 1 4 1529 1 1 5 LYS HD3 H -3.733 -2.409 -2.649 1.00 . A A . 5 LYS HD3 1 1 4 1530 1 1 5 LYS HE2 H -4.237 0.307 -2.424 1.00 . A A . 5 LYS HE2 1 1 4 1531 1 1 5 LYS HE3 H -2.808 0.272 -3.464 1.00 . A A . 5 LYS HE3 1 1 4 1532 1 1 5 LYS HG2 H -2.782 -0.303 -0.645 1.00 . A A . 5 LYS HG2 1 1 4 1533 1 1 5 LYS HG3 H -2.498 -2.010 -0.371 1.00 . A A . 5 LYS HG3 1 1 4 1534 1 1 5 LYS HZ1 H -4.775 0.177 -4.788 1.00 . A A . 5 LYS HZ1 1 1 4 1535 1 1 5 LYS HZ2 H -5.387 -1.107 -3.960 1.00 . A A . 5 LYS HZ2 1 1 4 1536 1 1 5 LYS HZ3 H -4.072 -1.310 -4.921 1.00 . A A . 5 LYS HZ3 1 1 4 1537 1 1 5 LYS N N -4.218 -3.219 1.425 1.00 . A A . 5 LYS N 1 1 4 1538 1 1 5 LYS NZ N -4.526 -0.664 -4.277 1.00 . A A . 5 LYS NZ 1 1 4 1539 1 1 5 LYS O O -5.810 -4.060 -1.655 1.00 . A A . 5 LYS O 1 1 4 1540 1 1 6 CYS C C -4.170 -6.730 -2.017 1.00 . A A . 6 CYS C 1 1 4 1541 1 1 6 CYS CA C -3.371 -5.426 -2.138 1.00 . A A . 6 CYS CA 1 1 4 1542 1 1 6 CYS CB C -1.846 -5.635 -2.215 1.00 . A A . 6 CYS CB 1 1 4 1543 1 1 6 CYS H H -2.914 -4.232 -0.471 1.00 . A A . 6 CYS H 1 1 4 1544 1 1 6 CYS HA H -3.672 -4.935 -3.059 1.00 . A A . 6 CYS HA 1 1 4 1545 1 1 6 CYS HB2 H -1.540 -6.460 -1.571 1.00 . A A . 6 CYS HB2 1 1 4 1546 1 1 6 CYS HB3 H -1.596 -5.900 -3.242 1.00 . A A . 6 CYS HB3 1 1 4 1547 1 1 6 CYS N N -3.695 -4.546 -1.025 1.00 . A A . 6 CYS N 1 1 4 1548 1 1 6 CYS O O -5.133 -6.951 -2.752 1.00 . A A . 6 CYS O 1 1 4 1549 1 1 6 CYS SG S -0.934 -4.147 -1.727 1.00 . A A . 6 CYS SG 1 1 4 1550 1 1 7 GLY C C -3.739 -10.063 -0.859 1.00 . A A . 7 GLY C 1 1 4 1551 1 1 7 GLY CA C -4.523 -8.770 -0.648 1.00 . A A . 7 GLY CA 1 1 4 1552 1 1 7 GLY H H -3.110 -7.193 -0.393 1.00 . A A . 7 GLY H 1 1 4 1553 1 1 7 GLY HA2 H -4.812 -8.729 0.397 1.00 . A A . 7 GLY HA2 1 1 4 1554 1 1 7 GLY HA3 H -5.416 -8.849 -1.251 1.00 . A A . 7 GLY HA3 1 1 4 1555 1 1 7 GLY N N -3.828 -7.532 -1.005 1.00 . A A . 7 GLY N 1 1 4 1556 1 1 7 GLY O O -4.331 -11.062 -1.261 1.00 . A A . 7 GLY O 1 1 4 1557 1 1 8 LYS C C -0.523 -11.655 0.020 1.00 . A A . 8 LYS C 1 1 4 1558 1 1 8 LYS CA C -1.494 -11.150 -1.062 1.00 . A A . 8 LYS CA 1 1 4 1559 1 1 8 LYS CB C -0.672 -10.717 -2.282 1.00 . A A . 8 LYS CB 1 1 4 1560 1 1 8 LYS CD C -0.587 -9.671 -4.612 1.00 . A A . 8 LYS CD 1 1 4 1561 1 1 8 LYS CE C -0.050 -8.244 -4.452 1.00 . A A . 8 LYS CE 1 1 4 1562 1 1 8 LYS CG C -1.485 -10.147 -3.459 1.00 . A A . 8 LYS CG 1 1 4 1563 1 1 8 LYS H H -1.986 -9.160 -0.442 1.00 . A A . 8 LYS H 1 1 4 1564 1 1 8 LYS HA H -2.083 -12.021 -1.334 1.00 . A A . 8 LYS HA 1 1 4 1565 1 1 8 LYS HB2 H 0.046 -9.981 -1.932 1.00 . A A . 8 LYS HB2 1 1 4 1566 1 1 8 LYS HB3 H -0.106 -11.572 -2.654 1.00 . A A . 8 LYS HB3 1 1 4 1567 1 1 8 LYS HD2 H 0.241 -10.363 -4.758 1.00 . A A . 8 LYS HD2 1 1 4 1568 1 1 8 LYS HD3 H -1.190 -9.684 -5.522 1.00 . A A . 8 LYS HD3 1 1 4 1569 1 1 8 LYS HE2 H 0.483 -7.978 -5.364 1.00 . A A . 8 LYS HE2 1 1 4 1570 1 1 8 LYS HE3 H -0.886 -7.550 -4.346 1.00 . A A . 8 LYS HE3 1 1 4 1571 1 1 8 LYS HG2 H -2.142 -10.931 -3.834 1.00 . A A . 8 LYS HG2 1 1 4 1572 1 1 8 LYS HG3 H -2.103 -9.307 -3.136 1.00 . A A . 8 LYS HG3 1 1 4 1573 1 1 8 LYS HZ1 H 1.526 -8.872 -3.239 1.00 . A A . 8 LYS HZ1 1 1 4 1574 1 1 8 LYS HZ2 H 0.364 -8.097 -2.410 1.00 . A A . 8 LYS HZ2 1 1 4 1575 1 1 8 LYS HZ3 H 1.410 -7.249 -3.345 1.00 . A A . 8 LYS HZ3 1 1 4 1576 1 1 8 LYS N N -2.410 -10.048 -0.668 1.00 . A A . 8 LYS N 1 1 4 1577 1 1 8 LYS NZ N 0.866 -8.101 -3.290 1.00 . A A . 8 LYS NZ 1 1 4 1578 1 1 8 LYS O O 0.399 -12.421 -0.275 1.00 . A A . 8 LYS O 1 1 4 1579 1 1 9 GLU C C 1.642 -11.145 2.258 1.00 . A A . 9 GLU C 1 1 4 1580 1 1 9 GLU CA C 0.151 -11.518 2.422 1.00 . A A . 9 GLU CA 1 1 4 1581 1 1 9 GLU CB C -0.037 -12.987 2.838 1.00 . A A . 9 GLU CB 1 1 4 1582 1 1 9 GLU CD C -1.663 -14.910 3.312 1.00 . A A . 9 GLU CD 1 1 4 1583 1 1 9 GLU CG C -1.492 -13.404 3.102 1.00 . A A . 9 GLU CG 1 1 4 1584 1 1 9 GLU H H -1.571 -10.717 1.422 1.00 . A A . 9 GLU H 1 1 4 1585 1 1 9 GLU HA H -0.176 -10.911 3.262 1.00 . A A . 9 GLU HA 1 1 4 1586 1 1 9 GLU HB2 H 0.358 -13.622 2.049 1.00 . A A . 9 GLU HB2 1 1 4 1587 1 1 9 GLU HB3 H 0.541 -13.173 3.742 1.00 . A A . 9 GLU HB3 1 1 4 1588 1 1 9 GLU HG2 H -1.841 -12.886 3.995 1.00 . A A . 9 GLU HG2 1 1 4 1589 1 1 9 GLU HG3 H -2.121 -13.109 2.259 1.00 . A A . 9 GLU HG3 1 1 4 1590 1 1 9 GLU N N -0.709 -11.204 1.260 1.00 . A A . 9 GLU N 1 1 4 1591 1 1 9 GLU O O 2.497 -11.671 2.968 1.00 . A A . 9 GLU O 1 1 4 1592 1 1 9 GLU OE1 O -0.693 -15.680 3.095 1.00 . A A . 9 GLU OE1 1 1 4 1593 1 1 9 GLU OE2 O -2.760 -15.328 3.735 1.00 . A A . 9 GLU OE2 1 1 4 1594 1 1 10 GLY C C 4.049 -9.071 2.041 1.00 . A A . 10 GLY C 1 1 4 1595 1 1 10 GLY CA C 3.359 -9.921 0.979 1.00 . A A . 10 GLY CA 1 1 4 1596 1 1 10 GLY H H 1.246 -9.733 0.853 1.00 . A A . 10 GLY H 1 1 4 1597 1 1 10 GLY HA2 H 3.919 -10.847 0.846 1.00 . A A . 10 GLY HA2 1 1 4 1598 1 1 10 GLY HA3 H 3.366 -9.374 0.038 1.00 . A A . 10 GLY HA3 1 1 4 1599 1 1 10 GLY N N 1.974 -10.239 1.332 1.00 . A A . 10 GLY N 1 1 4 1600 1 1 10 GLY O O 5.246 -9.246 2.287 1.00 . A A . 10 GLY O 1 1 4 1601 1 1 11 HIS C C 2.524 -6.738 4.560 1.00 . A A . 11 HIS C 1 1 4 1602 1 1 11 HIS CA C 3.728 -7.377 3.836 1.00 . A A . 11 HIS CA 1 1 4 1603 1 1 11 HIS CB C 4.741 -6.305 3.376 1.00 . A A . 11 HIS CB 1 1 4 1604 1 1 11 HIS CD2 C 3.065 -4.913 2.037 1.00 . A A . 11 HIS CD2 1 1 4 1605 1 1 11 HIS CE1 C 4.131 -4.726 0.137 1.00 . A A . 11 HIS CE1 1 1 4 1606 1 1 11 HIS CG C 4.269 -5.546 2.168 1.00 . A A . 11 HIS CG 1 1 4 1607 1 1 11 HIS H H 2.326 -8.085 2.414 1.00 . A A . 11 HIS H 1 1 4 1608 1 1 11 HIS HA H 4.212 -8.045 4.540 1.00 . A A . 11 HIS HA 1 1 4 1609 1 1 11 HIS HB2 H 4.935 -5.605 4.191 1.00 . A A . 11 HIS HB2 1 1 4 1610 1 1 11 HIS HB3 H 5.687 -6.781 3.139 1.00 . A A . 11 HIS HB3 1 1 4 1611 1 1 11 HIS HD1 H 5.877 -5.701 0.777 1.00 . A A . 11 HIS HD1 1 1 4 1612 1 1 11 HIS HD2 H 2.319 -4.720 2.797 1.00 . A A . 11 HIS HD2 1 1 4 1613 1 1 11 HIS HE1 H 4.408 -4.366 -0.844 1.00 . A A . 11 HIS HE1 1 1 4 1614 1 1 11 HIS N N 3.297 -8.175 2.686 1.00 . A A . 11 HIS N 1 1 4 1615 1 1 11 HIS ND1 N 4.927 -5.419 0.964 1.00 . A A . 11 HIS ND1 1 1 4 1616 1 1 11 HIS NE2 N 2.955 -4.472 0.728 1.00 . A A . 11 HIS NE2 1 1 4 1617 1 1 11 HIS O O 1.377 -7.161 4.402 1.00 . A A . 11 HIS O 1 1 4 1618 1 1 12 GLN C C 1.957 -3.370 5.673 1.00 . A A . 12 GLN C 1 1 4 1619 1 1 12 GLN CA C 1.892 -4.850 6.092 1.00 . A A . 12 GLN CA 1 1 4 1620 1 1 12 GLN CB C 2.262 -5.054 7.559 1.00 . A A . 12 GLN CB 1 1 4 1621 1 1 12 GLN CD C 1.555 -5.917 9.786 1.00 . A A . 12 GLN CD 1 1 4 1622 1 1 12 GLN CG C 1.188 -5.833 8.318 1.00 . A A . 12 GLN CG 1 1 4 1623 1 1 12 GLN H H 3.778 -5.443 5.414 1.00 . A A . 12 GLN H 1 1 4 1624 1 1 12 GLN HA H 0.874 -5.156 5.906 1.00 . A A . 12 GLN HA 1 1 4 1625 1 1 12 GLN HB2 H 3.202 -5.597 7.659 1.00 . A A . 12 GLN HB2 1 1 4 1626 1 1 12 GLN HB3 H 2.432 -4.081 7.996 1.00 . A A . 12 GLN HB3 1 1 4 1627 1 1 12 GLN HE21 H 0.951 -4.027 10.114 1.00 . A A . 12 GLN HE21 1 1 4 1628 1 1 12 GLN HE22 H 1.585 -4.907 11.506 1.00 . A A . 12 GLN HE22 1 1 4 1629 1 1 12 GLN HG2 H 0.229 -5.330 8.212 1.00 . A A . 12 GLN HG2 1 1 4 1630 1 1 12 GLN HG3 H 1.105 -6.840 7.905 1.00 . A A . 12 GLN HG3 1 1 4 1631 1 1 12 GLN N N 2.805 -5.693 5.337 1.00 . A A . 12 GLN N 1 1 4 1632 1 1 12 GLN NE2 N 1.322 -4.869 10.535 1.00 . A A . 12 GLN NE2 1 1 4 1633 1 1 12 GLN O O 2.786 -3.017 4.841 1.00 . A A . 12 GLN O 1 1 4 1634 1 1 12 GLN OE1 O 2.082 -6.912 10.278 1.00 . A A . 12 GLN OE1 1 1 4 1635 1 1 13 MET C C 2.258 -0.330 5.632 1.00 . A A . 13 MET C 1 1 4 1636 1 1 13 MET CA C 0.951 -1.101 5.735 1.00 . A A . 13 MET CA 1 1 4 1637 1 1 13 MET CB C -0.017 -0.280 6.594 1.00 . A A . 13 MET CB 1 1 4 1638 1 1 13 MET CE C -2.191 0.797 8.793 1.00 . A A . 13 MET CE 1 1 4 1639 1 1 13 MET CG C -1.461 -0.742 6.526 1.00 . A A . 13 MET CG 1 1 4 1640 1 1 13 MET H H 0.535 -2.775 7.012 1.00 . A A . 13 MET H 1 1 4 1641 1 1 13 MET HA H 0.554 -1.105 4.723 1.00 . A A . 13 MET HA 1 1 4 1642 1 1 13 MET HB2 H 0.321 -0.240 7.628 1.00 . A A . 13 MET HB2 1 1 4 1643 1 1 13 MET HB3 H -0.021 0.706 6.157 1.00 . A A . 13 MET HB3 1 1 4 1644 1 1 13 MET HE1 H -1.289 1.404 8.738 1.00 . A A . 13 MET HE1 1 1 4 1645 1 1 13 MET HE2 H -2.966 1.373 9.297 1.00 . A A . 13 MET HE2 1 1 4 1646 1 1 13 MET HE3 H -1.993 -0.114 9.355 1.00 . A A . 13 MET HE3 1 1 4 1647 1 1 13 MET HG2 H -1.658 -0.915 5.477 1.00 . A A . 13 MET HG2 1 1 4 1648 1 1 13 MET HG3 H -1.558 -1.674 7.061 1.00 . A A . 13 MET HG3 1 1 4 1649 1 1 13 MET N N 1.107 -2.487 6.225 1.00 . A A . 13 MET N 1 1 4 1650 1 1 13 MET O O 2.435 0.374 4.643 1.00 . A A . 13 MET O 1 1 4 1651 1 1 13 MET SD S -2.743 0.387 7.120 1.00 . A A . 13 MET SD 1 1 4 1652 1 1 14 LYS C C 5.381 -0.203 5.455 1.00 . A A . 14 LYS C 1 1 4 1653 1 1 14 LYS CA C 4.475 0.184 6.621 1.00 . A A . 14 LYS CA 1 1 4 1654 1 1 14 LYS CB C 5.148 -0.090 7.973 1.00 . A A . 14 LYS CB 1 1 4 1655 1 1 14 LYS CD C 4.649 0.334 10.469 1.00 . A A . 14 LYS CD 1 1 4 1656 1 1 14 LYS CE C 3.250 0.304 11.114 1.00 . A A . 14 LYS CE 1 1 4 1657 1 1 14 LYS CG C 4.656 0.908 9.038 1.00 . A A . 14 LYS CG 1 1 4 1658 1 1 14 LYS H H 2.949 -1.142 7.341 1.00 . A A . 14 LYS H 1 1 4 1659 1 1 14 LYS HA H 4.316 1.253 6.518 1.00 . A A . 14 LYS HA 1 1 4 1660 1 1 14 LYS HB2 H 4.940 -1.118 8.267 1.00 . A A . 14 LYS HB2 1 1 4 1661 1 1 14 LYS HB3 H 6.230 -0.004 7.877 1.00 . A A . 14 LYS HB3 1 1 4 1662 1 1 14 LYS HD2 H 5.069 -0.672 10.473 1.00 . A A . 14 LYS HD2 1 1 4 1663 1 1 14 LYS HD3 H 5.292 0.952 11.095 1.00 . A A . 14 LYS HD3 1 1 4 1664 1 1 14 LYS HE2 H 3.347 -0.129 12.111 1.00 . A A . 14 LYS HE2 1 1 4 1665 1 1 14 LYS HE3 H 2.879 1.329 11.231 1.00 . A A . 14 LYS HE3 1 1 4 1666 1 1 14 LYS HG2 H 5.302 1.786 9.016 1.00 . A A . 14 LYS HG2 1 1 4 1667 1 1 14 LYS HG3 H 3.656 1.252 8.786 1.00 . A A . 14 LYS HG3 1 1 4 1668 1 1 14 LYS HZ1 H 1.483 -0.752 10.909 1.00 . A A . 14 LYS HZ1 1 1 4 1669 1 1 14 LYS HZ2 H 2.700 -1.355 10.003 1.00 . A A . 14 LYS HZ2 1 1 4 1670 1 1 14 LYS HZ3 H 1.924 0.064 9.551 1.00 . A A . 14 LYS HZ3 1 1 4 1671 1 1 14 LYS N N 3.169 -0.492 6.599 1.00 . A A . 14 LYS N 1 1 4 1672 1 1 14 LYS NZ N 2.274 -0.488 10.331 1.00 . A A . 14 LYS NZ 1 1 4 1673 1 1 14 LYS O O 6.257 0.582 5.095 1.00 . A A . 14 LYS O 1 1 4 1674 1 1 15 ASP C C 5.071 -1.861 2.409 1.00 . A A . 15 ASP C 1 1 4 1675 1 1 15 ASP CA C 5.899 -1.881 3.703 1.00 . A A . 15 ASP CA 1 1 4 1676 1 1 15 ASP CB C 6.398 -3.283 4.050 1.00 . A A . 15 ASP CB 1 1 4 1677 1 1 15 ASP CG C 7.822 -3.309 4.597 1.00 . A A . 15 ASP CG 1 1 4 1678 1 1 15 ASP H H 4.415 -1.971 5.232 1.00 . A A . 15 ASP H 1 1 4 1679 1 1 15 ASP HA H 6.763 -1.253 3.501 1.00 . A A . 15 ASP HA 1 1 4 1680 1 1 15 ASP HB2 H 5.741 -3.719 4.797 1.00 . A A . 15 ASP HB2 1 1 4 1681 1 1 15 ASP HB3 H 6.374 -3.899 3.156 1.00 . A A . 15 ASP HB3 1 1 4 1682 1 1 15 ASP N N 5.164 -1.379 4.870 1.00 . A A . 15 ASP N 1 1 4 1683 1 1 15 ASP O O 5.619 -2.007 1.318 1.00 . A A . 15 ASP O 1 1 4 1684 1 1 15 ASP OD1 O 8.315 -2.316 5.186 1.00 . A A . 15 ASP OD1 1 1 4 1685 1 1 15 ASP OD2 O 8.493 -4.348 4.445 1.00 . A A . 15 ASP OD2 1 1 4 1686 1 1 16 CYS C C 2.816 -0.007 0.973 1.00 . A A . 16 CYS C 1 1 4 1687 1 1 16 CYS CA C 2.816 -1.465 1.437 1.00 . A A . 16 CYS CA 1 1 4 1688 1 1 16 CYS CB C 1.456 -2.011 1.905 1.00 . A A . 16 CYS CB 1 1 4 1689 1 1 16 CYS H H 3.386 -1.606 3.466 1.00 . A A . 16 CYS H 1 1 4 1690 1 1 16 CYS HA H 3.141 -2.059 0.602 1.00 . A A . 16 CYS HA 1 1 4 1691 1 1 16 CYS HB2 H 1.575 -2.971 2.362 1.00 . A A . 16 CYS HB2 1 1 4 1692 1 1 16 CYS HB3 H 1.109 -1.447 2.744 1.00 . A A . 16 CYS HB3 1 1 4 1693 1 1 16 CYS N N 3.760 -1.641 2.529 1.00 . A A . 16 CYS N 1 1 4 1694 1 1 16 CYS O O 3.402 0.347 -0.053 1.00 . A A . 16 CYS O 1 1 4 1695 1 1 16 CYS SG S 0.221 -2.122 0.595 1.00 . A A . 16 CYS SG 1 1 4 1696 1 1 17 THR C C 1.243 2.567 0.228 1.00 . A A . 17 THR C 1 1 4 1697 1 1 17 THR CA C 2.024 2.298 1.513 1.00 . A A . 17 THR CA 1 1 4 1698 1 1 17 THR CB C 3.339 3.112 1.570 1.00 . A A . 17 THR CB 1 1 4 1699 1 1 17 THR CG2 C 4.204 2.642 2.725 1.00 . A A . 17 THR CG2 1 1 4 1700 1 1 17 THR H H 1.948 0.513 2.699 1.00 . A A . 17 THR H 1 1 4 1701 1 1 17 THR HA H 1.397 2.677 2.321 1.00 . A A . 17 THR HA 1 1 4 1702 1 1 17 THR HB H 3.097 4.166 1.713 1.00 . A A . 17 THR HB 1 1 4 1703 1 1 17 THR HG1 H 4.085 2.048 0.136 1.00 . A A . 17 THR HG1 1 1 4 1704 1 1 17 THR HG21 H 4.947 3.396 2.951 1.00 . A A . 17 THR HG21 1 1 4 1705 1 1 17 THR HG22 H 4.686 1.706 2.444 1.00 . A A . 17 THR HG22 1 1 4 1706 1 1 17 THR HG23 H 3.578 2.480 3.594 1.00 . A A . 17 THR HG23 1 1 4 1707 1 1 17 THR N N 2.231 0.866 1.792 1.00 . A A . 17 THR N 1 1 4 1708 1 1 17 THR O O 1.319 3.669 -0.300 1.00 . A A . 17 THR O 1 1 4 1709 1 1 17 THR OG1 O 4.155 2.976 0.422 1.00 . A A . 17 THR OG1 1 1 4 1710 1 1 18 GLU C C -1.295 2.472 -1.942 1.00 . A A . 18 GLU C 1 1 4 1711 1 1 18 GLU CA C 0.022 1.689 -1.701 1.00 . A A . 18 GLU CA 1 1 4 1712 1 1 18 GLU CB C -0.110 0.281 -2.310 1.00 . A A . 18 GLU CB 1 1 4 1713 1 1 18 GLU CD C 2.087 0.165 -3.658 1.00 . A A . 18 GLU CD 1 1 4 1714 1 1 18 GLU CG C 1.195 -0.463 -2.583 1.00 . A A . 18 GLU CG 1 1 4 1715 1 1 18 GLU H H 0.489 0.679 0.130 1.00 . A A . 18 GLU H 1 1 4 1716 1 1 18 GLU HA H 0.829 2.215 -2.213 1.00 . A A . 18 GLU HA 1 1 4 1717 1 1 18 GLU HB2 H -0.693 -0.321 -1.619 1.00 . A A . 18 GLU HB2 1 1 4 1718 1 1 18 GLU HB3 H -0.654 0.331 -3.251 1.00 . A A . 18 GLU HB3 1 1 4 1719 1 1 18 GLU HG2 H 1.736 -0.548 -1.646 1.00 . A A . 18 GLU HG2 1 1 4 1720 1 1 18 GLU HG3 H 0.936 -1.469 -2.916 1.00 . A A . 18 GLU HG3 1 1 4 1721 1 1 18 GLU N N 0.491 1.598 -0.309 1.00 . A A . 18 GLU N 1 1 4 1722 1 1 18 GLU O O -1.716 2.590 -3.098 1.00 . A A . 18 GLU O 1 1 4 1723 1 1 18 GLU OE1 O 1.682 1.149 -4.319 1.00 . A A . 18 GLU OE1 1 1 4 1724 1 1 18 GLU OE2 O 3.214 -0.336 -3.895 1.00 . A A . 18 GLU OE2 1 1 4 1725 1 1 19 ARG C C -4.369 2.483 -1.164 1.00 . A A . 19 ARG C 1 1 4 1726 1 1 19 ARG CA C -3.323 3.564 -0.888 1.00 . A A . 19 ARG CA 1 1 4 1727 1 1 19 ARG CB C -3.415 4.783 -1.827 1.00 . A A . 19 ARG CB 1 1 4 1728 1 1 19 ARG CD C -4.901 6.508 -2.951 1.00 . A A . 19 ARG CD 1 1 4 1729 1 1 19 ARG CG C -4.736 5.545 -1.757 1.00 . A A . 19 ARG CG 1 1 4 1730 1 1 19 ARG CZ C -5.228 8.821 -2.094 1.00 . A A . 19 ARG CZ 1 1 4 1731 1 1 19 ARG H H -1.550 2.826 0.010 1.00 . A A . 19 ARG H 1 1 4 1732 1 1 19 ARG HA H -3.546 3.887 0.136 1.00 . A A . 19 ARG HA 1 1 4 1733 1 1 19 ARG HB2 H -2.626 5.474 -1.587 1.00 . A A . 19 ARG HB2 1 1 4 1734 1 1 19 ARG HB3 H -3.274 4.457 -2.857 1.00 . A A . 19 ARG HB3 1 1 4 1735 1 1 19 ARG HD2 H -4.345 6.137 -3.809 1.00 . A A . 19 ARG HD2 1 1 4 1736 1 1 19 ARG HD3 H -5.946 6.527 -3.252 1.00 . A A . 19 ARG HD3 1 1 4 1737 1 1 19 ARG HE H -3.570 8.185 -2.989 1.00 . A A . 19 ARG HE 1 1 4 1738 1 1 19 ARG HG2 H -5.551 4.832 -1.786 1.00 . A A . 19 ARG HG2 1 1 4 1739 1 1 19 ARG HG3 H -4.782 6.081 -0.808 1.00 . A A . 19 ARG HG3 1 1 4 1740 1 1 19 ARG HH11 H -6.804 7.647 -1.665 1.00 . A A . 19 ARG HH11 1 1 4 1741 1 1 19 ARG HH12 H -6.926 9.323 -1.161 1.00 . A A . 19 ARG HH12 1 1 4 1742 1 1 19 ARG HH21 H -3.972 10.326 -2.538 1.00 . A A . 19 ARG HH21 1 1 4 1743 1 1 19 ARG HH22 H -5.402 10.751 -1.619 1.00 . A A . 19 ARG HH22 1 1 4 1744 1 1 19 ARG N N -1.946 3.017 -0.894 1.00 . A A . 19 ARG N 1 1 4 1745 1 1 19 ARG NE N -4.479 7.889 -2.653 1.00 . A A . 19 ARG NE 1 1 4 1746 1 1 19 ARG NH1 N -6.402 8.578 -1.587 1.00 . A A . 19 ARG NH1 1 1 4 1747 1 1 19 ARG NH2 N -4.811 10.048 -2.046 1.00 . A A . 19 ARG NH2 1 1 4 1748 1 1 19 ARG O O -4.968 2.469 -2.279 1.00 . A A . 19 ARG O 1 1 4 1749 1 1 19 ARG OXT O -4.641 1.697 -0.270 1.00 . A A . 19 ARG OXT 1 1 4 1750 2 2 1 DT C1' C 8.328 -0.332 -1.067 1.00 . B B . 20 DT C1' 1 1 4 1751 2 2 1 DT C2 C 7.614 -2.302 -2.396 1.00 . B B . 20 DT C2 1 1 4 1752 2 2 1 DT C2' C 7.078 0.481 -0.744 1.00 . B B . 20 DT C2' 1 1 4 1753 2 2 1 DT C3' C 7.685 1.798 -0.280 1.00 . B B . 20 DT C3' 1 1 4 1754 2 2 1 DT C4 C 7.643 -4.561 -1.463 1.00 . B B . 20 DT C4 1 1 4 1755 2 2 1 DT C4' C 9.032 1.350 0.321 1.00 . B B . 20 DT C4' 1 1 4 1756 2 2 1 DT C5 C 8.156 -3.983 -0.223 1.00 . B B . 20 DT C5 1 1 4 1757 2 2 1 DT C5' C 9.188 1.602 1.831 1.00 . B B . 20 DT C5' 1 1 4 1758 2 2 1 DT C6 C 8.326 -2.640 -0.111 1.00 . B B . 20 DT C6 1 1 4 1759 2 2 1 DT C7 C 8.534 -4.883 0.944 1.00 . B B . 20 DT C7 1 1 4 1760 2 2 1 DT H1' H 8.749 0.037 -2.005 1.00 . B B . 20 DT H1' 1 1 4 1761 2 2 1 DT H2' H 6.523 0.025 0.074 1.00 . B B . 20 DT H2' 1 1 4 1762 2 2 1 DT H2'' H 6.436 0.615 -1.617 1.00 . B B . 20 DT H2'' 1 1 4 1763 2 2 1 DT H3 H 6.946 -4.013 -3.301 1.00 . B B . 20 DT H3 1 1 4 1764 2 2 1 DT H3' H 7.042 2.276 0.462 1.00 . B B . 20 DT H3' 1 1 4 1765 2 2 1 DT H4' H 9.824 1.905 -0.179 1.00 . B B . 20 DT H4' 1 1 4 1766 2 2 1 DT H5' H 10.167 1.228 2.136 1.00 . B B . 20 DT H5' 1 1 4 1767 2 2 1 DT H5'' H 9.178 2.679 2.005 1.00 . B B . 20 DT H5'' 1 1 4 1768 2 2 1 DT H6 H 8.681 -2.222 0.820 1.00 . B B . 20 DT H6 1 1 4 1769 2 2 1 DT H71 H 8.968 -4.302 1.757 1.00 . B B . 20 DT H71 1 1 4 1770 2 2 1 DT H72 H 9.262 -5.623 0.608 1.00 . B B . 20 DT H72 1 1 4 1771 2 2 1 DT H73 H 7.657 -5.412 1.313 1.00 . B B . 20 DT H73 1 1 4 1772 2 2 1 DT HO5' H 7.764 1.665 3.189 1.00 . B B . 20 DT HO5' 1 1 4 1773 2 2 1 DT N1 N 8.065 -1.795 -1.170 1.00 . B B . 20 DT N1 1 1 4 1774 2 2 1 DT N3 N 7.362 -3.656 -2.459 1.00 . B B . 20 DT N3 1 1 4 1775 2 2 1 DT O2 O 7.481 -1.618 -3.410 1.00 . B B . 20 DT O2 1 1 4 1776 2 2 1 DT O3' O 7.889 2.641 -1.412 1.00 . B B . 20 DT O3' 1 1 4 1777 2 2 1 DT O4 O 7.450 -5.757 -1.677 1.00 . B B . 20 DT O4 1 1 4 1778 2 2 1 DT O4' O 9.212 -0.019 0.000 1.00 . B B . 20 DT O4' 1 1 4 1779 2 2 1 DT O5' O 8.181 0.987 2.626 1.00 . B B . 20 DT O5' 1 1 4 1780 2 2 2 DA C1' C 4.260 6.089 -3.103 1.00 . B B . 21 DA C1' 1 1 4 1781 2 2 2 DA C2 C 7.580 4.335 -5.494 1.00 . B B . 21 DA C2 1 1 4 1782 2 2 2 DA C2' C 3.542 6.268 -1.756 1.00 . B B . 21 DA C2' 1 1 4 1783 2 2 2 DA C3' C 4.658 6.645 -0.787 1.00 . B B . 21 DA C3' 1 1 4 1784 2 2 2 DA C4 C 5.810 4.289 -4.123 1.00 . B B . 21 DA C4 1 1 4 1785 2 2 2 DA C4' C 5.778 7.157 -1.698 1.00 . B B . 21 DA C4' 1 1 4 1786 2 2 2 DA C5 C 5.867 2.926 -3.978 1.00 . B B . 21 DA C5 1 1 4 1787 2 2 2 DA C5' C 7.129 6.469 -1.446 1.00 . B B . 21 DA C5' 1 1 4 1788 2 2 2 DA C6 C 6.964 2.318 -4.639 1.00 . B B . 21 DA C6 1 1 4 1789 2 2 2 DA C8 C 4.174 3.543 -2.861 1.00 . B B . 21 DA C8 1 1 4 1790 2 2 2 DA H1' H 3.578 6.345 -3.920 1.00 . B B . 21 DA H1' 1 1 4 1791 2 2 2 DA H2 H 8.263 4.878 -6.130 1.00 . B B . 21 DA H2 1 1 4 1792 2 2 2 DA H2' H 3.026 5.383 -1.397 1.00 . B B . 21 DA H2' 1 1 4 1793 2 2 2 DA H2'' H 2.798 7.045 -1.862 1.00 . B B . 21 DA H2'' 1 1 4 1794 2 2 2 DA H3' H 4.999 5.721 -0.325 1.00 . B B . 21 DA H3' 1 1 4 1795 2 2 2 DA H4' H 5.924 8.218 -1.498 1.00 . B B . 21 DA H4' 1 1 4 1796 2 2 2 DA H5' H 7.848 6.871 -2.146 1.00 . B B . 21 DA H5' 1 1 4 1797 2 2 2 DA H5'' H 7.457 6.726 -0.439 1.00 . B B . 21 DA H5'' 1 1 4 1798 2 2 2 DA H61 H 8.059 0.687 -5.120 1.00 . B B . 21 DA H61 1 1 4 1799 2 2 2 DA H62 H 6.725 0.401 -4.038 1.00 . B B . 21 DA H62 1 1 4 1800 2 2 2 DA H8 H 3.286 3.560 -2.231 1.00 . B B . 21 DA H8 1 1 4 1801 2 2 2 DA N1 N 7.799 3.030 -5.402 1.00 . B B . 21 DA N1 1 1 4 1802 2 2 2 DA N3 N 6.640 5.061 -4.896 1.00 . B B . 21 DA N3 1 1 4 1803 2 2 2 DA N6 N 7.241 1.029 -4.640 1.00 . B B . 21 DA N6 1 1 4 1804 2 2 2 DA N7 N 4.783 2.446 -3.232 1.00 . B B . 21 DA N7 1 1 4 1805 2 2 2 DA N9 N 4.742 4.699 -3.335 1.00 . B B . 21 DA N9 1 1 4 1806 2 2 2 DA O3' O 4.300 7.537 0.271 1.00 . B B . 21 DA O3' 1 1 4 1807 2 2 2 DA O4' O 5.328 7.028 -3.045 1.00 . B B . 21 DA O4' 1 1 4 1808 2 2 2 DA O5' O 7.100 5.055 -1.573 1.00 . B B . 21 DA O5' 1 1 4 1809 2 2 2 DA OP1 O 9.412 4.376 -2.310 1.00 . B B . 21 DA OP1 1 1 4 1810 2 2 2 DA OP2 O 8.731 4.409 0.141 1.00 . B B . 21 DA OP2 1 1 4 1811 2 2 2 DA P P 8.379 4.155 -1.269 1.00 . B B . 21 DA P 1 1 4 1812 2 2 3 DC C1' C -1.416 7.624 -0.326 1.00 . B B . 22 DC C1' 1 1 4 1813 2 2 3 DC C2 C -0.897 7.856 -2.794 1.00 . B B . 22 DC C2 1 1 4 1814 2 2 3 DC C2' C -0.926 7.049 1.025 1.00 . B B . 22 DC C2' 1 1 4 1815 2 2 3 DC C3' C -0.498 8.269 1.840 1.00 . B B . 22 DC C3' 1 1 4 1816 2 2 3 DC C4 C 0.485 6.397 -3.902 1.00 . B B . 22 DC C4 1 1 4 1817 2 2 3 DC C4' C -0.378 9.376 0.808 1.00 . B B . 22 DC C4' 1 1 4 1818 2 2 3 DC C5 C 0.505 5.516 -2.797 1.00 . B B . 22 DC C5 1 1 4 1819 2 2 3 DC C5' C 1.004 9.654 0.213 1.00 . B B . 22 DC C5' 1 1 4 1820 2 2 3 DC C6 C -0.099 5.935 -1.657 1.00 . B B . 22 DC C6 1 1 4 1821 2 2 3 DC H1' H -2.478 7.390 -0.445 1.00 . B B . 22 DC H1' 1 1 4 1822 2 2 3 DC H2' H -0.079 6.361 0.926 1.00 . B B . 22 DC H2' 1 1 4 1823 2 2 3 DC H2'' H -1.742 6.517 1.514 1.00 . B B . 22 DC H2'' 1 1 4 1824 2 2 3 DC H3' H 0.440 8.066 2.337 1.00 . B B . 22 DC H3' 1 1 4 1825 2 2 3 DC H4' H -0.711 10.294 1.275 1.00 . B B . 22 DC H4' 1 1 4 1826 2 2 3 DC H41 H 1.136 6.800 -5.743 1.00 . B B . 22 DC H41 1 1 4 1827 2 2 3 DC H42 H 1.564 5.216 -5.123 1.00 . B B . 22 DC H42 1 1 4 1828 2 2 3 DC H5 H 0.985 4.548 -2.841 1.00 . B B . 22 DC H5 1 1 4 1829 2 2 3 DC H5' H 0.881 9.932 -0.824 1.00 . B B . 22 DC H5' 1 1 4 1830 2 2 3 DC H5'' H 1.407 10.504 0.733 1.00 . B B . 22 DC H5'' 1 1 4 1831 2 2 3 DC H6 H -0.135 5.280 -0.805 1.00 . B B . 22 DC H6 1 1 4 1832 2 2 3 DC N1 N -0.713 7.164 -1.581 1.00 . B B . 22 DC N1 1 1 4 1833 2 2 3 DC N3 N -0.227 7.502 -3.922 1.00 . B B . 22 DC N3 1 1 4 1834 2 2 3 DC N4 N 1.108 6.112 -5.003 1.00 . B B . 22 DC N4 1 1 4 1835 2 2 3 DC O2 O -1.727 8.758 -2.911 1.00 . B B . 22 DC O2 1 1 4 1836 2 2 3 DC O3' O -1.495 8.645 2.775 1.00 . B B . 22 DC O3' 1 1 4 1837 2 2 3 DC O4' O -1.312 9.037 -0.199 1.00 . B B . 22 DC O4' 1 1 4 1838 2 2 3 DC O5' O 1.963 8.622 0.280 1.00 . B B . 22 DC O5' 1 1 4 1839 2 2 3 DC OP1 O 3.746 9.529 -1.235 1.00 . B B . 22 DC OP1 1 1 4 1840 2 2 3 DC OP2 O 3.913 9.752 1.284 1.00 . B B . 22 DC OP2 1 1 4 1841 2 2 3 DC P P 3.524 8.944 0.112 1.00 . B B . 22 DC P 1 1 4 1842 2 2 4 DG C1' C -0.259 3.628 4.572 1.00 . B B . 23 DG C1' 1 1 4 1843 2 2 4 DG C2 C 2.951 6.749 3.954 1.00 . B B . 23 DG C2 1 1 4 1844 2 2 4 DG C2' C -1.199 3.136 5.683 1.00 . B B . 23 DG C2' 1 1 4 1845 2 2 4 DG C3' C -2.118 4.318 5.992 1.00 . B B . 23 DG C3' 1 1 4 1846 2 2 4 DG C4 C 2.038 4.878 4.819 1.00 . B B . 23 DG C4 1 1 4 1847 2 2 4 DG C4' C -2.139 4.995 4.625 1.00 . B B . 23 DG C4' 1 1 4 1848 2 2 4 DG C5 C 3.208 4.543 5.473 1.00 . B B . 23 DG C5 1 1 4 1849 2 2 4 DG C5' C -2.407 6.495 4.601 1.00 . B B . 23 DG C5' 1 1 4 1850 2 2 4 DG C6 C 4.373 5.364 5.297 1.00 . B B . 23 DG C6 1 1 4 1851 2 2 4 DG C8 C 1.841 2.996 5.905 1.00 . B B . 23 DG C8 1 1 4 1852 2 2 4 DG H1 H 4.940 7.041 4.299 1.00 . B B . 23 DG H1 1 1 4 1853 2 2 4 DG H1' H -0.233 2.874 3.785 1.00 . B B . 23 DG H1' 1 1 4 1854 2 2 4 DG H2' H -0.676 2.834 6.586 1.00 . B B . 23 DG H2' 1 1 4 1855 2 2 4 DG H2'' H -1.747 2.261 5.321 1.00 . B B . 23 DG H2'' 1 1 4 1856 2 2 4 DG H21 H 3.717 8.374 3.037 1.00 . B B . 23 DG H21 1 1 4 1857 2 2 4 DG H22 H 2.066 7.947 2.681 1.00 . B B . 23 DG H22 1 1 4 1858 2 2 4 DG H3' H -1.651 4.980 6.719 1.00 . B B . 23 DG H3' 1 1 4 1859 2 2 4 DG H4' H -2.934 4.521 4.054 1.00 . B B . 23 DG H4' 1 1 4 1860 2 2 4 DG H5' H -2.814 6.727 3.620 1.00 . B B . 23 DG H5' 1 1 4 1861 2 2 4 DG H5'' H -3.152 6.759 5.334 1.00 . B B . 23 DG H5'' 1 1 4 1862 2 2 4 DG H8 H 1.427 2.069 6.269 1.00 . B B . 23 DG H8 1 1 4 1863 2 2 4 DG N1 N 4.139 6.483 4.541 1.00 . B B . 23 DG N1 1 1 4 1864 2 2 4 DG N2 N 2.880 7.847 3.256 1.00 . B B . 23 DG N2 1 1 4 1865 2 2 4 DG N3 N 1.868 5.983 4.027 1.00 . B B . 23 DG N3 1 1 4 1866 2 2 4 DG N7 N 3.063 3.354 6.175 1.00 . B B . 23 DG N7 1 1 4 1867 2 2 4 DG N9 N 1.133 3.857 5.097 1.00 . B B . 23 DG N9 1 1 4 1868 2 2 4 DG O3' O -3.364 3.808 6.465 1.00 . B B . 23 DG O3' 1 1 4 1869 2 2 4 DG O4' O -0.886 4.757 3.997 1.00 . B B . 23 DG O4' 1 1 4 1870 2 2 4 DG O5' O -1.239 7.267 4.828 1.00 . B B . 23 DG O5' 1 1 4 1871 2 2 4 DG O6 O 5.524 5.183 5.711 1.00 . B B . 23 DG O6 1 1 4 1872 2 2 4 DG OP1 O -2.309 9.474 4.982 1.00 . B B . 23 DG OP1 1 1 4 1873 2 2 4 DG OP2 O 0.183 9.296 4.514 1.00 . B B . 23 DG OP2 1 1 4 1874 2 2 4 DG P P -1.179 8.768 4.338 1.00 . B B . 23 DG P 1 1 4 1875 2 2 5 DC C1' C -6.200 4.706 1.587 1.00 . B B . 24 DC C1' 1 1 4 1876 2 2 5 DC C2 C -7.416 2.816 2.846 1.00 . B B . 24 DC C2 1 1 4 1877 2 2 5 DC C2' C -7.199 5.838 1.404 1.00 . B B . 24 DC C2' 1 1 4 1878 2 2 5 DC C3' C -7.450 6.301 2.839 1.00 . B B . 24 DC C3' 1 1 4 1879 2 2 5 DC C4 C -8.495 1.176 1.669 1.00 . B B . 24 DC C4 1 1 4 1880 2 2 5 DC C4' C -6.009 6.248 3.355 1.00 . B B . 24 DC C4' 1 1 4 1881 2 2 5 DC C5 C -8.097 1.719 0.430 1.00 . B B . 24 DC C5 1 1 4 1882 2 2 5 DC C5' C -5.851 6.204 4.892 1.00 . B B . 24 DC C5' 1 1 4 1883 2 2 5 DC C6 C -7.304 2.815 0.455 1.00 . B B . 24 DC C6 1 1 4 1884 2 2 5 DC H1' H -5.548 4.661 0.718 1.00 . B B . 24 DC H1' 1 1 4 1885 2 2 5 DC H2' H -8.092 5.484 0.906 1.00 . B B . 24 DC H2' 1 1 4 1886 2 2 5 DC H2'' H -6.749 6.648 0.828 1.00 . B B . 24 DC H2'' 1 1 4 1887 2 2 5 DC H3' H -8.062 5.577 3.387 1.00 . B B . 24 DC H3' 1 1 4 1888 2 2 5 DC H4' H -5.509 7.148 2.992 1.00 . B B . 24 DC H4' 1 1 4 1889 2 2 5 DC H41 H -9.552 -0.202 2.608 1.00 . B B . 24 DC H41 1 1 4 1890 2 2 5 DC H42 H -9.584 -0.277 0.846 1.00 . B B . 24 DC H42 1 1 4 1891 2 2 5 DC H5 H -8.394 1.280 -0.507 1.00 . B B . 24 DC H5 1 1 4 1892 2 2 5 DC H5' H -5.230 7.052 5.190 1.00 . B B . 24 DC H5' 1 1 4 1893 2 2 5 DC H5'' H -6.826 6.333 5.363 1.00 . B B . 24 DC H5'' 1 1 4 1894 2 2 5 DC H6 H -6.952 3.243 -0.477 1.00 . B B . 24 DC H6 1 1 4 1895 2 2 5 DC N1 N -6.937 3.392 1.649 1.00 . B B . 24 DC N1 1 1 4 1896 2 2 5 DC N3 N -8.206 1.714 2.830 1.00 . B B . 24 DC N3 1 1 4 1897 2 2 5 DC N4 N -9.371 0.221 1.708 1.00 . B B . 24 DC N4 1 1 4 1898 2 2 5 DC O2 O -7.207 3.276 3.964 1.00 . B B . 24 DC O2 1 1 4 1899 2 2 5 DC O3' O -8.025 7.599 2.840 1.00 . B B . 24 DC O3' 1 1 4 1900 2 2 5 DC O4' O -5.422 5.120 2.704 1.00 . B B . 24 DC O4' 1 1 4 1901 2 2 5 DC O5' O -5.252 4.977 5.319 1.00 . B B . 24 DC O5' 1 1 4 1902 2 2 5 DC OP1 O -4.204 5.996 7.365 1.00 . B B . 24 DC OP1 1 1 4 1903 2 2 5 DC OP2 O -5.638 3.896 7.490 1.00 . B B . 24 DC OP2 1 1 4 1904 2 2 5 DC P P -4.640 4.716 6.767 1.00 . B B . 24 DC P 1 1 4 1905 2 2 6 DC C1' C -12.158 4.294 -0.591 1.00 . B B . 25 DC C1' 1 1 4 1906 2 2 6 DC C2 C -12.486 3.750 -3.014 1.00 . B B . 25 DC C2 1 1 4 1907 2 2 6 DC C2' C -10.889 3.574 -0.133 1.00 . B B . 25 DC C2' 1 1 4 1908 2 2 6 DC C3' C -10.891 3.788 1.384 1.00 . B B . 25 DC C3' 1 1 4 1909 2 2 6 DC C4 C -12.119 5.293 -4.671 1.00 . B B . 25 DC C4 1 1 4 1910 2 2 6 DC C4' C -11.910 4.920 1.574 1.00 . B B . 25 DC C4' 1 1 4 1911 2 2 6 DC C5 C -11.769 6.300 -3.732 1.00 . B B . 25 DC C5 1 1 4 1912 2 2 6 DC C5' C -11.472 6.020 2.551 1.00 . B B . 25 DC C5' 1 1 4 1913 2 2 6 DC C6 C -11.794 5.965 -2.418 1.00 . B B . 25 DC C6 1 1 4 1914 2 2 6 DC H1' H -13.029 3.652 -0.409 1.00 . B B . 25 DC H1' 1 1 4 1915 2 2 6 DC H2' H -10.013 4.055 -0.571 1.00 . B B . 25 DC H2' 1 1 4 1916 2 2 6 DC H2'' H -10.916 2.519 -0.406 1.00 . B B . 25 DC H2'' 1 1 4 1917 2 2 6 DC H3' H -9.903 4.098 1.724 1.00 . B B . 25 DC H3' 1 1 4 1918 2 2 6 DC H4' H -12.827 4.479 1.967 1.00 . B B . 25 DC H4' 1 1 4 1919 2 2 6 DC H41 H -12.397 4.845 -6.592 1.00 . B B . 25 DC H41 1 1 4 1920 2 2 6 DC H42 H -11.808 6.484 -6.230 1.00 . B B . 25 DC H42 1 1 4 1921 2 2 6 DC H5 H -11.511 7.306 -4.030 1.00 . B B . 25 DC H5 1 1 4 1922 2 2 6 DC H5' H -12.273 6.751 2.645 1.00 . B B . 25 DC H5' 1 1 4 1923 2 2 6 DC H5'' H -11.321 5.554 3.525 1.00 . B B . 25 DC H5'' 1 1 4 1924 2 2 6 DC H6 H -11.559 6.705 -1.663 1.00 . B B . 25 DC H6 1 1 4 1925 2 2 6 DC HO3' H -10.661 1.900 1.894 1.00 . B B . 25 DC HO3' 1 1 4 1926 2 2 6 DC N1 N -12.132 4.690 -2.034 1.00 . B B . 25 DC N1 1 1 4 1927 2 2 6 DC N3 N -12.452 4.062 -4.338 1.00 . B B . 25 DC N3 1 1 4 1928 2 2 6 DC N4 N -12.100 5.560 -5.945 1.00 . B B . 25 DC N4 1 1 4 1929 2 2 6 DC O2 O -12.834 2.603 -2.718 1.00 . B B . 25 DC O2 1 1 4 1930 2 2 6 DC O3' O -11.313 2.606 2.057 1.00 . B B . 25 DC O3' 1 1 4 1931 2 2 6 DC O4' O -12.206 5.409 0.280 1.00 . B B . 25 DC O4' 1 1 4 1932 2 2 6 DC O5' O -10.272 6.684 2.169 1.00 . B B . 25 DC O5' 1 1 4 1933 2 2 6 DC OP1 O -9.999 9.114 2.599 1.00 . B B . 25 DC OP1 1 1 4 1934 2 2 6 DC OP2 O -9.845 7.445 4.531 1.00 . B B . 25 DC OP2 1 1 4 1935 2 2 6 DC P P -9.583 7.787 3.111 1.00 . B B . 25 DC P 1 1 4 1936 3 3 1 ZN ZN ZN 0.467 -3.858 -0.293 1.00 . C A . 26 ZN ZN 1 1 5 1937 1 1 1 LYS C C -4.874 -11.244 4.098 1.00 . A A . 1 LYS C 1 1 5 1938 1 1 1 LYS CA C -6.105 -11.486 4.971 1.00 . A A . 1 LYS CA 1 1 5 1939 1 1 1 LYS CB C -6.949 -12.710 4.547 1.00 . A A . 1 LYS CB 1 1 5 1940 1 1 1 LYS CD C -6.887 -15.291 4.307 1.00 . A A . 1 LYS CD 1 1 5 1941 1 1 1 LYS CE C -8.135 -15.798 5.051 1.00 . A A . 1 LYS CE 1 1 5 1942 1 1 1 LYS CG C -6.215 -14.024 4.861 1.00 . A A . 1 LYS CG 1 1 5 1943 1 1 1 LYS H1 H -6.955 -9.820 4.082 1.00 . A A . 1 LYS H1 1 1 5 1944 1 1 1 LYS H2 H -6.490 -9.573 5.628 1.00 . A A . 1 LYS H2 1 1 5 1945 1 1 1 LYS H3 H -7.858 -10.434 5.317 1.00 . A A . 1 LYS H3 1 1 5 1946 1 1 1 LYS HA H -5.755 -11.676 5.986 1.00 . A A . 1 LYS HA 1 1 5 1947 1 1 1 LYS HB2 H -7.888 -12.700 5.104 1.00 . A A . 1 LYS HB2 1 1 5 1948 1 1 1 LYS HB3 H -7.180 -12.655 3.482 1.00 . A A . 1 LYS HB3 1 1 5 1949 1 1 1 LYS HD2 H -7.114 -15.161 3.247 1.00 . A A . 1 LYS HD2 1 1 5 1950 1 1 1 LYS HD3 H -6.146 -16.089 4.372 1.00 . A A . 1 LYS HD3 1 1 5 1951 1 1 1 LYS HE2 H -8.271 -16.846 4.773 1.00 . A A . 1 LYS HE2 1 1 5 1952 1 1 1 LYS HE3 H -7.954 -15.773 6.131 1.00 . A A . 1 LYS HE3 1 1 5 1953 1 1 1 LYS HG2 H -5.217 -13.973 4.429 1.00 . A A . 1 LYS HG2 1 1 5 1954 1 1 1 LYS HG3 H -6.103 -14.122 5.943 1.00 . A A . 1 LYS HG3 1 1 5 1955 1 1 1 LYS HZ1 H -9.364 -14.665 3.786 1.00 . A A . 1 LYS HZ1 1 1 5 1956 1 1 1 LYS HZ2 H -9.592 -14.350 5.406 1.00 . A A . 1 LYS HZ2 1 1 5 1957 1 1 1 LYS HZ3 H -10.169 -15.711 4.750 1.00 . A A . 1 LYS HZ3 1 1 5 1958 1 1 1 LYS N N -6.911 -10.251 4.999 1.00 . A A . 1 LYS N 1 1 5 1959 1 1 1 LYS NZ N -9.378 -15.066 4.720 1.00 . A A . 1 LYS NZ 1 1 5 1960 1 1 1 LYS O O -4.890 -11.509 2.893 1.00 . A A . 1 LYS O 1 1 5 1961 1 1 2 GLY C C -2.333 -8.817 3.973 1.00 . A A . 2 GLY C 1 1 5 1962 1 1 2 GLY CA C -2.570 -10.326 4.016 1.00 . A A . 2 GLY CA 1 1 5 1963 1 1 2 GLY H H -3.897 -10.484 5.680 1.00 . A A . 2 GLY H 1 1 5 1964 1 1 2 GLY HA2 H -1.739 -10.785 4.549 1.00 . A A . 2 GLY HA2 1 1 5 1965 1 1 2 GLY HA3 H -2.575 -10.714 3.001 1.00 . A A . 2 GLY HA3 1 1 5 1966 1 1 2 GLY N N -3.817 -10.691 4.689 1.00 . A A . 2 GLY N 1 1 5 1967 1 1 2 GLY O O -2.572 -8.138 4.972 1.00 . A A . 2 GLY O 1 1 5 1968 1 1 3 CYS C C -2.993 -6.117 2.832 1.00 . A A . 3 CYS C 1 1 5 1969 1 1 3 CYS CA C -1.685 -6.878 2.573 1.00 . A A . 3 CYS CA 1 1 5 1970 1 1 3 CYS CB C -1.237 -6.664 1.118 1.00 . A A . 3 CYS CB 1 1 5 1971 1 1 3 CYS H H -1.632 -8.944 2.077 1.00 . A A . 3 CYS H 1 1 5 1972 1 1 3 CYS HA H -0.906 -6.508 3.242 1.00 . A A . 3 CYS HA 1 1 5 1973 1 1 3 CYS HB2 H -0.811 -7.594 0.748 1.00 . A A . 3 CYS HB2 1 1 5 1974 1 1 3 CYS HB3 H -2.120 -6.444 0.524 1.00 . A A . 3 CYS HB3 1 1 5 1975 1 1 3 CYS N N -1.865 -8.310 2.822 1.00 . A A . 3 CYS N 1 1 5 1976 1 1 3 CYS O O -4.073 -6.592 2.474 1.00 . A A . 3 CYS O 1 1 5 1977 1 1 3 CYS SG S -0.048 -5.299 0.903 1.00 . A A . 3 CYS SG 1 1 5 1978 1 1 4 TRP C C -4.868 -3.692 2.503 1.00 . A A . 4 TRP C 1 1 5 1979 1 1 4 TRP CA C -3.970 -4.006 3.708 1.00 . A A . 4 TRP CA 1 1 5 1980 1 1 4 TRP CB C -3.317 -2.730 4.239 1.00 . A A . 4 TRP CB 1 1 5 1981 1 1 4 TRP CD1 C -5.290 -1.113 4.290 1.00 . A A . 4 TRP CD1 1 1 5 1982 1 1 4 TRP CD2 C -3.391 -0.251 3.464 1.00 . A A . 4 TRP CD2 1 1 5 1983 1 1 4 TRP CE2 C -4.350 0.794 3.472 1.00 . A A . 4 TRP CE2 1 1 5 1984 1 1 4 TRP CE3 C -2.094 0.042 2.997 1.00 . A A . 4 TRP CE3 1 1 5 1985 1 1 4 TRP CG C -4.006 -1.437 4.018 1.00 . A A . 4 TRP CG 1 1 5 1986 1 1 4 TRP CH2 C -2.732 2.356 2.574 1.00 . A A . 4 TRP CH2 1 1 5 1987 1 1 4 TRP CZ2 C -4.014 2.087 3.078 1.00 . A A . 4 TRP CZ2 1 1 5 1988 1 1 4 TRP CZ3 C -1.779 1.326 2.537 1.00 . A A . 4 TRP CZ3 1 1 5 1989 1 1 4 TRP H H -1.931 -4.631 3.609 1.00 . A A . 4 TRP H 1 1 5 1990 1 1 4 TRP HA H -4.607 -4.434 4.482 1.00 . A A . 4 TRP HA 1 1 5 1991 1 1 4 TRP HB2 H -3.127 -2.813 5.296 1.00 . A A . 4 TRP HB2 1 1 5 1992 1 1 4 TRP HB3 H -2.338 -2.632 3.770 1.00 . A A . 4 TRP HB3 1 1 5 1993 1 1 4 TRP HD1 H -6.031 -1.786 4.703 1.00 . A A . 4 TRP HD1 1 1 5 1994 1 1 4 TRP HE1 H -6.426 0.644 3.930 1.00 . A A . 4 TRP HE1 1 1 5 1995 1 1 4 TRP HE3 H -1.339 -0.726 2.976 1.00 . A A . 4 TRP HE3 1 1 5 1996 1 1 4 TRP HH2 H -2.481 3.348 2.232 1.00 . A A . 4 TRP HH2 1 1 5 1997 1 1 4 TRP HZ2 H -4.748 2.859 3.163 1.00 . A A . 4 TRP HZ2 1 1 5 1998 1 1 4 TRP HZ3 H -0.789 1.513 2.180 1.00 . A A . 4 TRP HZ3 1 1 5 1999 1 1 4 TRP N N -2.870 -4.919 3.390 1.00 . A A . 4 TRP N 1 1 5 2000 1 1 4 TRP NE1 N -5.510 0.203 3.923 1.00 . A A . 4 TRP NE1 1 1 5 2001 1 1 4 TRP O O -6.092 -3.794 2.603 1.00 . A A . 4 TRP O 1 1 5 2002 1 1 5 LYS C C -4.815 -3.892 -1.002 1.00 . A A . 5 LYS C 1 1 5 2003 1 1 5 LYS CA C -4.967 -2.897 0.149 1.00 . A A . 5 LYS CA 1 1 5 2004 1 1 5 LYS CB C -4.569 -1.456 -0.240 1.00 . A A . 5 LYS CB 1 1 5 2005 1 1 5 LYS CD C -3.160 -1.492 -2.437 1.00 . A A . 5 LYS CD 1 1 5 2006 1 1 5 LYS CE C -3.632 -0.272 -3.233 1.00 . A A . 5 LYS CE 1 1 5 2007 1 1 5 LYS CG C -3.193 -1.277 -0.906 1.00 . A A . 5 LYS CG 1 1 5 2008 1 1 5 LYS H H -3.262 -3.157 1.414 1.00 . A A . 5 LYS H 1 1 5 2009 1 1 5 LYS HA H -6.035 -2.869 0.366 1.00 . A A . 5 LYS HA 1 1 5 2010 1 1 5 LYS HB2 H -5.326 -1.041 -0.897 1.00 . A A . 5 LYS HB2 1 1 5 2011 1 1 5 LYS HB3 H -4.583 -0.853 0.669 1.00 . A A . 5 LYS HB3 1 1 5 2012 1 1 5 LYS HD2 H -2.133 -1.677 -2.742 1.00 . A A . 5 LYS HD2 1 1 5 2013 1 1 5 LYS HD3 H -3.722 -2.372 -2.728 1.00 . A A . 5 LYS HD3 1 1 5 2014 1 1 5 LYS HE2 H -3.969 0.502 -2.543 1.00 . A A . 5 LYS HE2 1 1 5 2015 1 1 5 LYS HE3 H -2.776 0.130 -3.780 1.00 . A A . 5 LYS HE3 1 1 5 2016 1 1 5 LYS HG2 H -2.836 -0.269 -0.697 1.00 . A A . 5 LYS HG2 1 1 5 2017 1 1 5 LYS HG3 H -2.490 -1.962 -0.432 1.00 . A A . 5 LYS HG3 1 1 5 2018 1 1 5 LYS HZ1 H -4.578 -1.488 -4.658 1.00 . A A . 5 LYS HZ1 1 1 5 2019 1 1 5 LYS HZ2 H -4.730 0.113 -4.926 1.00 . A A . 5 LYS HZ2 1 1 5 2020 1 1 5 LYS HZ3 H -5.622 -0.575 -3.739 1.00 . A A . 5 LYS HZ3 1 1 5 2021 1 1 5 LYS N N -4.259 -3.295 1.377 1.00 . A A . 5 LYS N 1 1 5 2022 1 1 5 LYS NZ N -4.712 -0.595 -4.194 1.00 . A A . 5 LYS NZ 1 1 5 2023 1 1 5 LYS O O -5.647 -3.873 -1.910 1.00 . A A . 5 LYS O 1 1 5 2024 1 1 6 CYS C C -3.964 -6.968 -2.052 1.00 . A A . 6 CYS C 1 1 5 2025 1 1 6 CYS CA C -3.369 -5.553 -2.119 1.00 . A A . 6 CYS CA 1 1 5 2026 1 1 6 CYS CB C -1.837 -5.617 -2.191 1.00 . A A . 6 CYS CB 1 1 5 2027 1 1 6 CYS H H -3.063 -4.558 -0.286 1.00 . A A . 6 CYS H 1 1 5 2028 1 1 6 CYS HA H -3.724 -5.083 -3.040 1.00 . A A . 6 CYS HA 1 1 5 2029 1 1 6 CYS HB2 H -1.468 -6.390 -1.513 1.00 . A A . 6 CYS HB2 1 1 5 2030 1 1 6 CYS HB3 H -1.568 -5.910 -3.205 1.00 . A A . 6 CYS HB3 1 1 5 2031 1 1 6 CYS N N -3.768 -4.719 -0.987 1.00 . A A . 6 CYS N 1 1 5 2032 1 1 6 CYS O O -4.340 -7.526 -3.077 1.00 . A A . 6 CYS O 1 1 5 2033 1 1 6 CYS SG S -1.082 -4.029 -1.779 1.00 . A A . 6 CYS SG 1 1 5 2034 1 1 7 GLY C C -3.845 -10.075 -0.910 1.00 . A A . 7 GLY C 1 1 5 2035 1 1 7 GLY CA C -4.679 -8.838 -0.593 1.00 . A A . 7 GLY CA 1 1 5 2036 1 1 7 GLY H H -3.696 -7.019 -0.071 1.00 . A A . 7 GLY H 1 1 5 2037 1 1 7 GLY HA2 H -4.954 -8.873 0.458 1.00 . A A . 7 GLY HA2 1 1 5 2038 1 1 7 GLY HA3 H -5.570 -8.880 -1.210 1.00 . A A . 7 GLY HA3 1 1 5 2039 1 1 7 GLY N N -4.020 -7.557 -0.855 1.00 . A A . 7 GLY N 1 1 5 2040 1 1 7 GLY O O -4.370 -11.028 -1.492 1.00 . A A . 7 GLY O 1 1 5 2041 1 1 8 LYS C C -0.523 -11.548 -0.130 1.00 . A A . 8 LYS C 1 1 5 2042 1 1 8 LYS CA C -1.548 -11.005 -1.137 1.00 . A A . 8 LYS CA 1 1 5 2043 1 1 8 LYS CB C -0.807 -10.383 -2.327 1.00 . A A . 8 LYS CB 1 1 5 2044 1 1 8 LYS CD C -0.953 -9.228 -4.626 1.00 . A A . 8 LYS CD 1 1 5 2045 1 1 8 LYS CE C -0.181 -7.901 -4.546 1.00 . A A . 8 LYS CE 1 1 5 2046 1 1 8 LYS CG C -1.696 -9.674 -3.363 1.00 . A A . 8 LYS CG 1 1 5 2047 1 1 8 LYS H H -2.193 -9.171 -0.223 1.00 . A A . 8 LYS H 1 1 5 2048 1 1 8 LYS HA H -2.087 -11.883 -1.491 1.00 . A A . 8 LYS HA 1 1 5 2049 1 1 8 LYS HB2 H -0.092 -9.678 -1.916 1.00 . A A . 8 LYS HB2 1 1 5 2050 1 1 8 LYS HB3 H -0.261 -11.179 -2.830 1.00 . A A . 8 LYS HB3 1 1 5 2051 1 1 8 LYS HD2 H -0.279 -10.024 -4.945 1.00 . A A . 8 LYS HD2 1 1 5 2052 1 1 8 LYS HD3 H -1.708 -9.099 -5.401 1.00 . A A . 8 LYS HD3 1 1 5 2053 1 1 8 LYS HE2 H 0.424 -7.806 -5.453 1.00 . A A . 8 LYS HE2 1 1 5 2054 1 1 8 LYS HE3 H -0.903 -7.082 -4.556 1.00 . A A . 8 LYS HE3 1 1 5 2055 1 1 8 LYS HG2 H -2.487 -10.363 -3.661 1.00 . A A . 8 LYS HG2 1 1 5 2056 1 1 8 LYS HG3 H -2.147 -8.797 -2.912 1.00 . A A . 8 LYS HG3 1 1 5 2057 1 1 8 LYS HZ1 H 0.166 -7.835 -2.490 1.00 . A A . 8 LYS HZ1 1 1 5 2058 1 1 8 LYS HZ2 H 1.230 -6.929 -3.361 1.00 . A A . 8 LYS HZ2 1 1 5 2059 1 1 8 LYS HZ3 H 1.356 -8.569 -3.333 1.00 . A A . 8 LYS HZ3 1 1 5 2060 1 1 8 LYS N N -2.534 -10.035 -0.611 1.00 . A A . 8 LYS N 1 1 5 2061 1 1 8 LYS NZ N 0.691 -7.793 -3.356 1.00 . A A . 8 LYS NZ 1 1 5 2062 1 1 8 LYS O O 0.436 -12.209 -0.519 1.00 . A A . 8 LYS O 1 1 5 2063 1 1 9 GLU C C 1.677 -11.282 2.096 1.00 . A A . 9 GLU C 1 1 5 2064 1 1 9 GLU CA C 0.185 -11.679 2.253 1.00 . A A . 9 GLU CA 1 1 5 2065 1 1 9 GLU CB C 0.005 -13.171 2.577 1.00 . A A . 9 GLU CB 1 1 5 2066 1 1 9 GLU CD C -1.480 -15.113 3.058 1.00 . A A . 9 GLU CD 1 1 5 2067 1 1 9 GLU CG C -1.433 -13.592 2.901 1.00 . A A . 9 GLU CG 1 1 5 2068 1 1 9 GLU H H -1.596 -10.853 1.387 1.00 . A A . 9 GLU H 1 1 5 2069 1 1 9 GLU HA H -0.150 -11.159 3.141 1.00 . A A . 9 GLU HA 1 1 5 2070 1 1 9 GLU HB2 H 0.366 -13.759 1.740 1.00 . A A . 9 GLU HB2 1 1 5 2071 1 1 9 GLU HB3 H 0.614 -13.410 3.450 1.00 . A A . 9 GLU HB3 1 1 5 2072 1 1 9 GLU HG2 H -1.751 -13.107 3.825 1.00 . A A . 9 GLU HG2 1 1 5 2073 1 1 9 GLU HG3 H -2.108 -13.287 2.097 1.00 . A A . 9 GLU HG3 1 1 5 2074 1 1 9 GLU N N -0.712 -11.266 1.154 1.00 . A A . 9 GLU N 1 1 5 2075 1 1 9 GLU O O 2.560 -11.948 2.641 1.00 . A A . 9 GLU O 1 1 5 2076 1 1 9 GLU OE1 O -1.206 -15.621 4.174 1.00 . A A . 9 GLU OE1 1 1 5 2077 1 1 9 GLU OE2 O -1.727 -15.803 2.039 1.00 . A A . 9 GLU OE2 1 1 5 2078 1 1 10 GLY C C 4.040 -9.084 2.185 1.00 . A A . 10 GLY C 1 1 5 2079 1 1 10 GLY CA C 3.378 -9.847 1.042 1.00 . A A . 10 GLY CA 1 1 5 2080 1 1 10 GLY H H 1.265 -9.642 0.964 1.00 . A A . 10 GLY H 1 1 5 2081 1 1 10 GLY HA2 H 3.962 -10.740 0.824 1.00 . A A . 10 GLY HA2 1 1 5 2082 1 1 10 GLY HA3 H 3.388 -9.215 0.157 1.00 . A A . 10 GLY HA3 1 1 5 2083 1 1 10 GLY N N 1.996 -10.224 1.342 1.00 . A A . 10 GLY N 1 1 5 2084 1 1 10 GLY O O 5.198 -9.348 2.510 1.00 . A A . 10 GLY O 1 1 5 2085 1 1 11 HIS C C 2.565 -6.654 4.668 1.00 . A A . 11 HIS C 1 1 5 2086 1 1 11 HIS CA C 3.741 -7.391 3.984 1.00 . A A . 11 HIS CA 1 1 5 2087 1 1 11 HIS CB C 4.804 -6.384 3.502 1.00 . A A . 11 HIS CB 1 1 5 2088 1 1 11 HIS CD2 C 3.265 -4.948 2.037 1.00 . A A . 11 HIS CD2 1 1 5 2089 1 1 11 HIS CE1 C 4.478 -4.798 0.229 1.00 . A A . 11 HIS CE1 1 1 5 2090 1 1 11 HIS CG C 4.417 -5.647 2.248 1.00 . A A . 11 HIS CG 1 1 5 2091 1 1 11 HIS H H 2.342 -8.051 2.532 1.00 . A A . 11 HIS H 1 1 5 2092 1 1 11 HIS HA H 4.185 -8.064 4.711 1.00 . A A . 11 HIS HA 1 1 5 2093 1 1 11 HIS HB2 H 5.009 -5.660 4.284 1.00 . A A . 11 HIS HB2 1 1 5 2094 1 1 11 HIS HB3 H 5.737 -6.909 3.323 1.00 . A A . 11 HIS HB3 1 1 5 2095 1 1 11 HIS HD1 H 6.114 -5.875 0.958 1.00 . A A . 11 HIS HD1 1 1 5 2096 1 1 11 HIS HD2 H 2.485 -4.732 2.756 1.00 . A A . 11 HIS HD2 1 1 5 2097 1 1 11 HIS HE1 H 4.826 -4.438 -0.726 1.00 . A A . 11 HIS HE1 1 1 5 2098 1 1 11 HIS N N 3.293 -8.188 2.837 1.00 . A A . 11 HIS N 1 1 5 2099 1 1 11 HIS ND1 N 5.168 -5.545 1.099 1.00 . A A . 11 HIS ND1 1 1 5 2100 1 1 11 HIS NE2 N 3.295 -4.464 0.736 1.00 . A A . 11 HIS NE2 1 1 5 2101 1 1 11 HIS O O 1.401 -6.946 4.407 1.00 . A A . 11 HIS O 1 1 5 2102 1 1 12 GLN C C 2.091 -3.325 5.685 1.00 . A A . 12 GLN C 1 1 5 2103 1 1 12 GLN CA C 1.907 -4.763 6.162 1.00 . A A . 12 GLN CA 1 1 5 2104 1 1 12 GLN CB C 2.026 -4.919 7.690 1.00 . A A . 12 GLN CB 1 1 5 2105 1 1 12 GLN CD C -0.279 -5.876 8.110 1.00 . A A . 12 GLN CD 1 1 5 2106 1 1 12 GLN CG C 0.695 -4.755 8.433 1.00 . A A . 12 GLN CG 1 1 5 2107 1 1 12 GLN H H 3.846 -5.509 5.718 1.00 . A A . 12 GLN H 1 1 5 2108 1 1 12 GLN HA H 0.896 -4.995 5.845 1.00 . A A . 12 GLN HA 1 1 5 2109 1 1 12 GLN HB2 H 2.417 -5.907 7.930 1.00 . A A . 12 GLN HB2 1 1 5 2110 1 1 12 GLN HB3 H 2.745 -4.196 8.066 1.00 . A A . 12 GLN HB3 1 1 5 2111 1 1 12 GLN HE21 H 0.814 -7.233 9.125 1.00 . A A . 12 GLN HE21 1 1 5 2112 1 1 12 GLN HE22 H -0.614 -7.842 8.287 1.00 . A A . 12 GLN HE22 1 1 5 2113 1 1 12 GLN HG2 H 0.895 -4.778 9.498 1.00 . A A . 12 GLN HG2 1 1 5 2114 1 1 12 GLN HG3 H 0.234 -3.794 8.207 1.00 . A A . 12 GLN HG3 1 1 5 2115 1 1 12 GLN N N 2.861 -5.681 5.533 1.00 . A A . 12 GLN N 1 1 5 2116 1 1 12 GLN NE2 N 0.004 -7.083 8.541 1.00 . A A . 12 GLN NE2 1 1 5 2117 1 1 12 GLN O O 2.963 -3.025 4.876 1.00 . A A . 12 GLN O 1 1 5 2118 1 1 12 GLN OE1 O -1.308 -5.672 7.471 1.00 . A A . 12 GLN OE1 1 1 5 2119 1 1 13 MET C C 2.317 -0.246 5.566 1.00 . A A . 13 MET C 1 1 5 2120 1 1 13 MET CA C 1.044 -1.084 5.608 1.00 . A A . 13 MET CA 1 1 5 2121 1 1 13 MET CB C -0.064 -0.384 6.387 1.00 . A A . 13 MET CB 1 1 5 2122 1 1 13 MET CE C -2.825 0.063 8.394 1.00 . A A . 13 MET CE 1 1 5 2123 1 1 13 MET CG C -1.364 -1.179 6.401 1.00 . A A . 13 MET CG 1 1 5 2124 1 1 13 MET H H 0.575 -2.727 6.858 1.00 . A A . 13 MET H 1 1 5 2125 1 1 13 MET HA H 0.699 -1.139 4.586 1.00 . A A . 13 MET HA 1 1 5 2126 1 1 13 MET HB2 H 0.267 -0.194 7.405 1.00 . A A . 13 MET HB2 1 1 5 2127 1 1 13 MET HB3 H -0.262 0.537 5.858 1.00 . A A . 13 MET HB3 1 1 5 2128 1 1 13 MET HE1 H -3.525 -0.050 9.225 1.00 . A A . 13 MET HE1 1 1 5 2129 1 1 13 MET HE2 H -2.047 0.775 8.677 1.00 . A A . 13 MET HE2 1 1 5 2130 1 1 13 MET HE3 H -3.363 0.442 7.524 1.00 . A A . 13 MET HE3 1 1 5 2131 1 1 13 MET HG2 H -2.095 -0.655 5.805 1.00 . A A . 13 MET HG2 1 1 5 2132 1 1 13 MET HG3 H -1.204 -2.106 5.875 1.00 . A A . 13 MET HG3 1 1 5 2133 1 1 13 MET N N 1.238 -2.422 6.165 1.00 . A A . 13 MET N 1 1 5 2134 1 1 13 MET O O 2.486 0.523 4.626 1.00 . A A . 13 MET O 1 1 5 2135 1 1 13 MET SD S -2.086 -1.554 8.016 1.00 . A A . 13 MET SD 1 1 5 2136 1 1 14 LYS C C 5.512 -0.233 5.550 1.00 . A A . 14 LYS C 1 1 5 2137 1 1 14 LYS CA C 4.527 0.202 6.639 1.00 . A A . 14 LYS CA 1 1 5 2138 1 1 14 LYS CB C 5.091 -0.135 8.021 1.00 . A A . 14 LYS CB 1 1 5 2139 1 1 14 LYS CD C 4.421 -0.006 10.460 1.00 . A A . 14 LYS CD 1 1 5 2140 1 1 14 LYS CE C 3.235 -0.977 10.570 1.00 . A A . 14 LYS CE 1 1 5 2141 1 1 14 LYS CG C 4.477 0.746 9.121 1.00 . A A . 14 LYS CG 1 1 5 2142 1 1 14 LYS H H 2.977 -1.126 7.237 1.00 . A A . 14 LYS H 1 1 5 2143 1 1 14 LYS HA H 4.416 1.282 6.541 1.00 . A A . 14 LYS HA 1 1 5 2144 1 1 14 LYS HB2 H 4.886 -1.181 8.236 1.00 . A A . 14 LYS HB2 1 1 5 2145 1 1 14 LYS HB3 H 6.176 -0.015 8.020 1.00 . A A . 14 LYS HB3 1 1 5 2146 1 1 14 LYS HD2 H 5.347 -0.577 10.570 1.00 . A A . 14 LYS HD2 1 1 5 2147 1 1 14 LYS HD3 H 4.369 0.716 11.277 1.00 . A A . 14 LYS HD3 1 1 5 2148 1 1 14 LYS HE2 H 3.237 -1.658 9.716 1.00 . A A . 14 LYS HE2 1 1 5 2149 1 1 14 LYS HE3 H 3.375 -1.587 11.470 1.00 . A A . 14 LYS HE3 1 1 5 2150 1 1 14 LYS HG2 H 5.092 1.638 9.237 1.00 . A A . 14 LYS HG2 1 1 5 2151 1 1 14 LYS HG3 H 3.469 1.066 8.850 1.00 . A A . 14 LYS HG3 1 1 5 2152 1 1 14 LYS HZ1 H 1.705 0.298 9.865 1.00 . A A . 14 LYS HZ1 1 1 5 2153 1 1 14 LYS HZ2 H 1.935 0.374 11.457 1.00 . A A . 14 LYS HZ2 1 1 5 2154 1 1 14 LYS HZ3 H 1.163 -0.930 10.828 1.00 . A A . 14 LYS HZ3 1 1 5 2155 1 1 14 LYS N N 3.208 -0.437 6.541 1.00 . A A . 14 LYS N 1 1 5 2156 1 1 14 LYS NZ N 1.932 -0.276 10.674 1.00 . A A . 14 LYS NZ 1 1 5 2157 1 1 14 LYS O O 6.454 0.499 5.244 1.00 . A A . 14 LYS O 1 1 5 2158 1 1 15 ASP C C 5.248 -1.763 2.484 1.00 . A A . 15 ASP C 1 1 5 2159 1 1 15 ASP CA C 6.034 -1.925 3.812 1.00 . A A . 15 ASP CA 1 1 5 2160 1 1 15 ASP CB C 6.443 -3.379 4.106 1.00 . A A . 15 ASP CB 1 1 5 2161 1 1 15 ASP CG C 7.897 -3.571 4.557 1.00 . A A . 15 ASP CG 1 1 5 2162 1 1 15 ASP H H 4.516 -1.972 5.312 1.00 . A A . 15 ASP H 1 1 5 2163 1 1 15 ASP HA H 6.954 -1.363 3.687 1.00 . A A . 15 ASP HA 1 1 5 2164 1 1 15 ASP HB2 H 5.798 -3.761 4.898 1.00 . A A . 15 ASP HB2 1 1 5 2165 1 1 15 ASP HB3 H 6.295 -3.966 3.203 1.00 . A A . 15 ASP HB3 1 1 5 2166 1 1 15 ASP N N 5.291 -1.406 4.966 1.00 . A A . 15 ASP N 1 1 5 2167 1 1 15 ASP O O 5.861 -1.730 1.419 1.00 . A A . 15 ASP O 1 1 5 2168 1 1 15 ASP OD1 O 8.342 -2.884 5.508 1.00 . A A . 15 ASP OD1 1 1 5 2169 1 1 15 ASP OD2 O 8.592 -4.459 3.998 1.00 . A A . 15 ASP OD2 1 1 5 2170 1 1 16 CYS C C 2.901 0.047 0.949 1.00 . A A . 16 CYS C 1 1 5 2171 1 1 16 CYS CA C 3.005 -1.422 1.405 1.00 . A A . 16 CYS CA 1 1 5 2172 1 1 16 CYS CB C 1.640 -2.028 1.799 1.00 . A A . 16 CYS CB 1 1 5 2173 1 1 16 CYS H H 3.493 -1.718 3.451 1.00 . A A . 16 CYS H 1 1 5 2174 1 1 16 CYS HA H 3.389 -2.002 0.572 1.00 . A A . 16 CYS HA 1 1 5 2175 1 1 16 CYS HB2 H 1.764 -3.026 2.176 1.00 . A A . 16 CYS HB2 1 1 5 2176 1 1 16 CYS HB3 H 1.278 -1.530 2.671 1.00 . A A . 16 CYS HB3 1 1 5 2177 1 1 16 CYS N N 3.917 -1.603 2.543 1.00 . A A . 16 CYS N 1 1 5 2178 1 1 16 CYS O O 3.351 0.411 -0.139 1.00 . A A . 16 CYS O 1 1 5 2179 1 1 16 CYS SG S 0.396 -2.050 0.480 1.00 . A A . 16 CYS SG 1 1 5 2180 1 1 17 THR C C 1.099 2.565 0.320 1.00 . A A . 17 THR C 1 1 5 2181 1 1 17 THR CA C 1.941 2.301 1.574 1.00 . A A . 17 THR CA 1 1 5 2182 1 1 17 THR CB C 3.147 3.269 1.651 1.00 . A A . 17 THR CB 1 1 5 2183 1 1 17 THR CG2 C 4.085 2.908 2.784 1.00 . A A . 17 THR CG2 1 1 5 2184 1 1 17 THR H H 2.123 0.510 2.722 1.00 . A A . 17 THR H 1 1 5 2185 1 1 17 THR HA H 1.291 2.566 2.412 1.00 . A A . 17 THR HA 1 1 5 2186 1 1 17 THR HB H 2.773 4.279 1.810 1.00 . A A . 17 THR HB 1 1 5 2187 1 1 17 THR HG1 H 4.792 3.690 0.781 1.00 . A A . 17 THR HG1 1 1 5 2188 1 1 17 THR HG21 H 4.804 3.709 2.924 1.00 . A A . 17 THR HG21 1 1 5 2189 1 1 17 THR HG22 H 4.596 1.982 2.528 1.00 . A A . 17 THR HG22 1 1 5 2190 1 1 17 THR HG23 H 3.506 2.764 3.688 1.00 . A A . 17 THR HG23 1 1 5 2191 1 1 17 THR N N 2.302 0.886 1.801 1.00 . A A . 17 THR N 1 1 5 2192 1 1 17 THR O O 1.019 3.705 -0.123 1.00 . A A . 17 THR O 1 1 5 2193 1 1 17 THR OG1 O 3.972 3.260 0.511 1.00 . A A . 17 THR OG1 1 1 5 2194 1 1 18 GLU C C -1.396 2.424 -1.882 1.00 . A A . 18 GLU C 1 1 5 2195 1 1 18 GLU CA C -0.040 1.686 -1.669 1.00 . A A . 18 GLU CA 1 1 5 2196 1 1 18 GLU CB C -0.115 0.300 -2.338 1.00 . A A . 18 GLU CB 1 1 5 2197 1 1 18 GLU CD C 2.037 0.269 -3.774 1.00 . A A . 18 GLU CD 1 1 5 2198 1 1 18 GLU CG C 1.215 -0.386 -2.658 1.00 . A A . 18 GLU CG 1 1 5 2199 1 1 18 GLU H H 0.522 0.624 0.100 1.00 . A A . 18 GLU H 1 1 5 2200 1 1 18 GLU HA H 0.743 2.276 -2.160 1.00 . A A . 18 GLU HA 1 1 5 2201 1 1 18 GLU HB2 H -0.670 -0.347 -1.664 1.00 . A A . 18 GLU HB2 1 1 5 2202 1 1 18 GLU HB3 H -0.678 0.360 -3.270 1.00 . A A . 18 GLU HB3 1 1 5 2203 1 1 18 GLU HG2 H 1.789 -0.432 -1.742 1.00 . A A . 18 GLU HG2 1 1 5 2204 1 1 18 GLU HG3 H 0.992 -1.412 -2.953 1.00 . A A . 18 GLU HG3 1 1 5 2205 1 1 18 GLU N N 0.438 1.564 -0.279 1.00 . A A . 18 GLU N 1 1 5 2206 1 1 18 GLU O O -1.850 2.509 -3.024 1.00 . A A . 18 GLU O 1 1 5 2207 1 1 18 GLU OE1 O 1.471 1.005 -4.630 1.00 . A A . 18 GLU OE1 1 1 5 2208 1 1 18 GLU OE2 O 3.248 -0.055 -3.852 1.00 . A A . 18 GLU OE2 1 1 5 2209 1 1 19 ARG C C -4.500 2.391 -1.024 1.00 . A A . 19 ARG C 1 1 5 2210 1 1 19 ARG CA C -3.440 3.486 -0.811 1.00 . A A . 19 ARG CA 1 1 5 2211 1 1 19 ARG CB C -3.612 4.696 -1.765 1.00 . A A . 19 ARG CB 1 1 5 2212 1 1 19 ARG CD C -5.162 6.564 -2.600 1.00 . A A . 19 ARG CD 1 1 5 2213 1 1 19 ARG CG C -4.857 5.548 -1.481 1.00 . A A . 19 ARG CG 1 1 5 2214 1 1 19 ARG CZ C -6.285 6.362 -4.846 1.00 . A A . 19 ARG CZ 1 1 5 2215 1 1 19 ARG H H -1.609 2.798 0.061 1.00 . A A . 19 ARG H 1 1 5 2216 1 1 19 ARG HA H -3.617 3.828 0.219 1.00 . A A . 19 ARG HA 1 1 5 2217 1 1 19 ARG HB2 H -2.752 5.347 -1.674 1.00 . A A . 19 ARG HB2 1 1 5 2218 1 1 19 ARG HB3 H -3.643 4.336 -2.795 1.00 . A A . 19 ARG HB3 1 1 5 2219 1 1 19 ARG HD2 H -5.935 7.249 -2.243 1.00 . A A . 19 ARG HD2 1 1 5 2220 1 1 19 ARG HD3 H -4.261 7.139 -2.829 1.00 . A A . 19 ARG HD3 1 1 5 2221 1 1 19 ARG HE H -5.500 4.875 -3.853 1.00 . A A . 19 ARG HE 1 1 5 2222 1 1 19 ARG HG2 H -5.722 4.897 -1.362 1.00 . A A . 19 ARG HG2 1 1 5 2223 1 1 19 ARG HG3 H -4.686 6.079 -0.543 1.00 . A A . 19 ARG HG3 1 1 5 2224 1 1 19 ARG HH11 H -6.241 8.322 -4.369 1.00 . A A . 19 ARG HH11 1 1 5 2225 1 1 19 ARG HH12 H -7.064 7.867 -5.859 1.00 . A A . 19 ARG HH12 1 1 5 2226 1 1 19 ARG HH21 H -6.492 4.564 -5.677 1.00 . A A . 19 ARG HH21 1 1 5 2227 1 1 19 ARG HH22 H -7.202 5.934 -6.557 1.00 . A A . 19 ARG HH22 1 1 5 2228 1 1 19 ARG N N -2.041 2.964 -0.835 1.00 . A A . 19 ARG N 1 1 5 2229 1 1 19 ARG NE N -5.644 5.877 -3.806 1.00 . A A . 19 ARG NE 1 1 5 2230 1 1 19 ARG NH1 N -6.558 7.616 -5.019 1.00 . A A . 19 ARG NH1 1 1 5 2231 1 1 19 ARG NH2 N -6.700 5.552 -5.767 1.00 . A A . 19 ARG NH2 1 1 5 2232 1 1 19 ARG O O -5.170 2.347 -2.085 1.00 . A A . 19 ARG O 1 1 5 2233 1 1 19 ARG OXT O -4.724 1.659 -0.051 1.00 . A A . 19 ARG OXT 1 1 5 2234 2 2 1 DT C1' C 9.878 2.751 0.633 1.00 . B B . 20 DT C1' 1 1 5 2235 2 2 1 DT C2 C 11.002 1.641 2.588 1.00 . B B . 20 DT C2 1 1 5 2236 2 2 1 DT C2' C 8.474 2.869 0.016 1.00 . B B . 20 DT C2' 1 1 5 2237 2 2 1 DT C3' C 8.444 4.331 -0.424 1.00 . B B . 20 DT C3' 1 1 5 2238 2 2 1 DT C4 C 10.569 -0.695 3.154 1.00 . B B . 20 DT C4 1 1 5 2239 2 2 1 DT C4' C 9.476 4.994 0.495 1.00 . B B . 20 DT C4' 1 1 5 2240 2 2 1 DT C5 C 9.758 -0.768 1.940 1.00 . B B . 20 DT C5 1 1 5 2241 2 2 1 DT C5' C 8.921 6.174 1.305 1.00 . B B . 20 DT C5' 1 1 5 2242 2 2 1 DT C6 C 9.543 0.334 1.173 1.00 . B B . 20 DT C6 1 1 5 2243 2 2 1 DT C7 C 9.158 -2.093 1.502 1.00 . B B . 20 DT C7 1 1 5 2244 2 2 1 DT H1' H 10.622 2.745 -0.168 1.00 . B B . 20 DT H1' 1 1 5 2245 2 2 1 DT H2' H 7.722 2.710 0.790 1.00 . B B . 20 DT H2' 1 1 5 2246 2 2 1 DT H2'' H 8.285 2.204 -0.825 1.00 . B B . 20 DT H2'' 1 1 5 2247 2 2 1 DT H3 H 11.726 0.622 4.188 1.00 . B B . 20 DT H3 1 1 5 2248 2 2 1 DT H3' H 7.450 4.744 -0.242 1.00 . B B . 20 DT H3' 1 1 5 2249 2 2 1 DT H4' H 10.306 5.356 -0.113 1.00 . B B . 20 DT H4' 1 1 5 2250 2 2 1 DT H5' H 9.679 6.496 2.023 1.00 . B B . 20 DT H5' 1 1 5 2251 2 2 1 DT H5'' H 8.734 7.001 0.612 1.00 . B B . 20 DT H5'' 1 1 5 2252 2 2 1 DT H6 H 8.942 0.236 0.279 1.00 . B B . 20 DT H6 1 1 5 2253 2 2 1 DT H71 H 8.480 -2.456 2.266 1.00 . B B . 20 DT H71 1 1 5 2254 2 2 1 DT H72 H 9.953 -2.823 1.363 1.00 . B B . 20 DT H72 1 1 5 2255 2 2 1 DT H73 H 8.600 -1.983 0.575 1.00 . B B . 20 DT H73 1 1 5 2256 2 2 1 DT HO5' H 7.230 6.693 2.174 1.00 . B B . 20 DT HO5' 1 1 5 2257 2 2 1 DT N1 N 10.101 1.554 1.506 1.00 . B B . 20 DT N1 1 1 5 2258 2 2 1 DT N3 N 11.133 0.533 3.386 1.00 . B B . 20 DT N3 1 1 5 2259 2 2 1 DT O2 O 11.709 2.611 2.852 1.00 . B B . 20 DT O2 1 1 5 2260 2 2 1 DT O3' O 8.850 4.529 -1.775 1.00 . B B . 20 DT O3' 1 1 5 2261 2 2 1 DT O4 O 10.810 -1.597 3.953 1.00 . B B . 20 DT O4 1 1 5 2262 2 2 1 DT O4' O 9.958 3.971 1.346 1.00 . B B . 20 DT O4' 1 1 5 2263 2 2 1 DT O5' O 7.712 5.853 1.988 1.00 . B B . 20 DT O5' 1 1 5 2264 2 2 2 DA C1' C 3.427 6.496 -2.947 1.00 . B B . 21 DA C1' 1 1 5 2265 2 2 2 DA C2 C 5.034 4.982 -6.736 1.00 . B B . 21 DA C2 1 1 5 2266 2 2 2 DA C2' C 3.059 6.541 -1.464 1.00 . B B . 21 DA C2' 1 1 5 2267 2 2 2 DA C3' C 4.405 6.754 -0.765 1.00 . B B . 21 DA C3' 1 1 5 2268 2 2 2 DA C4 C 4.288 4.795 -4.639 1.00 . B B . 21 DA C4 1 1 5 2269 2 2 2 DA C4' C 5.291 7.362 -1.868 1.00 . B B . 21 DA C4' 1 1 5 2270 2 2 2 DA C5 C 4.495 3.440 -4.594 1.00 . B B . 21 DA C5 1 1 5 2271 2 2 2 DA C5' C 6.647 6.662 -2.088 1.00 . B B . 21 DA C5' 1 1 5 2272 2 2 2 DA C6 C 5.033 2.913 -5.790 1.00 . B B . 21 DA C6 1 1 5 2273 2 2 2 DA C8 C 3.747 3.963 -2.688 1.00 . B B . 21 DA C8 1 1 5 2274 2 2 2 DA H1' H 2.590 6.844 -3.559 1.00 . B B . 21 DA H1' 1 1 5 2275 2 2 2 DA H2 H 5.262 5.583 -7.606 1.00 . B B . 21 DA H2 1 1 5 2276 2 2 2 DA H2' H 2.544 5.660 -1.097 1.00 . B B . 21 DA H2' 1 1 5 2277 2 2 2 DA H2'' H 2.385 7.365 -1.326 1.00 . B B . 21 DA H2'' 1 1 5 2278 2 2 2 DA H3' H 4.817 5.774 -0.514 1.00 . B B . 21 DA H3' 1 1 5 2279 2 2 2 DA H4' H 5.519 8.389 -1.589 1.00 . B B . 21 DA H4' 1 1 5 2280 2 2 2 DA H5' H 7.190 7.214 -2.856 1.00 . B B . 21 DA H5' 1 1 5 2281 2 2 2 DA H5'' H 7.223 6.747 -1.168 1.00 . B B . 21 DA H5'' 1 1 5 2282 2 2 2 DA H61 H 5.770 1.397 -6.884 1.00 . B B . 21 DA H61 1 1 5 2283 2 2 2 DA H62 H 5.262 1.004 -5.230 1.00 . B B . 21 DA H62 1 1 5 2284 2 2 2 DA H8 H 3.438 3.945 -1.656 1.00 . B B . 21 DA H8 1 1 5 2285 2 2 2 DA N1 N 5.321 3.693 -6.830 1.00 . B B . 21 DA N1 1 1 5 2286 2 2 2 DA N3 N 4.528 5.637 -5.694 1.00 . B B . 21 DA N3 1 1 5 2287 2 2 2 DA N6 N 5.306 1.644 -6.019 1.00 . B B . 21 DA N6 1 1 5 2288 2 2 2 DA N7 N 4.137 2.905 -3.342 1.00 . B B . 21 DA N7 1 1 5 2289 2 2 2 DA N9 N 3.798 5.136 -3.400 1.00 . B B . 21 DA N9 1 1 5 2290 2 2 2 DA O3' O 4.318 7.534 0.433 1.00 . B B . 21 DA O3' 1 1 5 2291 2 2 2 DA O4' O 4.522 7.392 -3.070 1.00 . B B . 21 DA O4' 1 1 5 2292 2 2 2 DA O5' O 6.543 5.286 -2.460 1.00 . B B . 21 DA O5' 1 1 5 2293 2 2 2 DA OP1 O 7.452 3.025 -3.162 1.00 . B B . 21 DA OP1 1 1 5 2294 2 2 2 DA OP2 O 8.391 5.161 -4.135 1.00 . B B . 21 DA OP2 1 1 5 2295 2 2 2 DA P P 7.808 4.444 -2.977 1.00 . B B . 21 DA P 1 1 5 2296 2 2 3 DC C1' C -1.533 7.731 -0.171 1.00 . B B . 22 DC C1' 1 1 5 2297 2 2 3 DC C2 C -1.032 8.092 -2.616 1.00 . B B . 22 DC C2 1 1 5 2298 2 2 3 DC C2' C -1.096 7.026 1.138 1.00 . B B . 22 DC C2' 1 1 5 2299 2 2 3 DC C3' C -0.576 8.150 2.037 1.00 . B B . 22 DC C3' 1 1 5 2300 2 2 3 DC C4 C -0.009 6.494 -3.912 1.00 . B B . 22 DC C4 1 1 5 2301 2 2 3 DC C4' C -0.359 9.325 1.074 1.00 . B B . 22 DC C4' 1 1 5 2302 2 2 3 DC C5 C 0.076 5.596 -2.822 1.00 . B B . 22 DC C5 1 1 5 2303 2 2 3 DC C5' C 1.025 9.498 0.414 1.00 . B B . 22 DC C5' 1 1 5 2304 2 2 3 DC C6 C -0.372 6.029 -1.620 1.00 . B B . 22 DC C6 1 1 5 2305 2 2 3 DC H1' H -2.612 7.582 -0.273 1.00 . B B . 22 DC H1' 1 1 5 2306 2 2 3 DC H2' H -0.316 6.267 1.027 1.00 . B B . 22 DC H2' 1 1 5 2307 2 2 3 DC H2'' H -1.956 6.549 1.612 1.00 . B B . 22 DC H2'' 1 1 5 2308 2 2 3 DC H3' H 0.343 7.853 2.547 1.00 . B B . 22 DC H3' 1 1 5 2309 2 2 3 DC H4' H -0.589 10.254 1.603 1.00 . B B . 22 DC H4' 1 1 5 2310 2 2 3 DC H41 H 0.422 6.829 -5.818 1.00 . B B . 22 DC H41 1 1 5 2311 2 2 3 DC H42 H 0.692 5.178 -5.252 1.00 . B B . 22 DC H42 1 1 5 2312 2 2 3 DC H5 H 0.464 4.599 -2.925 1.00 . B B . 22 DC H5 1 1 5 2313 2 2 3 DC H5' H 0.927 9.361 -0.668 1.00 . B B . 22 DC H5' 1 1 5 2314 2 2 3 DC H5'' H 1.330 10.539 0.575 1.00 . B B . 22 DC H5'' 1 1 5 2315 2 2 3 DC H6 H -0.378 5.351 -0.787 1.00 . B B . 22 DC H6 1 1 5 2316 2 2 3 DC N1 N -0.891 7.293 -1.463 1.00 . B B . 22 DC N1 1 1 5 2317 2 2 3 DC N3 N -0.548 7.687 -3.815 1.00 . B B . 22 DC N3 1 1 5 2318 2 2 3 DC N4 N 0.469 6.151 -5.071 1.00 . B B . 22 DC N4 1 1 5 2319 2 2 3 DC O2 O -1.644 9.159 -2.632 1.00 . B B . 22 DC O2 1 1 5 2320 2 2 3 DC O3' O -1.589 8.530 2.957 1.00 . B B . 22 DC O3' 1 1 5 2321 2 2 3 DC O4' O -1.340 9.117 0.072 1.00 . B B . 22 DC O4' 1 1 5 2322 2 2 3 DC O5' O 2.049 8.634 0.902 1.00 . B B . 22 DC O5' 1 1 5 2323 2 2 3 DC OP1 O 3.677 9.686 -0.703 1.00 . B B . 22 DC OP1 1 1 5 2324 2 2 3 DC OP2 O 4.136 9.576 1.795 1.00 . B B . 22 DC OP2 1 1 5 2325 2 2 3 DC P P 3.586 8.955 0.574 1.00 . B B . 22 DC P 1 1 5 2326 2 2 4 DG C1' C -0.408 3.495 4.763 1.00 . B B . 23 DG C1' 1 1 5 2327 2 2 4 DG C2 C 2.878 6.476 4.287 1.00 . B B . 23 DG C2 1 1 5 2328 2 2 4 DG C2' C -1.399 2.946 5.800 1.00 . B B . 23 DG C2' 1 1 5 2329 2 2 4 DG C3' C -2.341 4.106 6.115 1.00 . B B . 23 DG C3' 1 1 5 2330 2 2 4 DG C4 C 1.904 4.630 5.114 1.00 . B B . 23 DG C4 1 1 5 2331 2 2 4 DG C4' C -2.275 4.899 4.805 1.00 . B B . 23 DG C4' 1 1 5 2332 2 2 4 DG C5 C 2.954 4.371 5.973 1.00 . B B . 23 DG C5 1 1 5 2333 2 2 4 DG C5' C -2.576 6.407 4.847 1.00 . B B . 23 DG C5' 1 1 5 2334 2 2 4 DG C6 C 4.080 5.262 5.979 1.00 . B B . 23 DG C6 1 1 5 2335 2 2 4 DG C8 C 1.570 2.805 6.254 1.00 . B B . 23 DG C8 1 1 5 2336 2 2 4 DG H1 H 4.661 7.028 5.100 1.00 . B B . 23 DG H1 1 1 5 2337 2 2 4 DG H1' H -0.383 2.821 3.906 1.00 . B B . 23 DG H1' 1 1 5 2338 2 2 4 DG H2' H -0.936 2.618 6.725 1.00 . B B . 23 DG H2' 1 1 5 2339 2 2 4 DG H2'' H -1.919 2.085 5.363 1.00 . B B . 23 DG H2'' 1 1 5 2340 2 2 4 DG H21 H 3.739 8.082 3.429 1.00 . B B . 23 DG H21 1 1 5 2341 2 2 4 DG H22 H 2.232 7.510 2.736 1.00 . B B . 23 DG H22 1 1 5 2342 2 2 4 DG H3' H -1.949 4.711 6.935 1.00 . B B . 23 DG H3' 1 1 5 2343 2 2 4 DG H4' H -2.999 4.447 4.127 1.00 . B B . 23 DG H4' 1 1 5 2344 2 2 4 DG H5' H -2.992 6.668 3.871 1.00 . B B . 23 DG H5' 1 1 5 2345 2 2 4 DG H5'' H -3.341 6.623 5.589 1.00 . B B . 23 DG H5'' 1 1 5 2346 2 2 4 DG H8 H 1.126 1.882 6.585 1.00 . B B . 23 DG H8 1 1 5 2347 2 2 4 DG N1 N 3.942 6.320 5.106 1.00 . B B . 23 DG N1 1 1 5 2348 2 2 4 DG N2 N 2.931 7.476 3.460 1.00 . B B . 23 DG N2 1 1 5 2349 2 2 4 DG N3 N 1.830 5.665 4.221 1.00 . B B . 23 DG N3 1 1 5 2350 2 2 4 DG N7 N 2.728 3.199 6.691 1.00 . B B . 23 DG N7 1 1 5 2351 2 2 4 DG N9 N 0.962 3.642 5.347 1.00 . B B . 23 DG N9 1 1 5 2352 2 2 4 DG O3' O -3.592 3.525 6.455 1.00 . B B . 23 DG O3' 1 1 5 2353 2 2 4 DG O4' O -0.964 4.706 4.291 1.00 . B B . 23 DG O4' 1 1 5 2354 2 2 4 DG O5' O -1.420 7.205 5.100 1.00 . B B . 23 DG O5' 1 1 5 2355 2 2 4 DG O6 O 5.113 5.208 6.649 1.00 . B B . 23 DG O6 1 1 5 2356 2 2 4 DG OP1 O -2.442 9.465 5.066 1.00 . B B . 23 DG OP1 1 1 5 2357 2 2 4 DG OP2 O 0.070 9.181 4.704 1.00 . B B . 23 DG OP2 1 1 5 2358 2 2 4 DG P P -1.311 8.684 4.514 1.00 . B B . 23 DG P 1 1 5 2359 2 2 5 DC C1' C -6.369 4.427 1.592 1.00 . B B . 24 DC C1' 1 1 5 2360 2 2 5 DC C2 C -7.571 2.647 3.017 1.00 . B B . 24 DC C2 1 1 5 2361 2 2 5 DC C2' C -7.322 5.579 1.329 1.00 . B B . 24 DC C2' 1 1 5 2362 2 2 5 DC C3' C -7.592 6.096 2.744 1.00 . B B . 24 DC C3' 1 1 5 2363 2 2 5 DC C4 C -8.584 0.854 2.020 1.00 . B B . 24 DC C4 1 1 5 2364 2 2 5 DC C4' C -6.176 6.029 3.323 1.00 . B B . 24 DC C4' 1 1 5 2365 2 2 5 DC C5 C -8.209 1.291 0.730 1.00 . B B . 24 DC C5 1 1 5 2366 2 2 5 DC C5' C -6.096 5.909 4.863 1.00 . B B . 24 DC C5' 1 1 5 2367 2 2 5 DC C6 C -7.468 2.422 0.642 1.00 . B B . 24 DC C6 1 1 5 2368 2 2 5 DC H1' H -5.717 4.279 0.732 1.00 . B B . 24 DC H1' 1 1 5 2369 2 2 5 DC H2' H -8.212 5.232 0.818 1.00 . B B . 24 DC H2' 1 1 5 2370 2 2 5 DC H2'' H -6.825 6.346 0.736 1.00 . B B . 24 DC H2'' 1 1 5 2371 2 2 5 DC H3' H -8.231 5.395 3.289 1.00 . B B . 24 DC H3' 1 1 5 2372 2 2 5 DC H4' H -5.648 6.937 3.021 1.00 . B B . 24 DC H4' 1 1 5 2373 2 2 5 DC H41 H -9.622 -0.404 3.123 1.00 . B B . 24 DC H41 1 1 5 2374 2 2 5 DC H42 H -9.721 -0.642 1.364 1.00 . B B . 24 DC H42 1 1 5 2375 2 2 5 DC H5 H -8.450 0.731 -0.160 1.00 . B B . 24 DC H5 1 1 5 2376 2 2 5 DC H5' H -5.636 6.818 5.260 1.00 . B B . 24 DC H5' 1 1 5 2377 2 2 5 DC H5'' H -7.101 5.824 5.280 1.00 . B B . 24 DC H5'' 1 1 5 2378 2 2 5 DC H6 H -7.109 2.752 -0.328 1.00 . B B . 24 DC H6 1 1 5 2379 2 2 5 DC N1 N -7.129 3.134 1.771 1.00 . B B . 24 DC N1 1 1 5 2380 2 2 5 DC N3 N -8.273 1.497 3.119 1.00 . B B . 24 DC N3 1 1 5 2381 2 2 5 DC N4 N -9.346 -0.187 2.177 1.00 . B B . 24 DC N4 1 1 5 2382 2 2 5 DC O2 O -7.395 3.224 4.080 1.00 . B B . 24 DC O2 1 1 5 2383 2 2 5 DC O3' O -8.171 7.392 2.707 1.00 . B B . 24 DC O3' 1 1 5 2384 2 2 5 DC O4' O -5.567 4.923 2.654 1.00 . B B . 24 DC O4' 1 1 5 2385 2 2 5 DC O5' O -5.315 4.771 5.225 1.00 . B B . 24 DC O5' 1 1 5 2386 2 2 5 DC OP1 O -4.558 5.606 7.456 1.00 . B B . 24 DC OP1 1 1 5 2387 2 2 5 DC OP2 O -5.923 3.475 7.261 1.00 . B B . 24 DC OP2 1 1 5 2388 2 2 5 DC P P -4.899 4.390 6.705 1.00 . B B . 24 DC P 1 1 5 2389 2 2 6 DC C1' C -11.952 4.290 -1.061 1.00 . B B . 25 DC C1' 1 1 5 2390 2 2 6 DC C2 C -12.876 5.539 -3.022 1.00 . B B . 25 DC C2 1 1 5 2391 2 2 6 DC C2' C -10.692 3.663 -0.459 1.00 . B B . 25 DC C2' 1 1 5 2392 2 2 6 DC C3' C -10.990 3.716 1.040 1.00 . B B . 25 DC C3' 1 1 5 2393 2 2 6 DC C4 C -12.058 5.243 -5.150 1.00 . B B . 25 DC C4 1 1 5 2394 2 2 6 DC C4' C -12.000 4.880 1.124 1.00 . B B . 25 DC C4' 1 1 5 2395 2 2 6 DC C5 C -11.050 4.354 -4.695 1.00 . B B . 25 DC C5 1 1 5 2396 2 2 6 DC C5' C -11.651 5.990 2.119 1.00 . B B . 25 DC C5' 1 1 5 2397 2 2 6 DC C6 C -10.993 4.086 -3.368 1.00 . B B . 25 DC C6 1 1 5 2398 2 2 6 DC H1' H -12.791 3.594 -0.934 1.00 . B B . 25 DC H1' 1 1 5 2399 2 2 6 DC H2' H -9.824 4.283 -0.687 1.00 . B B . 25 DC H2' 1 1 5 2400 2 2 6 DC H2'' H -10.534 2.644 -0.808 1.00 . B B . 25 DC H2'' 1 1 5 2401 2 2 6 DC H3' H -10.081 3.936 1.606 1.00 . B B . 25 DC H3' 1 1 5 2402 2 2 6 DC H4' H -12.971 4.470 1.411 1.00 . B B . 25 DC H4' 1 1 5 2403 2 2 6 DC H41 H -12.921 6.098 -6.728 1.00 . B B . 25 DC H41 1 1 5 2404 2 2 6 DC H42 H -11.601 4.987 -7.083 1.00 . B B . 25 DC H42 1 1 5 2405 2 2 6 DC H5 H -10.351 3.887 -5.374 1.00 . B B . 25 DC H5 1 1 5 2406 2 2 6 DC H5' H -12.387 6.792 2.030 1.00 . B B . 25 DC H5' 1 1 5 2407 2 2 6 DC H5'' H -11.718 5.574 3.123 1.00 . B B . 25 DC H5'' 1 1 5 2408 2 2 6 DC H6 H -10.248 3.388 -2.999 1.00 . B B . 25 DC H6 1 1 5 2409 2 2 6 DC HO3' H -11.211 1.751 0.926 1.00 . B B . 25 DC HO3' 1 1 5 2410 2 2 6 DC N1 N -11.882 4.686 -2.502 1.00 . B B . 25 DC N1 1 1 5 2411 2 2 6 DC N3 N -12.949 5.798 -4.351 1.00 . B B . 25 DC N3 1 1 5 2412 2 2 6 DC N4 N -12.179 5.490 -6.419 1.00 . B B . 25 DC N4 1 1 5 2413 2 2 6 DC O2 O -13.736 6.076 -2.316 1.00 . B B . 25 DC O2 1 1 5 2414 2 2 6 DC O3' O -11.578 2.492 1.465 1.00 . B B . 25 DC O3' 1 1 5 2415 2 2 6 DC O4' O -12.114 5.392 -0.191 1.00 . B B . 25 DC O4' 1 1 5 2416 2 2 6 DC O5' O -10.349 6.513 1.927 1.00 . B B . 25 DC O5' 1 1 5 2417 2 2 6 DC OP1 O -10.148 8.910 2.557 1.00 . B B . 25 DC OP1 1 1 5 2418 2 2 6 DC OP2 O -10.014 7.087 4.347 1.00 . B B . 25 DC OP2 1 1 5 2419 2 2 6 DC P P -9.734 7.552 2.968 1.00 . B B . 25 DC P 1 1 5 2420 3 3 1 ZN ZN ZN 0.299 -3.809 -0.374 1.00 . C A . 26 ZN ZN 1 1 6 2421 1 1 1 LYS C C -4.311 -11.713 5.395 1.00 . A A . 1 LYS C 1 1 6 2422 1 1 1 LYS CA C -5.783 -11.799 5.817 1.00 . A A . 1 LYS CA 1 1 6 2423 1 1 1 LYS CB C -6.279 -13.256 6.037 1.00 . A A . 1 LYS CB 1 1 6 2424 1 1 1 LYS CD C -8.352 -14.631 6.877 1.00 . A A . 1 LYS CD 1 1 6 2425 1 1 1 LYS CE C -7.600 -15.916 7.277 1.00 . A A . 1 LYS CE 1 1 6 2426 1 1 1 LYS CG C -7.530 -13.323 6.937 1.00 . A A . 1 LYS CG 1 1 6 2427 1 1 1 LYS H1 H -6.525 -11.510 3.908 1.00 . A A . 1 LYS H1 1 1 6 2428 1 1 1 LYS H2 H -6.394 -10.115 4.764 1.00 . A A . 1 LYS H2 1 1 6 2429 1 1 1 LYS H3 H -7.604 -11.156 5.080 1.00 . A A . 1 LYS H3 1 1 6 2430 1 1 1 LYS HA H -5.862 -11.280 6.773 1.00 . A A . 1 LYS HA 1 1 6 2431 1 1 1 LYS HB2 H -6.497 -13.715 5.071 1.00 . A A . 1 LYS HB2 1 1 6 2432 1 1 1 LYS HB3 H -5.506 -13.848 6.526 1.00 . A A . 1 LYS HB3 1 1 6 2433 1 1 1 LYS HD2 H -9.206 -14.512 7.549 1.00 . A A . 1 LYS HD2 1 1 6 2434 1 1 1 LYS HD3 H -8.744 -14.761 5.866 1.00 . A A . 1 LYS HD3 1 1 6 2435 1 1 1 LYS HE2 H -6.937 -16.201 6.456 1.00 . A A . 1 LYS HE2 1 1 6 2436 1 1 1 LYS HE3 H -6.980 -15.720 8.156 1.00 . A A . 1 LYS HE3 1 1 6 2437 1 1 1 LYS HG2 H -7.225 -13.158 7.971 1.00 . A A . 1 LYS HG2 1 1 6 2438 1 1 1 LYS HG3 H -8.209 -12.515 6.667 1.00 . A A . 1 LYS HG3 1 1 6 2439 1 1 1 LYS HZ1 H -8.929 -16.928 8.519 1.00 . A A . 1 LYS HZ1 1 1 6 2440 1 1 1 LYS HZ2 H -8.077 -17.945 7.609 1.00 . A A . 1 LYS HZ2 1 1 6 2441 1 1 1 LYS HZ3 H -9.322 -17.103 6.944 1.00 . A A . 1 LYS HZ3 1 1 6 2442 1 1 1 LYS N N -6.627 -11.099 4.828 1.00 . A A . 1 LYS N 1 1 6 2443 1 1 1 LYS NZ N -8.534 -17.036 7.585 1.00 . A A . 1 LYS NZ 1 1 6 2444 1 1 1 LYS O O -3.627 -12.727 5.304 1.00 . A A . 1 LYS O 1 1 6 2445 1 1 2 GLY C C -2.191 -8.778 4.260 1.00 . A A . 2 GLY C 1 1 6 2446 1 1 2 GLY CA C -2.468 -10.265 4.540 1.00 . A A . 2 GLY CA 1 1 6 2447 1 1 2 GLY H H -4.389 -9.692 5.239 1.00 . A A . 2 GLY H 1 1 6 2448 1 1 2 GLY HA2 H -1.707 -10.623 5.227 1.00 . A A . 2 GLY HA2 1 1 6 2449 1 1 2 GLY HA3 H -2.354 -10.829 3.620 1.00 . A A . 2 GLY HA3 1 1 6 2450 1 1 2 GLY N N -3.797 -10.508 5.121 1.00 . A A . 2 GLY N 1 1 6 2451 1 1 2 GLY O O -2.195 -7.989 5.212 1.00 . A A . 2 GLY O 1 1 6 2452 1 1 3 CYS C C -3.036 -6.140 2.940 1.00 . A A . 3 CYS C 1 1 6 2453 1 1 3 CYS CA C -1.760 -6.958 2.629 1.00 . A A . 3 CYS CA 1 1 6 2454 1 1 3 CYS CB C -1.343 -6.780 1.146 1.00 . A A . 3 CYS CB 1 1 6 2455 1 1 3 CYS H H -2.087 -9.057 2.241 1.00 . A A . 3 CYS H 1 1 6 2456 1 1 3 CYS HA H -0.944 -6.576 3.247 1.00 . A A . 3 CYS HA 1 1 6 2457 1 1 3 CYS HB2 H -0.709 -7.595 0.806 1.00 . A A . 3 CYS HB2 1 1 6 2458 1 1 3 CYS HB3 H -2.252 -6.812 0.563 1.00 . A A . 3 CYS HB3 1 1 6 2459 1 1 3 CYS N N -1.959 -8.384 2.988 1.00 . A A . 3 CYS N 1 1 6 2460 1 1 3 CYS O O -4.156 -6.665 2.925 1.00 . A A . 3 CYS O 1 1 6 2461 1 1 3 CYS SG S -0.485 -5.196 0.802 1.00 . A A . 3 CYS SG 1 1 6 2462 1 1 4 TRP C C -4.834 -3.732 2.215 1.00 . A A . 4 TRP C 1 1 6 2463 1 1 4 TRP CA C -3.950 -3.905 3.454 1.00 . A A . 4 TRP CA 1 1 6 2464 1 1 4 TRP CB C -3.344 -2.576 3.918 1.00 . A A . 4 TRP CB 1 1 6 2465 1 1 4 TRP CD1 C -5.433 -1.103 3.715 1.00 . A A . 4 TRP CD1 1 1 6 2466 1 1 4 TRP CD2 C -3.518 -0.067 3.199 1.00 . A A . 4 TRP CD2 1 1 6 2467 1 1 4 TRP CE2 C -4.563 0.872 2.981 1.00 . A A . 4 TRP CE2 1 1 6 2468 1 1 4 TRP CE3 C -2.195 0.362 2.967 1.00 . A A . 4 TRP CE3 1 1 6 2469 1 1 4 TRP CG C -4.099 -1.322 3.633 1.00 . A A . 4 TRP CG 1 1 6 2470 1 1 4 TRP CH2 C -2.971 2.600 2.406 1.00 . A A . 4 TRP CH2 1 1 6 2471 1 1 4 TRP CZ2 C -4.303 2.177 2.547 1.00 . A A . 4 TRP CZ2 1 1 6 2472 1 1 4 TRP CZ3 C -1.926 1.681 2.584 1.00 . A A . 4 TRP CZ3 1 1 6 2473 1 1 4 TRP H H -1.909 -4.504 3.102 1.00 . A A . 4 TRP H 1 1 6 2474 1 1 4 TRP HA H -4.584 -4.297 4.255 1.00 . A A . 4 TRP HA 1 1 6 2475 1 1 4 TRP HB2 H -3.154 -2.605 4.981 1.00 . A A . 4 TRP HB2 1 1 6 2476 1 1 4 TRP HB3 H -2.370 -2.466 3.437 1.00 . A A . 4 TRP HB3 1 1 6 2477 1 1 4 TRP HD1 H -6.172 -1.835 4.020 1.00 . A A . 4 TRP HD1 1 1 6 2478 1 1 4 TRP HE1 H -6.658 0.552 3.228 1.00 . A A . 4 TRP HE1 1 1 6 2479 1 1 4 TRP HE3 H -1.376 -0.326 3.101 1.00 . A A . 4 TRP HE3 1 1 6 2480 1 1 4 TRP HH2 H -2.743 3.622 2.145 1.00 . A A . 4 TRP HH2 1 1 6 2481 1 1 4 TRP HZ2 H -5.122 2.836 2.328 1.00 . A A . 4 TRP HZ2 1 1 6 2482 1 1 4 TRP HZ3 H -0.912 1.978 2.425 1.00 . A A . 4 TRP HZ3 1 1 6 2483 1 1 4 TRP N N -2.856 -4.846 3.195 1.00 . A A . 4 TRP N 1 1 6 2484 1 1 4 TRP NE1 N -5.718 0.181 3.291 1.00 . A A . 4 TRP NE1 1 1 6 2485 1 1 4 TRP O O -6.039 -3.977 2.291 1.00 . A A . 4 TRP O 1 1 6 2486 1 1 5 LYS C C -4.741 -3.892 -1.300 1.00 . A A . 5 LYS C 1 1 6 2487 1 1 5 LYS CA C -4.945 -2.920 -0.136 1.00 . A A . 5 LYS CA 1 1 6 2488 1 1 5 LYS CB C -4.590 -1.460 -0.483 1.00 . A A . 5 LYS CB 1 1 6 2489 1 1 5 LYS CD C -2.891 -1.399 -2.423 1.00 . A A . 5 LYS CD 1 1 6 2490 1 1 5 LYS CE C -3.461 -0.236 -3.238 1.00 . A A . 5 LYS CE 1 1 6 2491 1 1 5 LYS CG C -3.134 -1.238 -0.915 1.00 . A A . 5 LYS CG 1 1 6 2492 1 1 5 LYS H H -3.249 -3.102 1.162 1.00 . A A . 5 LYS H 1 1 6 2493 1 1 5 LYS HA H -6.014 -2.943 0.057 1.00 . A A . 5 LYS HA 1 1 6 2494 1 1 5 LYS HB2 H -5.250 -1.108 -1.269 1.00 . A A . 5 LYS HB2 1 1 6 2495 1 1 5 LYS HB3 H -4.783 -0.844 0.398 1.00 . A A . 5 LYS HB3 1 1 6 2496 1 1 5 LYS HD2 H -1.821 -1.443 -2.562 1.00 . A A . 5 LYS HD2 1 1 6 2497 1 1 5 LYS HD3 H -3.306 -2.332 -2.794 1.00 . A A . 5 LYS HD3 1 1 6 2498 1 1 5 LYS HE2 H -4.537 -0.381 -3.360 1.00 . A A . 5 LYS HE2 1 1 6 2499 1 1 5 LYS HE3 H -3.316 0.684 -2.669 1.00 . A A . 5 LYS HE3 1 1 6 2500 1 1 5 LYS HG2 H -2.829 -0.232 -0.623 1.00 . A A . 5 LYS HG2 1 1 6 2501 1 1 5 LYS HG3 H -2.490 -1.933 -0.379 1.00 . A A . 5 LYS HG3 1 1 6 2502 1 1 5 LYS HZ1 H -3.497 -0.056 -5.302 1.00 . A A . 5 LYS HZ1 1 1 6 2503 1 1 5 LYS HZ2 H -2.207 -0.904 -4.746 1.00 . A A . 5 LYS HZ2 1 1 6 2504 1 1 5 LYS HZ3 H -2.228 0.730 -4.606 1.00 . A A . 5 LYS HZ3 1 1 6 2505 1 1 5 LYS N N -4.237 -3.305 1.098 1.00 . A A . 5 LYS N 1 1 6 2506 1 1 5 LYS NZ N -2.804 -0.106 -4.557 1.00 . A A . 5 LYS NZ 1 1 6 2507 1 1 5 LYS O O -5.570 -3.912 -2.208 1.00 . A A . 5 LYS O 1 1 6 2508 1 1 6 CYS C C -4.030 -6.841 -2.427 1.00 . A A . 6 CYS C 1 1 6 2509 1 1 6 CYS CA C -3.241 -5.520 -2.398 1.00 . A A . 6 CYS CA 1 1 6 2510 1 1 6 CYS CB C -1.724 -5.744 -2.318 1.00 . A A . 6 CYS CB 1 1 6 2511 1 1 6 CYS H H -2.968 -4.508 -0.560 1.00 . A A . 6 CYS H 1 1 6 2512 1 1 6 CYS HA H -3.419 -4.991 -3.323 1.00 . A A . 6 CYS HA 1 1 6 2513 1 1 6 CYS HB2 H -1.482 -6.380 -1.467 1.00 . A A . 6 CYS HB2 1 1 6 2514 1 1 6 CYS HB3 H -1.415 -6.269 -3.223 1.00 . A A . 6 CYS HB3 1 1 6 2515 1 1 6 CYS N N -3.646 -4.660 -1.290 1.00 . A A . 6 CYS N 1 1 6 2516 1 1 6 CYS O O -4.661 -7.195 -3.426 1.00 . A A . 6 CYS O 1 1 6 2517 1 1 6 CYS SG S -0.854 -4.155 -2.178 1.00 . A A . 6 CYS SG 1 1 6 2518 1 1 7 GLY C C -3.793 -10.048 -1.120 1.00 . A A . 7 GLY C 1 1 6 2519 1 1 7 GLY CA C -4.666 -8.799 -1.013 1.00 . A A . 7 GLY CA 1 1 6 2520 1 1 7 GLY H H -3.510 -7.084 -0.536 1.00 . A A . 7 GLY H 1 1 6 2521 1 1 7 GLY HA2 H -5.043 -8.751 0.005 1.00 . A A . 7 GLY HA2 1 1 6 2522 1 1 7 GLY HA3 H -5.492 -8.919 -1.705 1.00 . A A . 7 GLY HA3 1 1 6 2523 1 1 7 GLY N N -3.997 -7.532 -1.287 1.00 . A A . 7 GLY N 1 1 6 2524 1 1 7 GLY O O -4.302 -11.094 -1.512 1.00 . A A . 7 GLY O 1 1 6 2525 1 1 8 LYS C C -0.546 -11.493 -0.179 1.00 . A A . 8 LYS C 1 1 6 2526 1 1 8 LYS CA C -1.493 -10.952 -1.251 1.00 . A A . 8 LYS CA 1 1 6 2527 1 1 8 LYS CB C -0.680 -10.410 -2.434 1.00 . A A . 8 LYS CB 1 1 6 2528 1 1 8 LYS CD C -0.651 -9.479 -4.811 1.00 . A A . 8 LYS CD 1 1 6 2529 1 1 8 LYS CE C 0.089 -8.132 -4.794 1.00 . A A . 8 LYS CE 1 1 6 2530 1 1 8 LYS CG C -1.510 -9.813 -3.584 1.00 . A A . 8 LYS CG 1 1 6 2531 1 1 8 LYS H H -2.158 -9.048 -0.503 1.00 . A A . 8 LYS H 1 1 6 2532 1 1 8 LYS HA H -2.037 -11.830 -1.576 1.00 . A A . 8 LYS HA 1 1 6 2533 1 1 8 LYS HB2 H -0.001 -9.663 -2.031 1.00 . A A . 8 LYS HB2 1 1 6 2534 1 1 8 LYS HB3 H -0.083 -11.232 -2.831 1.00 . A A . 8 LYS HB3 1 1 6 2535 1 1 8 LYS HD2 H 0.066 -10.282 -4.975 1.00 . A A . 8 LYS HD2 1 1 6 2536 1 1 8 LYS HD3 H -1.319 -9.458 -5.671 1.00 . A A . 8 LYS HD3 1 1 6 2537 1 1 8 LYS HE2 H 0.781 -8.120 -5.641 1.00 . A A . 8 LYS HE2 1 1 6 2538 1 1 8 LYS HE3 H -0.637 -7.335 -4.957 1.00 . A A . 8 LYS HE3 1 1 6 2539 1 1 8 LYS HG2 H -2.255 -10.553 -3.884 1.00 . A A . 8 LYS HG2 1 1 6 2540 1 1 8 LYS HG3 H -2.031 -8.914 -3.258 1.00 . A A . 8 LYS HG3 1 1 6 2541 1 1 8 LYS HZ1 H 0.220 -7.654 -2.771 1.00 . A A . 8 LYS HZ1 1 1 6 2542 1 1 8 LYS HZ2 H 1.494 -7.100 -3.645 1.00 . A A . 8 LYS HZ2 1 1 6 2543 1 1 8 LYS HZ3 H 1.405 -8.670 -3.277 1.00 . A A . 8 LYS HZ3 1 1 6 2544 1 1 8 LYS N N -2.485 -9.940 -0.836 1.00 . A A . 8 LYS N 1 1 6 2545 1 1 8 LYS NZ N 0.836 -7.868 -3.543 1.00 . A A . 8 LYS NZ 1 1 6 2546 1 1 8 LYS O O 0.429 -12.152 -0.519 1.00 . A A . 8 LYS O 1 1 6 2547 1 1 9 GLU C C 1.568 -11.402 2.080 1.00 . A A . 9 GLU C 1 1 6 2548 1 1 9 GLU CA C 0.054 -11.715 2.211 1.00 . A A . 9 GLU CA 1 1 6 2549 1 1 9 GLU CB C -0.200 -13.219 2.440 1.00 . A A . 9 GLU CB 1 1 6 2550 1 1 9 GLU CD C -1.845 -15.114 2.730 1.00 . A A . 9 GLU CD 1 1 6 2551 1 1 9 GLU CG C -1.674 -13.598 2.616 1.00 . A A . 9 GLU CG 1 1 6 2552 1 1 9 GLU H H -1.706 -10.838 1.304 1.00 . A A . 9 GLU H 1 1 6 2553 1 1 9 GLU HA H -0.263 -11.204 3.117 1.00 . A A . 9 GLU HA 1 1 6 2554 1 1 9 GLU HB2 H 0.209 -13.776 1.601 1.00 . A A . 9 GLU HB2 1 1 6 2555 1 1 9 GLU HB3 H 0.332 -13.517 3.341 1.00 . A A . 9 GLU HB3 1 1 6 2556 1 1 9 GLU HG2 H -2.035 -13.120 3.520 1.00 . A A . 9 GLU HG2 1 1 6 2557 1 1 9 GLU HG3 H -2.263 -13.231 1.775 1.00 . A A . 9 GLU HG3 1 1 6 2558 1 1 9 GLU N N -0.792 -11.215 1.101 1.00 . A A . 9 GLU N 1 1 6 2559 1 1 9 GLU O O 2.417 -12.178 2.535 1.00 . A A . 9 GLU O 1 1 6 2560 1 1 9 GLU OE1 O -1.521 -15.693 3.786 1.00 . A A . 9 GLU OE1 1 1 6 2561 1 1 9 GLU OE2 O -2.298 -15.728 1.718 1.00 . A A . 9 GLU OE2 1 1 6 2562 1 1 10 GLY C C 4.046 -9.155 2.150 1.00 . A A . 10 GLY C 1 1 6 2563 1 1 10 GLY CA C 3.320 -9.968 1.078 1.00 . A A . 10 GLY CA 1 1 6 2564 1 1 10 GLY H H 1.204 -9.681 1.093 1.00 . A A . 10 GLY H 1 1 6 2565 1 1 10 GLY HA2 H 3.877 -10.882 0.901 1.00 . A A . 10 GLY HA2 1 1 6 2566 1 1 10 GLY HA3 H 3.326 -9.384 0.158 1.00 . A A . 10 GLY HA3 1 1 6 2567 1 1 10 GLY N N 1.930 -10.297 1.419 1.00 . A A . 10 GLY N 1 1 6 2568 1 1 10 GLY O O 5.236 -9.342 2.404 1.00 . A A . 10 GLY O 1 1 6 2569 1 1 11 HIS C C 2.522 -6.757 4.568 1.00 . A A . 11 HIS C 1 1 6 2570 1 1 11 HIS CA C 3.739 -7.400 3.883 1.00 . A A . 11 HIS CA 1 1 6 2571 1 1 11 HIS CB C 4.697 -6.318 3.341 1.00 . A A . 11 HIS CB 1 1 6 2572 1 1 11 HIS CD2 C 3.020 -4.953 1.944 1.00 . A A . 11 HIS CD2 1 1 6 2573 1 1 11 HIS CE1 C 4.159 -4.761 0.084 1.00 . A A . 11 HIS CE1 1 1 6 2574 1 1 11 HIS CG C 4.206 -5.619 2.102 1.00 . A A . 11 HIS CG 1 1 6 2575 1 1 11 HIS H H 2.328 -8.184 2.522 1.00 . A A . 11 HIS H 1 1 6 2576 1 1 11 HIS HA H 4.261 -8.008 4.618 1.00 . A A . 11 HIS HA 1 1 6 2577 1 1 11 HIS HB2 H 4.877 -5.574 4.110 1.00 . A A . 11 HIS HB2 1 1 6 2578 1 1 11 HIS HB3 H 5.653 -6.780 3.110 1.00 . A A . 11 HIS HB3 1 1 6 2579 1 1 11 HIS HD1 H 5.905 -5.682 0.802 1.00 . A A . 11 HIS HD1 1 1 6 2580 1 1 11 HIS HD2 H 2.291 -4.701 2.705 1.00 . A A . 11 HIS HD2 1 1 6 2581 1 1 11 HIS HE1 H 4.476 -4.374 -0.872 1.00 . A A . 11 HIS HE1 1 1 6 2582 1 1 11 HIS N N 3.298 -8.255 2.787 1.00 . A A . 11 HIS N 1 1 6 2583 1 1 11 HIS ND1 N 4.913 -5.473 0.930 1.00 . A A . 11 HIS ND1 1 1 6 2584 1 1 11 HIS NE2 N 2.964 -4.499 0.634 1.00 . A A . 11 HIS NE2 1 1 6 2585 1 1 11 HIS O O 1.376 -7.152 4.347 1.00 . A A . 11 HIS O 1 1 6 2586 1 1 12 GLN C C 1.955 -3.434 5.553 1.00 . A A . 12 GLN C 1 1 6 2587 1 1 12 GLN CA C 1.804 -4.878 6.022 1.00 . A A . 12 GLN CA 1 1 6 2588 1 1 12 GLN CB C 1.992 -5.052 7.532 1.00 . A A . 12 GLN CB 1 1 6 2589 1 1 12 GLN CD C 0.953 -5.885 9.668 1.00 . A A . 12 GLN CD 1 1 6 2590 1 1 12 GLN CG C 0.685 -5.409 8.248 1.00 . A A . 12 GLN CG 1 1 6 2591 1 1 12 GLN H H 3.757 -5.501 5.528 1.00 . A A . 12 GLN H 1 1 6 2592 1 1 12 GLN HA H 0.791 -5.131 5.726 1.00 . A A . 12 GLN HA 1 1 6 2593 1 1 12 GLN HB2 H 2.705 -5.855 7.731 1.00 . A A . 12 GLN HB2 1 1 6 2594 1 1 12 GLN HB3 H 2.432 -4.143 7.926 1.00 . A A . 12 GLN HB3 1 1 6 2595 1 1 12 GLN HE21 H 0.142 -4.226 10.510 1.00 . A A . 12 GLN HE21 1 1 6 2596 1 1 12 GLN HE22 H 0.795 -5.425 11.612 1.00 . A A . 12 GLN HE22 1 1 6 2597 1 1 12 GLN HG2 H 0.016 -4.549 8.255 1.00 . A A . 12 GLN HG2 1 1 6 2598 1 1 12 GLN HG3 H 0.196 -6.227 7.716 1.00 . A A . 12 GLN HG3 1 1 6 2599 1 1 12 GLN N N 2.779 -5.738 5.375 1.00 . A A . 12 GLN N 1 1 6 2600 1 1 12 GLN NE2 N 0.620 -5.104 10.669 1.00 . A A . 12 GLN NE2 1 1 6 2601 1 1 12 GLN O O 2.849 -3.099 4.784 1.00 . A A . 12 GLN O 1 1 6 2602 1 1 12 GLN OE1 O 1.483 -6.966 9.887 1.00 . A A . 12 GLN OE1 1 1 6 2603 1 1 13 MET C C 2.293 -0.412 5.620 1.00 . A A . 13 MET C 1 1 6 2604 1 1 13 MET CA C 0.963 -1.159 5.601 1.00 . A A . 13 MET CA 1 1 6 2605 1 1 13 MET CB C -0.035 -0.467 6.515 1.00 . A A . 13 MET CB 1 1 6 2606 1 1 13 MET CE C -2.871 -2.330 8.225 1.00 . A A . 13 MET CE 1 1 6 2607 1 1 13 MET CG C -1.446 -0.984 6.300 1.00 . A A . 13 MET CG 1 1 6 2608 1 1 13 MET H H 0.379 -2.892 6.676 1.00 . A A . 13 MET H 1 1 6 2609 1 1 13 MET HA H 0.596 -1.066 4.588 1.00 . A A . 13 MET HA 1 1 6 2610 1 1 13 MET HB2 H 0.252 -0.633 7.551 1.00 . A A . 13 MET HB2 1 1 6 2611 1 1 13 MET HB3 H -0.020 0.583 6.270 1.00 . A A . 13 MET HB3 1 1 6 2612 1 1 13 MET HE1 H -3.329 -2.929 7.440 1.00 . A A . 13 MET HE1 1 1 6 2613 1 1 13 MET HE2 H -1.917 -2.774 8.503 1.00 . A A . 13 MET HE2 1 1 6 2614 1 1 13 MET HE3 H -3.526 -2.329 9.092 1.00 . A A . 13 MET HE3 1 1 6 2615 1 1 13 MET HG2 H -1.821 -0.599 5.363 1.00 . A A . 13 MET HG2 1 1 6 2616 1 1 13 MET HG3 H -1.410 -2.050 6.178 1.00 . A A . 13 MET HG3 1 1 6 2617 1 1 13 MET N N 1.068 -2.560 6.021 1.00 . A A . 13 MET N 1 1 6 2618 1 1 13 MET O O 2.549 0.350 4.690 1.00 . A A . 13 MET O 1 1 6 2619 1 1 13 MET SD S -2.608 -0.631 7.633 1.00 . A A . 13 MET SD 1 1 6 2620 1 1 14 LYS C C 5.464 -0.417 5.697 1.00 . A A . 14 LYS C 1 1 6 2621 1 1 14 LYS CA C 4.468 -0.084 6.811 1.00 . A A . 14 LYS CA 1 1 6 2622 1 1 14 LYS CB C 5.010 -0.524 8.177 1.00 . A A . 14 LYS CB 1 1 6 2623 1 1 14 LYS CD C 4.457 -0.333 10.675 1.00 . A A . 14 LYS CD 1 1 6 2624 1 1 14 LYS CE C 3.097 -0.520 11.371 1.00 . A A . 14 LYS CE 1 1 6 2625 1 1 14 LYS CG C 4.365 0.317 9.291 1.00 . A A . 14 LYS CG 1 1 6 2626 1 1 14 LYS H H 2.828 -1.341 7.317 1.00 . A A . 14 LYS H 1 1 6 2627 1 1 14 LYS HA H 4.377 0.996 6.801 1.00 . A A . 14 LYS HA 1 1 6 2628 1 1 14 LYS HB2 H 4.787 -1.583 8.310 1.00 . A A . 14 LYS HB2 1 1 6 2629 1 1 14 LYS HB3 H 6.093 -0.402 8.208 1.00 . A A . 14 LYS HB3 1 1 6 2630 1 1 14 LYS HD2 H 4.961 -1.294 10.592 1.00 . A A . 14 LYS HD2 1 1 6 2631 1 1 14 LYS HD3 H 5.085 0.297 11.303 1.00 . A A . 14 LYS HD3 1 1 6 2632 1 1 14 LYS HE2 H 3.271 -1.025 12.321 1.00 . A A . 14 LYS HE2 1 1 6 2633 1 1 14 LYS HE3 H 2.660 0.457 11.578 1.00 . A A . 14 LYS HE3 1 1 6 2634 1 1 14 LYS HG2 H 4.865 1.281 9.316 1.00 . A A . 14 LYS HG2 1 1 6 2635 1 1 14 LYS HG3 H 3.328 0.506 9.038 1.00 . A A . 14 LYS HG3 1 1 6 2636 1 1 14 LYS HZ1 H 1.392 -1.669 11.158 1.00 . A A . 14 LYS HZ1 1 1 6 2637 1 1 14 LYS HZ2 H 2.624 -2.150 10.199 1.00 . A A . 14 LYS HZ2 1 1 6 2638 1 1 14 LYS HZ3 H 1.724 -0.760 9.849 1.00 . A A . 14 LYS HZ3 1 1 6 2639 1 1 14 LYS N N 3.132 -0.672 6.626 1.00 . A A . 14 LYS N 1 1 6 2640 1 1 14 LYS NZ N 2.152 -1.336 10.576 1.00 . A A . 14 LYS NZ 1 1 6 2641 1 1 14 LYS O O 6.478 0.269 5.563 1.00 . A A . 14 LYS O 1 1 6 2642 1 1 15 ASP C C 5.081 -1.649 2.400 1.00 . A A . 15 ASP C 1 1 6 2643 1 1 15 ASP CA C 5.890 -1.843 3.706 1.00 . A A . 15 ASP CA 1 1 6 2644 1 1 15 ASP CB C 6.323 -3.301 3.869 1.00 . A A . 15 ASP CB 1 1 6 2645 1 1 15 ASP CG C 7.823 -3.499 4.065 1.00 . A A . 15 ASP CG 1 1 6 2646 1 1 15 ASP H H 4.344 -2.007 5.173 1.00 . A A . 15 ASP H 1 1 6 2647 1 1 15 ASP HA H 6.790 -1.240 3.610 1.00 . A A . 15 ASP HA 1 1 6 2648 1 1 15 ASP HB2 H 5.789 -3.743 4.716 1.00 . A A . 15 ASP HB2 1 1 6 2649 1 1 15 ASP HB3 H 6.036 -3.842 2.972 1.00 . A A . 15 ASP HB3 1 1 6 2650 1 1 15 ASP N N 5.161 -1.450 4.917 1.00 . A A . 15 ASP N 1 1 6 2651 1 1 15 ASP O O 5.684 -1.524 1.332 1.00 . A A . 15 ASP O 1 1 6 2652 1 1 15 ASP OD1 O 8.488 -2.713 4.780 1.00 . A A . 15 ASP OD1 1 1 6 2653 1 1 15 ASP OD2 O 8.335 -4.512 3.532 1.00 . A A . 15 ASP OD2 1 1 6 2654 1 1 16 CYS C C 2.774 0.059 0.959 1.00 . A A . 16 CYS C 1 1 6 2655 1 1 16 CYS CA C 2.821 -1.418 1.370 1.00 . A A . 16 CYS CA 1 1 6 2656 1 1 16 CYS CB C 1.445 -1.991 1.763 1.00 . A A . 16 CYS CB 1 1 6 2657 1 1 16 CYS H H 3.337 -1.773 3.395 1.00 . A A . 16 CYS H 1 1 6 2658 1 1 16 CYS HA H 3.192 -1.995 0.528 1.00 . A A . 16 CYS HA 1 1 6 2659 1 1 16 CYS HB2 H 1.575 -2.928 2.255 1.00 . A A . 16 CYS HB2 1 1 6 2660 1 1 16 CYS HB3 H 1.039 -1.429 2.572 1.00 . A A . 16 CYS HB3 1 1 6 2661 1 1 16 CYS N N 3.744 -1.607 2.487 1.00 . A A . 16 CYS N 1 1 6 2662 1 1 16 CYS O O 3.231 0.400 -0.124 1.00 . A A . 16 CYS O 1 1 6 2663 1 1 16 CYS SG S 0.273 -2.179 0.389 1.00 . A A . 16 CYS SG 1 1 6 2664 1 1 17 THR C C 1.368 2.630 0.206 1.00 . A A . 17 THR C 1 1 6 2665 1 1 17 THR CA C 1.910 2.328 1.615 1.00 . A A . 17 THR CA 1 1 6 2666 1 1 17 THR CB C 3.022 3.260 2.127 1.00 . A A . 17 THR CB 1 1 6 2667 1 1 17 THR CG2 C 4.376 3.034 1.472 1.00 . A A . 17 THR CG2 1 1 6 2668 1 1 17 THR H H 2.028 0.518 2.748 1.00 . A A . 17 THR H 1 1 6 2669 1 1 17 THR HA H 1.079 2.551 2.275 1.00 . A A . 17 THR HA 1 1 6 2670 1 1 17 THR HB H 3.148 3.071 3.189 1.00 . A A . 17 THR HB 1 1 6 2671 1 1 17 THR HG1 H 2.505 5.026 2.844 1.00 . A A . 17 THR HG1 1 1 6 2672 1 1 17 THR HG21 H 5.053 3.835 1.752 1.00 . A A . 17 THR HG21 1 1 6 2673 1 1 17 THR HG22 H 4.257 3.024 0.398 1.00 . A A . 17 THR HG22 1 1 6 2674 1 1 17 THR HG23 H 4.786 2.079 1.793 1.00 . A A . 17 THR HG23 1 1 6 2675 1 1 17 THR N N 2.211 0.900 1.834 1.00 . A A . 17 THR N 1 1 6 2676 1 1 17 THR O O 1.721 3.597 -0.453 1.00 . A A . 17 THR O 1 1 6 2677 1 1 17 THR OG1 O 2.624 4.592 1.961 1.00 . A A . 17 THR OG1 1 1 6 2678 1 1 18 GLU C C -1.442 2.541 -1.839 1.00 . A A . 18 GLU C 1 1 6 2679 1 1 18 GLU CA C -0.047 1.888 -1.679 1.00 . A A . 18 GLU CA 1 1 6 2680 1 1 18 GLU CB C 0.076 0.512 -2.338 1.00 . A A . 18 GLU CB 1 1 6 2681 1 1 18 GLU CD C 1.660 0.242 -4.271 1.00 . A A . 18 GLU CD 1 1 6 2682 1 1 18 GLU CG C 1.518 0.201 -2.752 1.00 . A A . 18 GLU CG 1 1 6 2683 1 1 18 GLU H H 0.351 0.887 0.185 1.00 . A A . 18 GLU H 1 1 6 2684 1 1 18 GLU HA H 0.611 2.547 -2.250 1.00 . A A . 18 GLU HA 1 1 6 2685 1 1 18 GLU HB2 H -0.261 -0.240 -1.630 1.00 . A A . 18 GLU HB2 1 1 6 2686 1 1 18 GLU HB3 H -0.558 0.459 -3.220 1.00 . A A . 18 GLU HB3 1 1 6 2687 1 1 18 GLU HG2 H 2.209 0.917 -2.309 1.00 . A A . 18 GLU HG2 1 1 6 2688 1 1 18 GLU HG3 H 1.788 -0.794 -2.396 1.00 . A A . 18 GLU HG3 1 1 6 2689 1 1 18 GLU N N 0.469 1.780 -0.295 1.00 . A A . 18 GLU N 1 1 6 2690 1 1 18 GLU O O -2.027 2.487 -2.928 1.00 . A A . 18 GLU O 1 1 6 2691 1 1 18 GLU OE1 O 1.909 1.330 -4.845 1.00 . A A . 18 GLU OE1 1 1 6 2692 1 1 18 GLU OE2 O 1.478 -0.812 -4.914 1.00 . A A . 18 GLU OE2 1 1 6 2693 1 1 19 ARG C C -4.479 3.055 -0.788 1.00 . A A . 19 ARG C 1 1 6 2694 1 1 19 ARG CA C -3.225 3.940 -0.694 1.00 . A A . 19 ARG CA 1 1 6 2695 1 1 19 ARG CB C -3.278 5.096 -1.722 1.00 . A A . 19 ARG CB 1 1 6 2696 1 1 19 ARG CD C -5.344 6.423 -2.524 1.00 . A A . 19 ARG CD 1 1 6 2697 1 1 19 ARG CG C -4.311 6.199 -1.411 1.00 . A A . 19 ARG CG 1 1 6 2698 1 1 19 ARG CZ C -6.928 5.080 -3.880 1.00 . A A . 19 ARG CZ 1 1 6 2699 1 1 19 ARG H H -1.357 3.201 0.035 1.00 . A A . 19 ARG H 1 1 6 2700 1 1 19 ARG HA H -3.244 4.372 0.313 1.00 . A A . 19 ARG HA 1 1 6 2701 1 1 19 ARG HB2 H -2.302 5.560 -1.782 1.00 . A A . 19 ARG HB2 1 1 6 2702 1 1 19 ARG HB3 H -3.470 4.683 -2.713 1.00 . A A . 19 ARG HB3 1 1 6 2703 1 1 19 ARG HD2 H -6.045 7.196 -2.203 1.00 . A A . 19 ARG HD2 1 1 6 2704 1 1 19 ARG HD3 H -4.825 6.773 -3.421 1.00 . A A . 19 ARG HD3 1 1 6 2705 1 1 19 ARG HE H -5.984 4.400 -2.248 1.00 . A A . 19 ARG HE 1 1 6 2706 1 1 19 ARG HG2 H -4.832 5.977 -0.485 1.00 . A A . 19 ARG HG2 1 1 6 2707 1 1 19 ARG HG3 H -3.784 7.138 -1.261 1.00 . A A . 19 ARG HG3 1 1 6 2708 1 1 19 ARG HH11 H -6.925 7.019 -4.436 1.00 . A A . 19 ARG HH11 1 1 6 2709 1 1 19 ARG HH12 H -7.918 5.939 -5.390 1.00 . A A . 19 ARG HH12 1 1 6 2710 1 1 19 ARG HH21 H -7.143 3.081 -3.694 1.00 . A A . 19 ARG HH21 1 1 6 2711 1 1 19 ARG HH22 H -7.996 3.834 -5.022 1.00 . A A . 19 ARG HH22 1 1 6 2712 1 1 19 ARG N N -1.923 3.238 -0.798 1.00 . A A . 19 ARG N 1 1 6 2713 1 1 19 ARG NE N -6.118 5.213 -2.846 1.00 . A A . 19 ARG NE 1 1 6 2714 1 1 19 ARG NH1 N -7.270 6.089 -4.627 1.00 . A A . 19 ARG NH1 1 1 6 2715 1 1 19 ARG NH2 N -7.437 3.922 -4.183 1.00 . A A . 19 ARG NH2 1 1 6 2716 1 1 19 ARG O O -5.584 3.598 -0.570 1.00 . A A . 19 ARG O 1 1 6 2717 1 1 19 ARG OXT O -4.408 1.867 -1.153 1.00 . A A . 19 ARG OXT 1 1 6 2718 2 2 1 DT C1' C 10.796 4.529 -0.944 1.00 . B B . 20 DT C1' 1 1 6 2719 2 2 1 DT C2 C 11.391 5.589 -3.104 1.00 . B B . 20 DT C2 1 1 6 2720 2 2 1 DT C2' C 9.295 4.280 -0.824 1.00 . B B . 20 DT C2' 1 1 6 2721 2 2 1 DT C3' C 9.165 4.190 0.691 1.00 . B B . 20 DT C3' 1 1 6 2722 2 2 1 DT C4 C 12.310 4.289 -4.971 1.00 . B B . 20 DT C4 1 1 6 2723 2 2 1 DT C4' C 10.506 3.561 1.105 1.00 . B B . 20 DT C4' 1 1 6 2724 2 2 1 DT C5 C 12.124 3.095 -4.149 1.00 . B B . 20 DT C5 1 1 6 2725 2 2 1 DT C5' C 10.400 2.157 1.721 1.00 . B B . 20 DT C5' 1 1 6 2726 2 2 1 DT C6 C 11.628 3.189 -2.886 1.00 . B B . 20 DT C6 1 1 6 2727 2 2 1 DT C7 C 12.472 1.730 -4.705 1.00 . B B . 20 DT C7 1 1 6 2728 2 2 1 DT H1' H 11.022 5.532 -0.562 1.00 . B B . 20 DT H1' 1 1 6 2729 2 2 1 DT H2' H 9.035 3.322 -1.278 1.00 . B B . 20 DT H2' 1 1 6 2730 2 2 1 DT H2'' H 8.709 5.095 -1.250 1.00 . B B . 20 DT H2'' 1 1 6 2731 2 2 1 DT H3 H 12.050 6.315 -4.890 1.00 . B B . 20 DT H3 1 1 6 2732 2 2 1 DT H3' H 8.317 3.562 0.978 1.00 . B B . 20 DT H3' 1 1 6 2733 2 2 1 DT H4' H 10.949 4.216 1.855 1.00 . B B . 20 DT H4' 1 1 6 2734 2 2 1 DT H5' H 11.373 1.880 2.117 1.00 . B B . 20 DT H5' 1 1 6 2735 2 2 1 DT H5'' H 9.703 2.204 2.557 1.00 . B B . 20 DT H5'' 1 1 6 2736 2 2 1 DT H6 H 11.487 2.299 -2.286 1.00 . B B . 20 DT H6 1 1 6 2737 2 2 1 DT H71 H 13.529 1.708 -4.957 1.00 . B B . 20 DT H71 1 1 6 2738 2 2 1 DT H72 H 11.900 1.559 -5.614 1.00 . B B . 20 DT H72 1 1 6 2739 2 2 1 DT H73 H 12.253 0.941 -3.988 1.00 . B B . 20 DT H73 1 1 6 2740 2 2 1 DT HO5' H 9.771 0.332 1.336 1.00 . B B . 20 DT HO5' 1 1 6 2741 2 2 1 DT N1 N 11.297 4.414 -2.343 1.00 . B B . 20 DT N1 1 1 6 2742 2 2 1 DT N3 N 11.911 5.468 -4.375 1.00 . B B . 20 DT N3 1 1 6 2743 2 2 1 DT O2 O 10.999 6.695 -2.721 1.00 . B B . 20 DT O2 1 1 6 2744 2 2 1 DT O3' O 9.063 5.508 1.219 1.00 . B B . 20 DT O3' 1 1 6 2745 2 2 1 DT O4 O 12.745 4.328 -6.122 1.00 . B B . 20 DT O4 1 1 6 2746 2 2 1 DT O4' O 11.343 3.565 -0.052 1.00 . B B . 20 DT O4' 1 1 6 2747 2 2 1 DT O5' O 9.965 1.143 0.824 1.00 . B B . 20 DT O5' 1 1 6 2748 2 2 2 DA C1' C 5.367 5.958 -3.160 1.00 . B B . 21 DA C1' 1 1 6 2749 2 2 2 DA C2 C 8.568 3.138 -4.286 1.00 . B B . 21 DA C2 1 1 6 2750 2 2 2 DA C2' C 4.105 6.528 -2.506 1.00 . B B . 21 DA C2' 1 1 6 2751 2 2 2 DA C3' C 4.570 7.190 -1.217 1.00 . B B . 21 DA C3' 1 1 6 2752 2 2 2 DA C4 C 6.686 3.769 -3.247 1.00 . B B . 21 DA C4 1 1 6 2753 2 2 2 DA C4' C 6.025 7.538 -1.580 1.00 . B B . 21 DA C4' 1 1 6 2754 2 2 2 DA C5 C 6.485 2.524 -2.714 1.00 . B B . 21 DA C5 1 1 6 2755 2 2 2 DA C5' C 7.034 7.407 -0.437 1.00 . B B . 21 DA C5' 1 1 6 2756 2 2 2 DA C6 C 7.502 1.588 -3.013 1.00 . B B . 21 DA C6 1 1 6 2757 2 2 2 DA C8 C 4.822 3.684 -2.092 1.00 . B B . 21 DA C8 1 1 6 2758 2 2 2 DA H1' H 5.270 6.020 -4.246 1.00 . B B . 21 DA H1' 1 1 6 2759 2 2 2 DA H2 H 9.402 3.363 -4.935 1.00 . B B . 21 DA H2 1 1 6 2760 2 2 2 DA H2' H 3.335 5.794 -2.312 1.00 . B B . 21 DA H2' 1 1 6 2761 2 2 2 DA H2'' H 3.668 7.248 -3.176 1.00 . B B . 21 DA H2'' 1 1 6 2762 2 2 2 DA H3' H 4.520 6.484 -0.385 1.00 . B B . 21 DA H3' 1 1 6 2763 2 2 2 DA H4' H 6.035 8.582 -1.890 1.00 . B B . 21 DA H4' 1 1 6 2764 2 2 2 DA H5' H 8.040 7.369 -0.852 1.00 . B B . 21 DA H5' 1 1 6 2765 2 2 2 DA H5'' H 6.959 8.307 0.168 1.00 . B B . 21 DA H5'' 1 1 6 2766 2 2 2 DA H61 H 8.328 -0.239 -2.745 1.00 . B B . 21 DA H61 1 1 6 2767 2 2 2 DA H62 H 6.753 0.020 -2.006 1.00 . B B . 21 DA H62 1 1 6 2768 2 2 2 DA H8 H 3.891 4.017 -1.638 1.00 . B B . 21 DA H8 1 1 6 2769 2 2 2 DA N1 N 8.521 1.902 -3.816 1.00 . B B . 21 DA N1 1 1 6 2770 2 2 2 DA N3 N 7.720 4.142 -4.067 1.00 . B B . 21 DA N3 1 1 6 2771 2 2 2 DA N6 N 7.523 0.346 -2.580 1.00 . B B . 21 DA N6 1 1 6 2772 2 2 2 DA N7 N 5.272 2.459 -2.015 1.00 . B B . 21 DA N7 1 1 6 2773 2 2 2 DA N9 N 5.629 4.542 -2.804 1.00 . B B . 21 DA N9 1 1 6 2774 2 2 2 DA O3' O 3.752 8.333 -0.998 1.00 . B B . 21 DA O3' 1 1 6 2775 2 2 2 DA O4' O 6.434 6.775 -2.712 1.00 . B B . 21 DA O4' 1 1 6 2776 2 2 2 DA O5' O 6.824 6.279 0.401 1.00 . B B . 21 DA O5' 1 1 6 2777 2 2 2 DA OP1 O 7.945 7.421 2.330 1.00 . B B . 21 DA OP1 1 1 6 2778 2 2 2 DA OP2 O 7.066 5.059 2.621 1.00 . B B . 21 DA OP2 1 1 6 2779 2 2 2 DA P P 7.666 6.084 1.745 1.00 . B B . 21 DA P 1 1 6 2780 2 2 3 DC C1' C -1.216 7.742 0.353 1.00 . B B . 22 DC C1' 1 1 6 2781 2 2 3 DC C2 C -0.984 8.020 -2.144 1.00 . B B . 22 DC C2 1 1 6 2782 2 2 3 DC C2' C -0.579 7.217 1.664 1.00 . B B . 22 DC C2' 1 1 6 2783 2 2 3 DC C3' C -0.153 8.476 2.428 1.00 . B B . 22 DC C3' 1 1 6 2784 2 2 3 DC C4 C 0.367 6.668 -3.416 1.00 . B B . 22 DC C4 1 1 6 2785 2 2 3 DC C4' C -0.108 9.533 1.328 1.00 . B B . 22 DC C4' 1 1 6 2786 2 2 3 DC C5 C 0.655 5.843 -2.315 1.00 . B B . 22 DC C5 1 1 6 2787 2 2 3 DC C5' C 1.174 9.655 0.481 1.00 . B B . 22 DC C5' 1 1 6 2788 2 2 3 DC C6 C 0.192 6.215 -1.097 1.00 . B B . 22 DC C6 1 1 6 2789 2 2 3 DC H1' H -2.261 7.429 0.337 1.00 . B B . 22 DC H1' 1 1 6 2790 2 2 3 DC H2' H 0.295 6.578 1.512 1.00 . B B . 22 DC H2' 1 1 6 2791 2 2 3 DC H2'' H -1.314 6.658 2.239 1.00 . B B . 22 DC H2'' 1 1 6 2792 2 2 3 DC H3' H 0.827 8.341 2.876 1.00 . B B . 22 DC H3' 1 1 6 2793 2 2 3 DC H4' H -0.302 10.501 1.786 1.00 . B B . 22 DC H4' 1 1 6 2794 2 2 3 DC H41 H 0.841 7.092 -5.321 1.00 . B B . 22 DC H41 1 1 6 2795 2 2 3 DC H42 H 1.497 5.592 -4.646 1.00 . B B . 22 DC H42 1 1 6 2796 2 2 3 DC H5 H 1.268 4.961 -2.414 1.00 . B B . 22 DC H5 1 1 6 2797 2 2 3 DC H5' H 0.990 9.307 -0.534 1.00 . B B . 22 DC H5' 1 1 6 2798 2 2 3 DC H5'' H 1.419 10.711 0.403 1.00 . B B . 22 DC H5'' 1 1 6 2799 2 2 3 DC H6 H 0.449 5.606 -0.243 1.00 . B B . 22 DC H6 1 1 6 2800 2 2 3 DC N1 N -0.599 7.337 -0.965 1.00 . B B . 22 DC N1 1 1 6 2801 2 2 3 DC N3 N -0.436 7.707 -3.351 1.00 . B B . 22 DC N3 1 1 6 2802 2 2 3 DC N4 N 0.894 6.411 -4.577 1.00 . B B . 22 DC N4 1 1 6 2803 2 2 3 DC O2 O -1.843 8.900 -2.143 1.00 . B B . 22 DC O2 1 1 6 2804 2 2 3 DC O3' O -1.104 8.890 3.411 1.00 . B B . 22 DC O3' 1 1 6 2805 2 2 3 DC O4' O -1.201 9.155 0.507 1.00 . B B . 22 DC O4' 1 1 6 2806 2 2 3 DC O5' O 2.290 8.954 1.002 1.00 . B B . 22 DC O5' 1 1 6 2807 2 2 3 DC OP1 O 3.911 10.569 -0.005 1.00 . B B . 22 DC OP1 1 1 6 2808 2 2 3 DC OP2 O 4.734 8.592 1.317 1.00 . B B . 22 DC OP2 1 1 6 2809 2 2 3 DC P P 3.748 9.151 0.378 1.00 . B B . 22 DC P 1 1 6 2810 2 2 4 DG C1' C -0.018 3.614 4.873 1.00 . B B . 23 DG C1' 1 1 6 2811 2 2 4 DG C2 C 3.269 6.687 4.351 1.00 . B B . 23 DG C2 1 1 6 2812 2 2 4 DG C2' C -0.910 3.124 6.031 1.00 . B B . 23 DG C2' 1 1 6 2813 2 2 4 DG C3' C -1.759 4.340 6.393 1.00 . B B . 23 DG C3' 1 1 6 2814 2 2 4 DG C4 C 2.331 4.777 5.137 1.00 . B B . 23 DG C4 1 1 6 2815 2 2 4 DG C4' C -1.837 5.055 5.044 1.00 . B B . 23 DG C4' 1 1 6 2816 2 2 4 DG C5 C 3.483 4.419 5.798 1.00 . B B . 23 DG C5 1 1 6 2817 2 2 4 DG C5' C -2.075 6.569 5.076 1.00 . B B . 23 DG C5' 1 1 6 2818 2 2 4 DG C6 C 4.630 5.283 5.736 1.00 . B B . 23 DG C6 1 1 6 2819 2 2 4 DG C8 C 2.086 2.847 6.111 1.00 . B B . 23 DG C8 1 1 6 2820 2 2 4 DG H1 H 5.193 7.058 4.888 1.00 . B B . 23 DG H1 1 1 6 2821 2 2 4 DG H1' H -0.079 2.909 4.044 1.00 . B B . 23 DG H1' 1 1 6 2822 2 2 4 DG H2' H -0.347 2.827 6.911 1.00 . B B . 23 DG H2' 1 1 6 2823 2 2 4 DG H2'' H -1.503 2.250 5.723 1.00 . B B . 23 DG H2'' 1 1 6 2824 2 2 4 DG H21 H 4.100 8.148 3.249 1.00 . B B . 23 DG H21 1 1 6 2825 2 2 4 DG H22 H 2.418 7.889 3.030 1.00 . B B . 23 DG H22 1 1 6 2826 2 2 4 DG H3' H -1.229 4.969 7.111 1.00 . B B . 23 DG H3' 1 1 6 2827 2 2 4 DG H4' H -2.646 4.591 4.484 1.00 . B B . 23 DG H4' 1 1 6 2828 2 2 4 DG H5' H -2.428 6.857 4.086 1.00 . B B . 23 DG H5' 1 1 6 2829 2 2 4 DG H5'' H -2.864 6.816 5.783 1.00 . B B . 23 DG H5'' 1 1 6 2830 2 2 4 DG H8 H 1.645 1.905 6.410 1.00 . B B . 23 DG H8 1 1 6 2831 2 2 4 DG N1 N 4.430 6.406 4.969 1.00 . B B . 23 DG N1 1 1 6 2832 2 2 4 DG N2 N 3.245 7.728 3.580 1.00 . B B . 23 DG N2 1 1 6 2833 2 2 4 DG N3 N 2.182 5.920 4.402 1.00 . B B . 23 DG N3 1 1 6 2834 2 2 4 DG N7 N 3.302 3.194 6.429 1.00 . B B . 23 DG N7 1 1 6 2835 2 2 4 DG N9 N 1.402 3.759 5.349 1.00 . B B . 23 DG N9 1 1 6 2836 2 2 4 DG O3' O -2.993 3.864 6.914 1.00 . B B . 23 DG O3' 1 1 6 2837 2 2 4 DG O4' O -0.608 4.799 4.379 1.00 . B B . 23 DG O4' 1 1 6 2838 2 2 4 DG O5' O -0.896 7.299 5.376 1.00 . B B . 23 DG O5' 1 1 6 2839 2 2 4 DG O6 O 5.730 5.144 6.272 1.00 . B B . 23 DG O6 1 1 6 2840 2 2 4 DG OP1 O -1.781 9.562 5.772 1.00 . B B . 23 DG OP1 1 1 6 2841 2 2 4 DG OP2 O 0.646 9.234 5.156 1.00 . B B . 23 DG OP2 1 1 6 2842 2 2 4 DG P P -0.765 8.835 4.982 1.00 . B B . 23 DG P 1 1 6 2843 2 2 5 DC C1' C -6.903 5.111 2.050 1.00 . B B . 24 DC C1' 1 1 6 2844 2 2 5 DC C2 C -9.337 5.630 2.562 1.00 . B B . 24 DC C2 1 1 6 2845 2 2 5 DC C2' C -6.112 6.400 2.255 1.00 . B B . 24 DC C2' 1 1 6 2846 2 2 5 DC C3' C -5.908 6.426 3.758 1.00 . B B . 24 DC C3' 1 1 6 2847 2 2 5 DC C4 C -10.784 6.158 0.859 1.00 . B B . 24 DC C4 1 1 6 2848 2 2 5 DC C4' C -5.687 4.936 3.995 1.00 . B B . 24 DC C4' 1 1 6 2849 2 2 5 DC C5 C -9.752 6.109 -0.109 1.00 . B B . 24 DC C5 1 1 6 2850 2 2 5 DC C5' C -5.688 4.437 5.445 1.00 . B B . 24 DC C5' 1 1 6 2851 2 2 5 DC C6 C -8.519 5.752 0.318 1.00 . B B . 24 DC C6 1 1 6 2852 2 2 5 DC H1' H -6.436 4.546 1.246 1.00 . B B . 24 DC H1' 1 1 6 2853 2 2 5 DC H2' H -6.629 7.290 1.903 1.00 . B B . 24 DC H2' 1 1 6 2854 2 2 5 DC H2'' H -5.145 6.322 1.758 1.00 . B B . 24 DC H2'' 1 1 6 2855 2 2 5 DC H3' H -6.819 6.728 4.279 1.00 . B B . 24 DC H3' 1 1 6 2856 2 2 5 DC H4' H -4.730 4.668 3.548 1.00 . B B . 24 DC H4' 1 1 6 2857 2 2 5 DC H41 H -12.625 6.712 1.280 1.00 . B B . 24 DC H41 1 1 6 2858 2 2 5 DC H42 H -12.173 6.806 -0.422 1.00 . B B . 24 DC H42 1 1 6 2859 2 2 5 DC H5 H -9.923 6.333 -1.152 1.00 . B B . 24 DC H5 1 1 6 2860 2 2 5 DC H5' H -6.711 4.350 5.811 1.00 . B B . 24 DC H5' 1 1 6 2861 2 2 5 DC H5'' H -5.230 3.445 5.456 1.00 . B B . 24 DC H5'' 1 1 6 2862 2 2 5 DC H6 H -7.689 5.706 -0.376 1.00 . B B . 24 DC H6 1 1 6 2863 2 2 5 DC N1 N -8.295 5.453 1.638 1.00 . B B . 24 DC N1 1 1 6 2864 2 2 5 DC N3 N -10.584 5.951 2.146 1.00 . B B . 24 DC N3 1 1 6 2865 2 2 5 DC N4 N -11.999 6.473 0.520 1.00 . B B . 24 DC N4 1 1 6 2866 2 2 5 DC O2 O -9.184 5.571 3.784 1.00 . B B . 24 DC O2 1 1 6 2867 2 2 5 DC O3' O -4.820 7.299 3.992 1.00 . B B . 24 DC O3' 1 1 6 2868 2 2 5 DC O4' O -6.764 4.365 3.254 1.00 . B B . 24 DC O4' 1 1 6 2869 2 2 5 DC O5' O -4.951 5.331 6.265 1.00 . B B . 24 DC O5' 1 1 6 2870 2 2 5 DC OP1 O -3.473 6.029 8.097 1.00 . B B . 24 DC OP1 1 1 6 2871 2 2 5 DC OP2 O -5.017 4.017 8.367 1.00 . B B . 24 DC OP2 1 1 6 2872 2 2 5 DC P P -4.112 4.828 7.519 1.00 . B B . 24 DC P 1 1 6 2873 2 2 6 DC C1' C -8.951 10.721 1.666 1.00 . B B . 25 DC C1' 1 1 6 2874 2 2 6 DC C2 C -8.367 10.503 -0.754 1.00 . B B . 25 DC C2 1 1 6 2875 2 2 6 DC C2' C -9.768 9.468 1.980 1.00 . B B . 25 DC C2' 1 1 6 2876 2 2 6 DC C3' C -9.208 8.944 3.291 1.00 . B B . 25 DC C3' 1 1 6 2877 2 2 6 DC C4 C -6.248 9.964 -1.452 1.00 . B B . 25 DC C4 1 1 6 2878 2 2 6 DC C4' C -8.629 10.214 3.930 1.00 . B B . 25 DC C4' 1 1 6 2879 2 2 6 DC C5 C -5.781 9.823 -0.118 1.00 . B B . 25 DC C5 1 1 6 2880 2 2 6 DC C5' C -7.400 9.963 4.816 1.00 . B B . 25 DC C5' 1 1 6 2881 2 2 6 DC C6 C -6.672 10.062 0.879 1.00 . B B . 25 DC C6 1 1 6 2882 2 2 6 DC H1' H -9.618 11.523 1.330 1.00 . B B . 25 DC H1' 1 1 6 2883 2 2 6 DC H2' H -9.628 8.730 1.197 1.00 . B B . 25 DC H2' 1 1 6 2884 2 2 6 DC H2'' H -10.821 9.737 2.086 1.00 . B B . 25 DC H2'' 1 1 6 2885 2 2 6 DC H3' H -8.417 8.228 3.053 1.00 . B B . 25 DC H3' 1 1 6 2886 2 2 6 DC H4' H -9.402 10.672 4.543 1.00 . B B . 25 DC H4' 1 1 6 2887 2 2 6 DC H41 H -5.908 9.669 -3.368 1.00 . B B . 25 DC H41 1 1 6 2888 2 2 6 DC H42 H -4.480 9.567 -2.324 1.00 . B B . 25 DC H42 1 1 6 2889 2 2 6 DC H5 H -4.764 9.549 0.117 1.00 . B B . 25 DC H5 1 1 6 2890 2 2 6 DC H5' H -6.904 10.911 5.028 1.00 . B B . 25 DC H5' 1 1 6 2891 2 2 6 DC H5'' H -7.716 9.510 5.754 1.00 . B B . 25 DC H5'' 1 1 6 2892 2 2 6 DC H6 H -6.385 9.972 1.918 1.00 . B B . 25 DC H6 1 1 6 2893 2 2 6 DC HO3' H -10.293 7.399 3.804 1.00 . B B . 25 DC HO3' 1 1 6 2894 2 2 6 DC N1 N -7.955 10.444 0.586 1.00 . B B . 25 DC N1 1 1 6 2895 2 2 6 DC N3 N -7.494 10.254 -1.758 1.00 . B B . 25 DC N3 1 1 6 2896 2 2 6 DC N4 N -5.465 9.707 -2.458 1.00 . B B . 25 DC N4 1 1 6 2897 2 2 6 DC O2 O -9.538 10.734 -1.059 1.00 . B B . 25 DC O2 1 1 6 2898 2 2 6 DC O3' O -10.236 8.336 4.067 1.00 . B B . 25 DC O3' 1 1 6 2899 2 2 6 DC O4' O -8.309 11.114 2.873 1.00 . B B . 25 DC O4' 1 1 6 2900 2 2 6 DC O5' O -6.514 9.086 4.148 1.00 . B B . 25 DC O5' 1 1 6 2901 2 2 6 DC OP1 O -4.147 9.709 4.083 1.00 . B B . 25 DC OP1 1 1 6 2902 2 2 6 DC OP2 O -5.076 8.503 6.144 1.00 . B B . 25 DC OP2 1 1 6 2903 2 2 6 DC P P -5.059 8.719 4.677 1.00 . B B . 25 DC P 1 1 6 2904 3 3 1 ZN ZN ZN 0.347 -3.926 -0.556 1.00 . C A . 26 ZN ZN 1 1 7 2905 1 1 1 LYS C C -4.749 -11.401 4.144 1.00 . A A . 1 LYS C 1 1 7 2906 1 1 1 LYS CA C -6.084 -11.579 4.864 1.00 . A A . 1 LYS CA 1 1 7 2907 1 1 1 LYS CB C -6.039 -12.641 5.983 1.00 . A A . 1 LYS CB 1 1 7 2908 1 1 1 LYS CD C -5.898 -15.117 6.571 1.00 . A A . 1 LYS CD 1 1 7 2909 1 1 1 LYS CE C -5.334 -14.887 7.980 1.00 . A A . 1 LYS CE 1 1 7 2910 1 1 1 LYS CG C -5.557 -14.032 5.537 1.00 . A A . 1 LYS CG 1 1 7 2911 1 1 1 LYS H1 H -7.245 -11.026 3.252 1.00 . A A . 1 LYS H1 1 1 7 2912 1 1 1 LYS H2 H -8.066 -11.869 4.382 1.00 . A A . 1 LYS H2 1 1 7 2913 1 1 1 LYS H3 H -7.038 -12.659 3.359 1.00 . A A . 1 LYS H3 1 1 7 2914 1 1 1 LYS HA H -6.293 -10.623 5.348 1.00 . A A . 1 LYS HA 1 1 7 2915 1 1 1 LYS HB2 H -5.378 -12.278 6.768 1.00 . A A . 1 LYS HB2 1 1 7 2916 1 1 1 LYS HB3 H -7.044 -12.722 6.406 1.00 . A A . 1 LYS HB3 1 1 7 2917 1 1 1 LYS HD2 H -6.984 -15.184 6.647 1.00 . A A . 1 LYS HD2 1 1 7 2918 1 1 1 LYS HD3 H -5.544 -16.075 6.193 1.00 . A A . 1 LYS HD3 1 1 7 2919 1 1 1 LYS HE2 H -5.662 -13.917 8.362 1.00 . A A . 1 LYS HE2 1 1 7 2920 1 1 1 LYS HE3 H -5.760 -15.653 8.634 1.00 . A A . 1 LYS HE3 1 1 7 2921 1 1 1 LYS HG2 H -6.039 -14.293 4.594 1.00 . A A . 1 LYS HG2 1 1 7 2922 1 1 1 LYS HG3 H -4.480 -14.002 5.371 1.00 . A A . 1 LYS HG3 1 1 7 2923 1 1 1 LYS HZ1 H -3.541 -15.139 8.977 1.00 . A A . 1 LYS HZ1 1 1 7 2924 1 1 1 LYS HZ2 H -3.399 -14.154 7.660 1.00 . A A . 1 LYS HZ2 1 1 7 2925 1 1 1 LYS HZ3 H -3.522 -15.763 7.458 1.00 . A A . 1 LYS HZ3 1 1 7 2926 1 1 1 LYS N N -7.180 -11.808 3.897 1.00 . A A . 1 LYS N 1 1 7 2927 1 1 1 LYS NZ N -3.858 -14.986 8.024 1.00 . A A . 1 LYS NZ 1 1 7 2928 1 1 1 LYS O O -4.541 -11.997 3.086 1.00 . A A . 1 LYS O 1 1 7 2929 1 1 2 GLY C C -2.256 -8.760 4.024 1.00 . A A . 2 GLY C 1 1 7 2930 1 1 2 GLY CA C -2.558 -10.260 4.049 1.00 . A A . 2 GLY CA 1 1 7 2931 1 1 2 GLY H H -4.045 -10.133 5.569 1.00 . A A . 2 GLY H 1 1 7 2932 1 1 2 GLY HA2 H -1.752 -10.761 4.584 1.00 . A A . 2 GLY HA2 1 1 7 2933 1 1 2 GLY HA3 H -2.560 -10.622 3.025 1.00 . A A . 2 GLY HA3 1 1 7 2934 1 1 2 GLY N N -3.835 -10.591 4.686 1.00 . A A . 2 GLY N 1 1 7 2935 1 1 2 GLY O O -2.353 -8.091 5.049 1.00 . A A . 2 GLY O 1 1 7 2936 1 1 3 CYS C C -2.981 -6.003 2.959 1.00 . A A . 3 CYS C 1 1 7 2937 1 1 3 CYS CA C -1.695 -6.789 2.639 1.00 . A A . 3 CYS CA 1 1 7 2938 1 1 3 CYS CB C -1.286 -6.516 1.182 1.00 . A A . 3 CYS CB 1 1 7 2939 1 1 3 CYS H H -1.846 -8.829 2.041 1.00 . A A . 3 CYS H 1 1 7 2940 1 1 3 CYS HA H -0.895 -6.453 3.304 1.00 . A A . 3 CYS HA 1 1 7 2941 1 1 3 CYS HB2 H -0.954 -7.451 0.737 1.00 . A A . 3 CYS HB2 1 1 7 2942 1 1 3 CYS HB3 H -2.175 -6.185 0.649 1.00 . A A . 3 CYS HB3 1 1 7 2943 1 1 3 CYS N N -1.894 -8.231 2.845 1.00 . A A . 3 CYS N 1 1 7 2944 1 1 3 CYS O O -4.092 -6.482 2.730 1.00 . A A . 3 CYS O 1 1 7 2945 1 1 3 CYS SG S -0.019 -5.215 1.013 1.00 . A A . 3 CYS SG 1 1 7 2946 1 1 4 TRP C C -4.793 -3.525 2.448 1.00 . A A . 4 TRP C 1 1 7 2947 1 1 4 TRP CA C -3.902 -3.818 3.666 1.00 . A A . 4 TRP CA 1 1 7 2948 1 1 4 TRP CB C -3.260 -2.539 4.204 1.00 . A A . 4 TRP CB 1 1 7 2949 1 1 4 TRP CD1 C -5.224 -0.908 4.234 1.00 . A A . 4 TRP CD1 1 1 7 2950 1 1 4 TRP CD2 C -3.329 -0.080 3.371 1.00 . A A . 4 TRP CD2 1 1 7 2951 1 1 4 TRP CE2 C -4.295 0.957 3.312 1.00 . A A . 4 TRP CE2 1 1 7 2952 1 1 4 TRP CE3 C -2.036 0.187 2.891 1.00 . A A . 4 TRP CE3 1 1 7 2953 1 1 4 TRP CG C -3.944 -1.246 3.960 1.00 . A A . 4 TRP CG 1 1 7 2954 1 1 4 TRP CH2 C -2.684 2.466 2.330 1.00 . A A . 4 TRP CH2 1 1 7 2955 1 1 4 TRP CZ2 C -3.974 2.222 2.817 1.00 . A A . 4 TRP CZ2 1 1 7 2956 1 1 4 TRP CZ3 C -1.729 1.442 2.368 1.00 . A A . 4 TRP CZ3 1 1 7 2957 1 1 4 TRP H H -1.854 -4.435 3.467 1.00 . A A . 4 TRP H 1 1 7 2958 1 1 4 TRP HA H -4.542 -4.243 4.444 1.00 . A A . 4 TRP HA 1 1 7 2959 1 1 4 TRP HB2 H -3.117 -2.610 5.268 1.00 . A A . 4 TRP HB2 1 1 7 2960 1 1 4 TRP HB3 H -2.263 -2.449 3.769 1.00 . A A . 4 TRP HB3 1 1 7 2961 1 1 4 TRP HD1 H -5.971 -1.565 4.670 1.00 . A A . 4 TRP HD1 1 1 7 2962 1 1 4 TRP HE1 H -6.355 0.836 3.846 1.00 . A A . 4 TRP HE1 1 1 7 2963 1 1 4 TRP HE3 H -1.277 -0.580 2.921 1.00 . A A . 4 TRP HE3 1 1 7 2964 1 1 4 TRP HH2 H -2.414 3.444 1.954 1.00 . A A . 4 TRP HH2 1 1 7 2965 1 1 4 TRP HZ2 H -4.711 2.993 2.821 1.00 . A A . 4 TRP HZ2 1 1 7 2966 1 1 4 TRP HZ3 H -0.733 1.611 2.033 1.00 . A A . 4 TRP HZ3 1 1 7 2967 1 1 4 TRP N N -2.810 -4.752 3.372 1.00 . A A . 4 TRP N 1 1 7 2968 1 1 4 TRP NE1 N -5.441 0.396 3.834 1.00 . A A . 4 TRP NE1 1 1 7 2969 1 1 4 TRP O O -6.019 -3.642 2.555 1.00 . A A . 4 TRP O 1 1 7 2970 1 1 5 LYS C C -4.771 -4.006 -0.973 1.00 . A A . 5 LYS C 1 1 7 2971 1 1 5 LYS CA C -4.898 -2.874 0.049 1.00 . A A . 5 LYS CA 1 1 7 2972 1 1 5 LYS CB C -4.531 -1.466 -0.468 1.00 . A A . 5 LYS CB 1 1 7 2973 1 1 5 LYS CD C -3.030 -1.449 -2.568 1.00 . A A . 5 LYS CD 1 1 7 2974 1 1 5 LYS CE C -3.379 -0.126 -3.260 1.00 . A A . 5 LYS CE 1 1 7 2975 1 1 5 LYS CG C -3.114 -1.319 -1.036 1.00 . A A . 5 LYS CG 1 1 7 2976 1 1 5 LYS H H -3.184 -3.033 1.344 1.00 . A A . 5 LYS H 1 1 7 2977 1 1 5 LYS HA H -5.960 -2.814 0.271 1.00 . A A . 5 LYS HA 1 1 7 2978 1 1 5 LYS HB2 H -5.255 -1.169 -1.224 1.00 . A A . 5 LYS HB2 1 1 7 2979 1 1 5 LYS HB3 H -4.639 -0.769 0.366 1.00 . A A . 5 LYS HB3 1 1 7 2980 1 1 5 LYS HD2 H -2.005 -1.718 -2.819 1.00 . A A . 5 LYS HD2 1 1 7 2981 1 1 5 LYS HD3 H -3.681 -2.248 -2.922 1.00 . A A . 5 LYS HD3 1 1 7 2982 1 1 5 LYS HE2 H -4.460 0.038 -3.230 1.00 . A A . 5 LYS HE2 1 1 7 2983 1 1 5 LYS HE3 H -2.916 0.690 -2.701 1.00 . A A . 5 LYS HE3 1 1 7 2984 1 1 5 LYS HG2 H -2.725 -0.343 -0.741 1.00 . A A . 5 LYS HG2 1 1 7 2985 1 1 5 LYS HG3 H -2.476 -2.068 -0.575 1.00 . A A . 5 LYS HG3 1 1 7 2986 1 1 5 LYS HZ1 H -2.945 0.846 -5.050 1.00 . A A . 5 LYS HZ1 1 1 7 2987 1 1 5 LYS HZ2 H -3.385 -0.716 -5.268 1.00 . A A . 5 LYS HZ2 1 1 7 2988 1 1 5 LYS HZ3 H -1.903 -0.380 -4.713 1.00 . A A . 5 LYS HZ3 1 1 7 2989 1 1 5 LYS N N -4.187 -3.164 1.306 1.00 . A A . 5 LYS N 1 1 7 2990 1 1 5 LYS NZ N -2.878 -0.085 -4.658 1.00 . A A . 5 LYS NZ 1 1 7 2991 1 1 5 LYS O O -5.757 -4.337 -1.623 1.00 . A A . 5 LYS O 1 1 7 2992 1 1 6 CYS C C -3.990 -6.901 -2.074 1.00 . A A . 6 CYS C 1 1 7 2993 1 1 6 CYS CA C -3.240 -5.553 -2.161 1.00 . A A . 6 CYS CA 1 1 7 2994 1 1 6 CYS CB C -1.708 -5.729 -2.154 1.00 . A A . 6 CYS CB 1 1 7 2995 1 1 6 CYS H H -2.815 -4.249 -0.583 1.00 . A A . 6 CYS H 1 1 7 2996 1 1 6 CYS HA H -3.519 -5.093 -3.108 1.00 . A A . 6 CYS HA 1 1 7 2997 1 1 6 CYS HB2 H -1.439 -6.502 -1.434 1.00 . A A . 6 CYS HB2 1 1 7 2998 1 1 6 CYS HB3 H -1.423 -6.087 -3.144 1.00 . A A . 6 CYS HB3 1 1 7 2999 1 1 6 CYS N N -3.598 -4.629 -1.088 1.00 . A A . 6 CYS N 1 1 7 3000 1 1 6 CYS O O -4.593 -7.353 -3.048 1.00 . A A . 6 CYS O 1 1 7 3001 1 1 6 CYS SG S -0.841 -4.183 -1.738 1.00 . A A . 6 CYS SG 1 1 7 3002 1 1 7 GLY C C -3.849 -10.068 -0.913 1.00 . A A . 7 GLY C 1 1 7 3003 1 1 7 GLY CA C -4.639 -8.795 -0.604 1.00 . A A . 7 GLY CA 1 1 7 3004 1 1 7 GLY H H -3.416 -7.104 -0.166 1.00 . A A . 7 GLY H 1 1 7 3005 1 1 7 GLY HA2 H -4.918 -8.808 0.452 1.00 . A A . 7 GLY HA2 1 1 7 3006 1 1 7 GLY HA3 H -5.546 -8.825 -1.203 1.00 . A A . 7 GLY HA3 1 1 7 3007 1 1 7 GLY N N -3.927 -7.549 -0.906 1.00 . A A . 7 GLY N 1 1 7 3008 1 1 7 GLY O O -4.390 -10.970 -1.554 1.00 . A A . 7 GLY O 1 1 7 3009 1 1 8 LYS C C -0.586 -11.706 0.000 1.00 . A A . 8 LYS C 1 1 7 3010 1 1 8 LYS CA C -1.591 -11.134 -1.017 1.00 . A A . 8 LYS CA 1 1 7 3011 1 1 8 LYS CB C -0.789 -10.593 -2.207 1.00 . A A . 8 LYS CB 1 1 7 3012 1 1 8 LYS CD C -0.747 -9.581 -4.526 1.00 . A A . 8 LYS CD 1 1 7 3013 1 1 8 LYS CE C -0.137 -8.177 -4.462 1.00 . A A . 8 LYS CE 1 1 7 3014 1 1 8 LYS CG C -1.628 -9.967 -3.333 1.00 . A A . 8 LYS CG 1 1 7 3015 1 1 8 LYS H H -2.177 -9.250 -0.163 1.00 . A A . 8 LYS H 1 1 7 3016 1 1 8 LYS HA H -2.163 -11.997 -1.356 1.00 . A A . 8 LYS HA 1 1 7 3017 1 1 8 LYS HB2 H -0.079 -9.867 -1.818 1.00 . A A . 8 LYS HB2 1 1 7 3018 1 1 8 LYS HB3 H -0.221 -11.419 -2.640 1.00 . A A . 8 LYS HB3 1 1 7 3019 1 1 8 LYS HD2 H 0.044 -10.318 -4.641 1.00 . A A . 8 LYS HD2 1 1 7 3020 1 1 8 LYS HD3 H -1.373 -9.621 -5.416 1.00 . A A . 8 LYS HD3 1 1 7 3021 1 1 8 LYS HE2 H 0.451 -8.014 -5.368 1.00 . A A . 8 LYS HE2 1 1 7 3022 1 1 8 LYS HE3 H -0.947 -7.444 -4.471 1.00 . A A . 8 LYS HE3 1 1 7 3023 1 1 8 LYS HG2 H -2.357 -10.703 -3.672 1.00 . A A . 8 LYS HG2 1 1 7 3024 1 1 8 LYS HG3 H -2.160 -9.082 -2.985 1.00 . A A . 8 LYS HG3 1 1 7 3025 1 1 8 LYS HZ1 H 1.485 -8.662 -3.216 1.00 . A A . 8 LYS HZ1 1 1 7 3026 1 1 8 LYS HZ2 H 0.215 -8.050 -2.403 1.00 . A A . 8 LYS HZ2 1 1 7 3027 1 1 8 LYS HZ3 H 1.178 -7.065 -3.268 1.00 . A A . 8 LYS HZ3 1 1 7 3028 1 1 8 LYS N N -2.549 -10.098 -0.558 1.00 . A A . 8 LYS N 1 1 7 3029 1 1 8 LYS NZ N 0.732 -7.978 -3.270 1.00 . A A . 8 LYS NZ 1 1 7 3030 1 1 8 LYS O O 0.343 -12.409 -0.392 1.00 . A A . 8 LYS O 1 1 7 3031 1 1 9 GLU C C 1.701 -11.457 2.047 1.00 . A A . 9 GLU C 1 1 7 3032 1 1 9 GLU CA C 0.222 -11.823 2.343 1.00 . A A . 9 GLU CA 1 1 7 3033 1 1 9 GLU CB C 0.003 -13.321 2.659 1.00 . A A . 9 GLU CB 1 1 7 3034 1 1 9 GLU CD C -1.826 -15.047 3.024 1.00 . A A . 9 GLU CD 1 1 7 3035 1 1 9 GLU CG C -1.374 -13.603 3.284 1.00 . A A . 9 GLU CG 1 1 7 3036 1 1 9 GLU H H -1.593 -10.960 1.552 1.00 . A A . 9 GLU H 1 1 7 3037 1 1 9 GLU HA H -0.016 -11.277 3.256 1.00 . A A . 9 GLU HA 1 1 7 3038 1 1 9 GLU HB2 H 0.110 -13.900 1.741 1.00 . A A . 9 GLU HB2 1 1 7 3039 1 1 9 GLU HB3 H 0.763 -13.663 3.358 1.00 . A A . 9 GLU HB3 1 1 7 3040 1 1 9 GLU HG2 H -1.327 -13.384 4.352 1.00 . A A . 9 GLU HG2 1 1 7 3041 1 1 9 GLU HG3 H -2.114 -12.931 2.847 1.00 . A A . 9 GLU HG3 1 1 7 3042 1 1 9 GLU N N -0.728 -11.393 1.289 1.00 . A A . 9 GLU N 1 1 7 3043 1 1 9 GLU O O 2.616 -12.234 2.332 1.00 . A A . 9 GLU O 1 1 7 3044 1 1 9 GLU OE1 O -2.394 -15.277 1.926 1.00 . A A . 9 GLU OE1 1 1 7 3045 1 1 9 GLU OE2 O -1.614 -15.931 3.892 1.00 . A A . 9 GLU OE2 1 1 7 3046 1 1 10 GLY C C 4.008 -9.102 2.197 1.00 . A A . 10 GLY C 1 1 7 3047 1 1 10 GLY CA C 3.279 -9.827 1.071 1.00 . A A . 10 GLY CA 1 1 7 3048 1 1 10 GLY H H 1.162 -9.678 1.247 1.00 . A A . 10 GLY H 1 1 7 3049 1 1 10 GLY HA2 H 3.874 -10.673 0.763 1.00 . A A . 10 GLY HA2 1 1 7 3050 1 1 10 GLY HA3 H 3.194 -9.150 0.226 1.00 . A A . 10 GLY HA3 1 1 7 3051 1 1 10 GLY N N 1.941 -10.284 1.449 1.00 . A A . 10 GLY N 1 1 7 3052 1 1 10 GLY O O 5.181 -9.375 2.469 1.00 . A A . 10 GLY O 1 1 7 3053 1 1 11 HIS C C 2.619 -6.682 4.711 1.00 . A A . 11 HIS C 1 1 7 3054 1 1 11 HIS CA C 3.789 -7.354 3.957 1.00 . A A . 11 HIS CA 1 1 7 3055 1 1 11 HIS CB C 4.772 -6.303 3.400 1.00 . A A . 11 HIS CB 1 1 7 3056 1 1 11 HIS CD2 C 3.125 -4.914 2.029 1.00 . A A . 11 HIS CD2 1 1 7 3057 1 1 11 HIS CE1 C 4.112 -4.938 0.082 1.00 . A A . 11 HIS CE1 1 1 7 3058 1 1 11 HIS CG C 4.279 -5.626 2.153 1.00 . A A . 11 HIS CG 1 1 7 3059 1 1 11 HIS H H 2.345 -8.029 2.569 1.00 . A A . 11 HIS H 1 1 7 3060 1 1 11 HIS HA H 4.316 -7.980 4.671 1.00 . A A . 11 HIS HA 1 1 7 3061 1 1 11 HIS HB2 H 4.963 -5.537 4.149 1.00 . A A . 11 HIS HB2 1 1 7 3062 1 1 11 HIS HB3 H 5.722 -6.788 3.182 1.00 . A A . 11 HIS HB3 1 1 7 3063 1 1 11 HIS HD1 H 5.753 -6.127 0.684 1.00 . A A . 11 HIS HD1 1 1 7 3064 1 1 11 HIS HD2 H 2.444 -4.650 2.829 1.00 . A A . 11 HIS HD2 1 1 7 3065 1 1 11 HIS HE1 H 4.343 -4.690 -0.935 1.00 . A A . 11 HIS HE1 1 1 7 3066 1 1 11 HIS N N 3.302 -8.187 2.856 1.00 . A A . 11 HIS N 1 1 7 3067 1 1 11 HIS ND1 N 4.885 -5.640 0.919 1.00 . A A . 11 HIS ND1 1 1 7 3068 1 1 11 HIS NE2 N 2.997 -4.531 0.693 1.00 . A A . 11 HIS NE2 1 1 7 3069 1 1 11 HIS O O 1.448 -7.013 4.502 1.00 . A A . 11 HIS O 1 1 7 3070 1 1 12 GLN C C 2.093 -3.406 5.785 1.00 . A A . 12 GLN C 1 1 7 3071 1 1 12 GLN CA C 2.032 -4.837 6.312 1.00 . A A . 12 GLN CA 1 1 7 3072 1 1 12 GLN CB C 2.407 -4.958 7.800 1.00 . A A . 12 GLN CB 1 1 7 3073 1 1 12 GLN CD C 1.583 -5.394 10.137 1.00 . A A . 12 GLN CD 1 1 7 3074 1 1 12 GLN CG C 1.177 -5.176 8.686 1.00 . A A . 12 GLN CG 1 1 7 3075 1 1 12 GLN H H 3.933 -5.495 5.668 1.00 . A A . 12 GLN H 1 1 7 3076 1 1 12 GLN HA H 0.985 -5.102 6.161 1.00 . A A . 12 GLN HA 1 1 7 3077 1 1 12 GLN HB2 H 3.069 -5.814 7.953 1.00 . A A . 12 GLN HB2 1 1 7 3078 1 1 12 GLN HB3 H 2.957 -4.068 8.104 1.00 . A A . 12 GLN HB3 1 1 7 3079 1 1 12 GLN HE21 H 1.877 -3.419 10.449 1.00 . A A . 12 GLN HE21 1 1 7 3080 1 1 12 GLN HE22 H 2.172 -4.506 11.824 1.00 . A A . 12 GLN HE22 1 1 7 3081 1 1 12 GLN HG2 H 0.519 -4.313 8.623 1.00 . A A . 12 GLN HG2 1 1 7 3082 1 1 12 GLN HG3 H 0.632 -6.054 8.339 1.00 . A A . 12 GLN HG3 1 1 7 3083 1 1 12 GLN N N 2.943 -5.714 5.569 1.00 . A A . 12 GLN N 1 1 7 3084 1 1 12 GLN NE2 N 1.886 -4.346 10.863 1.00 . A A . 12 GLN NE2 1 1 7 3085 1 1 12 GLN O O 2.833 -3.111 4.847 1.00 . A A . 12 GLN O 1 1 7 3086 1 1 12 GLN OE1 O 1.640 -6.519 10.629 1.00 . A A . 12 GLN OE1 1 1 7 3087 1 1 13 MET C C 2.323 -0.389 5.658 1.00 . A A . 13 MET C 1 1 7 3088 1 1 13 MET CA C 1.039 -1.197 5.747 1.00 . A A . 13 MET CA 1 1 7 3089 1 1 13 MET CB C -0.056 -0.431 6.492 1.00 . A A . 13 MET CB 1 1 7 3090 1 1 13 MET CE C -2.765 -3.143 8.218 1.00 . A A . 13 MET CE 1 1 7 3091 1 1 13 MET CG C -1.259 -1.319 6.773 1.00 . A A . 13 MET CG 1 1 7 3092 1 1 13 MET H H 0.715 -2.795 7.137 1.00 . A A . 13 MET H 1 1 7 3093 1 1 13 MET HA H 0.698 -1.325 4.722 1.00 . A A . 13 MET HA 1 1 7 3094 1 1 13 MET HB2 H 0.330 -0.020 7.420 1.00 . A A . 13 MET HB2 1 1 7 3095 1 1 13 MET HB3 H -0.383 0.378 5.841 1.00 . A A . 13 MET HB3 1 1 7 3096 1 1 13 MET HE1 H -3.605 -2.493 8.009 1.00 . A A . 13 MET HE1 1 1 7 3097 1 1 13 MET HE2 H -2.656 -3.847 7.403 1.00 . A A . 13 MET HE2 1 1 7 3098 1 1 13 MET HE3 H -2.950 -3.683 9.143 1.00 . A A . 13 MET HE3 1 1 7 3099 1 1 13 MET HG2 H -2.161 -0.745 6.705 1.00 . A A . 13 MET HG2 1 1 7 3100 1 1 13 MET HG3 H -1.307 -2.029 5.962 1.00 . A A . 13 MET HG3 1 1 7 3101 1 1 13 MET N N 1.262 -2.520 6.330 1.00 . A A . 13 MET N 1 1 7 3102 1 1 13 MET O O 2.489 0.291 4.653 1.00 . A A . 13 MET O 1 1 7 3103 1 1 13 MET SD S -1.264 -2.162 8.370 1.00 . A A . 13 MET SD 1 1 7 3104 1 1 14 LYS C C 5.480 -0.362 5.507 1.00 . A A . 14 LYS C 1 1 7 3105 1 1 14 LYS CA C 4.572 0.072 6.659 1.00 . A A . 14 LYS CA 1 1 7 3106 1 1 14 LYS CB C 5.244 -0.273 8.003 1.00 . A A . 14 LYS CB 1 1 7 3107 1 1 14 LYS CD C 4.733 1.931 9.231 1.00 . A A . 14 LYS CD 1 1 7 3108 1 1 14 LYS CE C 3.525 2.632 9.850 1.00 . A A . 14 LYS CE 1 1 7 3109 1 1 14 LYS CG C 4.578 0.400 9.210 1.00 . A A . 14 LYS CG 1 1 7 3110 1 1 14 LYS H H 2.968 -1.121 7.417 1.00 . A A . 14 LYS H 1 1 7 3111 1 1 14 LYS HA H 4.492 1.148 6.540 1.00 . A A . 14 LYS HA 1 1 7 3112 1 1 14 LYS HB2 H 5.200 -1.353 8.143 1.00 . A A . 14 LYS HB2 1 1 7 3113 1 1 14 LYS HB3 H 6.298 0.000 7.964 1.00 . A A . 14 LYS HB3 1 1 7 3114 1 1 14 LYS HD2 H 5.622 2.185 9.810 1.00 . A A . 14 LYS HD2 1 1 7 3115 1 1 14 LYS HD3 H 4.888 2.329 8.229 1.00 . A A . 14 LYS HD3 1 1 7 3116 1 1 14 LYS HE2 H 3.342 2.235 10.850 1.00 . A A . 14 LYS HE2 1 1 7 3117 1 1 14 LYS HE3 H 3.761 3.694 9.940 1.00 . A A . 14 LYS HE3 1 1 7 3118 1 1 14 LYS HG2 H 3.525 0.132 9.207 1.00 . A A . 14 LYS HG2 1 1 7 3119 1 1 14 LYS HG3 H 5.011 -0.008 10.123 1.00 . A A . 14 LYS HG3 1 1 7 3120 1 1 14 LYS HZ1 H 2.530 2.612 8.040 1.00 . A A . 14 LYS HZ1 1 1 7 3121 1 1 14 LYS HZ2 H 1.604 3.156 9.257 1.00 . A A . 14 LYS HZ2 1 1 7 3122 1 1 14 LYS HZ3 H 1.869 1.568 9.174 1.00 . A A . 14 LYS HZ3 1 1 7 3123 1 1 14 LYS N N 3.223 -0.519 6.642 1.00 . A A . 14 LYS N 1 1 7 3124 1 1 14 LYS NZ N 2.310 2.466 9.022 1.00 . A A . 14 LYS NZ 1 1 7 3125 1 1 14 LYS O O 6.529 0.245 5.299 1.00 . A A . 14 LYS O 1 1 7 3126 1 1 15 ASP C C 5.037 -1.898 2.297 1.00 . A A . 15 ASP C 1 1 7 3127 1 1 15 ASP CA C 5.856 -1.867 3.591 1.00 . A A . 15 ASP CA 1 1 7 3128 1 1 15 ASP CB C 6.486 -3.214 3.917 1.00 . A A . 15 ASP CB 1 1 7 3129 1 1 15 ASP CG C 7.963 -3.022 4.238 1.00 . A A . 15 ASP CG 1 1 7 3130 1 1 15 ASP H H 4.308 -1.951 5.048 1.00 . A A . 15 ASP H 1 1 7 3131 1 1 15 ASP HA H 6.662 -1.174 3.388 1.00 . A A . 15 ASP HA 1 1 7 3132 1 1 15 ASP HB2 H 5.957 -3.661 4.758 1.00 . A A . 15 ASP HB2 1 1 7 3133 1 1 15 ASP HB3 H 6.393 -3.879 3.063 1.00 . A A . 15 ASP HB3 1 1 7 3134 1 1 15 ASP N N 5.120 -1.409 4.771 1.00 . A A . 15 ASP N 1 1 7 3135 1 1 15 ASP O O 5.621 -2.064 1.217 1.00 . A A . 15 ASP O 1 1 7 3136 1 1 15 ASP OD1 O 8.304 -2.365 5.246 1.00 . A A . 15 ASP OD1 1 1 7 3137 1 1 15 ASP OD2 O 8.809 -3.476 3.432 1.00 . A A . 15 ASP OD2 1 1 7 3138 1 1 16 CYS C C 2.773 0.000 0.931 1.00 . A A . 16 CYS C 1 1 7 3139 1 1 16 CYS CA C 2.791 -1.480 1.333 1.00 . A A . 16 CYS CA 1 1 7 3140 1 1 16 CYS CB C 1.428 -2.050 1.770 1.00 . A A . 16 CYS CB 1 1 7 3141 1 1 16 CYS H H 3.364 -1.609 3.360 1.00 . A A . 16 CYS H 1 1 7 3142 1 1 16 CYS HA H 3.151 -2.060 0.494 1.00 . A A . 16 CYS HA 1 1 7 3143 1 1 16 CYS HB2 H 1.531 -3.066 2.096 1.00 . A A . 16 CYS HB2 1 1 7 3144 1 1 16 CYS HB3 H 1.134 -1.564 2.675 1.00 . A A . 16 CYS HB3 1 1 7 3145 1 1 16 CYS N N 3.726 -1.683 2.421 1.00 . A A . 16 CYS N 1 1 7 3146 1 1 16 CYS O O 3.284 0.350 -0.127 1.00 . A A . 16 CYS O 1 1 7 3147 1 1 16 CYS SG S 0.145 -1.981 0.506 1.00 . A A . 16 CYS SG 1 1 7 3148 1 1 17 THR C C 1.095 2.637 0.384 1.00 . A A . 17 THR C 1 1 7 3149 1 1 17 THR CA C 1.925 2.279 1.625 1.00 . A A . 17 THR CA 1 1 7 3150 1 1 17 THR CB C 3.138 3.209 1.890 1.00 . A A . 17 THR CB 1 1 7 3151 1 1 17 THR CG2 C 4.165 2.568 2.807 1.00 . A A . 17 THR CG2 1 1 7 3152 1 1 17 THR H H 1.989 0.442 2.704 1.00 . A A . 17 THR H 1 1 7 3153 1 1 17 THR HA H 1.257 2.519 2.443 1.00 . A A . 17 THR HA 1 1 7 3154 1 1 17 THR HB H 2.771 4.122 2.359 1.00 . A A . 17 THR HB 1 1 7 3155 1 1 17 THR HG1 H 4.708 3.976 1.085 1.00 . A A . 17 THR HG1 1 1 7 3156 1 1 17 THR HG21 H 4.657 1.761 2.261 1.00 . A A . 17 THR HG21 1 1 7 3157 1 1 17 THR HG22 H 3.671 2.182 3.688 1.00 . A A . 17 THR HG22 1 1 7 3158 1 1 17 THR HG23 H 4.894 3.304 3.121 1.00 . A A . 17 THR HG23 1 1 7 3159 1 1 17 THR N N 2.198 0.838 1.799 1.00 . A A . 17 THR N 1 1 7 3160 1 1 17 THR O O 0.939 3.809 0.076 1.00 . A A . 17 THR O 1 1 7 3161 1 1 17 THR OG1 O 3.883 3.582 0.765 1.00 . A A . 17 THR OG1 1 1 7 3162 1 1 18 GLU C C -1.381 2.586 -1.885 1.00 . A A . 18 GLU C 1 1 7 3163 1 1 18 GLU CA C -0.005 1.889 -1.690 1.00 . A A . 18 GLU CA 1 1 7 3164 1 1 18 GLU CB C -0.051 0.556 -2.463 1.00 . A A . 18 GLU CB 1 1 7 3165 1 1 18 GLU CD C 2.194 0.598 -3.784 1.00 . A A . 18 GLU CD 1 1 7 3166 1 1 18 GLU CG C 1.281 -0.118 -2.774 1.00 . A A . 18 GLU CG 1 1 7 3167 1 1 18 GLU H H 0.546 0.713 0.012 1.00 . A A . 18 GLU H 1 1 7 3168 1 1 18 GLU HA H 0.771 2.517 -2.135 1.00 . A A . 18 GLU HA 1 1 7 3169 1 1 18 GLU HB2 H -0.642 -0.143 -1.874 1.00 . A A . 18 GLU HB2 1 1 7 3170 1 1 18 GLU HB3 H -0.553 0.693 -3.419 1.00 . A A . 18 GLU HB3 1 1 7 3171 1 1 18 GLU HG2 H 1.791 -0.261 -1.832 1.00 . A A . 18 GLU HG2 1 1 7 3172 1 1 18 GLU HG3 H 1.071 -1.122 -3.159 1.00 . A A . 18 GLU HG3 1 1 7 3173 1 1 18 GLU N N 0.464 1.673 -0.309 1.00 . A A . 18 GLU N 1 1 7 3174 1 1 18 GLU O O -1.770 2.794 -3.034 1.00 . A A . 18 GLU O 1 1 7 3175 1 1 18 GLU OE1 O 1.797 1.668 -4.354 1.00 . A A . 18 GLU OE1 1 1 7 3176 1 1 18 GLU OE2 O 3.280 0.055 -4.045 1.00 . A A . 18 GLU OE2 1 1 7 3177 1 1 19 ARG C C -4.567 2.567 -1.435 1.00 . A A . 19 ARG C 1 1 7 3178 1 1 19 ARG CA C -3.503 3.518 -0.865 1.00 . A A . 19 ARG CA 1 1 7 3179 1 1 19 ARG CB C -3.466 4.871 -1.599 1.00 . A A . 19 ARG CB 1 1 7 3180 1 1 19 ARG CD C -4.446 7.123 -2.140 1.00 . A A . 19 ARG CD 1 1 7 3181 1 1 19 ARG CG C -4.601 5.844 -1.294 1.00 . A A . 19 ARG CG 1 1 7 3182 1 1 19 ARG CZ C -5.775 6.854 -4.242 1.00 . A A . 19 ARG CZ 1 1 7 3183 1 1 19 ARG H H -1.749 2.688 0.075 1.00 . A A . 19 ARG H 1 1 7 3184 1 1 19 ARG HA H -3.807 3.706 0.167 1.00 . A A . 19 ARG HA 1 1 7 3185 1 1 19 ARG HB2 H -2.547 5.366 -1.335 1.00 . A A . 19 ARG HB2 1 1 7 3186 1 1 19 ARG HB3 H -3.454 4.694 -2.673 1.00 . A A . 19 ARG HB3 1 1 7 3187 1 1 19 ARG HD2 H -4.372 7.978 -1.468 1.00 . A A . 19 ARG HD2 1 1 7 3188 1 1 19 ARG HD3 H -3.526 7.088 -2.726 1.00 . A A . 19 ARG HD3 1 1 7 3189 1 1 19 ARG HE H -6.239 8.086 -2.754 1.00 . A A . 19 ARG HE 1 1 7 3190 1 1 19 ARG HG2 H -5.563 5.376 -1.491 1.00 . A A . 19 ARG HG2 1 1 7 3191 1 1 19 ARG HG3 H -4.547 6.112 -0.239 1.00 . A A . 19 ARG HG3 1 1 7 3192 1 1 19 ARG HH11 H -4.101 5.718 -4.358 1.00 . A A . 19 ARG HH11 1 1 7 3193 1 1 19 ARG HH12 H -5.090 5.747 -5.775 1.00 . A A . 19 ARG HH12 1 1 7 3194 1 1 19 ARG HH21 H -7.459 7.899 -4.546 1.00 . A A . 19 ARG HH21 1 1 7 3195 1 1 19 ARG HH22 H -7.041 6.733 -5.796 1.00 . A A . 19 ARG HH22 1 1 7 3196 1 1 19 ARG N N -2.129 2.942 -0.825 1.00 . A A . 19 ARG N 1 1 7 3197 1 1 19 ARG NE N -5.584 7.366 -3.041 1.00 . A A . 19 ARG NE 1 1 7 3198 1 1 19 ARG NH1 N -4.956 6.008 -4.805 1.00 . A A . 19 ARG NH1 1 1 7 3199 1 1 19 ARG NH2 N -6.833 7.197 -4.916 1.00 . A A . 19 ARG NH2 1 1 7 3200 1 1 19 ARG O O -4.975 2.695 -2.611 1.00 . A A . 19 ARG O 1 1 7 3201 1 1 19 ARG OXT O -5.072 1.724 -0.674 1.00 . A A . 19 ARG OXT 1 1 7 3202 2 2 1 DT C1' C 10.496 3.757 -1.299 1.00 . B B . 20 DT C1' 1 1 7 3203 2 2 1 DT C2 C 12.105 2.514 -2.817 1.00 . B B . 20 DT C2 1 1 7 3204 2 2 1 DT C2' C 8.972 3.941 -1.295 1.00 . B B . 20 DT C2' 1 1 7 3205 2 2 1 DT C3' C 8.598 3.814 0.174 1.00 . B B . 20 DT C3' 1 1 7 3206 2 2 1 DT C4 C 11.948 2.745 -5.255 1.00 . B B . 20 DT C4 1 1 7 3207 2 2 1 DT C4' C 9.749 2.987 0.753 1.00 . B B . 20 DT C4' 1 1 7 3208 2 2 1 DT C5 C 10.911 3.746 -5.034 1.00 . B B . 20 DT C5 1 1 7 3209 2 2 1 DT C5' C 9.294 1.651 1.361 1.00 . B B . 20 DT C5' 1 1 7 3210 2 2 1 DT C6 C 10.490 4.039 -3.776 1.00 . B B . 20 DT C6 1 1 7 3211 2 2 1 DT C7 C 10.279 4.464 -6.213 1.00 . B B . 20 DT C7 1 1 7 3212 2 2 1 DT H1' H 10.970 4.683 -0.963 1.00 . B B . 20 DT H1' 1 1 7 3213 2 2 1 DT H2' H 8.495 3.137 -1.858 1.00 . B B . 20 DT H2' 1 1 7 3214 2 2 1 DT H2'' H 8.672 4.912 -1.689 1.00 . B B . 20 DT H2'' 1 1 7 3215 2 2 1 DT H3 H 13.199 1.510 -4.212 1.00 . B B . 20 DT H3 1 1 7 3216 2 2 1 DT H3' H 7.642 3.289 0.281 1.00 . B B . 20 DT H3' 1 1 7 3217 2 2 1 DT H4' H 10.230 3.577 1.534 1.00 . B B . 20 DT H4' 1 1 7 3218 2 2 1 DT H5' H 10.095 1.262 1.993 1.00 . B B . 20 DT H5' 1 1 7 3219 2 2 1 DT H5'' H 8.423 1.830 1.996 1.00 . B B . 20 DT H5'' 1 1 7 3220 2 2 1 DT H6 H 9.718 4.787 -3.655 1.00 . B B . 20 DT H6 1 1 7 3221 2 2 1 DT H71 H 9.937 3.734 -6.948 1.00 . B B . 20 DT H71 1 1 7 3222 2 2 1 DT H72 H 11.026 5.102 -6.684 1.00 . B B . 20 DT H72 1 1 7 3223 2 2 1 DT H73 H 9.433 5.077 -5.897 1.00 . B B . 20 DT H73 1 1 7 3224 2 2 1 DT HO5' H 8.666 -0.134 0.788 1.00 . B B . 20 DT HO5' 1 1 7 3225 2 2 1 DT N1 N 11.024 3.411 -2.663 1.00 . B B . 20 DT N1 1 1 7 3226 2 2 1 DT N3 N 12.486 2.216 -4.106 1.00 . B B . 20 DT N3 1 1 7 3227 2 2 1 DT O2 O 12.742 1.987 -1.902 1.00 . B B . 20 DT O2 1 1 7 3228 2 2 1 DT O3' O 8.568 5.105 0.770 1.00 . B B . 20 DT O3' 1 1 7 3229 2 2 1 DT O4 O 12.357 2.355 -6.348 1.00 . B B . 20 DT O4 1 1 7 3230 2 2 1 DT O4' O 10.678 2.764 -0.302 1.00 . B B . 20 DT O4' 1 1 7 3231 2 2 1 DT O5' O 8.971 0.695 0.357 1.00 . B B . 20 DT O5' 1 1 7 3232 2 2 2 DA C1' C 4.961 5.874 -3.653 1.00 . B B . 21 DA C1' 1 1 7 3233 2 2 2 DA C2 C 7.323 2.569 -5.403 1.00 . B B . 21 DA C2 1 1 7 3234 2 2 2 DA C2' C 3.707 6.430 -2.969 1.00 . B B . 21 DA C2' 1 1 7 3235 2 2 2 DA C3' C 4.209 7.098 -1.698 1.00 . B B . 21 DA C3' 1 1 7 3236 2 2 2 DA C4 C 6.014 3.547 -3.879 1.00 . B B . 21 DA C4 1 1 7 3237 2 2 2 DA C4' C 5.654 7.455 -2.093 1.00 . B B . 21 DA C4' 1 1 7 3238 2 2 2 DA C5 C 5.937 2.413 -3.119 1.00 . B B . 21 DA C5 1 1 7 3239 2 2 2 DA C5' C 6.666 7.290 -0.953 1.00 . B B . 21 DA C5' 1 1 7 3240 2 2 2 DA C6 C 6.673 1.324 -3.618 1.00 . B B . 21 DA C6 1 1 7 3241 2 2 2 DA C8 C 4.694 3.816 -2.157 1.00 . B B . 21 DA C8 1 1 7 3242 2 2 2 DA H1' H 4.850 5.903 -4.741 1.00 . B B . 21 DA H1' 1 1 7 3243 2 2 2 DA H2 H 7.884 2.611 -6.330 1.00 . B B . 21 DA H2 1 1 7 3244 2 2 2 DA H2' H 2.966 5.667 -2.748 1.00 . B B . 21 DA H2' 1 1 7 3245 2 2 2 DA H2'' H 3.236 7.153 -3.604 1.00 . B B . 21 DA H2'' 1 1 7 3246 2 2 2 DA H3' H 4.185 6.387 -0.869 1.00 . B B . 21 DA H3' 1 1 7 3247 2 2 2 DA H4' H 5.664 8.503 -2.388 1.00 . B B . 21 DA H4' 1 1 7 3248 2 2 2 DA H5' H 7.682 7.337 -1.341 1.00 . B B . 21 DA H5' 1 1 7 3249 2 2 2 DA H5'' H 6.520 8.124 -0.271 1.00 . B B . 21 DA H5'' 1 1 7 3250 2 2 2 DA H61 H 7.163 -0.650 -3.505 1.00 . B B . 21 DA H61 1 1 7 3251 2 2 2 DA H62 H 6.136 0.013 -2.223 1.00 . B B . 21 DA H62 1 1 7 3252 2 2 2 DA H8 H 3.989 4.305 -1.499 1.00 . B B . 21 DA H8 1 1 7 3253 2 2 2 DA N1 N 7.349 1.404 -4.765 1.00 . B B . 21 DA N1 1 1 7 3254 2 2 2 DA N3 N 6.690 3.685 -5.057 1.00 . B B . 21 DA N3 1 1 7 3255 2 2 2 DA N6 N 6.724 0.141 -3.036 1.00 . B B . 21 DA N6 1 1 7 3256 2 2 2 DA N7 N 5.095 2.581 -2.029 1.00 . B B . 21 DA N7 1 1 7 3257 2 2 2 DA N9 N 5.233 4.482 -3.227 1.00 . B B . 21 DA N9 1 1 7 3258 2 2 2 DA O3' O 3.412 8.238 -1.407 1.00 . B B . 21 DA O3' 1 1 7 3259 2 2 2 DA O4' O 6.037 6.704 -3.245 1.00 . B B . 21 DA O4' 1 1 7 3260 2 2 2 DA O5' O 6.474 6.071 -0.251 1.00 . B B . 21 DA O5' 1 1 7 3261 2 2 2 DA OP1 O 7.489 7.058 1.822 1.00 . B B . 21 DA OP1 1 1 7 3262 2 2 2 DA OP2 O 6.385 4.776 1.890 1.00 . B B . 21 DA OP2 1 1 7 3263 2 2 2 DA P P 7.170 5.775 1.149 1.00 . B B . 21 DA P 1 1 7 3264 2 2 3 DC C1' C -1.426 7.753 -0.307 1.00 . B B . 22 DC C1' 1 1 7 3265 2 2 3 DC C2 C -0.665 8.207 -2.688 1.00 . B B . 22 DC C2 1 1 7 3266 2 2 3 DC C2' C -1.026 7.113 1.046 1.00 . B B . 22 DC C2' 1 1 7 3267 2 2 3 DC C3' C -0.622 8.295 1.941 1.00 . B B . 22 DC C3' 1 1 7 3268 2 2 3 DC C4 C 0.364 6.596 -3.958 1.00 . B B . 22 DC C4 1 1 7 3269 2 2 3 DC C4' C -0.485 9.454 0.959 1.00 . B B . 22 DC C4' 1 1 7 3270 2 2 3 DC C5 C 0.295 5.662 -2.901 1.00 . B B . 22 DC C5 1 1 7 3271 2 2 3 DC C5' C 0.915 9.738 0.398 1.00 . B B . 22 DC C5' 1 1 7 3272 2 2 3 DC C6 C -0.186 6.095 -1.711 1.00 . B B . 22 DC C6 1 1 7 3273 2 2 3 DC H1' H -2.460 7.477 -0.490 1.00 . B B . 22 DC H1' 1 1 7 3274 2 2 3 DC H2' H -0.203 6.395 0.977 1.00 . B B . 22 DC H2' 1 1 7 3275 2 2 3 DC H2'' H -1.880 6.592 1.478 1.00 . B B . 22 DC H2'' 1 1 7 3276 2 2 3 DC H3' H 0.320 8.083 2.446 1.00 . B B . 22 DC H3' 1 1 7 3277 2 2 3 DC H4' H -0.825 10.366 1.441 1.00 . B B . 22 DC H4' 1 1 7 3278 2 2 3 DC H41 H 1.018 6.949 -5.810 1.00 . B B . 22 DC H41 1 1 7 3279 2 2 3 DC H42 H 0.967 5.253 -5.305 1.00 . B B . 22 DC H42 1 1 7 3280 2 2 3 DC H5 H 0.630 4.643 -3.014 1.00 . B B . 22 DC H5 1 1 7 3281 2 2 3 DC H5' H 0.821 9.980 -0.655 1.00 . B B . 22 DC H5' 1 1 7 3282 2 2 3 DC H5'' H 1.299 10.615 0.915 1.00 . B B . 22 DC H5'' 1 1 7 3283 2 2 3 DC H6 H -0.266 5.402 -0.893 1.00 . B B . 22 DC H6 1 1 7 3284 2 2 3 DC N1 N -0.649 7.376 -1.548 1.00 . B B . 22 DC N1 1 1 7 3285 2 2 3 DC N3 N -0.094 7.825 -3.857 1.00 . B B . 22 DC N3 1 1 7 3286 2 2 3 DC N4 N 0.850 6.242 -5.111 1.00 . B B . 22 DC N4 1 1 7 3287 2 2 3 DC O2 O -1.262 9.284 -2.730 1.00 . B B . 22 DC O2 1 1 7 3288 2 2 3 DC O3' O -1.649 8.660 2.862 1.00 . B B . 22 DC O3' 1 1 7 3289 2 2 3 DC O4' O -1.411 9.147 -0.063 1.00 . B B . 22 DC O4' 1 1 7 3290 2 2 3 DC O5' O 1.873 8.707 0.543 1.00 . B B . 22 DC O5' 1 1 7 3291 2 2 3 DC OP1 O 3.638 10.359 -0.159 1.00 . B B . 22 DC OP1 1 1 7 3292 2 2 3 DC OP2 O 4.287 8.192 0.964 1.00 . B B . 22 DC OP2 1 1 7 3293 2 2 3 DC P P 3.385 8.912 0.050 1.00 . B B . 22 DC P 1 1 7 3294 2 2 4 DG C1' C -0.508 3.613 4.573 1.00 . B B . 23 DG C1' 1 1 7 3295 2 2 4 DG C2 C 2.672 6.785 4.322 1.00 . B B . 23 DG C2 1 1 7 3296 2 2 4 DG C2' C -1.493 3.089 5.631 1.00 . B B . 23 DG C2' 1 1 7 3297 2 2 4 DG C3' C -2.489 4.229 5.825 1.00 . B B . 23 DG C3' 1 1 7 3298 2 2 4 DG C4 C 1.772 4.823 4.984 1.00 . B B . 23 DG C4 1 1 7 3299 2 2 4 DG C4' C -2.360 5.007 4.516 1.00 . B B . 23 DG C4' 1 1 7 3300 2 2 4 DG C5 C 2.959 4.383 5.541 1.00 . B B . 23 DG C5 1 1 7 3301 2 2 4 DG C5' C -2.603 6.512 4.612 1.00 . B B . 23 DG C5' 1 1 7 3302 2 2 4 DG C6 C 4.128 5.215 5.414 1.00 . B B . 23 DG C6 1 1 7 3303 2 2 4 DG C8 C 1.552 2.837 5.855 1.00 . B B . 23 DG C8 1 1 7 3304 2 2 4 DG H1 H 4.642 7.068 4.720 1.00 . B B . 23 DG H1 1 1 7 3305 2 2 4 DG H1' H -0.450 2.889 3.765 1.00 . B B . 23 DG H1' 1 1 7 3306 2 2 4 DG H2' H -1.009 2.869 6.580 1.00 . B B . 23 DG H2' 1 1 7 3307 2 2 4 DG H2'' H -1.966 2.166 5.271 1.00 . B B . 23 DG H2'' 1 1 7 3308 2 2 4 DG H21 H 3.344 8.644 3.985 1.00 . B B . 23 DG H21 1 1 7 3309 2 2 4 DG H22 H 1.604 8.382 3.825 1.00 . B B . 23 DG H22 1 1 7 3310 2 2 4 DG H3' H -2.158 4.862 6.644 1.00 . B B . 23 DG H3' 1 1 7 3311 2 2 4 DG H4' H -3.099 4.600 3.830 1.00 . B B . 23 DG H4' 1 1 7 3312 2 2 4 DG H5' H -3.030 6.821 3.661 1.00 . B B . 23 DG H5' 1 1 7 3313 2 2 4 DG H5'' H -3.332 6.711 5.382 1.00 . B B . 23 DG H5'' 1 1 7 3314 2 2 4 DG H8 H 1.097 1.897 6.128 1.00 . B B . 23 DG H8 1 1 7 3315 2 2 4 DG N1 N 3.888 6.410 4.776 1.00 . B B . 23 DG N1 1 1 7 3316 2 2 4 DG N2 N 2.541 8.039 3.996 1.00 . B B . 23 DG N2 1 1 7 3317 2 2 4 DG N3 N 1.572 6.042 4.394 1.00 . B B . 23 DG N3 1 1 7 3318 2 2 4 DG N7 N 2.785 3.132 6.148 1.00 . B B . 23 DG N7 1 1 7 3319 2 2 4 DG N9 N 0.864 3.785 5.144 1.00 . B B . 23 DG N9 1 1 7 3320 2 2 4 DG O3' O -3.769 3.652 6.073 1.00 . B B . 23 DG O3' 1 1 7 3321 2 2 4 DG O4' O -1.065 4.774 3.997 1.00 . B B . 23 DG O4' 1 1 7 3322 2 2 4 DG O5' O -1.439 7.280 4.885 1.00 . B B . 23 DG O5' 1 1 7 3323 2 2 4 DG O6 O 5.283 5.009 5.794 1.00 . B B . 23 DG O6 1 1 7 3324 2 2 4 DG OP1 O -2.506 9.509 5.066 1.00 . B B . 23 DG OP1 1 1 7 3325 2 2 4 DG OP2 O 0.007 9.327 4.623 1.00 . B B . 23 DG OP2 1 1 7 3326 2 2 4 DG P P -1.366 8.803 4.435 1.00 . B B . 23 DG P 1 1 7 3327 2 2 5 DC C1' C -6.529 4.544 1.330 1.00 . B B . 24 DC C1' 1 1 7 3328 2 2 5 DC C2 C -7.954 2.634 0.608 1.00 . B B . 24 DC C2 1 1 7 3329 2 2 5 DC C2' C -7.519 5.676 1.143 1.00 . B B . 24 DC C2' 1 1 7 3330 2 2 5 DC C3' C -7.638 6.281 2.522 1.00 . B B . 24 DC C3' 1 1 7 3331 2 2 5 DC C4 C -8.923 1.156 2.053 1.00 . B B . 24 DC C4 1 1 7 3332 2 2 5 DC C4' C -6.183 6.209 2.970 1.00 . B B . 24 DC C4' 1 1 7 3333 2 2 5 DC C5 C -8.285 1.763 3.178 1.00 . B B . 24 DC C5 1 1 7 3334 2 2 5 DC C5' C -6.010 6.173 4.500 1.00 . B B . 24 DC C5' 1 1 7 3335 2 2 5 DC C6 C -7.472 2.831 2.942 1.00 . B B . 24 DC C6 1 1 7 3336 2 2 5 DC H1' H -5.989 4.348 0.402 1.00 . B B . 24 DC H1' 1 1 7 3337 2 2 5 DC H2' H -8.442 5.288 0.754 1.00 . B B . 24 DC H2' 1 1 7 3338 2 2 5 DC H2'' H -7.132 6.425 0.484 1.00 . B B . 24 DC H2'' 1 1 7 3339 2 2 5 DC H3' H -8.213 5.621 3.145 1.00 . B B . 24 DC H3' 1 1 7 3340 2 2 5 DC H4' H -5.669 7.089 2.586 1.00 . B B . 24 DC H4' 1 1 7 3341 2 2 5 DC H41 H -10.165 -0.216 1.356 1.00 . B B . 24 DC H41 1 1 7 3342 2 2 5 DC H42 H -10.052 -0.164 3.100 1.00 . B B . 24 DC H42 1 1 7 3343 2 2 5 DC H5 H -8.440 1.396 4.184 1.00 . B B . 24 DC H5 1 1 7 3344 2 2 5 DC H5' H -5.263 6.907 4.780 1.00 . B B . 24 DC H5' 1 1 7 3345 2 2 5 DC H5'' H -6.940 6.463 4.988 1.00 . B B . 24 DC H5'' 1 1 7 3346 2 2 5 DC H6 H -6.970 3.334 3.758 1.00 . B B . 24 DC H6 1 1 7 3347 2 2 5 DC N1 N -7.286 3.286 1.659 1.00 . B B . 24 DC N1 1 1 7 3348 2 2 5 DC N3 N -8.769 1.578 0.819 1.00 . B B . 24 DC N3 1 1 7 3349 2 2 5 DC N4 N -9.749 0.162 2.192 1.00 . B B . 24 DC N4 1 1 7 3350 2 2 5 DC O2 O -7.879 3.032 -0.553 1.00 . B B . 24 DC O2 1 1 7 3351 2 2 5 DC O3' O -8.207 7.585 2.504 1.00 . B B . 24 DC O3' 1 1 7 3352 2 2 5 DC O4' O -5.643 5.050 2.325 1.00 . B B . 24 DC O4' 1 1 7 3353 2 2 5 DC O5' O -5.621 4.871 4.919 1.00 . B B . 24 DC O5' 1 1 7 3354 2 2 5 DC OP1 O -4.720 5.708 7.142 1.00 . B B . 24 DC OP1 1 1 7 3355 2 2 5 DC OP2 O -6.068 3.546 6.960 1.00 . B B . 24 DC OP2 1 1 7 3356 2 2 5 DC P P -5.093 4.497 6.374 1.00 . B B . 24 DC P 1 1 7 3357 2 2 6 DC C1' C -11.868 3.869 5.354 1.00 . B B . 25 DC C1' 1 1 7 3358 2 2 6 DC C2 C -13.043 2.033 4.127 1.00 . B B . 25 DC C2 1 1 7 3359 2 2 6 DC C2' C -10.444 3.489 5.782 1.00 . B B . 25 DC C2' 1 1 7 3360 2 2 6 DC C3' C -9.600 4.696 5.403 1.00 . B B . 25 DC C3' 1 1 7 3361 2 2 6 DC C4 C -12.968 1.844 1.845 1.00 . B B . 25 DC C4 1 1 7 3362 2 2 6 DC C4' C -10.638 5.805 5.565 1.00 . B B . 25 DC C4' 1 1 7 3363 2 2 6 DC C5 C -12.195 3.028 1.718 1.00 . B B . 25 DC C5 1 1 7 3364 2 2 6 DC C5' C -10.288 7.043 4.753 1.00 . B B . 25 DC C5' 1 1 7 3365 2 2 6 DC C6 C -11.859 3.684 2.857 1.00 . B B . 25 DC C6 1 1 7 3366 2 2 6 DC H1' H -12.580 3.591 6.139 1.00 . B B . 25 DC H1' 1 1 7 3367 2 2 6 DC H2' H -10.098 2.586 5.282 1.00 . B B . 25 DC H2' 1 1 7 3368 2 2 6 DC H2'' H -10.428 3.341 6.860 1.00 . B B . 25 DC H2'' 1 1 7 3369 2 2 6 DC H3' H -9.268 4.637 4.358 1.00 . B B . 25 DC H3' 1 1 7 3370 2 2 6 DC H4' H -10.689 6.081 6.619 1.00 . B B . 25 DC H4' 1 1 7 3371 2 2 6 DC H41 H -13.816 0.305 0.910 1.00 . B B . 25 DC H41 1 1 7 3372 2 2 6 DC H42 H -13.136 1.574 -0.122 1.00 . B B . 25 DC H42 1 1 7 3373 2 2 6 DC H5 H -11.889 3.411 0.754 1.00 . B B . 25 DC H5 1 1 7 3374 2 2 6 DC H5' H -10.965 7.841 5.020 1.00 . B B . 25 DC H5' 1 1 7 3375 2 2 6 DC H5'' H -9.277 7.351 4.999 1.00 . B B . 25 DC H5'' 1 1 7 3376 2 2 6 DC H6 H -11.283 4.599 2.806 1.00 . B B . 25 DC H6 1 1 7 3377 2 2 6 DC HO3' H -7.878 4.167 6.269 1.00 . B B . 25 DC HO3' 1 1 7 3378 2 2 6 DC N1 N -12.262 3.198 4.077 1.00 . B B . 25 DC N1 1 1 7 3379 2 2 6 DC N3 N -13.405 1.376 2.997 1.00 . B B . 25 DC N3 1 1 7 3380 2 2 6 DC N4 N -13.331 1.186 0.785 1.00 . B B . 25 DC N4 1 1 7 3381 2 2 6 DC O2 O -13.405 1.560 5.206 1.00 . B B . 25 DC O2 1 1 7 3382 2 2 6 DC O3' O -8.527 4.889 6.315 1.00 . B B . 25 DC O3' 1 1 7 3383 2 2 6 DC O4' O -11.895 5.277 5.173 1.00 . B B . 25 DC O4' 1 1 7 3384 2 2 6 DC O5' O -10.376 6.783 3.362 1.00 . B B . 25 DC O5' 1 1 7 3385 2 2 6 DC OP1 O -10.144 7.292 0.928 1.00 . B B . 25 DC OP1 1 1 7 3386 2 2 6 DC OP2 O -10.182 9.151 2.690 1.00 . B B . 25 DC OP2 1 1 7 3387 2 2 6 DC P P -9.787 7.785 2.280 1.00 . B B . 25 DC P 1 1 7 3388 3 3 1 ZN ZN ZN 0.440 -3.751 -0.275 1.00 . C A . 26 ZN ZN 1 1 8 3389 1 1 1 LYS C C -4.905 -11.466 4.142 1.00 . A A . 1 LYS C 1 1 8 3390 1 1 1 LYS CA C -6.241 -11.599 4.874 1.00 . A A . 1 LYS CA 1 1 8 3391 1 1 1 LYS CB C -6.481 -13.061 5.309 1.00 . A A . 1 LYS CB 1 1 8 3392 1 1 1 LYS CD C -7.581 -12.771 7.610 1.00 . A A . 1 LYS CD 1 1 8 3393 1 1 1 LYS CE C -8.878 -12.828 8.429 1.00 . A A . 1 LYS CE 1 1 8 3394 1 1 1 LYS CG C -7.744 -13.280 6.167 1.00 . A A . 1 LYS CG 1 1 8 3395 1 1 1 LYS H1 H -7.064 -10.172 3.631 1.00 . A A . 1 LYS H1 1 1 8 3396 1 1 1 LYS H2 H -8.175 -10.928 4.577 1.00 . A A . 1 LYS H2 1 1 8 3397 1 1 1 LYS H3 H -7.549 -11.697 3.266 1.00 . A A . 1 LYS H3 1 1 8 3398 1 1 1 LYS HA H -6.170 -10.984 5.770 1.00 . A A . 1 LYS HA 1 1 8 3399 1 1 1 LYS HB2 H -6.554 -13.685 4.418 1.00 . A A . 1 LYS HB2 1 1 8 3400 1 1 1 LYS HB3 H -5.614 -13.413 5.870 1.00 . A A . 1 LYS HB3 1 1 8 3401 1 1 1 LYS HD2 H -6.814 -13.362 8.113 1.00 . A A . 1 LYS HD2 1 1 8 3402 1 1 1 LYS HD3 H -7.244 -11.737 7.593 1.00 . A A . 1 LYS HD3 1 1 8 3403 1 1 1 LYS HE2 H -8.659 -12.438 9.427 1.00 . A A . 1 LYS HE2 1 1 8 3404 1 1 1 LYS HE3 H -9.629 -12.179 7.972 1.00 . A A . 1 LYS HE3 1 1 8 3405 1 1 1 LYS HG2 H -8.599 -12.790 5.698 1.00 . A A . 1 LYS HG2 1 1 8 3406 1 1 1 LYS HG3 H -7.944 -14.351 6.197 1.00 . A A . 1 LYS HG3 1 1 8 3407 1 1 1 LYS HZ1 H -9.850 -14.536 7.706 1.00 . A A . 1 LYS HZ1 1 1 8 3408 1 1 1 LYS HZ2 H -10.089 -14.289 9.306 1.00 . A A . 1 LYS HZ2 1 1 8 3409 1 1 1 LYS HZ3 H -8.663 -14.862 8.788 1.00 . A A . 1 LYS HZ3 1 1 8 3410 1 1 1 LYS N N -7.337 -11.064 4.030 1.00 . A A . 1 LYS N 1 1 8 3411 1 1 1 LYS NZ N -9.406 -14.204 8.558 1.00 . A A . 1 LYS NZ 1 1 8 3412 1 1 1 LYS O O -4.768 -11.929 3.007 1.00 . A A . 1 LYS O 1 1 8 3413 1 1 2 GLY C C -2.399 -8.961 4.182 1.00 . A A . 2 GLY C 1 1 8 3414 1 1 2 GLY CA C -2.624 -10.471 4.185 1.00 . A A . 2 GLY CA 1 1 8 3415 1 1 2 GLY H H -4.061 -10.592 5.749 1.00 . A A . 2 GLY H 1 1 8 3416 1 1 2 GLY HA2 H -1.815 -10.925 4.754 1.00 . A A . 2 GLY HA2 1 1 8 3417 1 1 2 GLY HA3 H -2.567 -10.823 3.159 1.00 . A A . 2 GLY HA3 1 1 8 3418 1 1 2 GLY N N -3.908 -10.852 4.780 1.00 . A A . 2 GLY N 1 1 8 3419 1 1 2 GLY O O -2.527 -8.315 5.219 1.00 . A A . 2 GLY O 1 1 8 3420 1 1 3 CYS C C -3.186 -6.202 3.221 1.00 . A A . 3 CYS C 1 1 8 3421 1 1 3 CYS CA C -1.906 -6.959 2.837 1.00 . A A . 3 CYS CA 1 1 8 3422 1 1 3 CYS CB C -1.568 -6.635 1.376 1.00 . A A . 3 CYS CB 1 1 8 3423 1 1 3 CYS H H -2.030 -8.979 2.189 1.00 . A A . 3 CYS H 1 1 8 3424 1 1 3 CYS HA H -1.087 -6.629 3.479 1.00 . A A . 3 CYS HA 1 1 8 3425 1 1 3 CYS HB2 H -1.356 -7.557 0.838 1.00 . A A . 3 CYS HB2 1 1 8 3426 1 1 3 CYS HB3 H -2.445 -6.163 0.943 1.00 . A A . 3 CYS HB3 1 1 8 3427 1 1 3 CYS N N -2.079 -8.400 3.007 1.00 . A A . 3 CYS N 1 1 8 3428 1 1 3 CYS O O -4.294 -6.631 2.899 1.00 . A A . 3 CYS O 1 1 8 3429 1 1 3 CYS SG S -0.200 -5.462 1.218 1.00 . A A . 3 CYS SG 1 1 8 3430 1 1 4 TRP C C -4.792 -3.661 2.676 1.00 . A A . 4 TRP C 1 1 8 3431 1 1 4 TRP CA C -4.006 -3.975 3.961 1.00 . A A . 4 TRP CA 1 1 8 3432 1 1 4 TRP CB C -3.242 -2.745 4.450 1.00 . A A . 4 TRP CB 1 1 8 3433 1 1 4 TRP CD1 C -5.075 -1.005 4.795 1.00 . A A . 4 TRP CD1 1 1 8 3434 1 1 4 TRP CD2 C -3.290 -0.276 3.649 1.00 . A A . 4 TRP CD2 1 1 8 3435 1 1 4 TRP CE2 C -4.206 0.803 3.708 1.00 . A A . 4 TRP CE2 1 1 8 3436 1 1 4 TRP CE3 C -2.042 -0.056 3.038 1.00 . A A . 4 TRP CE3 1 1 8 3437 1 1 4 TRP CG C -3.883 -1.417 4.311 1.00 . A A . 4 TRP CG 1 1 8 3438 1 1 4 TRP CH2 C -2.682 2.223 2.476 1.00 . A A . 4 TRP CH2 1 1 8 3439 1 1 4 TRP CZ2 C -3.909 2.034 3.128 1.00 . A A . 4 TRP CZ2 1 1 8 3440 1 1 4 TRP CZ3 C -1.746 1.177 2.454 1.00 . A A . 4 TRP CZ3 1 1 8 3441 1 1 4 TRP H H -2.038 -4.776 4.006 1.00 . A A . 4 TRP H 1 1 8 3442 1 1 4 TRP HA H -4.724 -4.284 4.724 1.00 . A A . 4 TRP HA 1 1 8 3443 1 1 4 TRP HB2 H -2.952 -2.853 5.479 1.00 . A A . 4 TRP HB2 1 1 8 3444 1 1 4 TRP HB3 H -2.307 -2.694 3.892 1.00 . A A . 4 TRP HB3 1 1 8 3445 1 1 4 TRP HD1 H -5.765 -1.607 5.375 1.00 . A A . 4 TRP HD1 1 1 8 3446 1 1 4 TRP HE1 H -6.093 0.849 4.683 1.00 . A A . 4 TRP HE1 1 1 8 3447 1 1 4 TRP HE3 H -1.307 -0.843 3.017 1.00 . A A . 4 TRP HE3 1 1 8 3448 1 1 4 TRP HH2 H -2.447 3.178 2.030 1.00 . A A . 4 TRP HH2 1 1 8 3449 1 1 4 TRP HZ2 H -4.623 2.828 3.196 1.00 . A A . 4 TRP HZ2 1 1 8 3450 1 1 4 TRP HZ3 H -0.785 1.313 2.014 1.00 . A A . 4 TRP HZ3 1 1 8 3451 1 1 4 TRP N N -2.991 -5.013 3.772 1.00 . A A . 4 TRP N 1 1 8 3452 1 1 4 TRP NE1 N -5.273 0.315 4.434 1.00 . A A . 4 TRP NE1 1 1 8 3453 1 1 4 TRP O O -6.021 -3.789 2.663 1.00 . A A . 4 TRP O 1 1 8 3454 1 1 5 LYS C C -4.513 -3.881 -0.834 1.00 . A A . 5 LYS C 1 1 8 3455 1 1 5 LYS CA C -4.688 -2.880 0.306 1.00 . A A . 5 LYS CA 1 1 8 3456 1 1 5 LYS CB C -4.212 -1.460 -0.074 1.00 . A A . 5 LYS CB 1 1 8 3457 1 1 5 LYS CD C -2.714 -1.533 -2.225 1.00 . A A . 5 LYS CD 1 1 8 3458 1 1 5 LYS CE C -3.390 -0.392 -2.988 1.00 . A A . 5 LYS CE 1 1 8 3459 1 1 5 LYS CG C -2.807 -1.350 -0.694 1.00 . A A . 5 LYS CG 1 1 8 3460 1 1 5 LYS H H -3.095 -3.161 1.716 1.00 . A A . 5 LYS H 1 1 8 3461 1 1 5 LYS HA H -5.766 -2.800 0.449 1.00 . A A . 5 LYS HA 1 1 8 3462 1 1 5 LYS HB2 H -4.930 -1.032 -0.768 1.00 . A A . 5 LYS HB2 1 1 8 3463 1 1 5 LYS HB3 H -4.240 -0.845 0.826 1.00 . A A . 5 LYS HB3 1 1 8 3464 1 1 5 LYS HD2 H -1.663 -1.576 -2.504 1.00 . A A . 5 LYS HD2 1 1 8 3465 1 1 5 LYS HD3 H -3.169 -2.466 -2.533 1.00 . A A . 5 LYS HD3 1 1 8 3466 1 1 5 LYS HE2 H -4.466 -0.435 -2.804 1.00 . A A . 5 LYS HE2 1 1 8 3467 1 1 5 LYS HE3 H -3.043 0.567 -2.591 1.00 . A A . 5 LYS HE3 1 1 8 3468 1 1 5 LYS HG2 H -2.401 -0.368 -0.449 1.00 . A A . 5 LYS HG2 1 1 8 3469 1 1 5 LYS HG3 H -2.176 -2.090 -0.216 1.00 . A A . 5 LYS HG3 1 1 8 3470 1 1 5 LYS HZ1 H -2.147 -0.356 -4.660 1.00 . A A . 5 LYS HZ1 1 1 8 3471 1 1 5 LYS HZ2 H -3.631 0.293 -4.922 1.00 . A A . 5 LYS HZ2 1 1 8 3472 1 1 5 LYS HZ3 H -3.439 -1.332 -4.830 1.00 . A A . 5 LYS HZ3 1 1 8 3473 1 1 5 LYS N N -4.085 -3.295 1.589 1.00 . A A . 5 LYS N 1 1 8 3474 1 1 5 LYS NZ N -3.137 -0.446 -4.440 1.00 . A A . 5 LYS NZ 1 1 8 3475 1 1 5 LYS O O -5.417 -4.002 -1.657 1.00 . A A . 5 LYS O 1 1 8 3476 1 1 6 CYS C C -3.890 -6.708 -2.050 1.00 . A A . 6 CYS C 1 1 8 3477 1 1 6 CYS CA C -3.019 -5.432 -2.038 1.00 . A A . 6 CYS CA 1 1 8 3478 1 1 6 CYS CB C -1.511 -5.776 -1.997 1.00 . A A . 6 CYS CB 1 1 8 3479 1 1 6 CYS H H -2.633 -4.353 -0.255 1.00 . A A . 6 CYS H 1 1 8 3480 1 1 6 CYS HA H -3.216 -4.884 -2.961 1.00 . A A . 6 CYS HA 1 1 8 3481 1 1 6 CYS HB2 H -1.339 -6.541 -1.243 1.00 . A A . 6 CYS HB2 1 1 8 3482 1 1 6 CYS HB3 H -1.259 -6.217 -2.961 1.00 . A A . 6 CYS HB3 1 1 8 3483 1 1 6 CYS N N -3.367 -4.573 -0.906 1.00 . A A . 6 CYS N 1 1 8 3484 1 1 6 CYS O O -4.612 -6.985 -3.008 1.00 . A A . 6 CYS O 1 1 8 3485 1 1 6 CYS SG S -0.408 -4.364 -1.677 1.00 . A A . 6 CYS SG 1 1 8 3486 1 1 7 GLY C C -3.838 -9.991 -0.789 1.00 . A A . 7 GLY C 1 1 8 3487 1 1 7 GLY CA C -4.598 -8.667 -0.664 1.00 . A A . 7 GLY CA 1 1 8 3488 1 1 7 GLY H H -3.225 -7.115 -0.223 1.00 . A A . 7 GLY H 1 1 8 3489 1 1 7 GLY HA2 H -4.951 -8.599 0.361 1.00 . A A . 7 GLY HA2 1 1 8 3490 1 1 7 GLY HA3 H -5.458 -8.703 -1.327 1.00 . A A . 7 GLY HA3 1 1 8 3491 1 1 7 GLY N N -3.820 -7.459 -0.949 1.00 . A A . 7 GLY N 1 1 8 3492 1 1 7 GLY O O -4.451 -11.017 -1.068 1.00 . A A . 7 GLY O 1 1 8 3493 1 1 8 LYS C C -0.658 -11.665 -0.095 1.00 . A A . 8 LYS C 1 1 8 3494 1 1 8 LYS CA C -1.622 -11.064 -1.124 1.00 . A A . 8 LYS CA 1 1 8 3495 1 1 8 LYS CB C -0.827 -10.611 -2.357 1.00 . A A . 8 LYS CB 1 1 8 3496 1 1 8 LYS CD C -0.849 -9.544 -4.694 1.00 . A A . 8 LYS CD 1 1 8 3497 1 1 8 LYS CE C -0.187 -8.159 -4.602 1.00 . A A . 8 LYS CE 1 1 8 3498 1 1 8 LYS CG C -1.671 -9.940 -3.457 1.00 . A A . 8 LYS CG 1 1 8 3499 1 1 8 LYS H H -2.070 -9.070 -0.494 1.00 . A A . 8 LYS H 1 1 8 3500 1 1 8 LYS HA H -2.255 -11.899 -1.422 1.00 . A A . 8 LYS HA 1 1 8 3501 1 1 8 LYS HB2 H -0.051 -9.934 -2.013 1.00 . A A . 8 LYS HB2 1 1 8 3502 1 1 8 LYS HB3 H -0.339 -11.482 -2.796 1.00 . A A . 8 LYS HB3 1 1 8 3503 1 1 8 LYS HD2 H -0.094 -10.302 -4.897 1.00 . A A . 8 LYS HD2 1 1 8 3504 1 1 8 LYS HD3 H -1.530 -9.513 -5.544 1.00 . A A . 8 LYS HD3 1 1 8 3505 1 1 8 LYS HE2 H 0.358 -7.978 -5.531 1.00 . A A . 8 LYS HE2 1 1 8 3506 1 1 8 LYS HE3 H -0.971 -7.401 -4.533 1.00 . A A . 8 LYS HE3 1 1 8 3507 1 1 8 LYS HG2 H -2.436 -10.652 -3.770 1.00 . A A . 8 LYS HG2 1 1 8 3508 1 1 8 LYS HG3 H -2.166 -9.049 -3.073 1.00 . A A . 8 LYS HG3 1 1 8 3509 1 1 8 LYS HZ1 H 1.214 -7.149 -3.420 1.00 . A A . 8 LYS HZ1 1 1 8 3510 1 1 8 LYS HZ2 H 1.449 -8.767 -3.468 1.00 . A A . 8 LYS HZ2 1 1 8 3511 1 1 8 LYS HZ3 H 0.245 -8.139 -2.567 1.00 . A A . 8 LYS HZ3 1 1 8 3512 1 1 8 LYS N N -2.497 -9.965 -0.664 1.00 . A A . 8 LYS N 1 1 8 3513 1 1 8 LYS NZ N 0.730 -8.042 -3.451 1.00 . A A . 8 LYS NZ 1 1 8 3514 1 1 8 LYS O O 0.137 -12.528 -0.448 1.00 . A A . 8 LYS O 1 1 8 3515 1 1 9 GLU C C 1.693 -11.370 1.963 1.00 . A A . 9 GLU C 1 1 8 3516 1 1 9 GLU CA C 0.208 -11.683 2.237 1.00 . A A . 9 GLU CA 1 1 8 3517 1 1 9 GLU CB C -0.026 -13.163 2.603 1.00 . A A . 9 GLU CB 1 1 8 3518 1 1 9 GLU CD C -1.857 -14.897 2.780 1.00 . A A . 9 GLU CD 1 1 8 3519 1 1 9 GLU CG C -1.469 -13.445 3.034 1.00 . A A . 9 GLU CG 1 1 8 3520 1 1 9 GLU H H -1.460 -10.612 1.394 1.00 . A A . 9 GLU H 1 1 8 3521 1 1 9 GLU HA H -0.040 -11.113 3.128 1.00 . A A . 9 GLU HA 1 1 8 3522 1 1 9 GLU HB2 H 0.235 -13.788 1.752 1.00 . A A . 9 GLU HB2 1 1 8 3523 1 1 9 GLU HB3 H 0.643 -13.435 3.422 1.00 . A A . 9 GLU HB3 1 1 8 3524 1 1 9 GLU HG2 H -1.577 -13.182 4.088 1.00 . A A . 9 GLU HG2 1 1 8 3525 1 1 9 GLU HG3 H -2.165 -12.831 2.464 1.00 . A A . 9 GLU HG3 1 1 8 3526 1 1 9 GLU N N -0.714 -11.239 1.166 1.00 . A A . 9 GLU N 1 1 8 3527 1 1 9 GLU O O 2.595 -12.087 2.407 1.00 . A A . 9 GLU O 1 1 8 3528 1 1 9 GLU OE1 O -2.118 -15.229 1.601 1.00 . A A . 9 GLU OE1 1 1 8 3529 1 1 9 GLU OE2 O -1.980 -15.675 3.756 1.00 . A A . 9 GLU OE2 1 1 8 3530 1 1 10 GLY C C 3.939 -9.059 2.023 1.00 . A A . 10 GLY C 1 1 8 3531 1 1 10 GLY CA C 3.314 -9.864 0.885 1.00 . A A . 10 GLY CA 1 1 8 3532 1 1 10 GLY H H 1.189 -9.722 0.903 1.00 . A A . 10 GLY H 1 1 8 3533 1 1 10 GLY HA2 H 3.934 -10.737 0.685 1.00 . A A . 10 GLY HA2 1 1 8 3534 1 1 10 GLY HA3 H 3.288 -9.239 -0.009 1.00 . A A . 10 GLY HA3 1 1 8 3535 1 1 10 GLY N N 1.959 -10.297 1.211 1.00 . A A . 10 GLY N 1 1 8 3536 1 1 10 GLY O O 5.065 -9.351 2.427 1.00 . A A . 10 GLY O 1 1 8 3537 1 1 11 HIS C C 2.491 -6.606 4.494 1.00 . A A . 11 HIS C 1 1 8 3538 1 1 11 HIS CA C 3.635 -7.244 3.681 1.00 . A A . 11 HIS CA 1 1 8 3539 1 1 11 HIS CB C 4.543 -6.146 3.102 1.00 . A A . 11 HIS CB 1 1 8 3540 1 1 11 HIS CD2 C 2.756 -4.828 1.796 1.00 . A A . 11 HIS CD2 1 1 8 3541 1 1 11 HIS CE1 C 3.743 -4.638 -0.133 1.00 . A A . 11 HIS CE1 1 1 8 3542 1 1 11 HIS CG C 3.969 -5.444 1.895 1.00 . A A . 11 HIS CG 1 1 8 3543 1 1 11 HIS H H 2.250 -7.964 2.242 1.00 . A A . 11 HIS H 1 1 8 3544 1 1 11 HIS HA H 4.219 -7.851 4.370 1.00 . A A . 11 HIS HA 1 1 8 3545 1 1 11 HIS HB2 H 4.755 -5.413 3.876 1.00 . A A . 11 HIS HB2 1 1 8 3546 1 1 11 HIS HB3 H 5.495 -6.594 2.834 1.00 . A A . 11 HIS HB3 1 1 8 3547 1 1 11 HIS HD1 H 5.485 -5.711 0.433 1.00 . A A . 11 HIS HD1 1 1 8 3548 1 1 11 HIS HD2 H 2.086 -4.637 2.626 1.00 . A A . 11 HIS HD2 1 1 8 3549 1 1 11 HIS HE1 H 3.997 -4.316 -1.129 1.00 . A A . 11 HIS HE1 1 1 8 3550 1 1 11 HIS N N 3.184 -8.110 2.588 1.00 . A A . 11 HIS N 1 1 8 3551 1 1 11 HIS ND1 N 4.568 -5.323 0.672 1.00 . A A . 11 HIS ND1 1 1 8 3552 1 1 11 HIS NE2 N 2.556 -4.400 0.466 1.00 . A A . 11 HIS NE2 1 1 8 3553 1 1 11 HIS O O 1.314 -6.914 4.309 1.00 . A A . 11 HIS O 1 1 8 3554 1 1 12 GLN C C 2.058 -3.341 5.576 1.00 . A A . 12 GLN C 1 1 8 3555 1 1 12 GLN CA C 2.058 -4.755 6.155 1.00 . A A . 12 GLN CA 1 1 8 3556 1 1 12 GLN CB C 2.639 -4.770 7.574 1.00 . A A . 12 GLN CB 1 1 8 3557 1 1 12 GLN CD C 2.531 -5.843 9.828 1.00 . A A . 12 GLN CD 1 1 8 3558 1 1 12 GLN CG C 1.763 -5.557 8.551 1.00 . A A . 12 GLN CG 1 1 8 3559 1 1 12 GLN H H 3.872 -5.530 5.454 1.00 . A A . 12 GLN H 1 1 8 3560 1 1 12 GLN HA H 1.008 -5.032 6.163 1.00 . A A . 12 GLN HA 1 1 8 3561 1 1 12 GLN HB2 H 3.632 -5.221 7.564 1.00 . A A . 12 GLN HB2 1 1 8 3562 1 1 12 GLN HB3 H 2.788 -3.752 7.914 1.00 . A A . 12 GLN HB3 1 1 8 3563 1 1 12 GLN HE21 H 1.897 -4.139 10.708 1.00 . A A . 12 GLN HE21 1 1 8 3564 1 1 12 GLN HE22 H 3.074 -5.103 11.601 1.00 . A A . 12 GLN HE22 1 1 8 3565 1 1 12 GLN HG2 H 0.867 -4.984 8.782 1.00 . A A . 12 GLN HG2 1 1 8 3566 1 1 12 GLN HG3 H 1.471 -6.505 8.098 1.00 . A A . 12 GLN HG3 1 1 8 3567 1 1 12 GLN N N 2.871 -5.679 5.371 1.00 . A A . 12 GLN N 1 1 8 3568 1 1 12 GLN NE2 N 2.480 -4.964 10.801 1.00 . A A . 12 GLN NE2 1 1 8 3569 1 1 12 GLN O O 2.867 -2.995 4.719 1.00 . A A . 12 GLN O 1 1 8 3570 1 1 12 GLN OE1 O 3.206 -6.858 9.942 1.00 . A A . 12 GLN OE1 1 1 8 3571 1 1 13 MET C C 2.211 -0.284 5.567 1.00 . A A . 13 MET C 1 1 8 3572 1 1 13 MET CA C 0.930 -1.109 5.665 1.00 . A A . 13 MET CA 1 1 8 3573 1 1 13 MET CB C -0.020 -0.450 6.671 1.00 . A A . 13 MET CB 1 1 8 3574 1 1 13 MET CE C -3.274 0.274 8.238 1.00 . A A . 13 MET CE 1 1 8 3575 1 1 13 MET CG C -1.363 -1.150 6.807 1.00 . A A . 13 MET CG 1 1 8 3576 1 1 13 MET H H 0.532 -2.866 6.795 1.00 . A A . 13 MET H 1 1 8 3577 1 1 13 MET HA H 0.470 -1.065 4.680 1.00 . A A . 13 MET HA 1 1 8 3578 1 1 13 MET HB2 H 0.465 -0.415 7.648 1.00 . A A . 13 MET HB2 1 1 8 3579 1 1 13 MET HB3 H -0.238 0.551 6.332 1.00 . A A . 13 MET HB3 1 1 8 3580 1 1 13 MET HE1 H -3.828 0.410 9.163 1.00 . A A . 13 MET HE1 1 1 8 3581 1 1 13 MET HE2 H -2.740 1.192 8.000 1.00 . A A . 13 MET HE2 1 1 8 3582 1 1 13 MET HE3 H -3.975 0.038 7.438 1.00 . A A . 13 MET HE3 1 1 8 3583 1 1 13 MET HG2 H -2.045 -0.752 6.068 1.00 . A A . 13 MET HG2 1 1 8 3584 1 1 13 MET HG3 H -1.242 -2.181 6.538 1.00 . A A . 13 MET HG3 1 1 8 3585 1 1 13 MET N N 1.158 -2.498 6.088 1.00 . A A . 13 MET N 1 1 8 3586 1 1 13 MET O O 2.349 0.483 4.621 1.00 . A A . 13 MET O 1 1 8 3587 1 1 13 MET SD S -2.106 -1.087 8.454 1.00 . A A . 13 MET SD 1 1 8 3588 1 1 14 LYS C C 5.434 -0.176 5.488 1.00 . A A . 14 LYS C 1 1 8 3589 1 1 14 LYS CA C 4.443 0.205 6.581 1.00 . A A . 14 LYS CA 1 1 8 3590 1 1 14 LYS CB C 5.041 -0.102 7.951 1.00 . A A . 14 LYS CB 1 1 8 3591 1 1 14 LYS CD C 4.428 0.112 10.375 1.00 . A A . 14 LYS CD 1 1 8 3592 1 1 14 LYS CE C 3.261 -0.882 10.448 1.00 . A A . 14 LYS CE 1 1 8 3593 1 1 14 LYS CG C 4.487 0.839 9.030 1.00 . A A . 14 LYS CG 1 1 8 3594 1 1 14 LYS H H 2.951 -1.192 7.190 1.00 . A A . 14 LYS H 1 1 8 3595 1 1 14 LYS HA H 4.278 1.275 6.479 1.00 . A A . 14 LYS HA 1 1 8 3596 1 1 14 LYS HB2 H 4.817 -1.136 8.206 1.00 . A A . 14 LYS HB2 1 1 8 3597 1 1 14 LYS HB3 H 6.127 -0.024 7.906 1.00 . A A . 14 LYS HB3 1 1 8 3598 1 1 14 LYS HD2 H 5.361 -0.437 10.501 1.00 . A A . 14 LYS HD2 1 1 8 3599 1 1 14 LYS HD3 H 4.340 0.842 11.181 1.00 . A A . 14 LYS HD3 1 1 8 3600 1 1 14 LYS HE2 H 3.281 -1.535 9.578 1.00 . A A . 14 LYS HE2 1 1 8 3601 1 1 14 LYS HE3 H 3.408 -1.508 11.334 1.00 . A A . 14 LYS HE3 1 1 8 3602 1 1 14 LYS HG2 H 5.147 1.706 9.109 1.00 . A A . 14 LYS HG2 1 1 8 3603 1 1 14 LYS HG3 H 3.490 1.189 8.763 1.00 . A A . 14 LYS HG3 1 1 8 3604 1 1 14 LYS HZ1 H 1.898 0.269 11.462 1.00 . A A . 14 LYS HZ1 1 1 8 3605 1 1 14 LYS HZ2 H 1.196 -0.895 10.543 1.00 . A A . 14 LYS HZ2 1 1 8 3606 1 1 14 LYS HZ3 H 1.769 0.500 9.852 1.00 . A A . 14 LYS HZ3 1 1 8 3607 1 1 14 LYS N N 3.146 -0.484 6.499 1.00 . A A . 14 LYS N 1 1 8 3608 1 1 14 LYS NZ N 1.943 -0.208 10.562 1.00 . A A . 14 LYS NZ 1 1 8 3609 1 1 14 LYS O O 6.408 0.543 5.266 1.00 . A A . 14 LYS O 1 1 8 3610 1 1 15 ASP C C 5.164 -1.615 2.362 1.00 . A A . 15 ASP C 1 1 8 3611 1 1 15 ASP CA C 5.956 -1.776 3.668 1.00 . A A . 15 ASP CA 1 1 8 3612 1 1 15 ASP CB C 6.328 -3.236 3.896 1.00 . A A . 15 ASP CB 1 1 8 3613 1 1 15 ASP CG C 7.738 -3.358 4.445 1.00 . A A . 15 ASP CG 1 1 8 3614 1 1 15 ASP H H 4.474 -1.913 5.213 1.00 . A A . 15 ASP H 1 1 8 3615 1 1 15 ASP HA H 6.871 -1.205 3.553 1.00 . A A . 15 ASP HA 1 1 8 3616 1 1 15 ASP HB2 H 5.616 -3.661 4.600 1.00 . A A . 15 ASP HB2 1 1 8 3617 1 1 15 ASP HB3 H 6.269 -3.787 2.958 1.00 . A A . 15 ASP HB3 1 1 8 3618 1 1 15 ASP N N 5.217 -1.313 4.846 1.00 . A A . 15 ASP N 1 1 8 3619 1 1 15 ASP O O 5.756 -1.549 1.280 1.00 . A A . 15 ASP O 1 1 8 3620 1 1 15 ASP OD1 O 8.692 -3.453 3.633 1.00 . A A . 15 ASP OD1 1 1 8 3621 1 1 15 ASP OD2 O 7.898 -3.306 5.687 1.00 . A A . 15 ASP OD2 1 1 8 3622 1 1 16 CYS C C 2.824 0.119 1.002 1.00 . A A . 16 CYS C 1 1 8 3623 1 1 16 CYS CA C 2.875 -1.350 1.426 1.00 . A A . 16 CYS CA 1 1 8 3624 1 1 16 CYS CB C 1.536 -1.905 1.930 1.00 . A A . 16 CYS CB 1 1 8 3625 1 1 16 CYS H H 3.465 -1.682 3.414 1.00 . A A . 16 CYS H 1 1 8 3626 1 1 16 CYS HA H 3.179 -1.943 0.573 1.00 . A A . 16 CYS HA 1 1 8 3627 1 1 16 CYS HB2 H 1.693 -2.787 2.514 1.00 . A A . 16 CYS HB2 1 1 8 3628 1 1 16 CYS HB3 H 1.108 -1.266 2.666 1.00 . A A . 16 CYS HB3 1 1 8 3629 1 1 16 CYS N N 3.841 -1.539 2.485 1.00 . A A . 16 CYS N 1 1 8 3630 1 1 16 CYS O O 3.389 0.513 -0.015 1.00 . A A . 16 CYS O 1 1 8 3631 1 1 16 CYS SG S 0.400 -2.229 0.580 1.00 . A A . 16 CYS SG 1 1 8 3632 1 1 17 THR C C 1.180 2.628 0.295 1.00 . A A . 17 THR C 1 1 8 3633 1 1 17 THR CA C 1.922 2.368 1.607 1.00 . A A . 17 THR CA 1 1 8 3634 1 1 17 THR CB C 3.192 3.242 1.728 1.00 . A A . 17 THR CB 1 1 8 3635 1 1 17 THR CG2 C 4.142 2.766 2.813 1.00 . A A . 17 THR CG2 1 1 8 3636 1 1 17 THR H H 1.912 0.551 2.716 1.00 . A A . 17 THR H 1 1 8 3637 1 1 17 THR HA H 1.246 2.680 2.412 1.00 . A A . 17 THR HA 1 1 8 3638 1 1 17 THR HB H 2.894 4.270 1.938 1.00 . A A . 17 THR HB 1 1 8 3639 1 1 17 THR HG1 H 3.946 2.360 0.166 1.00 . A A . 17 THR HG1 1 1 8 3640 1 1 17 THR HG21 H 4.905 3.526 2.966 1.00 . A A . 17 THR HG21 1 1 8 3641 1 1 17 THR HG22 H 4.607 1.839 2.487 1.00 . A A . 17 THR HG22 1 1 8 3642 1 1 17 THR HG23 H 3.586 2.594 3.727 1.00 . A A . 17 THR HG23 1 1 8 3643 1 1 17 THR N N 2.196 0.944 1.832 1.00 . A A . 17 THR N 1 1 8 3644 1 1 17 THR O O 1.188 3.747 -0.189 1.00 . A A . 17 THR O 1 1 8 3645 1 1 17 THR OG1 O 3.989 3.237 0.576 1.00 . A A . 17 THR OG1 1 1 8 3646 1 1 18 GLU C C -1.272 2.222 -2.013 1.00 . A A . 18 GLU C 1 1 8 3647 1 1 18 GLU CA C 0.166 1.701 -1.741 1.00 . A A . 18 GLU CA 1 1 8 3648 1 1 18 GLU CB C 0.431 0.346 -2.432 1.00 . A A . 18 GLU CB 1 1 8 3649 1 1 18 GLU CD C 2.062 0.292 -4.402 1.00 . A A . 18 GLU CD 1 1 8 3650 1 1 18 GLU CG C 1.887 0.140 -2.879 1.00 . A A . 18 GLU CG 1 1 8 3651 1 1 18 GLU H H 0.588 0.697 0.095 1.00 . A A . 18 GLU H 1 1 8 3652 1 1 18 GLU HA H 0.861 2.426 -2.174 1.00 . A A . 18 GLU HA 1 1 8 3653 1 1 18 GLU HB2 H 0.165 -0.450 -1.736 1.00 . A A . 18 GLU HB2 1 1 8 3654 1 1 18 GLU HB3 H -0.212 0.237 -3.302 1.00 . A A . 18 GLU HB3 1 1 8 3655 1 1 18 GLU HG2 H 2.524 0.847 -2.347 1.00 . A A . 18 GLU HG2 1 1 8 3656 1 1 18 GLU HG3 H 2.199 -0.866 -2.591 1.00 . A A . 18 GLU HG3 1 1 8 3657 1 1 18 GLU N N 0.548 1.621 -0.322 1.00 . A A . 18 GLU N 1 1 8 3658 1 1 18 GLU O O -1.686 2.260 -3.173 1.00 . A A . 18 GLU O 1 1 8 3659 1 1 18 GLU OE1 O 2.294 1.414 -4.909 1.00 . A A . 18 GLU OE1 1 1 8 3660 1 1 18 GLU OE2 O 1.968 -0.716 -5.152 1.00 . A A . 18 GLU OE2 1 1 8 3661 1 1 19 ARG C C -4.515 2.041 -0.978 1.00 . A A . 19 ARG C 1 1 8 3662 1 1 19 ARG CA C -3.414 3.127 -0.934 1.00 . A A . 19 ARG CA 1 1 8 3663 1 1 19 ARG CB C -3.563 4.370 -1.848 1.00 . A A . 19 ARG CB 1 1 8 3664 1 1 19 ARG CD C -4.345 5.242 -4.180 1.00 . A A . 19 ARG CD 1 1 8 3665 1 1 19 ARG CG C -4.418 4.166 -3.100 1.00 . A A . 19 ARG CG 1 1 8 3666 1 1 19 ARG CZ C -4.994 5.197 -6.590 1.00 . A A . 19 ARG CZ 1 1 8 3667 1 1 19 ARG H H -1.552 2.602 -0.075 1.00 . A A . 19 ARG H 1 1 8 3668 1 1 19 ARG HA H -3.551 3.512 0.084 1.00 . A A . 19 ARG HA 1 1 8 3669 1 1 19 ARG HB2 H -3.971 5.179 -1.249 1.00 . A A . 19 ARG HB2 1 1 8 3670 1 1 19 ARG HB3 H -2.578 4.667 -2.191 1.00 . A A . 19 ARG HB3 1 1 8 3671 1 1 19 ARG HD2 H -4.775 6.174 -3.809 1.00 . A A . 19 ARG HD2 1 1 8 3672 1 1 19 ARG HD3 H -3.301 5.402 -4.452 1.00 . A A . 19 ARG HD3 1 1 8 3673 1 1 19 ARG HE H -5.649 3.923 -5.219 1.00 . A A . 19 ARG HE 1 1 8 3674 1 1 19 ARG HG2 H -4.082 3.247 -3.577 1.00 . A A . 19 ARG HG2 1 1 8 3675 1 1 19 ARG HG3 H -5.457 4.070 -2.788 1.00 . A A . 19 ARG HG3 1 1 8 3676 1 1 19 ARG HH11 H -3.858 6.825 -6.215 1.00 . A A . 19 ARG HH11 1 1 8 3677 1 1 19 ARG HH12 H -4.259 6.551 -7.878 1.00 . A A . 19 ARG HH12 1 1 8 3678 1 1 19 ARG HH21 H -6.218 3.778 -7.331 1.00 . A A . 19 ARG HH21 1 1 8 3679 1 1 19 ARG HH22 H -5.575 4.920 -8.489 1.00 . A A . 19 ARG HH22 1 1 8 3680 1 1 19 ARG N N -2.007 2.649 -0.969 1.00 . A A . 19 ARG N 1 1 8 3681 1 1 19 ARG NE N -5.096 4.761 -5.354 1.00 . A A . 19 ARG NE 1 1 8 3682 1 1 19 ARG NH1 N -4.290 6.236 -6.919 1.00 . A A . 19 ARG NH1 1 1 8 3683 1 1 19 ARG NH2 N -5.622 4.579 -7.541 1.00 . A A . 19 ARG NH2 1 1 8 3684 1 1 19 ARG O O -4.905 1.619 0.118 1.00 . A A . 19 ARG O 1 1 8 3685 1 1 19 ARG OXT O -5.030 1.643 -2.048 1.00 . A A . 19 ARG OXT 1 1 8 3686 2 2 1 DT C1' C 9.491 3.909 -0.497 1.00 . B B . 20 DT C1' 1 1 8 3687 2 2 1 DT C2 C 10.454 3.424 -2.730 1.00 . B B . 20 DT C2 1 1 8 3688 2 2 1 DT C2' C 7.961 3.861 -0.408 1.00 . B B . 20 DT C2' 1 1 8 3689 2 2 1 DT C3' C 7.656 4.274 1.038 1.00 . B B . 20 DT C3' 1 1 8 3690 2 2 1 DT C4 C 11.509 1.269 -3.225 1.00 . B B . 20 DT C4 1 1 8 3691 2 2 1 DT C4' C 8.996 4.064 1.761 1.00 . B B . 20 DT C4' 1 1 8 3692 2 2 1 DT C5 C 11.079 0.821 -1.899 1.00 . B B . 20 DT C5 1 1 8 3693 2 2 1 DT C5' C 8.918 3.028 2.897 1.00 . B B . 20 DT C5' 1 1 8 3694 2 2 1 DT C6 C 10.374 1.650 -1.086 1.00 . B B . 20 DT C6 1 1 8 3695 2 2 1 DT C7 C 11.448 -0.567 -1.401 1.00 . B B . 20 DT C7 1 1 8 3696 2 2 1 DT H1' H 9.789 4.916 -0.788 1.00 . B B . 20 DT H1' 1 1 8 3697 2 2 1 DT H2' H 7.609 2.842 -0.568 1.00 . B B . 20 DT H2' 1 1 8 3698 2 2 1 DT H2'' H 7.497 4.526 -1.135 1.00 . B B . 20 DT H2'' 1 1 8 3699 2 2 1 DT H3 H 11.453 2.930 -4.431 1.00 . B B . 20 DT H3 1 1 8 3700 2 2 1 DT H3' H 6.923 3.569 1.435 1.00 . B B . 20 DT H3' 1 1 8 3701 2 2 1 DT H4' H 9.307 5.020 2.184 1.00 . B B . 20 DT H4' 1 1 8 3702 2 2 1 DT H5' H 9.884 2.999 3.404 1.00 . B B . 20 DT H5' 1 1 8 3703 2 2 1 DT H5'' H 8.168 3.358 3.617 1.00 . B B . 20 DT H5'' 1 1 8 3704 2 2 1 DT H6 H 10.069 1.318 -0.101 1.00 . B B . 20 DT H6 1 1 8 3705 2 2 1 DT H71 H 11.133 -1.310 -2.130 1.00 . B B . 20 DT H71 1 1 8 3706 2 2 1 DT H72 H 10.977 -0.779 -0.441 1.00 . B B . 20 DT H72 1 1 8 3707 2 2 1 DT H73 H 12.532 -0.630 -1.296 1.00 . B B . 20 DT H73 1 1 8 3708 2 2 1 DT HO5' H 8.921 1.063 3.078 1.00 . B B . 20 DT HO5' 1 1 8 3709 2 2 1 DT N1 N 10.076 2.944 -1.469 1.00 . B B . 20 DT N1 1 1 8 3710 2 2 1 DT N3 N 11.146 2.558 -3.542 1.00 . B B . 20 DT N3 1 1 8 3711 2 2 1 DT O2 O 10.213 4.560 -3.135 1.00 . B B . 20 DT O2 1 1 8 3712 2 2 1 DT O3' O 7.133 5.594 1.269 1.00 . B B . 20 DT O3' 1 1 8 3713 2 2 1 DT O4 O 12.145 0.618 -4.050 1.00 . B B . 20 DT O4 1 1 8 3714 2 2 1 DT O4' O 9.974 3.653 0.815 1.00 . B B . 20 DT O4' 1 1 8 3715 2 2 1 DT O5' O 8.583 1.720 2.432 1.00 . B B . 20 DT O5' 1 1 8 3716 2 2 2 DA C1' C 4.638 6.183 -3.708 1.00 . B B . 21 DA C1' 1 1 8 3717 2 2 2 DA C2 C 7.819 3.429 -5.005 1.00 . B B . 21 DA C2 1 1 8 3718 2 2 2 DA C2' C 3.400 6.716 -2.986 1.00 . B B . 21 DA C2' 1 1 8 3719 2 2 2 DA C3' C 3.964 7.498 -1.818 1.00 . B B . 21 DA C3' 1 1 8 3720 2 2 2 DA C4 C 6.083 4.068 -3.737 1.00 . B B . 21 DA C4 1 1 8 3721 2 2 2 DA C4' C 5.247 8.049 -2.452 1.00 . B B . 21 DA C4' 1 1 8 3722 2 2 2 DA C5 C 5.971 2.839 -3.145 1.00 . B B . 21 DA C5 1 1 8 3723 2 2 2 DA C5' C 6.393 8.235 -1.453 1.00 . B B . 21 DA C5' 1 1 8 3724 2 2 2 DA C6 C 6.923 1.889 -3.588 1.00 . B B . 21 DA C6 1 1 8 3725 2 2 2 DA C8 C 4.418 4.027 -2.313 1.00 . B B . 21 DA C8 1 1 8 3726 2 2 2 DA H1' H 4.406 6.089 -4.772 1.00 . B B . 21 DA H1' 1 1 8 3727 2 2 2 DA H2 H 8.570 3.650 -5.753 1.00 . B B . 21 DA H2 1 1 8 3728 2 2 2 DA H2' H 2.728 5.943 -2.651 1.00 . B B . 21 DA H2' 1 1 8 3729 2 2 2 DA H2'' H 2.850 7.354 -3.652 1.00 . B B . 21 DA H2'' 1 1 8 3730 2 2 2 DA H3' H 4.197 6.805 -1.003 1.00 . B B . 21 DA H3' 1 1 8 3731 2 2 2 DA H4' H 5.011 9.021 -2.889 1.00 . B B . 21 DA H4' 1 1 8 3732 2 2 2 DA H5' H 7.278 8.603 -1.974 1.00 . B B . 21 DA H5' 1 1 8 3733 2 2 2 DA H5'' H 6.082 8.982 -0.726 1.00 . B B . 21 DA H5'' 1 1 8 3734 2 2 2 DA H61 H 7.787 0.079 -3.481 1.00 . B B . 21 DA H61 1 1 8 3735 2 2 2 DA H62 H 6.393 0.334 -2.422 1.00 . B B . 21 DA H62 1 1 8 3736 2 2 2 DA H8 H 3.556 4.371 -1.738 1.00 . B B . 21 DA H8 1 1 8 3737 2 2 2 DA N1 N 7.830 2.195 -4.519 1.00 . B B . 21 DA N1 1 1 8 3738 2 2 2 DA N3 N 6.990 4.427 -4.696 1.00 . B B . 21 DA N3 1 1 8 3739 2 2 2 DA N6 N 7.000 0.637 -3.180 1.00 . B B . 21 DA N6 1 1 8 3740 2 2 2 DA N7 N 4.905 2.811 -2.241 1.00 . B B . 21 DA N7 1 1 8 3741 2 2 2 DA N9 N 5.068 4.846 -3.208 1.00 . B B . 21 DA N9 1 1 8 3742 2 2 2 DA O3' O 3.037 8.503 -1.422 1.00 . B B . 21 DA O3' 1 1 8 3743 2 2 2 DA O4' O 5.638 7.173 -3.509 1.00 . B B . 21 DA O4' 1 1 8 3744 2 2 2 DA O5' O 6.680 7.009 -0.803 1.00 . B B . 21 DA O5' 1 1 8 3745 2 2 2 DA OP1 O 8.985 6.824 0.085 1.00 . B B . 21 DA OP1 1 1 8 3746 2 2 2 DA OP2 O 7.221 8.079 1.379 1.00 . B B . 21 DA OP2 1 1 8 3747 2 2 2 DA P P 7.578 6.936 0.504 1.00 . B B . 21 DA P 1 1 8 3748 2 2 3 DC C1' C -1.996 7.425 -0.119 1.00 . B B . 22 DC C1' 1 1 8 3749 2 2 3 DC C2 C -1.742 7.513 -2.609 1.00 . B B . 22 DC C2 1 1 8 3750 2 2 3 DC C2' C -1.487 6.936 1.262 1.00 . B B . 22 DC C2' 1 1 8 3751 2 2 3 DC C3' C -0.977 8.201 1.973 1.00 . B B . 22 DC C3' 1 1 8 3752 2 2 3 DC C4 C -0.177 6.288 -3.758 1.00 . B B . 22 DC C4 1 1 8 3753 2 2 3 DC C4' C -0.949 9.261 0.869 1.00 . B B . 22 DC C4' 1 1 8 3754 2 2 3 DC C5 C 0.176 5.580 -2.588 1.00 . B B . 22 DC C5 1 1 8 3755 2 2 3 DC C5' C 0.392 9.505 0.149 1.00 . B B . 22 DC C5' 1 1 8 3756 2 2 3 DC C6 C -0.380 5.981 -1.419 1.00 . B B . 22 DC C6 1 1 8 3757 2 2 3 DC H1' H -3.052 7.150 -0.211 1.00 . B B . 22 DC H1' 1 1 8 3758 2 2 3 DC H2' H -0.701 6.169 1.226 1.00 . B B . 22 DC H2' 1 1 8 3759 2 2 3 DC H2'' H -2.326 6.516 1.818 1.00 . B B . 22 DC H2'' 1 1 8 3760 2 2 3 DC H3' H 0.023 8.032 2.368 1.00 . B B . 22 DC H3' 1 1 8 3761 2 2 3 DC H4' H -1.263 10.216 1.292 1.00 . B B . 22 DC H4' 1 1 8 3762 2 2 3 DC H41 H 0.164 6.639 -5.677 1.00 . B B . 22 DC H41 1 1 8 3763 2 2 3 DC H42 H 1.153 5.356 -4.939 1.00 . B B . 22 DC H42 1 1 8 3764 2 2 3 DC H5 H 0.886 4.769 -2.601 1.00 . B B . 22 DC H5 1 1 8 3765 2 2 3 DC H5' H 0.244 9.350 -0.918 1.00 . B B . 22 DC H5' 1 1 8 3766 2 2 3 DC H5'' H 0.643 10.557 0.288 1.00 . B B . 22 DC H5'' 1 1 8 3767 2 2 3 DC H6 H -0.102 5.493 -0.511 1.00 . B B . 22 DC H6 1 1 8 3768 2 2 3 DC N1 N -1.306 6.987 -1.382 1.00 . B B . 22 DC N1 1 1 8 3769 2 2 3 DC N3 N -1.085 7.235 -3.763 1.00 . B B . 22 DC N3 1 1 8 3770 2 2 3 DC N4 N 0.441 6.080 -4.881 1.00 . B B . 22 DC N4 1 1 8 3771 2 2 3 DC O2 O -2.765 8.186 -2.718 1.00 . B B . 22 DC O2 1 1 8 3772 2 2 3 DC O3' O -1.856 8.637 3.010 1.00 . B B . 22 DC O3' 1 1 8 3773 2 2 3 DC O4' O -1.936 8.839 -0.051 1.00 . B B . 22 DC O4' 1 1 8 3774 2 2 3 DC O5' O 1.489 8.711 0.586 1.00 . B B . 22 DC O5' 1 1 8 3775 2 2 3 DC OP1 O 3.160 10.500 0.071 1.00 . B B . 22 DC OP1 1 1 8 3776 2 2 3 DC OP2 O 3.931 8.281 0.922 1.00 . B B . 22 DC OP2 1 1 8 3777 2 2 3 DC P P 2.980 9.038 0.091 1.00 . B B . 22 DC P 1 1 8 3778 2 2 4 DG C1' C -0.512 3.391 4.707 1.00 . B B . 23 DG C1' 1 1 8 3779 2 2 4 DG C2 C 2.673 6.383 3.869 1.00 . B B . 23 DG C2 1 1 8 3780 2 2 4 DG C2' C -1.502 2.844 5.745 1.00 . B B . 23 DG C2' 1 1 8 3781 2 2 4 DG C3' C -2.551 3.940 5.946 1.00 . B B . 23 DG C3' 1 1 8 3782 2 2 4 DG C4 C 1.765 4.626 4.933 1.00 . B B . 23 DG C4 1 1 8 3783 2 2 4 DG C4' C -2.416 4.756 4.660 1.00 . B B . 23 DG C4' 1 1 8 3784 2 2 4 DG C5 C 2.920 4.370 5.648 1.00 . B B . 23 DG C5 1 1 8 3785 2 2 4 DG C5' C -2.648 6.265 4.806 1.00 . B B . 23 DG C5' 1 1 8 3786 2 2 4 DG C6 C 4.084 5.185 5.402 1.00 . B B . 23 DG C6 1 1 8 3787 2 2 4 DG C8 C 1.541 2.862 6.178 1.00 . B B . 23 DG C8 1 1 8 3788 2 2 4 DG H1 H 4.635 6.806 4.274 1.00 . B B . 23 DG H1 1 1 8 3789 2 2 4 DG H1' H -0.437 2.666 3.900 1.00 . B B . 23 DG H1' 1 1 8 3790 2 2 4 DG H2' H -1.035 2.628 6.700 1.00 . B B . 23 DG H2' 1 1 8 3791 2 2 4 DG H2'' H -1.929 1.909 5.360 1.00 . B B . 23 DG H2'' 1 1 8 3792 2 2 4 DG H21 H 3.348 7.806 2.616 1.00 . B B . 23 DG H21 1 1 8 3793 2 2 4 DG H22 H 1.655 7.544 2.675 1.00 . B B . 23 DG H22 1 1 8 3794 2 2 4 DG H3' H -2.270 4.557 6.800 1.00 . B B . 23 DG H3' 1 1 8 3795 2 2 4 DG H4' H -3.154 4.383 3.956 1.00 . B B . 23 DG H4' 1 1 8 3796 2 2 4 DG H5' H -3.211 6.590 3.929 1.00 . B B . 23 DG H5' 1 1 8 3797 2 2 4 DG H5'' H -3.249 6.470 5.691 1.00 . B B . 23 DG H5'' 1 1 8 3798 2 2 4 DG H8 H 1.123 1.960 6.591 1.00 . B B . 23 DG H8 1 1 8 3799 2 2 4 DG N1 N 3.864 6.189 4.485 1.00 . B B . 23 DG N1 1 1 8 3800 2 2 4 DG N2 N 2.548 7.428 3.117 1.00 . B B . 23 DG N2 1 1 8 3801 2 2 4 DG N3 N 1.589 5.642 4.041 1.00 . B B . 23 DG N3 1 1 8 3802 2 2 4 DG N7 N 2.749 3.256 6.468 1.00 . B B . 23 DG N7 1 1 8 3803 2 2 4 DG N9 N 0.854 3.644 5.280 1.00 . B B . 23 DG N9 1 1 8 3804 2 2 4 DG O3' O -3.819 3.312 6.146 1.00 . B B . 23 DG O3' 1 1 8 3805 2 2 4 DG O4' O -1.114 4.533 4.133 1.00 . B B . 23 DG O4' 1 1 8 3806 2 2 4 DG O5' O -1.438 7.004 4.874 1.00 . B B . 23 DG O5' 1 1 8 3807 2 2 4 DG O6 O 5.220 5.082 5.873 1.00 . B B . 23 DG O6 1 1 8 3808 2 2 4 DG OP1 O -2.454 9.170 5.399 1.00 . B B . 23 DG OP1 1 1 8 3809 2 2 4 DG OP2 O -0.036 9.041 4.687 1.00 . B B . 23 DG OP2 1 1 8 3810 2 2 4 DG P P -1.420 8.550 4.548 1.00 . B B . 23 DG P 1 1 8 3811 2 2 5 DC C1' C -6.311 4.284 1.231 1.00 . B B . 24 DC C1' 1 1 8 3812 2 2 5 DC C2 C -7.743 2.402 0.436 1.00 . B B . 24 DC C2 1 1 8 3813 2 2 5 DC C2' C -7.238 5.450 0.961 1.00 . B B . 24 DC C2' 1 1 8 3814 2 2 5 DC C3' C -7.551 5.940 2.354 1.00 . B B . 24 DC C3' 1 1 8 3815 2 2 5 DC C4 C -8.669 0.847 1.845 1.00 . B B . 24 DC C4 1 1 8 3816 2 2 5 DC C4' C -6.134 5.898 2.942 1.00 . B B . 24 DC C4' 1 1 8 3817 2 2 5 DC C5 C -8.139 1.490 2.995 1.00 . B B . 24 DC C5 1 1 8 3818 2 2 5 DC C5' C -6.013 5.825 4.480 1.00 . B B . 24 DC C5' 1 1 8 3819 2 2 5 DC C6 C -7.357 2.580 2.790 1.00 . B B . 24 DC C6 1 1 8 3820 2 2 5 DC H1' H -5.701 4.073 0.350 1.00 . B B . 24 DC H1' 1 1 8 3821 2 2 5 DC H2' H -8.103 5.135 0.391 1.00 . B B . 24 DC H2' 1 1 8 3822 2 2 5 DC H2'' H -6.716 6.245 0.467 1.00 . B B . 24 DC H2'' 1 1 8 3823 2 2 5 DC H3' H -8.188 5.204 2.831 1.00 . B B . 24 DC H3' 1 1 8 3824 2 2 5 DC H4' H -5.632 6.812 2.618 1.00 . B B . 24 DC H4' 1 1 8 3825 2 2 5 DC H41 H -9.619 -0.716 1.101 1.00 . B B . 24 DC H41 1 1 8 3826 2 2 5 DC H42 H -9.541 -0.645 2.865 1.00 . B B . 24 DC H42 1 1 8 3827 2 2 5 DC H5 H -8.326 1.128 3.995 1.00 . B B . 24 DC H5 1 1 8 3828 2 2 5 DC H5' H -5.226 6.503 4.794 1.00 . B B . 24 DC H5' 1 1 8 3829 2 2 5 DC H5'' H -6.931 6.189 4.941 1.00 . B B . 24 DC H5'' 1 1 8 3830 2 2 5 DC H6 H -6.908 3.086 3.625 1.00 . B B . 24 DC H6 1 1 8 3831 2 2 5 DC N1 N -7.127 3.052 1.520 1.00 . B B . 24 DC N1 1 1 8 3832 2 2 5 DC N3 N -8.497 1.286 0.616 1.00 . B B . 24 DC N3 1 1 8 3833 2 2 5 DC N4 N -9.432 -0.199 1.958 1.00 . B B . 24 DC N4 1 1 8 3834 2 2 5 DC O2 O -7.697 2.850 -0.711 1.00 . B B . 24 DC O2 1 1 8 3835 2 2 5 DC O3' O -8.160 7.223 2.310 1.00 . B B . 24 DC O3' 1 1 8 3836 2 2 5 DC O4' O -5.500 4.791 2.292 1.00 . B B . 24 DC O4' 1 1 8 3837 2 2 5 DC O5' O -5.723 4.498 4.917 1.00 . B B . 24 DC O5' 1 1 8 3838 2 2 5 DC OP1 O -4.915 5.341 7.139 1.00 . B B . 24 DC OP1 1 1 8 3839 2 2 5 DC OP2 O -6.184 3.149 6.934 1.00 . B B . 24 DC OP2 1 1 8 3840 2 2 5 DC P P -5.196 4.104 6.376 1.00 . B B . 24 DC P 1 1 8 3841 2 2 6 DC C1' C -11.348 4.192 6.443 1.00 . B B . 25 DC C1' 1 1 8 3842 2 2 6 DC C2 C -12.891 2.465 7.364 1.00 . B B . 25 DC C2 1 1 8 3843 2 2 6 DC C2' C -10.210 3.641 5.583 1.00 . B B . 25 DC C2' 1 1 8 3844 2 2 6 DC C3' C -9.243 4.826 5.588 1.00 . B B . 25 DC C3' 1 1 8 3845 2 2 6 DC C4 C -14.967 2.089 6.471 1.00 . B B . 25 DC C4 1 1 8 3846 2 2 6 DC C4' C -10.190 6.026 5.787 1.00 . B B . 25 DC C4' 1 1 8 3847 2 2 6 DC C5 C -14.749 3.024 5.425 1.00 . B B . 25 DC C5 1 1 8 3848 2 2 6 DC C5' C -10.118 7.071 4.669 1.00 . B B . 25 DC C5' 1 1 8 3849 2 2 6 DC C6 C -13.551 3.657 5.391 1.00 . B B . 25 DC C6 1 1 8 3850 2 2 6 DC H1' H -11.004 4.228 7.483 1.00 . B B . 25 DC H1' 1 1 8 3851 2 2 6 DC H2' H -10.558 3.436 4.571 1.00 . B B . 25 DC H2' 1 1 8 3852 2 2 6 DC H2'' H -9.769 2.747 6.027 1.00 . B B . 25 DC H2'' 1 1 8 3853 2 2 6 DC H3' H -8.681 4.902 4.648 1.00 . B B . 25 DC H3' 1 1 8 3854 2 2 6 DC H4' H -9.908 6.526 6.716 1.00 . B B . 25 DC H4' 1 1 8 3855 2 2 6 DC H41 H -16.255 0.809 7.283 1.00 . B B . 25 DC H41 1 1 8 3856 2 2 6 DC H42 H -16.842 1.714 5.882 1.00 . B B . 25 DC H42 1 1 8 3857 2 2 6 DC H5 H -15.491 3.235 4.671 1.00 . B B . 25 DC H5 1 1 8 3858 2 2 6 DC H5' H -10.879 7.831 4.846 1.00 . B B . 25 DC H5' 1 1 8 3859 2 2 6 DC H5'' H -9.141 7.546 4.742 1.00 . B B . 25 DC H5'' 1 1 8 3860 2 2 6 DC H6 H -13.330 4.378 4.609 1.00 . B B . 25 DC H6 1 1 8 3861 2 2 6 DC HO3' H -7.734 4.013 6.610 1.00 . B B . 25 DC HO3' 1 1 8 3862 2 2 6 DC N1 N -12.615 3.409 6.364 1.00 . B B . 25 DC N1 1 1 8 3863 2 2 6 DC N3 N -14.086 1.827 7.413 1.00 . B B . 25 DC N3 1 1 8 3864 2 2 6 DC N4 N -16.139 1.537 6.589 1.00 . B B . 25 DC N4 1 1 8 3865 2 2 6 DC O2 O -12.067 2.200 8.242 1.00 . B B . 25 DC O2 1 1 8 3866 2 2 6 DC O3' O -8.387 4.739 6.722 1.00 . B B . 25 DC O3' 1 1 8 3867 2 2 6 DC O4' O -11.502 5.514 5.959 1.00 . B B . 25 DC O4' 1 1 8 3868 2 2 6 DC O5' O -10.274 6.523 3.363 1.00 . B B . 25 DC O5' 1 1 8 3869 2 2 6 DC OP1 O -10.096 6.604 0.861 1.00 . B B . 25 DC OP1 1 1 8 3870 2 2 6 DC OP2 O -10.150 8.739 2.245 1.00 . B B . 25 DC OP2 1 1 8 3871 2 2 6 DC P P -9.739 7.327 2.093 1.00 . B B . 25 DC P 1 1 8 3872 3 3 1 ZN ZN ZN 0.573 -4.083 0.020 1.00 . C A . 26 ZN ZN 1 1 9 3873 1 1 1 LYS C C -3.868 -11.055 5.965 1.00 . A A . 1 LYS C 1 1 9 3874 1 1 1 LYS CA C -5.293 -11.341 6.454 1.00 . A A . 1 LYS CA 1 1 9 3875 1 1 1 LYS CB C -5.821 -12.740 6.055 1.00 . A A . 1 LYS CB 1 1 9 3876 1 1 1 LYS CD C -6.577 -14.416 4.301 1.00 . A A . 1 LYS CD 1 1 9 3877 1 1 1 LYS CE C -6.572 -14.730 2.798 1.00 . A A . 1 LYS CE 1 1 9 3878 1 1 1 LYS CG C -5.991 -13.022 4.551 1.00 . A A . 1 LYS CG 1 1 9 3879 1 1 1 LYS H1 H -5.993 -9.805 5.231 1.00 . A A . 1 LYS H1 1 1 9 3880 1 1 1 LYS H2 H -6.240 -9.530 6.821 1.00 . A A . 1 LYS H2 1 1 9 3881 1 1 1 LYS H3 H -7.182 -10.604 6.019 1.00 . A A . 1 LYS H3 1 1 9 3882 1 1 1 LYS HA H -5.228 -11.354 7.543 1.00 . A A . 1 LYS HA 1 1 9 3883 1 1 1 LYS HB2 H -5.136 -13.484 6.463 1.00 . A A . 1 LYS HB2 1 1 9 3884 1 1 1 LYS HB3 H -6.787 -12.885 6.543 1.00 . A A . 1 LYS HB3 1 1 9 3885 1 1 1 LYS HD2 H -5.983 -15.164 4.830 1.00 . A A . 1 LYS HD2 1 1 9 3886 1 1 1 LYS HD3 H -7.596 -14.446 4.681 1.00 . A A . 1 LYS HD3 1 1 9 3887 1 1 1 LYS HE2 H -7.220 -14.011 2.287 1.00 . A A . 1 LYS HE2 1 1 9 3888 1 1 1 LYS HE3 H -5.555 -14.601 2.417 1.00 . A A . 1 LYS HE3 1 1 9 3889 1 1 1 LYS HG2 H -6.662 -12.281 4.115 1.00 . A A . 1 LYS HG2 1 1 9 3890 1 1 1 LYS HG3 H -5.020 -12.964 4.058 1.00 . A A . 1 LYS HG3 1 1 9 3891 1 1 1 LYS HZ1 H -6.434 -16.807 2.969 1.00 . A A . 1 LYS HZ1 1 1 9 3892 1 1 1 LYS HZ2 H -6.994 -16.298 1.518 1.00 . A A . 1 LYS HZ2 1 1 9 3893 1 1 1 LYS HZ3 H -7.967 -16.267 2.857 1.00 . A A . 1 LYS HZ3 1 1 9 3894 1 1 1 LYS N N -6.237 -10.254 6.109 1.00 . A A . 1 LYS N 1 1 9 3895 1 1 1 LYS NZ N -7.029 -16.110 2.518 1.00 . A A . 1 LYS NZ 1 1 9 3896 1 1 1 LYS O O -2.936 -11.099 6.773 1.00 . A A . 1 LYS O 1 1 9 3897 1 1 2 GLY C C -2.235 -8.850 4.141 1.00 . A A . 2 GLY C 1 1 9 3898 1 1 2 GLY CA C -2.422 -10.366 4.051 1.00 . A A . 2 GLY CA 1 1 9 3899 1 1 2 GLY H H -4.511 -10.721 4.078 1.00 . A A . 2 GLY H 1 1 9 3900 1 1 2 GLY HA2 H -1.576 -10.862 4.522 1.00 . A A . 2 GLY HA2 1 1 9 3901 1 1 2 GLY HA3 H -2.436 -10.664 3.004 1.00 . A A . 2 GLY HA3 1 1 9 3902 1 1 2 GLY N N -3.684 -10.787 4.668 1.00 . A A . 2 GLY N 1 1 9 3903 1 1 2 GLY O O -2.425 -8.267 5.210 1.00 . A A . 2 GLY O 1 1 9 3904 1 1 3 CYS C C -3.192 -6.076 3.232 1.00 . A A . 3 CYS C 1 1 9 3905 1 1 3 CYS CA C -1.876 -6.766 2.837 1.00 . A A . 3 CYS CA 1 1 9 3906 1 1 3 CYS CB C -1.572 -6.452 1.368 1.00 . A A . 3 CYS CB 1 1 9 3907 1 1 3 CYS H H -1.665 -8.782 2.214 1.00 . A A . 3 CYS H 1 1 9 3908 1 1 3 CYS HA H -1.059 -6.378 3.447 1.00 . A A . 3 CYS HA 1 1 9 3909 1 1 3 CYS HB2 H -0.891 -7.201 0.968 1.00 . A A . 3 CYS HB2 1 1 9 3910 1 1 3 CYS HB3 H -2.507 -6.524 0.820 1.00 . A A . 3 CYS HB3 1 1 9 3911 1 1 3 CYS N N -1.919 -8.215 3.010 1.00 . A A . 3 CYS N 1 1 9 3912 1 1 3 CYS O O -4.264 -6.679 3.296 1.00 . A A . 3 CYS O 1 1 9 3913 1 1 3 CYS SG S -0.899 -4.770 1.196 1.00 . A A . 3 CYS SG 1 1 9 3914 1 1 4 TRP C C -4.949 -3.473 2.269 1.00 . A A . 4 TRP C 1 1 9 3915 1 1 4 TRP CA C -4.235 -3.838 3.579 1.00 . A A . 4 TRP CA 1 1 9 3916 1 1 4 TRP CB C -3.636 -2.597 4.240 1.00 . A A . 4 TRP CB 1 1 9 3917 1 1 4 TRP CD1 C -5.483 -0.822 4.072 1.00 . A A . 4 TRP CD1 1 1 9 3918 1 1 4 TRP CD2 C -3.450 -0.144 3.434 1.00 . A A . 4 TRP CD2 1 1 9 3919 1 1 4 TRP CE2 C -4.321 0.957 3.227 1.00 . A A . 4 TRP CE2 1 1 9 3920 1 1 4 TRP CE3 C -2.095 0.010 3.107 1.00 . A A . 4 TRP CE3 1 1 9 3921 1 1 4 TRP CG C -4.211 -1.260 3.942 1.00 . A A . 4 TRP CG 1 1 9 3922 1 1 4 TRP CH2 C -2.492 2.295 2.367 1.00 . A A . 4 TRP CH2 1 1 9 3923 1 1 4 TRP CZ2 C -3.853 2.162 2.690 1.00 . A A . 4 TRP CZ2 1 1 9 3924 1 1 4 TRP CZ3 C -1.625 1.210 2.582 1.00 . A A . 4 TRP CZ3 1 1 9 3925 1 1 4 TRP H H -2.197 -4.373 3.217 1.00 . A A . 4 TRP H 1 1 9 3926 1 1 4 TRP HA H -4.976 -4.275 4.251 1.00 . A A . 4 TRP HA 1 1 9 3927 1 1 4 TRP HB2 H -3.602 -2.699 5.309 1.00 . A A . 4 TRP HB2 1 1 9 3928 1 1 4 TRP HB3 H -2.595 -2.541 3.924 1.00 . A A . 4 TRP HB3 1 1 9 3929 1 1 4 TRP HD1 H -6.314 -1.423 4.430 1.00 . A A . 4 TRP HD1 1 1 9 3930 1 1 4 TRP HE1 H -6.416 1.022 3.591 1.00 . A A . 4 TRP HE1 1 1 9 3931 1 1 4 TRP HE3 H -1.412 -0.814 3.227 1.00 . A A . 4 TRP HE3 1 1 9 3932 1 1 4 TRP HH2 H -2.124 3.216 1.943 1.00 . A A . 4 TRP HH2 1 1 9 3933 1 1 4 TRP HZ2 H -4.547 2.942 2.454 1.00 . A A . 4 TRP HZ2 1 1 9 3934 1 1 4 TRP HZ3 H -0.589 1.250 2.337 1.00 . A A . 4 TRP HZ3 1 1 9 3935 1 1 4 TRP N N -3.117 -4.762 3.380 1.00 . A A . 4 TRP N 1 1 9 3936 1 1 4 TRP NE1 N -5.555 0.491 3.637 1.00 . A A . 4 TRP NE1 1 1 9 3937 1 1 4 TRP O O -6.176 -3.340 2.261 1.00 . A A . 4 TRP O 1 1 9 3938 1 1 5 LYS C C -4.462 -3.781 -1.291 1.00 . A A . 5 LYS C 1 1 9 3939 1 1 5 LYS CA C -4.708 -2.830 -0.125 1.00 . A A . 5 LYS CA 1 1 9 3940 1 1 5 LYS CB C -4.193 -1.398 -0.390 1.00 . A A . 5 LYS CB 1 1 9 3941 1 1 5 LYS CD C -2.868 -1.313 -2.654 1.00 . A A . 5 LYS CD 1 1 9 3942 1 1 5 LYS CE C -3.676 -0.217 -3.368 1.00 . A A . 5 LYS CE 1 1 9 3943 1 1 5 LYS CG C -2.849 -1.216 -1.114 1.00 . A A . 5 LYS CG 1 1 9 3944 1 1 5 LYS H H -3.195 -3.449 1.281 1.00 . A A . 5 LYS H 1 1 9 3945 1 1 5 LYS HA H -5.790 -2.748 -0.045 1.00 . A A . 5 LYS HA 1 1 9 3946 1 1 5 LYS HB2 H -4.944 -0.870 -0.964 1.00 . A A . 5 LYS HB2 1 1 9 3947 1 1 5 LYS HB3 H -4.125 -0.884 0.571 1.00 . A A . 5 LYS HB3 1 1 9 3948 1 1 5 LYS HD2 H -1.845 -1.230 -3.005 1.00 . A A . 5 LYS HD2 1 1 9 3949 1 1 5 LYS HD3 H -3.200 -2.293 -2.983 1.00 . A A . 5 LYS HD3 1 1 9 3950 1 1 5 LYS HE2 H -3.642 0.701 -2.779 1.00 . A A . 5 LYS HE2 1 1 9 3951 1 1 5 LYS HE3 H -3.185 -0.011 -4.324 1.00 . A A . 5 LYS HE3 1 1 9 3952 1 1 5 LYS HG2 H -2.472 -0.227 -0.851 1.00 . A A . 5 LYS HG2 1 1 9 3953 1 1 5 LYS HG3 H -2.145 -1.945 -0.718 1.00 . A A . 5 LYS HG3 1 1 9 3954 1 1 5 LYS HZ1 H -5.118 -1.460 -4.199 1.00 . A A . 5 LYS HZ1 1 1 9 3955 1 1 5 LYS HZ2 H -5.581 0.122 -4.119 1.00 . A A . 5 LYS HZ2 1 1 9 3956 1 1 5 LYS HZ3 H -5.598 -0.767 -2.778 1.00 . A A . 5 LYS HZ3 1 1 9 3957 1 1 5 LYS N N -4.193 -3.319 1.169 1.00 . A A . 5 LYS N 1 1 9 3958 1 1 5 LYS NZ N -5.077 -0.614 -3.637 1.00 . A A . 5 LYS NZ 1 1 9 3959 1 1 5 LYS O O -5.300 -3.863 -2.194 1.00 . A A . 5 LYS O 1 1 9 3960 1 1 6 CYS C C -3.738 -6.543 -2.529 1.00 . A A . 6 CYS C 1 1 9 3961 1 1 6 CYS CA C -2.856 -5.287 -2.398 1.00 . A A . 6 CYS CA 1 1 9 3962 1 1 6 CYS CB C -1.356 -5.594 -2.190 1.00 . A A . 6 CYS CB 1 1 9 3963 1 1 6 CYS H H -2.669 -4.321 -0.529 1.00 . A A . 6 CYS H 1 1 9 3964 1 1 6 CYS HA H -2.959 -4.707 -3.316 1.00 . A A . 6 CYS HA 1 1 9 3965 1 1 6 CYS HB2 H -1.239 -6.316 -1.380 1.00 . A A . 6 CYS HB2 1 1 9 3966 1 1 6 CYS HB3 H -0.978 -6.054 -3.106 1.00 . A A . 6 CYS HB3 1 1 9 3967 1 1 6 CYS N N -3.321 -4.471 -1.284 1.00 . A A . 6 CYS N 1 1 9 3968 1 1 6 CYS O O -4.387 -6.760 -3.549 1.00 . A A . 6 CYS O 1 1 9 3969 1 1 6 CYS SG S -0.378 -4.096 -1.822 1.00 . A A . 6 CYS SG 1 1 9 3970 1 1 7 GLY C C -4.014 -9.798 -1.164 1.00 . A A . 7 GLY C 1 1 9 3971 1 1 7 GLY CA C -4.723 -8.447 -1.237 1.00 . A A . 7 GLY CA 1 1 9 3972 1 1 7 GLY H H -3.302 -6.976 -0.645 1.00 . A A . 7 GLY H 1 1 9 3973 1 1 7 GLY HA2 H -5.214 -8.301 -0.280 1.00 . A A . 7 GLY HA2 1 1 9 3974 1 1 7 GLY HA3 H -5.468 -8.490 -2.031 1.00 . A A . 7 GLY HA3 1 1 9 3975 1 1 7 GLY N N -3.838 -7.295 -1.430 1.00 . A A . 7 GLY N 1 1 9 3976 1 1 7 GLY O O -4.601 -10.839 -1.461 1.00 . A A . 7 GLY O 1 1 9 3977 1 1 8 LYS C C -0.979 -10.930 0.458 1.00 . A A . 8 LYS C 1 1 9 3978 1 1 8 LYS CA C -1.778 -10.890 -0.844 1.00 . A A . 8 LYS CA 1 1 9 3979 1 1 8 LYS CB C -0.814 -10.657 -2.027 1.00 . A A . 8 LYS CB 1 1 9 3980 1 1 8 LYS CD C -0.497 -9.882 -4.478 1.00 . A A . 8 LYS CD 1 1 9 3981 1 1 8 LYS CE C 0.066 -8.448 -4.470 1.00 . A A . 8 LYS CE 1 1 9 3982 1 1 8 LYS CG C -1.485 -10.205 -3.345 1.00 . A A . 8 LYS CG 1 1 9 3983 1 1 8 LYS H H -2.354 -8.888 -0.498 1.00 . A A . 8 LYS H 1 1 9 3984 1 1 8 LYS HA H -2.299 -11.840 -0.974 1.00 . A A . 8 LYS HA 1 1 9 3985 1 1 8 LYS HB2 H -0.099 -9.899 -1.721 1.00 . A A . 8 LYS HB2 1 1 9 3986 1 1 8 LYS HB3 H -0.259 -11.577 -2.215 1.00 . A A . 8 LYS HB3 1 1 9 3987 1 1 8 LYS HD2 H 0.318 -10.604 -4.478 1.00 . A A . 8 LYS HD2 1 1 9 3988 1 1 8 LYS HD3 H -1.036 -9.997 -5.420 1.00 . A A . 8 LYS HD3 1 1 9 3989 1 1 8 LYS HE2 H 0.670 -8.320 -5.375 1.00 . A A . 8 LYS HE2 1 1 9 3990 1 1 8 LYS HE3 H -0.762 -7.734 -4.533 1.00 . A A . 8 LYS HE3 1 1 9 3991 1 1 8 LYS HG2 H -2.139 -11.008 -3.683 1.00 . A A . 8 LYS HG2 1 1 9 3992 1 1 8 LYS HG3 H -2.096 -9.314 -3.193 1.00 . A A . 8 LYS HG3 1 1 9 3993 1 1 8 LYS HZ1 H 1.592 -8.890 -3.133 1.00 . A A . 8 LYS HZ1 1 1 9 3994 1 1 8 LYS HZ2 H 0.380 -8.067 -2.428 1.00 . A A . 8 LYS HZ2 1 1 9 3995 1 1 8 LYS HZ3 H 1.423 -7.275 -3.407 1.00 . A A . 8 LYS HZ3 1 1 9 3996 1 1 8 LYS N N -2.734 -9.777 -0.783 1.00 . A A . 8 LYS N 1 1 9 3997 1 1 8 LYS NZ N 0.910 -8.148 -3.287 1.00 . A A . 8 LYS NZ 1 1 9 3998 1 1 8 LYS O O -0.766 -9.871 1.046 1.00 . A A . 8 LYS O 1 1 9 3999 1 1 9 GLU C C 1.876 -11.724 1.706 1.00 . A A . 9 GLU C 1 1 9 4000 1 1 9 GLU CA C 0.433 -12.167 2.059 1.00 . A A . 9 GLU CA 1 1 9 4001 1 1 9 GLU CB C 0.433 -13.562 2.699 1.00 . A A . 9 GLU CB 1 1 9 4002 1 1 9 GLU CD C -0.533 -15.230 4.324 1.00 . A A . 9 GLU CD 1 1 9 4003 1 1 9 GLU CG C -0.828 -13.993 3.453 1.00 . A A . 9 GLU CG 1 1 9 4004 1 1 9 GLU H H -0.723 -12.933 0.408 1.00 . A A . 9 GLU H 1 1 9 4005 1 1 9 GLU HA H 0.093 -11.473 2.823 1.00 . A A . 9 GLU HA 1 1 9 4006 1 1 9 GLU HB2 H 0.658 -14.303 1.928 1.00 . A A . 9 GLU HB2 1 1 9 4007 1 1 9 GLU HB3 H 1.233 -13.565 3.439 1.00 . A A . 9 GLU HB3 1 1 9 4008 1 1 9 GLU HG2 H -1.154 -13.173 4.098 1.00 . A A . 9 GLU HG2 1 1 9 4009 1 1 9 GLU HG3 H -1.624 -14.215 2.742 1.00 . A A . 9 GLU HG3 1 1 9 4010 1 1 9 GLU N N -0.498 -12.082 0.911 1.00 . A A . 9 GLU N 1 1 9 4011 1 1 9 GLU O O 2.846 -12.431 1.978 1.00 . A A . 9 GLU O 1 1 9 4012 1 1 9 GLU OE1 O 0.498 -15.917 4.118 1.00 . A A . 9 GLU OE1 1 1 9 4013 1 1 9 GLU OE2 O -1.311 -15.548 5.253 1.00 . A A . 9 GLU OE2 1 1 9 4014 1 1 10 GLY C C 3.945 -9.144 1.830 1.00 . A A . 10 GLY C 1 1 9 4015 1 1 10 GLY CA C 3.344 -10.003 0.718 1.00 . A A . 10 GLY CA 1 1 9 4016 1 1 10 GLY H H 1.215 -9.992 0.899 1.00 . A A . 10 GLY H 1 1 9 4017 1 1 10 GLY HA2 H 4.045 -10.807 0.487 1.00 . A A . 10 GLY HA2 1 1 9 4018 1 1 10 GLY HA3 H 3.236 -9.383 -0.172 1.00 . A A . 10 GLY HA3 1 1 9 4019 1 1 10 GLY N N 2.035 -10.557 1.072 1.00 . A A . 10 GLY N 1 1 9 4020 1 1 10 GLY O O 5.150 -9.225 2.076 1.00 . A A . 10 GLY O 1 1 9 4021 1 1 11 HIS C C 2.278 -6.762 4.241 1.00 . A A . 11 HIS C 1 1 9 4022 1 1 11 HIS CA C 3.506 -7.336 3.490 1.00 . A A . 11 HIS CA 1 1 9 4023 1 1 11 HIS CB C 4.286 -6.214 2.776 1.00 . A A . 11 HIS CB 1 1 9 4024 1 1 11 HIS CD2 C 2.375 -4.968 1.627 1.00 . A A . 11 HIS CD2 1 1 9 4025 1 1 11 HIS CE1 C 3.154 -4.765 -0.403 1.00 . A A . 11 HIS CE1 1 1 9 4026 1 1 11 HIS CG C 3.577 -5.605 1.589 1.00 . A A . 11 HIS CG 1 1 9 4027 1 1 11 HIS H H 2.118 -8.392 2.295 1.00 . A A . 11 HIS H 1 1 9 4028 1 1 11 HIS HA H 4.153 -7.820 4.221 1.00 . A A . 11 HIS HA 1 1 9 4029 1 1 11 HIS HB2 H 4.460 -5.430 3.501 1.00 . A A . 11 HIS HB2 1 1 9 4030 1 1 11 HIS HB3 H 5.257 -6.590 2.457 1.00 . A A . 11 HIS HB3 1 1 9 4031 1 1 11 HIS HD1 H 5.009 -5.661 0.000 1.00 . A A . 11 HIS HD1 1 1 9 4032 1 1 11 HIS HD2 H 1.861 -4.714 2.548 1.00 . A A . 11 HIS HD2 1 1 9 4033 1 1 11 HIS HE1 H 3.315 -4.395 -1.404 1.00 . A A . 11 HIS HE1 1 1 9 4034 1 1 11 HIS N N 3.108 -8.323 2.483 1.00 . A A . 11 HIS N 1 1 9 4035 1 1 11 HIS ND1 N 4.056 -5.460 0.309 1.00 . A A . 11 HIS ND1 1 1 9 4036 1 1 11 HIS NE2 N 2.056 -4.502 0.335 1.00 . A A . 11 HIS NE2 1 1 9 4037 1 1 11 HIS O O 1.147 -7.163 3.971 1.00 . A A . 11 HIS O 1 1 9 4038 1 1 12 GLN C C 1.783 -3.461 5.622 1.00 . A A . 12 GLN C 1 1 9 4039 1 1 12 GLN CA C 1.496 -4.955 5.837 1.00 . A A . 12 GLN CA 1 1 9 4040 1 1 12 GLN CB C 1.496 -5.441 7.298 1.00 . A A . 12 GLN CB 1 1 9 4041 1 1 12 GLN CD C 0.299 -5.542 9.529 1.00 . A A . 12 GLN CD 1 1 9 4042 1 1 12 GLN CG C 0.477 -4.773 8.229 1.00 . A A . 12 GLN CG 1 1 9 4043 1 1 12 GLN H H 3.458 -5.606 5.366 1.00 . A A . 12 GLN H 1 1 9 4044 1 1 12 GLN HA H 0.494 -5.046 5.429 1.00 . A A . 12 GLN HA 1 1 9 4045 1 1 12 GLN HB2 H 1.279 -6.510 7.287 1.00 . A A . 12 GLN HB2 1 1 9 4046 1 1 12 GLN HB3 H 2.495 -5.311 7.707 1.00 . A A . 12 GLN HB3 1 1 9 4047 1 1 12 GLN HE21 H 2.132 -5.040 10.222 1.00 . A A . 12 GLN HE21 1 1 9 4048 1 1 12 GLN HE22 H 1.155 -6.135 11.217 1.00 . A A . 12 GLN HE22 1 1 9 4049 1 1 12 GLN HG2 H 0.814 -3.767 8.477 1.00 . A A . 12 GLN HG2 1 1 9 4050 1 1 12 GLN HG3 H -0.487 -4.724 7.727 1.00 . A A . 12 GLN HG3 1 1 9 4051 1 1 12 GLN N N 2.490 -5.784 5.127 1.00 . A A . 12 GLN N 1 1 9 4052 1 1 12 GLN NE2 N 1.251 -5.506 10.428 1.00 . A A . 12 GLN NE2 1 1 9 4053 1 1 12 GLN O O 2.730 -3.104 4.928 1.00 . A A . 12 GLN O 1 1 9 4054 1 1 12 GLN OE1 O -0.704 -6.205 9.763 1.00 . A A . 12 GLN OE1 1 1 9 4055 1 1 13 MET C C 2.076 -0.382 5.662 1.00 . A A . 13 MET C 1 1 9 4056 1 1 13 MET CA C 0.782 -1.180 5.645 1.00 . A A . 13 MET CA 1 1 9 4057 1 1 13 MET CB C -0.306 -0.424 6.415 1.00 . A A . 13 MET CB 1 1 9 4058 1 1 13 MET CE C -3.225 -2.913 8.066 1.00 . A A . 13 MET CE 1 1 9 4059 1 1 13 MET CG C -1.557 -1.264 6.613 1.00 . A A . 13 MET CG 1 1 9 4060 1 1 13 MET H H 0.193 -2.905 6.733 1.00 . A A . 13 MET H 1 1 9 4061 1 1 13 MET HA H 0.457 -1.188 4.611 1.00 . A A . 13 MET HA 1 1 9 4062 1 1 13 MET HB2 H 0.067 -0.101 7.387 1.00 . A A . 13 MET HB2 1 1 9 4063 1 1 13 MET HB3 H -0.584 0.450 5.827 1.00 . A A . 13 MET HB3 1 1 9 4064 1 1 13 MET HE1 H -4.002 -2.167 7.910 1.00 . A A . 13 MET HE1 1 1 9 4065 1 1 13 MET HE2 H -3.220 -3.609 7.234 1.00 . A A . 13 MET HE2 1 1 9 4066 1 1 13 MET HE3 H -3.437 -3.469 8.977 1.00 . A A . 13 MET HE3 1 1 9 4067 1 1 13 MET HG2 H -2.430 -0.644 6.525 1.00 . A A . 13 MET HG2 1 1 9 4068 1 1 13 MET HG3 H -1.620 -1.956 5.788 1.00 . A A . 13 MET HG3 1 1 9 4069 1 1 13 MET N N 0.923 -2.568 6.123 1.00 . A A . 13 MET N 1 1 9 4070 1 1 13 MET O O 2.273 0.423 4.762 1.00 . A A . 13 MET O 1 1 9 4071 1 1 13 MET SD S -1.611 -2.112 8.206 1.00 . A A . 13 MET SD 1 1 9 4072 1 1 14 LYS C C 5.213 -0.396 5.621 1.00 . A A . 14 LYS C 1 1 9 4073 1 1 14 LYS CA C 4.271 -0.050 6.775 1.00 . A A . 14 LYS CA 1 1 9 4074 1 1 14 LYS CB C 4.858 -0.515 8.117 1.00 . A A . 14 LYS CB 1 1 9 4075 1 1 14 LYS CD C 4.053 -0.476 10.559 1.00 . A A . 14 LYS CD 1 1 9 4076 1 1 14 LYS CE C 2.853 -1.427 10.455 1.00 . A A . 14 LYS CE 1 1 9 4077 1 1 14 LYS CG C 4.309 0.335 9.282 1.00 . A A . 14 LYS CG 1 1 9 4078 1 1 14 LYS H H 2.695 -1.388 7.279 1.00 . A A . 14 LYS H 1 1 9 4079 1 1 14 LYS HA H 4.172 1.035 6.769 1.00 . A A . 14 LYS HA 1 1 9 4080 1 1 14 LYS HB2 H 4.626 -1.572 8.264 1.00 . A A . 14 LYS HB2 1 1 9 4081 1 1 14 LYS HB3 H 5.946 -0.436 8.085 1.00 . A A . 14 LYS HB3 1 1 9 4082 1 1 14 LYS HD2 H 4.946 -1.063 10.769 1.00 . A A . 14 LYS HD2 1 1 9 4083 1 1 14 LYS HD3 H 3.898 0.214 11.389 1.00 . A A . 14 LYS HD3 1 1 9 4084 1 1 14 LYS HE2 H 2.981 -2.058 9.574 1.00 . A A . 14 LYS HE2 1 1 9 4085 1 1 14 LYS HE3 H 2.865 -2.092 11.325 1.00 . A A . 14 LYS HE3 1 1 9 4086 1 1 14 LYS HG2 H 5.035 1.116 9.500 1.00 . A A . 14 LYS HG2 1 1 9 4087 1 1 14 LYS HG3 H 3.385 0.825 8.985 1.00 . A A . 14 LYS HG3 1 1 9 4088 1 1 14 LYS HZ1 H 1.356 -0.219 11.264 1.00 . A A . 14 LYS HZ1 1 1 9 4089 1 1 14 LYS HZ2 H 0.770 -1.355 10.309 1.00 . A A . 14 LYS HZ2 1 1 9 4090 1 1 14 LYS HZ3 H 1.500 0.000 9.673 1.00 . A A . 14 LYS HZ3 1 1 9 4091 1 1 14 LYS N N 2.943 -0.653 6.636 1.00 . A A . 14 LYS N 1 1 9 4092 1 1 14 LYS NZ N 1.553 -0.715 10.399 1.00 . A A . 14 LYS NZ 1 1 9 4093 1 1 14 LYS O O 5.996 0.442 5.199 1.00 . A A . 14 LYS O 1 1 9 4094 1 1 15 ASP C C 5.189 -1.802 2.605 1.00 . A A . 15 ASP C 1 1 9 4095 1 1 15 ASP CA C 5.904 -2.059 3.942 1.00 . A A . 15 ASP CA 1 1 9 4096 1 1 15 ASP CB C 6.205 -3.547 4.113 1.00 . A A . 15 ASP CB 1 1 9 4097 1 1 15 ASP CG C 7.611 -3.789 4.657 1.00 . A A . 15 ASP CG 1 1 9 4098 1 1 15 ASP H H 4.370 -2.227 5.429 1.00 . A A . 15 ASP H 1 1 9 4099 1 1 15 ASP HA H 6.849 -1.512 3.905 1.00 . A A . 15 ASP HA 1 1 9 4100 1 1 15 ASP HB2 H 5.443 -3.995 4.759 1.00 . A A . 15 ASP HB2 1 1 9 4101 1 1 15 ASP HB3 H 6.146 -4.035 3.144 1.00 . A A . 15 ASP HB3 1 1 9 4102 1 1 15 ASP N N 5.116 -1.616 5.096 1.00 . A A . 15 ASP N 1 1 9 4103 1 1 15 ASP O O 5.846 -1.726 1.566 1.00 . A A . 15 ASP O 1 1 9 4104 1 1 15 ASP OD1 O 8.552 -3.843 3.825 1.00 . A A . 15 ASP OD1 1 1 9 4105 1 1 15 ASP OD2 O 7.792 -3.932 5.887 1.00 . A A . 15 ASP OD2 1 1 9 4106 1 1 16 CYS C C 3.014 0.093 1.164 1.00 . A A . 16 CYS C 1 1 9 4107 1 1 16 CYS CA C 2.975 -1.400 1.534 1.00 . A A . 16 CYS CA 1 1 9 4108 1 1 16 CYS CB C 1.573 -1.886 1.931 1.00 . A A . 16 CYS CB 1 1 9 4109 1 1 16 CYS H H 3.431 -1.817 3.553 1.00 . A A . 16 CYS H 1 1 9 4110 1 1 16 CYS HA H 3.302 -1.991 0.685 1.00 . A A . 16 CYS HA 1 1 9 4111 1 1 16 CYS HB2 H 1.640 -2.849 2.391 1.00 . A A . 16 CYS HB2 1 1 9 4112 1 1 16 CYS HB3 H 1.188 -1.307 2.741 1.00 . A A . 16 CYS HB3 1 1 9 4113 1 1 16 CYS N N 3.862 -1.681 2.652 1.00 . A A . 16 CYS N 1 1 9 4114 1 1 16 CYS O O 3.681 0.514 0.223 1.00 . A A . 16 CYS O 1 1 9 4115 1 1 16 CYS SG S 0.428 -1.885 0.539 1.00 . A A . 16 CYS SG 1 1 9 4116 1 1 17 THR C C 1.090 2.593 0.521 1.00 . A A . 17 THR C 1 1 9 4117 1 1 17 THR CA C 1.918 2.298 1.777 1.00 . A A . 17 THR CA 1 1 9 4118 1 1 17 THR CB C 3.074 3.301 1.992 1.00 . A A . 17 THR CB 1 1 9 4119 1 1 17 THR CG2 C 4.068 2.852 3.045 1.00 . A A . 17 THR CG2 1 1 9 4120 1 1 17 THR H H 1.992 0.461 2.826 1.00 . A A . 17 THR H 1 1 9 4121 1 1 17 THR HA H 1.237 2.514 2.600 1.00 . A A . 17 THR HA 1 1 9 4122 1 1 17 THR HB H 2.643 4.254 2.304 1.00 . A A . 17 THR HB 1 1 9 4123 1 1 17 THR HG1 H 4.163 2.686 0.502 1.00 . A A . 17 THR HG1 1 1 9 4124 1 1 17 THR HG21 H 3.534 2.576 3.950 1.00 . A A . 17 THR HG21 1 1 9 4125 1 1 17 THR HG22 H 4.759 3.666 3.253 1.00 . A A . 17 THR HG22 1 1 9 4126 1 1 17 THR HG23 H 4.616 1.988 2.664 1.00 . A A . 17 THR HG23 1 1 9 4127 1 1 17 THR N N 2.304 0.891 1.967 1.00 . A A . 17 THR N 1 1 9 4128 1 1 17 THR O O 0.946 3.750 0.160 1.00 . A A . 17 THR O 1 1 9 4129 1 1 17 THR OG1 O 3.841 3.537 0.845 1.00 . A A . 17 THR OG1 1 1 9 4130 1 1 18 GLU C C -1.327 2.342 -1.873 1.00 . A A . 18 GLU C 1 1 9 4131 1 1 18 GLU CA C 0.087 1.772 -1.567 1.00 . A A . 18 GLU CA 1 1 9 4132 1 1 18 GLU CB C 0.285 0.452 -2.333 1.00 . A A . 18 GLU CB 1 1 9 4133 1 1 18 GLU CD C 2.593 0.875 -3.405 1.00 . A A . 18 GLU CD 1 1 9 4134 1 1 18 GLU CG C 1.730 0.000 -2.484 1.00 . A A . 18 GLU CG 1 1 9 4135 1 1 18 GLU H H 0.569 0.654 0.187 1.00 . A A . 18 GLU H 1 1 9 4136 1 1 18 GLU HA H 0.810 2.495 -1.949 1.00 . A A . 18 GLU HA 1 1 9 4137 1 1 18 GLU HB2 H -0.249 -0.325 -1.795 1.00 . A A . 18 GLU HB2 1 1 9 4138 1 1 18 GLU HB3 H -0.141 0.524 -3.328 1.00 . A A . 18 GLU HB3 1 1 9 4139 1 1 18 GLU HG2 H 2.155 -0.037 -1.494 1.00 . A A . 18 GLU HG2 1 1 9 4140 1 1 18 GLU HG3 H 1.726 -1.019 -2.881 1.00 . A A . 18 GLU HG3 1 1 9 4141 1 1 18 GLU N N 0.481 1.606 -0.154 1.00 . A A . 18 GLU N 1 1 9 4142 1 1 18 GLU O O -1.779 2.254 -3.019 1.00 . A A . 18 GLU O 1 1 9 4143 1 1 18 GLU OE1 O 2.133 1.894 -3.973 1.00 . A A . 18 GLU OE1 1 1 9 4144 1 1 18 GLU OE2 O 3.749 0.490 -3.698 1.00 . A A . 18 GLU OE2 1 1 9 4145 1 1 19 ARG C C -4.517 2.327 -1.085 1.00 . A A . 19 ARG C 1 1 9 4146 1 1 19 ARG CA C -3.435 3.417 -0.960 1.00 . A A . 19 ARG CA 1 1 9 4147 1 1 19 ARG CB C -3.579 4.493 -2.055 1.00 . A A . 19 ARG CB 1 1 9 4148 1 1 19 ARG CD C -5.561 5.524 -3.277 1.00 . A A . 19 ARG CD 1 1 9 4149 1 1 19 ARG CG C -4.870 5.305 -1.929 1.00 . A A . 19 ARG CG 1 1 9 4150 1 1 19 ARG CZ C -7.029 4.240 -4.815 1.00 . A A . 19 ARG CZ 1 1 9 4151 1 1 19 ARG H H -1.633 2.981 0.009 1.00 . A A . 19 ARG H 1 1 9 4152 1 1 19 ARG HA H -3.568 3.880 0.026 1.00 . A A . 19 ARG HA 1 1 9 4153 1 1 19 ARG HB2 H -2.742 5.181 -2.011 1.00 . A A . 19 ARG HB2 1 1 9 4154 1 1 19 ARG HB3 H -3.548 4.015 -3.035 1.00 . A A . 19 ARG HB3 1 1 9 4155 1 1 19 ARG HD2 H -6.318 6.296 -3.147 1.00 . A A . 19 ARG HD2 1 1 9 4156 1 1 19 ARG HD3 H -4.827 5.870 -4.001 1.00 . A A . 19 ARG HD3 1 1 9 4157 1 1 19 ARG HE H -6.005 3.440 -3.285 1.00 . A A . 19 ARG HE 1 1 9 4158 1 1 19 ARG HG2 H -5.570 4.836 -1.237 1.00 . A A . 19 ARG HG2 1 1 9 4159 1 1 19 ARG HG3 H -4.580 6.270 -1.518 1.00 . A A . 19 ARG HG3 1 1 9 4160 1 1 19 ARG HH11 H -6.818 6.148 -5.425 1.00 . A A . 19 ARG HH11 1 1 9 4161 1 1 19 ARG HH12 H -7.948 5.141 -6.330 1.00 . A A . 19 ARG HH12 1 1 9 4162 1 1 19 ARG HH21 H -7.527 2.292 -4.608 1.00 . A A . 19 ARG HH21 1 1 9 4163 1 1 19 ARG HH22 H -8.261 3.172 -5.930 1.00 . A A . 19 ARG HH22 1 1 9 4164 1 1 19 ARG N N -2.042 2.932 -0.902 1.00 . A A . 19 ARG N 1 1 9 4165 1 1 19 ARG NE N -6.205 4.306 -3.787 1.00 . A A . 19 ARG NE 1 1 9 4166 1 1 19 ARG NH1 N -7.286 5.264 -5.572 1.00 . A A . 19 ARG NH1 1 1 9 4167 1 1 19 ARG NH2 N -7.630 3.144 -5.147 1.00 . A A . 19 ARG NH2 1 1 9 4168 1 1 19 ARG O O -5.231 2.243 -2.114 1.00 . A A . 19 ARG O 1 1 9 4169 1 1 19 ARG OXT O -4.726 1.604 -0.099 1.00 . A A . 19 ARG OXT 1 1 9 4170 2 2 1 DT C1' C 9.048 3.538 2.034 1.00 . B B . 20 DT C1' 1 1 9 4171 2 2 1 DT C2 C 9.508 1.105 2.201 1.00 . B B . 20 DT C2 1 1 9 4172 2 2 1 DT C2' C 7.756 3.768 1.260 1.00 . B B . 20 DT C2' 1 1 9 4173 2 2 1 DT C3' C 7.811 5.269 0.988 1.00 . B B . 20 DT C3' 1 1 9 4174 2 2 1 DT C4 C 9.511 -0.024 4.372 1.00 . B B . 20 DT C4 1 1 9 4175 2 2 1 DT C4' C 8.741 5.810 2.092 1.00 . B B . 20 DT C4' 1 1 9 4176 2 2 1 DT C5 C 8.978 1.202 4.953 1.00 . B B . 20 DT C5 1 1 9 4177 2 2 1 DT C5' C 8.171 6.932 2.986 1.00 . B B . 20 DT C5' 1 1 9 4178 2 2 1 DT C6 C 8.735 2.281 4.166 1.00 . B B . 20 DT C6 1 1 9 4179 2 2 1 DT C7 C 8.718 1.304 6.448 1.00 . B B . 20 DT C7 1 1 9 4180 2 2 1 DT H1' H 9.885 3.519 1.327 1.00 . B B . 20 DT H1' 1 1 9 4181 2 2 1 DT H2' H 6.893 3.532 1.886 1.00 . B B . 20 DT H2' 1 1 9 4182 2 2 1 DT H2'' H 7.730 3.185 0.337 1.00 . B B . 20 DT H2'' 1 1 9 4183 2 2 1 DT H3 H 10.024 -0.832 2.561 1.00 . B B . 20 DT H3 1 1 9 4184 2 2 1 DT H3' H 6.801 5.681 1.054 1.00 . B B . 20 DT H3' 1 1 9 4185 2 2 1 DT H4' H 9.632 6.209 1.606 1.00 . B B . 20 DT H4' 1 1 9 4186 2 2 1 DT H5' H 8.834 7.054 3.845 1.00 . B B . 20 DT H5' 1 1 9 4187 2 2 1 DT H5'' H 8.196 7.865 2.426 1.00 . B B . 20 DT H5'' 1 1 9 4188 2 2 1 DT H6 H 8.351 3.186 4.609 1.00 . B B . 20 DT H6 1 1 9 4189 2 2 1 DT H71 H 9.665 1.280 6.981 1.00 . B B . 20 DT H71 1 1 9 4190 2 2 1 DT H72 H 8.116 0.458 6.772 1.00 . B B . 20 DT H72 1 1 9 4191 2 2 1 DT H73 H 8.183 2.222 6.689 1.00 . B B . 20 DT H73 1 1 9 4192 2 2 1 DT HO5' H 6.559 7.449 4.012 1.00 . B B . 20 DT HO5' 1 1 9 4193 2 2 1 DT N1 N 9.044 2.274 2.822 1.00 . B B . 20 DT N1 1 1 9 4194 2 2 1 DT N3 N 9.686 0.002 3.005 1.00 . B B . 20 DT N3 1 1 9 4195 2 2 1 DT O2 O 9.767 1.026 0.999 1.00 . B B . 20 DT O2 1 1 9 4196 2 2 1 DT O3' O 8.384 5.495 -0.295 1.00 . B B . 20 DT O3' 1 1 9 4197 2 2 1 DT O4 O 9.822 -1.044 4.987 1.00 . B B . 20 DT O4 1 1 9 4198 2 2 1 DT O4' O 9.149 4.690 2.858 1.00 . B B . 20 DT O4' 1 1 9 4199 2 2 1 DT O5' O 6.840 6.701 3.443 1.00 . B B . 20 DT O5' 1 1 9 4200 2 2 2 DA C1' C 4.667 4.893 -4.132 1.00 . B B . 21 DA C1' 1 1 9 4201 2 2 2 DA C2 C 8.047 1.986 -4.332 1.00 . B B . 21 DA C2 1 1 9 4202 2 2 2 DA C2' C 3.389 5.559 -3.597 1.00 . B B . 21 DA C2' 1 1 9 4203 2 2 2 DA C3' C 3.885 6.722 -2.741 1.00 . B B . 21 DA C3' 1 1 9 4204 2 2 2 DA C4 C 6.273 2.998 -3.409 1.00 . B B . 21 DA C4 1 1 9 4205 2 2 2 DA C4' C 5.139 7.097 -3.542 1.00 . B B . 21 DA C4' 1 1 9 4206 2 2 2 DA C5 C 6.340 2.214 -2.283 1.00 . B B . 21 DA C5 1 1 9 4207 2 2 2 DA C5' C 6.291 7.630 -2.698 1.00 . B B . 21 DA C5' 1 1 9 4208 2 2 2 DA C6 C 7.376 1.252 -2.288 1.00 . B B . 21 DA C6 1 1 9 4209 2 2 2 DA C8 C 4.689 3.504 -1.980 1.00 . B B . 21 DA C8 1 1 9 4210 2 2 2 DA H1' H 4.470 4.425 -5.098 1.00 . B B . 21 DA H1' 1 1 9 4211 2 2 2 DA H2 H 8.746 1.871 -5.148 1.00 . B B . 21 DA H2 1 1 9 4212 2 2 2 DA H2' H 2.747 4.883 -3.042 1.00 . B B . 21 DA H2' 1 1 9 4213 2 2 2 DA H2'' H 2.813 5.932 -4.427 1.00 . B B . 21 DA H2'' 1 1 9 4214 2 2 2 DA H3' H 4.155 6.362 -1.745 1.00 . B B . 21 DA H3' 1 1 9 4215 2 2 2 DA H4' H 4.857 7.877 -4.250 1.00 . B B . 21 DA H4' 1 1 9 4216 2 2 2 DA H5' H 7.084 7.927 -3.379 1.00 . B B . 21 DA H5' 1 1 9 4217 2 2 2 DA H5'' H 5.967 8.509 -2.144 1.00 . B B . 21 DA H5'' 1 1 9 4218 2 2 2 DA H61 H 8.387 -0.260 -1.391 1.00 . B B . 21 DA H61 1 1 9 4219 2 2 2 DA H62 H 6.991 0.383 -0.527 1.00 . B B . 21 DA H62 1 1 9 4220 2 2 2 DA H8 H 3.817 4.002 -1.561 1.00 . B B . 21 DA H8 1 1 9 4221 2 2 2 DA N1 N 8.233 1.166 -3.305 1.00 . B B . 21 DA N1 1 1 9 4222 2 2 2 DA N3 N 7.097 2.908 -4.503 1.00 . B B . 21 DA N3 1 1 9 4223 2 2 2 DA N6 N 7.617 0.388 -1.320 1.00 . B B . 21 DA N6 1 1 9 4224 2 2 2 DA N7 N 5.334 2.543 -1.379 1.00 . B B . 21 DA N7 1 1 9 4225 2 2 2 DA N9 N 5.208 3.863 -3.199 1.00 . B B . 21 DA N9 1 1 9 4226 2 2 2 DA O3' O 2.924 7.781 -2.690 1.00 . B B . 21 DA O3' 1 1 9 4227 2 2 2 DA O4' O 5.586 5.962 -4.292 1.00 . B B . 21 DA O4' 1 1 9 4228 2 2 2 DA O5' O 6.786 6.649 -1.805 1.00 . B B . 21 DA O5' 1 1 9 4229 2 2 2 DA OP1 O 9.209 7.022 -2.092 1.00 . B B . 21 DA OP1 1 1 9 4230 2 2 2 DA OP2 O 7.933 7.952 -0.081 1.00 . B B . 21 DA OP2 1 1 9 4231 2 2 2 DA P P 8.158 6.872 -1.060 1.00 . B B . 21 DA P 1 1 9 4232 2 2 3 DC C1' C -1.602 7.524 -0.008 1.00 . B B . 22 DC C1' 1 1 9 4233 2 2 3 DC C2 C -1.381 7.976 -2.489 1.00 . B B . 22 DC C2 1 1 9 4234 2 2 3 DC C2' C -1.001 6.850 1.255 1.00 . B B . 22 DC C2' 1 1 9 4235 2 2 3 DC C3' C 0.075 7.836 1.741 1.00 . B B . 22 DC C3' 1 1 9 4236 2 2 3 DC C4 C -0.321 6.489 -3.893 1.00 . B B . 22 DC C4 1 1 9 4237 2 2 3 DC C4' C -0.244 9.126 0.975 1.00 . B B . 22 DC C4' 1 1 9 4238 2 2 3 DC C5 C 0.003 5.630 -2.828 1.00 . B B . 22 DC C5 1 1 9 4239 2 2 3 DC C5' C 0.872 9.603 0.029 1.00 . B B . 22 DC C5' 1 1 9 4240 2 2 3 DC C6 C -0.339 6.036 -1.585 1.00 . B B . 22 DC C6 1 1 9 4241 2 2 3 DC H1' H -2.667 7.292 -0.054 1.00 . B B . 22 DC H1' 1 1 9 4242 2 2 3 DC H2' H -0.547 5.871 1.096 1.00 . B B . 22 DC H2' 1 1 9 4243 2 2 3 DC H2'' H -1.803 6.707 1.974 1.00 . B B . 22 DC H2'' 1 1 9 4244 2 2 3 DC H3' H 1.018 7.453 1.355 1.00 . B B . 22 DC H3' 1 1 9 4245 2 2 3 DC H4' H -0.407 9.931 1.687 1.00 . B B . 22 DC H4' 1 1 9 4246 2 2 3 DC H41 H -0.192 6.819 -5.851 1.00 . B B . 22 DC H41 1 1 9 4247 2 2 3 DC H42 H 0.459 5.272 -5.270 1.00 . B B . 22 DC H42 1 1 9 4248 2 2 3 DC H5 H 0.510 4.691 -2.966 1.00 . B B . 22 DC H5 1 1 9 4249 2 2 3 DC H5' H 0.441 10.324 -0.663 1.00 . B B . 22 DC H5' 1 1 9 4250 2 2 3 DC H5'' H 1.620 10.116 0.638 1.00 . B B . 22 DC H5'' 1 1 9 4251 2 2 3 DC H6 H -0.093 5.410 -0.763 1.00 . B B . 22 DC H6 1 1 9 4252 2 2 3 DC N1 N -1.026 7.201 -1.365 1.00 . B B . 22 DC N1 1 1 9 4253 2 2 3 DC N3 N -0.985 7.613 -3.743 1.00 . B B . 22 DC N3 1 1 9 4254 2 2 3 DC N4 N -0.017 6.157 -5.114 1.00 . B B . 22 DC N4 1 1 9 4255 2 2 3 DC O2 O -2.096 8.971 -2.423 1.00 . B B . 22 DC O2 1 1 9 4256 2 2 3 DC O3' O 0.280 8.006 3.152 1.00 . B B . 22 DC O3' 1 1 9 4257 2 2 3 DC O4' O -1.466 8.900 0.293 1.00 . B B . 22 DC O4' 1 1 9 4258 2 2 3 DC O5' O 1.519 8.572 -0.713 1.00 . B B . 22 DC O5' 1 1 9 4259 2 2 3 DC OP1 O 2.806 10.203 -2.078 1.00 . B B . 22 DC OP1 1 1 9 4260 2 2 3 DC OP2 O 3.990 8.604 -0.532 1.00 . B B . 22 DC OP2 1 1 9 4261 2 2 3 DC P P 2.887 8.851 -1.483 1.00 . B B . 22 DC P 1 1 9 4262 2 2 4 DG C1' C -0.525 3.642 4.714 1.00 . B B . 23 DG C1' 1 1 9 4263 2 2 4 DG C2 C 2.921 6.501 4.549 1.00 . B B . 23 DG C2 1 1 9 4264 2 2 4 DG C2' C -1.612 3.152 5.697 1.00 . B B . 23 DG C2' 1 1 9 4265 2 2 4 DG C3' C -2.513 4.372 5.914 1.00 . B B . 23 DG C3' 1 1 9 4266 2 2 4 DG C4 C 1.816 4.675 5.265 1.00 . B B . 23 DG C4 1 1 9 4267 2 2 4 DG C4' C -2.293 5.164 4.621 1.00 . B B . 23 DG C4' 1 1 9 4268 2 2 4 DG C5 C 2.827 4.309 6.133 1.00 . B B . 23 DG C5 1 1 9 4269 2 2 4 DG C5' C -2.491 6.687 4.729 1.00 . B B . 23 DG C5' 1 1 9 4270 2 2 4 DG C6 C 4.011 5.135 6.189 1.00 . B B . 23 DG C6 1 1 9 4271 2 2 4 DG C8 C 1.355 2.793 6.245 1.00 . B B . 23 DG C8 1 1 9 4272 2 2 4 DG H1 H 4.735 6.873 5.392 1.00 . B B . 23 DG H1 1 1 9 4273 2 2 4 DG H1' H -0.478 2.957 3.867 1.00 . B B . 23 DG H1' 1 1 9 4274 2 2 4 DG H2' H -1.201 2.848 6.656 1.00 . B B . 23 DG H2' 1 1 9 4275 2 2 4 DG H2'' H -2.136 2.287 5.277 1.00 . B B . 23 DG H2'' 1 1 9 4276 2 2 4 DG H21 H 3.794 8.203 3.876 1.00 . B B . 23 DG H21 1 1 9 4277 2 2 4 DG H22 H 2.132 7.824 3.360 1.00 . B B . 23 DG H22 1 1 9 4278 2 2 4 DG H3' H -2.127 4.949 6.745 1.00 . B B . 23 DG H3' 1 1 9 4279 2 2 4 DG H4' H -3.000 4.773 3.889 1.00 . B B . 23 DG H4' 1 1 9 4280 2 2 4 DG H5' H -2.811 7.057 3.762 1.00 . B B . 23 DG H5' 1 1 9 4281 2 2 4 DG H5'' H -3.297 6.907 5.420 1.00 . B B . 23 DG H5'' 1 1 9 4282 2 2 4 DG H8 H 0.849 1.870 6.476 1.00 . B B . 23 DG H8 1 1 9 4283 2 2 4 DG N1 N 3.967 6.225 5.354 1.00 . B B . 23 DG N1 1 1 9 4284 2 2 4 DG N2 N 2.994 7.595 3.842 1.00 . B B . 23 DG N2 1 1 9 4285 2 2 4 DG N3 N 1.826 5.763 4.441 1.00 . B B . 23 DG N3 1 1 9 4286 2 2 4 DG N7 N 2.505 3.105 6.773 1.00 . B B . 23 DG N7 1 1 9 4287 2 2 4 DG N9 N 0.819 3.717 5.384 1.00 . B B . 23 DG N9 1 1 9 4288 2 2 4 DG O3' O -3.862 3.963 6.160 1.00 . B B . 23 DG O3' 1 1 9 4289 2 2 4 DG O4' O -0.980 4.872 4.181 1.00 . B B . 23 DG O4' 1 1 9 4290 2 2 4 DG O5' O -1.351 7.414 5.161 1.00 . B B . 23 DG O5' 1 1 9 4291 2 2 4 DG O6 O 5.050 5.004 6.846 1.00 . B B . 23 DG O6 1 1 9 4292 2 2 4 DG OP1 O -1.856 9.281 3.610 1.00 . B B . 23 DG OP1 1 1 9 4293 2 2 4 DG OP2 O 0.066 9.426 5.185 1.00 . B B . 23 DG OP2 1 1 9 4294 2 2 4 DG P P -0.731 8.591 4.264 1.00 . B B . 23 DG P 1 1 9 4295 2 2 5 DC C1' C -5.979 6.942 1.345 1.00 . B B . 24 DC C1' 1 1 9 4296 2 2 5 DC C2 C -4.770 9.171 1.424 1.00 . B B . 24 DC C2 1 1 9 4297 2 2 5 DC C2' C -5.060 5.888 1.923 1.00 . B B . 24 DC C2' 1 1 9 4298 2 2 5 DC C3' C -6.150 5.029 2.587 1.00 . B B . 24 DC C3' 1 1 9 4299 2 2 5 DC C4 C -4.411 10.381 -0.507 1.00 . B B . 24 DC C4 1 1 9 4300 2 2 5 DC C4' C -6.986 6.127 3.268 1.00 . B B . 24 DC C4' 1 1 9 4301 2 2 5 DC C5 C -5.176 9.466 -1.277 1.00 . B B . 24 DC C5 1 1 9 4302 2 2 5 DC C5' C -6.604 6.324 4.763 1.00 . B B . 24 DC C5' 1 1 9 4303 2 2 5 DC C6 C -5.679 8.383 -0.644 1.00 . B B . 24 DC C6 1 1 9 4304 2 2 5 DC H1' H -6.487 6.345 0.586 1.00 . B B . 24 DC H1' 1 1 9 4305 2 2 5 DC H2' H -4.392 6.322 2.659 1.00 . B B . 24 DC H2' 1 1 9 4306 2 2 5 DC H2'' H -4.523 5.345 1.154 1.00 . B B . 24 DC H2'' 1 1 9 4307 2 2 5 DC H3' H -5.733 4.346 3.326 1.00 . B B . 24 DC H3' 1 1 9 4308 2 2 5 DC H4' H -8.041 5.876 3.231 1.00 . B B . 24 DC H4' 1 1 9 4309 2 2 5 DC H41 H -3.288 12.005 -0.480 1.00 . B B . 24 DC H41 1 1 9 4310 2 2 5 DC H42 H -3.865 11.498 -2.066 1.00 . B B . 24 DC H42 1 1 9 4311 2 2 5 DC H5 H -5.356 9.617 -2.330 1.00 . B B . 24 DC H5 1 1 9 4312 2 2 5 DC H5' H -6.583 7.390 4.993 1.00 . B B . 24 DC H5' 1 1 9 4313 2 2 5 DC H5'' H -7.392 5.869 5.363 1.00 . B B . 24 DC H5'' 1 1 9 4314 2 2 5 DC H6 H -6.293 7.683 -1.197 1.00 . B B . 24 DC H6 1 1 9 4315 2 2 5 DC N1 N -5.420 8.163 0.689 1.00 . B B . 24 DC N1 1 1 9 4316 2 2 5 DC N3 N -4.268 10.263 0.799 1.00 . B B . 24 DC N3 1 1 9 4317 2 2 5 DC N4 N -3.880 11.433 -1.058 1.00 . B B . 24 DC N4 1 1 9 4318 2 2 5 DC O2 O -4.653 9.145 2.650 1.00 . B B . 24 DC O2 1 1 9 4319 2 2 5 DC O3' O -6.878 4.273 1.616 1.00 . B B . 24 DC O3' 1 1 9 4320 2 2 5 DC O4' O -6.814 7.282 2.448 1.00 . B B . 24 DC O4' 1 1 9 4321 2 2 5 DC O5' O -5.348 5.729 5.109 1.00 . B B . 24 DC O5' 1 1 9 4322 2 2 5 DC OP1 O -4.512 5.999 7.467 1.00 . B B . 24 DC OP1 1 1 9 4323 2 2 5 DC OP2 O -6.206 4.188 6.918 1.00 . B B . 24 DC OP2 1 1 9 4324 2 2 5 DC P P -5.042 5.001 6.506 1.00 . B B . 24 DC P 1 1 9 4325 2 2 6 DC C1' C -10.650 7.822 0.029 1.00 . B B . 25 DC C1' 1 1 9 4326 2 2 6 DC C2 C -10.668 9.069 2.257 1.00 . B B . 25 DC C2 1 1 9 4327 2 2 6 DC C2' C -9.229 7.627 -0.489 1.00 . B B . 25 DC C2' 1 1 9 4328 2 2 6 DC C3' C -9.191 6.153 -0.895 1.00 . B B . 25 DC C3' 1 1 9 4329 2 2 6 DC C4 C -10.829 11.357 2.276 1.00 . B B . 25 DC C4 1 1 9 4330 2 2 6 DC C4' C -10.445 5.578 -0.205 1.00 . B B . 25 DC C4' 1 1 9 4331 2 2 6 DC C5 C -10.752 11.438 0.864 1.00 . B B . 25 DC C5 1 1 9 4332 2 2 6 DC C5' C -10.213 4.260 0.544 1.00 . B B . 25 DC C5' 1 1 9 4333 2 2 6 DC C6 C -10.696 10.269 0.180 1.00 . B B . 25 DC C6 1 1 9 4334 2 2 6 DC H1' H -11.328 7.933 -0.825 1.00 . B B . 25 DC H1' 1 1 9 4335 2 2 6 DC H2' H -8.518 7.821 0.312 1.00 . B B . 25 DC H2' 1 1 9 4336 2 2 6 DC H2'' H -9.028 8.295 -1.326 1.00 . B B . 25 DC H2'' 1 1 9 4337 2 2 6 DC H3' H -8.287 5.668 -0.516 1.00 . B B . 25 DC H3' 1 1 9 4338 2 2 6 DC H4' H -11.192 5.392 -0.981 1.00 . B B . 25 DC H4' 1 1 9 4339 2 2 6 DC H41 H -11.086 12.342 3.969 1.00 . B B . 25 DC H41 1 1 9 4340 2 2 6 DC H42 H -11.045 13.317 2.515 1.00 . B B . 25 DC H42 1 1 9 4341 2 2 6 DC H5 H -10.751 12.376 0.331 1.00 . B B . 25 DC H5 1 1 9 4342 2 2 6 DC H5' H -11.177 3.853 0.851 1.00 . B B . 25 DC H5' 1 1 9 4343 2 2 6 DC H5'' H -9.778 3.560 -0.169 1.00 . B B . 25 DC H5'' 1 1 9 4344 2 2 6 DC H6 H -10.637 10.271 -0.905 1.00 . B B . 25 DC H6 1 1 9 4345 2 2 6 DC HO3' H -8.795 6.768 -2.754 1.00 . B B . 25 DC HO3' 1 1 9 4346 2 2 6 DC N1 N -10.712 9.068 0.847 1.00 . B B . 25 DC N1 1 1 9 4347 2 2 6 DC N3 N -10.731 10.236 2.948 1.00 . B B . 25 DC N3 1 1 9 4348 2 2 6 DC N4 N -10.878 12.448 2.986 1.00 . B B . 25 DC N4 1 1 9 4349 2 2 6 DC O2 O -10.515 8.045 2.932 1.00 . B B . 25 DC O2 1 1 9 4350 2 2 6 DC O3' O -9.280 6.038 -2.310 1.00 . B B . 25 DC O3' 1 1 9 4351 2 2 6 DC O4' O -10.944 6.588 0.660 1.00 . B B . 25 DC O4' 1 1 9 4352 2 2 6 DC O5' O -9.381 4.413 1.693 1.00 . B B . 25 DC O5' 1 1 9 4353 2 2 6 DC OP1 O -8.160 3.188 3.481 1.00 . B B . 25 DC OP1 1 1 9 4354 2 2 6 DC OP2 O -8.260 2.237 1.114 1.00 . B B . 25 DC OP2 1 1 9 4355 2 2 6 DC P P -8.167 3.406 2.015 1.00 . B B . 25 DC P 1 1 9 4356 3 3 1 ZN ZN ZN 0.285 -3.741 -0.011 1.00 . C A . 26 ZN ZN 1 1 10 4357 1 1 1 LYS C C -4.689 -10.538 4.421 1.00 . A A . 1 LYS C 1 1 10 4358 1 1 1 LYS CA C -5.925 -10.825 5.280 1.00 . A A . 1 LYS CA 1 1 10 4359 1 1 1 LYS CB C -6.753 -12.035 4.811 1.00 . A A . 1 LYS CB 1 1 10 4360 1 1 1 LYS CD C -8.180 -13.162 3.061 1.00 . A A . 1 LYS CD 1 1 10 4361 1 1 1 LYS CE C -8.697 -13.155 1.616 1.00 . A A . 1 LYS CE 1 1 10 4362 1 1 1 LYS CG C -7.444 -11.866 3.447 1.00 . A A . 1 LYS CG 1 1 10 4363 1 1 1 LYS H1 H -6.218 -8.842 5.770 1.00 . A A . 1 LYS H1 1 1 10 4364 1 1 1 LYS H2 H -7.508 -9.796 6.108 1.00 . A A . 1 LYS H2 1 1 10 4365 1 1 1 LYS H3 H -7.182 -9.352 4.550 1.00 . A A . 1 LYS H3 1 1 10 4366 1 1 1 LYS HA H -5.555 -11.076 6.271 1.00 . A A . 1 LYS HA 1 1 10 4367 1 1 1 LYS HB2 H -6.098 -12.902 4.770 1.00 . A A . 1 LYS HB2 1 1 10 4368 1 1 1 LYS HB3 H -7.518 -12.242 5.560 1.00 . A A . 1 LYS HB3 1 1 10 4369 1 1 1 LYS HD2 H -7.507 -14.012 3.181 1.00 . A A . 1 LYS HD2 1 1 10 4370 1 1 1 LYS HD3 H -9.026 -13.300 3.732 1.00 . A A . 1 LYS HD3 1 1 10 4371 1 1 1 LYS HE2 H -9.232 -14.095 1.450 1.00 . A A . 1 LYS HE2 1 1 10 4372 1 1 1 LYS HE3 H -9.406 -12.335 1.481 1.00 . A A . 1 LYS HE3 1 1 10 4373 1 1 1 LYS HG2 H -8.161 -11.046 3.488 1.00 . A A . 1 LYS HG2 1 1 10 4374 1 1 1 LYS HG3 H -6.694 -11.635 2.694 1.00 . A A . 1 LYS HG3 1 1 10 4375 1 1 1 LYS HZ1 H -7.251 -12.088 0.603 1.00 . A A . 1 LYS HZ1 1 1 10 4376 1 1 1 LYS HZ2 H -7.875 -13.316 -0.291 1.00 . A A . 1 LYS HZ2 1 1 10 4377 1 1 1 LYS HZ3 H -6.796 -13.617 0.930 1.00 . A A . 1 LYS HZ3 1 1 10 4378 1 1 1 LYS N N -6.769 -9.623 5.435 1.00 . A A . 1 LYS N 1 1 10 4379 1 1 1 LYS NZ N -7.584 -13.043 0.642 1.00 . A A . 1 LYS NZ 1 1 10 4380 1 1 1 LYS O O -4.809 -10.017 3.315 1.00 . A A . 1 LYS O 1 1 10 4381 1 1 2 GLY C C -1.926 -8.992 4.322 1.00 . A A . 2 GLY C 1 1 10 4382 1 1 2 GLY CA C -2.222 -10.498 4.260 1.00 . A A . 2 GLY CA 1 1 10 4383 1 1 2 GLY H H -3.440 -11.216 5.866 1.00 . A A . 2 GLY H 1 1 10 4384 1 1 2 GLY HA2 H -1.407 -11.032 4.736 1.00 . A A . 2 GLY HA2 1 1 10 4385 1 1 2 GLY HA3 H -2.249 -10.840 3.223 1.00 . A A . 2 GLY HA3 1 1 10 4386 1 1 2 GLY N N -3.488 -10.833 4.924 1.00 . A A . 2 GLY N 1 1 10 4387 1 1 2 GLY O O -1.846 -8.400 5.406 1.00 . A A . 2 GLY O 1 1 10 4388 1 1 3 CYS C C -3.089 -6.287 3.319 1.00 . A A . 3 CYS C 1 1 10 4389 1 1 3 CYS CA C -1.737 -6.934 2.964 1.00 . A A . 3 CYS CA 1 1 10 4390 1 1 3 CYS CB C -1.352 -6.600 1.512 1.00 . A A . 3 CYS CB 1 1 10 4391 1 1 3 CYS H H -1.724 -8.954 2.321 1.00 . A A . 3 CYS H 1 1 10 4392 1 1 3 CYS HA H -0.963 -6.530 3.617 1.00 . A A . 3 CYS HA 1 1 10 4393 1 1 3 CYS HB2 H -0.658 -7.351 1.139 1.00 . A A . 3 CYS HB2 1 1 10 4394 1 1 3 CYS HB3 H -2.252 -6.676 0.916 1.00 . A A . 3 CYS HB3 1 1 10 4395 1 1 3 CYS N N -1.773 -8.377 3.148 1.00 . A A . 3 CYS N 1 1 10 4396 1 1 3 CYS O O -4.118 -6.921 3.577 1.00 . A A . 3 CYS O 1 1 10 4397 1 1 3 CYS SG S -0.673 -4.909 1.344 1.00 . A A . 3 CYS SG 1 1 10 4398 1 1 4 TRP C C -4.849 -3.658 2.199 1.00 . A A . 4 TRP C 1 1 10 4399 1 1 4 TRP CA C -4.121 -4.028 3.500 1.00 . A A . 4 TRP CA 1 1 10 4400 1 1 4 TRP CB C -3.424 -2.841 4.161 1.00 . A A . 4 TRP CB 1 1 10 4401 1 1 4 TRP CD1 C -5.280 -1.121 4.351 1.00 . A A . 4 TRP CD1 1 1 10 4402 1 1 4 TRP CD2 C -3.374 -0.357 3.456 1.00 . A A . 4 TRP CD2 1 1 10 4403 1 1 4 TRP CE2 C -4.286 0.728 3.448 1.00 . A A . 4 TRP CE2 1 1 10 4404 1 1 4 TRP CE3 C -2.068 -0.133 2.988 1.00 . A A . 4 TRP CE3 1 1 10 4405 1 1 4 TRP CG C -4.037 -1.511 4.008 1.00 . A A . 4 TRP CG 1 1 10 4406 1 1 4 TRP CH2 C -2.634 2.168 2.420 1.00 . A A . 4 TRP CH2 1 1 10 4407 1 1 4 TRP CZ2 C -3.920 1.977 2.944 1.00 . A A . 4 TRP CZ2 1 1 10 4408 1 1 4 TRP CZ3 C -1.715 1.105 2.453 1.00 . A A . 4 TRP CZ3 1 1 10 4409 1 1 4 TRP H H -2.156 -4.606 2.954 1.00 . A A . 4 TRP H 1 1 10 4410 1 1 4 TRP HA H -4.856 -4.445 4.184 1.00 . A A . 4 TRP HA 1 1 10 4411 1 1 4 TRP HB2 H -3.277 -3.006 5.213 1.00 . A A . 4 TRP HB2 1 1 10 4412 1 1 4 TRP HB3 H -2.421 -2.760 3.746 1.00 . A A . 4 TRP HB3 1 1 10 4413 1 1 4 TRP HD1 H -6.038 -1.749 4.808 1.00 . A A . 4 TRP HD1 1 1 10 4414 1 1 4 TRP HE1 H -6.260 0.740 4.264 1.00 . A A . 4 TRP HE1 1 1 10 4415 1 1 4 TRP HE3 H -1.338 -0.917 3.033 1.00 . A A . 4 TRP HE3 1 1 10 4416 1 1 4 TRP HH2 H -2.341 3.133 2.030 1.00 . A A . 4 TRP HH2 1 1 10 4417 1 1 4 TRP HZ2 H -4.625 2.777 2.978 1.00 . A A . 4 TRP HZ2 1 1 10 4418 1 1 4 TRP HZ3 H -0.720 1.220 2.096 1.00 . A A . 4 TRP HZ3 1 1 10 4419 1 1 4 TRP N N -3.052 -4.972 3.253 1.00 . A A . 4 TRP N 1 1 10 4420 1 1 4 TRP NE1 N -5.424 0.214 4.033 1.00 . A A . 4 TRP NE1 1 1 10 4421 1 1 4 TRP O O -6.050 -3.902 2.057 1.00 . A A . 4 TRP O 1 1 10 4422 1 1 5 LYS C C -4.451 -3.781 -1.191 1.00 . A A . 5 LYS C 1 1 10 4423 1 1 5 LYS CA C -4.638 -2.728 -0.098 1.00 . A A . 5 LYS CA 1 1 10 4424 1 1 5 LYS CB C -4.059 -1.353 -0.487 1.00 . A A . 5 LYS CB 1 1 10 4425 1 1 5 LYS CD C -2.421 -1.527 -2.479 1.00 . A A . 5 LYS CD 1 1 10 4426 1 1 5 LYS CE C -2.866 -0.247 -3.196 1.00 . A A . 5 LYS CE 1 1 10 4427 1 1 5 LYS CG C -2.598 -1.375 -0.957 1.00 . A A . 5 LYS CG 1 1 10 4428 1 1 5 LYS H H -3.144 -2.921 1.428 1.00 . A A . 5 LYS H 1 1 10 4429 1 1 5 LYS HA H -5.716 -2.582 -0.001 1.00 . A A . 5 LYS HA 1 1 10 4430 1 1 5 LYS HB2 H -4.666 -0.926 -1.278 1.00 . A A . 5 LYS HB2 1 1 10 4431 1 1 5 LYS HB3 H -4.137 -0.688 0.378 1.00 . A A . 5 LYS HB3 1 1 10 4432 1 1 5 LYS HD2 H -1.369 -1.712 -2.674 1.00 . A A . 5 LYS HD2 1 1 10 4433 1 1 5 LYS HD3 H -2.988 -2.372 -2.865 1.00 . A A . 5 LYS HD3 1 1 10 4434 1 1 5 LYS HE2 H -3.959 -0.186 -3.194 1.00 . A A . 5 LYS HE2 1 1 10 4435 1 1 5 LYS HE3 H -2.505 0.612 -2.628 1.00 . A A . 5 LYS HE3 1 1 10 4436 1 1 5 LYS HG2 H -2.116 -0.446 -0.644 1.00 . A A . 5 LYS HG2 1 1 10 4437 1 1 5 LYS HG3 H -2.086 -2.195 -0.455 1.00 . A A . 5 LYS HG3 1 1 10 4438 1 1 5 LYS HZ1 H -2.542 0.764 -4.959 1.00 . A A . 5 LYS HZ1 1 1 10 4439 1 1 5 LYS HZ2 H -2.816 -0.816 -5.207 1.00 . A A . 5 LYS HZ2 1 1 10 4440 1 1 5 LYS HZ3 H -1.357 -0.364 -4.639 1.00 . A A . 5 LYS HZ3 1 1 10 4441 1 1 5 LYS N N -4.105 -3.133 1.213 1.00 . A A . 5 LYS N 1 1 10 4442 1 1 5 LYS NZ N -2.354 -0.158 -4.583 1.00 . A A . 5 LYS NZ 1 1 10 4443 1 1 5 LYS O O -5.273 -3.847 -2.103 1.00 . A A . 5 LYS O 1 1 10 4444 1 1 6 CYS C C -3.918 -6.778 -2.135 1.00 . A A . 6 CYS C 1 1 10 4445 1 1 6 CYS CA C -3.000 -5.535 -2.160 1.00 . A A . 6 CYS CA 1 1 10 4446 1 1 6 CYS CB C -1.512 -5.915 -2.000 1.00 . A A . 6 CYS CB 1 1 10 4447 1 1 6 CYS H H -2.732 -4.444 -0.356 1.00 . A A . 6 CYS H 1 1 10 4448 1 1 6 CYS HA H -3.121 -5.042 -3.123 1.00 . A A . 6 CYS HA 1 1 10 4449 1 1 6 CYS HB2 H -1.399 -6.610 -1.166 1.00 . A A . 6 CYS HB2 1 1 10 4450 1 1 6 CYS HB3 H -1.213 -6.447 -2.904 1.00 . A A . 6 CYS HB3 1 1 10 4451 1 1 6 CYS N N -3.383 -4.587 -1.111 1.00 . A A . 6 CYS N 1 1 10 4452 1 1 6 CYS O O -4.559 -7.131 -3.123 1.00 . A A . 6 CYS O 1 1 10 4453 1 1 6 CYS SG S -0.402 -4.495 -1.752 1.00 . A A . 6 CYS SG 1 1 10 4454 1 1 7 GLY C C -4.147 -9.907 -0.679 1.00 . A A . 7 GLY C 1 1 10 4455 1 1 7 GLY CA C -4.842 -8.549 -0.623 1.00 . A A . 7 GLY CA 1 1 10 4456 1 1 7 GLY H H -3.478 -6.981 -0.218 1.00 . A A . 7 GLY H 1 1 10 4457 1 1 7 GLY HA2 H -5.159 -8.406 0.410 1.00 . A A . 7 GLY HA2 1 1 10 4458 1 1 7 GLY HA3 H -5.699 -8.577 -1.291 1.00 . A A . 7 GLY HA3 1 1 10 4459 1 1 7 GLY N N -4.002 -7.400 -0.958 1.00 . A A . 7 GLY N 1 1 10 4460 1 1 7 GLY O O -4.733 -10.897 -1.116 1.00 . A A . 7 GLY O 1 1 10 4461 1 1 8 LYS C C -0.937 -11.068 0.674 1.00 . A A . 8 LYS C 1 1 10 4462 1 1 8 LYS CA C -1.937 -11.068 -0.481 1.00 . A A . 8 LYS CA 1 1 10 4463 1 1 8 LYS CB C -1.155 -10.913 -1.801 1.00 . A A . 8 LYS CB 1 1 10 4464 1 1 8 LYS CD C -1.078 -10.129 -4.257 1.00 . A A . 8 LYS CD 1 1 10 4465 1 1 8 LYS CE C -0.314 -8.797 -4.291 1.00 . A A . 8 LYS CE 1 1 10 4466 1 1 8 LYS CG C -1.942 -10.361 -3.011 1.00 . A A . 8 LYS CG 1 1 10 4467 1 1 8 LYS H H -2.473 -9.084 0.070 1.00 . A A . 8 LYS H 1 1 10 4468 1 1 8 LYS HA H -2.494 -12.008 -0.483 1.00 . A A . 8 LYS HA 1 1 10 4469 1 1 8 LYS HB2 H -0.325 -10.248 -1.587 1.00 . A A . 8 LYS HB2 1 1 10 4470 1 1 8 LYS HB3 H -0.731 -11.885 -2.067 1.00 . A A . 8 LYS HB3 1 1 10 4471 1 1 8 LYS HD2 H -0.385 -10.959 -4.381 1.00 . A A . 8 LYS HD2 1 1 10 4472 1 1 8 LYS HD3 H -1.755 -10.121 -5.110 1.00 . A A . 8 LYS HD3 1 1 10 4473 1 1 8 LYS HE2 H 0.252 -8.766 -5.221 1.00 . A A . 8 LYS HE2 1 1 10 4474 1 1 8 LYS HE3 H -1.028 -7.969 -4.311 1.00 . A A . 8 LYS HE3 1 1 10 4475 1 1 8 LYS HG2 H -2.722 -11.083 -3.254 1.00 . A A . 8 LYS HG2 1 1 10 4476 1 1 8 LYS HG3 H -2.416 -9.410 -2.766 1.00 . A A . 8 LYS HG3 1 1 10 4477 1 1 8 LYS HZ1 H 1.281 -7.870 -3.342 1.00 . A A . 8 LYS HZ1 1 1 10 4478 1 1 8 LYS HZ2 H 1.205 -9.470 -3.055 1.00 . A A . 8 LYS HZ2 1 1 10 4479 1 1 8 LYS HZ3 H 0.171 -8.447 -2.292 1.00 . A A . 8 LYS HZ3 1 1 10 4480 1 1 8 LYS N N -2.863 -9.934 -0.312 1.00 . A A . 8 LYS N 1 1 10 4481 1 1 8 LYS NZ N 0.635 -8.636 -3.175 1.00 . A A . 8 LYS NZ 1 1 10 4482 1 1 8 LYS O O -0.639 -9.999 1.200 1.00 . A A . 8 LYS O 1 1 10 4483 1 1 9 GLU C C 2.094 -11.763 1.626 1.00 . A A . 9 GLU C 1 1 10 4484 1 1 9 GLU CA C 0.701 -12.275 2.076 1.00 . A A . 9 GLU CA 1 1 10 4485 1 1 9 GLU CB C 0.767 -13.695 2.641 1.00 . A A . 9 GLU CB 1 1 10 4486 1 1 9 GLU CD C -0.260 -15.369 4.239 1.00 . A A . 9 GLU CD 1 1 10 4487 1 1 9 GLU CG C -0.498 -14.111 3.396 1.00 . A A . 9 GLU CG 1 1 10 4488 1 1 9 GLU H H -0.619 -13.058 0.575 1.00 . A A . 9 GLU H 1 1 10 4489 1 1 9 GLU HA H 0.403 -11.622 2.897 1.00 . A A . 9 GLU HA 1 1 10 4490 1 1 9 GLU HB2 H 0.940 -14.389 1.824 1.00 . A A . 9 GLU HB2 1 1 10 4491 1 1 9 GLU HB3 H 1.596 -13.746 3.345 1.00 . A A . 9 GLU HB3 1 1 10 4492 1 1 9 GLU HG2 H -0.785 -13.285 4.045 1.00 . A A . 9 GLU HG2 1 1 10 4493 1 1 9 GLU HG3 H -1.305 -14.289 2.681 1.00 . A A . 9 GLU HG3 1 1 10 4494 1 1 9 GLU N N -0.335 -12.200 1.026 1.00 . A A . 9 GLU N 1 1 10 4495 1 1 9 GLU O O 3.109 -12.461 1.729 1.00 . A A . 9 GLU O 1 1 10 4496 1 1 9 GLU OE1 O 0.438 -16.302 3.764 1.00 . A A . 9 GLU OE1 1 1 10 4497 1 1 9 GLU OE2 O -0.764 -15.440 5.388 1.00 . A A . 9 GLU OE2 1 1 10 4498 1 1 10 GLY C C 4.024 -9.062 1.730 1.00 . A A . 10 GLY C 1 1 10 4499 1 1 10 GLY CA C 3.396 -9.913 0.626 1.00 . A A . 10 GLY CA 1 1 10 4500 1 1 10 GLY H H 1.291 -10.027 0.980 1.00 . A A . 10 GLY H 1 1 10 4501 1 1 10 GLY HA2 H 4.120 -10.659 0.302 1.00 . A A . 10 GLY HA2 1 1 10 4502 1 1 10 GLY HA3 H 3.185 -9.266 -0.223 1.00 . A A . 10 GLY HA3 1 1 10 4503 1 1 10 GLY N N 2.153 -10.563 1.048 1.00 . A A . 10 GLY N 1 1 10 4504 1 1 10 GLY O O 5.237 -9.092 1.913 1.00 . A A . 10 GLY O 1 1 10 4505 1 1 11 HIS C C 2.470 -6.866 4.355 1.00 . A A . 11 HIS C 1 1 10 4506 1 1 11 HIS CA C 3.660 -7.382 3.520 1.00 . A A . 11 HIS CA 1 1 10 4507 1 1 11 HIS CB C 4.425 -6.214 2.854 1.00 . A A . 11 HIS CB 1 1 10 4508 1 1 11 HIS CD2 C 2.510 -5.009 1.637 1.00 . A A . 11 HIS CD2 1 1 10 4509 1 1 11 HIS CE1 C 3.338 -4.913 -0.379 1.00 . A A . 11 HIS CE1 1 1 10 4510 1 1 11 HIS CG C 3.732 -5.613 1.660 1.00 . A A . 11 HIS CG 1 1 10 4511 1 1 11 HIS H H 2.210 -8.377 2.338 1.00 . A A . 11 HIS H 1 1 10 4512 1 1 11 HIS HA H 4.335 -7.904 4.200 1.00 . A A . 11 HIS HA 1 1 10 4513 1 1 11 HIS HB2 H 4.599 -5.433 3.580 1.00 . A A . 11 HIS HB2 1 1 10 4514 1 1 11 HIS HB3 H 5.406 -6.571 2.542 1.00 . A A . 11 HIS HB3 1 1 10 4515 1 1 11 HIS HD1 H 5.227 -5.692 0.149 1.00 . A A . 11 HIS HD1 1 1 10 4516 1 1 11 HIS HD2 H 1.937 -4.730 2.512 1.00 . A A . 11 HIS HD2 1 1 10 4517 1 1 11 HIS HE1 H 3.515 -4.617 -1.401 1.00 . A A . 11 HIS HE1 1 1 10 4518 1 1 11 HIS N N 3.212 -8.310 2.477 1.00 . A A . 11 HIS N 1 1 10 4519 1 1 11 HIS ND1 N 4.246 -5.525 0.394 1.00 . A A . 11 HIS ND1 1 1 10 4520 1 1 11 HIS NE2 N 2.208 -4.647 0.312 1.00 . A A . 11 HIS NE2 1 1 10 4521 1 1 11 HIS O O 1.353 -7.374 4.241 1.00 . A A . 11 HIS O 1 1 10 4522 1 1 12 GLN C C 1.864 -3.545 5.491 1.00 . A A . 12 GLN C 1 1 10 4523 1 1 12 GLN CA C 1.760 -5.014 5.905 1.00 . A A . 12 GLN CA 1 1 10 4524 1 1 12 GLN CB C 2.027 -5.231 7.404 1.00 . A A . 12 GLN CB 1 1 10 4525 1 1 12 GLN CD C 1.030 -5.072 9.735 1.00 . A A . 12 GLN CD 1 1 10 4526 1 1 12 GLN CG C 0.746 -5.200 8.247 1.00 . A A . 12 GLN CG 1 1 10 4527 1 1 12 GLN H H 3.693 -5.581 5.276 1.00 . A A . 12 GLN H 1 1 10 4528 1 1 12 GLN HA H 0.734 -5.264 5.662 1.00 . A A . 12 GLN HA 1 1 10 4529 1 1 12 GLN HB2 H 2.497 -6.203 7.566 1.00 . A A . 12 GLN HB2 1 1 10 4530 1 1 12 GLN HB3 H 2.730 -4.467 7.733 1.00 . A A . 12 GLN HB3 1 1 10 4531 1 1 12 GLN HE21 H 1.809 -6.943 9.930 1.00 . A A . 12 GLN HE21 1 1 10 4532 1 1 12 GLN HE22 H 1.612 -5.999 11.404 1.00 . A A . 12 GLN HE22 1 1 10 4533 1 1 12 GLN HG2 H 0.123 -4.358 7.953 1.00 . A A . 12 GLN HG2 1 1 10 4534 1 1 12 GLN HG3 H 0.185 -6.115 8.072 1.00 . A A . 12 GLN HG3 1 1 10 4535 1 1 12 GLN N N 2.718 -5.838 5.167 1.00 . A A . 12 GLN N 1 1 10 4536 1 1 12 GLN NE2 N 1.589 -6.065 10.390 1.00 . A A . 12 GLN NE2 1 1 10 4537 1 1 12 GLN O O 2.730 -3.159 4.708 1.00 . A A . 12 GLN O 1 1 10 4538 1 1 12 GLN OE1 O 0.742 -4.051 10.341 1.00 . A A . 12 GLN OE1 1 1 10 4539 1 1 13 MET C C 2.045 -0.493 5.597 1.00 . A A . 13 MET C 1 1 10 4540 1 1 13 MET CA C 0.764 -1.315 5.589 1.00 . A A . 13 MET CA 1 1 10 4541 1 1 13 MET CB C -0.261 -0.656 6.518 1.00 . A A . 13 MET CB 1 1 10 4542 1 1 13 MET CE C -2.710 0.003 8.747 1.00 . A A . 13 MET CE 1 1 10 4543 1 1 13 MET CG C -1.585 -1.412 6.623 1.00 . A A . 13 MET CG 1 1 10 4544 1 1 13 MET H H 0.287 -3.091 6.651 1.00 . A A . 13 MET H 1 1 10 4545 1 1 13 MET HA H 0.390 -1.271 4.569 1.00 . A A . 13 MET HA 1 1 10 4546 1 1 13 MET HB2 H 0.172 -0.571 7.513 1.00 . A A . 13 MET HB2 1 1 10 4547 1 1 13 MET HB3 H -0.474 0.331 6.125 1.00 . A A . 13 MET HB3 1 1 10 4548 1 1 13 MET HE1 H -3.515 0.336 8.091 1.00 . A A . 13 MET HE1 1 1 10 4549 1 1 13 MET HE2 H -3.060 0.022 9.779 1.00 . A A . 13 MET HE2 1 1 10 4550 1 1 13 MET HE3 H -1.864 0.682 8.646 1.00 . A A . 13 MET HE3 1 1 10 4551 1 1 13 MET HG2 H -2.329 -0.911 6.026 1.00 . A A . 13 MET HG2 1 1 10 4552 1 1 13 MET HG3 H -1.471 -2.365 6.140 1.00 . A A . 13 MET HG3 1 1 10 4553 1 1 13 MET N N 0.963 -2.708 6.008 1.00 . A A . 13 MET N 1 1 10 4554 1 1 13 MET O O 2.242 0.284 4.671 1.00 . A A . 13 MET O 1 1 10 4555 1 1 13 MET SD S -2.213 -1.686 8.304 1.00 . A A . 13 MET SD 1 1 10 4556 1 1 14 LYS C C 5.230 -0.339 5.689 1.00 . A A . 14 LYS C 1 1 10 4557 1 1 14 LYS CA C 4.196 -0.020 6.768 1.00 . A A . 14 LYS CA 1 1 10 4558 1 1 14 LYS CB C 4.741 -0.399 8.147 1.00 . A A . 14 LYS CB 1 1 10 4559 1 1 14 LYS CD C 4.212 -0.085 10.621 1.00 . A A . 14 LYS CD 1 1 10 4560 1 1 14 LYS CE C 2.805 -0.292 11.209 1.00 . A A . 14 LYS CE 1 1 10 4561 1 1 14 LYS CG C 4.223 0.565 9.228 1.00 . A A . 14 LYS CG 1 1 10 4562 1 1 14 LYS H H 2.662 -1.414 7.267 1.00 . A A . 14 LYS H 1 1 10 4563 1 1 14 LYS HA H 4.031 1.053 6.716 1.00 . A A . 14 LYS HA 1 1 10 4564 1 1 14 LYS HB2 H 4.448 -1.423 8.372 1.00 . A A . 14 LYS HB2 1 1 10 4565 1 1 14 LYS HB3 H 5.832 -0.379 8.128 1.00 . A A . 14 LYS HB3 1 1 10 4566 1 1 14 LYS HD2 H 4.732 -1.045 10.582 1.00 . A A . 14 LYS HD2 1 1 10 4567 1 1 14 LYS HD3 H 4.770 0.553 11.305 1.00 . A A . 14 LYS HD3 1 1 10 4568 1 1 14 LYS HE2 H 2.910 -0.814 12.162 1.00 . A A . 14 LYS HE2 1 1 10 4569 1 1 14 LYS HE3 H 2.352 0.682 11.406 1.00 . A A . 14 LYS HE3 1 1 10 4570 1 1 14 LYS HG2 H 4.871 1.444 9.247 1.00 . A A . 14 LYS HG2 1 1 10 4571 1 1 14 LYS HG3 H 3.222 0.908 8.974 1.00 . A A . 14 LYS HG3 1 1 10 4572 1 1 14 LYS HZ1 H 1.601 -0.506 9.551 1.00 . A A . 14 LYS HZ1 1 1 10 4573 1 1 14 LYS HZ2 H 1.058 -1.341 10.838 1.00 . A A . 14 LYS HZ2 1 1 10 4574 1 1 14 LYS HZ3 H 2.357 -1.941 10.041 1.00 . A A . 14 LYS HZ3 1 1 10 4575 1 1 14 LYS N N 2.908 -0.706 6.592 1.00 . A A . 14 LYS N 1 1 10 4576 1 1 14 LYS NZ N 1.905 -1.077 10.333 1.00 . A A . 14 LYS NZ 1 1 10 4577 1 1 14 LYS O O 6.170 0.428 5.510 1.00 . A A . 14 LYS O 1 1 10 4578 1 1 15 ASP C C 5.130 -1.570 2.509 1.00 . A A . 15 ASP C 1 1 10 4579 1 1 15 ASP CA C 5.868 -1.836 3.832 1.00 . A A . 15 ASP CA 1 1 10 4580 1 1 15 ASP CB C 6.202 -3.322 3.970 1.00 . A A . 15 ASP CB 1 1 10 4581 1 1 15 ASP CG C 7.550 -3.622 4.620 1.00 . A A . 15 ASP CG 1 1 10 4582 1 1 15 ASP H H 4.259 -2.048 5.226 1.00 . A A . 15 ASP H 1 1 10 4583 1 1 15 ASP HA H 6.794 -1.262 3.803 1.00 . A A . 15 ASP HA 1 1 10 4584 1 1 15 ASP HB2 H 5.411 -3.769 4.573 1.00 . A A . 15 ASP HB2 1 1 10 4585 1 1 15 ASP HB3 H 6.193 -3.788 2.987 1.00 . A A . 15 ASP HB3 1 1 10 4586 1 1 15 ASP N N 5.057 -1.456 4.993 1.00 . A A . 15 ASP N 1 1 10 4587 1 1 15 ASP O O 5.770 -1.335 1.483 1.00 . A A . 15 ASP O 1 1 10 4588 1 1 15 ASP OD1 O 8.585 -3.060 4.183 1.00 . A A . 15 ASP OD1 1 1 10 4589 1 1 15 ASP OD2 O 7.591 -4.495 5.520 1.00 . A A . 15 ASP OD2 1 1 10 4590 1 1 16 CYS C C 2.888 0.152 1.069 1.00 . A A . 16 CYS C 1 1 10 4591 1 1 16 CYS CA C 2.921 -1.350 1.410 1.00 . A A . 16 CYS CA 1 1 10 4592 1 1 16 CYS CB C 1.535 -1.923 1.720 1.00 . A A . 16 CYS CB 1 1 10 4593 1 1 16 CYS H H 3.353 -1.845 3.415 1.00 . A A . 16 CYS H 1 1 10 4594 1 1 16 CYS HA H 3.298 -1.925 0.575 1.00 . A A . 16 CYS HA 1 1 10 4595 1 1 16 CYS HB2 H 1.633 -2.861 2.217 1.00 . A A . 16 CYS HB2 1 1 10 4596 1 1 16 CYS HB3 H 1.031 -1.360 2.477 1.00 . A A . 16 CYS HB3 1 1 10 4597 1 1 16 CYS N N 3.793 -1.604 2.540 1.00 . A A . 16 CYS N 1 1 10 4598 1 1 16 CYS O O 3.507 0.609 0.113 1.00 . A A . 16 CYS O 1 1 10 4599 1 1 16 CYS SG S 0.571 -2.055 0.198 1.00 . A A . 16 CYS SG 1 1 10 4600 1 1 17 THR C C 0.937 2.690 0.558 1.00 . A A . 17 THR C 1 1 10 4601 1 1 17 THR CA C 1.769 2.316 1.792 1.00 . A A . 17 THR CA 1 1 10 4602 1 1 17 THR CB C 2.896 3.331 2.085 1.00 . A A . 17 THR CB 1 1 10 4603 1 1 17 THR CG2 C 3.970 2.806 3.028 1.00 . A A . 17 THR CG2 1 1 10 4604 1 1 17 THR H H 1.906 0.442 2.765 1.00 . A A . 17 THR H 1 1 10 4605 1 1 17 THR HA H 1.083 2.469 2.616 1.00 . A A . 17 THR HA 1 1 10 4606 1 1 17 THR HB H 2.440 4.207 2.543 1.00 . A A . 17 THR HB 1 1 10 4607 1 1 17 THR HG1 H 3.990 3.005 0.507 1.00 . A A . 17 THR HG1 1 1 10 4608 1 1 17 THR HG21 H 3.507 2.375 3.909 1.00 . A A . 17 THR HG21 1 1 10 4609 1 1 17 THR HG22 H 4.610 3.626 3.337 1.00 . A A . 17 THR HG22 1 1 10 4610 1 1 17 THR HG23 H 4.561 2.048 2.512 1.00 . A A . 17 THR HG23 1 1 10 4611 1 1 17 THR N N 2.178 0.906 1.909 1.00 . A A . 17 THR N 1 1 10 4612 1 1 17 THR O O 0.549 3.842 0.427 1.00 . A A . 17 THR O 1 1 10 4613 1 1 17 THR OG1 O 3.565 3.764 0.938 1.00 . A A . 17 THR OG1 1 1 10 4614 1 1 18 GLU C C -1.244 2.656 -1.956 1.00 . A A . 18 GLU C 1 1 10 4615 1 1 18 GLU CA C 0.202 2.126 -1.722 1.00 . A A . 18 GLU CA 1 1 10 4616 1 1 18 GLU CB C 0.450 0.950 -2.681 1.00 . A A . 18 GLU CB 1 1 10 4617 1 1 18 GLU CD C 2.912 1.304 -3.468 1.00 . A A . 18 GLU CD 1 1 10 4618 1 1 18 GLU CG C 1.869 0.405 -2.791 1.00 . A A . 18 GLU CG 1 1 10 4619 1 1 18 GLU H H 0.797 0.790 -0.146 1.00 . A A . 18 GLU H 1 1 10 4620 1 1 18 GLU HA H 0.893 2.925 -1.996 1.00 . A A . 18 GLU HA 1 1 10 4621 1 1 18 GLU HB2 H -0.180 0.130 -2.343 1.00 . A A . 18 GLU HB2 1 1 10 4622 1 1 18 GLU HB3 H 0.131 1.217 -3.684 1.00 . A A . 18 GLU HB3 1 1 10 4623 1 1 18 GLU HG2 H 2.192 0.104 -1.803 1.00 . A A . 18 GLU HG2 1 1 10 4624 1 1 18 GLU HG3 H 1.807 -0.496 -3.399 1.00 . A A . 18 GLU HG3 1 1 10 4625 1 1 18 GLU N N 0.576 1.763 -0.338 1.00 . A A . 18 GLU N 1 1 10 4626 1 1 18 GLU O O -1.674 2.745 -3.110 1.00 . A A . 18 GLU O 1 1 10 4627 1 1 18 GLU OE1 O 2.596 2.389 -4.012 1.00 . A A . 18 GLU OE1 1 1 10 4628 1 1 18 GLU OE2 O 4.059 0.820 -3.648 1.00 . A A . 18 GLU OE2 1 1 10 4629 1 1 19 ARG C C -4.421 2.299 -1.265 1.00 . A A . 19 ARG C 1 1 10 4630 1 1 19 ARG CA C -3.424 3.399 -0.872 1.00 . A A . 19 ARG CA 1 1 10 4631 1 1 19 ARG CB C -3.621 4.664 -1.721 1.00 . A A . 19 ARG CB 1 1 10 4632 1 1 19 ARG CD C -4.955 6.713 -2.289 1.00 . A A . 19 ARG CD 1 1 10 4633 1 1 19 ARG CG C -4.938 5.405 -1.486 1.00 . A A . 19 ARG CG 1 1 10 4634 1 1 19 ARG CZ C -6.494 8.056 -3.679 1.00 . A A . 19 ARG CZ 1 1 10 4635 1 1 19 ARG H H -1.526 2.902 -0.007 1.00 . A A . 19 ARG H 1 1 10 4636 1 1 19 ARG HA H -3.636 3.673 0.170 1.00 . A A . 19 ARG HA 1 1 10 4637 1 1 19 ARG HB2 H -2.821 5.335 -1.479 1.00 . A A . 19 ARG HB2 1 1 10 4638 1 1 19 ARG HB3 H -3.547 4.419 -2.780 1.00 . A A . 19 ARG HB3 1 1 10 4639 1 1 19 ARG HD2 H -4.641 7.526 -1.633 1.00 . A A . 19 ARG HD2 1 1 10 4640 1 1 19 ARG HD3 H -4.245 6.637 -3.113 1.00 . A A . 19 ARG HD3 1 1 10 4641 1 1 19 ARG HE H -7.046 6.420 -2.705 1.00 . A A . 19 ARG HE 1 1 10 4642 1 1 19 ARG HG2 H -5.772 4.768 -1.770 1.00 . A A . 19 ARG HG2 1 1 10 4643 1 1 19 ARG HG3 H -4.994 5.656 -0.429 1.00 . A A . 19 ARG HG3 1 1 10 4644 1 1 19 ARG HH11 H -4.699 8.947 -3.498 1.00 . A A . 19 ARG HH11 1 1 10 4645 1 1 19 ARG HH12 H -5.847 9.680 -4.628 1.00 . A A . 19 ARG HH12 1 1 10 4646 1 1 19 ARG HH21 H -8.395 7.534 -4.119 1.00 . A A . 19 ARG HH21 1 1 10 4647 1 1 19 ARG HH22 H -7.736 8.942 -4.944 1.00 . A A . 19 ARG HH22 1 1 10 4648 1 1 19 ARG N N -1.994 2.990 -0.895 1.00 . A A . 19 ARG N 1 1 10 4649 1 1 19 ARG NE N -6.266 7.050 -2.858 1.00 . A A . 19 ARG NE 1 1 10 4650 1 1 19 ARG NH1 N -5.593 8.955 -3.965 1.00 . A A . 19 ARG NH1 1 1 10 4651 1 1 19 ARG NH2 N -7.637 8.187 -4.273 1.00 . A A . 19 ARG NH2 1 1 10 4652 1 1 19 ARG O O -4.651 2.075 -2.476 1.00 . A A . 19 ARG O 1 1 10 4653 1 1 19 ARG OXT O -5.073 1.743 -0.366 1.00 . A A . 19 ARG OXT 1 1 10 4654 2 2 1 DT C1' C 8.902 4.860 0.784 1.00 . B B . 20 DT C1' 1 1 10 4655 2 2 1 DT C2 C 10.643 4.028 -0.775 1.00 . B B . 20 DT C2 1 1 10 4656 2 2 1 DT C2' C 7.403 4.620 0.602 1.00 . B B . 20 DT C2' 1 1 10 4657 2 2 1 DT C3' C 6.774 5.415 1.746 1.00 . B B . 20 DT C3' 1 1 10 4658 2 2 1 DT C4 C 11.542 1.761 -0.579 1.00 . B B . 20 DT C4 1 1 10 4659 2 2 1 DT C4' C 7.928 5.623 2.739 1.00 . B B . 20 DT C4' 1 1 10 4660 2 2 1 DT C5 C 10.579 1.531 0.498 1.00 . B B . 20 DT C5 1 1 10 4661 2 2 1 DT C5' C 7.664 5.014 4.129 1.00 . B B . 20 DT C5' 1 1 10 4662 2 2 1 DT C6 C 9.732 2.520 0.890 1.00 . B B . 20 DT C6 1 1 10 4663 2 2 1 DT C7 C 10.536 0.188 1.209 1.00 . B B . 20 DT C7 1 1 10 4664 2 2 1 DT H1' H 9.173 5.775 0.266 1.00 . B B . 20 DT H1' 1 1 10 4665 2 2 1 DT H2' H 7.161 3.565 0.732 1.00 . B B . 20 DT H2' 1 1 10 4666 2 2 1 DT H2'' H 7.059 4.963 -0.371 1.00 . B B . 20 DT H2'' 1 1 10 4667 2 2 1 DT H3 H 12.160 3.201 -1.884 1.00 . B B . 20 DT H3 1 1 10 4668 2 2 1 DT H3' H 6.024 4.779 2.213 1.00 . B B . 20 DT H3' 1 1 10 4669 2 2 1 DT H4' H 8.074 6.697 2.865 1.00 . B B . 20 DT H4' 1 1 10 4670 2 2 1 DT H5' H 8.430 5.369 4.818 1.00 . B B . 20 DT H5' 1 1 10 4671 2 2 1 DT H5'' H 6.702 5.384 4.495 1.00 . B B . 20 DT H5'' 1 1 10 4672 2 2 1 DT H6 H 9.045 2.357 1.712 1.00 . B B . 20 DT H6 1 1 10 4673 2 2 1 DT H71 H 11.506 -0.005 1.674 1.00 . B B . 20 DT H71 1 1 10 4674 2 2 1 DT H72 H 10.339 -0.601 0.486 1.00 . B B . 20 DT H72 1 1 10 4675 2 2 1 DT H73 H 9.763 0.173 1.981 1.00 . B B . 20 DT H73 1 1 10 4676 2 2 1 DT HO5' H 7.413 3.282 5.032 1.00 . B B . 20 DT HO5' 1 1 10 4677 2 2 1 DT N1 N 9.761 3.758 0.283 1.00 . B B . 20 DT N1 1 1 10 4678 2 2 1 DT N3 N 11.493 3.012 -1.153 1.00 . B B . 20 DT N3 1 1 10 4679 2 2 1 DT O2 O 10.690 5.110 -1.366 1.00 . B B . 20 DT O2 1 1 10 4680 2 2 1 DT O3' O 6.127 6.641 1.383 1.00 . B B . 20 DT O3' 1 1 10 4681 2 2 1 DT O4 O 12.382 0.957 -0.983 1.00 . B B . 20 DT O4 1 1 10 4682 2 2 1 DT O4' O 9.106 5.056 2.172 1.00 . B B . 20 DT O4' 1 1 10 4683 2 2 1 DT O5' O 7.654 3.590 4.130 1.00 . B B . 20 DT O5' 1 1 10 4684 2 2 2 DA C1' C 4.709 5.546 -3.867 1.00 . B B . 21 DA C1' 1 1 10 4685 2 2 2 DA C2 C 8.202 2.819 -3.937 1.00 . B B . 21 DA C2 1 1 10 4686 2 2 2 DA C2' C 3.326 6.076 -3.474 1.00 . B B . 21 DA C2' 1 1 10 4687 2 2 2 DA C3' C 3.626 7.183 -2.475 1.00 . B B . 21 DA C3' 1 1 10 4688 2 2 2 DA C4 C 6.301 3.673 -3.110 1.00 . B B . 21 DA C4 1 1 10 4689 2 2 2 DA C4' C 4.941 7.716 -3.064 1.00 . B B . 21 DA C4' 1 1 10 4690 2 2 2 DA C5 C 6.239 2.744 -2.103 1.00 . B B . 21 DA C5 1 1 10 4691 2 2 2 DA C5' C 5.883 8.296 -2.009 1.00 . B B . 21 DA C5' 1 1 10 4692 2 2 2 DA C6 C 7.302 1.812 -2.104 1.00 . B B . 21 DA C6 1 1 10 4693 2 2 2 DA C8 C 4.524 3.958 -1.862 1.00 . B B . 21 DA C8 1 1 10 4694 2 2 2 DA H1' H 4.681 5.159 -4.886 1.00 . B B . 21 DA H1' 1 1 10 4695 2 2 2 DA H2 H 9.006 2.828 -4.660 1.00 . B B . 21 DA H2 1 1 10 4696 2 2 2 DA H2' H 2.684 5.308 -3.061 1.00 . B B . 21 DA H2' 1 1 10 4697 2 2 2 DA H2'' H 2.821 6.474 -4.336 1.00 . B B . 21 DA H2'' 1 1 10 4698 2 2 2 DA H3' H 3.790 6.748 -1.486 1.00 . B B . 21 DA H3' 1 1 10 4699 2 2 2 DA H4' H 4.696 8.513 -3.769 1.00 . B B . 21 DA H4' 1 1 10 4700 2 2 2 DA H5' H 6.820 8.592 -2.476 1.00 . B B . 21 DA H5' 1 1 10 4701 2 2 2 DA H5'' H 5.408 9.181 -1.591 1.00 . B B . 21 DA H5'' 1 1 10 4702 2 2 2 DA H61 H 8.254 0.218 -1.364 1.00 . B B . 21 DA H61 1 1 10 4703 2 2 2 DA H62 H 6.737 0.652 -0.564 1.00 . B B . 21 DA H62 1 1 10 4704 2 2 2 DA H8 H 3.588 4.386 -1.504 1.00 . B B . 21 DA H8 1 1 10 4705 2 2 2 DA N1 N 8.255 1.858 -3.030 1.00 . B B . 21 DA N1 1 1 10 4706 2 2 2 DA N3 N 7.266 3.759 -4.080 1.00 . B B . 21 DA N3 1 1 10 4707 2 2 2 DA N6 N 7.447 0.811 -1.262 1.00 . B B . 21 DA N6 1 1 10 4708 2 2 2 DA N7 N 5.111 2.932 -1.307 1.00 . B B . 21 DA N7 1 1 10 4709 2 2 2 DA N9 N 5.179 4.469 -2.955 1.00 . B B . 21 DA N9 1 1 10 4710 2 2 2 DA O3' O 2.578 8.150 -2.453 1.00 . B B . 21 DA O3' 1 1 10 4711 2 2 2 DA O4' O 5.573 6.665 -3.793 1.00 . B B . 21 DA O4' 1 1 10 4712 2 2 2 DA O5' O 6.123 7.351 -0.981 1.00 . B B . 21 DA O5' 1 1 10 4713 2 2 2 DA OP1 O 8.183 7.729 0.339 1.00 . B B . 21 DA OP1 1 1 10 4714 2 2 2 DA OP2 O 6.067 9.038 0.853 1.00 . B B . 21 DA OP2 1 1 10 4715 2 2 2 DA P P 6.714 7.782 0.419 1.00 . B B . 21 DA P 1 1 10 4716 2 2 3 DC C1' C -1.994 7.559 -0.060 1.00 . B B . 22 DC C1' 1 1 10 4717 2 2 3 DC C2 C -1.762 7.946 -2.547 1.00 . B B . 22 DC C2 1 1 10 4718 2 2 3 DC C2' C -1.416 6.948 1.243 1.00 . B B . 22 DC C2' 1 1 10 4719 2 2 3 DC C3' C -0.471 8.045 1.763 1.00 . B B . 22 DC C3' 1 1 10 4720 2 2 3 DC C4 C -0.432 6.609 -3.864 1.00 . B B . 22 DC C4 1 1 10 4721 2 2 3 DC C4' C -0.882 9.302 0.982 1.00 . B B . 22 DC C4' 1 1 10 4722 2 2 3 DC C5 C -0.029 5.836 -2.757 1.00 . B B . 22 DC C5 1 1 10 4723 2 2 3 DC C5' C 0.242 9.892 0.107 1.00 . B B . 22 DC C5' 1 1 10 4724 2 2 3 DC C6 C -0.448 6.228 -1.535 1.00 . B B . 22 DC C6 1 1 10 4725 2 2 3 DC H1' H -3.028 7.221 -0.151 1.00 . B B . 22 DC H1' 1 1 10 4726 2 2 3 DC H2' H -0.890 5.995 1.126 1.00 . B B . 22 DC H2' 1 1 10 4727 2 2 3 DC H2'' H -2.247 6.761 1.918 1.00 . B B . 22 DC H2'' 1 1 10 4728 2 2 3 DC H3' H 0.530 7.769 1.428 1.00 . B B . 22 DC H3' 1 1 10 4729 2 2 3 DC H4' H -1.186 10.076 1.689 1.00 . B B . 22 DC H4' 1 1 10 4730 2 2 3 DC H41 H -0.185 6.927 -5.817 1.00 . B B . 22 DC H41 1 1 10 4731 2 2 3 DC H42 H 0.502 5.431 -5.180 1.00 . B B . 22 DC H42 1 1 10 4732 2 2 3 DC H5 H 0.601 4.972 -2.863 1.00 . B B . 22 DC H5 1 1 10 4733 2 2 3 DC H5' H -0.174 10.672 -0.529 1.00 . B B . 22 DC H5' 1 1 10 4734 2 2 3 DC H5'' H 0.968 10.353 0.776 1.00 . B B . 22 DC H5'' 1 1 10 4735 2 2 3 DC H6 H -0.128 5.664 -0.683 1.00 . B B . 22 DC H6 1 1 10 4736 2 2 3 DC N1 N -1.310 7.288 -1.380 1.00 . B B . 22 DC N1 1 1 10 4737 2 2 3 DC N3 N -1.297 7.598 -3.776 1.00 . B B . 22 DC N3 1 1 10 4738 2 2 3 DC N4 N -0.018 6.290 -5.053 1.00 . B B . 22 DC N4 1 1 10 4739 2 2 3 DC O2 O -2.660 8.793 -2.537 1.00 . B B . 22 DC O2 1 1 10 4740 2 2 3 DC O3' O -0.389 8.254 3.181 1.00 . B B . 22 DC O3' 1 1 10 4741 2 2 3 DC O4' O -2.014 8.950 0.206 1.00 . B B . 22 DC O4' 1 1 10 4742 2 2 3 DC O5' O 0.908 8.935 -0.707 1.00 . B B . 22 DC O5' 1 1 10 4743 2 2 3 DC OP1 O 2.484 10.541 -1.775 1.00 . B B . 22 DC OP1 1 1 10 4744 2 2 3 DC OP2 O 3.278 8.795 -0.108 1.00 . B B . 22 DC OP2 1 1 10 4745 2 2 3 DC P P 2.391 9.169 -1.222 1.00 . B B . 22 DC P 1 1 10 4746 2 2 4 DG C1' C -0.621 3.394 4.781 1.00 . B B . 23 DG C1' 1 1 10 4747 2 2 4 DG C2 C 2.420 6.712 4.592 1.00 . B B . 23 DG C2 1 1 10 4748 2 2 4 DG C2' C -1.613 2.817 5.816 1.00 . B B . 23 DG C2' 1 1 10 4749 2 2 4 DG C3' C -2.646 3.928 6.046 1.00 . B B . 23 DG C3' 1 1 10 4750 2 2 4 DG C4 C 1.607 4.704 5.227 1.00 . B B . 23 DG C4 1 1 10 4751 2 2 4 DG C4' C -2.535 4.722 4.729 1.00 . B B . 23 DG C4' 1 1 10 4752 2 2 4 DG C5 C 2.717 4.423 6.000 1.00 . B B . 23 DG C5 1 1 10 4753 2 2 4 DG C5' C -2.896 6.220 4.745 1.00 . B B . 23 DG C5' 1 1 10 4754 2 2 4 DG C6 C 3.776 5.399 6.071 1.00 . B B . 23 DG C6 1 1 10 4755 2 2 4 DG C8 C 1.444 2.735 6.152 1.00 . B B . 23 DG C8 1 1 10 4756 2 2 4 DG H1 H 4.247 7.244 5.306 1.00 . B B . 23 DG H1 1 1 10 4757 2 2 4 DG H1' H -0.556 2.698 3.952 1.00 . B B . 23 DG H1' 1 1 10 4758 2 2 4 DG H2' H -1.132 2.566 6.756 1.00 . B B . 23 DG H2' 1 1 10 4759 2 2 4 DG H2'' H -2.073 1.891 5.439 1.00 . B B . 23 DG H2'' 1 1 10 4760 2 2 4 DG H21 H 2.868 8.639 4.303 1.00 . B B . 23 DG H21 1 1 10 4761 2 2 4 DG H22 H 1.385 8.010 3.582 1.00 . B B . 23 DG H22 1 1 10 4762 2 2 4 DG H3' H -2.335 4.561 6.876 1.00 . B B . 23 DG H3' 1 1 10 4763 2 2 4 DG H4' H -3.209 4.243 4.025 1.00 . B B . 23 DG H4' 1 1 10 4764 2 2 4 DG H5' H -3.342 6.447 3.777 1.00 . B B . 23 DG H5' 1 1 10 4765 2 2 4 DG H5'' H -3.650 6.401 5.504 1.00 . B B . 23 DG H5'' 1 1 10 4766 2 2 4 DG H8 H 1.059 1.761 6.407 1.00 . B B . 23 DG H8 1 1 10 4767 2 2 4 DG N1 N 3.539 6.532 5.324 1.00 . B B . 23 DG N1 1 1 10 4768 2 2 4 DG N2 N 2.312 7.853 3.968 1.00 . B B . 23 DG N2 1 1 10 4769 2 2 4 DG N3 N 1.424 5.841 4.487 1.00 . B B . 23 DG N3 1 1 10 4770 2 2 4 DG N7 N 2.601 3.158 6.577 1.00 . B B . 23 DG N7 1 1 10 4771 2 2 4 DG N9 N 0.747 3.618 5.366 1.00 . B B . 23 DG N9 1 1 10 4772 2 2 4 DG O3' O -3.909 3.311 6.306 1.00 . B B . 23 DG O3' 1 1 10 4773 2 2 4 DG O4' O -1.208 4.566 4.258 1.00 . B B . 23 DG O4' 1 1 10 4774 2 2 4 DG O5' O -1.796 7.092 5.001 1.00 . B B . 23 DG O5' 1 1 10 4775 2 2 4 DG O6 O 4.835 5.363 6.701 1.00 . B B . 23 DG O6 1 1 10 4776 2 2 4 DG OP1 O -2.851 8.853 3.525 1.00 . B B . 23 DG OP1 1 1 10 4777 2 2 4 DG OP2 O -1.114 9.438 5.251 1.00 . B B . 23 DG OP2 1 1 10 4778 2 2 4 DG P P -1.596 8.485 4.228 1.00 . B B . 23 DG P 1 1 10 4779 2 2 5 DC C1' C -6.484 4.224 1.409 1.00 . B B . 24 DC C1' 1 1 10 4780 2 2 5 DC C2 C -7.919 2.336 0.694 1.00 . B B . 24 DC C2 1 1 10 4781 2 2 5 DC C2' C -7.435 5.373 1.128 1.00 . B B . 24 DC C2' 1 1 10 4782 2 2 5 DC C3' C -7.738 5.885 2.513 1.00 . B B . 24 DC C3' 1 1 10 4783 2 2 5 DC C4 C -8.778 0.784 2.130 1.00 . B B . 24 DC C4 1 1 10 4784 2 2 5 DC C4' C -6.322 5.849 3.093 1.00 . B B . 24 DC C4' 1 1 10 4785 2 2 5 DC C5 C -8.209 1.433 3.257 1.00 . B B . 24 DC C5 1 1 10 4786 2 2 5 DC C5' C -6.264 5.748 4.627 1.00 . B B . 24 DC C5' 1 1 10 4787 2 2 5 DC C6 C -7.441 2.532 3.031 1.00 . B B . 24 DC C6 1 1 10 4788 2 2 5 DC H1' H -5.884 3.977 0.531 1.00 . B B . 24 DC H1' 1 1 10 4789 2 2 5 DC H2' H -8.297 5.031 0.578 1.00 . B B . 24 DC H2' 1 1 10 4790 2 2 5 DC H2'' H -6.951 6.178 0.615 1.00 . B B . 24 DC H2'' 1 1 10 4791 2 2 5 DC H3' H -8.362 5.153 3.004 1.00 . B B . 24 DC H3' 1 1 10 4792 2 2 5 DC H4' H -5.812 6.760 2.792 1.00 . B B . 24 DC H4' 1 1 10 4793 2 2 5 DC H41 H -9.894 -0.677 1.427 1.00 . B B . 24 DC H41 1 1 10 4794 2 2 5 DC H42 H -9.632 -0.703 3.180 1.00 . B B . 24 DC H42 1 1 10 4795 2 2 5 DC H5 H -8.362 1.066 4.260 1.00 . B B . 24 DC H5 1 1 10 4796 2 2 5 DC H5' H -5.724 6.608 5.012 1.00 . B B . 24 DC H5' 1 1 10 4797 2 2 5 DC H5'' H -7.268 5.777 5.044 1.00 . B B . 24 DC H5'' 1 1 10 4798 2 2 5 DC H6 H -6.962 3.045 3.852 1.00 . B B . 24 DC H6 1 1 10 4799 2 2 5 DC N1 N -7.265 2.992 1.746 1.00 . B B . 24 DC N1 1 1 10 4800 2 2 5 DC N3 N -8.664 1.226 0.896 1.00 . B B . 24 DC N3 1 1 10 4801 2 2 5 DC N4 N -9.494 -0.289 2.265 1.00 . B B . 24 DC N4 1 1 10 4802 2 2 5 DC O2 O -7.903 2.758 -0.460 1.00 . B B . 24 DC O2 1 1 10 4803 2 2 5 DC O3' O -8.360 7.162 2.495 1.00 . B B . 24 DC O3' 1 1 10 4804 2 2 5 DC O4' O -5.670 4.758 2.441 1.00 . B B . 24 DC O4' 1 1 10 4805 2 2 5 DC O5' O -5.600 4.552 5.000 1.00 . B B . 24 DC O5' 1 1 10 4806 2 2 5 DC OP1 O -4.970 5.358 7.284 1.00 . B B . 24 DC OP1 1 1 10 4807 2 2 5 DC OP2 O -6.348 3.238 6.933 1.00 . B B . 24 DC OP2 1 1 10 4808 2 2 5 DC P P -5.263 4.145 6.495 1.00 . B B . 24 DC P 1 1 10 4809 2 2 6 DC C1' C -11.828 3.800 6.177 1.00 . B B . 25 DC C1' 1 1 10 4810 2 2 6 DC C2 C -13.880 3.000 4.911 1.00 . B B . 25 DC C2 1 1 10 4811 2 2 6 DC C2' C -10.518 3.199 5.682 1.00 . B B . 25 DC C2' 1 1 10 4812 2 2 6 DC C3' C -9.617 4.434 5.556 1.00 . B B . 25 DC C3' 1 1 10 4813 2 2 6 DC C4 C -15.369 1.622 5.979 1.00 . B B . 25 DC C4 1 1 10 4814 2 2 6 DC C4' C -10.613 5.602 5.672 1.00 . B B . 25 DC C4' 1 1 10 4815 2 2 6 DC C5 C -14.448 1.342 7.023 1.00 . B B . 25 DC C5 1 1 10 4816 2 2 6 DC C5' C -10.368 6.754 4.705 1.00 . B B . 25 DC C5' 1 1 10 4817 2 2 6 DC C6 C -13.252 1.985 6.982 1.00 . B B . 25 DC C6 1 1 10 4818 2 2 6 DC H1' H -11.717 3.991 7.246 1.00 . B B . 25 DC H1' 1 1 10 4819 2 2 6 DC H2' H -10.697 2.713 4.727 1.00 . B B . 25 DC H2' 1 1 10 4820 2 2 6 DC H2'' H -10.120 2.473 6.387 1.00 . B B . 25 DC H2'' 1 1 10 4821 2 2 6 DC H3' H -9.085 4.459 4.592 1.00 . B B . 25 DC H3' 1 1 10 4822 2 2 6 DC H4' H -10.534 6.010 6.681 1.00 . B B . 25 DC H4' 1 1 10 4823 2 2 6 DC H41 H -17.211 1.449 5.280 1.00 . B B . 25 DC H41 1 1 10 4824 2 2 6 DC H42 H -16.917 0.662 6.825 1.00 . B B . 25 DC H42 1 1 10 4825 2 2 6 DC H5 H -14.672 0.654 7.826 1.00 . B B . 25 DC H5 1 1 10 4826 2 2 6 DC H5' H -11.055 7.568 4.938 1.00 . B B . 25 DC H5' 1 1 10 4827 2 2 6 DC H5'' H -9.354 7.116 4.875 1.00 . B B . 25 DC H5'' 1 1 10 4828 2 2 6 DC H6 H -12.481 1.814 7.725 1.00 . B B . 25 DC H6 1 1 10 4829 2 2 6 DC HO3' H -7.953 3.884 6.540 1.00 . B B . 25 DC HO3' 1 1 10 4830 2 2 6 DC N1 N -12.994 2.890 5.993 1.00 . B B . 25 DC N1 1 1 10 4831 2 2 6 DC N3 N -15.091 2.396 4.952 1.00 . B B . 25 DC N3 1 1 10 4832 2 2 6 DC N4 N -16.584 1.168 6.016 1.00 . B B . 25 DC N4 1 1 10 4833 2 2 6 DC O2 O -13.603 3.610 3.879 1.00 . B B . 25 DC O2 1 1 10 4834 2 2 6 DC O3' O -8.727 4.478 6.667 1.00 . B B . 25 DC O3' 1 1 10 4835 2 2 6 DC O4' O -11.910 5.053 5.528 1.00 . B B . 25 DC O4' 1 1 10 4836 2 2 6 DC O5' O -10.520 6.357 3.348 1.00 . B B . 25 DC O5' 1 1 10 4837 2 2 6 DC OP1 O -10.198 6.626 0.873 1.00 . B B . 25 DC OP1 1 1 10 4838 2 2 6 DC OP2 O -10.385 8.650 2.417 1.00 . B B . 25 DC OP2 1 1 10 4839 2 2 6 DC P P -9.924 7.268 2.181 1.00 . B B . 25 DC P 1 1 10 4840 3 3 1 ZN ZN ZN 0.388 -3.982 -0.037 1.00 . C A . 26 ZN ZN 1 1 11 4841 1 1 1 LYS C C -4.028 -11.424 5.520 1.00 . A A . 1 LYS C 1 1 11 4842 1 1 1 LYS CA C -5.430 -11.564 6.098 1.00 . A A . 1 LYS CA 1 1 11 4843 1 1 1 LYS CB C -5.667 -10.451 7.142 1.00 . A A . 1 LYS CB 1 1 11 4844 1 1 1 LYS CD C -8.233 -10.825 7.395 1.00 . A A . 1 LYS CD 1 1 11 4845 1 1 1 LYS CE C -8.877 -11.226 6.064 1.00 . A A . 1 LYS CE 1 1 11 4846 1 1 1 LYS CG C -7.074 -9.839 7.185 1.00 . A A . 1 LYS CG 1 1 11 4847 1 1 1 LYS H1 H -5.064 -13.601 6.149 1.00 . A A . 1 LYS H1 1 1 11 4848 1 1 1 LYS H2 H -6.596 -13.224 6.573 1.00 . A A . 1 LYS H2 1 1 11 4849 1 1 1 LYS H3 H -5.361 -12.966 7.633 1.00 . A A . 1 LYS H3 1 1 11 4850 1 1 1 LYS HA H -6.114 -11.425 5.262 1.00 . A A . 1 LYS HA 1 1 11 4851 1 1 1 LYS HB2 H -5.402 -10.815 8.135 1.00 . A A . 1 LYS HB2 1 1 11 4852 1 1 1 LYS HB3 H -4.987 -9.621 6.935 1.00 . A A . 1 LYS HB3 1 1 11 4853 1 1 1 LYS HD2 H -7.891 -11.702 7.945 1.00 . A A . 1 LYS HD2 1 1 11 4854 1 1 1 LYS HD3 H -8.992 -10.329 7.996 1.00 . A A . 1 LYS HD3 1 1 11 4855 1 1 1 LYS HE2 H -9.296 -10.335 5.587 1.00 . A A . 1 LYS HE2 1 1 11 4856 1 1 1 LYS HE3 H -8.120 -11.636 5.392 1.00 . A A . 1 LYS HE3 1 1 11 4857 1 1 1 LYS HG2 H -7.090 -9.133 8.017 1.00 . A A . 1 LYS HG2 1 1 11 4858 1 1 1 LYS HG3 H -7.247 -9.263 6.272 1.00 . A A . 1 LYS HG3 1 1 11 4859 1 1 1 LYS HZ1 H -10.379 -12.467 5.384 1.00 . A A . 1 LYS HZ1 1 1 11 4860 1 1 1 LYS HZ2 H -10.664 -11.863 6.889 1.00 . A A . 1 LYS HZ2 1 1 11 4861 1 1 1 LYS HZ3 H -9.556 -13.083 6.661 1.00 . A A . 1 LYS HZ3 1 1 11 4862 1 1 1 LYS N N -5.628 -12.928 6.655 1.00 . A A . 1 LYS N 1 1 11 4863 1 1 1 LYS NZ N -9.943 -12.224 6.273 1.00 . A A . 1 LYS NZ 1 1 11 4864 1 1 1 LYS O O -3.100 -12.064 6.003 1.00 . A A . 1 LYS O 1 1 11 4865 1 1 2 GLY C C -2.218 -8.803 3.856 1.00 . A A . 2 GLY C 1 1 11 4866 1 1 2 GLY CA C -2.560 -10.287 3.889 1.00 . A A . 2 GLY CA 1 1 11 4867 1 1 2 GLY H H -4.681 -10.133 4.111 1.00 . A A . 2 GLY H 1 1 11 4868 1 1 2 GLY HA2 H -1.765 -10.785 4.441 1.00 . A A . 2 GLY HA2 1 1 11 4869 1 1 2 GLY HA3 H -2.557 -10.677 2.878 1.00 . A A . 2 GLY HA3 1 1 11 4870 1 1 2 GLY N N -3.858 -10.575 4.509 1.00 . A A . 2 GLY N 1 1 11 4871 1 1 2 GLY O O -2.182 -8.167 4.907 1.00 . A A . 2 GLY O 1 1 11 4872 1 1 3 CYS C C -3.076 -6.056 2.903 1.00 . A A . 3 CYS C 1 1 11 4873 1 1 3 CYS CA C -1.789 -6.800 2.504 1.00 . A A . 3 CYS CA 1 1 11 4874 1 1 3 CYS CB C -1.430 -6.449 1.048 1.00 . A A . 3 CYS CB 1 1 11 4875 1 1 3 CYS H H -2.014 -8.820 1.840 1.00 . A A . 3 CYS H 1 1 11 4876 1 1 3 CYS HA H -0.973 -6.476 3.152 1.00 . A A . 3 CYS HA 1 1 11 4877 1 1 3 CYS HB2 H -1.235 -7.363 0.497 1.00 . A A . 3 CYS HB2 1 1 11 4878 1 1 3 CYS HB3 H -2.290 -5.969 0.599 1.00 . A A . 3 CYS HB3 1 1 11 4879 1 1 3 CYS N N -1.959 -8.250 2.664 1.00 . A A . 3 CYS N 1 1 11 4880 1 1 3 CYS O O -4.193 -6.567 2.764 1.00 . A A . 3 CYS O 1 1 11 4881 1 1 3 CYS SG S -0.038 -5.277 0.888 1.00 . A A . 3 CYS SG 1 1 11 4882 1 1 4 TRP C C -4.875 -3.465 2.520 1.00 . A A . 4 TRP C 1 1 11 4883 1 1 4 TRP CA C -3.963 -3.879 3.691 1.00 . A A . 4 TRP CA 1 1 11 4884 1 1 4 TRP CB C -3.248 -2.688 4.319 1.00 . A A . 4 TRP CB 1 1 11 4885 1 1 4 TRP CD1 C -5.073 -0.946 4.603 1.00 . A A . 4 TRP CD1 1 1 11 4886 1 1 4 TRP CD2 C -3.281 -0.267 3.446 1.00 . A A . 4 TRP CD2 1 1 11 4887 1 1 4 TRP CE2 C -4.193 0.815 3.450 1.00 . A A . 4 TRP CE2 1 1 11 4888 1 1 4 TRP CE3 C -2.039 -0.094 2.821 1.00 . A A . 4 TRP CE3 1 1 11 4889 1 1 4 TRP CG C -3.876 -1.370 4.149 1.00 . A A . 4 TRP CG 1 1 11 4890 1 1 4 TRP CH2 C -2.645 2.177 2.181 1.00 . A A . 4 TRP CH2 1 1 11 4891 1 1 4 TRP CZ2 C -3.882 2.020 2.823 1.00 . A A . 4 TRP CZ2 1 1 11 4892 1 1 4 TRP CZ3 C -1.731 1.112 2.198 1.00 . A A . 4 TRP CZ3 1 1 11 4893 1 1 4 TRP H H -1.943 -4.513 3.419 1.00 . A A . 4 TRP H 1 1 11 4894 1 1 4 TRP HA H -4.603 -4.329 4.446 1.00 . A A . 4 TRP HA 1 1 11 4895 1 1 4 TRP HB2 H -3.119 -2.835 5.371 1.00 . A A . 4 TRP HB2 1 1 11 4896 1 1 4 TRP HB3 H -2.241 -2.620 3.909 1.00 . A A . 4 TRP HB3 1 1 11 4897 1 1 4 TRP HD1 H -5.761 -1.540 5.189 1.00 . A A . 4 TRP HD1 1 1 11 4898 1 1 4 TRP HE1 H -6.066 0.913 4.460 1.00 . A A . 4 TRP HE1 1 1 11 4899 1 1 4 TRP HE3 H -1.318 -0.895 2.810 1.00 . A A . 4 TRP HE3 1 1 11 4900 1 1 4 TRP HH2 H -2.399 3.114 1.707 1.00 . A A . 4 TRP HH2 1 1 11 4901 1 1 4 TRP HZ2 H -4.589 2.815 2.853 1.00 . A A . 4 TRP HZ2 1 1 11 4902 1 1 4 TRP HZ3 H -0.770 1.190 1.758 1.00 . A A . 4 TRP HZ3 1 1 11 4903 1 1 4 TRP N N -2.901 -4.812 3.314 1.00 . A A . 4 TRP N 1 1 11 4904 1 1 4 TRP NE1 N -5.266 0.355 4.183 1.00 . A A . 4 TRP NE1 1 1 11 4905 1 1 4 TRP O O -6.104 -3.480 2.660 1.00 . A A . 4 TRP O 1 1 11 4906 1 1 5 LYS C C -4.906 -3.701 -1.015 1.00 . A A . 5 LYS C 1 1 11 4907 1 1 5 LYS CA C -5.020 -2.704 0.146 1.00 . A A . 5 LYS CA 1 1 11 4908 1 1 5 LYS CB C -4.626 -1.257 -0.213 1.00 . A A . 5 LYS CB 1 1 11 4909 1 1 5 LYS CD C -3.016 -1.139 -2.234 1.00 . A A . 5 LYS CD 1 1 11 4910 1 1 5 LYS CE C -3.614 0.111 -2.886 1.00 . A A . 5 LYS CE 1 1 11 4911 1 1 5 LYS CG C -3.178 -1.069 -0.707 1.00 . A A . 5 LYS CG 1 1 11 4912 1 1 5 LYS H H -3.284 -3.058 1.365 1.00 . A A . 5 LYS H 1 1 11 4913 1 1 5 LYS HA H -6.084 -2.670 0.369 1.00 . A A . 5 LYS HA 1 1 11 4914 1 1 5 LYS HB2 H -5.325 -0.871 -0.954 1.00 . A A . 5 LYS HB2 1 1 11 4915 1 1 5 LYS HB3 H -4.755 -0.643 0.681 1.00 . A A . 5 LYS HB3 1 1 11 4916 1 1 5 LYS HD2 H -1.952 -1.199 -2.470 1.00 . A A . 5 LYS HD2 1 1 11 4917 1 1 5 LYS HD3 H -3.507 -2.029 -2.620 1.00 . A A . 5 LYS HD3 1 1 11 4918 1 1 5 LYS HE2 H -4.677 0.173 -2.654 1.00 . A A . 5 LYS HE2 1 1 11 4919 1 1 5 LYS HE3 H -3.165 1.013 -2.432 1.00 . A A . 5 LYS HE3 1 1 11 4920 1 1 5 LYS HG2 H -2.814 -0.097 -0.369 1.00 . A A . 5 LYS HG2 1 1 11 4921 1 1 5 LYS HG3 H -2.546 -1.824 -0.248 1.00 . A A . 5 LYS HG3 1 1 11 4922 1 1 5 LYS HZ1 H -3.869 0.964 -4.745 1.00 . A A . 5 LYS HZ1 1 1 11 4923 1 1 5 LYS HZ2 H -3.773 -0.676 -4.817 1.00 . A A . 5 LYS HZ2 1 1 11 4924 1 1 5 LYS HZ3 H -2.428 0.264 -4.576 1.00 . A A . 5 LYS HZ3 1 1 11 4925 1 1 5 LYS N N -4.292 -3.121 1.365 1.00 . A A . 5 LYS N 1 1 11 4926 1 1 5 LYS NZ N -3.409 0.148 -4.352 1.00 . A A . 5 LYS NZ 1 1 11 4927 1 1 5 LYS O O -5.827 -3.804 -1.827 1.00 . A A . 5 LYS O 1 1 11 4928 1 1 6 CYS C C -4.173 -6.704 -2.090 1.00 . A A . 6 CYS C 1 1 11 4929 1 1 6 CYS CA C -3.455 -5.346 -2.188 1.00 . A A . 6 CYS CA 1 1 11 4930 1 1 6 CYS CB C -1.926 -5.500 -2.247 1.00 . A A . 6 CYS CB 1 1 11 4931 1 1 6 CYS H H -3.039 -4.204 -0.480 1.00 . A A . 6 CYS H 1 1 11 4932 1 1 6 CYS HA H -3.765 -4.871 -3.117 1.00 . A A . 6 CYS HA 1 1 11 4933 1 1 6 CYS HB2 H -1.608 -6.327 -1.611 1.00 . A A . 6 CYS HB2 1 1 11 4934 1 1 6 CYS HB3 H -1.666 -5.750 -3.276 1.00 . A A . 6 CYS HB3 1 1 11 4935 1 1 6 CYS N N -3.803 -4.453 -1.082 1.00 . A A . 6 CYS N 1 1 11 4936 1 1 6 CYS O O -4.951 -7.074 -2.970 1.00 . A A . 6 CYS O 1 1 11 4937 1 1 6 CYS SG S -1.085 -3.980 -1.724 1.00 . A A . 6 CYS SG 1 1 11 4938 1 1 7 GLY C C -3.765 -9.942 -1.094 1.00 . A A . 7 GLY C 1 1 11 4939 1 1 7 GLY CA C -4.586 -8.715 -0.699 1.00 . A A . 7 GLY CA 1 1 11 4940 1 1 7 GLY H H -3.339 -7.031 -0.300 1.00 . A A . 7 GLY H 1 1 11 4941 1 1 7 GLY HA2 H -4.806 -8.774 0.369 1.00 . A A . 7 GLY HA2 1 1 11 4942 1 1 7 GLY HA3 H -5.517 -8.776 -1.252 1.00 . A A . 7 GLY HA3 1 1 11 4943 1 1 7 GLY N N -3.951 -7.426 -0.989 1.00 . A A . 7 GLY N 1 1 11 4944 1 1 7 GLY O O -4.321 -10.872 -1.672 1.00 . A A . 7 GLY O 1 1 11 4945 1 1 8 LYS C C -0.505 -11.487 -0.336 1.00 . A A . 8 LYS C 1 1 11 4946 1 1 8 LYS CA C -1.497 -10.928 -1.370 1.00 . A A . 8 LYS CA 1 1 11 4947 1 1 8 LYS CB C -0.742 -10.365 -2.586 1.00 . A A . 8 LYS CB 1 1 11 4948 1 1 8 LYS CD C -0.830 -9.160 -4.861 1.00 . A A . 8 LYS CD 1 1 11 4949 1 1 8 LYS CE C -0.173 -7.775 -4.727 1.00 . A A . 8 LYS CE 1 1 11 4950 1 1 8 LYS CG C -1.622 -9.652 -3.639 1.00 . A A . 8 LYS CG 1 1 11 4951 1 1 8 LYS H H -2.059 -9.066 -0.471 1.00 . A A . 8 LYS H 1 1 11 4952 1 1 8 LYS HA H -2.073 -11.794 -1.697 1.00 . A A . 8 LYS HA 1 1 11 4953 1 1 8 LYS HB2 H 0.009 -9.680 -2.207 1.00 . A A . 8 LYS HB2 1 1 11 4954 1 1 8 LYS HB3 H -0.222 -11.191 -3.069 1.00 . A A . 8 LYS HB3 1 1 11 4955 1 1 8 LYS HD2 H -0.069 -9.896 -5.121 1.00 . A A . 8 LYS HD2 1 1 11 4956 1 1 8 LYS HD3 H -1.531 -9.090 -5.692 1.00 . A A . 8 LYS HD3 1 1 11 4957 1 1 8 LYS HE2 H 0.423 -7.597 -5.629 1.00 . A A . 8 LYS HE2 1 1 11 4958 1 1 8 LYS HE3 H -0.952 -7.008 -4.714 1.00 . A A . 8 LYS HE3 1 1 11 4959 1 1 8 LYS HG2 H -2.374 -10.364 -3.984 1.00 . A A . 8 LYS HG2 1 1 11 4960 1 1 8 LYS HG3 H -2.137 -8.799 -3.198 1.00 . A A . 8 LYS HG3 1 1 11 4961 1 1 8 LYS HZ1 H 0.168 -7.681 -2.670 1.00 . A A . 8 LYS HZ1 1 1 11 4962 1 1 8 LYS HZ2 H 1.252 -6.802 -3.563 1.00 . A A . 8 LYS HZ2 1 1 11 4963 1 1 8 LYS HZ3 H 1.353 -8.425 -3.488 1.00 . A A . 8 LYS HZ3 1 1 11 4964 1 1 8 LYS N N -2.442 -9.911 -0.863 1.00 . A A . 8 LYS N 1 1 11 4965 1 1 8 LYS NZ N 0.694 -7.649 -3.537 1.00 . A A . 8 LYS NZ 1 1 11 4966 1 1 8 LYS O O 0.484 -12.117 -0.696 1.00 . A A . 8 LYS O 1 1 11 4967 1 1 9 GLU C C 1.609 -11.252 1.988 1.00 . A A . 9 GLU C 1 1 11 4968 1 1 9 GLU CA C 0.117 -11.643 2.088 1.00 . A A . 9 GLU CA 1 1 11 4969 1 1 9 GLU CB C -0.089 -13.148 2.367 1.00 . A A . 9 GLU CB 1 1 11 4970 1 1 9 GLU CD C -1.835 -14.984 2.639 1.00 . A A . 9 GLU CD 1 1 11 4971 1 1 9 GLU CG C -1.545 -13.486 2.729 1.00 . A A . 9 GLU CG 1 1 11 4972 1 1 9 GLU H H -1.663 -10.872 1.145 1.00 . A A . 9 GLU H 1 1 11 4973 1 1 9 GLU HA H -0.223 -11.120 2.976 1.00 . A A . 9 GLU HA 1 1 11 4974 1 1 9 GLU HB2 H 0.216 -13.704 1.483 1.00 . A A . 9 GLU HB2 1 1 11 4975 1 1 9 GLU HB3 H 0.543 -13.460 3.200 1.00 . A A . 9 GLU HB3 1 1 11 4976 1 1 9 GLU HG2 H -1.751 -13.115 3.733 1.00 . A A . 9 GLU HG2 1 1 11 4977 1 1 9 GLU HG3 H -2.230 -12.980 2.048 1.00 . A A . 9 GLU HG3 1 1 11 4978 1 1 9 GLU N N -0.739 -11.218 0.952 1.00 . A A . 9 GLU N 1 1 11 4979 1 1 9 GLU O O 2.461 -11.828 2.671 1.00 . A A . 9 GLU O 1 1 11 4980 1 1 9 GLU OE1 O -1.545 -15.589 1.577 1.00 . A A . 9 GLU OE1 1 1 11 4981 1 1 9 GLU OE2 O -2.481 -15.544 3.558 1.00 . A A . 9 GLU OE2 1 1 11 4982 1 1 10 GLY C C 4.002 -9.126 1.971 1.00 . A A . 10 GLY C 1 1 11 4983 1 1 10 GLY CA C 3.330 -9.898 0.845 1.00 . A A . 10 GLY CA 1 1 11 4984 1 1 10 GLY H H 1.224 -9.717 0.718 1.00 . A A . 10 GLY H 1 1 11 4985 1 1 10 GLY HA2 H 3.904 -10.801 0.636 1.00 . A A . 10 GLY HA2 1 1 11 4986 1 1 10 GLY HA3 H 3.329 -9.275 -0.049 1.00 . A A . 10 GLY HA3 1 1 11 4987 1 1 10 GLY N N 1.950 -10.255 1.164 1.00 . A A . 10 GLY N 1 1 11 4988 1 1 10 GLY O O 5.173 -9.376 2.274 1.00 . A A . 10 GLY O 1 1 11 4989 1 1 11 HIS C C 2.585 -6.742 4.533 1.00 . A A . 11 HIS C 1 1 11 4990 1 1 11 HIS CA C 3.731 -7.454 3.781 1.00 . A A . 11 HIS CA 1 1 11 4991 1 1 11 HIS CB C 4.789 -6.444 3.301 1.00 . A A . 11 HIS CB 1 1 11 4992 1 1 11 HIS CD2 C 3.221 -4.921 1.999 1.00 . A A . 11 HIS CD2 1 1 11 4993 1 1 11 HIS CE1 C 4.260 -4.836 0.076 1.00 . A A . 11 HIS CE1 1 1 11 4994 1 1 11 HIS CG C 4.364 -5.656 2.102 1.00 . A A . 11 HIS CG 1 1 11 4995 1 1 11 HIS H H 2.310 -8.051 2.317 1.00 . A A . 11 HIS H 1 1 11 4996 1 1 11 HIS HA H 4.195 -8.138 4.482 1.00 . A A . 11 HIS HA 1 1 11 4997 1 1 11 HIS HB2 H 5.010 -5.752 4.105 1.00 . A A . 11 HIS HB2 1 1 11 4998 1 1 11 HIS HB3 H 5.712 -6.964 3.057 1.00 . A A . 11 HIS HB3 1 1 11 4999 1 1 11 HIS HD1 H 5.873 -6.057 0.635 1.00 . A A . 11 HIS HD1 1 1 11 5000 1 1 11 HIS HD2 H 2.515 -4.714 2.796 1.00 . A A . 11 HIS HD2 1 1 11 5001 1 1 11 HIS HE1 H 4.495 -4.557 -0.934 1.00 . A A . 11 HIS HE1 1 1 11 5002 1 1 11 HIS N N 3.262 -8.224 2.625 1.00 . A A . 11 HIS N 1 1 11 5003 1 1 11 HIS ND1 N 5.013 -5.583 0.894 1.00 . A A . 11 HIS ND1 1 1 11 5004 1 1 11 HIS NE2 N 3.139 -4.455 0.687 1.00 . A A . 11 HIS NE2 1 1 11 5005 1 1 11 HIS O O 1.413 -6.918 4.207 1.00 . A A . 11 HIS O 1 1 11 5006 1 1 12 GLN C C 2.060 -3.609 5.827 1.00 . A A . 12 GLN C 1 1 11 5007 1 1 12 GLN CA C 2.048 -5.059 6.308 1.00 . A A . 12 GLN CA 1 1 11 5008 1 1 12 GLN CB C 2.413 -5.259 7.795 1.00 . A A . 12 GLN CB 1 1 11 5009 1 1 12 GLN CD C 1.663 -5.498 10.212 1.00 . A A . 12 GLN CD 1 1 11 5010 1 1 12 GLN CG C 1.239 -5.145 8.785 1.00 . A A . 12 GLN CG 1 1 11 5011 1 1 12 GLN H H 3.943 -5.805 5.689 1.00 . A A . 12 GLN H 1 1 11 5012 1 1 12 GLN HA H 1.017 -5.341 6.145 1.00 . A A . 12 GLN HA 1 1 11 5013 1 1 12 GLN HB2 H 2.824 -6.262 7.908 1.00 . A A . 12 GLN HB2 1 1 11 5014 1 1 12 GLN HB3 H 3.200 -4.559 8.075 1.00 . A A . 12 GLN HB3 1 1 11 5015 1 1 12 GLN HE21 H 2.320 -7.360 9.725 1.00 . A A . 12 GLN HE21 1 1 11 5016 1 1 12 GLN HE22 H 2.629 -6.821 11.355 1.00 . A A . 12 GLN HE22 1 1 11 5017 1 1 12 GLN HG2 H 0.842 -4.131 8.771 1.00 . A A . 12 GLN HG2 1 1 11 5018 1 1 12 GLN HG3 H 0.448 -5.825 8.493 1.00 . A A . 12 GLN HG3 1 1 11 5019 1 1 12 GLN N N 2.945 -5.907 5.515 1.00 . A A . 12 GLN N 1 1 11 5020 1 1 12 GLN NE2 N 2.189 -6.673 10.458 1.00 . A A . 12 GLN NE2 1 1 11 5021 1 1 12 GLN O O 2.898 -3.213 5.022 1.00 . A A . 12 GLN O 1 1 11 5022 1 1 12 GLN OE1 O 1.558 -4.708 11.140 1.00 . A A . 12 GLN OE1 1 1 11 5023 1 1 13 MET C C 2.000 -0.547 5.617 1.00 . A A . 13 MET C 1 1 11 5024 1 1 13 MET CA C 0.801 -1.478 5.723 1.00 . A A . 13 MET CA 1 1 11 5025 1 1 13 MET CB C -0.250 -0.787 6.583 1.00 . A A . 13 MET CB 1 1 11 5026 1 1 13 MET CE C -3.177 -2.228 9.034 1.00 . A A . 13 MET CE 1 1 11 5027 1 1 13 MET CG C -1.394 -1.681 7.032 1.00 . A A . 13 MET CG 1 1 11 5028 1 1 13 MET H H 0.432 -3.189 6.928 1.00 . A A . 13 MET H 1 1 11 5029 1 1 13 MET HA H 0.401 -1.589 4.719 1.00 . A A . 13 MET HA 1 1 11 5030 1 1 13 MET HB2 H 0.222 -0.361 7.468 1.00 . A A . 13 MET HB2 1 1 11 5031 1 1 13 MET HB3 H -0.662 0.002 5.967 1.00 . A A . 13 MET HB3 1 1 11 5032 1 1 13 MET HE1 H -3.653 -1.286 8.761 1.00 . A A . 13 MET HE1 1 1 11 5033 1 1 13 MET HE2 H -3.581 -3.028 8.416 1.00 . A A . 13 MET HE2 1 1 11 5034 1 1 13 MET HE3 H -3.394 -2.436 10.077 1.00 . A A . 13 MET HE3 1 1 11 5035 1 1 13 MET HG2 H -2.321 -1.192 6.792 1.00 . A A . 13 MET HG2 1 1 11 5036 1 1 13 MET HG3 H -1.388 -2.573 6.430 1.00 . A A . 13 MET HG3 1 1 11 5037 1 1 13 MET N N 1.115 -2.796 6.294 1.00 . A A . 13 MET N 1 1 11 5038 1 1 13 MET O O 2.162 0.140 4.616 1.00 . A A . 13 MET O 1 1 11 5039 1 1 13 MET SD S -1.388 -2.102 8.790 1.00 . A A . 13 MET SD 1 1 11 5040 1 1 14 LYS C C 5.149 -0.197 5.731 1.00 . A A . 14 LYS C 1 1 11 5041 1 1 14 LYS CA C 4.130 0.081 6.825 1.00 . A A . 14 LYS CA 1 1 11 5042 1 1 14 LYS CB C 4.669 -0.338 8.193 1.00 . A A . 14 LYS CB 1 1 11 5043 1 1 14 LYS CD C 4.211 -2.120 9.981 1.00 . A A . 14 LYS CD 1 1 11 5044 1 1 14 LYS CE C 2.690 -2.069 10.246 1.00 . A A . 14 LYS CE 1 1 11 5045 1 1 14 LYS CG C 4.650 -1.838 8.532 1.00 . A A . 14 LYS CG 1 1 11 5046 1 1 14 LYS H H 2.541 -1.182 7.413 1.00 . A A . 14 LYS H 1 1 11 5047 1 1 14 LYS HA H 3.978 1.154 6.829 1.00 . A A . 14 LYS HA 1 1 11 5048 1 1 14 LYS HB2 H 5.667 0.071 8.353 1.00 . A A . 14 LYS HB2 1 1 11 5049 1 1 14 LYS HB3 H 4.013 0.128 8.884 1.00 . A A . 14 LYS HB3 1 1 11 5050 1 1 14 LYS HD2 H 4.531 -3.138 10.215 1.00 . A A . 14 LYS HD2 1 1 11 5051 1 1 14 LYS HD3 H 4.738 -1.459 10.673 1.00 . A A . 14 LYS HD3 1 1 11 5052 1 1 14 LYS HE2 H 2.152 -2.547 9.426 1.00 . A A . 14 LYS HE2 1 1 11 5053 1 1 14 LYS HE3 H 2.512 -2.675 11.137 1.00 . A A . 14 LYS HE3 1 1 11 5054 1 1 14 LYS HG2 H 3.996 -2.396 7.865 1.00 . A A . 14 LYS HG2 1 1 11 5055 1 1 14 LYS HG3 H 5.658 -2.214 8.392 1.00 . A A . 14 LYS HG3 1 1 11 5056 1 1 14 LYS HZ1 H 2.020 -0.131 9.699 1.00 . A A . 14 LYS HZ1 1 1 11 5057 1 1 14 LYS HZ2 H 2.727 -0.201 11.163 1.00 . A A . 14 LYS HZ2 1 1 11 5058 1 1 14 LYS HZ3 H 1.208 -0.794 10.947 1.00 . A A . 14 LYS HZ3 1 1 11 5059 1 1 14 LYS N N 2.830 -0.578 6.659 1.00 . A A . 14 LYS N 1 1 11 5060 1 1 14 LYS NZ N 2.131 -0.722 10.521 1.00 . A A . 14 LYS NZ 1 1 11 5061 1 1 14 LYS O O 6.115 0.541 5.557 1.00 . A A . 14 LYS O 1 1 11 5062 1 1 15 ASP C C 5.017 -1.754 2.590 1.00 . A A . 15 ASP C 1 1 11 5063 1 1 15 ASP CA C 5.744 -1.813 3.947 1.00 . A A . 15 ASP CA 1 1 11 5064 1 1 15 ASP CB C 6.069 -3.239 4.365 1.00 . A A . 15 ASP CB 1 1 11 5065 1 1 15 ASP CG C 7.575 -3.496 4.454 1.00 . A A . 15 ASP CG 1 1 11 5066 1 1 15 ASP H H 4.119 -1.852 5.275 1.00 . A A . 15 ASP H 1 1 11 5067 1 1 15 ASP HA H 6.676 -1.271 3.863 1.00 . A A . 15 ASP HA 1 1 11 5068 1 1 15 ASP HB2 H 5.557 -3.453 5.320 1.00 . A A . 15 ASP HB2 1 1 11 5069 1 1 15 ASP HB3 H 5.671 -3.882 3.594 1.00 . A A . 15 ASP HB3 1 1 11 5070 1 1 15 ASP N N 4.920 -1.281 5.015 1.00 . A A . 15 ASP N 1 1 11 5071 1 1 15 ASP O O 5.661 -1.740 1.543 1.00 . A A . 15 ASP O 1 1 11 5072 1 1 15 ASP OD1 O 8.203 -3.176 5.492 1.00 . A A . 15 ASP OD1 1 1 11 5073 1 1 15 ASP OD2 O 8.135 -4.082 3.497 1.00 . A A . 15 ASP OD2 1 1 11 5074 1 1 16 CYS C C 2.759 -0.038 1.068 1.00 . A A . 16 CYS C 1 1 11 5075 1 1 16 CYS CA C 2.802 -1.504 1.482 1.00 . A A . 16 CYS CA 1 1 11 5076 1 1 16 CYS CB C 1.427 -2.104 1.822 1.00 . A A . 16 CYS CB 1 1 11 5077 1 1 16 CYS H H 3.239 -1.745 3.528 1.00 . A A . 16 CYS H 1 1 11 5078 1 1 16 CYS HA H 3.229 -2.056 0.662 1.00 . A A . 16 CYS HA 1 1 11 5079 1 1 16 CYS HB2 H 1.524 -3.139 2.068 1.00 . A A . 16 CYS HB2 1 1 11 5080 1 1 16 CYS HB3 H 1.101 -1.686 2.750 1.00 . A A . 16 CYS HB3 1 1 11 5081 1 1 16 CYS N N 3.679 -1.683 2.626 1.00 . A A . 16 CYS N 1 1 11 5082 1 1 16 CYS O O 3.380 0.332 0.075 1.00 . A A . 16 CYS O 1 1 11 5083 1 1 16 CYS SG S 0.181 -1.935 0.528 1.00 . A A . 16 CYS SG 1 1 11 5084 1 1 17 THR C C 1.377 2.497 0.167 1.00 . A A . 17 THR C 1 1 11 5085 1 1 17 THR CA C 1.795 2.210 1.625 1.00 . A A . 17 THR CA 1 1 11 5086 1 1 17 THR CB C 2.941 3.087 2.178 1.00 . A A . 17 THR CB 1 1 11 5087 1 1 17 THR CG2 C 4.290 2.864 1.493 1.00 . A A . 17 THR CG2 1 1 11 5088 1 1 17 THR H H 1.704 0.369 2.703 1.00 . A A . 17 THR H 1 1 11 5089 1 1 17 THR HA H 0.925 2.450 2.247 1.00 . A A . 17 THR HA 1 1 11 5090 1 1 17 THR HB H 3.071 2.844 3.234 1.00 . A A . 17 THR HB 1 1 11 5091 1 1 17 THR HG1 H 2.062 4.691 2.861 1.00 . A A . 17 THR HG1 1 1 11 5092 1 1 17 THR HG21 H 5.013 3.581 1.860 1.00 . A A . 17 THR HG21 1 1 11 5093 1 1 17 THR HG22 H 4.193 2.975 0.417 1.00 . A A . 17 THR HG22 1 1 11 5094 1 1 17 THR HG23 H 4.658 1.866 1.731 1.00 . A A . 17 THR HG23 1 1 11 5095 1 1 17 THR N N 2.061 0.785 1.856 1.00 . A A . 17 THR N 1 1 11 5096 1 1 17 THR O O 1.722 3.521 -0.411 1.00 . A A . 17 THR O 1 1 11 5097 1 1 17 THR OG1 O 2.620 4.458 2.102 1.00 . A A . 17 THR OG1 1 1 11 5098 1 1 18 GLU C C -1.137 2.275 -2.188 1.00 . A A . 18 GLU C 1 1 11 5099 1 1 18 GLU CA C 0.280 1.740 -1.908 1.00 . A A . 18 GLU CA 1 1 11 5100 1 1 18 GLU CB C 0.579 0.460 -2.688 1.00 . A A . 18 GLU CB 1 1 11 5101 1 1 18 GLU CD C 2.569 -0.359 -4.035 1.00 . A A . 18 GLU CD 1 1 11 5102 1 1 18 GLU CG C 2.051 0.053 -2.658 1.00 . A A . 18 GLU CG 1 1 11 5103 1 1 18 GLU H H 0.512 0.665 -0.064 1.00 . A A . 18 GLU H 1 1 11 5104 1 1 18 GLU HA H 0.923 2.500 -2.351 1.00 . A A . 18 GLU HA 1 1 11 5105 1 1 18 GLU HB2 H -0.015 -0.357 -2.285 1.00 . A A . 18 GLU HB2 1 1 11 5106 1 1 18 GLU HB3 H 0.289 0.633 -3.715 1.00 . A A . 18 GLU HB3 1 1 11 5107 1 1 18 GLU HG2 H 2.660 0.869 -2.269 1.00 . A A . 18 GLU HG2 1 1 11 5108 1 1 18 GLU HG3 H 2.122 -0.797 -1.976 1.00 . A A . 18 GLU HG3 1 1 11 5109 1 1 18 GLU N N 0.640 1.587 -0.486 1.00 . A A . 18 GLU N 1 1 11 5110 1 1 18 GLU O O -1.615 2.132 -3.313 1.00 . A A . 18 GLU O 1 1 11 5111 1 1 18 GLU OE1 O 2.399 -1.548 -4.400 1.00 . A A . 18 GLU OE1 1 1 11 5112 1 1 18 GLU OE2 O 3.168 0.477 -4.760 1.00 . A A . 18 GLU OE2 1 1 11 5113 1 1 19 ARG C C -4.288 2.772 -1.635 1.00 . A A . 19 ARG C 1 1 11 5114 1 1 19 ARG CA C -3.086 3.616 -1.220 1.00 . A A . 19 ARG CA 1 1 11 5115 1 1 19 ARG CB C -2.930 4.925 -1.984 1.00 . A A . 19 ARG CB 1 1 11 5116 1 1 19 ARG CD C -2.460 6.241 -4.196 1.00 . A A . 19 ARG CD 1 1 11 5117 1 1 19 ARG CG C -2.421 4.908 -3.433 1.00 . A A . 19 ARG CG 1 1 11 5118 1 1 19 ARG CZ C -0.457 5.766 -5.669 1.00 . A A . 19 ARG CZ 1 1 11 5119 1 1 19 ARG H H -1.252 3.052 -0.363 1.00 . A A . 19 ARG H 1 1 11 5120 1 1 19 ARG HA H -3.320 3.910 -0.182 1.00 . A A . 19 ARG HA 1 1 11 5121 1 1 19 ARG HB2 H -3.847 5.481 -1.885 1.00 . A A . 19 ARG HB2 1 1 11 5122 1 1 19 ARG HB3 H -2.151 5.390 -1.431 1.00 . A A . 19 ARG HB3 1 1 11 5123 1 1 19 ARG HD2 H -3.274 6.208 -4.922 1.00 . A A . 19 ARG HD2 1 1 11 5124 1 1 19 ARG HD3 H -2.680 7.046 -3.499 1.00 . A A . 19 ARG HD3 1 1 11 5125 1 1 19 ARG HE H -0.805 7.466 -4.733 1.00 . A A . 19 ARG HE 1 1 11 5126 1 1 19 ARG HG2 H -1.377 4.603 -3.378 1.00 . A A . 19 ARG HG2 1 1 11 5127 1 1 19 ARG HG3 H -2.973 4.178 -4.016 1.00 . A A . 19 ARG HG3 1 1 11 5128 1 1 19 ARG HH11 H -1.615 4.153 -5.537 1.00 . A A . 19 ARG HH11 1 1 11 5129 1 1 19 ARG HH12 H -0.155 3.937 -6.444 1.00 . A A . 19 ARG HH12 1 1 11 5130 1 1 19 ARG HH21 H 0.945 7.155 -5.958 1.00 . A A . 19 ARG HH21 1 1 11 5131 1 1 19 ARG HH22 H 1.238 5.625 -6.754 1.00 . A A . 19 ARG HH22 1 1 11 5132 1 1 19 ARG N N -1.777 2.927 -1.200 1.00 . A A . 19 ARG N 1 1 11 5133 1 1 19 ARG NE N -1.186 6.551 -4.891 1.00 . A A . 19 ARG NE 1 1 11 5134 1 1 19 ARG NH1 N -0.803 4.549 -5.962 1.00 . A A . 19 ARG NH1 1 1 11 5135 1 1 19 ARG NH2 N 0.660 6.208 -6.159 1.00 . A A . 19 ARG NH2 1 1 11 5136 1 1 19 ARG O O -4.774 2.877 -2.784 1.00 . A A . 19 ARG O 1 1 11 5137 1 1 19 ARG OXT O -4.714 1.966 -0.798 1.00 . A A . 19 ARG OXT 1 1 11 5138 2 2 1 DT C1' C 8.750 7.686 6.940 1.00 . B B . 20 DT C1' 1 1 11 5139 2 2 1 DT C2 C 11.031 7.000 6.272 1.00 . B B . 20 DT C2 1 1 11 5140 2 2 1 DT C2' C 7.662 7.084 6.062 1.00 . B B . 20 DT C2' 1 1 11 5141 2 2 1 DT C3' C 6.457 7.940 6.413 1.00 . B B . 20 DT C3' 1 1 11 5142 2 2 1 DT C4 C 12.137 5.031 7.213 1.00 . B B . 20 DT C4 1 1 11 5143 2 2 1 DT C4' C 6.759 8.380 7.855 1.00 . B B . 20 DT C4' 1 1 11 5144 2 2 1 DT C5 C 10.936 4.830 8.029 1.00 . B B . 20 DT C5 1 1 11 5145 2 2 1 DT C5' C 5.748 7.818 8.867 1.00 . B B . 20 DT C5' 1 1 11 5146 2 2 1 DT C6 C 9.873 5.675 7.925 1.00 . B B . 20 DT C6 1 1 11 5147 2 2 1 DT C7 C 10.872 3.679 9.021 1.00 . B B . 20 DT C7 1 1 11 5148 2 2 1 DT H1' H 9.068 8.635 6.495 1.00 . B B . 20 DT H1' 1 1 11 5149 2 2 1 DT H2' H 7.468 6.048 6.346 1.00 . B B . 20 DT H2' 1 1 11 5150 2 2 1 DT H2'' H 7.920 7.159 5.008 1.00 . B B . 20 DT H2'' 1 1 11 5151 2 2 1 DT H3 H 12.841 6.243 5.712 1.00 . B B . 20 DT H3 1 1 11 5152 2 2 1 DT H3' H 5.554 7.335 6.363 1.00 . B B . 20 DT H3' 1 1 11 5153 2 2 1 DT H4' H 6.714 9.471 7.899 1.00 . B B . 20 DT H4' 1 1 11 5154 2 2 1 DT H5' H 5.935 8.271 9.842 1.00 . B B . 20 DT H5' 1 1 11 5155 2 2 1 DT H5'' H 4.742 8.097 8.545 1.00 . B B . 20 DT H5'' 1 1 11 5156 2 2 1 DT H6 H 8.989 5.521 8.537 1.00 . B B . 20 DT H6 1 1 11 5157 2 2 1 DT H71 H 11.702 3.764 9.723 1.00 . B B . 20 DT H71 1 1 11 5158 2 2 1 DT H72 H 10.961 2.734 8.485 1.00 . B B . 20 DT H72 1 1 11 5159 2 2 1 DT H73 H 9.934 3.693 9.576 1.00 . B B . 20 DT H73 1 1 11 5160 2 2 1 DT HO5' H 5.019 6.020 9.346 1.00 . B B . 20 DT HO5' 1 1 11 5161 2 2 1 DT N1 N 9.910 6.760 7.074 1.00 . B B . 20 DT N1 1 1 11 5162 2 2 1 DT N3 N 12.073 6.105 6.354 1.00 . B B . 20 DT N3 1 1 11 5163 2 2 1 DT O2 O 11.141 7.983 5.539 1.00 . B B . 20 DT O2 1 1 11 5164 2 2 1 DT O3' O 6.406 9.055 5.531 1.00 . B B . 20 DT O3' 1 1 11 5165 2 2 1 DT O4 O 13.174 4.360 7.240 1.00 . B B . 20 DT O4 1 1 11 5166 2 2 1 DT O4' O 8.089 7.957 8.163 1.00 . B B . 20 DT O4' 1 1 11 5167 2 2 1 DT O5' O 5.843 6.402 8.963 1.00 . B B . 20 DT O5' 1 1 11 5168 2 2 2 DA C1' C 5.852 7.689 0.368 1.00 . B B . 21 DA C1' 1 1 11 5169 2 2 2 DA C2 C 9.563 5.739 1.768 1.00 . B B . 21 DA C2 1 1 11 5170 2 2 2 DA C2' C 4.347 7.763 0.083 1.00 . B B . 21 DA C2' 1 1 11 5171 2 2 2 DA C3' C 3.853 8.894 0.972 1.00 . B B . 21 DA C3' 1 1 11 5172 2 2 2 DA C4 C 7.382 6.229 1.818 1.00 . B B . 21 DA C4 1 1 11 5173 2 2 2 DA C4' C 5.110 9.767 1.115 1.00 . B B . 21 DA C4' 1 1 11 5174 2 2 2 DA C5 C 7.163 5.473 2.939 1.00 . B B . 21 DA C5 1 1 11 5175 2 2 2 DA C5' C 5.271 10.356 2.520 1.00 . B B . 21 DA C5' 1 1 11 5176 2 2 2 DA C6 C 8.310 4.815 3.431 1.00 . B B . 21 DA C6 1 1 11 5177 2 2 2 DA C8 C 5.277 6.259 2.404 1.00 . B B . 21 DA C8 1 1 11 5178 2 2 2 DA H1' H 6.389 7.359 -0.526 1.00 . B B . 21 DA H1' 1 1 11 5179 2 2 2 DA H2 H 10.540 5.840 1.314 1.00 . B B . 21 DA H2 1 1 11 5180 2 2 2 DA H2' H 3.836 6.828 0.291 1.00 . B B . 21 DA H2' 1 1 11 5181 2 2 2 DA H2'' H 4.168 8.002 -0.946 1.00 . B B . 21 DA H2'' 1 1 11 5182 2 2 2 DA H3' H 3.573 8.469 1.929 1.00 . B B . 21 DA H3' 1 1 11 5183 2 2 2 DA H4' H 5.035 10.592 0.404 1.00 . B B . 21 DA H4' 1 1 11 5184 2 2 2 DA H5' H 6.267 10.788 2.623 1.00 . B B . 21 DA H5' 1 1 11 5185 2 2 2 DA H5'' H 4.547 11.164 2.627 1.00 . B B . 21 DA H5'' 1 1 11 5186 2 2 2 DA H61 H 9.147 3.524 4.735 1.00 . B B . 21 DA H61 1 1 11 5187 2 2 2 DA H62 H 7.410 3.813 4.905 1.00 . B B . 21 DA H62 1 1 11 5188 2 2 2 DA H8 H 4.222 6.478 2.336 1.00 . B B . 21 DA H8 1 1 11 5189 2 2 2 DA N1 N 9.501 4.964 2.846 1.00 . B B . 21 DA N1 1 1 11 5190 2 2 2 DA N3 N 8.571 6.400 1.167 1.00 . B B . 21 DA N3 1 1 11 5191 2 2 2 DA N6 N 8.297 4.002 4.469 1.00 . B B . 21 DA N6 1 1 11 5192 2 2 2 DA N7 N 5.819 5.511 3.327 1.00 . B B . 21 DA N7 1 1 11 5193 2 2 2 DA N9 N 6.156 6.771 1.488 1.00 . B B . 21 DA N9 1 1 11 5194 2 2 2 DA O3' O 2.751 9.580 0.398 1.00 . B B . 21 DA O3' 1 1 11 5195 2 2 2 DA O4' O 6.253 8.992 0.757 1.00 . B B . 21 DA O4' 1 1 11 5196 2 2 2 DA O5' O 5.043 9.368 3.529 1.00 . B B . 21 DA O5' 1 1 11 5197 2 2 2 DA OP1 O 5.150 11.185 5.229 1.00 . B B . 21 DA OP1 1 1 11 5198 2 2 2 DA OP2 O 3.854 9.034 5.658 1.00 . B B . 21 DA OP2 1 1 11 5199 2 2 2 DA P P 5.026 9.722 5.074 1.00 . B B . 21 DA P 1 1 11 5200 2 2 3 DC C1' C -2.026 7.125 0.836 1.00 . B B . 22 DC C1' 1 1 11 5201 2 2 3 DC C2 C -0.996 7.995 -1.296 1.00 . B B . 22 DC C2 1 1 11 5202 2 2 3 DC C2' C -1.746 6.750 2.304 1.00 . B B . 22 DC C2' 1 1 11 5203 2 2 3 DC C3' C -1.455 8.089 3.020 1.00 . B B . 22 DC C3' 1 1 11 5204 2 2 3 DC C4 C 1.115 7.429 -1.977 1.00 . B B . 22 DC C4 1 1 11 5205 2 2 3 DC C4' C -1.976 9.117 2.008 1.00 . B B . 22 DC C4' 1 1 11 5206 2 2 3 DC C5 C 1.260 6.516 -0.906 1.00 . B B . 22 DC C5 1 1 11 5207 2 2 3 DC C5' C -0.904 10.074 1.463 1.00 . B B . 22 DC C5' 1 1 11 5208 2 2 3 DC C6 C 0.249 6.413 -0.010 1.00 . B B . 22 DC C6 1 1 11 5209 2 2 3 DC H1' H -2.758 6.425 0.427 1.00 . B B . 22 DC H1' 1 1 11 5210 2 2 3 DC H2' H -0.942 6.020 2.428 1.00 . B B . 22 DC H2' 1 1 11 5211 2 2 3 DC H2'' H -2.663 6.301 2.691 1.00 . B B . 22 DC H2'' 1 1 11 5212 2 2 3 DC H3' H -0.388 8.221 3.181 1.00 . B B . 22 DC H3' 1 1 11 5213 2 2 3 DC H4' H -2.720 9.741 2.499 1.00 . B B . 22 DC H4' 1 1 11 5214 2 2 3 DC H41 H 1.910 8.182 -3.646 1.00 . B B . 22 DC H41 1 1 11 5215 2 2 3 DC H42 H 2.914 7.031 -2.761 1.00 . B B . 22 DC H42 1 1 11 5216 2 2 3 DC H5 H 2.133 5.895 -0.810 1.00 . B B . 22 DC H5 1 1 11 5217 2 2 3 DC H5' H -1.259 10.530 0.539 1.00 . B B . 22 DC H5' 1 1 11 5218 2 2 3 DC H5'' H -0.789 10.863 2.203 1.00 . B B . 22 DC H5'' 1 1 11 5219 2 2 3 DC H6 H 0.331 5.685 0.784 1.00 . B B . 22 DC H6 1 1 11 5220 2 2 3 DC N1 N -0.869 7.207 -0.130 1.00 . B B . 22 DC N1 1 1 11 5221 2 2 3 DC N3 N 0.015 8.114 -2.189 1.00 . B B . 22 DC N3 1 1 11 5222 2 2 3 DC N4 N 2.051 7.559 -2.869 1.00 . B B . 22 DC N4 1 1 11 5223 2 2 3 DC O2 O -2.044 8.562 -1.616 1.00 . B B . 22 DC O2 1 1 11 5224 2 2 3 DC O3' O -2.189 8.317 4.217 1.00 . B B . 22 DC O3' 1 1 11 5225 2 2 3 DC O4' O -2.644 8.389 0.994 1.00 . B B . 22 DC O4' 1 1 11 5226 2 2 3 DC O5' O 0.365 9.475 1.247 1.00 . B B . 22 DC O5' 1 1 11 5227 2 2 3 DC OP1 O 1.407 11.650 0.642 1.00 . B B . 22 DC OP1 1 1 11 5228 2 2 3 DC OP2 O 2.112 10.364 2.725 1.00 . B B . 22 DC OP2 1 1 11 5229 2 2 3 DC P P 1.684 10.355 1.308 1.00 . B B . 22 DC P 1 1 11 5230 2 2 4 DG C1' C -0.849 3.202 4.789 1.00 . B B . 23 DG C1' 1 1 11 5231 2 2 4 DG C2 C 2.253 6.436 4.482 1.00 . B B . 23 DG C2 1 1 11 5232 2 2 4 DG C2' C -1.724 2.462 5.814 1.00 . B B . 23 DG C2' 1 1 11 5233 2 2 4 DG C3' C -2.875 3.396 6.160 1.00 . B B . 23 DG C3' 1 1 11 5234 2 2 4 DG C4 C 1.407 4.466 5.150 1.00 . B B . 23 DG C4 1 1 11 5235 2 2 4 DG C4' C -2.791 4.464 5.069 1.00 . B B . 23 DG C4' 1 1 11 5236 2 2 4 DG C5 C 2.508 4.180 5.940 1.00 . B B . 23 DG C5 1 1 11 5237 2 2 4 DG C5' C -3.013 5.877 5.622 1.00 . B B . 23 DG C5' 1 1 11 5238 2 2 4 DG C6 C 3.610 5.100 5.955 1.00 . B B . 23 DG C6 1 1 11 5239 2 2 4 DG C8 C 1.215 2.526 6.117 1.00 . B B . 23 DG C8 1 1 11 5240 2 2 4 DG H1 H 4.062 6.961 5.249 1.00 . B B . 23 DG H1 1 1 11 5241 2 2 4 DG H1' H -0.799 2.608 3.883 1.00 . B B . 23 DG H1' 1 1 11 5242 2 2 4 DG H2' H -1.206 2.233 6.740 1.00 . B B . 23 DG H2' 1 1 11 5243 2 2 4 DG H2'' H -2.056 1.516 5.375 1.00 . B B . 23 DG H2'' 1 1 11 5244 2 2 4 DG H21 H 2.945 8.228 3.899 1.00 . B B . 23 DG H21 1 1 11 5245 2 2 4 DG H22 H 1.420 7.693 3.191 1.00 . B B . 23 DG H22 1 1 11 5246 2 2 4 DG H3' H -2.673 3.861 7.124 1.00 . B B . 23 DG H3' 1 1 11 5247 2 2 4 DG H4' H -3.549 4.252 4.319 1.00 . B B . 23 DG H4' 1 1 11 5248 2 2 4 DG H5' H -3.547 6.437 4.854 1.00 . B B . 23 DG H5' 1 1 11 5249 2 2 4 DG H5'' H -3.657 5.837 6.499 1.00 . B B . 23 DG H5'' 1 1 11 5250 2 2 4 DG H8 H 0.817 1.558 6.375 1.00 . B B . 23 DG H8 1 1 11 5251 2 2 4 DG N1 N 3.361 6.243 5.229 1.00 . B B . 23 DG N1 1 1 11 5252 2 2 4 DG N2 N 2.214 7.536 3.787 1.00 . B B . 23 DG N2 1 1 11 5253 2 2 4 DG N3 N 1.258 5.562 4.343 1.00 . B B . 23 DG N3 1 1 11 5254 2 2 4 DG N7 N 2.362 2.942 6.558 1.00 . B B . 23 DG N7 1 1 11 5255 2 2 4 DG N9 N 0.528 3.407 5.324 1.00 . B B . 23 DG N9 1 1 11 5256 2 2 4 DG O3' O -4.061 2.606 6.203 1.00 . B B . 23 DG O3' 1 1 11 5257 2 2 4 DG O4' O -1.516 4.393 4.445 1.00 . B B . 23 DG O4' 1 1 11 5258 2 2 4 DG O5' O -1.781 6.528 5.951 1.00 . B B . 23 DG O5' 1 1 11 5259 2 2 4 DG O6 O 4.704 4.992 6.506 1.00 . B B . 23 DG O6 1 1 11 5260 2 2 4 DG OP1 O -2.521 8.763 6.626 1.00 . B B . 23 DG OP1 1 1 11 5261 2 2 4 DG OP2 O -0.155 8.438 5.725 1.00 . B B . 23 DG OP2 1 1 11 5262 2 2 4 DG P P -1.595 8.085 5.690 1.00 . B B . 23 DG P 1 1 11 5263 2 2 5 DC C1' C -6.146 4.639 1.204 1.00 . B B . 24 DC C1' 1 1 11 5264 2 2 5 DC C2 C -7.335 3.017 -0.264 1.00 . B B . 24 DC C2 1 1 11 5265 2 2 5 DC C2' C -7.153 5.763 1.142 1.00 . B B . 24 DC C2' 1 1 11 5266 2 2 5 DC C3' C -7.627 5.889 2.571 1.00 . B B . 24 DC C3' 1 1 11 5267 2 2 5 DC C4 C -8.265 1.077 0.497 1.00 . B B . 24 DC C4 1 1 11 5268 2 2 5 DC C4' C -6.297 5.696 3.311 1.00 . B B . 24 DC C4' 1 1 11 5269 2 2 5 DC C5 C -7.918 1.372 1.842 1.00 . B B . 24 DC C5 1 1 11 5270 2 2 5 DC C5' C -6.406 5.164 4.763 1.00 . B B . 24 DC C5' 1 1 11 5271 2 2 5 DC C6 C -7.209 2.509 2.071 1.00 . B B . 24 DC C6 1 1 11 5272 2 2 5 DC H1' H -5.431 4.732 0.382 1.00 . B B . 24 DC H1' 1 1 11 5273 2 2 5 DC H2' H -7.933 5.536 0.429 1.00 . B B . 24 DC H2' 1 1 11 5274 2 2 5 DC H2'' H -6.679 6.687 0.871 1.00 . B B . 24 DC H2'' 1 1 11 5275 2 2 5 DC H3' H -8.270 5.056 2.809 1.00 . B B . 24 DC H3' 1 1 11 5276 2 2 5 DC H4' H -5.807 6.669 3.353 1.00 . B B . 24 DC H4' 1 1 11 5277 2 2 5 DC H41 H -9.022 -0.189 -0.807 1.00 . B B . 24 DC H41 1 1 11 5278 2 2 5 DC H42 H -9.248 -0.648 0.873 1.00 . B B . 24 DC H42 1 1 11 5279 2 2 5 DC H5 H -8.177 0.721 2.657 1.00 . B B . 24 DC H5 1 1 11 5280 2 2 5 DC H5' H -5.848 5.845 5.403 1.00 . B B . 24 DC H5' 1 1 11 5281 2 2 5 DC H5'' H -7.447 5.192 5.087 1.00 . B B . 24 DC H5'' 1 1 11 5282 2 2 5 DC H6 H -6.902 2.772 3.072 1.00 . B B . 24 DC H6 1 1 11 5283 2 2 5 DC N1 N -6.875 3.335 1.026 1.00 . B B . 24 DC N1 1 1 11 5284 2 2 5 DC N3 N -8.008 1.871 -0.514 1.00 . B B . 24 DC N3 1 1 11 5285 2 2 5 DC N4 N -8.912 -0.004 0.175 1.00 . B B . 24 DC N4 1 1 11 5286 2 2 5 DC O2 O -7.219 3.802 -1.209 1.00 . B B . 24 DC O2 1 1 11 5287 2 2 5 DC O3' O -8.292 7.135 2.772 1.00 . B B . 24 DC O3' 1 1 11 5288 2 2 5 DC O4' O -5.511 4.857 2.461 1.00 . B B . 24 DC O4' 1 1 11 5289 2 2 5 DC O5' O -5.892 3.844 4.932 1.00 . B B . 24 DC O5' 1 1 11 5290 2 2 5 DC OP1 O -5.506 4.254 7.403 1.00 . B B . 24 DC OP1 1 1 11 5291 2 2 5 DC OP2 O -6.450 2.049 6.574 1.00 . B B . 24 DC OP2 1 1 11 5292 2 2 5 DC P P -5.543 3.199 6.366 1.00 . B B . 24 DC P 1 1 11 5293 2 2 6 DC C1' C -12.502 2.784 4.177 1.00 . B B . 25 DC C1' 1 1 11 5294 2 2 6 DC C2 C -14.723 1.639 4.082 1.00 . B B . 25 DC C2 1 1 11 5295 2 2 6 DC C2' C -11.117 2.298 3.720 1.00 . B B . 25 DC C2' 1 1 11 5296 2 2 6 DC C3' C -10.178 3.415 4.183 1.00 . B B . 25 DC C3' 1 1 11 5297 2 2 6 DC C4 C -15.677 1.009 2.094 1.00 . B B . 25 DC C4 1 1 11 5298 2 2 6 DC C4' C -11.147 4.526 4.622 1.00 . B B . 25 DC C4' 1 1 11 5299 2 2 6 DC C5 C -14.659 1.647 1.339 1.00 . B B . 25 DC C5 1 1 11 5300 2 2 6 DC C5' C -10.712 5.938 4.236 1.00 . B B . 25 DC C5' 1 1 11 5301 2 2 6 DC C6 C -13.666 2.273 2.022 1.00 . B B . 25 DC C6 1 1 11 5302 2 2 6 DC H1' H -12.622 2.517 5.233 1.00 . B B . 25 DC H1' 1 1 11 5303 2 2 6 DC H2' H -11.055 2.211 2.636 1.00 . B B . 25 DC H2' 1 1 11 5304 2 2 6 DC H2'' H -10.874 1.337 4.176 1.00 . B B . 25 DC H2'' 1 1 11 5305 2 2 6 DC H3' H -9.534 3.754 3.354 1.00 . B B . 25 DC H3' 1 1 11 5306 2 2 6 DC H4' H -11.226 4.494 5.709 1.00 . B B . 25 DC H4' 1 1 11 5307 2 2 6 DC H41 H -17.235 -0.221 2.072 1.00 . B B . 25 DC H41 1 1 11 5308 2 2 6 DC H42 H -16.438 0.055 0.540 1.00 . B B . 25 DC H42 1 1 11 5309 2 2 6 DC H5 H -14.649 1.639 0.260 1.00 . B B . 25 DC H5 1 1 11 5310 2 2 6 DC H5' H -11.455 6.649 4.594 1.00 . B B . 25 DC H5' 1 1 11 5311 2 2 6 DC H5'' H -9.768 6.149 4.741 1.00 . B B . 25 DC H5'' 1 1 11 5312 2 2 6 DC H6 H -12.872 2.783 1.487 1.00 . B B . 25 DC H6 1 1 11 5313 2 2 6 DC HO3' H -8.967 2.124 5.064 1.00 . B B . 25 DC HO3' 1 1 11 5314 2 2 6 DC N1 N -13.660 2.249 3.397 1.00 . B B . 25 DC N1 1 1 11 5315 2 2 6 DC N3 N -15.736 1.035 3.411 1.00 . B B . 25 DC N3 1 1 11 5316 2 2 6 DC N4 N -16.601 0.309 1.506 1.00 . B B . 25 DC N4 1 1 11 5317 2 2 6 DC O2 O -14.772 1.581 5.316 1.00 . B B . 25 DC O2 1 1 11 5318 2 2 6 DC O3' O -9.421 2.960 5.298 1.00 . B B . 25 DC O3' 1 1 11 5319 2 2 6 DC O4' O -12.415 4.190 4.080 1.00 . B B . 25 DC O4' 1 1 11 5320 2 2 6 DC O5' O -10.548 6.081 2.832 1.00 . B B . 25 DC O5' 1 1 11 5321 2 2 6 DC OP1 O -9.787 7.241 0.760 1.00 . B B . 25 DC OP1 1 1 11 5322 2 2 6 DC OP2 O -10.334 8.581 2.849 1.00 . B B . 25 DC OP2 1 1 11 5323 2 2 6 DC P P -9.792 7.348 2.234 1.00 . B B . 25 DC P 1 1 11 5324 3 3 1 ZN ZN ZN 0.286 -3.712 -0.300 1.00 . C A . 26 ZN ZN 1 1 12 5325 1 1 1 LYS C C -3.693 -11.156 6.084 1.00 . A A . 1 LYS C 1 1 12 5326 1 1 1 LYS CA C -5.046 -11.337 6.784 1.00 . A A . 1 LYS CA 1 1 12 5327 1 1 1 LYS CB C -5.687 -12.681 6.397 1.00 . A A . 1 LYS CB 1 1 12 5328 1 1 1 LYS CD C -8.282 -12.685 6.204 1.00 . A A . 1 LYS CD 1 1 12 5329 1 1 1 LYS CE C -8.449 -13.688 5.059 1.00 . A A . 1 LYS CE 1 1 12 5330 1 1 1 LYS CG C -7.044 -12.988 7.068 1.00 . A A . 1 LYS CG 1 1 12 5331 1 1 1 LYS H1 H -5.486 -9.303 6.865 1.00 . A A . 1 LYS H1 1 1 12 5332 1 1 1 LYS H2 H -6.789 -10.251 7.112 1.00 . A A . 1 LYS H2 1 1 12 5333 1 1 1 LYS H3 H -6.195 -10.068 5.598 1.00 . A A . 1 LYS H3 1 1 12 5334 1 1 1 LYS HA H -4.820 -11.371 7.847 1.00 . A A . 1 LYS HA 1 1 12 5335 1 1 1 LYS HB2 H -5.781 -12.762 5.314 1.00 . A A . 1 LYS HB2 1 1 12 5336 1 1 1 LYS HB3 H -4.990 -13.464 6.708 1.00 . A A . 1 LYS HB3 1 1 12 5337 1 1 1 LYS HD2 H -9.168 -12.736 6.839 1.00 . A A . 1 LYS HD2 1 1 12 5338 1 1 1 LYS HD3 H -8.211 -11.676 5.796 1.00 . A A . 1 LYS HD3 1 1 12 5339 1 1 1 LYS HE2 H -7.497 -13.778 4.530 1.00 . A A . 1 LYS HE2 1 1 12 5340 1 1 1 LYS HE3 H -8.688 -14.668 5.481 1.00 . A A . 1 LYS HE3 1 1 12 5341 1 1 1 LYS HG2 H -7.071 -14.042 7.336 1.00 . A A . 1 LYS HG2 1 1 12 5342 1 1 1 LYS HG3 H -7.111 -12.422 7.996 1.00 . A A . 1 LYS HG3 1 1 12 5343 1 1 1 LYS HZ1 H -10.434 -13.341 4.510 1.00 . A A . 1 LYS HZ1 1 1 12 5344 1 1 1 LYS HZ2 H -9.510 -13.884 3.294 1.00 . A A . 1 LYS HZ2 1 1 12 5345 1 1 1 LYS HZ3 H -9.388 -12.316 3.779 1.00 . A A . 1 LYS HZ3 1 1 12 5346 1 1 1 LYS N N -5.937 -10.153 6.572 1.00 . A A . 1 LYS N 1 1 12 5347 1 1 1 LYS NZ N -9.506 -13.272 4.106 1.00 . A A . 1 LYS NZ 1 1 12 5348 1 1 1 LYS O O -2.659 -11.377 6.713 1.00 . A A . 1 LYS O 1 1 12 5349 1 1 2 GLY C C -2.082 -8.973 4.194 1.00 . A A . 2 GLY C 1 1 12 5350 1 1 2 GLY CA C -2.426 -10.463 4.070 1.00 . A A . 2 GLY CA 1 1 12 5351 1 1 2 GLY H H -4.535 -10.685 4.291 1.00 . A A . 2 GLY H 1 1 12 5352 1 1 2 GLY HA2 H -1.585 -11.024 4.473 1.00 . A A . 2 GLY HA2 1 1 12 5353 1 1 2 GLY HA3 H -2.521 -10.745 3.020 1.00 . A A . 2 GLY HA3 1 1 12 5354 1 1 2 GLY N N -3.662 -10.802 4.791 1.00 . A A . 2 GLY N 1 1 12 5355 1 1 2 GLY O O -1.937 -8.460 5.310 1.00 . A A . 2 GLY O 1 1 12 5356 1 1 3 CYS C C -3.220 -6.192 3.375 1.00 . A A . 3 CYS C 1 1 12 5357 1 1 3 CYS CA C -1.906 -6.844 2.913 1.00 . A A . 3 CYS CA 1 1 12 5358 1 1 3 CYS CB C -1.642 -6.484 1.440 1.00 . A A . 3 CYS CB 1 1 12 5359 1 1 3 CYS H H -2.027 -8.828 2.193 1.00 . A A . 3 CYS H 1 1 12 5360 1 1 3 CYS HA H -1.072 -6.478 3.514 1.00 . A A . 3 CYS HA 1 1 12 5361 1 1 3 CYS HB2 H -0.951 -7.207 1.009 1.00 . A A . 3 CYS HB2 1 1 12 5362 1 1 3 CYS HB3 H -2.587 -6.585 0.910 1.00 . A A . 3 CYS HB3 1 1 12 5363 1 1 3 CYS N N -1.969 -8.297 3.048 1.00 . A A . 3 CYS N 1 1 12 5364 1 1 3 CYS O O -4.254 -6.835 3.567 1.00 . A A . 3 CYS O 1 1 12 5365 1 1 3 CYS SG S -1.014 -4.773 1.253 1.00 . A A . 3 CYS SG 1 1 12 5366 1 1 4 TRP C C -4.982 -3.646 2.283 1.00 . A A . 4 TRP C 1 1 12 5367 1 1 4 TRP CA C -4.298 -3.974 3.618 1.00 . A A . 4 TRP CA 1 1 12 5368 1 1 4 TRP CB C -3.713 -2.740 4.296 1.00 . A A . 4 TRP CB 1 1 12 5369 1 1 4 TRP CD1 C -5.590 -1.014 4.399 1.00 . A A . 4 TRP CD1 1 1 12 5370 1 1 4 TRP CD2 C -3.671 -0.295 3.484 1.00 . A A . 4 TRP CD2 1 1 12 5371 1 1 4 TRP CE2 C -4.566 0.803 3.473 1.00 . A A . 4 TRP CE2 1 1 12 5372 1 1 4 TRP CE3 C -2.364 -0.092 3.010 1.00 . A A . 4 TRP CE3 1 1 12 5373 1 1 4 TRP CG C -4.347 -1.430 4.063 1.00 . A A . 4 TRP CG 1 1 12 5374 1 1 4 TRP CH2 C -2.882 2.215 2.453 1.00 . A A . 4 TRP CH2 1 1 12 5375 1 1 4 TRP CZ2 C -4.175 2.046 2.978 1.00 . A A . 4 TRP CZ2 1 1 12 5376 1 1 4 TRP CZ3 C -1.981 1.143 2.490 1.00 . A A . 4 TRP CZ3 1 1 12 5377 1 1 4 TRP H H -2.277 -4.483 3.174 1.00 . A A . 4 TRP H 1 1 12 5378 1 1 4 TRP HA H -5.048 -4.419 4.276 1.00 . A A . 4 TRP HA 1 1 12 5379 1 1 4 TRP HB2 H -3.644 -2.867 5.359 1.00 . A A . 4 TRP HB2 1 1 12 5380 1 1 4 TRP HB3 H -2.680 -2.633 3.960 1.00 . A A . 4 TRP HB3 1 1 12 5381 1 1 4 TRP HD1 H -6.335 -1.620 4.904 1.00 . A A . 4 TRP HD1 1 1 12 5382 1 1 4 TRP HE1 H -6.573 0.865 4.204 1.00 . A A . 4 TRP HE1 1 1 12 5383 1 1 4 TRP HE3 H -1.654 -0.896 3.036 1.00 . A A . 4 TRP HE3 1 1 12 5384 1 1 4 TRP HH2 H -2.592 3.172 2.049 1.00 . A A . 4 TRP HH2 1 1 12 5385 1 1 4 TRP HZ2 H -4.872 2.854 3.027 1.00 . A A . 4 TRP HZ2 1 1 12 5386 1 1 4 TRP HZ3 H -0.982 1.227 2.132 1.00 . A A . 4 TRP HZ3 1 1 12 5387 1 1 4 TRP N N -3.170 -4.878 3.440 1.00 . A A . 4 TRP N 1 1 12 5388 1 1 4 TRP NE1 N -5.733 0.315 4.035 1.00 . A A . 4 TRP NE1 1 1 12 5389 1 1 4 TRP O O -6.207 -3.771 2.182 1.00 . A A . 4 TRP O 1 1 12 5390 1 1 5 LYS C C -4.390 -3.697 -1.236 1.00 . A A . 5 LYS C 1 1 12 5391 1 1 5 LYS CA C -4.731 -2.800 -0.043 1.00 . A A . 5 LYS CA 1 1 12 5392 1 1 5 LYS CB C -4.373 -1.312 -0.257 1.00 . A A . 5 LYS CB 1 1 12 5393 1 1 5 LYS CD C -3.109 -0.924 -2.505 1.00 . A A . 5 LYS CD 1 1 12 5394 1 1 5 LYS CE C -4.062 0.192 -2.954 1.00 . A A . 5 LYS CE 1 1 12 5395 1 1 5 LYS CG C -3.034 -0.999 -0.966 1.00 . A A . 5 LYS CG 1 1 12 5396 1 1 5 LYS H H -3.213 -3.197 1.431 1.00 . A A . 5 LYS H 1 1 12 5397 1 1 5 LYS HA H -5.820 -2.828 0.011 1.00 . A A . 5 LYS HA 1 1 12 5398 1 1 5 LYS HB2 H -5.191 -0.849 -0.804 1.00 . A A . 5 LYS HB2 1 1 12 5399 1 1 5 LYS HB3 H -4.356 -0.811 0.711 1.00 . A A . 5 LYS HB3 1 1 12 5400 1 1 5 LYS HD2 H -2.125 -0.729 -2.925 1.00 . A A . 5 LYS HD2 1 1 12 5401 1 1 5 LYS HD3 H -3.436 -1.883 -2.903 1.00 . A A . 5 LYS HD3 1 1 12 5402 1 1 5 LYS HE2 H -4.675 0.488 -2.103 1.00 . A A . 5 LYS HE2 1 1 12 5403 1 1 5 LYS HE3 H -3.513 1.124 -3.203 1.00 . A A . 5 LYS HE3 1 1 12 5404 1 1 5 LYS HG2 H -2.663 -0.040 -0.608 1.00 . A A . 5 LYS HG2 1 1 12 5405 1 1 5 LYS HG3 H -2.304 -1.757 -0.693 1.00 . A A . 5 LYS HG3 1 1 12 5406 1 1 5 LYS HZ1 H -5.842 0.224 -4.017 1.00 . A A . 5 LYS HZ1 1 1 12 5407 1 1 5 LYS HZ2 H -5.121 -1.272 -4.023 1.00 . A A . 5 LYS HZ2 1 1 12 5408 1 1 5 LYS HZ3 H -4.546 -0.080 -4.954 1.00 . A A . 5 LYS HZ3 1 1 12 5409 1 1 5 LYS N N -4.206 -3.265 1.256 1.00 . A A . 5 LYS N 1 1 12 5410 1 1 5 LYS NZ N -4.951 -0.268 -4.045 1.00 . A A . 5 LYS NZ 1 1 12 5411 1 1 5 LYS O O -5.188 -3.747 -2.171 1.00 . A A . 5 LYS O 1 1 12 5412 1 1 6 CYS C C -3.561 -6.501 -2.524 1.00 . A A . 6 CYS C 1 1 12 5413 1 1 6 CYS CA C -2.755 -5.193 -2.344 1.00 . A A . 6 CYS CA 1 1 12 5414 1 1 6 CYS CB C -1.256 -5.494 -2.129 1.00 . A A . 6 CYS CB 1 1 12 5415 1 1 6 CYS H H -2.653 -4.322 -0.405 1.00 . A A . 6 CYS H 1 1 12 5416 1 1 6 CYS HA H -2.857 -4.602 -3.256 1.00 . A A . 6 CYS HA 1 1 12 5417 1 1 6 CYS HB2 H -1.152 -6.222 -1.321 1.00 . A A . 6 CYS HB2 1 1 12 5418 1 1 6 CYS HB3 H -0.873 -5.952 -3.043 1.00 . A A . 6 CYS HB3 1 1 12 5419 1 1 6 CYS N N -3.254 -4.401 -1.212 1.00 . A A . 6 CYS N 1 1 12 5420 1 1 6 CYS O O -3.917 -6.890 -3.637 1.00 . A A . 6 CYS O 1 1 12 5421 1 1 6 CYS SG S -0.279 -4.008 -1.750 1.00 . A A . 6 CYS SG 1 1 12 5422 1 1 7 GLY C C -4.064 -9.662 -1.084 1.00 . A A . 7 GLY C 1 1 12 5423 1 1 7 GLY CA C -4.754 -8.304 -1.252 1.00 . A A . 7 GLY CA 1 1 12 5424 1 1 7 GLY H H -3.537 -6.721 -0.554 1.00 . A A . 7 GLY H 1 1 12 5425 1 1 7 GLY HA2 H -5.306 -8.131 -0.336 1.00 . A A . 7 GLY HA2 1 1 12 5426 1 1 7 GLY HA3 H -5.453 -8.363 -2.087 1.00 . A A . 7 GLY HA3 1 1 12 5427 1 1 7 GLY N N -3.869 -7.146 -1.397 1.00 . A A . 7 GLY N 1 1 12 5428 1 1 7 GLY O O -4.641 -10.697 -1.411 1.00 . A A . 7 GLY O 1 1 12 5429 1 1 8 LYS C C -0.983 -10.879 0.507 1.00 . A A . 8 LYS C 1 1 12 5430 1 1 8 LYS CA C -1.878 -10.812 -0.732 1.00 . A A . 8 LYS CA 1 1 12 5431 1 1 8 LYS CB C -0.990 -10.625 -1.977 1.00 . A A . 8 LYS CB 1 1 12 5432 1 1 8 LYS CD C -0.762 -9.817 -4.418 1.00 . A A . 8 LYS CD 1 1 12 5433 1 1 8 LYS CE C 0.017 -8.491 -4.398 1.00 . A A . 8 LYS CE 1 1 12 5434 1 1 8 LYS CG C -1.698 -10.059 -3.230 1.00 . A A . 8 LYS CG 1 1 12 5435 1 1 8 LYS H H -2.435 -8.805 -0.279 1.00 . A A . 8 LYS H 1 1 12 5436 1 1 8 LYS HA H -2.435 -11.746 -0.817 1.00 . A A . 8 LYS HA 1 1 12 5437 1 1 8 LYS HB2 H -0.189 -9.953 -1.689 1.00 . A A . 8 LYS HB2 1 1 12 5438 1 1 8 LYS HB3 H -0.539 -11.587 -2.232 1.00 . A A . 8 LYS HB3 1 1 12 5439 1 1 8 LYS HD2 H -0.069 -10.653 -4.504 1.00 . A A . 8 LYS HD2 1 1 12 5440 1 1 8 LYS HD3 H -1.382 -9.798 -5.312 1.00 . A A . 8 LYS HD3 1 1 12 5441 1 1 8 LYS HE2 H 0.623 -8.451 -5.308 1.00 . A A . 8 LYS HE2 1 1 12 5442 1 1 8 LYS HE3 H -0.688 -7.655 -4.444 1.00 . A A . 8 LYS HE3 1 1 12 5443 1 1 8 LYS HG2 H -2.466 -10.768 -3.535 1.00 . A A . 8 LYS HG2 1 1 12 5444 1 1 8 LYS HG3 H -2.179 -9.107 -3.011 1.00 . A A . 8 LYS HG3 1 1 12 5445 1 1 8 LYS HZ1 H 1.576 -7.596 -3.329 1.00 . A A . 8 LYS HZ1 1 1 12 5446 1 1 8 LYS HZ2 H 1.452 -9.200 -3.079 1.00 . A A . 8 LYS HZ2 1 1 12 5447 1 1 8 LYS HZ3 H 0.399 -8.178 -2.364 1.00 . A A . 8 LYS HZ3 1 1 12 5448 1 1 8 LYS N N -2.806 -9.674 -0.629 1.00 . A A . 8 LYS N 1 1 12 5449 1 1 8 LYS NZ N 0.908 -8.353 -3.225 1.00 . A A . 8 LYS NZ 1 1 12 5450 1 1 8 LYS O O -0.742 -9.844 1.118 1.00 . A A . 8 LYS O 1 1 12 5451 1 1 9 GLU C C 1.986 -11.624 1.597 1.00 . A A . 9 GLU C 1 1 12 5452 1 1 9 GLU CA C 0.570 -12.120 1.970 1.00 . A A . 9 GLU CA 1 1 12 5453 1 1 9 GLU CB C 0.590 -13.533 2.571 1.00 . A A . 9 GLU CB 1 1 12 5454 1 1 9 GLU CD C -0.529 -15.041 4.289 1.00 . A A . 9 GLU CD 1 1 12 5455 1 1 9 GLU CG C -0.717 -13.908 3.275 1.00 . A A . 9 GLU CG 1 1 12 5456 1 1 9 GLU H H -0.544 -12.840 0.276 1.00 . A A . 9 GLU H 1 1 12 5457 1 1 9 GLU HA H 0.244 -11.449 2.766 1.00 . A A . 9 GLU HA 1 1 12 5458 1 1 9 GLU HB2 H 0.782 -14.251 1.778 1.00 . A A . 9 GLU HB2 1 1 12 5459 1 1 9 GLU HB3 H 1.391 -13.580 3.307 1.00 . A A . 9 GLU HB3 1 1 12 5460 1 1 9 GLU HG2 H -1.089 -13.035 3.807 1.00 . A A . 9 GLU HG2 1 1 12 5461 1 1 9 GLU HG3 H -1.460 -14.188 2.527 1.00 . A A . 9 GLU HG3 1 1 12 5462 1 1 9 GLU N N -0.399 -12.022 0.857 1.00 . A A . 9 GLU N 1 1 12 5463 1 1 9 GLU O O 2.999 -12.259 1.917 1.00 . A A . 9 GLU O 1 1 12 5464 1 1 9 GLU OE1 O 0.400 -15.877 4.156 1.00 . A A . 9 GLU OE1 1 1 12 5465 1 1 9 GLU OE2 O -1.299 -15.071 5.283 1.00 . A A . 9 GLU OE2 1 1 12 5466 1 1 10 GLY C C 3.946 -9.017 1.594 1.00 . A A . 10 GLY C 1 1 12 5467 1 1 10 GLY CA C 3.337 -9.886 0.493 1.00 . A A . 10 GLY CA 1 1 12 5468 1 1 10 GLY H H 1.223 -9.972 0.717 1.00 . A A . 10 GLY H 1 1 12 5469 1 1 10 GLY HA2 H 4.054 -10.662 0.221 1.00 . A A . 10 GLY HA2 1 1 12 5470 1 1 10 GLY HA3 H 3.169 -9.258 -0.382 1.00 . A A . 10 GLY HA3 1 1 12 5471 1 1 10 GLY N N 2.072 -10.494 0.894 1.00 . A A . 10 GLY N 1 1 12 5472 1 1 10 GLY O O 5.164 -9.030 1.754 1.00 . A A . 10 GLY O 1 1 12 5473 1 1 11 HIS C C 2.331 -6.851 4.228 1.00 . A A . 11 HIS C 1 1 12 5474 1 1 11 HIS CA C 3.532 -7.362 3.399 1.00 . A A . 11 HIS CA 1 1 12 5475 1 1 11 HIS CB C 4.276 -6.170 2.760 1.00 . A A . 11 HIS CB 1 1 12 5476 1 1 11 HIS CD2 C 2.335 -4.845 1.751 1.00 . A A . 11 HIS CD2 1 1 12 5477 1 1 11 HIS CE1 C 2.958 -4.698 -0.339 1.00 . A A . 11 HIS CE1 1 1 12 5478 1 1 11 HIS CG C 3.518 -5.511 1.631 1.00 . A A . 11 HIS CG 1 1 12 5479 1 1 11 HIS H H 2.112 -8.352 2.188 1.00 . A A . 11 HIS H 1 1 12 5480 1 1 11 HIS HA H 4.202 -7.891 4.073 1.00 . A A . 11 HIS HA 1 1 12 5481 1 1 11 HIS HB2 H 4.455 -5.426 3.532 1.00 . A A . 11 HIS HB2 1 1 12 5482 1 1 11 HIS HB3 H 5.247 -6.499 2.393 1.00 . A A . 11 HIS HB3 1 1 12 5483 1 1 11 HIS HD1 H 4.729 -5.808 -0.116 1.00 . A A . 11 HIS HD1 1 1 12 5484 1 1 11 HIS HD2 H 1.861 -4.617 2.699 1.00 . A A . 11 HIS HD2 1 1 12 5485 1 1 11 HIS HE1 H 3.026 -4.391 -1.375 1.00 . A A . 11 HIS HE1 1 1 12 5486 1 1 11 HIS N N 3.111 -8.280 2.338 1.00 . A A . 11 HIS N 1 1 12 5487 1 1 11 HIS ND1 N 3.885 -5.422 0.308 1.00 . A A . 11 HIS ND1 1 1 12 5488 1 1 11 HIS NE2 N 1.937 -4.388 0.479 1.00 . A A . 11 HIS NE2 1 1 12 5489 1 1 11 HIS O O 1.192 -7.249 4.005 1.00 . A A . 11 HIS O 1 1 12 5490 1 1 12 GLN C C 1.705 -3.628 5.504 1.00 . A A . 12 GLN C 1 1 12 5491 1 1 12 GLN CA C 1.671 -5.089 5.923 1.00 . A A . 12 GLN CA 1 1 12 5492 1 1 12 GLN CB C 2.089 -5.234 7.394 1.00 . A A . 12 GLN CB 1 1 12 5493 1 1 12 GLN CD C 1.474 -5.904 9.721 1.00 . A A . 12 GLN CD 1 1 12 5494 1 1 12 GLN CG C 0.935 -5.593 8.330 1.00 . A A . 12 GLN CG 1 1 12 5495 1 1 12 GLN H H 3.582 -5.710 5.279 1.00 . A A . 12 GLN H 1 1 12 5496 1 1 12 GLN HA H 0.628 -5.362 5.774 1.00 . A A . 12 GLN HA 1 1 12 5497 1 1 12 GLN HB2 H 2.831 -6.021 7.496 1.00 . A A . 12 GLN HB2 1 1 12 5498 1 1 12 GLN HB3 H 2.584 -4.319 7.716 1.00 . A A . 12 GLN HB3 1 1 12 5499 1 1 12 GLN HE21 H 0.795 -4.174 10.509 1.00 . A A . 12 GLN HE21 1 1 12 5500 1 1 12 GLN HE22 H 1.751 -5.172 11.575 1.00 . A A . 12 GLN HE22 1 1 12 5501 1 1 12 GLN HG2 H 0.226 -4.766 8.377 1.00 . A A . 12 GLN HG2 1 1 12 5502 1 1 12 GLN HG3 H 0.420 -6.478 7.955 1.00 . A A . 12 GLN HG3 1 1 12 5503 1 1 12 GLN N N 2.599 -5.904 5.130 1.00 . A A . 12 GLN N 1 1 12 5504 1 1 12 GLN NE2 N 1.399 -4.973 10.639 1.00 . A A . 12 GLN NE2 1 1 12 5505 1 1 12 GLN O O 2.586 -3.208 4.762 1.00 . A A . 12 GLN O 1 1 12 5506 1 1 12 GLN OE1 O 2.012 -6.973 9.982 1.00 . A A . 12 GLN OE1 1 1 12 5507 1 1 13 MET C C 1.874 -0.617 5.679 1.00 . A A . 13 MET C 1 1 12 5508 1 1 13 MET CA C 0.572 -1.411 5.685 1.00 . A A . 13 MET CA 1 1 12 5509 1 1 13 MET CB C -0.388 -0.802 6.718 1.00 . A A . 13 MET CB 1 1 12 5510 1 1 13 MET CE C -3.093 -0.059 8.661 1.00 . A A . 13 MET CE 1 1 12 5511 1 1 13 MET CG C -1.765 -1.453 6.643 1.00 . A A . 13 MET CG 1 1 12 5512 1 1 13 MET H H 0.067 -3.259 6.611 1.00 . A A . 13 MET H 1 1 12 5513 1 1 13 MET HA H 0.133 -1.327 4.691 1.00 . A A . 13 MET HA 1 1 12 5514 1 1 13 MET HB2 H 0.018 -0.934 7.721 1.00 . A A . 13 MET HB2 1 1 12 5515 1 1 13 MET HB3 H -0.519 0.255 6.523 1.00 . A A . 13 MET HB3 1 1 12 5516 1 1 13 MET HE1 H -3.698 0.384 7.864 1.00 . A A . 13 MET HE1 1 1 12 5517 1 1 13 MET HE2 H -3.676 -0.079 9.582 1.00 . A A . 13 MET HE2 1 1 12 5518 1 1 13 MET HE3 H -2.196 0.536 8.814 1.00 . A A . 13 MET HE3 1 1 12 5519 1 1 13 MET HG2 H -2.384 -0.893 5.964 1.00 . A A . 13 MET HG2 1 1 12 5520 1 1 13 MET HG3 H -1.663 -2.394 6.135 1.00 . A A . 13 MET HG3 1 1 12 5521 1 1 13 MET N N 0.765 -2.829 6.018 1.00 . A A . 13 MET N 1 1 12 5522 1 1 13 MET O O 2.106 0.138 4.744 1.00 . A A . 13 MET O 1 1 12 5523 1 1 13 MET SD S -2.632 -1.751 8.212 1.00 . A A . 13 MET SD 1 1 12 5524 1 1 14 LYS C C 5.045 -0.455 5.775 1.00 . A A . 14 LYS C 1 1 12 5525 1 1 14 LYS CA C 4.024 -0.197 6.879 1.00 . A A . 14 LYS CA 1 1 12 5526 1 1 14 LYS CB C 4.562 -0.659 8.232 1.00 . A A . 14 LYS CB 1 1 12 5527 1 1 14 LYS CD C 3.769 -0.676 10.656 1.00 . A A . 14 LYS CD 1 1 12 5528 1 1 14 LYS CE C 2.528 -1.590 10.649 1.00 . A A . 14 LYS CE 1 1 12 5529 1 1 14 LYS CG C 3.931 0.153 9.375 1.00 . A A . 14 LYS CG 1 1 12 5530 1 1 14 LYS H H 2.438 -1.526 7.365 1.00 . A A . 14 LYS H 1 1 12 5531 1 1 14 LYS HA H 3.863 0.872 6.895 1.00 . A A . 14 LYS HA 1 1 12 5532 1 1 14 LYS HB2 H 4.366 -1.723 8.361 1.00 . A A . 14 LYS HB2 1 1 12 5533 1 1 14 LYS HB3 H 5.642 -0.531 8.262 1.00 . A A . 14 LYS HB3 1 1 12 5534 1 1 14 LYS HD2 H 4.652 -1.306 10.769 1.00 . A A . 14 LYS HD2 1 1 12 5535 1 1 14 LYS HD3 H 3.711 -0.010 11.523 1.00 . A A . 14 LYS HD3 1 1 12 5536 1 1 14 LYS HE2 H 2.528 -2.183 9.728 1.00 . A A . 14 LYS HE2 1 1 12 5537 1 1 14 LYS HE3 H 2.609 -2.295 11.491 1.00 . A A . 14 LYS HE3 1 1 12 5538 1 1 14 LYS HG2 H 4.577 1.002 9.597 1.00 . A A . 14 LYS HG2 1 1 12 5539 1 1 14 LYS HG3 H 2.959 0.548 9.087 1.00 . A A . 14 LYS HG3 1 1 12 5540 1 1 14 LYS HZ1 H 1.175 -0.398 11.696 1.00 . A A . 14 LYS HZ1 1 1 12 5541 1 1 14 LYS HZ2 H 0.445 -1.470 10.715 1.00 . A A . 14 LYS HZ2 1 1 12 5542 1 1 14 LYS HZ3 H 1.133 -0.098 10.085 1.00 . A A . 14 LYS HZ3 1 1 12 5543 1 1 14 LYS N N 2.730 -0.854 6.678 1.00 . A A . 14 LYS N 1 1 12 5544 1 1 14 LYS NZ N 1.246 -0.840 10.779 1.00 . A A . 14 LYS NZ 1 1 12 5545 1 1 14 LYS O O 5.956 0.345 5.557 1.00 . A A . 14 LYS O 1 1 12 5546 1 1 15 ASP C C 4.947 -1.815 2.553 1.00 . A A . 15 ASP C 1 1 12 5547 1 1 15 ASP CA C 5.698 -1.947 3.893 1.00 . A A . 15 ASP CA 1 1 12 5548 1 1 15 ASP CB C 6.183 -3.389 4.100 1.00 . A A . 15 ASP CB 1 1 12 5549 1 1 15 ASP CG C 7.597 -3.483 4.694 1.00 . A A . 15 ASP CG 1 1 12 5550 1 1 15 ASP H H 4.154 -2.207 5.339 1.00 . A A . 15 ASP H 1 1 12 5551 1 1 15 ASP HA H 6.568 -1.296 3.799 1.00 . A A . 15 ASP HA 1 1 12 5552 1 1 15 ASP HB2 H 5.467 -3.909 4.749 1.00 . A A . 15 ASP HB2 1 1 12 5553 1 1 15 ASP HB3 H 6.179 -3.904 3.135 1.00 . A A . 15 ASP HB3 1 1 12 5554 1 1 15 ASP N N 4.901 -1.571 5.073 1.00 . A A . 15 ASP N 1 1 12 5555 1 1 15 ASP O O 5.580 -1.788 1.491 1.00 . A A . 15 ASP O 1 1 12 5556 1 1 15 ASP OD1 O 8.159 -2.458 5.162 1.00 . A A . 15 ASP OD1 1 1 12 5557 1 1 15 ASP OD2 O 8.171 -4.597 4.679 1.00 . A A . 15 ASP OD2 1 1 12 5558 1 1 16 CYS C C 2.781 0.104 1.214 1.00 . A A . 16 CYS C 1 1 12 5559 1 1 16 CYS CA C 2.709 -1.385 1.551 1.00 . A A . 16 CYS CA 1 1 12 5560 1 1 16 CYS CB C 1.308 -1.841 1.987 1.00 . A A . 16 CYS CB 1 1 12 5561 1 1 16 CYS H H 3.215 -1.761 3.551 1.00 . A A . 16 CYS H 1 1 12 5562 1 1 16 CYS HA H 3.003 -1.953 0.678 1.00 . A A . 16 CYS HA 1 1 12 5563 1 1 16 CYS HB2 H 1.333 -2.807 2.442 1.00 . A A . 16 CYS HB2 1 1 12 5564 1 1 16 CYS HB3 H 0.965 -1.259 2.812 1.00 . A A . 16 CYS HB3 1 1 12 5565 1 1 16 CYS N N 3.622 -1.674 2.631 1.00 . A A . 16 CYS N 1 1 12 5566 1 1 16 CYS O O 3.476 0.545 0.290 1.00 . A A . 16 CYS O 1 1 12 5567 1 1 16 CYS SG S 0.151 -1.793 0.623 1.00 . A A . 16 CYS SG 1 1 12 5568 1 1 17 THR C C 1.432 2.535 0.267 1.00 . A A . 17 THR C 1 1 12 5569 1 1 17 THR CA C 1.749 2.311 1.764 1.00 . A A . 17 THR CA 1 1 12 5570 1 1 17 THR CB C 2.810 3.198 2.481 1.00 . A A . 17 THR CB 1 1 12 5571 1 1 17 THR CG2 C 4.257 2.700 2.406 1.00 . A A . 17 THR CG2 1 1 12 5572 1 1 17 THR H H 1.641 0.469 2.822 1.00 . A A . 17 THR H 1 1 12 5573 1 1 17 THR HA H 0.816 2.541 2.279 1.00 . A A . 17 THR HA 1 1 12 5574 1 1 17 THR HB H 2.557 3.171 3.540 1.00 . A A . 17 THR HB 1 1 12 5575 1 1 17 THR HG1 H 3.464 5.006 2.663 1.00 . A A . 17 THR HG1 1 1 12 5576 1 1 17 THR HG21 H 4.936 3.432 2.836 1.00 . A A . 17 THR HG21 1 1 12 5577 1 1 17 THR HG22 H 4.541 2.514 1.378 1.00 . A A . 17 THR HG22 1 1 12 5578 1 1 17 THR HG23 H 4.362 1.778 2.980 1.00 . A A . 17 THR HG23 1 1 12 5579 1 1 17 THR N N 2.029 0.892 1.992 1.00 . A A . 17 THR N 1 1 12 5580 1 1 17 THR O O 1.964 3.426 -0.380 1.00 . A A . 17 THR O 1 1 12 5581 1 1 17 THR OG1 O 2.783 4.561 2.118 1.00 . A A . 17 THR OG1 1 1 12 5582 1 1 18 GLU C C -1.115 2.232 -2.101 1.00 . A A . 18 GLU C 1 1 12 5583 1 1 18 GLU CA C 0.290 1.673 -1.802 1.00 . A A . 18 GLU CA 1 1 12 5584 1 1 18 GLU CB C 0.472 0.293 -2.470 1.00 . A A . 18 GLU CB 1 1 12 5585 1 1 18 GLU CD C 2.912 0.730 -3.171 1.00 . A A . 18 GLU CD 1 1 12 5586 1 1 18 GLU CG C 1.903 -0.247 -2.553 1.00 . A A . 18 GLU CG 1 1 12 5587 1 1 18 GLU H H 0.387 0.788 0.133 1.00 . A A . 18 GLU H 1 1 12 5588 1 1 18 GLU HA H 0.956 2.368 -2.313 1.00 . A A . 18 GLU HA 1 1 12 5589 1 1 18 GLU HB2 H -0.134 -0.436 -1.938 1.00 . A A . 18 GLU HB2 1 1 12 5590 1 1 18 GLU HB3 H 0.102 0.345 -3.489 1.00 . A A . 18 GLU HB3 1 1 12 5591 1 1 18 GLU HG2 H 2.202 -0.500 -1.540 1.00 . A A . 18 GLU HG2 1 1 12 5592 1 1 18 GLU HG3 H 1.895 -1.171 -3.137 1.00 . A A . 18 GLU HG3 1 1 12 5593 1 1 18 GLU N N 0.652 1.636 -0.363 1.00 . A A . 18 GLU N 1 1 12 5594 1 1 18 GLU O O -1.617 2.063 -3.213 1.00 . A A . 18 GLU O 1 1 12 5595 1 1 18 GLU OE1 O 2.563 1.569 -4.034 1.00 . A A . 18 GLU OE1 1 1 12 5596 1 1 18 GLU OE2 O 4.073 0.771 -2.697 1.00 . A A . 18 GLU OE2 1 1 12 5597 1 1 19 ARG C C -4.230 2.908 -1.509 1.00 . A A . 19 ARG C 1 1 12 5598 1 1 19 ARG CA C -2.968 3.715 -1.201 1.00 . A A . 19 ARG CA 1 1 12 5599 1 1 19 ARG CB C -2.739 4.929 -2.096 1.00 . A A . 19 ARG CB 1 1 12 5600 1 1 19 ARG CD C -2.974 6.077 -4.395 1.00 . A A . 19 ARG CD 1 1 12 5601 1 1 19 ARG CG C -2.593 4.802 -3.626 1.00 . A A . 19 ARG CG 1 1 12 5602 1 1 19 ARG CZ C -4.102 6.618 -6.547 1.00 . A A . 19 ARG CZ 1 1 12 5603 1 1 19 ARG H H -1.187 3.036 -0.290 1.00 . A A . 19 ARG H 1 1 12 5604 1 1 19 ARG HA H -3.128 4.126 -0.182 1.00 . A A . 19 ARG HA 1 1 12 5605 1 1 19 ARG HB2 H -3.474 5.671 -1.821 1.00 . A A . 19 ARG HB2 1 1 12 5606 1 1 19 ARG HB3 H -1.769 5.238 -1.791 1.00 . A A . 19 ARG HB3 1 1 12 5607 1 1 19 ARG HD2 H -3.524 6.759 -3.743 1.00 . A A . 19 ARG HD2 1 1 12 5608 1 1 19 ARG HD3 H -2.056 6.571 -4.718 1.00 . A A . 19 ARG HD3 1 1 12 5609 1 1 19 ARG HE H -4.211 4.852 -5.628 1.00 . A A . 19 ARG HE 1 1 12 5610 1 1 19 ARG HG2 H -1.554 4.571 -3.863 1.00 . A A . 19 ARG HG2 1 1 12 5611 1 1 19 ARG HG3 H -3.182 3.973 -3.981 1.00 . A A . 19 ARG HG3 1 1 12 5612 1 1 19 ARG HH11 H -3.076 8.187 -5.822 1.00 . A A . 19 ARG HH11 1 1 12 5613 1 1 19 ARG HH12 H -4.029 8.496 -7.251 1.00 . A A . 19 ARG HH12 1 1 12 5614 1 1 19 ARG HH21 H -5.252 5.312 -7.565 1.00 . A A . 19 ARG HH21 1 1 12 5615 1 1 19 ARG HH22 H -4.959 6.852 -8.331 1.00 . A A . 19 ARG HH22 1 1 12 5616 1 1 19 ARG N N -1.709 2.944 -1.137 1.00 . A A . 19 ARG N 1 1 12 5617 1 1 19 ARG NE N -3.806 5.779 -5.574 1.00 . A A . 19 ARG NE 1 1 12 5618 1 1 19 ARG NH1 N -3.665 7.840 -6.572 1.00 . A A . 19 ARG NH1 1 1 12 5619 1 1 19 ARG NH2 N -4.860 6.242 -7.531 1.00 . A A . 19 ARG NH2 1 1 12 5620 1 1 19 ARG O O -4.925 3.131 -2.540 1.00 . A A . 19 ARG O 1 1 12 5621 1 1 19 ARG OXT O -4.550 2.070 -0.660 1.00 . A A . 19 ARG OXT 1 1 12 5622 2 2 1 DT C1' C 9.910 5.615 2.231 1.00 . B B . 20 DT C1' 1 1 12 5623 2 2 1 DT C2 C 12.242 4.796 1.663 1.00 . B B . 20 DT C2 1 1 12 5624 2 2 1 DT C2' C 8.554 5.571 1.525 1.00 . B B . 20 DT C2' 1 1 12 5625 2 2 1 DT C3' C 7.563 5.355 2.654 1.00 . B B . 20 DT C3' 1 1 12 5626 2 2 1 DT C4 C 13.230 5.307 -0.525 1.00 . B B . 20 DT C4 1 1 12 5627 2 2 1 DT C4' C 8.435 4.674 3.714 1.00 . B B . 20 DT C4' 1 1 12 5628 2 2 1 DT C5 C 12.019 6.047 -0.840 1.00 . B B . 20 DT C5 1 1 12 5629 2 2 1 DT C5' C 7.918 3.305 4.175 1.00 . B B . 20 DT C5' 1 1 12 5630 2 2 1 DT C6 C 10.999 6.116 0.053 1.00 . B B . 20 DT C6 1 1 12 5631 2 2 1 DT C7 C 11.890 6.762 -2.173 1.00 . B B . 20 DT C7 1 1 12 5632 2 2 1 DT H1' H 10.009 6.565 2.762 1.00 . B B . 20 DT H1' 1 1 12 5633 2 2 1 DT H2' H 8.525 4.713 0.856 1.00 . B B . 20 DT H2' 1 1 12 5634 2 2 1 DT H2'' H 8.324 6.489 0.989 1.00 . B B . 20 DT H2'' 1 1 12 5635 2 2 1 DT H3 H 14.144 4.393 1.050 1.00 . B B . 20 DT H3 1 1 12 5636 2 2 1 DT H3' H 6.728 4.730 2.327 1.00 . B B . 20 DT H3' 1 1 12 5637 2 2 1 DT H4' H 8.470 5.326 4.589 1.00 . B B . 20 DT H4' 1 1 12 5638 2 2 1 DT H5' H 8.546 2.974 5.005 1.00 . B B . 20 DT H5' 1 1 12 5639 2 2 1 DT H5'' H 6.899 3.431 4.545 1.00 . B B . 20 DT H5'' 1 1 12 5640 2 2 1 DT H6 H 10.131 6.709 -0.205 1.00 . B B . 20 DT H6 1 1 12 5641 2 2 1 DT H71 H 12.017 6.048 -2.987 1.00 . B B . 20 DT H71 1 1 12 5642 2 2 1 DT H72 H 12.677 7.511 -2.247 1.00 . B B . 20 DT H72 1 1 12 5643 2 2 1 DT H73 H 10.924 7.257 -2.266 1.00 . B B . 20 DT H73 1 1 12 5644 2 2 1 DT HO5' H 8.002 1.453 3.597 1.00 . B B . 20 DT HO5' 1 1 12 5645 2 2 1 DT N1 N 11.059 5.470 1.277 1.00 . B B . 20 DT N1 1 1 12 5646 2 2 1 DT N3 N 13.256 4.755 0.732 1.00 . B B . 20 DT N3 1 1 12 5647 2 2 1 DT O2 O 12.455 4.248 2.746 1.00 . B B . 20 DT O2 1 1 12 5648 2 2 1 DT O3' O 7.149 6.634 3.106 1.00 . B B . 20 DT O3' 1 1 12 5649 2 2 1 DT O4 O 14.189 5.134 -1.274 1.00 . B B . 20 DT O4 1 1 12 5650 2 2 1 DT O4' O 9.747 4.571 3.174 1.00 . B B . 20 DT O4' 1 1 12 5651 2 2 1 DT O5' O 7.930 2.318 3.153 1.00 . B B . 20 DT O5' 1 1 12 5652 2 2 2 DA C1' C 5.609 7.696 -1.454 1.00 . B B . 21 DA C1' 1 1 12 5653 2 2 2 DA C2 C 8.821 4.744 -2.332 1.00 . B B . 21 DA C2 1 1 12 5654 2 2 2 DA C2' C 4.110 8.039 -1.447 1.00 . B B . 21 DA C2' 1 1 12 5655 2 2 2 DA C3' C 3.878 9.032 -0.317 1.00 . B B . 21 DA C3' 1 1 12 5656 2 2 2 DA C4 C 6.888 5.464 -1.455 1.00 . B B . 21 DA C4 1 1 12 5657 2 2 2 DA C4' C 5.289 9.292 0.219 1.00 . B B . 21 DA C4' 1 1 12 5658 2 2 2 DA C5 C 6.566 4.217 -0.988 1.00 . B B . 21 DA C5 1 1 12 5659 2 2 2 DA C5' C 5.440 8.976 1.710 1.00 . B B . 21 DA C5' 1 1 12 5660 2 2 2 DA C6 C 7.521 3.214 -1.267 1.00 . B B . 21 DA C6 1 1 12 5661 2 2 2 DA C8 C 5.004 5.481 -0.335 1.00 . B B . 21 DA C8 1 1 12 5662 2 2 2 DA H1' H 6.013 7.853 -2.460 1.00 . B B . 21 DA H1' 1 1 12 5663 2 2 2 DA H2 H 9.737 4.938 -2.873 1.00 . B B . 21 DA H2 1 1 12 5664 2 2 2 DA H2' H 3.467 7.182 -1.310 1.00 . B B . 21 DA H2' 1 1 12 5665 2 2 2 DA H2'' H 3.812 8.435 -2.395 1.00 . B B . 21 DA H2'' 1 1 12 5666 2 2 2 DA H3' H 3.259 8.584 0.465 1.00 . B B . 21 DA H3' 1 1 12 5667 2 2 2 DA H4' H 5.499 10.357 0.106 1.00 . B B . 21 DA H4' 1 1 12 5668 2 2 2 DA H5' H 6.475 9.178 1.968 1.00 . B B . 21 DA H5' 1 1 12 5669 2 2 2 DA H5'' H 4.798 9.646 2.288 1.00 . B B . 21 DA H5'' 1 1 12 5670 2 2 2 DA H61 H 8.116 1.287 -1.114 1.00 . B B . 21 DA H61 1 1 12 5671 2 2 2 DA H62 H 6.646 1.694 -0.265 1.00 . B B . 21 DA H62 1 1 12 5672 2 2 2 DA H8 H 4.097 5.876 0.112 1.00 . B B . 21 DA H8 1 1 12 5673 2 2 2 DA N1 N 8.655 3.498 -1.908 1.00 . B B . 21 DA N1 1 1 12 5674 2 2 2 DA N3 N 8.014 5.791 -2.161 1.00 . B B . 21 DA N3 1 1 12 5675 2 2 2 DA N6 N 7.407 1.963 -0.867 1.00 . B B . 21 DA N6 1 1 12 5676 2 2 2 DA N7 N 5.354 4.224 -0.298 1.00 . B B . 21 DA N7 1 1 12 5677 2 2 2 DA N9 N 5.848 6.286 -1.056 1.00 . B B . 21 DA N9 1 1 12 5678 2 2 2 DA O3' O 3.318 10.258 -0.764 1.00 . B B . 21 DA O3' 1 1 12 5679 2 2 2 DA O4' O 6.254 8.577 -0.550 1.00 . B B . 21 DA O4' 1 1 12 5680 2 2 2 DA O5' O 5.127 7.629 2.033 1.00 . B B . 21 DA O5' 1 1 12 5681 2 2 2 DA OP1 O 5.676 8.010 4.475 1.00 . B B . 21 DA OP1 1 1 12 5682 2 2 2 DA OP2 O 4.850 5.741 3.633 1.00 . B B . 21 DA OP2 1 1 12 5683 2 2 2 DA P P 5.616 6.979 3.409 1.00 . B B . 21 DA P 1 1 12 5684 2 2 3 DC C1' C -1.555 7.390 0.490 1.00 . B B . 22 DC C1' 1 1 12 5685 2 2 3 DC C2 C -0.941 7.738 -1.900 1.00 . B B . 22 DC C2 1 1 12 5686 2 2 3 DC C2' C -1.131 6.930 1.891 1.00 . B B . 22 DC C2' 1 1 12 5687 2 2 3 DC C3' C -0.375 8.147 2.448 1.00 . B B . 22 DC C3' 1 1 12 5688 2 2 3 DC C4 C 0.809 6.668 -2.917 1.00 . B B . 22 DC C4 1 1 12 5689 2 2 3 DC C4' C -0.897 9.326 1.609 1.00 . B B . 22 DC C4' 1 1 12 5690 2 2 3 DC C5 C 1.193 6.050 -1.711 1.00 . B B . 22 DC C5 1 1 12 5691 2 2 3 DC C5' C 0.161 10.214 0.902 1.00 . B B . 22 DC C5' 1 1 12 5692 2 2 3 DC C6 C 0.472 6.322 -0.596 1.00 . B B . 22 DC C6 1 1 12 5693 2 2 3 DC H1' H -2.488 6.889 0.220 1.00 . B B . 22 DC H1' 1 1 12 5694 2 2 3 DC H2' H -0.533 6.018 1.919 1.00 . B B . 22 DC H2' 1 1 12 5695 2 2 3 DC H2'' H -2.047 6.727 2.427 1.00 . B B . 22 DC H2'' 1 1 12 5696 2 2 3 DC H3' H 0.678 8.019 2.188 1.00 . B B . 22 DC H3' 1 1 12 5697 2 2 3 DC H4' H -1.445 9.990 2.275 1.00 . B B . 22 DC H4' 1 1 12 5698 2 2 3 DC H41 H 1.082 6.765 -4.879 1.00 . B B . 22 DC H41 1 1 12 5699 2 2 3 DC H42 H 2.195 5.718 -3.989 1.00 . B B . 22 DC H42 1 1 12 5700 2 2 3 DC H5 H 2.032 5.380 -1.674 1.00 . B B . 22 DC H5 1 1 12 5701 2 2 3 DC H5' H -0.379 11.062 0.473 1.00 . B B . 22 DC H5' 1 1 12 5702 2 2 3 DC H5'' H 0.852 10.604 1.651 1.00 . B B . 22 DC H5'' 1 1 12 5703 2 2 3 DC H6 H 0.740 5.828 0.324 1.00 . B B . 22 DC H6 1 1 12 5704 2 2 3 DC N1 N -0.597 7.191 -0.651 1.00 . B B . 22 DC N1 1 1 12 5705 2 2 3 DC N3 N -0.230 7.460 -3.019 1.00 . B B . 22 DC N3 1 1 12 5706 2 2 3 DC N4 N 1.439 6.377 -4.013 1.00 . B B . 22 DC N4 1 1 12 5707 2 2 3 DC O2 O -1.958 8.409 -2.079 1.00 . B B . 22 DC O2 1 1 12 5708 2 2 3 DC O3' O -0.443 8.366 3.870 1.00 . B B . 22 DC O3' 1 1 12 5709 2 2 3 DC O4' O -1.833 8.768 0.696 1.00 . B B . 22 DC O4' 1 1 12 5710 2 2 3 DC O5' O 0.906 9.580 -0.140 1.00 . B B . 22 DC O5' 1 1 12 5711 2 2 3 DC OP1 O 1.642 9.787 -2.548 1.00 . B B . 22 DC OP1 1 1 12 5712 2 2 3 DC OP2 O 1.502 11.849 -1.084 1.00 . B B . 22 DC OP2 1 1 12 5713 2 2 3 DC P P 1.790 10.402 -1.212 1.00 . B B . 22 DC P 1 1 12 5714 2 2 4 DG C1' C -0.723 3.465 4.869 1.00 . B B . 23 DG C1' 1 1 12 5715 2 2 4 DG C2 C 2.162 6.909 5.510 1.00 . B B . 23 DG C2 1 1 12 5716 2 2 4 DG C2' C -1.716 2.790 5.836 1.00 . B B . 23 DG C2' 1 1 12 5717 2 2 4 DG C3' C -2.766 3.866 6.123 1.00 . B B . 23 DG C3' 1 1 12 5718 2 2 4 DG C4 C 1.420 4.784 5.657 1.00 . B B . 23 DG C4 1 1 12 5719 2 2 4 DG C4' C -2.681 4.716 4.842 1.00 . B B . 23 DG C4' 1 1 12 5720 2 2 4 DG C5 C 2.587 4.360 6.264 1.00 . B B . 23 DG C5 1 1 12 5721 2 2 4 DG C5' C -3.107 6.192 4.914 1.00 . B B . 23 DG C5' 1 1 12 5722 2 2 4 DG C6 C 3.626 5.318 6.537 1.00 . B B . 23 DG C6 1 1 12 5723 2 2 4 DG C8 C 1.349 2.664 6.133 1.00 . B B . 23 DG C8 1 1 12 5724 2 2 4 DG H1 H 3.999 7.315 6.247 1.00 . B B . 23 DG H1 1 1 12 5725 2 2 4 DG H1' H -0.618 2.839 3.979 1.00 . B B . 23 DG H1' 1 1 12 5726 2 2 4 DG H2' H -1.248 2.491 6.769 1.00 . B B . 23 DG H2' 1 1 12 5727 2 2 4 DG H2'' H -2.140 1.882 5.379 1.00 . B B . 23 DG H2'' 1 1 12 5728 2 2 4 DG H21 H 2.707 8.847 5.464 1.00 . B B . 23 DG H21 1 1 12 5729 2 2 4 DG H22 H 1.130 8.404 4.753 1.00 . B B . 23 DG H22 1 1 12 5730 2 2 4 DG H3' H -2.448 4.469 6.975 1.00 . B B . 23 DG H3' 1 1 12 5731 2 2 4 DG H4' H -3.314 4.235 4.096 1.00 . B B . 23 DG H4' 1 1 12 5732 2 2 4 DG H5' H -3.405 6.506 3.916 1.00 . B B . 23 DG H5' 1 1 12 5733 2 2 4 DG H5'' H -3.989 6.306 5.536 1.00 . B B . 23 DG H5'' 1 1 12 5734 2 2 4 DG H8 H 0.966 1.668 6.234 1.00 . B B . 23 DG H8 1 1 12 5735 2 2 4 DG N1 N 3.305 6.599 6.153 1.00 . B B . 23 DG N1 1 1 12 5736 2 2 4 DG N2 N 1.983 8.173 5.252 1.00 . B B . 23 DG N2 1 1 12 5737 2 2 4 DG N3 N 1.156 6.073 5.279 1.00 . B B . 23 DG N3 1 1 12 5738 2 2 4 DG N7 N 2.530 3.002 6.560 1.00 . B B . 23 DG N7 1 1 12 5739 2 2 4 DG N9 N 0.617 3.654 5.527 1.00 . B B . 23 DG N9 1 1 12 5740 2 2 4 DG O3' O -4.018 3.226 6.383 1.00 . B B . 23 DG O3' 1 1 12 5741 2 2 4 DG O4' O -1.331 4.654 4.413 1.00 . B B . 23 DG O4' 1 1 12 5742 2 2 4 DG O5' O -2.085 7.031 5.436 1.00 . B B . 23 DG O5' 1 1 12 5743 2 2 4 DG O6 O 4.726 5.149 7.078 1.00 . B B . 23 DG O6 1 1 12 5744 2 2 4 DG OP1 O -2.915 8.961 4.050 1.00 . B B . 23 DG OP1 1 1 12 5745 2 2 4 DG OP2 O -1.326 9.263 6.000 1.00 . B B . 23 DG OP2 1 1 12 5746 2 2 4 DG P P -1.749 8.476 4.824 1.00 . B B . 23 DG P 1 1 12 5747 2 2 5 DC C1' C -6.244 4.577 1.312 1.00 . B B . 24 DC C1' 1 1 12 5748 2 2 5 DC C2 C -7.577 2.574 2.287 1.00 . B B . 24 DC C2 1 1 12 5749 2 2 5 DC C2' C -7.172 5.748 1.048 1.00 . B B . 24 DC C2' 1 1 12 5750 2 2 5 DC C3' C -7.720 6.011 2.452 1.00 . B B . 24 DC C3' 1 1 12 5751 2 2 5 DC C4 C -8.345 0.929 0.885 1.00 . B B . 24 DC C4 1 1 12 5752 2 2 5 DC C4' C -6.405 5.927 3.236 1.00 . B B . 24 DC C4' 1 1 12 5753 2 2 5 DC C5 C -7.900 1.628 -0.256 1.00 . B B . 24 DC C5 1 1 12 5754 2 2 5 DC C5' C -6.536 5.628 4.749 1.00 . B B . 24 DC C5' 1 1 12 5755 2 2 5 DC C6 C -7.238 2.791 -0.062 1.00 . B B . 24 DC C6 1 1 12 5756 2 2 5 DC H1' H -5.459 4.552 0.553 1.00 . B B . 24 DC H1' 1 1 12 5757 2 2 5 DC H2' H -7.901 5.477 0.301 1.00 . B B . 24 DC H2' 1 1 12 5758 2 2 5 DC H2'' H -6.601 6.609 0.700 1.00 . B B . 24 DC H2'' 1 1 12 5759 2 2 5 DC H3' H -8.382 5.203 2.767 1.00 . B B . 24 DC H3' 1 1 12 5760 2 2 5 DC H4' H -5.882 6.877 3.121 1.00 . B B . 24 DC H4' 1 1 12 5761 2 2 5 DC H41 H -9.286 -0.671 1.569 1.00 . B B . 24 DC H41 1 1 12 5762 2 2 5 DC H42 H -9.164 -0.528 -0.190 1.00 . B B . 24 DC H42 1 1 12 5763 2 2 5 DC H5 H -8.042 1.251 -1.253 1.00 . B B . 24 DC H5 1 1 12 5764 2 2 5 DC H5' H -6.285 6.532 5.313 1.00 . B B . 24 DC H5' 1 1 12 5765 2 2 5 DC H5'' H -7.563 5.356 4.974 1.00 . B B . 24 DC H5'' 1 1 12 5766 2 2 5 DC H6 H -6.848 3.332 -0.916 1.00 . B B . 24 DC H6 1 1 12 5767 2 2 5 DC N1 N -7.009 3.276 1.203 1.00 . B B . 24 DC N1 1 1 12 5768 2 2 5 DC N3 N -8.257 1.411 2.101 1.00 . B B . 24 DC N3 1 1 12 5769 2 2 5 DC N4 N -9.078 -0.134 0.740 1.00 . B B . 24 DC N4 1 1 12 5770 2 2 5 DC O2 O -7.570 2.980 3.445 1.00 . B B . 24 DC O2 1 1 12 5771 2 2 5 DC O3' O -8.383 7.261 2.522 1.00 . B B . 24 DC O3' 1 1 12 5772 2 2 5 DC O4' O -5.654 4.924 2.554 1.00 . B B . 24 DC O4' 1 1 12 5773 2 2 5 DC O5' O -5.658 4.563 5.105 1.00 . B B . 24 DC O5' 1 1 12 5774 2 2 5 DC OP1 O -5.103 5.162 7.507 1.00 . B B . 24 DC OP1 1 1 12 5775 2 2 5 DC OP2 O -6.468 3.094 6.940 1.00 . B B . 24 DC OP2 1 1 12 5776 2 2 5 DC P P -5.385 4.036 6.580 1.00 . B B . 24 DC P 1 1 12 5777 2 2 6 DC C1' C -11.965 3.936 -1.337 1.00 . B B . 25 DC C1' 1 1 12 5778 2 2 6 DC C2 C -11.797 3.546 -3.794 1.00 . B B . 25 DC C2 1 1 12 5779 2 2 6 DC C2' C -10.632 3.484 -0.751 1.00 . B B . 25 DC C2' 1 1 12 5780 2 2 6 DC C3' C -10.901 3.467 0.748 1.00 . B B . 25 DC C3' 1 1 12 5781 2 2 6 DC C4 C -11.414 5.267 -5.271 1.00 . B B . 25 DC C4 1 1 12 5782 2 2 6 DC C4' C -12.080 4.451 0.887 1.00 . B B . 25 DC C4' 1 1 12 5783 2 2 6 DC C5 C -11.355 6.224 -4.226 1.00 . B B . 25 DC C5 1 1 12 5784 2 2 6 DC C5' C -11.794 5.597 1.864 1.00 . B B . 25 DC C5' 1 1 12 5785 2 2 6 DC C6 C -11.552 5.786 -2.956 1.00 . B B . 25 DC C6 1 1 12 5786 2 2 6 DC H1' H -12.664 3.092 -1.338 1.00 . B B . 25 DC H1' 1 1 12 5787 2 2 6 DC H2' H -9.856 4.219 -0.973 1.00 . B B . 25 DC H2' 1 1 12 5788 2 2 6 DC H2'' H -10.346 2.504 -1.132 1.00 . B B . 25 DC H2'' 1 1 12 5789 2 2 6 DC H3' H -10.023 3.827 1.294 1.00 . B B . 25 DC H3' 1 1 12 5790 2 2 6 DC H4' H -12.939 3.901 1.272 1.00 . B B . 25 DC H4' 1 1 12 5791 2 2 6 DC H41 H -11.252 4.967 -7.244 1.00 . B B . 25 DC H41 1 1 12 5792 2 2 6 DC H42 H -10.981 6.614 -6.675 1.00 . B B . 25 DC H42 1 1 12 5793 2 2 6 DC H5 H -11.159 7.271 -4.409 1.00 . B B . 25 DC H5 1 1 12 5794 2 2 6 DC H5' H -12.608 6.317 1.818 1.00 . B B . 25 DC H5' 1 1 12 5795 2 2 6 DC H5'' H -11.778 5.171 2.868 1.00 . B B . 25 DC H5'' 1 1 12 5796 2 2 6 DC H6 H -11.511 6.478 -2.120 1.00 . B B . 25 DC H6 1 1 12 5797 2 2 6 DC HO3' H -10.490 1.576 1.110 1.00 . B B . 25 DC HO3' 1 1 12 5798 2 2 6 DC N1 N -11.801 4.454 -2.723 1.00 . B B . 25 DC N1 1 1 12 5799 2 2 6 DC N3 N -11.593 3.974 -5.067 1.00 . B B . 25 DC N3 1 1 12 5800 2 2 6 DC N4 N -11.171 5.640 -6.492 1.00 . B B . 25 DC N4 1 1 12 5801 2 2 6 DC O2 O -11.930 2.330 -3.604 1.00 . B B . 25 DC O2 1 1 12 5802 2 2 6 DC O3' O -11.269 2.156 1.162 1.00 . B B . 25 DC O3' 1 1 12 5803 2 2 6 DC O4' O -12.411 4.919 -0.416 1.00 . B B . 25 DC O4' 1 1 12 5804 2 2 6 DC O5' O -10.557 6.257 1.619 1.00 . B B . 25 DC O5' 1 1 12 5805 2 2 6 DC OP1 O -10.411 8.668 2.287 1.00 . B B . 25 DC OP1 1 1 12 5806 2 2 6 DC OP2 O -10.301 6.831 4.030 1.00 . B B . 25 DC OP2 1 1 12 5807 2 2 6 DC P P -9.974 7.313 2.672 1.00 . B B . 25 DC P 1 1 12 5808 3 3 1 ZN ZN ZN 0.157 -3.664 0.115 1.00 . C A . 26 ZN ZN 1 1 13 5809 1 1 1 LYS C C -4.822 -10.583 4.227 1.00 . A A . 1 LYS C 1 1 13 5810 1 1 1 LYS CA C -6.137 -10.805 4.976 1.00 . A A . 1 LYS CA 1 1 13 5811 1 1 1 LYS CB C -6.689 -12.238 4.824 1.00 . A A . 1 LYS CB 1 1 13 5812 1 1 1 LYS CD C -8.001 -13.867 3.379 1.00 . A A . 1 LYS CD 1 1 13 5813 1 1 1 LYS CE C -8.654 -14.104 2.013 1.00 . A A . 1 LYS CE 1 1 13 5814 1 1 1 LYS CG C -7.128 -12.610 3.394 1.00 . A A . 1 LYS CG 1 1 13 5815 1 1 1 LYS H1 H -6.885 -9.281 3.767 1.00 . A A . 1 LYS H1 1 1 13 5816 1 1 1 LYS H2 H -7.235 -9.119 5.369 1.00 . A A . 1 LYS H2 1 1 13 5817 1 1 1 LYS H3 H -8.058 -10.217 4.468 1.00 . A A . 1 LYS H3 1 1 13 5818 1 1 1 LYS HA H -5.919 -10.658 6.034 1.00 . A A . 1 LYS HA 1 1 13 5819 1 1 1 LYS HB2 H -5.931 -12.951 5.156 1.00 . A A . 1 LYS HB2 1 1 13 5820 1 1 1 LYS HB3 H -7.542 -12.334 5.496 1.00 . A A . 1 LYS HB3 1 1 13 5821 1 1 1 LYS HD2 H -7.391 -14.730 3.650 1.00 . A A . 1 LYS HD2 1 1 13 5822 1 1 1 LYS HD3 H -8.786 -13.747 4.123 1.00 . A A . 1 LYS HD3 1 1 13 5823 1 1 1 LYS HE2 H -9.270 -13.236 1.758 1.00 . A A . 1 LYS HE2 1 1 13 5824 1 1 1 LYS HE3 H -7.879 -14.208 1.249 1.00 . A A . 1 LYS HE3 1 1 13 5825 1 1 1 LYS HG2 H -7.701 -11.793 2.961 1.00 . A A . 1 LYS HG2 1 1 13 5826 1 1 1 LYS HG3 H -6.250 -12.788 2.782 1.00 . A A . 1 LYS HG3 1 1 13 5827 1 1 1 LYS HZ1 H -10.200 -15.226 2.790 1.00 . A A . 1 LYS HZ1 1 1 13 5828 1 1 1 LYS HZ2 H -8.925 -16.139 2.273 1.00 . A A . 1 LYS HZ2 1 1 13 5829 1 1 1 LYS HZ3 H -9.971 -15.511 1.186 1.00 . A A . 1 LYS HZ3 1 1 13 5830 1 1 1 LYS N N -7.151 -9.785 4.607 1.00 . A A . 1 LYS N 1 1 13 5831 1 1 1 LYS NZ N -9.495 -15.322 2.063 1.00 . A A . 1 LYS NZ 1 1 13 5832 1 1 1 LYS O O -4.835 -10.369 3.013 1.00 . A A . 1 LYS O 1 1 13 5833 1 1 2 GLY C C -2.010 -8.911 4.197 1.00 . A A . 2 GLY C 1 1 13 5834 1 1 2 GLY CA C -2.358 -10.403 4.307 1.00 . A A . 2 GLY CA 1 1 13 5835 1 1 2 GLY H H -3.698 -10.922 5.890 1.00 . A A . 2 GLY H 1 1 13 5836 1 1 2 GLY HA2 H -1.592 -10.883 4.914 1.00 . A A . 2 GLY HA2 1 1 13 5837 1 1 2 GLY HA3 H -2.334 -10.843 3.313 1.00 . A A . 2 GLY HA3 1 1 13 5838 1 1 2 GLY N N -3.674 -10.672 4.905 1.00 . A A . 2 GLY N 1 1 13 5839 1 1 2 GLY O O -1.954 -8.227 5.222 1.00 . A A . 2 GLY O 1 1 13 5840 1 1 3 CYS C C -2.925 -6.225 3.159 1.00 . A A . 3 CYS C 1 1 13 5841 1 1 3 CYS CA C -1.646 -6.965 2.723 1.00 . A A . 3 CYS CA 1 1 13 5842 1 1 3 CYS CB C -1.366 -6.672 1.231 1.00 . A A . 3 CYS CB 1 1 13 5843 1 1 3 CYS H H -1.861 -9.021 2.175 1.00 . A A . 3 CYS H 1 1 13 5844 1 1 3 CYS HA H -0.808 -6.590 3.315 1.00 . A A . 3 CYS HA 1 1 13 5845 1 1 3 CYS HB2 H -1.173 -7.609 0.712 1.00 . A A . 3 CYS HB2 1 1 13 5846 1 1 3 CYS HB3 H -2.268 -6.233 0.811 1.00 . A A . 3 CYS HB3 1 1 13 5847 1 1 3 CYS N N -1.783 -8.410 2.969 1.00 . A A . 3 CYS N 1 1 13 5848 1 1 3 CYS O O -4.014 -6.802 3.267 1.00 . A A . 3 CYS O 1 1 13 5849 1 1 3 CYS SG S -0.017 -5.473 0.928 1.00 . A A . 3 CYS SG 1 1 13 5850 1 1 4 TRP C C -4.798 -3.851 2.337 1.00 . A A . 4 TRP C 1 1 13 5851 1 1 4 TRP CA C -3.918 -4.007 3.585 1.00 . A A . 4 TRP CA 1 1 13 5852 1 1 4 TRP CB C -3.328 -2.677 4.068 1.00 . A A . 4 TRP CB 1 1 13 5853 1 1 4 TRP CD1 C -5.382 -1.180 3.820 1.00 . A A . 4 TRP CD1 1 1 13 5854 1 1 4 TRP CD2 C -3.445 -0.188 3.277 1.00 . A A . 4 TRP CD2 1 1 13 5855 1 1 4 TRP CE2 C -4.469 0.772 3.069 1.00 . A A . 4 TRP CE2 1 1 13 5856 1 1 4 TRP CE3 C -2.118 0.200 3.017 1.00 . A A . 4 TRP CE3 1 1 13 5857 1 1 4 TRP CG C -4.054 -1.421 3.740 1.00 . A A . 4 TRP CG 1 1 13 5858 1 1 4 TRP CH2 C -2.843 2.454 2.454 1.00 . A A . 4 TRP CH2 1 1 13 5859 1 1 4 TRP CZ2 C -4.182 2.070 2.635 1.00 . A A . 4 TRP CZ2 1 1 13 5860 1 1 4 TRP CZ3 C -1.824 1.505 2.618 1.00 . A A . 4 TRP CZ3 1 1 13 5861 1 1 4 TRP H H -1.874 -4.530 3.219 1.00 . A A . 4 TRP H 1 1 13 5862 1 1 4 TRP HA H -4.552 -4.413 4.376 1.00 . A A . 4 TRP HA 1 1 13 5863 1 1 4 TRP HB2 H -3.194 -2.693 5.142 1.00 . A A . 4 TRP HB2 1 1 13 5864 1 1 4 TRP HB3 H -2.331 -2.571 3.640 1.00 . A A . 4 TRP HB3 1 1 13 5865 1 1 4 TRP HD1 H -6.135 -1.888 4.153 1.00 . A A . 4 TRP HD1 1 1 13 5866 1 1 4 TRP HE1 H -6.561 0.519 3.380 1.00 . A A . 4 TRP HE1 1 1 13 5867 1 1 4 TRP HE3 H -1.320 -0.514 3.145 1.00 . A A . 4 TRP HE3 1 1 13 5868 1 1 4 TRP HH2 H -2.595 3.464 2.177 1.00 . A A . 4 TRP HH2 1 1 13 5869 1 1 4 TRP HZ2 H -4.994 2.742 2.431 1.00 . A A . 4 TRP HZ2 1 1 13 5870 1 1 4 TRP HZ3 H -0.805 1.759 2.431 1.00 . A A . 4 TRP HZ3 1 1 13 5871 1 1 4 TRP N N -2.802 -4.914 3.319 1.00 . A A . 4 TRP N 1 1 13 5872 1 1 4 TRP NE1 N -5.634 0.112 3.396 1.00 . A A . 4 TRP NE1 1 1 13 5873 1 1 4 TRP O O -5.960 -4.262 2.330 1.00 . A A . 4 TRP O 1 1 13 5874 1 1 5 LYS C C -4.810 -4.067 -1.052 1.00 . A A . 5 LYS C 1 1 13 5875 1 1 5 LYS CA C -4.958 -2.988 0.017 1.00 . A A . 5 LYS CA 1 1 13 5876 1 1 5 LYS CB C -4.568 -1.571 -0.445 1.00 . A A . 5 LYS CB 1 1 13 5877 1 1 5 LYS CD C -3.000 -1.613 -2.496 1.00 . A A . 5 LYS CD 1 1 13 5878 1 1 5 LYS CE C -3.554 -0.394 -3.229 1.00 . A A . 5 LYS CE 1 1 13 5879 1 1 5 LYS CG C -3.129 -1.428 -0.974 1.00 . A A . 5 LYS CG 1 1 13 5880 1 1 5 LYS H H -3.266 -3.012 1.335 1.00 . A A . 5 LYS H 1 1 13 5881 1 1 5 LYS HA H -6.026 -2.944 0.246 1.00 . A A . 5 LYS HA 1 1 13 5882 1 1 5 LYS HB2 H -5.279 -1.244 -1.203 1.00 . A A . 5 LYS HB2 1 1 13 5883 1 1 5 LYS HB3 H -4.684 -0.904 0.414 1.00 . A A . 5 LYS HB3 1 1 13 5884 1 1 5 LYS HD2 H -1.949 -1.743 -2.742 1.00 . A A . 5 LYS HD2 1 1 13 5885 1 1 5 LYS HD3 H -3.525 -2.505 -2.815 1.00 . A A . 5 LYS HD3 1 1 13 5886 1 1 5 LYS HE2 H -4.632 -0.380 -3.089 1.00 . A A . 5 LYS HE2 1 1 13 5887 1 1 5 LYS HE3 H -3.147 0.507 -2.764 1.00 . A A . 5 LYS HE3 1 1 13 5888 1 1 5 LYS HG2 H -2.780 -0.430 -0.706 1.00 . A A . 5 LYS HG2 1 1 13 5889 1 1 5 LYS HG3 H -2.485 -2.140 -0.457 1.00 . A A . 5 LYS HG3 1 1 13 5890 1 1 5 LYS HZ1 H -2.249 -0.504 -4.845 1.00 . A A . 5 LYS HZ1 1 1 13 5891 1 1 5 LYS HZ2 H -3.563 0.426 -5.130 1.00 . A A . 5 LYS HZ2 1 1 13 5892 1 1 5 LYS HZ3 H -3.710 -1.200 -5.114 1.00 . A A . 5 LYS HZ3 1 1 13 5893 1 1 5 LYS N N -4.227 -3.315 1.251 1.00 . A A . 5 LYS N 1 1 13 5894 1 1 5 LYS NZ N -3.247 -0.420 -4.667 1.00 . A A . 5 LYS NZ 1 1 13 5895 1 1 5 LYS O O -5.800 -4.416 -1.695 1.00 . A A . 5 LYS O 1 1 13 5896 1 1 6 CYS C C -4.063 -6.884 -2.064 1.00 . A A . 6 CYS C 1 1 13 5897 1 1 6 CYS CA C -3.266 -5.584 -2.244 1.00 . A A . 6 CYS CA 1 1 13 5898 1 1 6 CYS CB C -1.738 -5.793 -2.255 1.00 . A A . 6 CYS CB 1 1 13 5899 1 1 6 CYS H H -2.824 -4.236 -0.705 1.00 . A A . 6 CYS H 1 1 13 5900 1 1 6 CYS HA H -3.548 -5.155 -3.200 1.00 . A A . 6 CYS HA 1 1 13 5901 1 1 6 CYS HB2 H -1.464 -6.593 -1.568 1.00 . A A . 6 CYS HB2 1 1 13 5902 1 1 6 CYS HB3 H -1.452 -6.098 -3.262 1.00 . A A . 6 CYS HB3 1 1 13 5903 1 1 6 CYS N N -3.610 -4.631 -1.201 1.00 . A A . 6 CYS N 1 1 13 5904 1 1 6 CYS O O -4.935 -7.215 -2.867 1.00 . A A . 6 CYS O 1 1 13 5905 1 1 6 CYS SG S -0.825 -4.294 -1.788 1.00 . A A . 6 CYS SG 1 1 13 5906 1 1 7 GLY C C -3.683 -10.079 -1.016 1.00 . A A . 7 GLY C 1 1 13 5907 1 1 7 GLY CA C -4.460 -8.837 -0.587 1.00 . A A . 7 GLY CA 1 1 13 5908 1 1 7 GLY H H -3.107 -7.200 -0.344 1.00 . A A . 7 GLY H 1 1 13 5909 1 1 7 GLY HA2 H -4.612 -8.870 0.495 1.00 . A A . 7 GLY HA2 1 1 13 5910 1 1 7 GLY HA3 H -5.431 -8.879 -1.071 1.00 . A A . 7 GLY HA3 1 1 13 5911 1 1 7 GLY N N -3.803 -7.583 -0.957 1.00 . A A . 7 GLY N 1 1 13 5912 1 1 7 GLY O O -4.249 -10.965 -1.656 1.00 . A A . 7 GLY O 1 1 13 5913 1 1 8 LYS C C -0.462 -11.685 -0.101 1.00 . A A . 8 LYS C 1 1 13 5914 1 1 8 LYS CA C -1.455 -11.183 -1.154 1.00 . A A . 8 LYS CA 1 1 13 5915 1 1 8 LYS CB C -0.678 -10.750 -2.404 1.00 . A A . 8 LYS CB 1 1 13 5916 1 1 8 LYS CD C -0.679 -9.685 -4.724 1.00 . A A . 8 LYS CD 1 1 13 5917 1 1 8 LYS CE C -0.104 -8.268 -4.602 1.00 . A A . 8 LYS CE 1 1 13 5918 1 1 8 LYS CG C -1.526 -10.121 -3.522 1.00 . A A . 8 LYS CG 1 1 13 5919 1 1 8 LYS H H -1.976 -9.271 -0.316 1.00 . A A . 8 LYS H 1 1 13 5920 1 1 8 LYS HA H -2.063 -12.052 -1.394 1.00 . A A . 8 LYS HA 1 1 13 5921 1 1 8 LYS HB2 H 0.092 -10.058 -2.070 1.00 . A A . 8 LYS HB2 1 1 13 5922 1 1 8 LYS HB3 H -0.179 -11.627 -2.812 1.00 . A A . 8 LYS HB3 1 1 13 5923 1 1 8 LYS HD2 H 0.127 -10.402 -4.897 1.00 . A A . 8 LYS HD2 1 1 13 5924 1 1 8 LYS HD3 H -1.327 -9.689 -5.600 1.00 . A A . 8 LYS HD3 1 1 13 5925 1 1 8 LYS HE2 H 0.469 -8.044 -5.510 1.00 . A A . 8 LYS HE2 1 1 13 5926 1 1 8 LYS HE3 H -0.927 -7.553 -4.562 1.00 . A A . 8 LYS HE3 1 1 13 5927 1 1 8 LYS HG2 H -2.248 -10.862 -3.861 1.00 . A A . 8 LYS HG2 1 1 13 5928 1 1 8 LYS HG3 H -2.069 -9.250 -3.158 1.00 . A A . 8 LYS HG3 1 1 13 5929 1 1 8 LYS HZ1 H 1.569 -8.704 -3.466 1.00 . A A . 8 LYS HZ1 1 1 13 5930 1 1 8 LYS HZ2 H 0.269 -8.261 -2.555 1.00 . A A . 8 LYS HZ2 1 1 13 5931 1 1 8 LYS HZ3 H 1.127 -7.136 -3.367 1.00 . A A . 8 LYS HZ3 1 1 13 5932 1 1 8 LYS N N -2.369 -10.107 -0.719 1.00 . A A . 8 LYS N 1 1 13 5933 1 1 8 LYS NZ N 0.763 -8.083 -3.420 1.00 . A A . 8 LYS NZ 1 1 13 5934 1 1 8 LYS O O 0.518 -12.339 -0.442 1.00 . A A . 8 LYS O 1 1 13 5935 1 1 9 GLU C C 1.689 -11.484 2.123 1.00 . A A . 9 GLU C 1 1 13 5936 1 1 9 GLU CA C 0.176 -11.776 2.295 1.00 . A A . 9 GLU CA 1 1 13 5937 1 1 9 GLU CB C -0.110 -13.258 2.614 1.00 . A A . 9 GLU CB 1 1 13 5938 1 1 9 GLU CD C -1.857 -15.044 2.962 1.00 . A A . 9 GLU CD 1 1 13 5939 1 1 9 GLU CG C -1.579 -13.543 2.967 1.00 . A A . 9 GLU CG 1 1 13 5940 1 1 9 GLU H H -1.571 -10.939 1.363 1.00 . A A . 9 GLU H 1 1 13 5941 1 1 9 GLU HA H -0.096 -11.204 3.181 1.00 . A A . 9 GLU HA 1 1 13 5942 1 1 9 GLU HB2 H 0.172 -13.866 1.754 1.00 . A A . 9 GLU HB2 1 1 13 5943 1 1 9 GLU HB3 H 0.505 -13.566 3.458 1.00 . A A . 9 GLU HB3 1 1 13 5944 1 1 9 GLU HG2 H -1.790 -13.129 3.954 1.00 . A A . 9 GLU HG2 1 1 13 5945 1 1 9 GLU HG3 H -2.242 -13.060 2.249 1.00 . A A . 9 GLU HG3 1 1 13 5946 1 1 9 GLU N N -0.675 -11.339 1.168 1.00 . A A . 9 GLU N 1 1 13 5947 1 1 9 GLU O O 2.528 -12.221 2.639 1.00 . A A . 9 GLU O 1 1 13 5948 1 1 9 GLU OE1 O -1.308 -15.758 3.836 1.00 . A A . 9 GLU OE1 1 1 13 5949 1 1 9 GLU OE2 O -2.580 -15.530 2.057 1.00 . A A . 9 GLU OE2 1 1 13 5950 1 1 10 GLY C C 4.083 -9.261 2.208 1.00 . A A . 10 GLY C 1 1 13 5951 1 1 10 GLY CA C 3.453 -10.100 1.095 1.00 . A A . 10 GLY CA 1 1 13 5952 1 1 10 GLY H H 1.346 -9.831 0.987 1.00 . A A . 10 GLY H 1 1 13 5953 1 1 10 GLY HA2 H 4.037 -11.014 0.964 1.00 . A A . 10 GLY HA2 1 1 13 5954 1 1 10 GLY HA3 H 3.502 -9.526 0.168 1.00 . A A . 10 GLY HA3 1 1 13 5955 1 1 10 GLY N N 2.055 -10.437 1.372 1.00 . A A . 10 GLY N 1 1 13 5956 1 1 10 GLY O O 5.241 -9.483 2.580 1.00 . A A . 10 GLY O 1 1 13 5957 1 1 11 HIS C C 2.538 -6.816 4.596 1.00 . A A . 11 HIS C 1 1 13 5958 1 1 11 HIS CA C 3.739 -7.438 3.850 1.00 . A A . 11 HIS CA 1 1 13 5959 1 1 11 HIS CB C 4.701 -6.367 3.291 1.00 . A A . 11 HIS CB 1 1 13 5960 1 1 11 HIS CD2 C 3.018 -4.919 1.997 1.00 . A A . 11 HIS CD2 1 1 13 5961 1 1 11 HIS CE1 C 4.041 -4.791 0.072 1.00 . A A . 11 HIS CE1 1 1 13 5962 1 1 11 HIS CG C 4.180 -5.633 2.090 1.00 . A A . 11 HIS CG 1 1 13 5963 1 1 11 HIS H H 2.373 -8.195 2.404 1.00 . A A . 11 HIS H 1 1 13 5964 1 1 11 HIS HA H 4.284 -8.036 4.572 1.00 . A A . 11 HIS HA 1 1 13 5965 1 1 11 HIS HB2 H 4.946 -5.642 4.059 1.00 . A A . 11 HIS HB2 1 1 13 5966 1 1 11 HIS HB3 H 5.640 -6.850 3.015 1.00 . A A . 11 HIS HB3 1 1 13 5967 1 1 11 HIS HD1 H 5.747 -5.876 0.664 1.00 . A A . 11 HIS HD1 1 1 13 5968 1 1 11 HIS HD2 H 2.326 -4.669 2.793 1.00 . A A . 11 HIS HD2 1 1 13 5969 1 1 11 HIS HE1 H 4.294 -4.448 -0.915 1.00 . A A . 11 HIS HE1 1 1 13 5970 1 1 11 HIS N N 3.316 -8.313 2.755 1.00 . A A . 11 HIS N 1 1 13 5971 1 1 11 HIS ND1 N 4.814 -5.537 0.873 1.00 . A A . 11 HIS ND1 1 1 13 5972 1 1 11 HIS NE2 N 2.901 -4.461 0.689 1.00 . A A . 11 HIS NE2 1 1 13 5973 1 1 11 HIS O O 1.400 -7.281 4.494 1.00 . A A . 11 HIS O 1 1 13 5974 1 1 12 GLN C C 1.984 -3.427 5.447 1.00 . A A . 12 GLN C 1 1 13 5975 1 1 12 GLN CA C 1.829 -4.848 5.966 1.00 . A A . 12 GLN CA 1 1 13 5976 1 1 12 GLN CB C 2.029 -4.933 7.486 1.00 . A A . 12 GLN CB 1 1 13 5977 1 1 12 GLN CD C 0.868 -4.943 9.720 1.00 . A A . 12 GLN CD 1 1 13 5978 1 1 12 GLN CG C 0.844 -4.403 8.304 1.00 . A A . 12 GLN CG 1 1 13 5979 1 1 12 GLN H H 3.774 -5.487 5.458 1.00 . A A . 12 GLN H 1 1 13 5980 1 1 12 GLN HA H 0.818 -5.123 5.697 1.00 . A A . 12 GLN HA 1 1 13 5981 1 1 12 GLN HB2 H 2.201 -5.976 7.757 1.00 . A A . 12 GLN HB2 1 1 13 5982 1 1 12 GLN HB3 H 2.925 -4.378 7.751 1.00 . A A . 12 GLN HB3 1 1 13 5983 1 1 12 GLN HE21 H 0.196 -6.734 9.092 1.00 . A A . 12 GLN HE21 1 1 13 5984 1 1 12 GLN HE22 H 0.337 -6.507 10.852 1.00 . A A . 12 GLN HE22 1 1 13 5985 1 1 12 GLN HG2 H 0.861 -3.317 8.341 1.00 . A A . 12 GLN HG2 1 1 13 5986 1 1 12 GLN HG3 H -0.087 -4.725 7.842 1.00 . A A . 12 GLN HG3 1 1 13 5987 1 1 12 GLN N N 2.799 -5.747 5.345 1.00 . A A . 12 GLN N 1 1 13 5988 1 1 12 GLN NE2 N 0.464 -6.177 9.901 1.00 . A A . 12 GLN NE2 1 1 13 5989 1 1 12 GLN O O 2.944 -3.092 4.767 1.00 . A A . 12 GLN O 1 1 13 5990 1 1 12 GLN OE1 O 1.268 -4.262 10.657 1.00 . A A . 12 GLN OE1 1 1 13 5991 1 1 13 MET C C 2.293 -0.416 5.542 1.00 . A A . 13 MET C 1 1 13 5992 1 1 13 MET CA C 0.954 -1.142 5.525 1.00 . A A . 13 MET CA 1 1 13 5993 1 1 13 MET CB C 0.013 -0.535 6.558 1.00 . A A . 13 MET CB 1 1 13 5994 1 1 13 MET CE C -2.535 -2.580 8.402 1.00 . A A . 13 MET CE 1 1 13 5995 1 1 13 MET CG C -1.406 -1.056 6.370 1.00 . A A . 13 MET CG 1 1 13 5996 1 1 13 MET H H 0.312 -2.939 6.403 1.00 . A A . 13 MET H 1 1 13 5997 1 1 13 MET HA H 0.526 -0.963 4.547 1.00 . A A . 13 MET HA 1 1 13 5998 1 1 13 MET HB2 H 0.367 -0.776 7.561 1.00 . A A . 13 MET HB2 1 1 13 5999 1 1 13 MET HB3 H 0.012 0.531 6.414 1.00 . A A . 13 MET HB3 1 1 13 6000 1 1 13 MET HE1 H -3.568 -2.914 8.484 1.00 . A A . 13 MET HE1 1 1 13 6001 1 1 13 MET HE2 H -2.014 -3.253 7.723 1.00 . A A . 13 MET HE2 1 1 13 6002 1 1 13 MET HE3 H -2.062 -2.624 9.384 1.00 . A A . 13 MET HE3 1 1 13 6003 1 1 13 MET HG2 H -1.834 -0.573 5.506 1.00 . A A . 13 MET HG2 1 1 13 6004 1 1 13 MET HG3 H -1.369 -2.100 6.109 1.00 . A A . 13 MET HG3 1 1 13 6005 1 1 13 MET N N 1.043 -2.568 5.824 1.00 . A A . 13 MET N 1 1 13 6006 1 1 13 MET O O 2.553 0.348 4.617 1.00 . A A . 13 MET O 1 1 13 6007 1 1 13 MET SD S -2.514 -0.871 7.781 1.00 . A A . 13 MET SD 1 1 13 6008 1 1 14 LYS C C 5.476 -0.421 5.651 1.00 . A A . 14 LYS C 1 1 13 6009 1 1 14 LYS CA C 4.455 -0.062 6.733 1.00 . A A . 14 LYS CA 1 1 13 6010 1 1 14 LYS CB C 4.977 -0.420 8.124 1.00 . A A . 14 LYS CB 1 1 13 6011 1 1 14 LYS CD C 4.550 -0.247 10.606 1.00 . A A . 14 LYS CD 1 1 13 6012 1 1 14 LYS CE C 3.245 -0.697 11.283 1.00 . A A . 14 LYS CE 1 1 13 6013 1 1 14 LYS CG C 4.363 0.437 9.239 1.00 . A A . 14 LYS CG 1 1 13 6014 1 1 14 LYS H H 2.847 -1.371 7.222 1.00 . A A . 14 LYS H 1 1 13 6015 1 1 14 LYS HA H 4.344 1.005 6.675 1.00 . A A . 14 LYS HA 1 1 13 6016 1 1 14 LYS HB2 H 4.742 -1.463 8.293 1.00 . A A . 14 LYS HB2 1 1 13 6017 1 1 14 LYS HB3 H 6.064 -0.314 8.154 1.00 . A A . 14 LYS HB3 1 1 13 6018 1 1 14 LYS HD2 H 5.211 -1.109 10.495 1.00 . A A . 14 LYS HD2 1 1 13 6019 1 1 14 LYS HD3 H 5.048 0.453 11.273 1.00 . A A . 14 LYS HD3 1 1 13 6020 1 1 14 LYS HE2 H 3.496 -1.255 12.189 1.00 . A A . 14 LYS HE2 1 1 13 6021 1 1 14 LYS HE3 H 2.684 0.191 11.580 1.00 . A A . 14 LYS HE3 1 1 13 6022 1 1 14 LYS HG2 H 4.862 1.409 9.247 1.00 . A A . 14 LYS HG2 1 1 13 6023 1 1 14 LYS HG3 H 3.307 0.609 9.040 1.00 . A A . 14 LYS HG3 1 1 13 6024 1 1 14 LYS HZ1 H 1.587 -1.871 10.940 1.00 . A A . 14 LYS HZ1 1 1 13 6025 1 1 14 LYS HZ2 H 2.897 -2.311 10.035 1.00 . A A . 14 LYS HZ2 1 1 13 6026 1 1 14 LYS HZ3 H 1.977 -0.928 9.687 1.00 . A A . 14 LYS HZ3 1 1 13 6027 1 1 14 LYS N N 3.129 -0.674 6.553 1.00 . A A . 14 LYS N 1 1 13 6028 1 1 14 LYS NZ N 2.380 -1.517 10.409 1.00 . A A . 14 LYS NZ 1 1 13 6029 1 1 14 LYS O O 6.503 0.246 5.532 1.00 . A A . 14 LYS O 1 1 13 6030 1 1 15 ASP C C 5.109 -1.832 2.390 1.00 . A A . 15 ASP C 1 1 13 6031 1 1 15 ASP CA C 5.926 -1.910 3.701 1.00 . A A . 15 ASP CA 1 1 13 6032 1 1 15 ASP CB C 6.433 -3.324 3.991 1.00 . A A . 15 ASP CB 1 1 13 6033 1 1 15 ASP CG C 7.899 -3.293 4.400 1.00 . A A . 15 ASP CG 1 1 13 6034 1 1 15 ASP H H 4.373 -2.018 5.148 1.00 . A A . 15 ASP H 1 1 13 6035 1 1 15 ASP HA H 6.790 -1.269 3.545 1.00 . A A . 15 ASP HA 1 1 13 6036 1 1 15 ASP HB2 H 5.827 -3.773 4.776 1.00 . A A . 15 ASP HB2 1 1 13 6037 1 1 15 ASP HB3 H 6.328 -3.944 3.102 1.00 . A A . 15 ASP HB3 1 1 13 6038 1 1 15 ASP N N 5.189 -1.465 4.888 1.00 . A A . 15 ASP N 1 1 13 6039 1 1 15 ASP O O 5.691 -1.962 1.312 1.00 . A A . 15 ASP O 1 1 13 6040 1 1 15 ASP OD1 O 8.756 -3.268 3.487 1.00 . A A . 15 ASP OD1 1 1 13 6041 1 1 15 ASP OD2 O 8.200 -3.258 5.622 1.00 . A A . 15 ASP OD2 1 1 13 6042 1 1 16 CYS C C 2.802 0.050 0.967 1.00 . A A . 16 CYS C 1 1 13 6043 1 1 16 CYS CA C 2.852 -1.417 1.400 1.00 . A A . 16 CYS CA 1 1 13 6044 1 1 16 CYS CB C 1.492 -1.977 1.858 1.00 . A A . 16 CYS CB 1 1 13 6045 1 1 16 CYS H H 3.418 -1.552 3.428 1.00 . A A . 16 CYS H 1 1 13 6046 1 1 16 CYS HA H 3.198 -2.012 0.560 1.00 . A A . 16 CYS HA 1 1 13 6047 1 1 16 CYS HB2 H 1.635 -2.893 2.384 1.00 . A A . 16 CYS HB2 1 1 13 6048 1 1 16 CYS HB3 H 1.102 -1.382 2.646 1.00 . A A . 16 CYS HB3 1 1 13 6049 1 1 16 CYS N N 3.798 -1.586 2.493 1.00 . A A . 16 CYS N 1 1 13 6050 1 1 16 CYS O O 3.302 0.397 -0.100 1.00 . A A . 16 CYS O 1 1 13 6051 1 1 16 CYS SG S 0.270 -2.223 0.550 1.00 . A A . 16 CYS SG 1 1 13 6052 1 1 17 THR C C 1.275 2.568 0.185 1.00 . A A . 17 THR C 1 1 13 6053 1 1 17 THR CA C 1.919 2.316 1.564 1.00 . A A . 17 THR CA 1 1 13 6054 1 1 17 THR CB C 3.113 3.225 1.945 1.00 . A A . 17 THR CB 1 1 13 6055 1 1 17 THR CG2 C 4.401 3.003 1.160 1.00 . A A . 17 THR CG2 1 1 13 6056 1 1 17 THR H H 2.009 0.523 2.733 1.00 . A A . 17 THR H 1 1 13 6057 1 1 17 THR HA H 1.151 2.581 2.281 1.00 . A A . 17 THR HA 1 1 13 6058 1 1 17 THR HB H 3.345 3.032 2.992 1.00 . A A . 17 THR HB 1 1 13 6059 1 1 17 THR HG1 H 2.357 4.900 2.661 1.00 . A A . 17 THR HG1 1 1 13 6060 1 1 17 THR HG21 H 4.818 2.028 1.418 1.00 . A A . 17 THR HG21 1 1 13 6061 1 1 17 THR HG22 H 5.128 3.772 1.417 1.00 . A A . 17 THR HG22 1 1 13 6062 1 1 17 THR HG23 H 4.202 3.034 0.092 1.00 . A A . 17 THR HG23 1 1 13 6063 1 1 17 THR N N 2.215 0.900 1.816 1.00 . A A . 17 THR N 1 1 13 6064 1 1 17 THR O O 1.581 3.546 -0.479 1.00 . A A . 17 THR O 1 1 13 6065 1 1 17 THR OG1 O 2.773 4.590 1.841 1.00 . A A . 17 THR OG1 1 1 13 6066 1 1 18 GLU C C -1.644 2.553 -1.733 1.00 . A A . 18 GLU C 1 1 13 6067 1 1 18 GLU CA C -0.256 1.868 -1.636 1.00 . A A . 18 GLU CA 1 1 13 6068 1 1 18 GLU CB C -0.265 0.519 -2.354 1.00 . A A . 18 GLU CB 1 1 13 6069 1 1 18 GLU CD C 1.980 0.730 -3.656 1.00 . A A . 18 GLU CD 1 1 13 6070 1 1 18 GLU CG C 1.109 -0.059 -2.666 1.00 . A A . 18 GLU CG 1 1 13 6071 1 1 18 GLU H H 0.256 0.810 0.178 1.00 . A A . 18 GLU H 1 1 13 6072 1 1 18 GLU HA H 0.385 2.516 -2.231 1.00 . A A . 18 GLU HA 1 1 13 6073 1 1 18 GLU HB2 H -0.770 -0.188 -1.706 1.00 . A A . 18 GLU HB2 1 1 13 6074 1 1 18 GLU HB3 H -0.814 0.596 -3.285 1.00 . A A . 18 GLU HB3 1 1 13 6075 1 1 18 GLU HG2 H 1.633 -0.181 -1.730 1.00 . A A . 18 GLU HG2 1 1 13 6076 1 1 18 GLU HG3 H 0.960 -1.062 -3.076 1.00 . A A . 18 GLU HG3 1 1 13 6077 1 1 18 GLU N N 0.349 1.716 -0.285 1.00 . A A . 18 GLU N 1 1 13 6078 1 1 18 GLU O O -2.251 2.545 -2.806 1.00 . A A . 18 GLU O 1 1 13 6079 1 1 18 GLU OE1 O 1.558 1.764 -4.240 1.00 . A A . 18 GLU OE1 1 1 13 6080 1 1 18 GLU OE2 O 3.077 0.218 -3.974 1.00 . A A . 18 GLU OE2 1 1 13 6081 1 1 19 ARG C C -4.662 2.900 -0.671 1.00 . A A . 19 ARG C 1 1 13 6082 1 1 19 ARG CA C -3.459 3.855 -0.549 1.00 . A A . 19 ARG CA 1 1 13 6083 1 1 19 ARG CB C -3.518 5.017 -1.576 1.00 . A A . 19 ARG CB 1 1 13 6084 1 1 19 ARG CD C -4.517 7.222 -2.376 1.00 . A A . 19 ARG CD 1 1 13 6085 1 1 19 ARG CG C -4.615 6.069 -1.358 1.00 . A A . 19 ARG CG 1 1 13 6086 1 1 19 ARG CZ C -6.180 8.825 -3.383 1.00 . A A . 19 ARG CZ 1 1 13 6087 1 1 19 ARG H H -1.598 3.093 0.184 1.00 . A A . 19 ARG H 1 1 13 6088 1 1 19 ARG HA H -3.505 4.263 0.466 1.00 . A A . 19 ARG HA 1 1 13 6089 1 1 19 ARG HB2 H -2.564 5.527 -1.581 1.00 . A A . 19 ARG HB2 1 1 13 6090 1 1 19 ARG HB3 H -3.666 4.600 -2.574 1.00 . A A . 19 ARG HB3 1 1 13 6091 1 1 19 ARG HD2 H -3.925 8.030 -1.940 1.00 . A A . 19 ARG HD2 1 1 13 6092 1 1 19 ARG HD3 H -4.018 6.870 -3.278 1.00 . A A . 19 ARG HD3 1 1 13 6093 1 1 19 ARG HE H -6.644 7.142 -2.513 1.00 . A A . 19 ARG HE 1 1 13 6094 1 1 19 ARG HG2 H -5.584 5.593 -1.469 1.00 . A A . 19 ARG HG2 1 1 13 6095 1 1 19 ARG HG3 H -4.527 6.454 -0.345 1.00 . A A . 19 ARG HG3 1 1 13 6096 1 1 19 ARG HH11 H -4.330 9.515 -3.743 1.00 . A A . 19 ARG HH11 1 1 13 6097 1 1 19 ARG HH12 H -5.645 10.540 -4.276 1.00 . A A . 19 ARG HH12 1 1 13 6098 1 1 19 ARG HH21 H -8.096 8.319 -3.355 1.00 . A A . 19 ARG HH21 1 1 13 6099 1 1 19 ARG HH22 H -7.750 9.874 -4.105 1.00 . A A . 19 ARG HH22 1 1 13 6100 1 1 19 ARG N N -2.134 3.188 -0.657 1.00 . A A . 19 ARG N 1 1 13 6101 1 1 19 ARG NE N -5.848 7.718 -2.752 1.00 . A A . 19 ARG NE 1 1 13 6102 1 1 19 ARG NH1 N -5.317 9.692 -3.822 1.00 . A A . 19 ARG NH1 1 1 13 6103 1 1 19 ARG NH2 N -7.441 9.049 -3.601 1.00 . A A . 19 ARG NH2 1 1 13 6104 1 1 19 ARG O O -5.815 3.371 -0.552 1.00 . A A . 19 ARG O 1 1 13 6105 1 1 19 ARG OXT O -4.509 1.677 -0.863 1.00 . A A . 19 ARG OXT 1 1 13 6106 2 2 1 DT C1' C 8.919 -0.043 -0.877 1.00 . B B . 20 DT C1' 1 1 13 6107 2 2 1 DT C2 C 9.950 -2.333 -0.996 1.00 . B B . 20 DT C2 1 1 13 6108 2 2 1 DT C2' C 7.599 0.666 -0.543 1.00 . B B . 20 DT C2' 1 1 13 6109 2 2 1 DT C3' C 8.047 1.963 0.133 1.00 . B B . 20 DT C3' 1 1 13 6110 2 2 1 DT C4 C 8.789 -4.232 -2.016 1.00 . B B . 20 DT C4 1 1 13 6111 2 2 1 DT C4' C 9.456 1.600 0.639 1.00 . B B . 20 DT C4' 1 1 13 6112 2 2 1 DT C5 C 7.639 -3.346 -2.194 1.00 . B B . 20 DT C5 1 1 13 6113 2 2 1 DT C5' C 9.685 1.796 2.146 1.00 . B B . 20 DT C5' 1 1 13 6114 2 2 1 DT C6 C 7.683 -2.045 -1.782 1.00 . B B . 20 DT C6 1 1 13 6115 2 2 1 DT C7 C 6.379 -3.896 -2.845 1.00 . B B . 20 DT C7 1 1 13 6116 2 2 1 DT H1' H 9.363 0.461 -1.740 1.00 . B B . 20 DT H1' 1 1 13 6117 2 2 1 DT H2' H 7.021 0.072 0.168 1.00 . B B . 20 DT H2' 1 1 13 6118 2 2 1 DT H2'' H 7.004 0.875 -1.432 1.00 . B B . 20 DT H2'' 1 1 13 6119 2 2 1 DT H3 H 10.705 -4.193 -1.305 1.00 . B B . 20 DT H3 1 1 13 6120 2 2 1 DT H3' H 7.367 2.215 0.949 1.00 . B B . 20 DT H3' 1 1 13 6121 2 2 1 DT H4' H 10.177 2.225 0.108 1.00 . B B . 20 DT H4' 1 1 13 6122 2 2 1 DT H5' H 10.668 1.403 2.401 1.00 . B B . 20 DT H5' 1 1 13 6123 2 2 1 DT H5'' H 9.700 2.868 2.359 1.00 . B B . 20 DT H5'' 1 1 13 6124 2 2 1 DT H6 H 6.802 -1.428 -1.913 1.00 . B B . 20 DT H6 1 1 13 6125 2 2 1 DT H71 H 6.578 -4.116 -3.897 1.00 . B B . 20 DT H71 1 1 13 6126 2 2 1 DT H72 H 5.556 -3.192 -2.774 1.00 . B B . 20 DT H72 1 1 13 6127 2 2 1 DT H73 H 6.093 -4.827 -2.351 1.00 . B B . 20 DT H73 1 1 13 6128 2 2 1 DT HO5' H 8.032 1.860 3.174 1.00 . B B . 20 DT HO5' 1 1 13 6129 2 2 1 DT N1 N 8.814 -1.513 -1.182 1.00 . B B . 20 DT N1 1 1 13 6130 2 2 1 DT N3 N 9.878 -3.633 -1.434 1.00 . B B . 20 DT N3 1 1 13 6131 2 2 1 DT O2 O 11.009 -1.973 -0.480 1.00 . B B . 20 DT O2 1 1 13 6132 2 2 1 DT O3' O 8.088 3.010 -0.829 1.00 . B B . 20 DT O3' 1 1 13 6133 2 2 1 DT O4 O 8.867 -5.423 -2.337 1.00 . B B . 20 DT O4 1 1 13 6134 2 2 1 DT O4' O 9.693 0.248 0.277 1.00 . B B . 20 DT O4' 1 1 13 6135 2 2 1 DT O5' O 8.691 1.165 2.950 1.00 . B B . 20 DT O5' 1 1 13 6136 2 2 2 DA C1' C 4.322 6.224 -2.693 1.00 . B B . 21 DA C1' 1 1 13 6137 2 2 2 DA C2 C 7.893 4.799 -4.890 1.00 . B B . 21 DA C2 1 1 13 6138 2 2 2 DA C2' C 3.648 6.309 -1.317 1.00 . B B . 21 DA C2' 1 1 13 6139 2 2 2 DA C3' C 4.746 6.795 -0.378 1.00 . B B . 21 DA C3' 1 1 13 6140 2 2 2 DA C4 C 5.995 4.558 -3.724 1.00 . B B . 21 DA C4 1 1 13 6141 2 2 2 DA C4' C 5.808 7.387 -1.323 1.00 . B B . 21 DA C4' 1 1 13 6142 2 2 2 DA C5 C 6.138 3.198 -3.626 1.00 . B B . 21 DA C5 1 1 13 6143 2 2 2 DA C5' C 7.215 6.786 -1.125 1.00 . B B . 21 DA C5' 1 1 13 6144 2 2 2 DA C6 C 7.318 2.701 -4.232 1.00 . B B . 21 DA C6 1 1 13 6145 2 2 2 DA C8 C 4.335 3.661 -2.612 1.00 . B B . 21 DA C8 1 1 13 6146 2 2 2 DA H1' H 3.597 6.473 -3.472 1.00 . B B . 21 DA H1' 1 1 13 6147 2 2 2 DA H2 H 8.600 5.425 -5.416 1.00 . B B . 21 DA H2 1 1 13 6148 2 2 2 DA H2' H 3.262 5.365 -0.955 1.00 . B B . 21 DA H2' 1 1 13 6149 2 2 2 DA H2'' H 2.818 6.997 -1.380 1.00 . B B . 21 DA H2'' 1 1 13 6150 2 2 2 DA H3' H 5.160 5.900 0.086 1.00 . B B . 21 DA H3' 1 1 13 6151 2 2 2 DA H4' H 5.893 8.458 -1.133 1.00 . B B . 21 DA H4' 1 1 13 6152 2 2 2 DA H5' H 7.861 7.113 -1.940 1.00 . B B . 21 DA H5' 1 1 13 6153 2 2 2 DA H5'' H 7.620 7.179 -0.193 1.00 . B B . 21 DA H5'' 1 1 13 6154 2 2 2 DA H61 H 8.500 1.198 -4.842 1.00 . B B . 21 DA H61 1 1 13 6155 2 2 2 DA H62 H 7.020 0.732 -3.979 1.00 . B B . 21 DA H62 1 1 13 6156 2 2 2 DA H8 H 3.405 3.608 -2.049 1.00 . B B . 21 DA H8 1 1 13 6157 2 2 2 DA N1 N 8.194 3.511 -4.830 1.00 . B B . 21 DA N1 1 1 13 6158 2 2 2 DA N3 N 6.823 5.416 -4.400 1.00 . B B . 21 DA N3 1 1 13 6159 2 2 2 DA N6 N 7.678 1.434 -4.300 1.00 . B B . 21 DA N6 1 1 13 6160 2 2 2 DA N7 N 5.044 2.620 -2.962 1.00 . B B . 21 DA N7 1 1 13 6161 2 2 2 DA N9 N 4.867 4.870 -2.987 1.00 . B B . 21 DA N9 1 1 13 6162 2 2 2 DA O3' O 4.326 7.680 0.668 1.00 . B B . 21 DA O3' 1 1 13 6163 2 2 2 DA O4' O 5.335 7.220 -2.653 1.00 . B B . 21 DA O4' 1 1 13 6164 2 2 2 DA O5' O 7.200 5.366 -1.073 1.00 . B B . 21 DA O5' 1 1 13 6165 2 2 2 DA OP1 O 9.660 4.886 -1.147 1.00 . B B . 21 DA OP1 1 1 13 6166 2 2 2 DA OP2 O 8.304 4.731 1.022 1.00 . B B . 21 DA OP2 1 1 13 6167 2 2 2 DA P P 8.400 4.531 -0.446 1.00 . B B . 21 DA P 1 1 13 6168 2 2 3 DC C1' C -1.308 7.553 0.198 1.00 . B B . 22 DC C1' 1 1 13 6169 2 2 3 DC C2 C -0.736 8.043 -2.229 1.00 . B B . 22 DC C2 1 1 13 6170 2 2 3 DC C2' C -0.681 7.055 1.525 1.00 . B B . 22 DC C2' 1 1 13 6171 2 2 3 DC C3' C -0.239 8.324 2.270 1.00 . B B . 22 DC C3' 1 1 13 6172 2 2 3 DC C4 C 0.554 6.613 -3.484 1.00 . B B . 22 DC C4 1 1 13 6173 2 2 3 DC C4' C -0.357 9.411 1.206 1.00 . B B . 22 DC C4' 1 1 13 6174 2 2 3 DC C5 C 0.604 5.672 -2.438 1.00 . B B . 22 DC C5 1 1 13 6175 2 2 3 DC C5' C 0.933 9.694 0.416 1.00 . B B . 22 DC C5' 1 1 13 6176 2 2 3 DC C6 C 0.043 6.010 -1.247 1.00 . B B . 22 DC C6 1 1 13 6177 2 2 3 DC H1' H -2.316 7.143 0.118 1.00 . B B . 22 DC H1' 1 1 13 6178 2 2 3 DC H2' H 0.175 6.387 1.365 1.00 . B B . 22 DC H2' 1 1 13 6179 2 2 3 DC H2'' H -1.429 6.526 2.111 1.00 . B B . 22 DC H2'' 1 1 13 6180 2 2 3 DC H3' H 0.792 8.219 2.595 1.00 . B B . 22 DC H3' 1 1 13 6181 2 2 3 DC H4' H -0.658 10.346 1.677 1.00 . B B . 22 DC H4' 1 1 13 6182 2 2 3 DC H41 H 1.082 7.074 -5.332 1.00 . B B . 22 DC H41 1 1 13 6183 2 2 3 DC H42 H 1.633 5.494 -4.756 1.00 . B B . 22 DC H42 1 1 13 6184 2 2 3 DC H5 H 1.098 4.719 -2.559 1.00 . B B . 22 DC H5 1 1 13 6185 2 2 3 DC H5' H 0.689 9.885 -0.628 1.00 . B B . 22 DC H5' 1 1 13 6186 2 2 3 DC H5'' H 1.352 10.618 0.819 1.00 . B B . 22 DC H5'' 1 1 13 6187 2 2 3 DC H6 H 0.081 5.312 -0.429 1.00 . B B . 22 DC H6 1 1 13 6188 2 2 3 DC N1 N -0.587 7.225 -1.083 1.00 . B B . 22 DC N1 1 1 13 6189 2 2 3 DC N3 N -0.094 7.753 -3.385 1.00 . B B . 22 DC N3 1 1 13 6190 2 2 3 DC N4 N 1.158 6.373 -4.608 1.00 . B B . 22 DC N4 1 1 13 6191 2 2 3 DC O2 O -1.497 9.008 -2.275 1.00 . B B . 22 DC O2 1 1 13 6192 2 2 3 DC O3' O -1.093 8.698 3.349 1.00 . B B . 22 DC O3' 1 1 13 6193 2 2 3 DC O4' O -1.417 8.956 0.387 1.00 . B B . 22 DC O4' 1 1 13 6194 2 2 3 DC O5' O 1.909 8.662 0.500 1.00 . B B . 22 DC O5' 1 1 13 6195 2 2 3 DC OP1 O 3.717 9.601 -0.879 1.00 . B B . 22 DC OP1 1 1 13 6196 2 2 3 DC OP2 O 3.704 9.893 1.637 1.00 . B B . 22 DC OP2 1 1 13 6197 2 2 3 DC P P 3.461 9.026 0.458 1.00 . B B . 22 DC P 1 1 13 6198 2 2 4 DG C1' C -0.016 3.517 4.843 1.00 . B B . 23 DG C1' 1 1 13 6199 2 2 4 DG C2 C 3.239 6.589 4.173 1.00 . B B . 23 DG C2 1 1 13 6200 2 2 4 DG C2' C -0.871 3.011 6.016 1.00 . B B . 23 DG C2' 1 1 13 6201 2 2 4 DG C3' C -1.733 4.203 6.399 1.00 . B B . 23 DG C3' 1 1 13 6202 2 2 4 DG C4 C 2.327 4.706 5.009 1.00 . B B . 23 DG C4 1 1 13 6203 2 2 4 DG C4' C -1.834 4.936 5.062 1.00 . B B . 23 DG C4' 1 1 13 6204 2 2 4 DG C5 C 3.543 4.280 5.504 1.00 . B B . 23 DG C5 1 1 13 6205 2 2 4 DG C5' C -2.016 6.452 5.130 1.00 . B B . 23 DG C5' 1 1 13 6206 2 2 4 DG C6 C 4.732 5.038 5.220 1.00 . B B . 23 DG C6 1 1 13 6207 2 2 4 DG C8 C 2.127 2.802 6.045 1.00 . B B . 23 DG C8 1 1 13 6208 2 2 4 DG H1 H 5.273 6.718 4.203 1.00 . B B . 23 DG H1 1 1 13 6209 2 2 4 DG H1' H -0.081 2.802 4.020 1.00 . B B . 23 DG H1' 1 1 13 6210 2 2 4 DG H2' H -0.290 2.722 6.886 1.00 . B B . 23 DG H2' 1 1 13 6211 2 2 4 DG H2'' H -1.456 2.134 5.711 1.00 . B B . 23 DG H2'' 1 1 13 6212 2 2 4 DG H21 H 3.898 8.388 3.523 1.00 . B B . 23 DG H21 1 1 13 6213 2 2 4 DG H22 H 2.155 8.131 3.691 1.00 . B B . 23 DG H22 1 1 13 6214 2 2 4 DG H3' H -1.206 4.829 7.120 1.00 . B B . 23 DG H3' 1 1 13 6215 2 2 4 DG H4' H -2.677 4.509 4.523 1.00 . B B . 23 DG H4' 1 1 13 6216 2 2 4 DG H5' H -2.426 6.761 4.169 1.00 . B B . 23 DG H5' 1 1 13 6217 2 2 4 DG H5'' H -2.739 6.713 5.901 1.00 . B B . 23 DG H5'' 1 1 13 6218 2 2 4 DG H8 H 1.683 1.894 6.425 1.00 . B B . 23 DG H8 1 1 13 6219 2 2 4 DG N1 N 4.482 6.189 4.515 1.00 . B B . 23 DG N1 1 1 13 6220 2 2 4 DG N2 N 3.106 7.798 3.734 1.00 . B B . 23 DG N2 1 1 13 6221 2 2 4 DG N3 N 2.125 5.876 4.340 1.00 . B B . 23 DG N3 1 1 13 6222 2 2 4 DG N7 N 3.384 3.101 6.218 1.00 . B B . 23 DG N7 1 1 13 6223 2 2 4 DG N9 N 1.408 3.698 5.292 1.00 . B B . 23 DG N9 1 1 13 6224 2 2 4 DG O3' O -2.945 3.684 6.924 1.00 . B B . 23 DG O3' 1 1 13 6225 2 2 4 DG O4' O -0.641 4.677 4.342 1.00 . B B . 23 DG O4' 1 1 13 6226 2 2 4 DG O5' O -0.788 7.138 5.342 1.00 . B B . 23 DG O5' 1 1 13 6227 2 2 4 DG O6 O 5.904 4.786 5.510 1.00 . B B . 23 DG O6 1 1 13 6228 2 2 4 DG OP1 O -1.553 9.463 5.667 1.00 . B B . 23 DG OP1 1 1 13 6229 2 2 4 DG OP2 O 0.820 9.017 4.905 1.00 . B B . 23 DG OP2 1 1 13 6230 2 2 4 DG P P -0.611 8.646 4.871 1.00 . B B . 23 DG P 1 1 13 6231 2 2 5 DC C1' C -6.761 4.961 2.068 1.00 . B B . 24 DC C1' 1 1 13 6232 2 2 5 DC C2 C -9.124 4.089 1.642 1.00 . B B . 24 DC C2 1 1 13 6233 2 2 5 DC C2' C -6.190 6.346 2.435 1.00 . B B . 24 DC C2' 1 1 13 6234 2 2 5 DC C3' C -5.938 6.276 3.934 1.00 . B B . 24 DC C3' 1 1 13 6235 2 2 5 DC C4 C -10.566 5.246 0.278 1.00 . B B . 24 DC C4 1 1 13 6236 2 2 5 DC C4' C -5.672 4.793 4.082 1.00 . B B . 24 DC C4' 1 1 13 6237 2 2 5 DC C5 C -9.554 6.151 -0.114 1.00 . B B . 24 DC C5 1 1 13 6238 2 2 5 DC C5' C -5.675 4.267 5.514 1.00 . B B . 24 DC C5' 1 1 13 6239 2 2 5 DC C6 C -8.325 6.001 0.436 1.00 . B B . 24 DC C6 1 1 13 6240 2 2 5 DC H1' H -6.070 4.480 1.373 1.00 . B B . 24 DC H1' 1 1 13 6241 2 2 5 DC H2' H -6.863 7.165 2.209 1.00 . B B . 24 DC H2' 1 1 13 6242 2 2 5 DC H2'' H -5.250 6.496 1.903 1.00 . B B . 24 DC H2'' 1 1 13 6243 2 2 5 DC H3' H -6.838 6.511 4.496 1.00 . B B . 24 DC H3' 1 1 13 6244 2 2 5 DC H4' H -4.708 4.576 3.635 1.00 . B B . 24 DC H4' 1 1 13 6245 2 2 5 DC H41 H -12.523 4.893 0.278 1.00 . B B . 24 DC H41 1 1 13 6246 2 2 5 DC H42 H -11.959 6.170 -0.802 1.00 . B B . 24 DC H42 1 1 13 6247 2 2 5 DC H5 H -9.731 6.946 -0.824 1.00 . B B . 24 DC H5 1 1 13 6248 2 2 5 DC H5' H -6.687 4.200 5.893 1.00 . B B . 24 DC H5' 1 1 13 6249 2 2 5 DC H5'' H -5.239 3.277 5.504 1.00 . B B . 24 DC H5'' 1 1 13 6250 2 2 5 DC H6 H -7.529 6.674 0.146 1.00 . B B . 24 DC H6 1 1 13 6251 2 2 5 DC N1 N -8.099 5.029 1.387 1.00 . B B . 24 DC N1 1 1 13 6252 2 2 5 DC N3 N -10.367 4.250 1.119 1.00 . B B . 24 DC N3 1 1 13 6253 2 2 5 DC N4 N -11.773 5.411 -0.164 1.00 . B B . 24 DC N4 1 1 13 6254 2 2 5 DC O2 O -8.982 3.101 2.352 1.00 . B B . 24 DC O2 1 1 13 6255 2 2 5 DC O3' O -4.853 7.105 4.297 1.00 . B B . 24 DC O3' 1 1 13 6256 2 2 5 DC O4' O -6.719 4.254 3.303 1.00 . B B . 24 DC O4' 1 1 13 6257 2 2 5 DC O5' O -4.907 5.117 6.346 1.00 . B B . 24 DC O5' 1 1 13 6258 2 2 5 DC OP1 O -3.387 5.729 8.245 1.00 . B B . 24 DC OP1 1 1 13 6259 2 2 5 DC OP2 O -4.937 3.711 8.379 1.00 . B B . 24 DC OP2 1 1 13 6260 2 2 5 DC P P -4.064 4.595 7.576 1.00 . B B . 24 DC P 1 1 13 6261 2 2 6 DC C1' C -9.876 10.277 2.848 1.00 . B B . 25 DC C1' 1 1 13 6262 2 2 6 DC C2 C -9.208 12.497 1.837 1.00 . B B . 25 DC C2 1 1 13 6263 2 2 6 DC C2' C -9.731 8.787 2.507 1.00 . B B . 25 DC C2' 1 1 13 6264 2 2 6 DC C3' C -9.499 8.148 3.874 1.00 . B B . 25 DC C3' 1 1 13 6265 2 2 6 DC C4 C -9.532 12.946 -0.396 1.00 . B B . 25 DC C4 1 1 13 6266 2 2 6 DC C4' C -8.925 9.309 4.695 1.00 . B B . 25 DC C4' 1 1 13 6267 2 2 6 DC C5 C -10.136 11.686 -0.617 1.00 . B B . 25 DC C5 1 1 13 6268 2 2 6 DC C5' C -7.545 9.054 5.299 1.00 . B B . 25 DC C5' 1 1 13 6269 2 2 6 DC C6 C -10.235 10.839 0.438 1.00 . B B . 25 DC C6 1 1 13 6270 2 2 6 DC H1' H -10.851 10.445 3.313 1.00 . B B . 25 DC H1' 1 1 13 6271 2 2 6 DC H2' H -8.854 8.632 1.877 1.00 . B B . 25 DC H2' 1 1 13 6272 2 2 6 DC H2'' H -10.622 8.383 2.029 1.00 . B B . 25 DC H2'' 1 1 13 6273 2 2 6 DC H3' H -8.801 7.312 3.810 1.00 . B B . 25 DC H3' 1 1 13 6274 2 2 6 DC H4' H -9.622 9.520 5.504 1.00 . B B . 25 DC H4' 1 1 13 6275 2 2 6 DC H41 H -9.057 14.710 -1.107 1.00 . B B . 25 DC H41 1 1 13 6276 2 2 6 DC H42 H -9.785 13.597 -2.264 1.00 . B B . 25 DC H42 1 1 13 6277 2 2 6 DC H5 H -10.522 11.393 -1.580 1.00 . B B . 25 DC H5 1 1 13 6278 2 2 6 DC H5' H -7.309 9.875 5.975 1.00 . B B . 25 DC H5' 1 1 13 6279 2 2 6 DC H5'' H -7.571 8.125 5.865 1.00 . B B . 25 DC H5'' 1 1 13 6280 2 2 6 DC H6 H -10.704 9.872 0.306 1.00 . B B . 25 DC H6 1 1 13 6281 2 2 6 DC HO3' H -10.992 6.866 4.054 1.00 . B B . 25 DC HO3' 1 1 13 6282 2 2 6 DC N1 N -9.744 11.204 1.674 1.00 . B B . 25 DC N1 1 1 13 6283 2 2 6 DC N3 N -9.059 13.328 0.775 1.00 . B B . 25 DC N3 1 1 13 6284 2 2 6 DC N4 N -9.340 13.782 -1.371 1.00 . B B . 25 DC N4 1 1 13 6285 2 2 6 DC O2 O -8.811 12.937 2.916 1.00 . B B . 25 DC O2 1 1 13 6286 2 2 6 DC O3' O -10.746 7.744 4.422 1.00 . B B . 25 DC O3' 1 1 13 6287 2 2 6 DC O4' O -8.865 10.431 3.830 1.00 . B B . 25 DC O4' 1 1 13 6288 2 2 6 DC O5' O -6.561 8.986 4.278 1.00 . B B . 25 DC O5' 1 1 13 6289 2 2 6 DC OP1 O -4.287 9.390 3.508 1.00 . B B . 25 DC OP1 1 1 13 6290 2 2 6 DC OP2 O -4.721 8.970 5.974 1.00 . B B . 25 DC OP2 1 1 13 6291 2 2 6 DC P P -5.028 8.660 4.556 1.00 . B B . 25 DC P 1 1 13 6292 3 3 1 ZN ZN ZN 0.572 -3.960 -0.339 1.00 . C A . 26 ZN ZN 1 1 14 6293 1 1 1 LYS C C -4.171 -11.680 5.511 1.00 . A A . 1 LYS C 1 1 14 6294 1 1 1 LYS CA C -5.614 -11.847 6.034 1.00 . A A . 1 LYS CA 1 1 14 6295 1 1 1 LYS CB C -5.977 -13.333 6.299 1.00 . A A . 1 LYS CB 1 1 14 6296 1 1 1 LYS CD C -7.284 -14.543 4.377 1.00 . A A . 1 LYS CD 1 1 14 6297 1 1 1 LYS CE C -8.237 -15.334 5.284 1.00 . A A . 1 LYS CE 1 1 14 6298 1 1 1 LYS CG C -5.938 -14.274 5.068 1.00 . A A . 1 LYS CG 1 1 14 6299 1 1 1 LYS H1 H -6.588 -11.492 4.215 1.00 . A A . 1 LYS H1 1 1 14 6300 1 1 1 LYS H2 H -6.530 -10.179 5.206 1.00 . A A . 1 LYS H2 1 1 14 6301 1 1 1 LYS H3 H -7.566 -11.376 5.543 1.00 . A A . 1 LYS H3 1 1 14 6302 1 1 1 LYS HA H -5.630 -11.345 7.005 1.00 . A A . 1 LYS HA 1 1 14 6303 1 1 1 LYS HB2 H -5.268 -13.713 7.037 1.00 . A A . 1 LYS HB2 1 1 14 6304 1 1 1 LYS HB3 H -6.960 -13.377 6.774 1.00 . A A . 1 LYS HB3 1 1 14 6305 1 1 1 LYS HD2 H -7.748 -13.602 4.085 1.00 . A A . 1 LYS HD2 1 1 14 6306 1 1 1 LYS HD3 H -7.089 -15.122 3.474 1.00 . A A . 1 LYS HD3 1 1 14 6307 1 1 1 LYS HE2 H -7.735 -16.236 5.642 1.00 . A A . 1 LYS HE2 1 1 14 6308 1 1 1 LYS HE3 H -8.485 -14.718 6.149 1.00 . A A . 1 LYS HE3 1 1 14 6309 1 1 1 LYS HG2 H -5.240 -13.877 4.327 1.00 . A A . 1 LYS HG2 1 1 14 6310 1 1 1 LYS HG3 H -5.537 -15.233 5.397 1.00 . A A . 1 LYS HG3 1 1 14 6311 1 1 1 LYS HZ1 H -9.373 -16.564 4.044 1.00 . A A . 1 LYS HZ1 1 1 14 6312 1 1 1 LYS HZ2 H -9.770 -14.998 3.907 1.00 . A A . 1 LYS HZ2 1 1 14 6313 1 1 1 LYS HZ3 H -10.261 -15.819 5.206 1.00 . A A . 1 LYS HZ3 1 1 14 6314 1 1 1 LYS N N -6.634 -11.191 5.182 1.00 . A A . 1 LYS N 1 1 14 6315 1 1 1 LYS NZ N -9.477 -15.706 4.573 1.00 . A A . 1 LYS NZ 1 1 14 6316 1 1 1 LYS O O -3.351 -12.580 5.680 1.00 . A A . 1 LYS O 1 1 14 6317 1 1 2 GLY C C -2.252 -8.784 4.102 1.00 . A A . 2 GLY C 1 1 14 6318 1 1 2 GLY CA C -2.515 -10.279 4.297 1.00 . A A . 2 GLY CA 1 1 14 6319 1 1 2 GLY H H -4.522 -9.807 4.807 1.00 . A A . 2 GLY H 1 1 14 6320 1 1 2 GLY HA2 H -1.736 -10.675 4.951 1.00 . A A . 2 GLY HA2 1 1 14 6321 1 1 2 GLY HA3 H -2.450 -10.786 3.341 1.00 . A A . 2 GLY HA3 1 1 14 6322 1 1 2 GLY N N -3.834 -10.553 4.877 1.00 . A A . 2 GLY N 1 1 14 6323 1 1 2 GLY O O -2.326 -8.028 5.074 1.00 . A A . 2 GLY O 1 1 14 6324 1 1 3 CYS C C -3.035 -6.129 2.872 1.00 . A A . 3 CYS C 1 1 14 6325 1 1 3 CYS CA C -1.748 -6.917 2.569 1.00 . A A . 3 CYS CA 1 1 14 6326 1 1 3 CYS CB C -1.317 -6.694 1.103 1.00 . A A . 3 CYS CB 1 1 14 6327 1 1 3 CYS H H -1.967 -9.001 2.100 1.00 . A A . 3 CYS H 1 1 14 6328 1 1 3 CYS HA H -0.952 -6.548 3.216 1.00 . A A . 3 CYS HA 1 1 14 6329 1 1 3 CYS HB2 H -0.892 -7.620 0.728 1.00 . A A . 3 CYS HB2 1 1 14 6330 1 1 3 CYS HB3 H -2.211 -6.491 0.516 1.00 . A A . 3 CYS HB3 1 1 14 6331 1 1 3 CYS N N -1.946 -8.348 2.868 1.00 . A A . 3 CYS N 1 1 14 6332 1 1 3 CYS O O -4.154 -6.608 2.653 1.00 . A A . 3 CYS O 1 1 14 6333 1 1 3 CYS SG S -0.127 -5.305 0.882 1.00 . A A . 3 CYS SG 1 1 14 6334 1 1 4 TRP C C -4.780 -3.570 2.444 1.00 . A A . 4 TRP C 1 1 14 6335 1 1 4 TRP CA C -3.917 -3.945 3.654 1.00 . A A . 4 TRP CA 1 1 14 6336 1 1 4 TRP CB C -3.214 -2.717 4.236 1.00 . A A . 4 TRP CB 1 1 14 6337 1 1 4 TRP CD1 C -5.148 -1.064 4.489 1.00 . A A . 4 TRP CD1 1 1 14 6338 1 1 4 TRP CD2 C -3.290 -0.205 3.578 1.00 . A A . 4 TRP CD2 1 1 14 6339 1 1 4 TRP CE2 C -4.247 0.842 3.613 1.00 . A A . 4 TRP CE2 1 1 14 6340 1 1 4 TRP CE3 C -2.017 0.078 3.061 1.00 . A A . 4 TRP CE3 1 1 14 6341 1 1 4 TRP CG C -3.890 -1.401 4.125 1.00 . A A . 4 TRP CG 1 1 14 6342 1 1 4 TRP CH2 C -2.680 2.369 2.574 1.00 . A A . 4 TRP CH2 1 1 14 6343 1 1 4 TRP CZ2 C -3.940 2.119 3.140 1.00 . A A . 4 TRP CZ2 1 1 14 6344 1 1 4 TRP CZ3 C -1.724 1.339 2.543 1.00 . A A . 4 TRP CZ3 1 1 14 6345 1 1 4 TRP H H -1.900 -4.625 3.509 1.00 . A A . 4 TRP H 1 1 14 6346 1 1 4 TRP HA H -4.577 -4.372 4.415 1.00 . A A . 4 TRP HA 1 1 14 6347 1 1 4 TRP HB2 H -2.982 -2.866 5.277 1.00 . A A . 4 TRP HB2 1 1 14 6348 1 1 4 TRP HB3 H -2.253 -2.610 3.733 1.00 . A A . 4 TRP HB3 1 1 14 6349 1 1 4 TRP HD1 H -5.879 -1.737 4.926 1.00 . A A . 4 TRP HD1 1 1 14 6350 1 1 4 TRP HE1 H -6.263 0.723 4.310 1.00 . A A . 4 TRP HE1 1 1 14 6351 1 1 4 TRP HE3 H -1.261 -0.690 3.040 1.00 . A A . 4 TRP HE3 1 1 14 6352 1 1 4 TRP HH2 H -2.443 3.351 2.193 1.00 . A A . 4 TRP HH2 1 1 14 6353 1 1 4 TRP HZ2 H -4.673 2.892 3.221 1.00 . A A . 4 TRP HZ2 1 1 14 6354 1 1 4 TRP HZ3 H -0.749 1.492 2.141 1.00 . A A . 4 TRP HZ3 1 1 14 6355 1 1 4 TRP N N -2.856 -4.896 3.318 1.00 . A A . 4 TRP N 1 1 14 6356 1 1 4 TRP NE1 N -5.367 0.266 4.180 1.00 . A A . 4 TRP NE1 1 1 14 6357 1 1 4 TRP O O -6.007 -3.550 2.563 1.00 . A A . 4 TRP O 1 1 14 6358 1 1 5 LYS C C -4.685 -3.832 -1.120 1.00 . A A . 5 LYS C 1 1 14 6359 1 1 5 LYS CA C -4.810 -2.859 0.058 1.00 . A A . 5 LYS CA 1 1 14 6360 1 1 5 LYS CB C -4.321 -1.426 -0.248 1.00 . A A . 5 LYS CB 1 1 14 6361 1 1 5 LYS CD C -2.820 -1.445 -2.382 1.00 . A A . 5 LYS CD 1 1 14 6362 1 1 5 LYS CE C -3.203 -0.156 -3.113 1.00 . A A . 5 LYS CE 1 1 14 6363 1 1 5 LYS CG C -2.914 -1.316 -0.846 1.00 . A A . 5 LYS CG 1 1 14 6364 1 1 5 LYS H H -3.138 -3.331 1.320 1.00 . A A . 5 LYS H 1 1 14 6365 1 1 5 LYS HA H -5.879 -2.786 0.252 1.00 . A A . 5 LYS HA 1 1 14 6366 1 1 5 LYS HB2 H -5.017 -0.923 -0.903 1.00 . A A . 5 LYS HB2 1 1 14 6367 1 1 5 LYS HB3 H -4.326 -0.859 0.683 1.00 . A A . 5 LYS HB3 1 1 14 6368 1 1 5 LYS HD2 H -1.789 -1.675 -2.650 1.00 . A A . 5 LYS HD2 1 1 14 6369 1 1 5 LYS HD3 H -3.438 -2.259 -2.753 1.00 . A A . 5 LYS HD3 1 1 14 6370 1 1 5 LYS HE2 H -4.275 0.033 -3.006 1.00 . A A . 5 LYS HE2 1 1 14 6371 1 1 5 LYS HE3 H -2.676 0.682 -2.654 1.00 . A A . 5 LYS HE3 1 1 14 6372 1 1 5 LYS HG2 H -2.478 -0.355 -0.562 1.00 . A A . 5 LYS HG2 1 1 14 6373 1 1 5 LYS HG3 H -2.300 -2.092 -0.405 1.00 . A A . 5 LYS HG3 1 1 14 6374 1 1 5 LYS HZ1 H -1.892 -0.566 -4.679 1.00 . A A . 5 LYS HZ1 1 1 14 6375 1 1 5 LYS HZ2 H -2.893 0.695 -4.989 1.00 . A A . 5 LYS HZ2 1 1 14 6376 1 1 5 LYS HZ3 H -3.453 -0.880 -5.044 1.00 . A A . 5 LYS HZ3 1 1 14 6377 1 1 5 LYS N N -4.146 -3.321 1.288 1.00 . A A . 5 LYS N 1 1 14 6378 1 1 5 LYS NZ N -2.843 -0.228 -4.551 1.00 . A A . 5 LYS NZ 1 1 14 6379 1 1 5 LYS O O -5.573 -3.845 -1.976 1.00 . A A . 5 LYS O 1 1 14 6380 1 1 6 CYS C C -3.902 -6.775 -2.456 1.00 . A A . 6 CYS C 1 1 14 6381 1 1 6 CYS CA C -3.197 -5.411 -2.348 1.00 . A A . 6 CYS CA 1 1 14 6382 1 1 6 CYS CB C -1.676 -5.624 -2.290 1.00 . A A . 6 CYS CB 1 1 14 6383 1 1 6 CYS H H -2.875 -4.457 -0.509 1.00 . A A . 6 CYS H 1 1 14 6384 1 1 6 CYS HA H -3.419 -4.841 -3.248 1.00 . A A . 6 CYS HA 1 1 14 6385 1 1 6 CYS HB2 H -1.439 -6.407 -1.568 1.00 . A A . 6 CYS HB2 1 1 14 6386 1 1 6 CYS HB3 H -1.350 -5.968 -3.272 1.00 . A A . 6 CYS HB3 1 1 14 6387 1 1 6 CYS N N -3.603 -4.619 -1.181 1.00 . A A . 6 CYS N 1 1 14 6388 1 1 6 CYS O O -4.340 -7.186 -3.532 1.00 . A A . 6 CYS O 1 1 14 6389 1 1 6 CYS SG S -0.810 -4.103 -1.838 1.00 . A A . 6 CYS SG 1 1 14 6390 1 1 7 GLY C C -3.863 -10.020 -1.268 1.00 . A A . 7 GLY C 1 1 14 6391 1 1 7 GLY CA C -4.699 -8.744 -1.148 1.00 . A A . 7 GLY CA 1 1 14 6392 1 1 7 GLY H H -3.609 -7.034 -0.504 1.00 . A A . 7 GLY H 1 1 14 6393 1 1 7 GLY HA2 H -5.127 -8.739 -0.149 1.00 . A A . 7 GLY HA2 1 1 14 6394 1 1 7 GLY HA3 H -5.499 -8.798 -1.888 1.00 . A A . 7 GLY HA3 1 1 14 6395 1 1 7 GLY N N -3.976 -7.479 -1.325 1.00 . A A . 7 GLY N 1 1 14 6396 1 1 7 GLY O O -4.375 -11.019 -1.777 1.00 . A A . 7 GLY O 1 1 14 6397 1 1 8 LYS C C -0.633 -11.500 -0.180 1.00 . A A . 8 LYS C 1 1 14 6398 1 1 8 LYS CA C -1.590 -11.003 -1.268 1.00 . A A . 8 LYS CA 1 1 14 6399 1 1 8 LYS CB C -0.769 -10.499 -2.465 1.00 . A A . 8 LYS CB 1 1 14 6400 1 1 8 LYS CD C -0.742 -9.445 -4.803 1.00 . A A . 8 LYS CD 1 1 14 6401 1 1 8 LYS CE C -0.077 -8.069 -4.676 1.00 . A A . 8 LYS CE 1 1 14 6402 1 1 8 LYS CG C -1.595 -9.870 -3.602 1.00 . A A . 8 LYS CG 1 1 14 6403 1 1 8 LYS H H -2.247 -9.104 -0.494 1.00 . A A . 8 LYS H 1 1 14 6404 1 1 8 LYS HA H -2.142 -11.893 -1.570 1.00 . A A . 8 LYS HA 1 1 14 6405 1 1 8 LYS HB2 H -0.052 -9.784 -2.070 1.00 . A A . 8 LYS HB2 1 1 14 6406 1 1 8 LYS HB3 H -0.211 -11.343 -2.866 1.00 . A A . 8 LYS HB3 1 1 14 6407 1 1 8 LYS HD2 H 0.010 -10.206 -5.006 1.00 . A A . 8 LYS HD2 1 1 14 6408 1 1 8 LYS HD3 H -1.409 -9.392 -5.657 1.00 . A A . 8 LYS HD3 1 1 14 6409 1 1 8 LYS HE2 H 0.503 -7.898 -5.585 1.00 . A A . 8 LYS HE2 1 1 14 6410 1 1 8 LYS HE3 H -0.851 -7.302 -4.635 1.00 . A A . 8 LYS HE3 1 1 14 6411 1 1 8 LYS HG2 H -2.317 -10.610 -3.941 1.00 . A A . 8 LYS HG2 1 1 14 6412 1 1 8 LYS HG3 H -2.136 -8.996 -3.248 1.00 . A A . 8 LYS HG3 1 1 14 6413 1 1 8 LYS HZ1 H 1.517 -8.716 -3.530 1.00 . A A . 8 LYS HZ1 1 1 14 6414 1 1 8 LYS HZ2 H 0.329 -8.017 -2.628 1.00 . A A . 8 LYS HZ2 1 1 14 6415 1 1 8 LYS HZ3 H 1.367 -7.110 -3.515 1.00 . A A . 8 LYS HZ3 1 1 14 6416 1 1 8 LYS N N -2.576 -9.975 -0.883 1.00 . A A . 8 LYS N 1 1 14 6417 1 1 8 LYS NZ N 0.826 -7.967 -3.512 1.00 . A A . 8 LYS NZ 1 1 14 6418 1 1 8 LYS O O 0.355 -12.146 -0.510 1.00 . A A . 8 LYS O 1 1 14 6419 1 1 9 GLU C C 1.517 -11.192 2.015 1.00 . A A . 9 GLU C 1 1 14 6420 1 1 9 GLU CA C 0.028 -11.560 2.208 1.00 . A A . 9 GLU CA 1 1 14 6421 1 1 9 GLU CB C -0.123 -13.058 2.511 1.00 . A A . 9 GLU CB 1 1 14 6422 1 1 9 GLU CD C -1.684 -15.035 2.712 1.00 . A A . 9 GLU CD 1 1 14 6423 1 1 9 GLU CG C -1.540 -13.516 2.847 1.00 . A A . 9 GLU CG 1 1 14 6424 1 1 9 GLU H H -1.806 -10.853 1.285 1.00 . A A . 9 GLU H 1 1 14 6425 1 1 9 GLU HA H -0.274 -11.018 3.100 1.00 . A A . 9 GLU HA 1 1 14 6426 1 1 9 GLU HB2 H 0.231 -13.615 1.647 1.00 . A A . 9 GLU HB2 1 1 14 6427 1 1 9 GLU HB3 H 0.507 -13.304 3.365 1.00 . A A . 9 GLU HB3 1 1 14 6428 1 1 9 GLU HG2 H -1.762 -13.193 3.859 1.00 . A A . 9 GLU HG2 1 1 14 6429 1 1 9 GLU HG3 H -2.248 -13.039 2.174 1.00 . A A . 9 GLU HG3 1 1 14 6430 1 1 9 GLU N N -0.869 -11.173 1.088 1.00 . A A . 9 GLU N 1 1 14 6431 1 1 9 GLU O O 2.410 -11.877 2.522 1.00 . A A . 9 GLU O 1 1 14 6432 1 1 9 GLU OE1 O -0.690 -15.780 2.898 1.00 . A A . 9 GLU OE1 1 1 14 6433 1 1 9 GLU OE2 O -2.763 -15.510 2.284 1.00 . A A . 9 GLU OE2 1 1 14 6434 1 1 10 GLY C C 3.899 -9.112 2.098 1.00 . A A . 10 GLY C 1 1 14 6435 1 1 10 GLY CA C 3.190 -9.760 0.918 1.00 . A A . 10 GLY CA 1 1 14 6436 1 1 10 GLY H H 1.068 -9.548 0.922 1.00 . A A . 10 GLY H 1 1 14 6437 1 1 10 GLY HA2 H 3.742 -10.646 0.619 1.00 . A A . 10 GLY HA2 1 1 14 6438 1 1 10 GLY HA3 H 3.183 -9.058 0.086 1.00 . A A . 10 GLY HA3 1 1 14 6439 1 1 10 GLY N N 1.815 -10.129 1.261 1.00 . A A . 10 GLY N 1 1 14 6440 1 1 10 GLY O O 5.007 -9.509 2.469 1.00 . A A . 10 GLY O 1 1 14 6441 1 1 11 HIS C C 2.449 -6.757 4.608 1.00 . A A . 11 HIS C 1 1 14 6442 1 1 11 HIS CA C 3.656 -7.400 3.888 1.00 . A A . 11 HIS CA 1 1 14 6443 1 1 11 HIS CB C 4.670 -6.346 3.388 1.00 . A A . 11 HIS CB 1 1 14 6444 1 1 11 HIS CD2 C 3.039 -4.891 2.052 1.00 . A A . 11 HIS CD2 1 1 14 6445 1 1 11 HIS CE1 C 4.048 -4.848 0.120 1.00 . A A . 11 HIS CE1 1 1 14 6446 1 1 11 HIS CG C 4.193 -5.611 2.166 1.00 . A A . 11 HIS CG 1 1 14 6447 1 1 11 HIS H H 2.285 -7.952 2.380 1.00 . A A . 11 HIS H 1 1 14 6448 1 1 11 HIS HA H 4.143 -8.074 4.589 1.00 . A A . 11 HIS HA 1 1 14 6449 1 1 11 HIS HB2 H 4.881 -5.620 4.170 1.00 . A A . 11 HIS HB2 1 1 14 6450 1 1 11 HIS HB3 H 5.608 -6.843 3.147 1.00 . A A . 11 HIS HB3 1 1 14 6451 1 1 11 HIS HD1 H 5.692 -6.030 0.688 1.00 . A A . 11 HIS HD1 1 1 14 6452 1 1 11 HIS HD2 H 2.344 -4.635 2.843 1.00 . A A . 11 HIS HD2 1 1 14 6453 1 1 11 HIS HE1 H 4.299 -4.552 -0.883 1.00 . A A . 11 HIS HE1 1 1 14 6454 1 1 11 HIS N N 3.203 -8.172 2.734 1.00 . A A . 11 HIS N 1 1 14 6455 1 1 11 HIS ND1 N 4.812 -5.582 0.938 1.00 . A A . 11 HIS ND1 1 1 14 6456 1 1 11 HIS NE2 N 2.921 -4.473 0.732 1.00 . A A . 11 HIS NE2 1 1 14 6457 1 1 11 HIS O O 1.307 -7.186 4.424 1.00 . A A . 11 HIS O 1 1 14 6458 1 1 12 GLN C C 1.907 -3.422 5.669 1.00 . A A . 12 GLN C 1 1 14 6459 1 1 12 GLN CA C 1.718 -4.873 6.090 1.00 . A A . 12 GLN CA 1 1 14 6460 1 1 12 GLN CB C 1.865 -5.139 7.594 1.00 . A A . 12 GLN CB 1 1 14 6461 1 1 12 GLN CD C 0.797 -5.468 9.841 1.00 . A A . 12 GLN CD 1 1 14 6462 1 1 12 GLN CG C 0.732 -4.691 8.528 1.00 . A A . 12 GLN CG 1 1 14 6463 1 1 12 GLN H H 3.672 -5.458 5.553 1.00 . A A . 12 GLN H 1 1 14 6464 1 1 12 GLN HA H 0.710 -5.087 5.764 1.00 . A A . 12 GLN HA 1 1 14 6465 1 1 12 GLN HB2 H 1.977 -6.219 7.724 1.00 . A A . 12 GLN HB2 1 1 14 6466 1 1 12 GLN HB3 H 2.783 -4.671 7.933 1.00 . A A . 12 GLN HB3 1 1 14 6467 1 1 12 GLN HE21 H 2.579 -4.656 10.385 1.00 . A A . 12 GLN HE21 1 1 14 6468 1 1 12 GLN HE22 H 1.953 -5.907 11.428 1.00 . A A . 12 GLN HE22 1 1 14 6469 1 1 12 GLN HG2 H 0.817 -3.621 8.735 1.00 . A A . 12 GLN HG2 1 1 14 6470 1 1 12 GLN HG3 H -0.231 -4.887 8.061 1.00 . A A . 12 GLN HG3 1 1 14 6471 1 1 12 GLN N N 2.697 -5.725 5.415 1.00 . A A . 12 GLN N 1 1 14 6472 1 1 12 GLN NE2 N 1.834 -5.295 10.630 1.00 . A A . 12 GLN NE2 1 1 14 6473 1 1 12 GLN O O 2.798 -3.091 4.889 1.00 . A A . 12 GLN O 1 1 14 6474 1 1 12 GLN OE1 O -0.056 -6.297 10.145 1.00 . A A . 12 GLN OE1 1 1 14 6475 1 1 13 MET C C 2.196 -0.415 5.599 1.00 . A A . 13 MET C 1 1 14 6476 1 1 13 MET CA C 0.879 -1.175 5.626 1.00 . A A . 13 MET CA 1 1 14 6477 1 1 13 MET CB C -0.123 -0.393 6.473 1.00 . A A . 13 MET CB 1 1 14 6478 1 1 13 MET CE C -2.949 -2.650 8.497 1.00 . A A . 13 MET CE 1 1 14 6479 1 1 13 MET CG C -1.387 -1.174 6.807 1.00 . A A . 13 MET CG 1 1 14 6480 1 1 13 MET H H 0.316 -2.881 6.774 1.00 . A A . 13 MET H 1 1 14 6481 1 1 13 MET HA H 0.501 -1.191 4.611 1.00 . A A . 13 MET HA 1 1 14 6482 1 1 13 MET HB2 H 0.355 -0.083 7.401 1.00 . A A . 13 MET HB2 1 1 14 6483 1 1 13 MET HB3 H -0.405 0.484 5.906 1.00 . A A . 13 MET HB3 1 1 14 6484 1 1 13 MET HE1 H -2.573 -3.573 8.054 1.00 . A A . 13 MET HE1 1 1 14 6485 1 1 13 MET HE2 H -3.303 -2.852 9.505 1.00 . A A . 13 MET HE2 1 1 14 6486 1 1 13 MET HE3 H -3.771 -2.262 7.894 1.00 . A A . 13 MET HE3 1 1 14 6487 1 1 13 MET HG2 H -2.249 -0.674 6.396 1.00 . A A . 13 MET HG2 1 1 14 6488 1 1 13 MET HG3 H -1.362 -2.117 6.291 1.00 . A A . 13 MET HG3 1 1 14 6489 1 1 13 MET N N 1.022 -2.542 6.138 1.00 . A A . 13 MET N 1 1 14 6490 1 1 13 MET O O 2.426 0.351 4.670 1.00 . A A . 13 MET O 1 1 14 6491 1 1 13 MET SD S -1.612 -1.446 8.578 1.00 . A A . 13 MET SD 1 1 14 6492 1 1 14 LYS C C 5.327 -0.329 5.604 1.00 . A A . 14 LYS C 1 1 14 6493 1 1 14 LYS CA C 4.368 -0.059 6.764 1.00 . A A . 14 LYS CA 1 1 14 6494 1 1 14 LYS CB C 4.975 -0.573 8.077 1.00 . A A . 14 LYS CB 1 1 14 6495 1 1 14 LYS CD C 3.287 0.893 9.507 1.00 . A A . 14 LYS CD 1 1 14 6496 1 1 14 LYS CE C 4.118 2.133 9.853 1.00 . A A . 14 LYS CE 1 1 14 6497 1 1 14 LYS CG C 4.088 -0.414 9.330 1.00 . A A . 14 LYS CG 1 1 14 6498 1 1 14 LYS H H 2.760 -1.350 7.279 1.00 . A A . 14 LYS H 1 1 14 6499 1 1 14 LYS HA H 4.246 1.017 6.813 1.00 . A A . 14 LYS HA 1 1 14 6500 1 1 14 LYS HB2 H 5.190 -1.639 7.971 1.00 . A A . 14 LYS HB2 1 1 14 6501 1 1 14 LYS HB3 H 5.936 -0.091 8.226 1.00 . A A . 14 LYS HB3 1 1 14 6502 1 1 14 LYS HD2 H 2.667 1.087 8.632 1.00 . A A . 14 LYS HD2 1 1 14 6503 1 1 14 LYS HD3 H 2.601 0.733 10.341 1.00 . A A . 14 LYS HD3 1 1 14 6504 1 1 14 LYS HE2 H 3.574 2.693 10.621 1.00 . A A . 14 LYS HE2 1 1 14 6505 1 1 14 LYS HE3 H 5.075 1.826 10.280 1.00 . A A . 14 LYS HE3 1 1 14 6506 1 1 14 LYS HG2 H 3.355 -1.221 9.313 1.00 . A A . 14 LYS HG2 1 1 14 6507 1 1 14 LYS HG3 H 4.705 -0.564 10.217 1.00 . A A . 14 LYS HG3 1 1 14 6508 1 1 14 LYS HZ1 H 4.760 3.904 8.980 1.00 . A A . 14 LYS HZ1 1 1 14 6509 1 1 14 LYS HZ2 H 3.445 3.241 8.239 1.00 . A A . 14 LYS HZ2 1 1 14 6510 1 1 14 LYS HZ3 H 4.960 2.616 8.015 1.00 . A A . 14 LYS HZ3 1 1 14 6511 1 1 14 LYS N N 3.051 -0.669 6.593 1.00 . A A . 14 LYS N 1 1 14 6512 1 1 14 LYS NZ N 4.331 3.028 8.699 1.00 . A A . 14 LYS NZ 1 1 14 6513 1 1 14 LYS O O 6.187 0.507 5.335 1.00 . A A . 14 LYS O 1 1 14 6514 1 1 15 ASP C C 5.127 -1.719 2.439 1.00 . A A . 15 ASP C 1 1 14 6515 1 1 15 ASP CA C 5.925 -1.873 3.749 1.00 . A A . 15 ASP CA 1 1 14 6516 1 1 15 ASP CB C 6.387 -3.313 3.967 1.00 . A A . 15 ASP CB 1 1 14 6517 1 1 15 ASP CG C 7.880 -3.445 4.264 1.00 . A A . 15 ASP CG 1 1 14 6518 1 1 15 ASP H H 4.399 -2.085 5.218 1.00 . A A . 15 ASP H 1 1 14 6519 1 1 15 ASP HA H 6.811 -1.262 3.652 1.00 . A A . 15 ASP HA 1 1 14 6520 1 1 15 ASP HB2 H 5.826 -3.717 4.809 1.00 . A A . 15 ASP HB2 1 1 14 6521 1 1 15 ASP HB3 H 6.173 -3.904 3.078 1.00 . A A . 15 ASP HB3 1 1 14 6522 1 1 15 ASP N N 5.151 -1.458 4.925 1.00 . A A . 15 ASP N 1 1 14 6523 1 1 15 ASP O O 5.715 -1.628 1.361 1.00 . A A . 15 ASP O 1 1 14 6524 1 1 15 ASP OD1 O 8.723 -3.196 3.369 1.00 . A A . 15 ASP OD1 1 1 14 6525 1 1 15 ASP OD2 O 8.231 -3.897 5.377 1.00 . A A . 15 ASP OD2 1 1 14 6526 1 1 16 CYS C C 2.889 0.082 1.078 1.00 . A A . 16 CYS C 1 1 14 6527 1 1 16 CYS CA C 2.876 -1.408 1.437 1.00 . A A . 16 CYS CA 1 1 14 6528 1 1 16 CYS CB C 1.496 -1.961 1.834 1.00 . A A . 16 CYS CB 1 1 14 6529 1 1 16 CYS H H 3.384 -1.799 3.448 1.00 . A A . 16 CYS H 1 1 14 6530 1 1 16 CYS HA H 3.224 -1.975 0.579 1.00 . A A . 16 CYS HA 1 1 14 6531 1 1 16 CYS HB2 H 1.593 -2.950 2.222 1.00 . A A . 16 CYS HB2 1 1 14 6532 1 1 16 CYS HB3 H 1.128 -1.436 2.686 1.00 . A A . 16 CYS HB3 1 1 14 6533 1 1 16 CYS N N 3.793 -1.661 2.539 1.00 . A A . 16 CYS N 1 1 14 6534 1 1 16 CYS O O 3.505 0.472 0.089 1.00 . A A . 16 CYS O 1 1 14 6535 1 1 16 CYS SG S 0.292 -2.016 0.493 1.00 . A A . 16 CYS SG 1 1 14 6536 1 1 17 THR C C 1.532 2.602 0.202 1.00 . A A . 17 THR C 1 1 14 6537 1 1 17 THR CA C 1.974 2.336 1.655 1.00 . A A . 17 THR CA 1 1 14 6538 1 1 17 THR CB C 3.077 3.247 2.237 1.00 . A A . 17 THR CB 1 1 14 6539 1 1 17 THR CG2 C 4.501 2.967 1.776 1.00 . A A . 17 THR CG2 1 1 14 6540 1 1 17 THR H H 1.939 0.514 2.786 1.00 . A A . 17 THR H 1 1 14 6541 1 1 17 THR HA H 1.100 2.585 2.251 1.00 . A A . 17 THR HA 1 1 14 6542 1 1 17 THR HB H 3.068 3.102 3.315 1.00 . A A . 17 THR HB 1 1 14 6543 1 1 17 THR HG1 H 3.370 5.154 2.497 1.00 . A A . 17 THR HG1 1 1 14 6544 1 1 17 THR HG21 H 5.160 3.779 2.074 1.00 . A A . 17 THR HG21 1 1 14 6545 1 1 17 THR HG22 H 4.524 2.848 0.699 1.00 . A A . 17 THR HG22 1 1 14 6546 1 1 17 THR HG23 H 4.851 2.042 2.234 1.00 . A A . 17 THR HG23 1 1 14 6547 1 1 17 THR N N 2.238 0.910 1.904 1.00 . A A . 17 THR N 1 1 14 6548 1 1 17 THR O O 1.975 3.544 -0.444 1.00 . A A . 17 THR O 1 1 14 6549 1 1 17 THR OG1 O 2.775 4.595 1.991 1.00 . A A . 17 THR OG1 1 1 14 6550 1 1 18 GLU C C -1.207 2.532 -1.942 1.00 . A A . 18 GLU C 1 1 14 6551 1 1 18 GLU CA C 0.178 1.875 -1.739 1.00 . A A . 18 GLU CA 1 1 14 6552 1 1 18 GLU CB C 0.233 0.504 -2.422 1.00 . A A . 18 GLU CB 1 1 14 6553 1 1 18 GLU CD C 2.692 0.734 -3.218 1.00 . A A . 18 GLU CD 1 1 14 6554 1 1 18 GLU CG C 1.616 -0.138 -2.560 1.00 . A A . 18 GLU CG 1 1 14 6555 1 1 18 GLU H H 0.495 0.862 0.134 1.00 . A A . 18 GLU H 1 1 14 6556 1 1 18 GLU HA H 0.858 2.523 -2.287 1.00 . A A . 18 GLU HA 1 1 14 6557 1 1 18 GLU HB2 H -0.389 -0.173 -1.846 1.00 . A A . 18 GLU HB2 1 1 14 6558 1 1 18 GLU HB3 H -0.197 0.586 -3.414 1.00 . A A . 18 GLU HB3 1 1 14 6559 1 1 18 GLU HG2 H 1.948 -0.452 -1.575 1.00 . A A . 18 GLU HG2 1 1 14 6560 1 1 18 GLU HG3 H 1.505 -1.043 -3.155 1.00 . A A . 18 GLU HG3 1 1 14 6561 1 1 18 GLU N N 0.649 1.753 -0.343 1.00 . A A . 18 GLU N 1 1 14 6562 1 1 18 GLU O O -1.635 2.661 -3.086 1.00 . A A . 18 GLU O 1 1 14 6563 1 1 18 GLU OE1 O 2.369 1.604 -4.069 1.00 . A A . 18 GLU OE1 1 1 14 6564 1 1 18 GLU OE2 O 3.891 0.461 -3.003 1.00 . A A . 18 GLU OE2 1 1 14 6565 1 1 19 ARG C C -4.364 2.419 -1.245 1.00 . A A . 19 ARG C 1 1 14 6566 1 1 19 ARG CA C -3.312 3.477 -0.876 1.00 . A A . 19 ARG CA 1 1 14 6567 1 1 19 ARG CB C -3.410 4.761 -1.745 1.00 . A A . 19 ARG CB 1 1 14 6568 1 1 19 ARG CD C -4.609 6.992 -2.172 1.00 . A A . 19 ARG CD 1 1 14 6569 1 1 19 ARG CG C -4.563 5.693 -1.342 1.00 . A A . 19 ARG CG 1 1 14 6570 1 1 19 ARG CZ C -6.729 6.854 -3.468 1.00 . A A . 19 ARG CZ 1 1 14 6571 1 1 19 ARG H H -1.507 2.741 0.024 1.00 . A A . 19 ARG H 1 1 14 6572 1 1 19 ARG HA H -3.552 3.759 0.156 1.00 . A A . 19 ARG HA 1 1 14 6573 1 1 19 ARG HB2 H -2.480 5.310 -1.654 1.00 . A A . 19 ARG HB2 1 1 14 6574 1 1 19 ARG HB3 H -3.521 4.489 -2.797 1.00 . A A . 19 ARG HB3 1 1 14 6575 1 1 19 ARG HD2 H -5.026 7.786 -1.555 1.00 . A A . 19 ARG HD2 1 1 14 6576 1 1 19 ARG HD3 H -3.596 7.283 -2.440 1.00 . A A . 19 ARG HD3 1 1 14 6577 1 1 19 ARG HE H -4.929 6.699 -4.267 1.00 . A A . 19 ARG HE 1 1 14 6578 1 1 19 ARG HG2 H -5.512 5.165 -1.438 1.00 . A A . 19 ARG HG2 1 1 14 6579 1 1 19 ARG HG3 H -4.424 5.970 -0.297 1.00 . A A . 19 ARG HG3 1 1 14 6580 1 1 19 ARG HH11 H -7.111 7.552 -1.630 1.00 . A A . 19 ARG HH11 1 1 14 6581 1 1 19 ARG HH12 H -8.496 7.055 -2.573 1.00 . A A . 19 ARG HH12 1 1 14 6582 1 1 19 ARG HH21 H -6.765 6.475 -5.428 1.00 . A A . 19 ARG HH21 1 1 14 6583 1 1 19 ARG HH22 H -8.323 6.501 -4.594 1.00 . A A . 19 ARG HH22 1 1 14 6584 1 1 19 ARG N N -1.914 2.949 -0.875 1.00 . A A . 19 ARG N 1 1 14 6585 1 1 19 ARG NE N -5.415 6.859 -3.395 1.00 . A A . 19 ARG NE 1 1 14 6586 1 1 19 ARG NH1 N -7.497 7.113 -2.452 1.00 . A A . 19 ARG NH1 1 1 14 6587 1 1 19 ARG NH2 N -7.317 6.602 -4.592 1.00 . A A . 19 ARG NH2 1 1 14 6588 1 1 19 ARG O O -4.776 2.288 -2.419 1.00 . A A . 19 ARG O 1 1 14 6589 1 1 19 ARG OXT O -4.869 1.733 -0.342 1.00 . A A . 19 ARG OXT 1 1 14 6590 2 2 1 DT C1' C 9.835 4.681 3.435 1.00 . B B . 20 DT C1' 1 1 14 6591 2 2 1 DT C2 C 10.549 4.153 5.790 1.00 . B B . 20 DT C2 1 1 14 6592 2 2 1 DT C2' C 8.641 4.451 2.501 1.00 . B B . 20 DT C2' 1 1 14 6593 2 2 1 DT C3' C 8.528 5.786 1.758 1.00 . B B . 20 DT C3' 1 1 14 6594 2 2 1 DT C4 C 10.496 1.866 6.663 1.00 . B B . 20 DT C4 1 1 14 6595 2 2 1 DT C4' C 9.219 6.775 2.701 1.00 . B B . 20 DT C4' 1 1 14 6596 2 2 1 DT C5 C 9.839 1.475 5.415 1.00 . B B . 20 DT C5 1 1 14 6597 2 2 1 DT C5' C 8.386 8.015 3.080 1.00 . B B . 20 DT C5' 1 1 14 6598 2 2 1 DT C6 C 9.605 2.388 4.434 1.00 . B B . 20 DT C6 1 1 14 6599 2 2 1 DT C7 C 9.450 0.019 5.195 1.00 . B B . 20 DT C7 1 1 14 6600 2 2 1 DT H1' H 10.758 4.631 2.847 1.00 . B B . 20 DT H1' 1 1 14 6601 2 2 1 DT H2' H 7.735 4.289 3.086 1.00 . B B . 20 DT H2' 1 1 14 6602 2 2 1 DT H2'' H 8.798 3.627 1.807 1.00 . B B . 20 DT H2'' 1 1 14 6603 2 2 1 DT H3 H 11.263 3.516 7.588 1.00 . B B . 20 DT H3 1 1 14 6604 2 2 1 DT H3' H 7.479 6.059 1.614 1.00 . B B . 20 DT H3' 1 1 14 6605 2 2 1 DT H4' H 10.128 7.135 2.212 1.00 . B B . 20 DT H4' 1 1 14 6606 2 2 1 DT H5' H 9.002 8.674 3.699 1.00 . B B . 20 DT H5' 1 1 14 6607 2 2 1 DT H5'' H 8.146 8.558 2.161 1.00 . B B . 20 DT H5'' 1 1 14 6608 2 2 1 DT H6 H 9.161 2.046 3.508 1.00 . B B . 20 DT H6 1 1 14 6609 2 2 1 DT H71 H 8.970 -0.121 4.224 1.00 . B B . 20 DT H71 1 1 14 6610 2 2 1 DT H72 H 8.759 -0.293 5.980 1.00 . B B . 20 DT H72 1 1 14 6611 2 2 1 DT H73 H 10.340 -0.615 5.252 1.00 . B B . 20 DT H73 1 1 14 6612 2 2 1 DT HO5' H 6.644 8.549 3.798 1.00 . B B . 20 DT HO5' 1 1 14 6613 2 2 1 DT N1 N 9.944 3.724 4.590 1.00 . B B . 20 DT N1 1 1 14 6614 2 2 1 DT N3 N 10.780 3.206 6.758 1.00 . B B . 20 DT N3 1 1 14 6615 2 2 1 DT O2 O 10.874 5.311 6.044 1.00 . B B . 20 DT O2 1 1 14 6616 2 2 1 DT O3' O 9.259 5.796 0.538 1.00 . B B . 20 DT O3' 1 1 14 6617 2 2 1 DT O4 O 10.832 1.130 7.589 1.00 . B B . 20 DT O4 1 1 14 6618 2 2 1 DT O4' O 9.608 6.021 3.832 1.00 . B B . 20 DT O4' 1 1 14 6619 2 2 1 DT O5' O 7.171 7.719 3.769 1.00 . B B . 20 DT O5' 1 1 14 6620 2 2 2 DA C1' C 4.198 6.668 -2.390 1.00 . B B . 21 DA C1' 1 1 14 6621 2 2 2 DA C2 C 6.055 4.775 -5.888 1.00 . B B . 21 DA C2 1 1 14 6622 2 2 2 DA C2' C 3.532 6.823 -1.020 1.00 . B B . 21 DA C2' 1 1 14 6623 2 2 2 DA C3' C 4.667 7.277 -0.104 1.00 . B B . 21 DA C3' 1 1 14 6624 2 2 2 DA C4 C 5.310 4.838 -3.782 1.00 . B B . 21 DA C4 1 1 14 6625 2 2 2 DA C4' C 5.668 7.915 -1.085 1.00 . B B . 21 DA C4' 1 1 14 6626 2 2 2 DA C5 C 5.663 3.537 -3.530 1.00 . B B . 21 DA C5 1 1 14 6627 2 2 2 DA C5' C 7.110 7.442 -0.865 1.00 . B B . 21 DA C5' 1 1 14 6628 2 2 2 DA C6 C 6.261 2.882 -4.636 1.00 . B B . 21 DA C6 1 1 14 6629 2 2 2 DA C8 C 4.794 4.264 -1.739 1.00 . B B . 21 DA C8 1 1 14 6630 2 2 2 DA H1' H 3.472 6.873 -3.183 1.00 . B B . 21 DA H1' 1 1 14 6631 2 2 2 DA H2 H 6.225 5.254 -6.843 1.00 . B B . 21 DA H2 1 1 14 6632 2 2 2 DA H2' H 3.055 5.921 -0.650 1.00 . B B . 21 DA H2' 1 1 14 6633 2 2 2 DA H2'' H 2.762 7.564 -1.106 1.00 . B B . 21 DA H2'' 1 1 14 6634 2 2 2 DA H3' H 5.131 6.383 0.317 1.00 . B B . 21 DA H3' 1 1 14 6635 2 2 2 DA H4' H 5.666 8.994 -0.945 1.00 . B B . 21 DA H4' 1 1 14 6636 2 2 2 DA H5' H 7.755 7.911 -1.609 1.00 . B B . 21 DA H5' 1 1 14 6637 2 2 2 DA H5'' H 7.435 7.793 0.116 1.00 . B B . 21 DA H5'' 1 1 14 6638 2 2 2 DA H61 H 7.091 1.246 -5.488 1.00 . B B . 21 DA H61 1 1 14 6639 2 2 2 DA H62 H 6.596 1.055 -3.822 1.00 . B B . 21 DA H62 1 1 14 6640 2 2 2 DA H8 H 4.407 4.379 -0.733 1.00 . B B . 21 DA H8 1 1 14 6641 2 2 2 DA N1 N 6.446 3.511 -5.798 1.00 . B B . 21 DA N1 1 1 14 6642 2 2 2 DA N3 N 5.487 5.528 -4.949 1.00 . B B . 21 DA N3 1 1 14 6643 2 2 2 DA N6 N 6.699 1.636 -4.647 1.00 . B B . 21 DA N6 1 1 14 6644 2 2 2 DA N7 N 5.339 3.174 -2.211 1.00 . B B . 21 DA N7 1 1 14 6645 2 2 2 DA N9 N 4.760 5.315 -2.614 1.00 . B B . 21 DA N9 1 1 14 6646 2 2 2 DA O3' O 4.283 8.114 0.987 1.00 . B B . 21 DA O3' 1 1 14 6647 2 2 2 DA O4' O 5.234 7.639 -2.416 1.00 . B B . 21 DA O4' 1 1 14 6648 2 2 2 DA O5' O 7.215 6.024 -0.929 1.00 . B B . 21 DA O5' 1 1 14 6649 2 2 2 DA OP1 O 8.408 3.829 -0.741 1.00 . B B . 21 DA OP1 1 1 14 6650 2 2 2 DA OP2 O 9.469 5.811 -1.927 1.00 . B B . 21 DA OP2 1 1 14 6651 2 2 2 DA P P 8.621 5.285 -0.832 1.00 . B B . 21 DA P 1 1 14 6652 2 2 3 DC C1' C -1.427 7.446 -0.008 1.00 . B B . 22 DC C1' 1 1 14 6653 2 2 3 DC C2 C -0.763 7.836 -2.416 1.00 . B B . 22 DC C2 1 1 14 6654 2 2 3 DC C2' C -0.996 6.923 1.383 1.00 . B B . 22 DC C2' 1 1 14 6655 2 2 3 DC C3' C -0.615 8.169 2.188 1.00 . B B . 22 DC C3' 1 1 14 6656 2 2 3 DC C4 C 0.700 6.478 -3.534 1.00 . B B . 22 DC C4 1 1 14 6657 2 2 3 DC C4' C -0.602 9.293 1.153 1.00 . B B . 22 DC C4' 1 1 14 6658 2 2 3 DC C5 C 0.810 5.610 -2.427 1.00 . B B . 22 DC C5 1 1 14 6659 2 2 3 DC C5' C 0.766 9.675 0.547 1.00 . B B . 22 DC C5' 1 1 14 6660 2 2 3 DC C6 C 0.154 5.942 -1.285 1.00 . B B . 22 DC C6 1 1 14 6661 2 2 3 DC H1' H -2.432 7.073 -0.203 1.00 . B B . 22 DC H1' 1 1 14 6662 2 2 3 DC H2' H -0.152 6.232 1.358 1.00 . B B . 22 DC H2' 1 1 14 6663 2 2 3 DC H2'' H -1.836 6.422 1.867 1.00 . B B . 22 DC H2'' 1 1 14 6664 2 2 3 DC H3' H 0.360 8.024 2.647 1.00 . B B . 22 DC H3' 1 1 14 6665 2 2 3 DC H4' H -1.004 10.190 1.617 1.00 . B B . 22 DC H4' 1 1 14 6666 2 2 3 DC H41 H 1.261 6.883 -5.393 1.00 . B B . 22 DC H41 1 1 14 6667 2 2 3 DC H42 H 1.887 5.375 -4.721 1.00 . B B . 22 DC H42 1 1 14 6668 2 2 3 DC H5 H 1.403 4.713 -2.476 1.00 . B B . 22 DC H5 1 1 14 6669 2 2 3 DC H5' H 0.704 9.626 -0.540 1.00 . B B . 22 DC H5' 1 1 14 6670 2 2 3 DC H5'' H 0.957 10.715 0.816 1.00 . B B . 22 DC H5'' 1 1 14 6671 2 2 3 DC H6 H 0.209 5.276 -0.434 1.00 . B B . 22 DC H6 1 1 14 6672 2 2 3 DC N1 N -0.589 7.101 -1.219 1.00 . B B . 22 DC N1 1 1 14 6673 2 2 3 DC N3 N -0.080 7.531 -3.545 1.00 . B B . 22 DC N3 1 1 14 6674 2 2 3 DC N4 N 1.364 6.239 -4.624 1.00 . B B . 22 DC N4 1 1 14 6675 2 2 3 DC O2 O -1.585 8.745 -2.526 1.00 . B B . 22 DC O2 1 1 14 6676 2 2 3 DC O3' O -1.603 8.506 3.156 1.00 . B B . 22 DC O3' 1 1 14 6677 2 2 3 DC O4' O -1.530 8.849 0.178 1.00 . B B . 22 DC O4' 1 1 14 6678 2 2 3 DC O5' O 1.858 8.882 0.988 1.00 . B B . 22 DC O5' 1 1 14 6679 2 2 3 DC OP1 O 3.532 10.054 -0.447 1.00 . B B . 22 DC OP1 1 1 14 6680 2 2 3 DC OP2 O 3.621 10.228 2.093 1.00 . B B . 22 DC OP2 1 1 14 6681 2 2 3 DC P P 3.358 9.420 0.880 1.00 . B B . 22 DC P 1 1 14 6682 2 2 4 DG C1' C -0.415 3.599 4.749 1.00 . B B . 23 DG C1' 1 1 14 6683 2 2 4 DG C2 C 2.805 6.743 4.493 1.00 . B B . 23 DG C2 1 1 14 6684 2 2 4 DG C2' C -1.373 3.001 5.791 1.00 . B B . 23 DG C2' 1 1 14 6685 2 2 4 DG C3' C -2.445 4.059 6.033 1.00 . B B . 23 DG C3' 1 1 14 6686 2 2 4 DG C4 C 1.880 4.793 5.148 1.00 . B B . 23 DG C4 1 1 14 6687 2 2 4 DG C4' C -2.296 4.965 4.812 1.00 . B B . 23 DG C4' 1 1 14 6688 2 2 4 DG C5 C 3.060 4.350 5.712 1.00 . B B . 23 DG C5 1 1 14 6689 2 2 4 DG C5' C -2.507 6.452 5.098 1.00 . B B . 23 DG C5' 1 1 14 6690 2 2 4 DG C6 C 4.230 5.184 5.636 1.00 . B B . 23 DG C6 1 1 14 6691 2 2 4 DG C8 C 1.647 2.809 6.023 1.00 . B B . 23 DG C8 1 1 14 6692 2 2 4 DG H1 H 4.783 7.013 4.918 1.00 . B B . 23 DG H1 1 1 14 6693 2 2 4 DG H1' H -0.381 2.925 3.895 1.00 . B B . 23 DG H1' 1 1 14 6694 2 2 4 DG H2' H -0.880 2.779 6.728 1.00 . B B . 23 DG H2' 1 1 14 6695 2 2 4 DG H2'' H -1.787 2.065 5.414 1.00 . B B . 23 DG H2'' 1 1 14 6696 2 2 4 DG H21 H 3.537 8.438 3.661 1.00 . B B . 23 DG H21 1 1 14 6697 2 2 4 DG H22 H 1.810 8.144 3.564 1.00 . B B . 23 DG H22 1 1 14 6698 2 2 4 DG H3' H -2.197 4.616 6.935 1.00 . B B . 23 DG H3' 1 1 14 6699 2 2 4 DG H4' H -3.039 4.651 4.076 1.00 . B B . 23 DG H4' 1 1 14 6700 2 2 4 DG H5' H -3.058 6.851 4.243 1.00 . B B . 23 DG H5' 1 1 14 6701 2 2 4 DG H5'' H -3.127 6.589 5.984 1.00 . B B . 23 DG H5'' 1 1 14 6702 2 2 4 DG H8 H 1.189 1.874 6.315 1.00 . B B . 23 DG H8 1 1 14 6703 2 2 4 DG N1 N 4.022 6.360 4.954 1.00 . B B . 23 DG N1 1 1 14 6704 2 2 4 DG N2 N 2.726 7.892 3.893 1.00 . B B . 23 DG N2 1 1 14 6705 2 2 4 DG N3 N 1.703 6.001 4.537 1.00 . B B . 23 DG N3 1 1 14 6706 2 2 4 DG N7 N 2.889 3.091 6.281 1.00 . B B . 23 DG N7 1 1 14 6707 2 2 4 DG N9 N 0.963 3.759 5.307 1.00 . B B . 23 DG N9 1 1 14 6708 2 2 4 DG O3' O -3.704 3.401 6.143 1.00 . B B . 23 DG O3' 1 1 14 6709 2 2 4 DG O4' O -0.999 4.785 4.267 1.00 . B B . 23 DG O4' 1 1 14 6710 2 2 4 DG O5' O -1.297 7.185 5.255 1.00 . B B . 23 DG O5' 1 1 14 6711 2 2 4 DG O6 O 5.361 4.975 6.087 1.00 . B B . 23 DG O6 1 1 14 6712 2 2 4 DG OP1 O -2.349 9.394 5.363 1.00 . B B . 23 DG OP1 1 1 14 6713 2 2 4 DG OP2 O 0.136 9.224 4.815 1.00 . B B . 23 DG OP2 1 1 14 6714 2 2 4 DG P P -1.235 8.672 4.701 1.00 . B B . 23 DG P 1 1 14 6715 2 2 5 DC C1' C -6.324 4.456 1.420 1.00 . B B . 24 DC C1' 1 1 14 6716 2 2 5 DC C2 C -7.708 2.566 0.578 1.00 . B B . 24 DC C2 1 1 14 6717 2 2 5 DC C2' C -7.283 5.618 1.220 1.00 . B B . 24 DC C2' 1 1 14 6718 2 2 5 DC C3' C -7.569 6.044 2.644 1.00 . B B . 24 DC C3' 1 1 14 6719 2 2 5 DC C4 C -8.885 1.171 1.955 1.00 . B B . 24 DC C4 1 1 14 6720 2 2 5 DC C4' C -6.125 6.012 3.164 1.00 . B B . 24 DC C4' 1 1 14 6721 2 2 5 DC C5 C -8.331 1.775 3.115 1.00 . B B . 24 DC C5 1 1 14 6722 2 2 5 DC C5' C -5.915 5.928 4.688 1.00 . B B . 24 DC C5' 1 1 14 6723 2 2 5 DC C6 C -7.441 2.778 2.940 1.00 . B B . 24 DC C6 1 1 14 6724 2 2 5 DC H1' H -5.733 4.281 0.521 1.00 . B B . 24 DC H1' 1 1 14 6725 2 2 5 DC H2' H -8.154 5.311 0.654 1.00 . B B . 24 DC H2' 1 1 14 6726 2 2 5 DC H2'' H -6.794 6.453 0.752 1.00 . B B . 24 DC H2'' 1 1 14 6727 2 2 5 DC H3' H -8.183 5.287 3.121 1.00 . B B . 24 DC H3' 1 1 14 6728 2 2 5 DC H4' H -5.654 6.941 2.828 1.00 . B B . 24 DC H4' 1 1 14 6729 2 2 5 DC H41 H -10.296 -0.079 1.278 1.00 . B B . 24 DC H41 1 1 14 6730 2 2 5 DC H42 H -10.178 0.129 3.022 1.00 . B B . 24 DC H42 1 1 14 6731 2 2 5 DC H5 H -8.626 1.474 4.105 1.00 . B B . 24 DC H5 1 1 14 6732 2 2 5 DC H5' H -5.021 6.488 4.932 1.00 . B B . 24 DC H5' 1 1 14 6733 2 2 5 DC H5'' H -6.742 6.421 5.202 1.00 . B B . 24 DC H5'' 1 1 14 6734 2 2 5 DC H6 H -7.012 3.272 3.793 1.00 . B B . 24 DC H6 1 1 14 6735 2 2 5 DC N1 N -7.118 3.204 1.677 1.00 . B B . 24 DC N1 1 1 14 6736 2 2 5 DC N3 N -8.571 1.534 0.726 1.00 . B B . 24 DC N3 1 1 14 6737 2 2 5 DC N4 N -9.813 0.275 2.092 1.00 . B B . 24 DC N4 1 1 14 6738 2 2 5 DC O2 O -7.519 2.949 -0.580 1.00 . B B . 24 DC O2 1 1 14 6739 2 2 5 DC O3' O -8.169 7.328 2.703 1.00 . B B . 24 DC O3' 1 1 14 6740 2 2 5 DC O4' O -5.494 4.925 2.477 1.00 . B B . 24 DC O4' 1 1 14 6741 2 2 5 DC O5' O -5.775 4.580 5.129 1.00 . B B . 24 DC O5' 1 1 14 6742 2 2 5 DC OP1 O -4.749 5.330 7.315 1.00 . B B . 24 DC OP1 1 1 14 6743 2 2 5 DC OP2 O -5.955 3.130 7.113 1.00 . B B . 24 DC OP2 1 1 14 6744 2 2 5 DC P P -5.074 4.147 6.496 1.00 . B B . 24 DC P 1 1 14 6745 2 2 6 DC C1' C -11.067 4.359 6.971 1.00 . B B . 25 DC C1' 1 1 14 6746 2 2 6 DC C2 C -12.534 2.688 8.108 1.00 . B B . 25 DC C2 1 1 14 6747 2 2 6 DC C2' C -10.031 3.880 5.955 1.00 . B B . 25 DC C2' 1 1 14 6748 2 2 6 DC C3' C -9.087 5.078 5.959 1.00 . B B . 25 DC C3' 1 1 14 6749 2 2 6 DC C4 C -14.486 1.951 7.166 1.00 . B B . 25 DC C4 1 1 14 6750 2 2 6 DC C4' C -10.039 6.251 6.256 1.00 . B B . 25 DC C4' 1 1 14 6751 2 2 6 DC C5 C -14.318 2.789 6.032 1.00 . B B . 25 DC C5 1 1 14 6752 2 2 6 DC C5' C -10.109 7.287 5.127 1.00 . B B . 25 DC C5' 1 1 14 6753 2 2 6 DC C6 C -13.208 3.565 5.984 1.00 . B B . 25 DC C6 1 1 14 6754 2 2 6 DC H1' H -10.599 4.379 7.964 1.00 . B B . 25 DC H1' 1 1 14 6755 2 2 6 DC H2' H -10.481 3.757 4.969 1.00 . B B . 25 DC H2' 1 1 14 6756 2 2 6 DC H2'' H -9.543 2.957 6.274 1.00 . B B . 25 DC H2'' 1 1 14 6757 2 2 6 DC H3' H -8.573 5.203 4.995 1.00 . B B . 25 DC H3' 1 1 14 6758 2 2 6 DC H4' H -9.685 6.763 7.152 1.00 . B B . 25 DC H4' 1 1 14 6759 2 2 6 DC H41 H -15.606 0.619 8.097 1.00 . B B . 25 DC H41 1 1 14 6760 2 2 6 DC H42 H -16.165 1.108 6.482 1.00 . B B . 25 DC H42 1 1 14 6761 2 2 6 DC H5 H -15.031 2.827 5.228 1.00 . B B . 25 DC H5 1 1 14 6762 2 2 6 DC H5' H -10.917 7.989 5.324 1.00 . B B . 25 DC H5' 1 1 14 6763 2 2 6 DC H5'' H -9.168 7.840 5.147 1.00 . B B . 25 DC H5'' 1 1 14 6764 2 2 6 DC H6 H -13.023 4.224 5.144 1.00 . B B . 25 DC H6 1 1 14 6765 2 2 6 DC HO3' H -7.597 4.145 6.860 1.00 . B B . 25 DC HO3' 1 1 14 6766 2 2 6 DC N1 N -12.300 3.527 7.009 1.00 . B B . 25 DC N1 1 1 14 6767 2 2 6 DC N3 N -13.643 1.916 8.178 1.00 . B B . 25 DC N3 1 1 14 6768 2 2 6 DC N4 N -15.510 1.156 7.248 1.00 . B B . 25 DC N4 1 1 14 6769 2 2 6 DC O2 O -11.752 2.636 9.062 1.00 . B B . 25 DC O2 1 1 14 6770 2 2 6 DC O3' O -8.171 4.915 7.034 1.00 . B B . 25 DC O3' 1 1 14 6771 2 2 6 DC O4' O -11.312 5.689 6.553 1.00 . B B . 25 DC O4' 1 1 14 6772 2 2 6 DC O5' O -10.277 6.719 3.835 1.00 . B B . 25 DC O5' 1 1 14 6773 2 2 6 DC OP1 O -10.194 6.762 1.334 1.00 . B B . 25 DC OP1 1 1 14 6774 2 2 6 DC OP2 O -10.066 8.917 2.675 1.00 . B B . 25 DC OP2 1 1 14 6775 2 2 6 DC P P -9.748 7.485 2.540 1.00 . B B . 25 DC P 1 1 14 6776 3 3 1 ZN ZN ZN 0.483 -3.793 -0.334 1.00 . C A . 26 ZN ZN 1 1 15 6777 1 1 1 LYS C C -4.664 -11.315 4.401 1.00 . A A . 1 LYS C 1 1 15 6778 1 1 1 LYS CA C -5.828 -11.585 5.354 1.00 . A A . 1 LYS CA 1 1 15 6779 1 1 1 LYS CB C -6.294 -13.049 5.288 1.00 . A A . 1 LYS CB 1 1 15 6780 1 1 1 LYS CD C -5.667 -15.457 5.809 1.00 . A A . 1 LYS CD 1 1 15 6781 1 1 1 LYS CE C -4.720 -16.333 6.640 1.00 . A A . 1 LYS CE 1 1 15 6782 1 1 1 LYS CG C -5.325 -13.980 6.026 1.00 . A A . 1 LYS CG 1 1 15 6783 1 1 1 LYS H1 H -6.631 -9.725 4.954 1.00 . A A . 1 LYS H1 1 1 15 6784 1 1 1 LYS H2 H -7.582 -10.683 5.894 1.00 . A A . 1 LYS H2 1 1 15 6785 1 1 1 LYS H3 H -7.464 -10.955 4.270 1.00 . A A . 1 LYS H3 1 1 15 6786 1 1 1 LYS HA H -5.476 -11.380 6.364 1.00 . A A . 1 LYS HA 1 1 15 6787 1 1 1 LYS HB2 H -7.273 -13.137 5.760 1.00 . A A . 1 LYS HB2 1 1 15 6788 1 1 1 LYS HB3 H -6.394 -13.366 4.249 1.00 . A A . 1 LYS HB3 1 1 15 6789 1 1 1 LYS HD2 H -6.698 -15.654 6.113 1.00 . A A . 1 LYS HD2 1 1 15 6790 1 1 1 LYS HD3 H -5.562 -15.692 4.750 1.00 . A A . 1 LYS HD3 1 1 15 6791 1 1 1 LYS HE2 H -3.694 -15.993 6.479 1.00 . A A . 1 LYS HE2 1 1 15 6792 1 1 1 LYS HE3 H -4.954 -16.203 7.701 1.00 . A A . 1 LYS HE3 1 1 15 6793 1 1 1 LYS HG2 H -4.304 -13.803 5.679 1.00 . A A . 1 LYS HG2 1 1 15 6794 1 1 1 LYS HG3 H -5.379 -13.756 7.090 1.00 . A A . 1 LYS HG3 1 1 15 6795 1 1 1 LYS HZ1 H -5.758 -18.128 6.422 1.00 . A A . 1 LYS HZ1 1 1 15 6796 1 1 1 LYS HZ2 H -4.178 -18.329 6.820 1.00 . A A . 1 LYS HZ2 1 1 15 6797 1 1 1 LYS HZ3 H -4.583 -17.888 5.282 1.00 . A A . 1 LYS HZ3 1 1 15 6798 1 1 1 LYS N N -6.957 -10.673 5.100 1.00 . A A . 1 LYS N 1 1 15 6799 1 1 1 LYS NZ N -4.821 -17.762 6.266 1.00 . A A . 1 LYS NZ 1 1 15 6800 1 1 1 LYS O O -4.771 -11.578 3.203 1.00 . A A . 1 LYS O 1 1 15 6801 1 1 2 GLY C C -2.088 -8.929 4.279 1.00 . A A . 2 GLY C 1 1 15 6802 1 1 2 GLY CA C -2.327 -10.440 4.201 1.00 . A A . 2 GLY CA 1 1 15 6803 1 1 2 GLY H H -3.531 -10.650 5.938 1.00 . A A . 2 GLY H 1 1 15 6804 1 1 2 GLY HA2 H -1.465 -10.938 4.640 1.00 . A A . 2 GLY HA2 1 1 15 6805 1 1 2 GLY HA3 H -2.390 -10.757 3.161 1.00 . A A . 2 GLY HA3 1 1 15 6806 1 1 2 GLY N N -3.540 -10.828 4.938 1.00 . A A . 2 GLY N 1 1 15 6807 1 1 2 GLY O O -2.121 -8.351 5.369 1.00 . A A . 2 GLY O 1 1 15 6808 1 1 3 CYS C C -3.087 -6.119 3.438 1.00 . A A . 3 CYS C 1 1 15 6809 1 1 3 CYS CA C -1.793 -6.829 3.010 1.00 . A A . 3 CYS CA 1 1 15 6810 1 1 3 CYS CB C -1.444 -6.455 1.563 1.00 . A A . 3 CYS CB 1 1 15 6811 1 1 3 CYS H H -1.738 -8.832 2.301 1.00 . A A . 3 CYS H 1 1 15 6812 1 1 3 CYS HA H -0.967 -6.498 3.645 1.00 . A A . 3 CYS HA 1 1 15 6813 1 1 3 CYS HB2 H -0.772 -7.201 1.142 1.00 . A A . 3 CYS HB2 1 1 15 6814 1 1 3 CYS HB3 H -2.361 -6.464 0.983 1.00 . A A . 3 CYS HB3 1 1 15 6815 1 1 3 CYS N N -1.887 -8.280 3.132 1.00 . A A . 3 CYS N 1 1 15 6816 1 1 3 CYS O O -4.140 -6.712 3.688 1.00 . A A . 3 CYS O 1 1 15 6817 1 1 3 CYS SG S -0.712 -4.787 1.498 1.00 . A A . 3 CYS SG 1 1 15 6818 1 1 4 TRP C C -4.906 -3.526 2.512 1.00 . A A . 4 TRP C 1 1 15 6819 1 1 4 TRP CA C -4.063 -3.851 3.761 1.00 . A A . 4 TRP CA 1 1 15 6820 1 1 4 TRP CB C -3.354 -2.610 4.290 1.00 . A A . 4 TRP CB 1 1 15 6821 1 1 4 TRP CD1 C -5.259 -0.930 4.535 1.00 . A A . 4 TRP CD1 1 1 15 6822 1 1 4 TRP CD2 C -3.439 -0.169 3.472 1.00 . A A . 4 TRP CD2 1 1 15 6823 1 1 4 TRP CE2 C -4.364 0.902 3.509 1.00 . A A . 4 TRP CE2 1 1 15 6824 1 1 4 TRP CE3 C -2.191 0.043 2.861 1.00 . A A . 4 TRP CE3 1 1 15 6825 1 1 4 TRP CG C -4.028 -1.307 4.131 1.00 . A A . 4 TRP CG 1 1 15 6826 1 1 4 TRP CH2 C -2.820 2.330 2.310 1.00 . A A . 4 TRP CH2 1 1 15 6827 1 1 4 TRP CZ2 C -4.054 2.141 2.948 1.00 . A A . 4 TRP CZ2 1 1 15 6828 1 1 4 TRP CZ3 C -1.892 1.279 2.284 1.00 . A A . 4 TRP CZ3 1 1 15 6829 1 1 4 TRP H H -2.103 -4.441 3.168 1.00 . A A . 4 TRP H 1 1 15 6830 1 1 4 TRP HA H -4.735 -4.235 4.526 1.00 . A A . 4 TRP HA 1 1 15 6831 1 1 4 TRP HB2 H -3.096 -2.717 5.327 1.00 . A A . 4 TRP HB2 1 1 15 6832 1 1 4 TRP HB3 H -2.398 -2.524 3.773 1.00 . A A . 4 TRP HB3 1 1 15 6833 1 1 4 TRP HD1 H -5.977 -1.564 5.049 1.00 . A A . 4 TRP HD1 1 1 15 6834 1 1 4 TRP HE1 H -6.347 0.868 4.288 1.00 . A A . 4 TRP HE1 1 1 15 6835 1 1 4 TRP HE3 H -1.464 -0.751 2.803 1.00 . A A . 4 TRP HE3 1 1 15 6836 1 1 4 TRP HH2 H -2.586 3.281 1.854 1.00 . A A . 4 TRP HH2 1 1 15 6837 1 1 4 TRP HZ2 H -4.762 2.934 2.997 1.00 . A A . 4 TRP HZ2 1 1 15 6838 1 1 4 TRP HZ3 H -0.937 1.407 1.836 1.00 . A A . 4 TRP HZ3 1 1 15 6839 1 1 4 TRP N N -2.996 -4.804 3.482 1.00 . A A . 4 TRP N 1 1 15 6840 1 1 4 TRP NE1 N -5.465 0.386 4.163 1.00 . A A . 4 TRP NE1 1 1 15 6841 1 1 4 TRP O O -6.135 -3.588 2.579 1.00 . A A . 4 TRP O 1 1 15 6842 1 1 5 LYS C C -4.627 -3.787 -1.050 1.00 . A A . 5 LYS C 1 1 15 6843 1 1 5 LYS CA C -4.908 -2.829 0.113 1.00 . A A . 5 LYS CA 1 1 15 6844 1 1 5 LYS CB C -4.593 -1.348 -0.223 1.00 . A A . 5 LYS CB 1 1 15 6845 1 1 5 LYS CD C -3.013 -1.170 -2.273 1.00 . A A . 5 LYS CD 1 1 15 6846 1 1 5 LYS CE C -3.691 -0.009 -3.000 1.00 . A A . 5 LYS CE 1 1 15 6847 1 1 5 LYS CG C -3.169 -1.066 -0.745 1.00 . A A . 5 LYS CG 1 1 15 6848 1 1 5 LYS H H -3.246 -3.142 1.441 1.00 . A A . 5 LYS H 1 1 15 6849 1 1 5 LYS HA H -5.989 -2.876 0.262 1.00 . A A . 5 LYS HA 1 1 15 6850 1 1 5 LYS HB2 H -5.322 -0.986 -0.948 1.00 . A A . 5 LYS HB2 1 1 15 6851 1 1 5 LYS HB3 H -4.746 -0.759 0.686 1.00 . A A . 5 LYS HB3 1 1 15 6852 1 1 5 LYS HD2 H -1.954 -1.166 -2.510 1.00 . A A . 5 LYS HD2 1 1 15 6853 1 1 5 LYS HD3 H -3.418 -2.111 -2.632 1.00 . A A . 5 LYS HD3 1 1 15 6854 1 1 5 LYS HE2 H -4.774 -0.089 -2.891 1.00 . A A . 5 LYS HE2 1 1 15 6855 1 1 5 LYS HE3 H -3.385 0.934 -2.529 1.00 . A A . 5 LYS HE3 1 1 15 6856 1 1 5 LYS HG2 H -2.885 -0.056 -0.441 1.00 . A A . 5 LYS HG2 1 1 15 6857 1 1 5 LYS HG3 H -2.474 -1.755 -0.260 1.00 . A A . 5 LYS HG3 1 1 15 6858 1 1 5 LYS HZ1 H -2.359 0.391 -4.520 1.00 . A A . 5 LYS HZ1 1 1 15 6859 1 1 5 LYS HZ2 H -3.905 0.715 -4.913 1.00 . A A . 5 LYS HZ2 1 1 15 6860 1 1 5 LYS HZ3 H -3.395 -0.840 -4.870 1.00 . A A . 5 LYS HZ3 1 1 15 6861 1 1 5 LYS N N -4.250 -3.216 1.382 1.00 . A A . 5 LYS N 1 1 15 6862 1 1 5 LYS NZ N -3.315 0.066 -4.422 1.00 . A A . 5 LYS NZ 1 1 15 6863 1 1 5 LYS O O -5.499 -3.952 -1.905 1.00 . A A . 5 LYS O 1 1 15 6864 1 1 6 CYS C C -3.867 -6.633 -2.189 1.00 . A A . 6 CYS C 1 1 15 6865 1 1 6 CYS CA C -3.025 -5.336 -2.148 1.00 . A A . 6 CYS CA 1 1 15 6866 1 1 6 CYS CB C -1.516 -5.625 -1.975 1.00 . A A . 6 CYS CB 1 1 15 6867 1 1 6 CYS H H -2.773 -4.219 -0.370 1.00 . A A . 6 CYS H 1 1 15 6868 1 1 6 CYS HA H -3.171 -4.813 -3.092 1.00 . A A . 6 CYS HA 1 1 15 6869 1 1 6 CYS HB2 H -1.382 -6.376 -1.195 1.00 . A A . 6 CYS HB2 1 1 15 6870 1 1 6 CYS HB3 H -1.153 -6.057 -2.910 1.00 . A A . 6 CYS HB3 1 1 15 6871 1 1 6 CYS N N -3.461 -4.449 -1.065 1.00 . A A . 6 CYS N 1 1 15 6872 1 1 6 CYS O O -4.413 -7.023 -3.222 1.00 . A A . 6 CYS O 1 1 15 6873 1 1 6 CYS SG S -0.511 -4.160 -1.565 1.00 . A A . 6 CYS SG 1 1 15 6874 1 1 7 GLY C C -4.133 -9.801 -0.805 1.00 . A A . 7 GLY C 1 1 15 6875 1 1 7 GLY CA C -4.838 -8.444 -0.754 1.00 . A A . 7 GLY CA 1 1 15 6876 1 1 7 GLY H H -3.488 -6.878 -0.261 1.00 . A A . 7 GLY H 1 1 15 6877 1 1 7 GLY HA2 H -5.203 -8.323 0.264 1.00 . A A . 7 GLY HA2 1 1 15 6878 1 1 7 GLY HA3 H -5.672 -8.463 -1.453 1.00 . A A . 7 GLY HA3 1 1 15 6879 1 1 7 GLY N N -3.989 -7.282 -1.029 1.00 . A A . 7 GLY N 1 1 15 6880 1 1 7 GLY O O -4.732 -10.803 -1.194 1.00 . A A . 7 GLY O 1 1 15 6881 1 1 8 LYS C C -0.945 -10.925 0.597 1.00 . A A . 8 LYS C 1 1 15 6882 1 1 8 LYS CA C -1.880 -10.906 -0.614 1.00 . A A . 8 LYS CA 1 1 15 6883 1 1 8 LYS CB C -1.040 -10.674 -1.889 1.00 . A A . 8 LYS CB 1 1 15 6884 1 1 8 LYS CD C -0.968 -9.898 -4.351 1.00 . A A . 8 LYS CD 1 1 15 6885 1 1 8 LYS CE C -0.311 -8.511 -4.414 1.00 . A A . 8 LYS CE 1 1 15 6886 1 1 8 LYS CG C -1.834 -10.176 -3.117 1.00 . A A . 8 LYS CG 1 1 15 6887 1 1 8 LYS H H -2.464 -8.938 -0.106 1.00 . A A . 8 LYS H 1 1 15 6888 1 1 8 LYS HA H -2.404 -11.861 -0.684 1.00 . A A . 8 LYS HA 1 1 15 6889 1 1 8 LYS HB2 H -0.273 -9.945 -1.644 1.00 . A A . 8 LYS HB2 1 1 15 6890 1 1 8 LYS HB3 H -0.535 -11.607 -2.146 1.00 . A A . 8 LYS HB3 1 1 15 6891 1 1 8 LYS HD2 H -0.206 -10.670 -4.443 1.00 . A A . 8 LYS HD2 1 1 15 6892 1 1 8 LYS HD3 H -1.629 -9.964 -5.213 1.00 . A A . 8 LYS HD3 1 1 15 6893 1 1 8 LYS HE2 H 0.238 -8.440 -5.358 1.00 . A A . 8 LYS HE2 1 1 15 6894 1 1 8 LYS HE3 H -1.090 -7.746 -4.431 1.00 . A A . 8 LYS HE3 1 1 15 6895 1 1 8 LYS HG2 H -2.566 -10.943 -3.376 1.00 . A A . 8 LYS HG2 1 1 15 6896 1 1 8 LYS HG3 H -2.369 -9.256 -2.890 1.00 . A A . 8 LYS HG3 1 1 15 6897 1 1 8 LYS HZ1 H 0.149 -8.121 -2.410 1.00 . A A . 8 LYS HZ1 1 1 15 6898 1 1 8 LYS HZ2 H 1.202 -7.439 -3.463 1.00 . A A . 8 LYS HZ2 1 1 15 6899 1 1 8 LYS HZ3 H 1.264 -9.037 -3.173 1.00 . A A . 8 LYS HZ3 1 1 15 6900 1 1 8 LYS N N -2.843 -9.804 -0.455 1.00 . A A . 8 LYS N 1 1 15 6901 1 1 8 LYS NZ N 0.621 -8.261 -3.298 1.00 . A A . 8 LYS NZ 1 1 15 6902 1 1 8 LYS O O -0.712 -9.864 1.170 1.00 . A A . 8 LYS O 1 1 15 6903 1 1 9 GLU C C 2.019 -11.600 1.733 1.00 . A A . 9 GLU C 1 1 15 6904 1 1 9 GLU CA C 0.607 -12.126 2.094 1.00 . A A . 9 GLU CA 1 1 15 6905 1 1 9 GLU CB C 0.646 -13.539 2.695 1.00 . A A . 9 GLU CB 1 1 15 6906 1 1 9 GLU CD C -0.411 -15.173 4.273 1.00 . A A . 9 GLU CD 1 1 15 6907 1 1 9 GLU CG C -0.651 -13.927 3.417 1.00 . A A . 9 GLU CG 1 1 15 6908 1 1 9 GLU H H -0.564 -12.907 0.468 1.00 . A A . 9 GLU H 1 1 15 6909 1 1 9 GLU HA H 0.256 -11.464 2.882 1.00 . A A . 9 GLU HA 1 1 15 6910 1 1 9 GLU HB2 H 0.847 -14.264 1.909 1.00 . A A . 9 GLU HB2 1 1 15 6911 1 1 9 GLU HB3 H 1.451 -13.586 3.429 1.00 . A A . 9 GLU HB3 1 1 15 6912 1 1 9 GLU HG2 H -0.958 -13.107 4.069 1.00 . A A . 9 GLU HG2 1 1 15 6913 1 1 9 GLU HG3 H -1.443 -14.105 2.690 1.00 . A A . 9 GLU HG3 1 1 15 6914 1 1 9 GLU N N -0.354 -12.053 0.978 1.00 . A A . 9 GLU N 1 1 15 6915 1 1 9 GLU O O 3.032 -12.253 1.989 1.00 . A A . 9 GLU O 1 1 15 6916 1 1 9 GLU OE1 O -0.522 -16.312 3.743 1.00 . A A . 9 GLU OE1 1 1 15 6917 1 1 9 GLU OE2 O -0.062 -15.034 5.466 1.00 . A A . 9 GLU OE2 1 1 15 6918 1 1 10 GLY C C 4.044 -8.938 1.683 1.00 . A A . 10 GLY C 1 1 15 6919 1 1 10 GLY CA C 3.372 -9.837 0.644 1.00 . A A . 10 GLY CA 1 1 15 6920 1 1 10 GLY H H 1.258 -9.897 0.960 1.00 . A A . 10 GLY H 1 1 15 6921 1 1 10 GLY HA2 H 4.070 -10.625 0.361 1.00 . A A . 10 GLY HA2 1 1 15 6922 1 1 10 GLY HA3 H 3.171 -9.230 -0.236 1.00 . A A . 10 GLY HA3 1 1 15 6923 1 1 10 GLY N N 2.109 -10.428 1.095 1.00 . A A . 10 GLY N 1 1 15 6924 1 1 10 GLY O O 5.277 -8.879 1.720 1.00 . A A . 10 GLY O 1 1 15 6925 1 1 11 HIS C C 2.495 -6.786 4.370 1.00 . A A . 11 HIS C 1 1 15 6926 1 1 11 HIS CA C 3.696 -7.286 3.530 1.00 . A A . 11 HIS CA 1 1 15 6927 1 1 11 HIS CB C 4.439 -6.102 2.866 1.00 . A A . 11 HIS CB 1 1 15 6928 1 1 11 HIS CD2 C 2.513 -4.812 1.788 1.00 . A A . 11 HIS CD2 1 1 15 6929 1 1 11 HIS CE1 C 3.207 -4.643 -0.275 1.00 . A A . 11 HIS CE1 1 1 15 6930 1 1 11 HIS CG C 3.706 -5.462 1.708 1.00 . A A . 11 HIS CG 1 1 15 6931 1 1 11 HIS H H 2.249 -8.359 2.422 1.00 . A A . 11 HIS H 1 1 15 6932 1 1 11 HIS HA H 4.376 -7.811 4.200 1.00 . A A . 11 HIS HA 1 1 15 6933 1 1 11 HIS HB2 H 4.622 -5.342 3.624 1.00 . A A . 11 HIS HB2 1 1 15 6934 1 1 11 HIS HB3 H 5.419 -6.437 2.523 1.00 . A A . 11 HIS HB3 1 1 15 6935 1 1 11 HIS HD1 H 5.029 -5.648 0.038 1.00 . A A . 11 HIS HD1 1 1 15 6936 1 1 11 HIS HD2 H 2.029 -4.561 2.726 1.00 . A A . 11 HIS HD2 1 1 15 6937 1 1 11 HIS HE1 H 3.318 -4.302 -1.297 1.00 . A A . 11 HIS HE1 1 1 15 6938 1 1 11 HIS N N 3.251 -8.221 2.489 1.00 . A A . 11 HIS N 1 1 15 6939 1 1 11 HIS ND1 N 4.132 -5.346 0.405 1.00 . A A . 11 HIS ND1 1 1 15 6940 1 1 11 HIS NE2 N 2.138 -4.369 0.499 1.00 . A A . 11 HIS NE2 1 1 15 6941 1 1 11 HIS O O 1.379 -7.290 4.234 1.00 . A A . 11 HIS O 1 1 15 6942 1 1 12 GLN C C 1.815 -3.456 5.492 1.00 . A A . 12 GLN C 1 1 15 6943 1 1 12 GLN CA C 1.665 -4.939 5.844 1.00 . A A . 12 GLN CA 1 1 15 6944 1 1 12 GLN CB C 1.743 -5.194 7.355 1.00 . A A . 12 GLN CB 1 1 15 6945 1 1 12 GLN CD C -0.221 -6.184 8.642 1.00 . A A . 12 GLN CD 1 1 15 6946 1 1 12 GLN CG C 0.432 -4.913 8.112 1.00 . A A . 12 GLN CG 1 1 15 6947 1 1 12 GLN H H 3.659 -5.454 5.326 1.00 . A A . 12 GLN H 1 1 15 6948 1 1 12 GLN HA H 0.678 -5.193 5.475 1.00 . A A . 12 GLN HA 1 1 15 6949 1 1 12 GLN HB2 H 2.041 -6.227 7.543 1.00 . A A . 12 GLN HB2 1 1 15 6950 1 1 12 GLN HB3 H 2.531 -4.558 7.748 1.00 . A A . 12 GLN HB3 1 1 15 6951 1 1 12 GLN HE21 H -0.486 -7.030 6.803 1.00 . A A . 12 GLN HE21 1 1 15 6952 1 1 12 GLN HE22 H -1.015 -7.957 8.189 1.00 . A A . 12 GLN HE22 1 1 15 6953 1 1 12 GLN HG2 H 0.648 -4.262 8.959 1.00 . A A . 12 GLN HG2 1 1 15 6954 1 1 12 GLN HG3 H -0.286 -4.413 7.469 1.00 . A A . 12 GLN HG3 1 1 15 6955 1 1 12 GLN N N 2.697 -5.751 5.189 1.00 . A A . 12 GLN N 1 1 15 6956 1 1 12 GLN NE2 N -0.598 -7.117 7.800 1.00 . A A . 12 GLN NE2 1 1 15 6957 1 1 12 GLN O O 2.739 -3.076 4.782 1.00 . A A . 12 GLN O 1 1 15 6958 1 1 12 GLN OE1 O -0.401 -6.351 9.839 1.00 . A A . 12 GLN OE1 1 1 15 6959 1 1 13 MET C C 2.116 -0.437 5.683 1.00 . A A . 13 MET C 1 1 15 6960 1 1 13 MET CA C 0.781 -1.174 5.676 1.00 . A A . 13 MET CA 1 1 15 6961 1 1 13 MET CB C -0.119 -0.531 6.736 1.00 . A A . 13 MET CB 1 1 15 6962 1 1 13 MET CE C -1.597 -1.792 9.498 1.00 . A A . 13 MET CE 1 1 15 6963 1 1 13 MET CG C -1.527 -1.098 6.793 1.00 . A A . 13 MET CG 1 1 15 6964 1 1 13 MET H H 0.196 -2.992 6.586 1.00 . A A . 13 MET H 1 1 15 6965 1 1 13 MET HA H 0.340 -1.012 4.696 1.00 . A A . 13 MET HA 1 1 15 6966 1 1 13 MET HB2 H 0.356 -0.618 7.715 1.00 . A A . 13 MET HB2 1 1 15 6967 1 1 13 MET HB3 H -0.235 0.514 6.496 1.00 . A A . 13 MET HB3 1 1 15 6968 1 1 13 MET HE1 H -2.010 -1.643 10.487 1.00 . A A . 13 MET HE1 1 1 15 6969 1 1 13 MET HE2 H -1.741 -2.828 9.215 1.00 . A A . 13 MET HE2 1 1 15 6970 1 1 13 MET HE3 H -0.536 -1.579 9.536 1.00 . A A . 13 MET HE3 1 1 15 6971 1 1 13 MET HG2 H -2.064 -0.741 5.923 1.00 . A A . 13 MET HG2 1 1 15 6972 1 1 13 MET HG3 H -1.494 -2.165 6.691 1.00 . A A . 13 MET HG3 1 1 15 6973 1 1 13 MET N N 0.899 -2.607 5.973 1.00 . A A . 13 MET N 1 1 15 6974 1 1 13 MET O O 2.351 0.383 4.801 1.00 . A A . 13 MET O 1 1 15 6975 1 1 13 MET SD S -2.422 -0.705 8.317 1.00 . A A . 13 MET SD 1 1 15 6976 1 1 14 LYS C C 5.327 -0.447 5.796 1.00 . A A . 14 LYS C 1 1 15 6977 1 1 14 LYS CA C 4.286 -0.138 6.872 1.00 . A A . 14 LYS CA 1 1 15 6978 1 1 14 LYS CB C 4.794 -0.572 8.257 1.00 . A A . 14 LYS CB 1 1 15 6979 1 1 14 LYS CD C 4.542 1.641 9.526 1.00 . A A . 14 LYS CD 1 1 15 6980 1 1 14 LYS CE C 3.516 2.557 10.203 1.00 . A A . 14 LYS CE 1 1 15 6981 1 1 14 LYS CG C 4.082 0.179 9.397 1.00 . A A . 14 LYS CG 1 1 15 6982 1 1 14 LYS H H 2.692 -1.470 7.310 1.00 . A A . 14 LYS H 1 1 15 6983 1 1 14 LYS HA H 4.151 0.941 6.836 1.00 . A A . 14 LYS HA 1 1 15 6984 1 1 14 LYS HB2 H 4.619 -1.643 8.377 1.00 . A A . 14 LYS HB2 1 1 15 6985 1 1 14 LYS HB3 H 5.870 -0.422 8.311 1.00 . A A . 14 LYS HB3 1 1 15 6986 1 1 14 LYS HD2 H 5.456 1.646 10.120 1.00 . A A . 14 LYS HD2 1 1 15 6987 1 1 14 LYS HD3 H 4.792 2.058 8.550 1.00 . A A . 14 LYS HD3 1 1 15 6988 1 1 14 LYS HE2 H 3.210 2.116 11.154 1.00 . A A . 14 LYS HE2 1 1 15 6989 1 1 14 LYS HE3 H 4.011 3.504 10.419 1.00 . A A . 14 LYS HE3 1 1 15 6990 1 1 14 LYS HG2 H 3.009 0.131 9.221 1.00 . A A . 14 LYS HG2 1 1 15 6991 1 1 14 LYS HG3 H 4.289 -0.338 10.335 1.00 . A A . 14 LYS HG3 1 1 15 6992 1 1 14 LYS HZ1 H 1.791 3.595 9.732 1.00 . A A . 14 LYS HZ1 1 1 15 6993 1 1 14 LYS HZ2 H 1.699 2.024 9.365 1.00 . A A . 14 LYS HZ2 1 1 15 6994 1 1 14 LYS HZ3 H 2.587 3.066 8.404 1.00 . A A . 14 LYS HZ3 1 1 15 6995 1 1 14 LYS N N 2.975 -0.756 6.655 1.00 . A A . 14 LYS N 1 1 15 6996 1 1 14 LYS NZ N 2.330 2.820 9.355 1.00 . A A . 14 LYS NZ 1 1 15 6997 1 1 14 LYS O O 6.300 0.295 5.684 1.00 . A A . 14 LYS O 1 1 15 6998 1 1 15 ASP C C 5.156 -1.617 2.517 1.00 . A A . 15 ASP C 1 1 15 6999 1 1 15 ASP CA C 5.925 -1.832 3.830 1.00 . A A . 15 ASP CA 1 1 15 7000 1 1 15 ASP CB C 6.384 -3.286 3.954 1.00 . A A . 15 ASP CB 1 1 15 7001 1 1 15 ASP CG C 7.877 -3.364 4.276 1.00 . A A . 15 ASP CG 1 1 15 7002 1 1 15 ASP H H 4.306 -2.093 5.207 1.00 . A A . 15 ASP H 1 1 15 7003 1 1 15 ASP HA H 6.803 -1.187 3.785 1.00 . A A . 15 ASP HA 1 1 15 7004 1 1 15 ASP HB2 H 5.767 -3.792 4.704 1.00 . A A . 15 ASP HB2 1 1 15 7005 1 1 15 ASP HB3 H 6.232 -3.798 3.002 1.00 . A A . 15 ASP HB3 1 1 15 7006 1 1 15 ASP N N 5.117 -1.505 5.014 1.00 . A A . 15 ASP N 1 1 15 7007 1 1 15 ASP O O 5.774 -1.432 1.463 1.00 . A A . 15 ASP O 1 1 15 7008 1 1 15 ASP OD1 O 8.682 -3.204 3.330 1.00 . A A . 15 ASP OD1 1 1 15 7009 1 1 15 ASP OD2 O 8.254 -3.558 5.458 1.00 . A A . 15 ASP OD2 1 1 15 7010 1 1 16 CYS C C 2.943 0.153 1.177 1.00 . A A . 16 CYS C 1 1 15 7011 1 1 16 CYS CA C 2.878 -1.334 1.546 1.00 . A A . 16 CYS CA 1 1 15 7012 1 1 16 CYS CB C 1.479 -1.794 2.001 1.00 . A A . 16 CYS CB 1 1 15 7013 1 1 16 CYS H H 3.433 -1.849 3.509 1.00 . A A . 16 CYS H 1 1 15 7014 1 1 16 CYS HA H 3.150 -1.912 0.671 1.00 . A A . 16 CYS HA 1 1 15 7015 1 1 16 CYS HB2 H 1.521 -2.743 2.497 1.00 . A A . 16 CYS HB2 1 1 15 7016 1 1 16 CYS HB3 H 1.118 -1.179 2.796 1.00 . A A . 16 CYS HB3 1 1 15 7017 1 1 16 CYS N N 3.823 -1.629 2.603 1.00 . A A . 16 CYS N 1 1 15 7018 1 1 16 CYS O O 3.661 0.549 0.262 1.00 . A A . 16 CYS O 1 1 15 7019 1 1 16 CYS SG S 0.327 -1.827 0.618 1.00 . A A . 16 CYS SG 1 1 15 7020 1 1 17 THR C C 0.940 2.570 0.425 1.00 . A A . 17 THR C 1 1 15 7021 1 1 17 THR CA C 1.858 2.379 1.641 1.00 . A A . 17 THR CA 1 1 15 7022 1 1 17 THR CB C 3.084 3.310 1.527 1.00 . A A . 17 THR CB 1 1 15 7023 1 1 17 THR CG2 C 4.170 3.032 2.566 1.00 . A A . 17 THR CG2 1 1 15 7024 1 1 17 THR H H 1.854 0.581 2.786 1.00 . A A . 17 THR H 1 1 15 7025 1 1 17 THR HA H 1.282 2.733 2.496 1.00 . A A . 17 THR HA 1 1 15 7026 1 1 17 THR HB H 2.762 4.348 1.611 1.00 . A A . 17 THR HB 1 1 15 7027 1 1 17 THR HG1 H 3.688 2.144 0.173 1.00 . A A . 17 THR HG1 1 1 15 7028 1 1 17 THR HG21 H 4.847 3.884 2.614 1.00 . A A . 17 THR HG21 1 1 15 7029 1 1 17 THR HG22 H 4.737 2.143 2.289 1.00 . A A . 17 THR HG22 1 1 15 7030 1 1 17 THR HG23 H 3.716 2.861 3.539 1.00 . A A . 17 THR HG23 1 1 15 7031 1 1 17 THR N N 2.231 0.984 1.940 1.00 . A A . 17 THR N 1 1 15 7032 1 1 17 THR O O 0.520 3.689 0.180 1.00 . A A . 17 THR O 1 1 15 7033 1 1 17 THR OG1 O 3.707 3.119 0.280 1.00 . A A . 17 THR OG1 1 1 15 7034 1 1 18 GLU C C -1.174 2.153 -2.125 1.00 . A A . 18 GLU C 1 1 15 7035 1 1 18 GLU CA C 0.256 1.687 -1.768 1.00 . A A . 18 GLU CA 1 1 15 7036 1 1 18 GLU CB C 0.585 0.386 -2.527 1.00 . A A . 18 GLU CB 1 1 15 7037 1 1 18 GLU CD C 3.013 0.828 -3.198 1.00 . A A . 18 GLU CD 1 1 15 7038 1 1 18 GLU CG C 2.026 -0.104 -2.482 1.00 . A A . 18 GLU CG 1 1 15 7039 1 1 18 GLU H H 0.754 0.596 -0.009 1.00 . A A . 18 GLU H 1 1 15 7040 1 1 18 GLU HA H 0.921 2.464 -2.143 1.00 . A A . 18 GLU HA 1 1 15 7041 1 1 18 GLU HB2 H -0.027 -0.408 -2.112 1.00 . A A . 18 GLU HB2 1 1 15 7042 1 1 18 GLU HB3 H 0.328 0.508 -3.573 1.00 . A A . 18 GLU HB3 1 1 15 7043 1 1 18 GLU HG2 H 2.292 -0.251 -1.448 1.00 . A A . 18 GLU HG2 1 1 15 7044 1 1 18 GLU HG3 H 2.059 -1.084 -2.960 1.00 . A A . 18 GLU HG3 1 1 15 7045 1 1 18 GLU N N 0.574 1.536 -0.336 1.00 . A A . 18 GLU N 1 1 15 7046 1 1 18 GLU O O -1.573 1.926 -3.260 1.00 . A A . 18 GLU O 1 1 15 7047 1 1 18 GLU OE1 O 3.410 1.890 -2.665 1.00 . A A . 18 GLU OE1 1 1 15 7048 1 1 18 GLU OE2 O 3.419 0.501 -4.338 1.00 . A A . 18 GLU OE2 1 1 15 7049 1 1 19 ARG C C -4.510 2.488 -1.299 1.00 . A A . 19 ARG C 1 1 15 7050 1 1 19 ARG CA C -3.273 3.393 -1.263 1.00 . A A . 19 ARG CA 1 1 15 7051 1 1 19 ARG CB C -3.300 4.526 -2.294 1.00 . A A . 19 ARG CB 1 1 15 7052 1 1 19 ARG CD C -4.136 5.000 -4.737 1.00 . A A . 19 ARG CD 1 1 15 7053 1 1 19 ARG CG C -3.244 4.181 -3.799 1.00 . A A . 19 ARG CG 1 1 15 7054 1 1 19 ARG CZ C -5.874 3.315 -5.358 1.00 . A A . 19 ARG CZ 1 1 15 7055 1 1 19 ARG H H -1.393 3.015 -0.375 1.00 . A A . 19 ARG H 1 1 15 7056 1 1 19 ARG HA H -3.414 3.875 -0.286 1.00 . A A . 19 ARG HA 1 1 15 7057 1 1 19 ARG HB2 H -4.156 5.138 -2.059 1.00 . A A . 19 ARG HB2 1 1 15 7058 1 1 19 ARG HB3 H -2.409 5.090 -2.104 1.00 . A A . 19 ARG HB3 1 1 15 7059 1 1 19 ARG HD2 H -4.160 6.036 -4.396 1.00 . A A . 19 ARG HD2 1 1 15 7060 1 1 19 ARG HD3 H -3.695 4.986 -5.737 1.00 . A A . 19 ARG HD3 1 1 15 7061 1 1 19 ARG HE H -6.220 4.993 -4.344 1.00 . A A . 19 ARG HE 1 1 15 7062 1 1 19 ARG HG2 H -2.214 4.326 -4.128 1.00 . A A . 19 ARG HG2 1 1 15 7063 1 1 19 ARG HG3 H -3.484 3.137 -3.951 1.00 . A A . 19 ARG HG3 1 1 15 7064 1 1 19 ARG HH11 H -4.065 2.759 -6.034 1.00 . A A . 19 ARG HH11 1 1 15 7065 1 1 19 ARG HH12 H -5.364 1.631 -6.354 1.00 . A A . 19 ARG HH12 1 1 15 7066 1 1 19 ARG HH21 H -7.828 3.604 -5.047 1.00 . A A . 19 ARG HH21 1 1 15 7067 1 1 19 ARG HH22 H -7.349 1.995 -5.578 1.00 . A A . 19 ARG HH22 1 1 15 7068 1 1 19 ARG N N -1.908 2.799 -1.204 1.00 . A A . 19 ARG N 1 1 15 7069 1 1 19 ARG NE N -5.507 4.468 -4.826 1.00 . A A . 19 ARG NE 1 1 15 7070 1 1 19 ARG NH1 N -5.043 2.498 -5.941 1.00 . A A . 19 ARG NH1 1 1 15 7071 1 1 19 ARG NH2 N -7.117 2.948 -5.346 1.00 . A A . 19 ARG NH2 1 1 15 7072 1 1 19 ARG O O -5.138 2.320 -2.366 1.00 . A A . 19 ARG O 1 1 15 7073 1 1 19 ARG OXT O -4.900 2.016 -0.221 1.00 . A A . 19 ARG OXT 1 1 15 7074 2 2 1 DT C1' C 9.509 4.609 2.258 1.00 . B B . 20 DT C1' 1 1 15 7075 2 2 1 DT C2 C 10.289 2.479 1.260 1.00 . B B . 20 DT C2 1 1 15 7076 2 2 1 DT C2' C 8.042 4.930 1.981 1.00 . B B . 20 DT C2' 1 1 15 7077 2 2 1 DT C3' C 7.974 6.419 2.319 1.00 . B B . 20 DT C3' 1 1 15 7078 2 2 1 DT C4 C 10.383 0.394 2.538 1.00 . B B . 20 DT C4 1 1 15 7079 2 2 1 DT C4' C 9.146 6.595 3.308 1.00 . B B . 20 DT C4' 1 1 15 7080 2 2 1 DT C5 C 9.865 1.144 3.682 1.00 . B B . 20 DT C5 1 1 15 7081 2 2 1 DT C5' C 8.761 7.208 4.665 1.00 . B B . 20 DT C5' 1 1 15 7082 2 2 1 DT C6 C 9.573 2.471 3.569 1.00 . B B . 20 DT C6 1 1 15 7083 2 2 1 DT C7 C 9.672 0.443 5.011 1.00 . B B . 20 DT C7 1 1 15 7084 2 2 1 DT H1' H 10.111 5.035 1.447 1.00 . B B . 20 DT H1' 1 1 15 7085 2 2 1 DT H2' H 7.397 4.367 2.659 1.00 . B B . 20 DT H2' 1 1 15 7086 2 2 1 DT H2'' H 7.773 4.736 0.944 1.00 . B B . 20 DT H2'' 1 1 15 7087 2 2 1 DT H3 H 10.887 0.638 0.580 1.00 . B B . 20 DT H3 1 1 15 7088 2 2 1 DT H3' H 7.012 6.661 2.774 1.00 . B B . 20 DT H3' 1 1 15 7089 2 2 1 DT H4' H 9.869 7.267 2.841 1.00 . B B . 20 DT H4' 1 1 15 7090 2 2 1 DT H5' H 9.629 7.164 5.322 1.00 . B B . 20 DT H5' 1 1 15 7091 2 2 1 DT H5'' H 8.512 8.253 4.510 1.00 . B B . 20 DT H5'' 1 1 15 7092 2 2 1 DT H6 H 9.193 3.016 4.423 1.00 . B B . 20 DT H6 1 1 15 7093 2 2 1 DT H71 H 10.619 0.012 5.332 1.00 . B B . 20 DT H71 1 1 15 7094 2 2 1 DT H72 H 8.947 -0.365 4.897 1.00 . B B . 20 DT H72 1 1 15 7095 2 2 1 DT H73 H 9.328 1.138 5.769 1.00 . B B . 20 DT H73 1 1 15 7096 2 2 1 DT HO5' H 7.158 7.231 5.820 1.00 . B B . 20 DT HO5' 1 1 15 7097 2 2 1 DT N1 N 9.786 3.147 2.383 1.00 . B B . 20 DT N1 1 1 15 7098 2 2 1 DT N3 N 10.540 1.131 1.388 1.00 . B B . 20 DT N3 1 1 15 7099 2 2 1 DT O2 O 10.517 3.030 0.186 1.00 . B B . 20 DT O2 1 1 15 7100 2 2 1 DT O3' O 8.194 7.185 1.138 1.00 . B B . 20 DT O3' 1 1 15 7101 2 2 1 DT O4 O 10.684 -0.796 2.520 1.00 . B B . 20 DT O4 1 1 15 7102 2 2 1 DT O4' O 9.772 5.324 3.452 1.00 . B B . 20 DT O4' 1 1 15 7103 2 2 1 DT O5' O 7.653 6.576 5.285 1.00 . B B . 20 DT O5' 1 1 15 7104 2 2 2 DA C1' C 3.916 7.959 -1.988 1.00 . B B . 21 DA C1' 1 1 15 7105 2 2 2 DA C2 C 8.205 7.560 -3.158 1.00 . B B . 21 DA C2 1 1 15 7106 2 2 2 DA C2' C 2.944 8.056 -0.802 1.00 . B B . 21 DA C2' 1 1 15 7107 2 2 2 DA C3' C 3.529 9.136 0.100 1.00 . B B . 21 DA C3' 1 1 15 7108 2 2 2 DA C4 C 6.263 6.887 -2.260 1.00 . B B . 21 DA C4 1 1 15 7109 2 2 2 DA C4' C 4.499 9.895 -0.819 1.00 . B B . 21 DA C4' 1 1 15 7110 2 2 2 DA C5 C 6.776 5.672 -1.875 1.00 . B B . 21 DA C5 1 1 15 7111 2 2 2 DA C5' C 5.924 9.997 -0.247 1.00 . B B . 21 DA C5' 1 1 15 7112 2 2 2 DA C6 C 8.154 5.515 -2.176 1.00 . B B . 21 DA C6 1 1 15 7113 2 2 2 DA C8 C 4.743 5.646 -1.274 1.00 . B B . 21 DA C8 1 1 15 7114 2 2 2 DA H1' H 3.347 7.731 -2.894 1.00 . B B . 21 DA H1' 1 1 15 7115 2 2 2 DA H2 H 8.798 8.293 -3.685 1.00 . B B . 21 DA H2 1 1 15 7116 2 2 2 DA H2' H 2.835 7.129 -0.243 1.00 . B B . 21 DA H2' 1 1 15 7117 2 2 2 DA H2'' H 1.974 8.333 -1.190 1.00 . B B . 21 DA H2'' 1 1 15 7118 2 2 2 DA H3' H 4.128 8.632 0.860 1.00 . B B . 21 DA H3' 1 1 15 7119 2 2 2 DA H4' H 4.139 10.915 -0.944 1.00 . B B . 21 DA H4' 1 1 15 7120 2 2 2 DA H5' H 6.577 10.392 -1.023 1.00 . B B . 21 DA H5' 1 1 15 7121 2 2 2 DA H5'' H 5.895 10.713 0.576 1.00 . B B . 21 DA H5'' 1 1 15 7122 2 2 2 DA H61 H 9.899 4.543 -2.127 1.00 . B B . 21 DA H61 1 1 15 7123 2 2 2 DA H62 H 8.531 3.658 -1.470 1.00 . B B . 21 DA H62 1 1 15 7124 2 2 2 DA H8 H 3.771 5.362 -0.872 1.00 . B B . 21 DA H8 1 1 15 7125 2 2 2 DA N1 N 8.846 6.462 -2.795 1.00 . B B . 21 DA N1 1 1 15 7126 2 2 2 DA N3 N 6.929 7.870 -2.952 1.00 . B B . 21 DA N3 1 1 15 7127 2 2 2 DA N6 N 8.909 4.461 -1.944 1.00 . B B . 21 DA N6 1 1 15 7128 2 2 2 DA N7 N 5.791 4.860 -1.283 1.00 . B B . 21 DA N7 1 1 15 7129 2 2 2 DA N9 N 4.947 6.893 -1.817 1.00 . B B . 21 DA N9 1 1 15 7130 2 2 2 DA O3' O 2.562 9.939 0.789 1.00 . B B . 21 DA O3' 1 1 15 7131 2 2 2 DA O4' O 4.465 9.264 -2.096 1.00 . B B . 21 DA O4' 1 1 15 7132 2 2 2 DA O5' O 6.461 8.771 0.238 1.00 . B B . 21 DA O5' 1 1 15 7133 2 2 2 DA OP1 O 8.895 9.400 0.270 1.00 . B B . 21 DA OP1 1 1 15 7134 2 2 2 DA OP2 O 7.540 9.239 2.428 1.00 . B B . 21 DA OP2 1 1 15 7135 2 2 2 DA P P 7.827 8.743 1.064 1.00 . B B . 21 DA P 1 1 15 7136 2 2 3 DC C1' C -2.258 7.171 0.055 1.00 . B B . 22 DC C1' 1 1 15 7137 2 2 3 DC C2 C -1.549 7.638 -2.319 1.00 . B B . 22 DC C2 1 1 15 7138 2 2 3 DC C2' C -1.801 6.986 1.518 1.00 . B B . 22 DC C2' 1 1 15 7139 2 2 3 DC C3' C -1.497 8.410 2.014 1.00 . B B . 22 DC C3' 1 1 15 7140 2 2 3 DC C4 C 0.288 6.632 -3.247 1.00 . B B . 22 DC C4 1 1 15 7141 2 2 3 DC C4' C -2.169 9.295 0.955 1.00 . B B . 22 DC C4' 1 1 15 7142 2 2 3 DC C5 C 0.655 6.056 -2.010 1.00 . B B . 22 DC C5 1 1 15 7143 2 2 3 DC C5' C -1.225 10.224 0.176 1.00 . B B . 22 DC C5' 1 1 15 7144 2 2 3 DC C6 C -0.111 6.342 -0.930 1.00 . B B . 22 DC C6 1 1 15 7145 2 2 3 DC H1' H -3.002 6.403 -0.174 1.00 . B B . 22 DC H1' 1 1 15 7146 2 2 3 DC H2' H -0.962 6.293 1.656 1.00 . B B . 22 DC H2' 1 1 15 7147 2 2 3 DC H2'' H -2.650 6.591 2.077 1.00 . B B . 22 DC H2'' 1 1 15 7148 2 2 3 DC H3' H -0.422 8.588 2.057 1.00 . B B . 22 DC H3' 1 1 15 7149 2 2 3 DC H4' H -2.898 9.937 1.453 1.00 . B B . 22 DC H4' 1 1 15 7150 2 2 3 DC H41 H 0.723 6.835 -5.178 1.00 . B B . 22 DC H41 1 1 15 7151 2 2 3 DC H42 H 1.690 5.662 -4.268 1.00 . B B . 22 DC H42 1 1 15 7152 2 2 3 DC H5 H 1.501 5.394 -1.912 1.00 . B B . 22 DC H5 1 1 15 7153 2 2 3 DC H5' H -1.624 10.383 -0.825 1.00 . B B . 22 DC H5' 1 1 15 7154 2 2 3 DC H5'' H -1.251 11.187 0.687 1.00 . B B . 22 DC H5'' 1 1 15 7155 2 2 3 DC H6 H 0.142 5.910 0.022 1.00 . B B . 22 DC H6 1 1 15 7156 2 2 3 DC N1 N -1.225 7.135 -1.042 1.00 . B B . 22 DC N1 1 1 15 7157 2 2 3 DC N3 N -0.771 7.392 -3.402 1.00 . B B . 22 DC N3 1 1 15 7158 2 2 3 DC N4 N 0.995 6.394 -4.309 1.00 . B B . 22 DC N4 1 1 15 7159 2 2 3 DC O2 O -2.570 8.283 -2.549 1.00 . B B . 22 DC O2 1 1 15 7160 2 2 3 DC O3' O -2.129 8.723 3.243 1.00 . B B . 22 DC O3' 1 1 15 7161 2 2 3 DC O4' O -2.903 8.426 0.109 1.00 . B B . 22 DC O4' 1 1 15 7162 2 2 3 DC O5' O 0.122 9.759 0.093 1.00 . B B . 22 DC O5' 1 1 15 7163 2 2 3 DC OP1 O 1.684 11.154 -1.263 1.00 . B B . 22 DC OP1 1 1 15 7164 2 2 3 DC OP2 O 1.034 11.850 1.087 1.00 . B B . 22 DC OP2 1 1 15 7165 2 2 3 DC P P 1.357 10.768 0.126 1.00 . B B . 22 DC P 1 1 15 7166 2 2 4 DG C1' C -0.653 3.462 4.515 1.00 . B B . 23 DG C1' 1 1 15 7167 2 2 4 DG C2 C 2.578 6.464 3.683 1.00 . B B . 23 DG C2 1 1 15 7168 2 2 4 DG C2' C -1.602 2.838 5.557 1.00 . B B . 23 DG C2' 1 1 15 7169 2 2 4 DG C3' C -2.644 3.914 5.848 1.00 . B B . 23 DG C3' 1 1 15 7170 2 2 4 DG C4 C 1.639 4.692 4.715 1.00 . B B . 23 DG C4 1 1 15 7171 2 2 4 DG C4' C -2.540 4.846 4.638 1.00 . B B . 23 DG C4' 1 1 15 7172 2 2 4 DG C5 C 2.772 4.433 5.465 1.00 . B B . 23 DG C5 1 1 15 7173 2 2 4 DG C5' C -2.687 6.342 4.971 1.00 . B B . 23 DG C5' 1 1 15 7174 2 2 4 DG C6 C 3.936 5.246 5.247 1.00 . B B . 23 DG C6 1 1 15 7175 2 2 4 DG C8 C 1.391 2.937 5.986 1.00 . B B . 23 DG C8 1 1 15 7176 2 2 4 DG H1 H 4.500 6.918 4.192 1.00 . B B . 23 DG H1 1 1 15 7177 2 2 4 DG H1' H -0.573 2.790 3.661 1.00 . B B . 23 DG H1' 1 1 15 7178 2 2 4 DG H2' H -1.102 2.610 6.490 1.00 . B B . 23 DG H2' 1 1 15 7179 2 2 4 DG H2'' H -2.029 1.897 5.182 1.00 . B B . 23 DG H2'' 1 1 15 7180 2 2 4 DG H21 H 3.335 8.134 2.845 1.00 . B B . 23 DG H21 1 1 15 7181 2 2 4 DG H22 H 1.631 7.768 2.530 1.00 . B B . 23 DG H22 1 1 15 7182 2 2 4 DG H3' H -2.325 4.465 6.726 1.00 . B B . 23 DG H3' 1 1 15 7183 2 2 4 DG H4' H -3.326 4.573 3.933 1.00 . B B . 23 DG H4' 1 1 15 7184 2 2 4 DG H5' H -3.319 6.774 4.197 1.00 . B B . 23 DG H5' 1 1 15 7185 2 2 4 DG H5'' H -3.199 6.474 5.924 1.00 . B B . 23 DG H5'' 1 1 15 7186 2 2 4 DG H8 H 0.964 2.050 6.409 1.00 . B B . 23 DG H8 1 1 15 7187 2 2 4 DG N1 N 3.752 6.252 4.323 1.00 . B B . 23 DG N1 1 1 15 7188 2 2 4 DG N2 N 2.514 7.543 2.951 1.00 . B B . 23 DG N2 1 1 15 7189 2 2 4 DG N3 N 1.497 5.699 3.795 1.00 . B B . 23 DG N3 1 1 15 7190 2 2 4 DG N7 N 2.591 3.323 6.295 1.00 . B B . 23 DG N7 1 1 15 7191 2 2 4 DG N9 N 0.716 3.718 5.073 1.00 . B B . 23 DG N9 1 1 15 7192 2 2 4 DG O3' O -3.903 3.280 6.082 1.00 . B B . 23 DG O3' 1 1 15 7193 2 2 4 DG O4' O -1.282 4.622 4.020 1.00 . B B . 23 DG O4' 1 1 15 7194 2 2 4 DG O5' O -1.451 7.051 4.992 1.00 . B B . 23 DG O5' 1 1 15 7195 2 2 4 DG O6 O 5.047 5.138 5.767 1.00 . B B . 23 DG O6 1 1 15 7196 2 2 4 DG OP1 O -2.285 9.319 5.601 1.00 . B B . 23 DG OP1 1 1 15 7197 2 2 4 DG OP2 O 0.001 9.041 4.503 1.00 . B B . 23 DG OP2 1 1 15 7198 2 2 4 DG P P -1.406 8.609 4.647 1.00 . B B . 23 DG P 1 1 15 7199 2 2 5 DC C1' C -6.297 4.641 1.169 1.00 . B B . 24 DC C1' 1 1 15 7200 2 2 5 DC C2 C -7.882 2.929 0.236 1.00 . B B . 24 DC C2 1 1 15 7201 2 2 5 DC C2' C -7.164 5.873 0.993 1.00 . B B . 24 DC C2' 1 1 15 7202 2 2 5 DC C3' C -7.464 6.269 2.426 1.00 . B B . 24 DC C3' 1 1 15 7203 2 2 5 DC C4 C -8.880 1.329 1.532 1.00 . B B . 24 DC C4 1 1 15 7204 2 2 5 DC C4' C -6.067 6.094 3.021 1.00 . B B . 24 DC C4' 1 1 15 7205 2 2 5 DC C5 C -8.228 1.794 2.704 1.00 . B B . 24 DC C5 1 1 15 7206 2 2 5 DC C5' C -6.038 5.894 4.554 1.00 . B B . 24 DC C5' 1 1 15 7207 2 2 5 DC C6 C -7.384 2.846 2.569 1.00 . B B . 24 DC C6 1 1 15 7208 2 2 5 DC H1' H -5.676 4.470 0.282 1.00 . B B . 24 DC H1' 1 1 15 7209 2 2 5 DC H2' H -8.025 5.649 0.386 1.00 . B B . 24 DC H2' 1 1 15 7210 2 2 5 DC H2'' H -6.613 6.680 0.558 1.00 . B B . 24 DC H2'' 1 1 15 7211 2 2 5 DC H3' H -8.127 5.541 2.859 1.00 . B B . 24 DC H3' 1 1 15 7212 2 2 5 DC H4' H -5.502 6.999 2.791 1.00 . B B . 24 DC H4' 1 1 15 7213 2 2 5 DC H41 H -10.070 -0.058 0.747 1.00 . B B . 24 DC H41 1 1 15 7214 2 2 5 DC H42 H -9.798 -0.164 2.486 1.00 . B B . 24 DC H42 1 1 15 7215 2 2 5 DC H5 H -8.378 1.329 3.661 1.00 . B B . 24 DC H5 1 1 15 7216 2 2 5 DC H5' H -5.262 6.530 4.962 1.00 . B B . 24 DC H5' 1 1 15 7217 2 2 5 DC H5'' H -6.978 6.237 4.985 1.00 . B B . 24 DC H5'' 1 1 15 7218 2 2 5 DC H6 H -6.858 3.225 3.427 1.00 . B B . 24 DC H6 1 1 15 7219 2 2 5 DC N1 N -7.179 3.431 1.345 1.00 . B B . 24 DC N1 1 1 15 7220 2 2 5 DC N3 N -8.747 1.889 0.350 1.00 . B B . 24 DC N3 1 1 15 7221 2 2 5 DC N4 N -9.700 0.322 1.601 1.00 . B B . 24 DC N4 1 1 15 7222 2 2 5 DC O2 O -7.821 3.459 -0.874 1.00 . B B . 24 DC O2 1 1 15 7223 2 2 5 DC O3' O -7.981 7.582 2.550 1.00 . B B . 24 DC O3' 1 1 15 7224 2 2 5 DC O4' O -5.488 5.004 2.294 1.00 . B B . 24 DC O4' 1 1 15 7225 2 2 5 DC O5' O -5.784 4.539 4.916 1.00 . B B . 24 DC O5' 1 1 15 7226 2 2 5 DC OP1 O -4.984 5.229 7.223 1.00 . B B . 24 DC OP1 1 1 15 7227 2 2 5 DC OP2 O -6.241 3.047 6.819 1.00 . B B . 24 DC OP2 1 1 15 7228 2 2 5 DC P P -5.279 4.066 6.355 1.00 . B B . 24 DC P 1 1 15 7229 2 2 6 DC C1' C -11.958 3.719 4.840 1.00 . B B . 25 DC C1' 1 1 15 7230 2 2 6 DC C2 C -13.094 1.990 3.438 1.00 . B B . 25 DC C2 1 1 15 7231 2 2 6 DC C2' C -10.533 3.307 5.245 1.00 . B B . 25 DC C2' 1 1 15 7232 2 2 6 DC C3' C -9.684 4.556 5.033 1.00 . B B . 25 DC C3' 1 1 15 7233 2 2 6 DC C4 C -12.885 1.968 1.152 1.00 . B B . 25 DC C4 1 1 15 7234 2 2 6 DC C4' C -10.739 5.646 5.251 1.00 . B B . 25 DC C4' 1 1 15 7235 2 2 6 DC C5 C -12.110 3.156 1.153 1.00 . B B . 25 DC C5 1 1 15 7236 2 2 6 DC C5' C -10.375 6.967 4.569 1.00 . B B . 25 DC C5' 1 1 15 7237 2 2 6 DC C6 C -11.848 3.733 2.350 1.00 . B B . 25 DC C6 1 1 15 7238 2 2 6 DC H1' H -12.667 3.367 5.598 1.00 . B B . 25 DC H1' 1 1 15 7239 2 2 6 DC H2' H -10.166 2.469 4.652 1.00 . B B . 25 DC H2' 1 1 15 7240 2 2 6 DC H2'' H -10.535 3.037 6.301 1.00 . B B . 25 DC H2'' 1 1 15 7241 2 2 6 DC H3' H -9.278 4.612 4.011 1.00 . B B . 25 DC H3' 1 1 15 7242 2 2 6 DC H4' H -10.829 5.822 6.324 1.00 . B B . 25 DC H4' 1 1 15 7243 2 2 6 DC H41 H -13.721 0.527 0.066 1.00 . B B . 25 DC H41 1 1 15 7244 2 2 6 DC H42 H -12.785 1.726 -0.824 1.00 . B B . 25 DC H42 1 1 15 7245 2 2 6 DC H5 H -11.740 3.605 0.244 1.00 . B B . 25 DC H5 1 1 15 7246 2 2 6 DC H5' H -11.129 7.718 4.810 1.00 . B B . 25 DC H5' 1 1 15 7247 2 2 6 DC H5'' H -9.415 7.298 4.970 1.00 . B B . 25 DC H5'' 1 1 15 7248 2 2 6 DC H6 H -11.270 4.649 2.402 1.00 . B B . 25 DC H6 1 1 15 7249 2 2 6 DC HO3' H -7.963 3.983 5.861 1.00 . B B . 25 DC HO3' 1 1 15 7250 2 2 6 DC N1 N -12.322 3.161 3.506 1.00 . B B . 25 DC N1 1 1 15 7251 2 2 6 DC N3 N -13.388 1.417 2.241 1.00 . B B . 25 DC N3 1 1 15 7252 2 2 6 DC N4 N -13.160 1.354 0.040 1.00 . B B . 25 DC N4 1 1 15 7253 2 2 6 DC O2 O -13.503 1.421 4.455 1.00 . B B . 25 DC O2 1 1 15 7254 2 2 6 DC O3' O -8.672 4.625 6.028 1.00 . B B . 25 DC O3' 1 1 15 7255 2 2 6 DC O4' O -11.981 5.137 4.786 1.00 . B B . 25 DC O4' 1 1 15 7256 2 2 6 DC O5' O -10.277 6.815 3.157 1.00 . B B . 25 DC O5' 1 1 15 7257 2 2 6 DC OP1 O -9.821 7.627 0.833 1.00 . B B . 25 DC OP1 1 1 15 7258 2 2 6 DC OP2 O -9.792 9.233 2.807 1.00 . B B . 25 DC OP2 1 1 15 7259 2 2 6 DC P P -9.518 7.891 2.257 1.00 . B B . 25 DC P 1 1 15 7260 3 3 1 ZN ZN ZN 0.291 -3.717 0.169 1.00 . C A . 26 ZN ZN 1 1 16 7261 1 1 1 LYS C C -4.054 -11.824 5.348 1.00 . A A . 1 LYS C 1 1 16 7262 1 1 1 LYS CA C -5.458 -11.945 5.956 1.00 . A A . 1 LYS CA 1 1 16 7263 1 1 1 LYS CB C -6.459 -12.352 4.861 1.00 . A A . 1 LYS CB 1 1 16 7264 1 1 1 LYS CD C -8.365 -13.988 4.391 1.00 . A A . 1 LYS CD 1 1 16 7265 1 1 1 LYS CE C -8.966 -13.167 3.247 1.00 . A A . 1 LYS CE 1 1 16 7266 1 1 1 LYS CG C -7.675 -13.095 5.439 1.00 . A A . 1 LYS CG 1 1 16 7267 1 1 1 LYS H1 H -5.196 -10.503 7.411 1.00 . A A . 1 LYS H1 1 1 16 7268 1 1 1 LYS H2 H -6.769 -10.934 7.205 1.00 . A A . 1 LYS H2 1 1 16 7269 1 1 1 LYS H3 H -6.041 -9.954 6.100 1.00 . A A . 1 LYS H3 1 1 16 7270 1 1 1 LYS HA H -5.385 -12.773 6.660 1.00 . A A . 1 LYS HA 1 1 16 7271 1 1 1 LYS HB2 H -6.784 -11.474 4.301 1.00 . A A . 1 LYS HB2 1 1 16 7272 1 1 1 LYS HB3 H -5.951 -13.024 4.167 1.00 . A A . 1 LYS HB3 1 1 16 7273 1 1 1 LYS HD2 H -7.634 -14.694 3.993 1.00 . A A . 1 LYS HD2 1 1 16 7274 1 1 1 LYS HD3 H -9.164 -14.549 4.880 1.00 . A A . 1 LYS HD3 1 1 16 7275 1 1 1 LYS HE2 H -9.815 -12.599 3.632 1.00 . A A . 1 LYS HE2 1 1 16 7276 1 1 1 LYS HE3 H -8.220 -12.452 2.884 1.00 . A A . 1 LYS HE3 1 1 16 7277 1 1 1 LYS HG2 H -7.348 -13.741 6.254 1.00 . A A . 1 LYS HG2 1 1 16 7278 1 1 1 LYS HG3 H -8.392 -12.375 5.836 1.00 . A A . 1 LYS HG3 1 1 16 7279 1 1 1 LYS HZ1 H -9.832 -13.427 1.392 1.00 . A A . 1 LYS HZ1 1 1 16 7280 1 1 1 LYS HZ2 H -10.101 -14.700 2.390 1.00 . A A . 1 LYS HZ2 1 1 16 7281 1 1 1 LYS HZ3 H -8.619 -14.482 1.680 1.00 . A A . 1 LYS HZ3 1 1 16 7282 1 1 1 LYS N N -5.898 -10.748 6.719 1.00 . A A . 1 LYS N 1 1 16 7283 1 1 1 LYS NZ N -9.408 -14.009 2.109 1.00 . A A . 1 LYS NZ 1 1 16 7284 1 1 1 LYS O O -3.345 -12.830 5.337 1.00 . A A . 1 LYS O 1 1 16 7285 1 1 2 GLY C C -2.116 -8.874 4.148 1.00 . A A . 2 GLY C 1 1 16 7286 1 1 2 GLY CA C -2.394 -10.386 4.134 1.00 . A A . 2 GLY CA 1 1 16 7287 1 1 2 GLY H H -4.308 -9.875 4.874 1.00 . A A . 2 GLY H 1 1 16 7288 1 1 2 GLY HA2 H -1.571 -10.909 4.621 1.00 . A A . 2 GLY HA2 1 1 16 7289 1 1 2 GLY HA3 H -2.439 -10.749 3.105 1.00 . A A . 2 GLY HA3 1 1 16 7290 1 1 2 GLY N N -3.669 -10.661 4.814 1.00 . A A . 2 GLY N 1 1 16 7291 1 1 2 GLY O O -2.069 -8.264 5.223 1.00 . A A . 2 GLY O 1 1 16 7292 1 1 3 CYS C C -3.203 -6.125 3.226 1.00 . A A . 3 CYS C 1 1 16 7293 1 1 3 CYS CA C -1.913 -6.822 2.759 1.00 . A A . 3 CYS CA 1 1 16 7294 1 1 3 CYS CB C -1.647 -6.528 1.269 1.00 . A A . 3 CYS CB 1 1 16 7295 1 1 3 CYS H H -1.851 -8.857 2.154 1.00 . A A . 3 CYS H 1 1 16 7296 1 1 3 CYS HA H -1.082 -6.423 3.339 1.00 . A A . 3 CYS HA 1 1 16 7297 1 1 3 CYS HB2 H -0.923 -7.231 0.867 1.00 . A A . 3 CYS HB2 1 1 16 7298 1 1 3 CYS HB3 H -2.584 -6.699 0.762 1.00 . A A . 3 CYS HB3 1 1 16 7299 1 1 3 CYS N N -1.962 -8.269 2.965 1.00 . A A . 3 CYS N 1 1 16 7300 1 1 3 CYS O O -4.255 -6.724 3.470 1.00 . A A . 3 CYS O 1 1 16 7301 1 1 3 CYS SG S -1.105 -4.812 0.977 1.00 . A A . 3 CYS SG 1 1 16 7302 1 1 4 TRP C C -4.922 -3.396 2.323 1.00 . A A . 4 TRP C 1 1 16 7303 1 1 4 TRP CA C -4.156 -3.848 3.571 1.00 . A A . 4 TRP CA 1 1 16 7304 1 1 4 TRP CB C -3.466 -2.676 4.259 1.00 . A A . 4 TRP CB 1 1 16 7305 1 1 4 TRP CD1 C -5.272 -0.896 4.543 1.00 . A A . 4 TRP CD1 1 1 16 7306 1 1 4 TRP CD2 C -3.446 -0.226 3.435 1.00 . A A . 4 TRP CD2 1 1 16 7307 1 1 4 TRP CE2 C -4.338 0.876 3.436 1.00 . A A . 4 TRP CE2 1 1 16 7308 1 1 4 TRP CE3 C -2.177 -0.064 2.860 1.00 . A A . 4 TRP CE3 1 1 16 7309 1 1 4 TRP CG C -4.077 -1.339 4.093 1.00 . A A . 4 TRP CG 1 1 16 7310 1 1 4 TRP CH2 C -2.730 2.211 2.207 1.00 . A A . 4 TRP CH2 1 1 16 7311 1 1 4 TRP CZ2 C -3.986 2.085 2.826 1.00 . A A . 4 TRP CZ2 1 1 16 7312 1 1 4 TRP CZ3 C -1.825 1.136 2.256 1.00 . A A . 4 TRP CZ3 1 1 16 7313 1 1 4 TRP H H -2.216 -4.450 2.935 1.00 . A A . 4 TRP H 1 1 16 7314 1 1 4 TRP HA H -4.887 -4.284 4.251 1.00 . A A . 4 TRP HA 1 1 16 7315 1 1 4 TRP HB2 H -3.331 -2.851 5.313 1.00 . A A . 4 TRP HB2 1 1 16 7316 1 1 4 TRP HB3 H -2.458 -2.602 3.853 1.00 . A A . 4 TRP HB3 1 1 16 7317 1 1 4 TRP HD1 H -5.989 -1.483 5.112 1.00 . A A . 4 TRP HD1 1 1 16 7318 1 1 4 TRP HE1 H -6.227 0.976 4.434 1.00 . A A . 4 TRP HE1 1 1 16 7319 1 1 4 TRP HE3 H -1.465 -0.869 2.902 1.00 . A A . 4 TRP HE3 1 1 16 7320 1 1 4 TRP HH2 H -2.452 3.148 1.746 1.00 . A A . 4 TRP HH2 1 1 16 7321 1 1 4 TRP HZ2 H -4.675 2.907 2.848 1.00 . A A . 4 TRP HZ2 1 1 16 7322 1 1 4 TRP HZ3 H -0.848 1.179 1.840 1.00 . A A . 4 TRP HZ3 1 1 16 7323 1 1 4 TRP N N -3.101 -4.807 3.268 1.00 . A A . 4 TRP N 1 1 16 7324 1 1 4 TRP NE1 N -5.423 0.423 4.161 1.00 . A A . 4 TRP NE1 1 1 16 7325 1 1 4 TRP O O -6.152 -3.321 2.362 1.00 . A A . 4 TRP O 1 1 16 7326 1 1 5 LYS C C -4.726 -3.723 -1.222 1.00 . A A . 5 LYS C 1 1 16 7327 1 1 5 LYS CA C -4.841 -2.716 -0.076 1.00 . A A . 5 LYS CA 1 1 16 7328 1 1 5 LYS CB C -4.347 -1.307 -0.466 1.00 . A A . 5 LYS CB 1 1 16 7329 1 1 5 LYS CD C -2.739 -1.356 -2.527 1.00 . A A . 5 LYS CD 1 1 16 7330 1 1 5 LYS CE C -3.048 -0.125 -3.397 1.00 . A A . 5 LYS CE 1 1 16 7331 1 1 5 LYS CG C -2.910 -1.172 -1.000 1.00 . A A . 5 LYS CG 1 1 16 7332 1 1 5 LYS H H -3.223 -3.265 1.241 1.00 . A A . 5 LYS H 1 1 16 7333 1 1 5 LYS HA H -5.916 -2.607 0.080 1.00 . A A . 5 LYS HA 1 1 16 7334 1 1 5 LYS HB2 H -5.016 -0.918 -1.222 1.00 . A A . 5 LYS HB2 1 1 16 7335 1 1 5 LYS HB3 H -4.441 -0.663 0.411 1.00 . A A . 5 LYS HB3 1 1 16 7336 1 1 5 LYS HD2 H -1.684 -1.571 -2.695 1.00 . A A . 5 LYS HD2 1 1 16 7337 1 1 5 LYS HD3 H -3.295 -2.219 -2.884 1.00 . A A . 5 LYS HD3 1 1 16 7338 1 1 5 LYS HE2 H -2.895 0.789 -2.821 1.00 . A A . 5 LYS HE2 1 1 16 7339 1 1 5 LYS HE3 H -2.323 -0.113 -4.218 1.00 . A A . 5 LYS HE3 1 1 16 7340 1 1 5 LYS HG2 H -2.529 -0.183 -0.739 1.00 . A A . 5 LYS HG2 1 1 16 7341 1 1 5 LYS HG3 H -2.284 -1.902 -0.487 1.00 . A A . 5 LYS HG3 1 1 16 7342 1 1 5 LYS HZ1 H -4.663 -1.042 -4.351 1.00 . A A . 5 LYS HZ1 1 1 16 7343 1 1 5 LYS HZ2 H -4.388 0.495 -4.810 1.00 . A A . 5 LYS HZ2 1 1 16 7344 1 1 5 LYS HZ3 H -5.100 0.233 -3.350 1.00 . A A . 5 LYS HZ3 1 1 16 7345 1 1 5 LYS N N -4.228 -3.155 1.199 1.00 . A A . 5 LYS N 1 1 16 7346 1 1 5 LYS NZ N -4.404 -0.123 -3.998 1.00 . A A . 5 LYS NZ 1 1 16 7347 1 1 5 LYS O O -5.592 -3.742 -2.097 1.00 . A A . 5 LYS O 1 1 16 7348 1 1 6 CYS C C -4.246 -6.664 -2.377 1.00 . A A . 6 CYS C 1 1 16 7349 1 1 6 CYS CA C -3.365 -5.402 -2.380 1.00 . A A . 6 CYS CA 1 1 16 7350 1 1 6 CYS CB C -1.861 -5.715 -2.365 1.00 . A A . 6 CYS CB 1 1 16 7351 1 1 6 CYS H H -2.996 -4.472 -0.501 1.00 . A A . 6 CYS H 1 1 16 7352 1 1 6 CYS HA H -3.571 -4.851 -3.293 1.00 . A A . 6 CYS HA 1 1 16 7353 1 1 6 CYS HB2 H -1.632 -6.412 -1.558 1.00 . A A . 6 CYS HB2 1 1 16 7354 1 1 6 CYS HB3 H -1.604 -6.178 -3.323 1.00 . A A . 6 CYS HB3 1 1 16 7355 1 1 6 CYS N N -3.685 -4.553 -1.233 1.00 . A A . 6 CYS N 1 1 16 7356 1 1 6 CYS O O -5.012 -6.922 -3.301 1.00 . A A . 6 CYS O 1 1 16 7357 1 1 6 CYS SG S -0.924 -4.182 -2.151 1.00 . A A . 6 CYS SG 1 1 16 7358 1 1 7 GLY C C -4.146 -9.895 -0.862 1.00 . A A . 7 GLY C 1 1 16 7359 1 1 7 GLY CA C -4.942 -8.591 -0.941 1.00 . A A . 7 GLY CA 1 1 16 7360 1 1 7 GLY H H -3.542 -7.042 -0.576 1.00 . A A . 7 GLY H 1 1 16 7361 1 1 7 GLY HA2 H -5.345 -8.415 0.051 1.00 . A A . 7 GLY HA2 1 1 16 7362 1 1 7 GLY HA3 H -5.746 -8.719 -1.661 1.00 . A A . 7 GLY HA3 1 1 16 7363 1 1 7 GLY N N -4.152 -7.407 -1.277 1.00 . A A . 7 GLY N 1 1 16 7364 1 1 7 GLY O O -4.728 -10.977 -0.955 1.00 . A A . 7 GLY O 1 1 16 7365 1 1 8 LYS C C -0.924 -10.853 0.459 1.00 . A A . 8 LYS C 1 1 16 7366 1 1 8 LYS CA C -1.824 -10.864 -0.783 1.00 . A A . 8 LYS CA 1 1 16 7367 1 1 8 LYS CB C -0.948 -10.641 -2.031 1.00 . A A . 8 LYS CB 1 1 16 7368 1 1 8 LYS CD C -0.713 -9.910 -4.483 1.00 . A A . 8 LYS CD 1 1 16 7369 1 1 8 LYS CE C -0.117 -8.491 -4.587 1.00 . A A . 8 LYS CE 1 1 16 7370 1 1 8 LYS CG C -1.674 -10.153 -3.304 1.00 . A A . 8 LYS CG 1 1 16 7371 1 1 8 LYS H H -2.466 -8.862 -0.535 1.00 . A A . 8 LYS H 1 1 16 7372 1 1 8 LYS HA H -2.317 -11.837 -0.861 1.00 . A A . 8 LYS HA 1 1 16 7373 1 1 8 LYS HB2 H -0.187 -9.906 -1.770 1.00 . A A . 8 LYS HB2 1 1 16 7374 1 1 8 LYS HB3 H -0.437 -11.574 -2.265 1.00 . A A . 8 LYS HB3 1 1 16 7375 1 1 8 LYS HD2 H 0.093 -10.645 -4.457 1.00 . A A . 8 LYS HD2 1 1 16 7376 1 1 8 LYS HD3 H -1.281 -10.074 -5.399 1.00 . A A . 8 LYS HD3 1 1 16 7377 1 1 8 LYS HE2 H 0.560 -8.471 -5.448 1.00 . A A . 8 LYS HE2 1 1 16 7378 1 1 8 LYS HE3 H -0.926 -7.782 -4.787 1.00 . A A . 8 LYS HE3 1 1 16 7379 1 1 8 LYS HG2 H -2.393 -10.915 -3.599 1.00 . A A . 8 LYS HG2 1 1 16 7380 1 1 8 LYS HG3 H -2.218 -9.225 -3.119 1.00 . A A . 8 LYS HG3 1 1 16 7381 1 1 8 LYS HZ1 H 0.007 -7.989 -2.585 1.00 . A A . 8 LYS HZ1 1 1 16 7382 1 1 8 LYS HZ2 H 1.121 -7.197 -3.512 1.00 . A A . 8 LYS HZ2 1 1 16 7383 1 1 8 LYS HZ3 H 1.340 -8.780 -3.137 1.00 . A A . 8 LYS HZ3 1 1 16 7384 1 1 8 LYS N N -2.825 -9.789 -0.694 1.00 . A A . 8 LYS N 1 1 16 7385 1 1 8 LYS NZ N 0.631 -8.083 -3.372 1.00 . A A . 8 LYS NZ 1 1 16 7386 1 1 8 LYS O O -0.683 -9.770 0.985 1.00 . A A . 8 LYS O 1 1 16 7387 1 1 9 GLU C C 1.984 -11.586 1.733 1.00 . A A . 9 GLU C 1 1 16 7388 1 1 9 GLU CA C 0.553 -12.093 2.041 1.00 . A A . 9 GLU CA 1 1 16 7389 1 1 9 GLU CB C 0.579 -13.530 2.584 1.00 . A A . 9 GLU CB 1 1 16 7390 1 1 9 GLU CD C -0.504 -15.292 3.979 1.00 . A A . 9 GLU CD 1 1 16 7391 1 1 9 GLU CG C -0.739 -13.991 3.206 1.00 . A A . 9 GLU CG 1 1 16 7392 1 1 9 GLU H H -0.578 -12.827 0.386 1.00 . A A . 9 GLU H 1 1 16 7393 1 1 9 GLU HA H 0.174 -11.465 2.845 1.00 . A A . 9 GLU HA 1 1 16 7394 1 1 9 GLU HB2 H 0.844 -14.209 1.775 1.00 . A A . 9 GLU HB2 1 1 16 7395 1 1 9 GLU HB3 H 1.347 -13.594 3.356 1.00 . A A . 9 GLU HB3 1 1 16 7396 1 1 9 GLU HG2 H -1.105 -13.221 3.884 1.00 . A A . 9 GLU HG2 1 1 16 7397 1 1 9 GLU HG3 H -1.482 -14.147 2.421 1.00 . A A . 9 GLU HG3 1 1 16 7398 1 1 9 GLU N N -0.385 -11.983 0.905 1.00 . A A . 9 GLU N 1 1 16 7399 1 1 9 GLU O O 2.983 -12.283 1.958 1.00 . A A . 9 GLU O 1 1 16 7400 1 1 9 GLU OE1 O -0.476 -16.375 3.347 1.00 . A A . 9 GLU OE1 1 1 16 7401 1 1 9 GLU OE2 O -0.275 -15.238 5.213 1.00 . A A . 9 GLU OE2 1 1 16 7402 1 1 10 GLY C C 4.017 -8.974 1.995 1.00 . A A . 10 GLY C 1 1 16 7403 1 1 10 GLY CA C 3.390 -9.758 0.838 1.00 . A A . 10 GLY CA 1 1 16 7404 1 1 10 GLY H H 1.255 -9.856 1.027 1.00 . A A . 10 GLY H 1 1 16 7405 1 1 10 GLY HA2 H 4.095 -10.518 0.504 1.00 . A A . 10 GLY HA2 1 1 16 7406 1 1 10 GLY HA3 H 3.215 -9.067 0.017 1.00 . A A . 10 GLY HA3 1 1 16 7407 1 1 10 GLY N N 2.107 -10.380 1.180 1.00 . A A . 10 GLY N 1 1 16 7408 1 1 10 GLY O O 5.209 -9.113 2.274 1.00 . A A . 10 GLY O 1 1 16 7409 1 1 11 HIS C C 2.363 -6.658 4.460 1.00 . A A . 11 HIS C 1 1 16 7410 1 1 11 HIS CA C 3.592 -7.370 3.862 1.00 . A A . 11 HIS CA 1 1 16 7411 1 1 11 HIS CB C 4.677 -6.333 3.501 1.00 . A A . 11 HIS CB 1 1 16 7412 1 1 11 HIS CD2 C 3.267 -4.891 1.939 1.00 . A A . 11 HIS CD2 1 1 16 7413 1 1 11 HIS CE1 C 4.660 -4.664 0.256 1.00 . A A . 11 HIS CE1 1 1 16 7414 1 1 11 HIS CG C 4.403 -5.582 2.237 1.00 . A A . 11 HIS CG 1 1 16 7415 1 1 11 HIS H H 2.247 -8.089 2.392 1.00 . A A . 11 HIS H 1 1 16 7416 1 1 11 HIS HA H 3.983 -8.040 4.628 1.00 . A A . 11 HIS HA 1 1 16 7417 1 1 11 HIS HB2 H 4.791 -5.626 4.321 1.00 . A A . 11 HIS HB2 1 1 16 7418 1 1 11 HIS HB3 H 5.632 -6.829 3.379 1.00 . A A . 11 HIS HB3 1 1 16 7419 1 1 11 HIS HD1 H 6.257 -5.657 1.164 1.00 . A A . 11 HIS HD1 1 1 16 7420 1 1 11 HIS HD2 H 2.430 -4.683 2.595 1.00 . A A . 11 HIS HD2 1 1 16 7421 1 1 11 HIS HE1 H 5.094 -4.271 -0.650 1.00 . A A . 11 HIS HE1 1 1 16 7422 1 1 11 HIS N N 3.216 -8.148 2.673 1.00 . A A . 11 HIS N 1 1 16 7423 1 1 11 HIS ND1 N 5.270 -5.416 1.181 1.00 . A A . 11 HIS ND1 1 1 16 7424 1 1 11 HIS NE2 N 3.422 -4.381 0.658 1.00 . A A . 11 HIS NE2 1 1 16 7425 1 1 11 HIS O O 1.223 -6.919 4.081 1.00 . A A . 11 HIS O 1 1 16 7426 1 1 12 GLN C C 1.857 -3.388 5.601 1.00 . A A . 12 GLN C 1 1 16 7427 1 1 12 GLN CA C 1.663 -4.844 6.034 1.00 . A A . 12 GLN CA 1 1 16 7428 1 1 12 GLN CB C 1.858 -5.087 7.536 1.00 . A A . 12 GLN CB 1 1 16 7429 1 1 12 GLN CD C 0.910 -6.228 9.575 1.00 . A A . 12 GLN CD 1 1 16 7430 1 1 12 GLN CG C 0.625 -5.769 8.152 1.00 . A A . 12 GLN CG 1 1 16 7431 1 1 12 GLN H H 3.587 -5.575 5.607 1.00 . A A . 12 GLN H 1 1 16 7432 1 1 12 GLN HA H 0.634 -5.041 5.739 1.00 . A A . 12 GLN HA 1 1 16 7433 1 1 12 GLN HB2 H 2.718 -5.736 7.714 1.00 . A A . 12 GLN HB2 1 1 16 7434 1 1 12 GLN HB3 H 2.098 -4.147 8.018 1.00 . A A . 12 GLN HB3 1 1 16 7435 1 1 12 GLN HE21 H 0.934 -4.348 10.274 1.00 . A A . 12 GLN HE21 1 1 16 7436 1 1 12 GLN HE22 H 1.323 -5.591 11.440 1.00 . A A . 12 GLN HE22 1 1 16 7437 1 1 12 GLN HG2 H -0.216 -5.079 8.149 1.00 . A A . 12 GLN HG2 1 1 16 7438 1 1 12 GLN HG3 H 0.364 -6.643 7.555 1.00 . A A . 12 GLN HG3 1 1 16 7439 1 1 12 GLN N N 2.612 -5.726 5.371 1.00 . A A . 12 GLN N 1 1 16 7440 1 1 12 GLN NE2 N 1.150 -5.318 10.481 1.00 . A A . 12 GLN NE2 1 1 16 7441 1 1 12 GLN O O 2.716 -3.082 4.779 1.00 . A A . 12 GLN O 1 1 16 7442 1 1 12 GLN OE1 O 0.920 -7.410 9.895 1.00 . A A . 12 GLN OE1 1 1 16 7443 1 1 13 MET C C 2.293 -0.349 5.796 1.00 . A A . 13 MET C 1 1 16 7444 1 1 13 MET CA C 0.973 -1.094 5.605 1.00 . A A . 13 MET CA 1 1 16 7445 1 1 13 MET CB C -0.189 -0.311 6.227 1.00 . A A . 13 MET CB 1 1 16 7446 1 1 13 MET CE C -3.120 0.173 8.203 1.00 . A A . 13 MET CE 1 1 16 7447 1 1 13 MET CG C -1.496 -1.085 6.333 1.00 . A A . 13 MET CG 1 1 16 7448 1 1 13 MET H H 0.361 -2.756 6.813 1.00 . A A . 13 MET H 1 1 16 7449 1 1 13 MET HA H 0.797 -1.117 4.532 1.00 . A A . 13 MET HA 1 1 16 7450 1 1 13 MET HB2 H 0.096 0.060 7.214 1.00 . A A . 13 MET HB2 1 1 16 7451 1 1 13 MET HB3 H -0.382 0.524 5.559 1.00 . A A . 13 MET HB3 1 1 16 7452 1 1 13 MET HE1 H -3.577 0.180 9.193 1.00 . A A . 13 MET HE1 1 1 16 7453 1 1 13 MET HE2 H -2.483 1.050 8.096 1.00 . A A . 13 MET HE2 1 1 16 7454 1 1 13 MET HE3 H -3.908 0.204 7.449 1.00 . A A . 13 MET HE3 1 1 16 7455 1 1 13 MET HG2 H -2.246 -0.577 5.754 1.00 . A A . 13 MET HG2 1 1 16 7456 1 1 13 MET HG3 H -1.383 -2.037 5.843 1.00 . A A . 13 MET HG3 1 1 16 7457 1 1 13 MET N N 1.028 -2.475 6.105 1.00 . A A . 13 MET N 1 1 16 7458 1 1 13 MET O O 2.637 0.463 4.942 1.00 . A A . 13 MET O 1 1 16 7459 1 1 13 MET SD S -2.140 -1.341 8.000 1.00 . A A . 13 MET SD 1 1 16 7460 1 1 14 LYS C C 5.437 -0.595 5.963 1.00 . A A . 14 LYS C 1 1 16 7461 1 1 14 LYS CA C 4.445 -0.232 7.075 1.00 . A A . 14 LYS CA 1 1 16 7462 1 1 14 LYS CB C 4.966 -0.815 8.399 1.00 . A A . 14 LYS CB 1 1 16 7463 1 1 14 LYS CD C 4.094 1.226 9.740 1.00 . A A . 14 LYS CD 1 1 16 7464 1 1 14 LYS CE C 2.806 1.783 9.105 1.00 . A A . 14 LYS CE 1 1 16 7465 1 1 14 LYS CG C 4.294 -0.294 9.677 1.00 . A A . 14 LYS CG 1 1 16 7466 1 1 14 LYS H H 2.658 -1.339 7.512 1.00 . A A . 14 LYS H 1 1 16 7467 1 1 14 LYS HA H 4.475 0.852 7.116 1.00 . A A . 14 LYS HA 1 1 16 7468 1 1 14 LYS HB2 H 4.874 -1.900 8.376 1.00 . A A . 14 LYS HB2 1 1 16 7469 1 1 14 LYS HB3 H 6.029 -0.590 8.477 1.00 . A A . 14 LYS HB3 1 1 16 7470 1 1 14 LYS HD2 H 4.096 1.507 10.789 1.00 . A A . 14 LYS HD2 1 1 16 7471 1 1 14 LYS HD3 H 4.952 1.704 9.267 1.00 . A A . 14 LYS HD3 1 1 16 7472 1 1 14 LYS HE2 H 2.763 2.857 9.305 1.00 . A A . 14 LYS HE2 1 1 16 7473 1 1 14 LYS HE3 H 2.857 1.659 8.021 1.00 . A A . 14 LYS HE3 1 1 16 7474 1 1 14 LYS HG2 H 3.347 -0.797 9.822 1.00 . A A . 14 LYS HG2 1 1 16 7475 1 1 14 LYS HG3 H 4.931 -0.586 10.512 1.00 . A A . 14 LYS HG3 1 1 16 7476 1 1 14 LYS HZ1 H 1.483 0.169 9.365 1.00 . A A . 14 LYS HZ1 1 1 16 7477 1 1 14 LYS HZ2 H 0.741 1.643 9.303 1.00 . A A . 14 LYS HZ2 1 1 16 7478 1 1 14 LYS HZ3 H 1.504 1.167 10.636 1.00 . A A . 14 LYS HZ3 1 1 16 7479 1 1 14 LYS N N 3.055 -0.682 6.847 1.00 . A A . 14 LYS N 1 1 16 7480 1 1 14 LYS NZ N 1.571 1.148 9.621 1.00 . A A . 14 LYS NZ 1 1 16 7481 1 1 14 LYS O O 6.544 -0.063 5.949 1.00 . A A . 14 LYS O 1 1 16 7482 1 1 15 ASP C C 5.134 -1.700 2.555 1.00 . A A . 15 ASP C 1 1 16 7483 1 1 15 ASP CA C 5.858 -1.909 3.908 1.00 . A A . 15 ASP CA 1 1 16 7484 1 1 15 ASP CB C 6.314 -3.361 4.115 1.00 . A A . 15 ASP CB 1 1 16 7485 1 1 15 ASP CG C 7.798 -3.539 4.461 1.00 . A A . 15 ASP CG 1 1 16 7486 1 1 15 ASP H H 4.150 -1.935 5.193 1.00 . A A . 15 ASP H 1 1 16 7487 1 1 15 ASP HA H 6.756 -1.306 3.861 1.00 . A A . 15 ASP HA 1 1 16 7488 1 1 15 ASP HB2 H 5.709 -3.812 4.903 1.00 . A A . 15 ASP HB2 1 1 16 7489 1 1 15 ASP HB3 H 6.131 -3.896 3.192 1.00 . A A . 15 ASP HB3 1 1 16 7490 1 1 15 ASP N N 5.055 -1.496 5.063 1.00 . A A . 15 ASP N 1 1 16 7491 1 1 15 ASP O O 5.816 -1.528 1.543 1.00 . A A . 15 ASP O 1 1 16 7492 1 1 15 ASP OD1 O 8.325 -2.819 5.345 1.00 . A A . 15 ASP OD1 1 1 16 7493 1 1 15 ASP OD2 O 8.431 -4.448 3.865 1.00 . A A . 15 ASP OD2 1 1 16 7494 1 1 16 CYS C C 2.938 0.060 0.977 1.00 . A A . 16 CYS C 1 1 16 7495 1 1 16 CYS CA C 2.995 -1.430 1.311 1.00 . A A . 16 CYS CA 1 1 16 7496 1 1 16 CYS CB C 1.597 -2.064 1.495 1.00 . A A . 16 CYS CB 1 1 16 7497 1 1 16 CYS H H 3.294 -1.849 3.374 1.00 . A A . 16 CYS H 1 1 16 7498 1 1 16 CYS HA H 3.489 -1.940 0.494 1.00 . A A . 16 CYS HA 1 1 16 7499 1 1 16 CYS HB2 H 1.691 -3.025 1.945 1.00 . A A . 16 CYS HB2 1 1 16 7500 1 1 16 CYS HB3 H 1.049 -1.552 2.260 1.00 . A A . 16 CYS HB3 1 1 16 7501 1 1 16 CYS N N 3.793 -1.656 2.521 1.00 . A A . 16 CYS N 1 1 16 7502 1 1 16 CYS O O 3.575 0.539 0.031 1.00 . A A . 16 CYS O 1 1 16 7503 1 1 16 CYS SG S 0.674 -2.257 -0.055 1.00 . A A . 16 CYS SG 1 1 16 7504 1 1 17 THR C C 1.463 2.627 0.286 1.00 . A A . 17 THR C 1 1 16 7505 1 1 17 THR CA C 1.896 2.215 1.712 1.00 . A A . 17 THR CA 1 1 16 7506 1 1 17 THR CB C 3.010 3.027 2.426 1.00 . A A . 17 THR CB 1 1 16 7507 1 1 17 THR CG2 C 4.456 2.697 2.070 1.00 . A A . 17 THR CG2 1 1 16 7508 1 1 17 THR H H 1.809 0.284 2.602 1.00 . A A . 17 THR H 1 1 16 7509 1 1 17 THR HA H 1.012 2.396 2.321 1.00 . A A . 17 THR HA 1 1 16 7510 1 1 17 THR HB H 2.915 2.802 3.487 1.00 . A A . 17 THR HB 1 1 16 7511 1 1 17 THR HG1 H 3.700 4.839 2.230 1.00 . A A . 17 THR HG1 1 1 16 7512 1 1 17 THR HG21 H 5.137 3.357 2.605 1.00 . A A . 17 THR HG21 1 1 16 7513 1 1 17 THR HG22 H 4.597 2.798 1.000 1.00 . A A . 17 THR HG22 1 1 16 7514 1 1 17 THR HG23 H 4.689 1.676 2.375 1.00 . A A . 17 THR HG23 1 1 16 7515 1 1 17 THR N N 2.171 0.779 1.805 1.00 . A A . 17 THR N 1 1 16 7516 1 1 17 THR O O 1.875 3.657 -0.228 1.00 . A A . 17 THR O 1 1 16 7517 1 1 17 THR OG1 O 2.823 4.414 2.297 1.00 . A A . 17 THR OG1 1 1 16 7518 1 1 18 GLU C C -1.165 2.624 -2.133 1.00 . A A . 18 GLU C 1 1 16 7519 1 1 18 GLU CA C 0.240 2.055 -1.813 1.00 . A A . 18 GLU CA 1 1 16 7520 1 1 18 GLU CB C 0.505 0.795 -2.644 1.00 . A A . 18 GLU CB 1 1 16 7521 1 1 18 GLU CD C 2.507 -0.253 -3.858 1.00 . A A . 18 GLU CD 1 1 16 7522 1 1 18 GLU CG C 1.967 0.365 -2.570 1.00 . A A . 18 GLU CG 1 1 16 7523 1 1 18 GLU H H 0.511 0.873 -0.029 1.00 . A A . 18 GLU H 1 1 16 7524 1 1 18 GLU HA H 0.912 2.807 -2.221 1.00 . A A . 18 GLU HA 1 1 16 7525 1 1 18 GLU HB2 H -0.130 -0.017 -2.299 1.00 . A A . 18 GLU HB2 1 1 16 7526 1 1 18 GLU HB3 H 0.260 1.019 -3.677 1.00 . A A . 18 GLU HB3 1 1 16 7527 1 1 18 GLU HG2 H 2.588 1.228 -2.314 1.00 . A A . 18 GLU HG2 1 1 16 7528 1 1 18 GLU HG3 H 2.053 -0.361 -1.769 1.00 . A A . 18 GLU HG3 1 1 16 7529 1 1 18 GLU N N 0.621 1.820 -0.390 1.00 . A A . 18 GLU N 1 1 16 7530 1 1 18 GLU O O -1.543 2.660 -3.304 1.00 . A A . 18 GLU O 1 1 16 7531 1 1 18 GLU OE1 O 1.744 -0.879 -4.639 1.00 . A A . 18 GLU OE1 1 1 16 7532 1 1 18 GLU OE2 O 3.737 -0.157 -4.063 1.00 . A A . 18 GLU OE2 1 1 16 7533 1 1 19 ARG C C -4.360 2.556 -1.658 1.00 . A A . 19 ARG C 1 1 16 7534 1 1 19 ARG CA C -3.322 3.611 -1.246 1.00 . A A . 19 ARG CA 1 1 16 7535 1 1 19 ARG CB C -3.393 4.834 -2.190 1.00 . A A . 19 ARG CB 1 1 16 7536 1 1 19 ARG CD C -4.688 6.828 -3.033 1.00 . A A . 19 ARG CD 1 1 16 7537 1 1 19 ARG CG C -4.608 5.744 -1.948 1.00 . A A . 19 ARG CG 1 1 16 7538 1 1 19 ARG CZ C -5.212 9.268 -3.079 1.00 . A A . 19 ARG CZ 1 1 16 7539 1 1 19 ARG H H -1.555 2.976 -0.214 1.00 . A A . 19 ARG H 1 1 16 7540 1 1 19 ARG HA H -3.595 3.935 -0.236 1.00 . A A . 19 ARG HA 1 1 16 7541 1 1 19 ARG HB2 H -2.491 5.416 -2.091 1.00 . A A . 19 ARG HB2 1 1 16 7542 1 1 19 ARG HB3 H -3.408 4.503 -3.227 1.00 . A A . 19 ARG HB3 1 1 16 7543 1 1 19 ARG HD2 H -3.674 7.076 -3.343 1.00 . A A . 19 ARG HD2 1 1 16 7544 1 1 19 ARG HD3 H -5.213 6.431 -3.905 1.00 . A A . 19 ARG HD3 1 1 16 7545 1 1 19 ARG HE H -5.952 8.002 -1.759 1.00 . A A . 19 ARG HE 1 1 16 7546 1 1 19 ARG HG2 H -5.522 5.154 -1.957 1.00 . A A . 19 ARG HG2 1 1 16 7547 1 1 19 ARG HG3 H -4.518 6.208 -0.967 1.00 . A A . 19 ARG HG3 1 1 16 7548 1 1 19 ARG HH11 H -3.925 8.776 -4.536 1.00 . A A . 19 ARG HH11 1 1 16 7549 1 1 19 ARG HH12 H -4.346 10.468 -4.407 1.00 . A A . 19 ARG HH12 1 1 16 7550 1 1 19 ARG HH21 H -6.376 10.124 -1.693 1.00 . A A . 19 ARG HH21 1 1 16 7551 1 1 19 ARG HH22 H -5.651 11.224 -2.844 1.00 . A A . 19 ARG HH22 1 1 16 7552 1 1 19 ARG N N -1.931 3.096 -1.138 1.00 . A A . 19 ARG N 1 1 16 7553 1 1 19 ARG NE N -5.353 8.058 -2.569 1.00 . A A . 19 ARG NE 1 1 16 7554 1 1 19 ARG NH1 N -4.499 9.513 -4.139 1.00 . A A . 19 ARG NH1 1 1 16 7555 1 1 19 ARG NH2 N -5.796 10.277 -2.505 1.00 . A A . 19 ARG NH2 1 1 16 7556 1 1 19 ARG O O -4.813 2.530 -2.823 1.00 . A A . 19 ARG O 1 1 16 7557 1 1 19 ARG OXT O -4.782 1.767 -0.802 1.00 . A A . 19 ARG OXT 1 1 16 7558 2 2 1 DT C1' C 10.152 3.578 2.622 1.00 . B B . 20 DT C1' 1 1 16 7559 2 2 1 DT C2 C 11.733 1.836 3.516 1.00 . B B . 20 DT C2 1 1 16 7560 2 2 1 DT C2' C 8.654 3.844 2.442 1.00 . B B . 20 DT C2' 1 1 16 7561 2 2 1 DT C3' C 8.549 5.360 2.574 1.00 . B B . 20 DT C3' 1 1 16 7562 2 2 1 DT C4 C 11.234 -0.561 3.346 1.00 . B B . 20 DT C4 1 1 16 7563 2 2 1 DT C4' C 9.792 5.709 3.411 1.00 . B B . 20 DT C4' 1 1 16 7564 2 2 1 DT C5 C 10.056 -0.188 2.568 1.00 . B B . 20 DT C5 1 1 16 7565 2 2 1 DT C5' C 9.463 6.451 4.715 1.00 . B B . 20 DT C5' 1 1 16 7566 2 2 1 DT C6 C 9.725 1.119 2.385 1.00 . B B . 20 DT C6 1 1 16 7567 2 2 1 DT C7 C 9.213 -1.266 1.913 1.00 . B B . 20 DT C7 1 1 16 7568 2 2 1 DT H1' H 10.671 3.878 1.706 1.00 . B B . 20 DT H1' 1 1 16 7569 2 2 1 DT H2' H 8.087 3.372 3.245 1.00 . B B . 20 DT H2' 1 1 16 7570 2 2 1 DT H2'' H 8.290 3.515 1.466 1.00 . B B . 20 DT H2'' 1 1 16 7571 2 2 1 DT H3 H 12.938 0.276 4.069 1.00 . B B . 20 DT H3 1 1 16 7572 2 2 1 DT H3' H 7.627 5.622 3.093 1.00 . B B . 20 DT H3' 1 1 16 7573 2 2 1 DT H4' H 10.443 6.350 2.816 1.00 . B B . 20 DT H4' 1 1 16 7574 2 2 1 DT H5' H 10.362 6.541 5.320 1.00 . B B . 20 DT H5' 1 1 16 7575 2 2 1 DT H5'' H 9.131 7.459 4.466 1.00 . B B . 20 DT H5'' 1 1 16 7576 2 2 1 DT H6 H 8.850 1.348 1.798 1.00 . B B . 20 DT H6 1 1 16 7577 2 2 1 DT H71 H 9.853 -1.891 1.289 1.00 . B B . 20 DT H71 1 1 16 7578 2 2 1 DT H72 H 8.426 -0.834 1.299 1.00 . B B . 20 DT H72 1 1 16 7579 2 2 1 DT H73 H 8.771 -1.893 2.681 1.00 . B B . 20 DT H73 1 1 16 7580 2 2 1 DT HO5' H 7.866 6.490 5.876 1.00 . B B . 20 DT HO5' 1 1 16 7581 2 2 1 DT N1 N 10.497 2.143 2.911 1.00 . B B . 20 DT N1 1 1 16 7582 2 2 1 DT N3 N 12.015 0.503 3.736 1.00 . B B . 20 DT N3 1 1 16 7583 2 2 1 DT O2 O 12.591 2.668 3.826 1.00 . B B . 20 DT O2 1 1 16 7584 2 2 1 DT O3' O 8.580 5.946 1.280 1.00 . B B . 20 DT O3' 1 1 16 7585 2 2 1 DT O4 O 11.580 -1.704 3.649 1.00 . B B . 20 DT O4 1 1 16 7586 2 2 1 DT O4' O 10.478 4.489 3.664 1.00 . B B . 20 DT O4' 1 1 16 7587 2 2 1 DT O5' O 8.445 5.808 5.472 1.00 . B B . 20 DT O5' 1 1 16 7588 2 2 2 DA C1' C 4.620 6.820 -2.155 1.00 . B B . 21 DA C1' 1 1 16 7589 2 2 2 DA C2 C 8.887 5.683 -2.793 1.00 . B B . 21 DA C2 1 1 16 7590 2 2 2 DA C2' C 3.582 7.168 -1.077 1.00 . B B . 21 DA C2' 1 1 16 7591 2 2 2 DA C3' C 4.243 8.259 -0.240 1.00 . B B . 21 DA C3' 1 1 16 7592 2 2 2 DA C4 C 6.776 5.383 -2.099 1.00 . B B . 21 DA C4 1 1 16 7593 2 2 2 DA C4' C 5.348 8.802 -1.155 1.00 . B B . 21 DA C4' 1 1 16 7594 2 2 2 DA C5 C 7.052 4.150 -1.566 1.00 . B B . 21 DA C5 1 1 16 7595 2 2 2 DA C5' C 6.704 8.862 -0.439 1.00 . B B . 21 DA C5' 1 1 16 7596 2 2 2 DA C6 C 8.414 3.767 -1.664 1.00 . B B . 21 DA C6 1 1 16 7597 2 2 2 DA C8 C 4.987 4.463 -1.236 1.00 . B B . 21 DA C8 1 1 16 7598 2 2 2 DA H1' H 4.101 6.593 -3.091 1.00 . B B . 21 DA H1' 1 1 16 7599 2 2 2 DA H2 H 9.632 6.279 -3.302 1.00 . B B . 21 DA H2 1 1 16 7600 2 2 2 DA H2' H 3.308 6.326 -0.442 1.00 . B B . 21 DA H2' 1 1 16 7601 2 2 2 DA H2'' H 2.688 7.523 -1.570 1.00 . B B . 21 DA H2'' 1 1 16 7602 2 2 2 DA H3' H 4.723 7.764 0.599 1.00 . B B . 21 DA H3' 1 1 16 7603 2 2 2 DA H4' H 5.088 9.816 -1.459 1.00 . B B . 21 DA H4' 1 1 16 7604 2 2 2 DA H5' H 7.460 9.213 -1.139 1.00 . B B . 21 DA H5' 1 1 16 7605 2 2 2 DA H5'' H 6.624 9.596 0.364 1.00 . B B . 21 DA H5'' 1 1 16 7606 2 2 2 DA H61 H 9.855 2.389 -1.414 1.00 . B B . 21 DA H61 1 1 16 7607 2 2 2 DA H62 H 8.247 1.927 -0.891 1.00 . B B . 21 DA H62 1 1 16 7608 2 2 2 DA H8 H 3.946 4.358 -0.960 1.00 . B B . 21 DA H8 1 1 16 7609 2 2 2 DA N1 N 9.325 4.554 -2.247 1.00 . B B . 21 DA N1 1 1 16 7610 2 2 2 DA N3 N 7.654 6.181 -2.787 1.00 . B B . 21 DA N3 1 1 16 7611 2 2 2 DA N6 N 8.896 2.628 -1.205 1.00 . B B . 21 DA N6 1 1 16 7612 2 2 2 DA N7 N 5.894 3.534 -1.062 1.00 . B B . 21 DA N7 1 1 16 7613 2 2 2 DA N9 N 5.444 5.627 -1.805 1.00 . B B . 21 DA N9 1 1 16 7614 2 2 2 DA O3' O 3.383 9.268 0.300 1.00 . B B . 21 DA O3' 1 1 16 7615 2 2 2 DA O4' O 5.396 7.997 -2.327 1.00 . B B . 21 DA O4' 1 1 16 7616 2 2 2 DA O5' O 7.099 7.613 0.116 1.00 . B B . 21 DA O5' 1 1 16 7617 2 2 2 DA OP1 O 9.555 8.005 0.298 1.00 . B B . 21 DA OP1 1 1 16 7618 2 2 2 DA OP2 O 8.013 8.159 2.326 1.00 . B B . 21 DA OP2 1 1 16 7619 2 2 2 DA P P 8.378 7.513 1.051 1.00 . B B . 21 DA P 1 1 16 7620 2 2 3 DC C1' C -1.775 7.111 0.003 1.00 . B B . 22 DC C1' 1 1 16 7621 2 2 3 DC C2 C -1.008 7.731 -2.331 1.00 . B B . 22 DC C2 1 1 16 7622 2 2 3 DC C2' C -1.279 6.753 1.415 1.00 . B B . 22 DC C2' 1 1 16 7623 2 2 3 DC C3' C -0.590 8.036 1.863 1.00 . B B . 22 DC C3' 1 1 16 7624 2 2 3 DC C4 C 0.642 6.568 -3.407 1.00 . B B . 22 DC C4 1 1 16 7625 2 2 3 DC C4' C -1.220 9.104 0.970 1.00 . B B . 22 DC C4' 1 1 16 7626 2 2 3 DC C5 C 0.841 5.725 -2.293 1.00 . B B . 22 DC C5 1 1 16 7627 2 2 3 DC C5' C -0.228 9.958 0.178 1.00 . B B . 22 DC C5' 1 1 16 7628 2 2 3 DC C6 C 0.107 5.963 -1.178 1.00 . B B . 22 DC C6 1 1 16 7629 2 2 3 DC H1' H -2.637 6.490 -0.218 1.00 . B B . 22 DC H1' 1 1 16 7630 2 2 3 DC H2' H -0.594 5.907 1.458 1.00 . B B . 22 DC H2' 1 1 16 7631 2 2 3 DC H2'' H -2.148 6.534 2.030 1.00 . B B . 22 DC H2'' 1 1 16 7632 2 2 3 DC H3' H 0.462 7.932 1.590 1.00 . B B . 22 DC H3' 1 1 16 7633 2 2 3 DC H4' H -1.733 9.810 1.602 1.00 . B B . 22 DC H4' 1 1 16 7634 2 2 3 DC H41 H 1.353 7.126 -5.180 1.00 . B B . 22 DC H41 1 1 16 7635 2 2 3 DC H42 H 2.107 5.710 -4.430 1.00 . B B . 22 DC H42 1 1 16 7636 2 2 3 DC H5 H 1.578 4.941 -2.307 1.00 . B B . 22 DC H5 1 1 16 7637 2 2 3 DC H5' H -0.740 10.426 -0.660 1.00 . B B . 22 DC H5' 1 1 16 7638 2 2 3 DC H5'' H 0.065 10.735 0.877 1.00 . B B . 22 DC H5'' 1 1 16 7639 2 2 3 DC H6 H 0.245 5.334 -0.313 1.00 . B B . 22 DC H6 1 1 16 7640 2 2 3 DC N1 N -0.810 6.986 -1.146 1.00 . B B . 22 DC N1 1 1 16 7641 2 2 3 DC N3 N -0.260 7.524 -3.441 1.00 . B B . 22 DC N3 1 1 16 7642 2 2 3 DC N4 N 1.400 6.437 -4.448 1.00 . B B . 22 DC N4 1 1 16 7643 2 2 3 DC O2 O -1.903 8.558 -2.479 1.00 . B B . 22 DC O2 1 1 16 7644 2 2 3 DC O3' O -0.643 8.337 3.257 1.00 . B B . 22 DC O3' 1 1 16 7645 2 2 3 DC O4' O -2.197 8.447 0.185 1.00 . B B . 22 DC O4' 1 1 16 7646 2 2 3 DC O5' O 0.942 9.301 -0.297 1.00 . B B . 22 DC O5' 1 1 16 7647 2 2 3 DC OP1 O 2.627 10.115 -1.974 1.00 . B B . 22 DC OP1 1 1 16 7648 2 2 3 DC OP2 O 2.183 11.431 0.152 1.00 . B B . 22 DC OP2 1 1 16 7649 2 2 3 DC P P 2.297 10.118 -0.532 1.00 . B B . 22 DC P 1 1 16 7650 2 2 4 DG C1' C -0.837 3.646 4.591 1.00 . B B . 23 DG C1' 1 1 16 7651 2 2 4 DG C2 C 2.230 6.904 4.345 1.00 . B B . 23 DG C2 1 1 16 7652 2 2 4 DG C2' C -1.839 3.012 5.579 1.00 . B B . 23 DG C2' 1 1 16 7653 2 2 4 DG C3' C -2.894 4.094 5.850 1.00 . B B . 23 DG C3' 1 1 16 7654 2 2 4 DG C4 C 1.396 4.921 5.027 1.00 . B B . 23 DG C4 1 1 16 7655 2 2 4 DG C4' C -2.782 4.917 4.558 1.00 . B B . 23 DG C4' 1 1 16 7656 2 2 4 DG C5 C 2.578 4.557 5.638 1.00 . B B . 23 DG C5 1 1 16 7657 2 2 4 DG C5' C -3.222 6.385 4.618 1.00 . B B . 23 DG C5' 1 1 16 7658 2 2 4 DG C6 C 3.688 5.471 5.592 1.00 . B B . 23 DG C6 1 1 16 7659 2 2 4 DG C8 C 1.247 2.947 5.929 1.00 . B B . 23 DG C8 1 1 16 7660 2 2 4 DG H1 H 4.197 7.268 4.761 1.00 . B B . 23 DG H1 1 1 16 7661 2 2 4 DG H1' H -0.754 2.999 3.719 1.00 . B B . 23 DG H1' 1 1 16 7662 2 2 4 DG H2' H -1.368 2.708 6.506 1.00 . B B . 23 DG H2' 1 1 16 7663 2 2 4 DG H2'' H -2.269 2.107 5.132 1.00 . B B . 23 DG H2'' 1 1 16 7664 2 2 4 DG H21 H 2.796 8.779 3.804 1.00 . B B . 23 DG H21 1 1 16 7665 2 2 4 DG H22 H 1.121 8.292 3.536 1.00 . B B . 23 DG H22 1 1 16 7666 2 2 4 DG H3' H -2.584 4.713 6.691 1.00 . B B . 23 DG H3' 1 1 16 7667 2 2 4 DG H4' H -3.406 4.426 3.815 1.00 . B B . 23 DG H4' 1 1 16 7668 2 2 4 DG H5' H -3.620 6.639 3.635 1.00 . B B . 23 DG H5' 1 1 16 7669 2 2 4 DG H5'' H -4.035 6.475 5.324 1.00 . B B . 23 DG H5'' 1 1 16 7670 2 2 4 DG H8 H 0.844 1.999 6.230 1.00 . B B . 23 DG H8 1 1 16 7671 2 2 4 DG N1 N 3.432 6.632 4.902 1.00 . B B . 23 DG N1 1 1 16 7672 2 2 4 DG N2 N 2.064 8.086 3.838 1.00 . B B . 23 DG N2 1 1 16 7673 2 2 4 DG N3 N 1.161 6.115 4.406 1.00 . B B . 23 DG N3 1 1 16 7674 2 2 4 DG N7 N 2.465 3.296 6.226 1.00 . B B . 23 DG N7 1 1 16 7675 2 2 4 DG N9 N 0.525 3.853 5.189 1.00 . B B . 23 DG N9 1 1 16 7676 2 2 4 DG O3' O -4.159 3.459 6.091 1.00 . B B . 23 DG O3' 1 1 16 7677 2 2 4 DG O4' O -1.432 4.842 4.138 1.00 . B B . 23 DG O4' 1 1 16 7678 2 2 4 DG O5' O -2.219 7.315 5.014 1.00 . B B . 23 DG O5' 1 1 16 7679 2 2 4 DG O6 O 4.809 5.343 6.089 1.00 . B B . 23 DG O6 1 1 16 7680 2 2 4 DG OP1 O -3.107 8.968 3.343 1.00 . B B . 23 DG OP1 1 1 16 7681 2 2 4 DG OP2 O -1.446 9.680 5.110 1.00 . B B . 23 DG OP2 1 1 16 7682 2 2 4 DG P P -1.924 8.644 4.169 1.00 . B B . 23 DG P 1 1 16 7683 2 2 5 DC C1' C -6.370 4.480 1.031 1.00 . B B . 24 DC C1' 1 1 16 7684 2 2 5 DC C2 C -7.645 2.594 0.060 1.00 . B B . 24 DC C2 1 1 16 7685 2 2 5 DC C2' C -7.333 5.603 0.703 1.00 . B B . 24 DC C2' 1 1 16 7686 2 2 5 DC C3' C -7.787 6.045 2.067 1.00 . B B . 24 DC C3' 1 1 16 7687 2 2 5 DC C4 C -8.457 0.850 1.291 1.00 . B B . 24 DC C4 1 1 16 7688 2 2 5 DC C4' C -6.438 6.024 2.802 1.00 . B B . 24 DC C4' 1 1 16 7689 2 2 5 DC C5 C -8.025 1.443 2.507 1.00 . B B . 24 DC C5 1 1 16 7690 2 2 5 DC C5' C -6.510 5.862 4.336 1.00 . B B . 24 DC C5' 1 1 16 7691 2 2 5 DC C6 C -7.354 2.621 2.433 1.00 . B B . 24 DC C6 1 1 16 7692 2 2 5 DC H1' H -5.674 4.327 0.204 1.00 . B B . 24 DC H1' 1 1 16 7693 2 2 5 DC H2' H -8.143 5.282 0.055 1.00 . B B . 24 DC H2' 1 1 16 7694 2 2 5 DC H2'' H -6.800 6.421 0.274 1.00 . B B . 24 DC H2'' 1 1 16 7695 2 2 5 DC H3' H -8.443 5.279 2.450 1.00 . B B . 24 DC H3' 1 1 16 7696 2 2 5 DC H4' H -5.935 6.968 2.585 1.00 . B B . 24 DC H4' 1 1 16 7697 2 2 5 DC H41 H -9.305 -0.669 0.371 1.00 . B B . 24 DC H41 1 1 16 7698 2 2 5 DC H42 H -9.100 -0.853 2.112 1.00 . B B . 24 DC H42 1 1 16 7699 2 2 5 DC H5 H -8.194 0.971 3.458 1.00 . B B . 24 DC H5 1 1 16 7700 2 2 5 DC H5' H -6.006 6.710 4.793 1.00 . B B . 24 DC H5' 1 1 16 7701 2 2 5 DC H5'' H -7.542 5.906 4.670 1.00 . B B . 24 DC H5'' 1 1 16 7702 2 2 5 DC H6 H -6.981 3.096 3.331 1.00 . B B . 24 DC H6 1 1 16 7703 2 2 5 DC N1 N -7.129 3.202 1.212 1.00 . B B . 24 DC N1 1 1 16 7704 2 2 5 DC N3 N -8.308 1.413 0.115 1.00 . B B . 24 DC N3 1 1 16 7705 2 2 5 DC N4 N -9.076 -0.289 1.271 1.00 . B B . 24 DC N4 1 1 16 7706 2 2 5 DC O2 O -7.518 3.112 -1.045 1.00 . B B . 24 DC O2 1 1 16 7707 2 2 5 DC O3' O -8.444 7.305 1.991 1.00 . B B . 24 DC O3' 1 1 16 7708 2 2 5 DC O4' O -5.690 4.972 2.178 1.00 . B B . 24 DC O4' 1 1 16 7709 2 2 5 DC O5' O -5.889 4.645 4.747 1.00 . B B . 24 DC O5' 1 1 16 7710 2 2 5 DC OP1 O -5.338 5.469 7.077 1.00 . B B . 24 DC OP1 1 1 16 7711 2 2 5 DC OP2 O -6.614 3.299 6.677 1.00 . B B . 24 DC OP2 1 1 16 7712 2 2 5 DC P P -5.555 4.248 6.263 1.00 . B B . 24 DC P 1 1 16 7713 2 2 6 DC C1' C -11.974 3.842 5.563 1.00 . B B . 25 DC C1' 1 1 16 7714 2 2 6 DC C2 C -13.401 1.879 6.120 1.00 . B B . 25 DC C2 1 1 16 7715 2 2 6 DC C2' C -10.704 3.339 4.882 1.00 . B B . 25 DC C2' 1 1 16 7716 2 2 6 DC C3' C -9.810 4.577 4.961 1.00 . B B . 25 DC C3' 1 1 16 7717 2 2 6 DC C4 C -15.345 1.437 4.992 1.00 . B B . 25 DC C4 1 1 16 7718 2 2 6 DC C4' C -10.826 5.729 5.080 1.00 . B B . 25 DC C4' 1 1 16 7719 2 2 6 DC C5 C -15.176 2.550 4.128 1.00 . B B . 25 DC C5 1 1 16 7720 2 2 6 DC C5' C -10.679 6.865 4.056 1.00 . B B . 25 DC C5' 1 1 16 7721 2 2 6 DC C6 C -14.068 3.310 4.310 1.00 . B B . 25 DC C6 1 1 16 7722 2 2 6 DC H1' H -11.805 3.896 6.643 1.00 . B B . 25 DC H1' 1 1 16 7723 2 2 6 DC H2' H -10.904 3.088 3.841 1.00 . B B . 25 DC H2' 1 1 16 7724 2 2 6 DC H2'' H -10.276 2.485 5.410 1.00 . B B . 25 DC H2'' 1 1 16 7725 2 2 6 DC H3' H -9.184 4.681 4.065 1.00 . B B . 25 DC H3' 1 1 16 7726 2 2 6 DC H4' H -10.710 6.174 6.070 1.00 . B B . 25 DC H4' 1 1 16 7727 2 2 6 DC H41 H -16.455 -0.096 5.529 1.00 . B B . 25 DC H41 1 1 16 7728 2 2 6 DC H42 H -17.126 0.916 4.240 1.00 . B B . 25 DC H42 1 1 16 7729 2 2 6 DC H5 H -15.890 2.802 3.360 1.00 . B B . 25 DC H5 1 1 16 7730 2 2 6 DC H5' H -11.496 7.571 4.194 1.00 . B B . 25 DC H5' 1 1 16 7731 2 2 6 DC H5'' H -9.749 7.385 4.290 1.00 . B B . 25 DC H5'' 1 1 16 7732 2 2 6 DC H6 H -13.895 4.184 3.693 1.00 . B B . 25 DC H6 1 1 16 7733 2 2 6 DC HO3' H -8.329 3.829 6.083 1.00 . B B . 25 DC HO3' 1 1 16 7734 2 2 6 DC N1 N -13.168 2.991 5.298 1.00 . B B . 25 DC N1 1 1 16 7735 2 2 6 DC N3 N -14.496 1.102 5.944 1.00 . B B . 25 DC N3 1 1 16 7736 2 2 6 DC N4 N -16.397 0.685 4.894 1.00 . B B . 25 DC N4 1 1 16 7737 2 2 6 DC O2 O -12.633 1.563 7.035 1.00 . B B . 25 DC O2 1 1 16 7738 2 2 6 DC O3' O -9.032 4.509 6.151 1.00 . B B . 25 DC O3' 1 1 16 7739 2 2 6 DC O4' O -12.114 5.148 5.036 1.00 . B B . 25 DC O4' 1 1 16 7740 2 2 6 DC O5' O -10.646 6.440 2.694 1.00 . B B . 25 DC O5' 1 1 16 7741 2 2 6 DC OP1 O -10.175 6.750 0.236 1.00 . B B . 25 DC OP1 1 1 16 7742 2 2 6 DC OP2 O -10.423 8.770 1.772 1.00 . B B . 25 DC OP2 1 1 16 7743 2 2 6 DC P P -9.991 7.375 1.566 1.00 . B B . 25 DC P 1 1 16 7744 3 3 1 ZN ZN ZN 0.029 -4.066 -0.437 1.00 . C A . 26 ZN ZN 1 1 17 7745 1 1 1 LYS C C -4.520 -11.459 4.541 1.00 . A A . 1 LYS C 1 1 17 7746 1 1 1 LYS CA C -5.823 -11.573 5.332 1.00 . A A . 1 LYS CA 1 1 17 7747 1 1 1 LYS CB C -5.814 -12.871 6.170 1.00 . A A . 1 LYS CB 1 1 17 7748 1 1 1 LYS CD C -7.052 -14.256 7.959 1.00 . A A . 1 LYS CD 1 1 17 7749 1 1 1 LYS CE C -6.520 -15.630 7.534 1.00 . A A . 1 LYS CE 1 1 17 7750 1 1 1 LYS CG C -7.155 -13.208 6.841 1.00 . A A . 1 LYS CG 1 1 17 7751 1 1 1 LYS H1 H -6.927 -12.133 3.655 1.00 . A A . 1 LYS H1 1 1 17 7752 1 1 1 LYS H2 H -7.059 -10.536 4.042 1.00 . A A . 1 LYS H2 1 1 17 7753 1 1 1 LYS H3 H -7.852 -11.644 4.919 1.00 . A A . 1 LYS H3 1 1 17 7754 1 1 1 LYS HA H -5.862 -10.729 6.025 1.00 . A A . 1 LYS HA 1 1 17 7755 1 1 1 LYS HB2 H -5.537 -13.700 5.524 1.00 . A A . 1 LYS HB2 1 1 17 7756 1 1 1 LYS HB3 H -5.046 -12.766 6.938 1.00 . A A . 1 LYS HB3 1 1 17 7757 1 1 1 LYS HD2 H -6.403 -13.863 8.742 1.00 . A A . 1 LYS HD2 1 1 17 7758 1 1 1 LYS HD3 H -8.043 -14.385 8.397 1.00 . A A . 1 LYS HD3 1 1 17 7759 1 1 1 LYS HE2 H -5.503 -15.533 7.144 1.00 . A A . 1 LYS HE2 1 1 17 7760 1 1 1 LYS HE3 H -6.469 -16.258 8.427 1.00 . A A . 1 LYS HE3 1 1 17 7761 1 1 1 LYS HG2 H -7.568 -12.304 7.281 1.00 . A A . 1 LYS HG2 1 1 17 7762 1 1 1 LYS HG3 H -7.853 -13.565 6.082 1.00 . A A . 1 LYS HG3 1 1 17 7763 1 1 1 LYS HZ1 H -7.272 -17.296 6.576 1.00 . A A . 1 LYS HZ1 1 1 17 7764 1 1 1 LYS HZ2 H -7.189 -15.987 5.586 1.00 . A A . 1 LYS HZ2 1 1 17 7765 1 1 1 LYS HZ3 H -8.376 -16.113 6.727 1.00 . A A . 1 LYS HZ3 1 1 17 7766 1 1 1 LYS N N -6.986 -11.471 4.423 1.00 . A A . 1 LYS N 1 1 17 7767 1 1 1 LYS NZ N -7.393 -16.288 6.535 1.00 . A A . 1 LYS NZ 1 1 17 7768 1 1 1 LYS O O -4.372 -12.121 3.513 1.00 . A A . 1 LYS O 1 1 17 7769 1 1 2 GLY C C -1.906 -8.922 4.397 1.00 . A A . 2 GLY C 1 1 17 7770 1 1 2 GLY CA C -2.274 -10.406 4.339 1.00 . A A . 2 GLY CA 1 1 17 7771 1 1 2 GLY H H -3.744 -10.124 5.857 1.00 . A A . 2 GLY H 1 1 17 7772 1 1 2 GLY HA2 H -1.474 -10.982 4.802 1.00 . A A . 2 GLY HA2 1 1 17 7773 1 1 2 GLY HA3 H -2.338 -10.712 3.293 1.00 . A A . 2 GLY HA3 1 1 17 7774 1 1 2 GLY N N -3.555 -10.665 5.016 1.00 . A A . 2 GLY N 1 1 17 7775 1 1 2 GLY O O -1.660 -8.373 5.480 1.00 . A A . 2 GLY O 1 1 17 7776 1 1 3 CYS C C -3.136 -6.140 3.515 1.00 . A A . 3 CYS C 1 1 17 7777 1 1 3 CYS CA C -1.854 -6.832 3.048 1.00 . A A . 3 CYS CA 1 1 17 7778 1 1 3 CYS CB C -1.599 -6.519 1.563 1.00 . A A . 3 CYS CB 1 1 17 7779 1 1 3 CYS H H -1.976 -8.844 2.397 1.00 . A A . 3 CYS H 1 1 17 7780 1 1 3 CYS HA H -1.024 -6.448 3.635 1.00 . A A . 3 CYS HA 1 1 17 7781 1 1 3 CYS HB2 H -0.988 -7.311 1.140 1.00 . A A . 3 CYS HB2 1 1 17 7782 1 1 3 CYS HB3 H -2.562 -6.547 1.061 1.00 . A A . 3 CYS HB3 1 1 17 7783 1 1 3 CYS N N -1.922 -8.276 3.231 1.00 . A A . 3 CYS N 1 1 17 7784 1 1 3 CYS O O -4.186 -6.745 3.748 1.00 . A A . 3 CYS O 1 1 17 7785 1 1 3 CYS SG S -0.838 -4.871 1.327 1.00 . A A . 3 CYS SG 1 1 17 7786 1 1 4 TRP C C -4.867 -3.632 2.390 1.00 . A A . 4 TRP C 1 1 17 7787 1 1 4 TRP CA C -4.106 -3.865 3.704 1.00 . A A . 4 TRP CA 1 1 17 7788 1 1 4 TRP CB C -3.417 -2.614 4.242 1.00 . A A . 4 TRP CB 1 1 17 7789 1 1 4 TRP CD1 C -5.276 -0.876 4.176 1.00 . A A . 4 TRP CD1 1 1 17 7790 1 1 4 TRP CD2 C -3.307 -0.192 3.353 1.00 . A A . 4 TRP CD2 1 1 17 7791 1 1 4 TRP CE2 C -4.197 0.901 3.231 1.00 . A A . 4 TRP CE2 1 1 17 7792 1 1 4 TRP CE3 C -1.980 -0.014 2.925 1.00 . A A . 4 TRP CE3 1 1 17 7793 1 1 4 TRP CG C -4.016 -1.300 3.941 1.00 . A A . 4 TRP CG 1 1 17 7794 1 1 4 TRP CH2 C -2.461 2.271 2.248 1.00 . A A . 4 TRP CH2 1 1 17 7795 1 1 4 TRP CZ2 C -3.781 2.116 2.691 1.00 . A A . 4 TRP CZ2 1 1 17 7796 1 1 4 TRP CZ3 C -1.564 1.199 2.373 1.00 . A A . 4 TRP CZ3 1 1 17 7797 1 1 4 TRP H H -2.134 -4.483 3.214 1.00 . A A . 4 TRP H 1 1 17 7798 1 1 4 TRP HA H -4.829 -4.217 4.439 1.00 . A A . 4 TRP HA 1 1 17 7799 1 1 4 TRP HB2 H -3.285 -2.675 5.311 1.00 . A A . 4 TRP HB2 1 1 17 7800 1 1 4 TRP HB3 H -2.407 -2.582 3.835 1.00 . A A . 4 TRP HB3 1 1 17 7801 1 1 4 TRP HD1 H -6.066 -1.469 4.624 1.00 . A A . 4 TRP HD1 1 1 17 7802 1 1 4 TRP HE1 H -6.246 0.964 3.800 1.00 . A A . 4 TRP HE1 1 1 17 7803 1 1 4 TRP HE3 H -1.272 -0.823 3.010 1.00 . A A . 4 TRP HE3 1 1 17 7804 1 1 4 TRP HH2 H -2.137 3.218 1.838 1.00 . A A . 4 TRP HH2 1 1 17 7805 1 1 4 TRP HZ2 H -4.483 2.913 2.607 1.00 . A A . 4 TRP HZ2 1 1 17 7806 1 1 4 TRP HZ3 H -0.549 1.284 2.064 1.00 . A A . 4 TRP HZ3 1 1 17 7807 1 1 4 TRP N N -3.035 -4.827 3.523 1.00 . A A . 4 TRP N 1 1 17 7808 1 1 4 TRP NE1 N -5.386 0.432 3.750 1.00 . A A . 4 TRP NE1 1 1 17 7809 1 1 4 TRP O O -6.065 -3.912 2.318 1.00 . A A . 4 TRP O 1 1 17 7810 1 1 5 LYS C C -4.486 -3.862 -1.077 1.00 . A A . 5 LYS C 1 1 17 7811 1 1 5 LYS CA C -4.768 -2.845 0.029 1.00 . A A . 5 LYS CA 1 1 17 7812 1 1 5 LYS CB C -4.425 -1.387 -0.352 1.00 . A A . 5 LYS CB 1 1 17 7813 1 1 5 LYS CD C -2.867 -1.358 -2.458 1.00 . A A . 5 LYS CD 1 1 17 7814 1 1 5 LYS CE C -3.822 -0.484 -3.280 1.00 . A A . 5 LYS CE 1 1 17 7815 1 1 5 LYS CG C -3.021 -1.136 -0.939 1.00 . A A . 5 LYS CG 1 1 17 7816 1 1 5 LYS H H -3.198 -2.953 1.490 1.00 . A A . 5 LYS H 1 1 17 7817 1 1 5 LYS HA H -5.851 -2.861 0.143 1.00 . A A . 5 LYS HA 1 1 17 7818 1 1 5 LYS HB2 H -5.182 -1.023 -1.047 1.00 . A A . 5 LYS HB2 1 1 17 7819 1 1 5 LYS HB3 H -4.526 -0.775 0.547 1.00 . A A . 5 LYS HB3 1 1 17 7820 1 1 5 LYS HD2 H -1.835 -1.166 -2.744 1.00 . A A . 5 LYS HD2 1 1 17 7821 1 1 5 LYS HD3 H -3.068 -2.400 -2.694 1.00 . A A . 5 LYS HD3 1 1 17 7822 1 1 5 LYS HE2 H -4.533 -1.132 -3.792 1.00 . A A . 5 LYS HE2 1 1 17 7823 1 1 5 LYS HE3 H -4.384 0.145 -2.593 1.00 . A A . 5 LYS HE3 1 1 17 7824 1 1 5 LYS HG2 H -2.742 -0.104 -0.725 1.00 . A A . 5 LYS HG2 1 1 17 7825 1 1 5 LYS HG3 H -2.317 -1.779 -0.421 1.00 . A A . 5 LYS HG3 1 1 17 7826 1 1 5 LYS HZ1 H -3.839 0.844 -4.854 1.00 . A A . 5 LYS HZ1 1 1 17 7827 1 1 5 LYS HZ2 H -2.513 -0.140 -4.877 1.00 . A A . 5 LYS HZ2 1 1 17 7828 1 1 5 LYS HZ3 H -2.620 1.115 -3.808 1.00 . A A . 5 LYS HZ3 1 1 17 7829 1 1 5 LYS N N -4.169 -3.183 1.335 1.00 . A A . 5 LYS N 1 1 17 7830 1 1 5 LYS NZ N -3.146 0.381 -4.271 1.00 . A A . 5 LYS NZ 1 1 17 7831 1 1 5 LYS O O -5.320 -4.010 -1.974 1.00 . A A . 5 LYS O 1 1 17 7832 1 1 6 CYS C C -3.697 -6.683 -2.300 1.00 . A A . 6 CYS C 1 1 17 7833 1 1 6 CYS CA C -2.877 -5.389 -2.148 1.00 . A A . 6 CYS CA 1 1 17 7834 1 1 6 CYS CB C -1.385 -5.710 -1.961 1.00 . A A . 6 CYS CB 1 1 17 7835 1 1 6 CYS H H -2.702 -4.398 -0.273 1.00 . A A . 6 CYS H 1 1 17 7836 1 1 6 CYS HA H -2.997 -4.815 -3.068 1.00 . A A . 6 CYS HA 1 1 17 7837 1 1 6 CYS HB2 H -1.259 -6.392 -1.119 1.00 . A A . 6 CYS HB2 1 1 17 7838 1 1 6 CYS HB3 H -1.054 -6.220 -2.866 1.00 . A A . 6 CYS HB3 1 1 17 7839 1 1 6 CYS N N -3.345 -4.562 -1.033 1.00 . A A . 6 CYS N 1 1 17 7840 1 1 6 CYS O O -4.114 -7.050 -3.397 1.00 . A A . 6 CYS O 1 1 17 7841 1 1 6 CYS SG S -0.370 -4.228 -1.721 1.00 . A A . 6 CYS SG 1 1 17 7842 1 1 7 GLY C C -4.038 -9.862 -0.852 1.00 . A A . 7 GLY C 1 1 17 7843 1 1 7 GLY CA C -4.778 -8.531 -1.006 1.00 . A A . 7 GLY CA 1 1 17 7844 1 1 7 GLY H H -3.483 -6.979 -0.357 1.00 . A A . 7 GLY H 1 1 17 7845 1 1 7 GLY HA2 H -5.318 -8.370 -0.084 1.00 . A A . 7 GLY HA2 1 1 17 7846 1 1 7 GLY HA3 H -5.484 -8.611 -1.831 1.00 . A A . 7 GLY HA3 1 1 17 7847 1 1 7 GLY N N -3.920 -7.356 -1.176 1.00 . A A . 7 GLY N 1 1 17 7848 1 1 7 GLY O O -4.633 -10.922 -1.037 1.00 . A A . 7 GLY O 1 1 17 7849 1 1 8 LYS C C -0.959 -10.938 0.713 1.00 . A A . 8 LYS C 1 1 17 7850 1 1 8 LYS CA C -1.762 -10.897 -0.587 1.00 . A A . 8 LYS CA 1 1 17 7851 1 1 8 LYS CB C -0.791 -10.638 -1.755 1.00 . A A . 8 LYS CB 1 1 17 7852 1 1 8 LYS CD C -0.443 -9.861 -4.173 1.00 . A A . 8 LYS CD 1 1 17 7853 1 1 8 LYS CE C 0.048 -8.404 -4.206 1.00 . A A . 8 LYS CE 1 1 17 7854 1 1 8 LYS CG C -1.459 -10.205 -3.078 1.00 . A A . 8 LYS CG 1 1 17 7855 1 1 8 LYS H H -2.373 -8.890 -0.316 1.00 . A A . 8 LYS H 1 1 17 7856 1 1 8 LYS HA H -2.266 -11.857 -0.724 1.00 . A A . 8 LYS HA 1 1 17 7857 1 1 8 LYS HB2 H -0.094 -9.860 -1.448 1.00 . A A . 8 LYS HB2 1 1 17 7858 1 1 8 LYS HB3 H -0.210 -11.546 -1.933 1.00 . A A . 8 LYS HB3 1 1 17 7859 1 1 8 LYS HD2 H 0.410 -10.538 -4.113 1.00 . A A . 8 LYS HD2 1 1 17 7860 1 1 8 LYS HD3 H -0.942 -10.026 -5.121 1.00 . A A . 8 LYS HD3 1 1 17 7861 1 1 8 LYS HE2 H 0.657 -8.284 -5.108 1.00 . A A . 8 LYS HE2 1 1 17 7862 1 1 8 LYS HE3 H -0.811 -7.741 -4.311 1.00 . A A . 8 LYS HE3 1 1 17 7863 1 1 8 LYS HG2 H -2.083 -11.029 -3.429 1.00 . A A . 8 LYS HG2 1 1 17 7864 1 1 8 LYS HG3 H -2.094 -9.333 -2.935 1.00 . A A . 8 LYS HG3 1 1 17 7865 1 1 8 LYS HZ1 H 1.330 -7.126 -3.210 1.00 . A A . 8 LYS HZ1 1 1 17 7866 1 1 8 LYS HZ2 H 1.594 -8.691 -2.857 1.00 . A A . 8 LYS HZ2 1 1 17 7867 1 1 8 LYS HZ3 H 0.320 -7.917 -2.174 1.00 . A A . 8 LYS HZ3 1 1 17 7868 1 1 8 LYS N N -2.743 -9.801 -0.531 1.00 . A A . 8 LYS N 1 1 17 7869 1 1 8 LYS NZ N 0.857 -8.010 -3.029 1.00 . A A . 8 LYS NZ 1 1 17 7870 1 1 8 LYS O O -0.761 -9.881 1.304 1.00 . A A . 8 LYS O 1 1 17 7871 1 1 9 GLU C C 1.974 -11.682 1.828 1.00 . A A . 9 GLU C 1 1 17 7872 1 1 9 GLU CA C 0.560 -12.158 2.239 1.00 . A A . 9 GLU CA 1 1 17 7873 1 1 9 GLU CB C 0.575 -13.566 2.854 1.00 . A A . 9 GLU CB 1 1 17 7874 1 1 9 GLU CD C -0.606 -15.298 4.248 1.00 . A A . 9 GLU CD 1 1 17 7875 1 1 9 GLU CG C -0.705 -13.899 3.630 1.00 . A A . 9 GLU CG 1 1 17 7876 1 1 9 GLU H H -0.548 -12.913 0.578 1.00 . A A . 9 GLU H 1 1 17 7877 1 1 9 GLU HA H 0.237 -11.471 3.021 1.00 . A A . 9 GLU HA 1 1 17 7878 1 1 9 GLU HB2 H 0.739 -14.309 2.077 1.00 . A A . 9 GLU HB2 1 1 17 7879 1 1 9 GLU HB3 H 1.404 -13.619 3.560 1.00 . A A . 9 GLU HB3 1 1 17 7880 1 1 9 GLU HG2 H -0.841 -13.166 4.423 1.00 . A A . 9 GLU HG2 1 1 17 7881 1 1 9 GLU HG3 H -1.568 -13.841 2.966 1.00 . A A . 9 GLU HG3 1 1 17 7882 1 1 9 GLU N N -0.408 -12.075 1.128 1.00 . A A . 9 GLU N 1 1 17 7883 1 1 9 GLU O O 2.971 -12.386 2.010 1.00 . A A . 9 GLU O 1 1 17 7884 1 1 9 GLU OE1 O 0.370 -15.571 4.990 1.00 . A A . 9 GLU OE1 1 1 17 7885 1 1 9 GLU OE2 O -1.502 -16.147 4.024 1.00 . A A . 9 GLU OE2 1 1 17 7886 1 1 10 GLY C C 3.963 -8.997 1.842 1.00 . A A . 10 GLY C 1 1 17 7887 1 1 10 GLY CA C 3.310 -9.882 0.782 1.00 . A A . 10 GLY CA 1 1 17 7888 1 1 10 GLY H H 1.207 -9.951 1.143 1.00 . A A . 10 GLY H 1 1 17 7889 1 1 10 GLY HA2 H 4.015 -10.651 0.475 1.00 . A A . 10 GLY HA2 1 1 17 7890 1 1 10 GLY HA3 H 3.100 -9.253 -0.080 1.00 . A A . 10 GLY HA3 1 1 17 7891 1 1 10 GLY N N 2.058 -10.495 1.223 1.00 . A A . 10 GLY N 1 1 17 7892 1 1 10 GLY O O 5.186 -8.985 1.969 1.00 . A A . 10 GLY O 1 1 17 7893 1 1 11 HIS C C 2.373 -6.641 4.298 1.00 . A A . 11 HIS C 1 1 17 7894 1 1 11 HIS CA C 3.590 -7.235 3.558 1.00 . A A . 11 HIS CA 1 1 17 7895 1 1 11 HIS CB C 4.353 -6.105 2.839 1.00 . A A . 11 HIS CB 1 1 17 7896 1 1 11 HIS CD2 C 2.458 -4.833 1.721 1.00 . A A . 11 HIS CD2 1 1 17 7897 1 1 11 HIS CE1 C 3.089 -4.836 -0.367 1.00 . A A . 11 HIS CE1 1 1 17 7898 1 1 11 HIS CG C 3.628 -5.524 1.650 1.00 . A A . 11 HIS CG 1 1 17 7899 1 1 11 HIS H H 2.155 -8.361 2.500 1.00 . A A . 11 HIS H 1 1 17 7900 1 1 11 HIS HA H 4.241 -7.711 4.290 1.00 . A A . 11 HIS HA 1 1 17 7901 1 1 11 HIS HB2 H 4.504 -5.311 3.562 1.00 . A A . 11 HIS HB2 1 1 17 7902 1 1 11 HIS HB3 H 5.332 -6.460 2.522 1.00 . A A . 11 HIS HB3 1 1 17 7903 1 1 11 HIS HD1 H 4.931 -5.795 -0.035 1.00 . A A . 11 HIS HD1 1 1 17 7904 1 1 11 HIS HD2 H 1.994 -4.530 2.653 1.00 . A A . 11 HIS HD2 1 1 17 7905 1 1 11 HIS HE1 H 3.167 -4.569 -1.408 1.00 . A A . 11 HIS HE1 1 1 17 7906 1 1 11 HIS N N 3.157 -8.229 2.575 1.00 . A A . 11 HIS N 1 1 17 7907 1 1 11 HIS ND1 N 4.019 -5.516 0.328 1.00 . A A . 11 HIS ND1 1 1 17 7908 1 1 11 HIS NE2 N 2.065 -4.464 0.421 1.00 . A A . 11 HIS NE2 1 1 17 7909 1 1 11 HIS O O 1.239 -6.916 3.926 1.00 . A A . 11 HIS O 1 1 17 7910 1 1 12 GLN C C 1.766 -3.438 5.535 1.00 . A A . 12 GLN C 1 1 17 7911 1 1 12 GLN CA C 1.587 -4.907 5.925 1.00 . A A . 12 GLN CA 1 1 17 7912 1 1 12 GLN CB C 1.664 -5.175 7.438 1.00 . A A . 12 GLN CB 1 1 17 7913 1 1 12 GLN CD C -0.017 -5.679 9.283 1.00 . A A . 12 GLN CD 1 1 17 7914 1 1 12 GLN CG C 0.469 -4.654 8.259 1.00 . A A . 12 GLN CG 1 1 17 7915 1 1 12 GLN H H 3.576 -5.544 5.483 1.00 . A A . 12 GLN H 1 1 17 7916 1 1 12 GLN HA H 0.585 -5.139 5.569 1.00 . A A . 12 GLN HA 1 1 17 7917 1 1 12 GLN HB2 H 1.717 -6.251 7.584 1.00 . A A . 12 GLN HB2 1 1 17 7918 1 1 12 GLN HB3 H 2.599 -4.754 7.812 1.00 . A A . 12 GLN HB3 1 1 17 7919 1 1 12 GLN HE21 H 1.522 -5.280 10.524 1.00 . A A . 12 GLN HE21 1 1 17 7920 1 1 12 GLN HE22 H 0.349 -6.472 11.085 1.00 . A A . 12 GLN HE22 1 1 17 7921 1 1 12 GLN HG2 H 0.756 -3.739 8.777 1.00 . A A . 12 GLN HG2 1 1 17 7922 1 1 12 GLN HG3 H -0.368 -4.423 7.600 1.00 . A A . 12 GLN HG3 1 1 17 7923 1 1 12 GLN N N 2.602 -5.751 5.268 1.00 . A A . 12 GLN N 1 1 17 7924 1 1 12 GLN NE2 N 0.679 -5.834 10.383 1.00 . A A . 12 GLN NE2 1 1 17 7925 1 1 12 GLN O O 2.651 -3.105 4.751 1.00 . A A . 12 GLN O 1 1 17 7926 1 1 12 GLN OE1 O -1.023 -6.356 9.088 1.00 . A A . 12 GLN OE1 1 1 17 7927 1 1 13 MET C C 2.170 -0.440 5.611 1.00 . A A . 13 MET C 1 1 17 7928 1 1 13 MET CA C 0.814 -1.147 5.603 1.00 . A A . 13 MET CA 1 1 17 7929 1 1 13 MET CB C -0.189 -0.376 6.478 1.00 . A A . 13 MET CB 1 1 17 7930 1 1 13 MET CE C -3.332 0.648 7.953 1.00 . A A . 13 MET CE 1 1 17 7931 1 1 13 MET CG C -1.563 -1.026 6.578 1.00 . A A . 13 MET CG 1 1 17 7932 1 1 13 MET H H 0.232 -2.868 6.716 1.00 . A A . 13 MET H 1 1 17 7933 1 1 13 MET HA H 0.448 -1.122 4.581 1.00 . A A . 13 MET HA 1 1 17 7934 1 1 13 MET HB2 H 0.229 -0.255 7.474 1.00 . A A . 13 MET HB2 1 1 17 7935 1 1 13 MET HB3 H -0.348 0.599 6.038 1.00 . A A . 13 MET HB3 1 1 17 7936 1 1 13 MET HE1 H -3.922 0.843 8.847 1.00 . A A . 13 MET HE1 1 1 17 7937 1 1 13 MET HE2 H -2.655 1.483 7.786 1.00 . A A . 13 MET HE2 1 1 17 7938 1 1 13 MET HE3 H -4.004 0.547 7.102 1.00 . A A . 13 MET HE3 1 1 17 7939 1 1 13 MET HG2 H -2.191 -0.648 5.786 1.00 . A A . 13 MET HG2 1 1 17 7940 1 1 13 MET HG3 H -1.469 -2.071 6.358 1.00 . A A . 13 MET HG3 1 1 17 7941 1 1 13 MET N N 0.917 -2.543 6.048 1.00 . A A . 13 MET N 1 1 17 7942 1 1 13 MET O O 2.445 0.325 4.693 1.00 . A A . 13 MET O 1 1 17 7943 1 1 13 MET SD S -2.391 -0.882 8.182 1.00 . A A . 13 MET SD 1 1 17 7944 1 1 14 LYS C C 5.372 -0.604 5.652 1.00 . A A . 14 LYS C 1 1 17 7945 1 1 14 LYS CA C 4.387 -0.233 6.768 1.00 . A A . 14 LYS CA 1 1 17 7946 1 1 14 LYS CB C 4.934 -0.739 8.118 1.00 . A A . 14 LYS CB 1 1 17 7947 1 1 14 LYS CD C 4.405 1.326 9.584 1.00 . A A . 14 LYS CD 1 1 17 7948 1 1 14 LYS CE C 3.234 2.047 10.265 1.00 . A A . 14 LYS CE 1 1 17 7949 1 1 14 LYS CG C 4.179 -0.177 9.335 1.00 . A A . 14 LYS CG 1 1 17 7950 1 1 14 LYS H H 2.690 -1.407 7.291 1.00 . A A . 14 LYS H 1 1 17 7951 1 1 14 LYS HA H 4.342 0.854 6.765 1.00 . A A . 14 LYS HA 1 1 17 7952 1 1 14 LYS HB2 H 4.859 -1.829 8.139 1.00 . A A . 14 LYS HB2 1 1 17 7953 1 1 14 LYS HB3 H 5.993 -0.499 8.189 1.00 . A A . 14 LYS HB3 1 1 17 7954 1 1 14 LYS HD2 H 5.265 1.412 10.243 1.00 . A A . 14 LYS HD2 1 1 17 7955 1 1 14 LYS HD3 H 4.646 1.846 8.657 1.00 . A A . 14 LYS HD3 1 1 17 7956 1 1 14 LYS HE2 H 2.955 1.507 11.175 1.00 . A A . 14 LYS HE2 1 1 17 7957 1 1 14 LYS HE3 H 3.572 3.045 10.559 1.00 . A A . 14 LYS HE3 1 1 17 7958 1 1 14 LYS HG2 H 3.120 -0.379 9.205 1.00 . A A . 14 LYS HG2 1 1 17 7959 1 1 14 LYS HG3 H 4.502 -0.719 10.224 1.00 . A A . 14 LYS HG3 1 1 17 7960 1 1 14 LYS HZ1 H 1.580 1.291 9.274 1.00 . A A . 14 LYS HZ1 1 1 17 7961 1 1 14 LYS HZ2 H 2.293 2.590 8.483 1.00 . A A . 14 LYS HZ2 1 1 17 7962 1 1 14 LYS HZ3 H 1.356 2.806 9.799 1.00 . A A . 14 LYS HZ3 1 1 17 7963 1 1 14 LYS N N 3.020 -0.750 6.597 1.00 . A A . 14 LYS N 1 1 17 7964 1 1 14 LYS NZ N 2.051 2.187 9.383 1.00 . A A . 14 LYS NZ 1 1 17 7965 1 1 14 LYS O O 6.417 0.035 5.554 1.00 . A A . 14 LYS O 1 1 17 7966 1 1 15 ASP C C 5.008 -1.936 2.342 1.00 . A A . 15 ASP C 1 1 17 7967 1 1 15 ASP CA C 5.825 -2.016 3.645 1.00 . A A . 15 ASP CA 1 1 17 7968 1 1 15 ASP CB C 6.344 -3.436 3.880 1.00 . A A . 15 ASP CB 1 1 17 7969 1 1 15 ASP CG C 7.817 -3.458 4.280 1.00 . A A . 15 ASP CG 1 1 17 7970 1 1 15 ASP H H 4.210 -2.138 5.023 1.00 . A A . 15 ASP H 1 1 17 7971 1 1 15 ASP HA H 6.680 -1.356 3.505 1.00 . A A . 15 ASP HA 1 1 17 7972 1 1 15 ASP HB2 H 5.718 -3.905 4.644 1.00 . A A . 15 ASP HB2 1 1 17 7973 1 1 15 ASP HB3 H 6.242 -4.013 2.964 1.00 . A A . 15 ASP HB3 1 1 17 7974 1 1 15 ASP N N 5.057 -1.605 4.832 1.00 . A A . 15 ASP N 1 1 17 7975 1 1 15 ASP O O 5.521 -2.196 1.252 1.00 . A A . 15 ASP O 1 1 17 7976 1 1 15 ASP OD1 O 8.162 -2.889 5.346 1.00 . A A . 15 ASP OD1 1 1 17 7977 1 1 15 ASP OD2 O 8.645 -4.003 3.510 1.00 . A A . 15 ASP OD2 1 1 17 7978 1 1 16 CYS C C 2.875 0.179 1.003 1.00 . A A . 16 CYS C 1 1 17 7979 1 1 16 CYS CA C 2.813 -1.312 1.378 1.00 . A A . 16 CYS CA 1 1 17 7980 1 1 16 CYS CB C 1.431 -1.795 1.841 1.00 . A A . 16 CYS CB 1 1 17 7981 1 1 16 CYS H H 3.396 -1.398 3.402 1.00 . A A . 16 CYS H 1 1 17 7982 1 1 16 CYS HA H 3.109 -1.908 0.518 1.00 . A A . 16 CYS HA 1 1 17 7983 1 1 16 CYS HB2 H 1.514 -2.732 2.351 1.00 . A A . 16 CYS HB2 1 1 17 7984 1 1 16 CYS HB3 H 1.062 -1.175 2.621 1.00 . A A . 16 CYS HB3 1 1 17 7985 1 1 16 CYS N N 3.734 -1.567 2.466 1.00 . A A . 16 CYS N 1 1 17 7986 1 1 16 CYS O O 3.486 0.565 0.015 1.00 . A A . 16 CYS O 1 1 17 7987 1 1 16 CYS SG S 0.259 -1.900 0.486 1.00 . A A . 16 CYS SG 1 1 17 7988 1 1 17 THR C C 1.215 2.746 0.345 1.00 . A A . 17 THR C 1 1 17 7989 1 1 17 THR CA C 1.954 2.439 1.649 1.00 . A A . 17 THR CA 1 1 17 7990 1 1 17 THR CB C 3.105 3.429 1.967 1.00 . A A . 17 THR CB 1 1 17 7991 1 1 17 THR CG2 C 4.093 2.871 2.970 1.00 . A A . 17 THR CG2 1 1 17 7992 1 1 17 THR H H 1.972 0.598 2.722 1.00 . A A . 17 THR H 1 1 17 7993 1 1 17 THR HA H 1.216 2.662 2.415 1.00 . A A . 17 THR HA 1 1 17 7994 1 1 17 THR HB H 2.661 4.335 2.375 1.00 . A A . 17 THR HB 1 1 17 7995 1 1 17 THR HG1 H 4.354 4.625 1.144 1.00 . A A . 17 THR HG1 1 1 17 7996 1 1 17 THR HG21 H 4.805 3.648 3.242 1.00 . A A . 17 THR HG21 1 1 17 7997 1 1 17 THR HG22 H 4.614 2.035 2.504 1.00 . A A . 17 THR HG22 1 1 17 7998 1 1 17 THR HG23 H 3.559 2.533 3.853 1.00 . A A . 17 THR HG23 1 1 17 7999 1 1 17 THR N N 2.267 1.013 1.853 1.00 . A A . 17 THR N 1 1 17 8000 1 1 17 THR O O 1.187 3.893 -0.069 1.00 . A A . 17 THR O 1 1 17 8001 1 1 17 THR OG1 O 3.915 3.807 0.886 1.00 . A A . 17 THR OG1 1 1 17 8002 1 1 18 GLU C C -1.254 2.474 -1.998 1.00 . A A . 18 GLU C 1 1 17 8003 1 1 18 GLU CA C 0.174 1.911 -1.723 1.00 . A A . 18 GLU CA 1 1 17 8004 1 1 18 GLU CB C 0.434 0.600 -2.492 1.00 . A A . 18 GLU CB 1 1 17 8005 1 1 18 GLU CD C 2.319 0.022 -4.118 1.00 . A A . 18 GLU CD 1 1 17 8006 1 1 18 GLU CG C 1.925 0.272 -2.659 1.00 . A A . 18 GLU CG 1 1 17 8007 1 1 18 GLU H H 0.631 0.821 0.047 1.00 . A A . 18 GLU H 1 1 17 8008 1 1 18 GLU HA H 0.885 2.641 -2.112 1.00 . A A . 18 GLU HA 1 1 17 8009 1 1 18 GLU HB2 H -0.044 -0.217 -1.957 1.00 . A A . 18 GLU HB2 1 1 17 8010 1 1 18 GLU HB3 H -0.019 0.658 -3.480 1.00 . A A . 18 GLU HB3 1 1 17 8011 1 1 18 GLU HG2 H 2.530 1.094 -2.278 1.00 . A A . 18 GLU HG2 1 1 17 8012 1 1 18 GLU HG3 H 2.143 -0.618 -2.067 1.00 . A A . 18 GLU HG3 1 1 17 8013 1 1 18 GLU N N 0.575 1.767 -0.315 1.00 . A A . 18 GLU N 1 1 17 8014 1 1 18 GLU O O -1.679 2.503 -3.157 1.00 . A A . 18 GLU O 1 1 17 8015 1 1 18 GLU OE1 O 2.400 0.985 -4.921 1.00 . A A . 18 GLU OE1 1 1 17 8016 1 1 18 GLU OE2 O 2.585 -1.142 -4.501 1.00 . A A . 18 GLU OE2 1 1 17 8017 1 1 19 ARG C C -4.452 2.380 -1.183 1.00 . A A . 19 ARG C 1 1 17 8018 1 1 19 ARG CA C -3.384 3.451 -0.968 1.00 . A A . 19 ARG CA 1 1 17 8019 1 1 19 ARG CB C -3.564 4.611 -1.971 1.00 . A A . 19 ARG CB 1 1 17 8020 1 1 19 ARG CD C -4.864 6.648 -2.726 1.00 . A A . 19 ARG CD 1 1 17 8021 1 1 19 ARG CG C -4.756 5.526 -1.675 1.00 . A A . 19 ARG CG 1 1 17 8022 1 1 19 ARG CZ C -6.542 8.275 -1.787 1.00 . A A . 19 ARG CZ 1 1 17 8023 1 1 19 ARG H H -1.555 2.828 -0.061 1.00 . A A . 19 ARG H 1 1 17 8024 1 1 19 ARG HA H -3.583 3.834 0.044 1.00 . A A . 19 ARG HA 1 1 17 8025 1 1 19 ARG HB2 H -2.679 5.222 -1.955 1.00 . A A . 19 ARG HB2 1 1 17 8026 1 1 19 ARG HB3 H -3.656 4.205 -2.980 1.00 . A A . 19 ARG HB3 1 1 17 8027 1 1 19 ARG HD2 H -3.878 6.826 -3.159 1.00 . A A . 19 ARG HD2 1 1 17 8028 1 1 19 ARG HD3 H -5.519 6.336 -3.538 1.00 . A A . 19 ARG HD3 1 1 17 8029 1 1 19 ARG HE H -4.621 8.632 -1.991 1.00 . A A . 19 ARG HE 1 1 17 8030 1 1 19 ARG HG2 H -5.683 4.950 -1.668 1.00 . A A . 19 ARG HG2 1 1 17 8031 1 1 19 ARG HG3 H -4.606 5.961 -0.686 1.00 . A A . 19 ARG HG3 1 1 17 8032 1 1 19 ARG HH11 H -7.575 6.753 -2.615 1.00 . A A . 19 ARG HH11 1 1 17 8033 1 1 19 ARG HH12 H -8.485 7.932 -1.673 1.00 . A A . 19 ARG HH12 1 1 17 8034 1 1 19 ARG HH21 H -5.929 10.014 -1.021 1.00 . A A . 19 ARG HH21 1 1 17 8035 1 1 19 ARG HH22 H -7.658 9.667 -0.920 1.00 . A A . 19 ARG HH22 1 1 17 8036 1 1 19 ARG N N -1.978 2.948 -0.967 1.00 . A A . 19 ARG N 1 1 17 8037 1 1 19 ARG NE N -5.324 7.918 -2.143 1.00 . A A . 19 ARG NE 1 1 17 8038 1 1 19 ARG NH1 N -7.603 7.564 -2.002 1.00 . A A . 19 ARG NH1 1 1 17 8039 1 1 19 ARG NH2 N -6.716 9.400 -1.173 1.00 . A A . 19 ARG NH2 1 1 17 8040 1 1 19 ARG O O -4.862 2.152 -2.342 1.00 . A A . 19 ARG O 1 1 17 8041 1 1 19 ARG OXT O -4.951 1.850 -0.182 1.00 . A A . 19 ARG OXT 1 1 17 8042 2 2 1 DT C1' C 10.514 2.455 -0.255 1.00 . B B . 20 DT C1' 1 1 17 8043 2 2 1 DT C2 C 11.873 0.402 0.267 1.00 . B B . 20 DT C2 1 1 17 8044 2 2 1 DT C2' C 9.090 2.719 -0.766 1.00 . B B . 20 DT C2' 1 1 17 8045 2 2 1 DT C3' C 8.692 3.930 0.061 1.00 . B B . 20 DT C3' 1 1 17 8046 2 2 1 DT C4 C 11.950 -1.472 -1.307 1.00 . B B . 20 DT C4 1 1 17 8047 2 2 1 DT C4' C 9.501 3.737 1.348 1.00 . B B . 20 DT C4' 1 1 17 8048 2 2 1 DT C5 C 11.244 -0.627 -2.264 1.00 . B B . 20 DT C5 1 1 17 8049 2 2 1 DT C5' C 8.670 3.587 2.628 1.00 . B B . 20 DT C5' 1 1 17 8050 2 2 1 DT C6 C 10.835 0.622 -1.913 1.00 . B B . 20 DT C6 1 1 17 8051 2 2 1 DT C7 C 10.958 -1.137 -3.667 1.00 . B B . 20 DT C7 1 1 17 8052 2 2 1 DT H1' H 11.179 3.244 -0.625 1.00 . B B . 20 DT H1' 1 1 17 8053 2 2 1 DT H2' H 8.449 1.873 -0.534 1.00 . B B . 20 DT H2' 1 1 17 8054 2 2 1 DT H2'' H 9.025 2.956 -1.827 1.00 . B B . 20 DT H2'' 1 1 17 8055 2 2 1 DT H3 H 12.747 -1.415 0.566 1.00 . B B . 20 DT H3 1 1 17 8056 2 2 1 DT H3' H 7.614 3.957 0.231 1.00 . B B . 20 DT H3' 1 1 17 8057 2 2 1 DT H4' H 10.150 4.603 1.472 1.00 . B B . 20 DT H4' 1 1 17 8058 2 2 1 DT H5' H 9.352 3.402 3.460 1.00 . B B . 20 DT H5' 1 1 17 8059 2 2 1 DT H5'' H 8.162 4.533 2.808 1.00 . B B . 20 DT H5'' 1 1 17 8060 2 2 1 DT H6 H 10.312 1.226 -2.641 1.00 . B B . 20 DT H6 1 1 17 8061 2 2 1 DT H71 H 11.889 -1.481 -4.120 1.00 . B B . 20 DT H71 1 1 17 8062 2 2 1 DT H72 H 10.535 -0.353 -4.294 1.00 . B B . 20 DT H72 1 1 17 8063 2 2 1 DT H73 H 10.271 -1.982 -3.618 1.00 . B B . 20 DT H73 1 1 17 8064 2 2 1 DT HO5' H 7.221 2.566 3.432 1.00 . B B . 20 DT HO5' 1 1 17 8065 2 2 1 DT N1 N 11.065 1.120 -0.641 1.00 . B B . 20 DT N1 1 1 17 8066 2 2 1 DT N3 N 12.221 -0.876 -0.101 1.00 . B B . 20 DT N3 1 1 17 8067 2 2 1 DT O2 O 12.305 0.827 1.343 1.00 . B B . 20 DT O2 1 1 17 8068 2 2 1 DT O3' O 9.159 5.078 -0.622 1.00 . B B . 20 DT O3' 1 1 17 8069 2 2 1 DT O4 O 12.295 -2.638 -1.472 1.00 . B B . 20 DT O4 1 1 17 8070 2 2 1 DT O4' O 10.321 2.605 1.143 1.00 . B B . 20 DT O4' 1 1 17 8071 2 2 1 DT O5' O 7.702 2.549 2.568 1.00 . B B . 20 DT O5' 1 1 17 8072 2 2 2 DA C1' C 4.418 5.333 -3.212 1.00 . B B . 21 DA C1' 1 1 17 8073 2 2 2 DA C2 C 7.917 3.191 -4.952 1.00 . B B . 21 DA C2 1 1 17 8074 2 2 2 DA C2' C 3.534 5.905 -2.091 1.00 . B B . 21 DA C2' 1 1 17 8075 2 2 2 DA C3' C 4.391 6.982 -1.442 1.00 . B B . 21 DA C3' 1 1 17 8076 2 2 2 DA C4 C 6.223 3.504 -3.515 1.00 . B B . 21 DA C4 1 1 17 8077 2 2 2 DA C4' C 5.384 7.359 -2.552 1.00 . B B . 21 DA C4' 1 1 17 8078 2 2 2 DA C5 C 6.361 2.247 -2.985 1.00 . B B . 21 DA C5 1 1 17 8079 2 2 2 DA C5' C 6.821 7.515 -2.054 1.00 . B B . 21 DA C5' 1 1 17 8080 2 2 2 DA C6 C 7.379 1.467 -3.578 1.00 . B B . 21 DA C6 1 1 17 8081 2 2 2 DA C8 C 4.711 3.103 -1.988 1.00 . B B . 21 DA C8 1 1 17 8082 2 2 2 DA H1' H 3.778 5.097 -4.061 1.00 . B B . 21 DA H1' 1 1 17 8083 2 2 2 DA H2 H 8.557 3.560 -5.742 1.00 . B B . 21 DA H2 1 1 17 8084 2 2 2 DA H2' H 3.220 5.180 -1.347 1.00 . B B . 21 DA H2' 1 1 17 8085 2 2 2 DA H2'' H 2.646 6.322 -2.532 1.00 . B B . 21 DA H2'' 1 1 17 8086 2 2 2 DA H3' H 4.949 6.483 -0.652 1.00 . B B . 21 DA H3' 1 1 17 8087 2 2 2 DA H4' H 5.092 8.316 -2.971 1.00 . B B . 21 DA H4' 1 1 17 8088 2 2 2 DA H5' H 7.491 7.549 -2.913 1.00 . B B . 21 DA H5' 1 1 17 8089 2 2 2 DA H5'' H 6.892 8.459 -1.513 1.00 . B B . 21 DA H5'' 1 1 17 8090 2 2 2 DA H61 H 8.274 -0.301 -3.857 1.00 . B B . 21 DA H61 1 1 17 8091 2 2 2 DA H62 H 7.056 -0.235 -2.573 1.00 . B B . 21 DA H62 1 1 17 8092 2 2 2 DA H8 H 3.846 3.247 -1.361 1.00 . B B . 21 DA H8 1 1 17 8093 2 2 2 DA N1 N 8.152 1.950 -4.552 1.00 . B B . 21 DA N1 1 1 17 8094 2 2 2 DA N3 N 6.975 4.028 -4.529 1.00 . B B . 21 DA N3 1 1 17 8095 2 2 2 DA N6 N 7.650 0.218 -3.259 1.00 . B B . 21 DA N6 1 1 17 8096 2 2 2 DA N7 N 5.403 1.997 -1.999 1.00 . B B . 21 DA N7 1 1 17 8097 2 2 2 DA N9 N 5.142 4.076 -2.858 1.00 . B B . 21 DA N9 1 1 17 8098 2 2 2 DA O3' O 3.673 8.076 -0.857 1.00 . B B . 21 DA O3' 1 1 17 8099 2 2 2 DA O4' O 5.291 6.386 -3.587 1.00 . B B . 21 DA O4' 1 1 17 8100 2 2 2 DA O5' O 7.196 6.453 -1.198 1.00 . B B . 21 DA O5' 1 1 17 8101 2 2 2 DA OP1 O 9.464 7.483 -0.945 1.00 . B B . 21 DA OP1 1 1 17 8102 2 2 2 DA OP2 O 8.175 6.609 1.080 1.00 . B B . 21 DA OP2 1 1 17 8103 2 2 2 DA P P 8.528 6.503 -0.354 1.00 . B B . 21 DA P 1 1 17 8104 2 2 3 DC C1' C -1.595 7.420 -0.354 1.00 . B B . 22 DC C1' 1 1 17 8105 2 2 3 DC C2 C -1.166 7.857 -2.831 1.00 . B B . 22 DC C2 1 1 17 8106 2 2 3 DC C2' C -0.932 6.889 0.947 1.00 . B B . 22 DC C2' 1 1 17 8107 2 2 3 DC C3' C -0.108 8.066 1.479 1.00 . B B . 22 DC C3' 1 1 17 8108 2 2 3 DC C4 C 0.107 6.412 -4.086 1.00 . B B . 22 DC C4 1 1 17 8109 2 2 3 DC C4' C -0.543 9.258 0.611 1.00 . B B . 22 DC C4' 1 1 17 8110 2 2 3 DC C5 C 0.221 5.503 -3.017 1.00 . B B . 22 DC C5 1 1 17 8111 2 2 3 DC C5' C 0.571 9.824 -0.291 1.00 . B B . 22 DC C5' 1 1 17 8112 2 2 3 DC C6 C -0.306 5.880 -1.832 1.00 . B B . 22 DC C6 1 1 17 8113 2 2 3 DC H1' H -2.614 7.032 -0.399 1.00 . B B . 22 DC H1' 1 1 17 8114 2 2 3 DC H2' H -0.297 6.004 0.828 1.00 . B B . 22 DC H2' 1 1 17 8115 2 2 3 DC H2'' H -1.725 6.625 1.645 1.00 . B B . 22 DC H2'' 1 1 17 8116 2 2 3 DC H3' H 0.938 7.855 1.250 1.00 . B B . 22 DC H3' 1 1 17 8117 2 2 3 DC H4' H -0.865 10.072 1.262 1.00 . B B . 22 DC H4' 1 1 17 8118 2 2 3 DC H41 H 0.619 6.812 -5.961 1.00 . B B . 22 DC H41 1 1 17 8119 2 2 3 DC H42 H 1.124 5.241 -5.350 1.00 . B B . 22 DC H42 1 1 17 8120 2 2 3 DC H5 H 0.709 4.550 -3.120 1.00 . B B . 22 DC H5 1 1 17 8121 2 2 3 DC H5' H 0.131 10.523 -1.004 1.00 . B B . 22 DC H5' 1 1 17 8122 2 2 3 DC H5'' H 1.247 10.384 0.354 1.00 . B B . 22 DC H5'' 1 1 17 8123 2 2 3 DC H6 H -0.298 5.193 -1.014 1.00 . B B . 22 DC H6 1 1 17 8124 2 2 3 DC N1 N -0.935 7.086 -1.669 1.00 . B B . 22 DC N1 1 1 17 8125 2 2 3 DC N3 N -0.602 7.519 -4.022 1.00 . B B . 22 DC N3 1 1 17 8126 2 2 3 DC N4 N 0.635 6.108 -5.231 1.00 . B B . 22 DC N4 1 1 17 8127 2 2 3 DC O2 O -1.941 8.816 -2.865 1.00 . B B . 22 DC O2 1 1 17 8128 2 2 3 DC O3' O -0.193 8.310 2.892 1.00 . B B . 22 DC O3' 1 1 17 8129 2 2 3 DC O4' O -1.673 8.819 -0.129 1.00 . B B . 22 DC O4' 1 1 17 8130 2 2 3 DC O5' O 1.314 8.832 -0.996 1.00 . B B . 22 DC O5' 1 1 17 8131 2 2 3 DC OP1 O 2.652 8.777 -3.097 1.00 . B B . 22 DC OP1 1 1 17 8132 2 2 3 DC OP2 O 3.186 10.491 -1.287 1.00 . B B . 22 DC OP2 1 1 17 8133 2 2 3 DC P P 2.739 9.123 -1.659 1.00 . B B . 22 DC P 1 1 17 8134 2 2 4 DG C1' C -0.477 3.576 4.577 1.00 . B B . 23 DG C1' 1 1 17 8135 2 2 4 DG C2 C 2.487 6.923 4.640 1.00 . B B . 23 DG C2 1 1 17 8136 2 2 4 DG C2' C -1.476 3.049 5.615 1.00 . B B . 23 DG C2' 1 1 17 8137 2 2 4 DG C3' C -2.432 4.218 5.843 1.00 . B B . 23 DG C3' 1 1 17 8138 2 2 4 DG C4 C 1.704 4.885 5.173 1.00 . B B . 23 DG C4 1 1 17 8139 2 2 4 DG C4' C -2.401 4.883 4.460 1.00 . B B . 23 DG C4' 1 1 17 8140 2 2 4 DG C5 C 2.822 4.561 5.921 1.00 . B B . 23 DG C5 1 1 17 8141 2 2 4 DG C5' C -2.842 6.354 4.311 1.00 . B B . 23 DG C5' 1 1 17 8142 2 2 4 DG C6 C 3.883 5.533 6.009 1.00 . B B . 23 DG C6 1 1 17 8143 2 2 4 DG C8 C 1.552 2.880 5.995 1.00 . B B . 23 DG C8 1 1 17 8144 2 2 4 DG H1 H 4.232 7.488 5.507 1.00 . B B . 23 DG H1 1 1 17 8145 2 2 4 DG H1' H -0.396 2.847 3.772 1.00 . B B . 23 DG H1' 1 1 17 8146 2 2 4 DG H2' H -1.005 2.775 6.551 1.00 . B B . 23 DG H2' 1 1 17 8147 2 2 4 DG H2'' H -1.979 2.145 5.239 1.00 . B B . 23 DG H2'' 1 1 17 8148 2 2 4 DG H21 H 3.144 8.731 4.036 1.00 . B B . 23 DG H21 1 1 17 8149 2 2 4 DG H22 H 1.501 8.232 3.548 1.00 . B B . 23 DG H22 1 1 17 8150 2 2 4 DG H3' H -2.028 4.906 6.586 1.00 . B B . 23 DG H3' 1 1 17 8151 2 2 4 DG H4' H -3.065 4.300 3.830 1.00 . B B . 23 DG H4' 1 1 17 8152 2 2 4 DG H5' H -3.144 6.489 3.275 1.00 . B B . 23 DG H5' 1 1 17 8153 2 2 4 DG H5'' H -3.723 6.532 4.919 1.00 . B B . 23 DG H5'' 1 1 17 8154 2 2 4 DG H8 H 1.157 1.904 6.204 1.00 . B B . 23 DG H8 1 1 17 8155 2 2 4 DG N1 N 3.615 6.709 5.343 1.00 . B B . 23 DG N1 1 1 17 8156 2 2 4 DG N2 N 2.392 8.054 4.003 1.00 . B B . 23 DG N2 1 1 17 8157 2 2 4 DG N3 N 1.497 6.057 4.506 1.00 . B B . 23 DG N3 1 1 17 8158 2 2 4 DG N7 N 2.700 3.272 6.464 1.00 . B B . 23 DG N7 1 1 17 8159 2 2 4 DG N9 N 0.866 3.782 5.219 1.00 . B B . 23 DG N9 1 1 17 8160 2 2 4 DG O3' O -3.638 3.602 6.272 1.00 . B B . 23 DG O3' 1 1 17 8161 2 2 4 DG O4' O -1.065 4.730 4.000 1.00 . B B . 23 DG O4' 1 1 17 8162 2 2 4 DG O5' O -1.849 7.317 4.661 1.00 . B B . 23 DG O5' 1 1 17 8163 2 2 4 DG O6 O 4.981 5.461 6.562 1.00 . B B . 23 DG O6 1 1 17 8164 2 2 4 DG OP1 O -2.664 8.880 2.856 1.00 . B B . 23 DG OP1 1 1 17 8165 2 2 4 DG OP2 O -1.183 9.665 4.731 1.00 . B B . 23 DG OP2 1 1 17 8166 2 2 4 DG P P -1.524 8.604 3.755 1.00 . B B . 23 DG P 1 1 17 8167 2 2 5 DC C1' C -6.442 4.342 1.327 1.00 . B B . 24 DC C1' 1 1 17 8168 2 2 5 DC C2 C -7.901 2.440 0.617 1.00 . B B . 24 DC C2 1 1 17 8169 2 2 5 DC C2' C -7.333 5.526 1.004 1.00 . B B . 24 DC C2' 1 1 17 8170 2 2 5 DC C3' C -7.659 6.085 2.382 1.00 . B B . 24 DC C3' 1 1 17 8171 2 2 5 DC C4 C -8.819 0.964 2.110 1.00 . B B . 24 DC C4 1 1 17 8172 2 2 5 DC C4' C -6.310 5.918 3.086 1.00 . B B . 24 DC C4' 1 1 17 8173 2 2 5 DC C5 C -8.246 1.639 3.216 1.00 . B B . 24 DC C5 1 1 17 8174 2 2 5 DC C5' C -6.393 5.658 4.609 1.00 . B B . 24 DC C5' 1 1 17 8175 2 2 5 DC C6 C -7.451 2.711 2.958 1.00 . B B . 24 DC C6 1 1 17 8176 2 2 5 DC H1' H -5.818 4.082 0.469 1.00 . B B . 24 DC H1' 1 1 17 8177 2 2 5 DC H2' H -8.201 5.208 0.446 1.00 . B B . 24 DC H2' 1 1 17 8178 2 2 5 DC H2'' H -6.782 6.265 0.433 1.00 . B B . 24 DC H2'' 1 1 17 8179 2 2 5 DC H3' H -8.399 5.454 2.873 1.00 . B B . 24 DC H3' 1 1 17 8180 2 2 5 DC H4' H -5.732 6.825 2.921 1.00 . B B . 24 DC H4' 1 1 17 8181 2 2 5 DC H41 H -10.066 -0.458 1.509 1.00 . B B . 24 DC H41 1 1 17 8182 2 2 5 DC H42 H -9.868 -0.307 3.259 1.00 . B B . 24 DC H42 1 1 17 8183 2 2 5 DC H5 H -8.428 1.328 4.231 1.00 . B B . 24 DC H5 1 1 17 8184 2 2 5 DC H5' H -6.163 6.587 5.125 1.00 . B B . 24 DC H5' 1 1 17 8185 2 2 5 DC H5'' H -7.399 5.346 4.893 1.00 . B B . 24 DC H5'' 1 1 17 8186 2 2 5 DC H6 H -6.973 3.242 3.772 1.00 . B B . 24 DC H6 1 1 17 8187 2 2 5 DC N1 N -7.255 3.128 1.663 1.00 . B B . 24 DC N1 1 1 17 8188 2 2 5 DC N3 N -8.681 1.356 0.865 1.00 . B B . 24 DC N3 1 1 17 8189 2 2 5 DC N4 N -9.654 -0.013 2.309 1.00 . B B . 24 DC N4 1 1 17 8190 2 2 5 DC O2 O -7.881 2.834 -0.550 1.00 . B B . 24 DC O2 1 1 17 8191 2 2 5 DC O3' O -8.109 7.420 2.212 1.00 . B B . 24 DC O3' 1 1 17 8192 2 2 5 DC O4' O -5.650 4.860 2.389 1.00 . B B . 24 DC O4' 1 1 17 8193 2 2 5 DC O5' O -5.447 4.670 4.997 1.00 . B B . 24 DC O5' 1 1 17 8194 2 2 5 DC OP1 O -4.700 5.653 7.204 1.00 . B B . 24 DC OP1 1 1 17 8195 2 2 5 DC OP2 O -5.957 3.455 7.140 1.00 . B B . 24 DC OP2 1 1 17 8196 2 2 5 DC P P -5.002 4.384 6.505 1.00 . B B . 24 DC P 1 1 17 8197 2 2 6 DC C1' C -13.100 3.737 1.755 1.00 . B B . 25 DC C1' 1 1 17 8198 2 2 6 DC C2 C -14.531 2.729 -0.036 1.00 . B B . 25 DC C2 1 1 17 8199 2 2 6 DC C2' C -11.757 3.015 1.914 1.00 . B B . 25 DC C2' 1 1 17 8200 2 2 6 DC C3' C -11.039 3.803 3.013 1.00 . B B . 25 DC C3' 1 1 17 8201 2 2 6 DC C4 C -14.800 3.744 -2.076 1.00 . B B . 25 DC C4 1 1 17 8202 2 2 6 DC C4' C -12.007 4.948 3.342 1.00 . B B . 25 DC C4' 1 1 17 8203 2 2 6 DC C5 C -13.872 4.765 -1.754 1.00 . B B . 25 DC C5 1 1 17 8204 2 2 6 DC C5' C -11.326 6.277 3.709 1.00 . B B . 25 DC C5' 1 1 17 8205 2 2 6 DC C6 C -13.313 4.733 -0.519 1.00 . B B . 25 DC C6 1 1 17 8206 2 2 6 DC H1' H -13.835 3.267 2.420 1.00 . B B . 25 DC H1' 1 1 17 8207 2 2 6 DC H2' H -11.161 3.062 1.005 1.00 . B B . 25 DC H2' 1 1 17 8208 2 2 6 DC H2'' H -11.923 1.974 2.190 1.00 . B B . 25 DC H2'' 1 1 17 8209 2 2 6 DC H3' H -10.098 4.197 2.620 1.00 . B B . 25 DC H3' 1 1 17 8210 2 2 6 DC H4' H -12.618 4.643 4.194 1.00 . B B . 25 DC H4' 1 1 17 8211 2 2 6 DC H41 H -16.147 3.126 -3.414 1.00 . B B . 25 DC H41 1 1 17 8212 2 2 6 DC H42 H -15.185 4.517 -3.875 1.00 . B B . 25 DC H42 1 1 17 8213 2 2 6 DC H5 H -13.616 5.556 -2.441 1.00 . B B . 25 DC H5 1 1 17 8214 2 2 6 DC H5' H -12.091 7.030 3.894 1.00 . B B . 25 DC H5' 1 1 17 8215 2 2 6 DC H5'' H -10.769 6.122 4.635 1.00 . B B . 25 DC H5'' 1 1 17 8216 2 2 6 DC H6 H -12.625 5.508 -0.209 1.00 . B B . 25 DC H6 1 1 17 8217 2 2 6 DC HO3' H -10.454 2.127 3.842 1.00 . B B . 25 DC HO3' 1 1 17 8218 2 2 6 DC N1 N -13.633 3.731 0.360 1.00 . B B . 25 DC N1 1 1 17 8219 2 2 6 DC N3 N -15.137 2.769 -1.250 1.00 . B B . 25 DC N3 1 1 17 8220 2 2 6 DC N4 N -15.412 3.791 -3.221 1.00 . B B . 25 DC N4 1 1 17 8221 2 2 6 DC O2 O -14.799 1.769 0.694 1.00 . B B . 25 DC O2 1 1 17 8222 2 2 6 DC O3' O -10.825 2.970 4.142 1.00 . B B . 25 DC O3' 1 1 17 8223 2 2 6 DC O4' O -12.853 5.056 2.216 1.00 . B B . 25 DC O4' 1 1 17 8224 2 2 6 DC O5' O -10.435 6.734 2.698 1.00 . B B . 25 DC O5' 1 1 17 8225 2 2 6 DC OP1 O -9.933 9.109 2.205 1.00 . B B . 25 DC OP1 1 1 17 8226 2 2 6 DC OP2 O -9.109 8.089 4.391 1.00 . B B . 25 DC OP2 1 1 17 8227 2 2 6 DC P P -9.414 7.943 2.953 1.00 . B B . 25 DC P 1 1 17 8228 3 3 1 ZN ZN ZN 0.255 -3.797 0.075 1.00 . C A . 26 ZN ZN 1 1 18 8229 1 1 1 LYS C C -4.847 -11.341 4.079 1.00 . A A . 1 LYS C 1 1 18 8230 1 1 1 LYS CA C -6.224 -11.564 4.721 1.00 . A A . 1 LYS CA 1 1 18 8231 1 1 1 LYS CB C -7.133 -12.536 3.935 1.00 . A A . 1 LYS CB 1 1 18 8232 1 1 1 LYS CD C -8.421 -13.029 1.762 1.00 . A A . 1 LYS CD 1 1 18 8233 1 1 1 LYS CE C -9.841 -13.284 2.275 1.00 . A A . 1 LYS CE 1 1 18 8234 1 1 1 LYS CG C -7.660 -11.984 2.594 1.00 . A A . 1 LYS CG 1 1 18 8235 1 1 1 LYS H1 H -6.942 -9.714 4.129 1.00 . A A . 1 LYS H1 1 1 18 8236 1 1 1 LYS H2 H -6.402 -9.740 5.671 1.00 . A A . 1 LYS H2 1 1 18 8237 1 1 1 LYS H3 H -7.853 -10.395 5.291 1.00 . A A . 1 LYS H3 1 1 18 8238 1 1 1 LYS HA H -6.034 -12.032 5.687 1.00 . A A . 1 LYS HA 1 1 18 8239 1 1 1 LYS HB2 H -6.580 -13.457 3.750 1.00 . A A . 1 LYS HB2 1 1 18 8240 1 1 1 LYS HB3 H -7.992 -12.785 4.557 1.00 . A A . 1 LYS HB3 1 1 18 8241 1 1 1 LYS HD2 H -8.476 -12.691 0.724 1.00 . A A . 1 LYS HD2 1 1 18 8242 1 1 1 LYS HD3 H -7.865 -13.970 1.771 1.00 . A A . 1 LYS HD3 1 1 18 8243 1 1 1 LYS HE2 H -10.235 -14.185 1.797 1.00 . A A . 1 LYS HE2 1 1 18 8244 1 1 1 LYS HE3 H -9.805 -13.464 3.353 1.00 . A A . 1 LYS HE3 1 1 18 8245 1 1 1 LYS HG2 H -8.307 -11.134 2.800 1.00 . A A . 1 LYS HG2 1 1 18 8246 1 1 1 LYS HG3 H -6.833 -11.626 1.982 1.00 . A A . 1 LYS HG3 1 1 18 8247 1 1 1 LYS HZ1 H -11.218 -11.844 2.830 1.00 . A A . 1 LYS HZ1 1 1 18 8248 1 1 1 LYS HZ2 H -11.454 -12.401 1.309 1.00 . A A . 1 LYS HZ2 1 1 18 8249 1 1 1 LYS HZ3 H -10.233 -11.330 1.636 1.00 . A A . 1 LYS HZ3 1 1 18 8250 1 1 1 LYS N N -6.902 -10.274 4.972 1.00 . A A . 1 LYS N 1 1 18 8251 1 1 1 LYS NZ N -10.741 -12.143 1.984 1.00 . A A . 1 LYS NZ 1 1 18 8252 1 1 1 LYS O O -4.600 -11.740 2.941 1.00 . A A . 1 LYS O 1 1 18 8253 1 1 2 GLY C C -2.207 -8.951 4.191 1.00 . A A . 2 GLY C 1 1 18 8254 1 1 2 GLY CA C -2.568 -10.430 4.282 1.00 . A A . 2 GLY CA 1 1 18 8255 1 1 2 GLY H H -4.150 -10.382 5.730 1.00 . A A . 2 GLY H 1 1 18 8256 1 1 2 GLY HA2 H -1.850 -10.922 4.925 1.00 . A A . 2 GLY HA2 1 1 18 8257 1 1 2 GLY HA3 H -2.449 -10.869 3.296 1.00 . A A . 2 GLY HA3 1 1 18 8258 1 1 2 GLY N N -3.919 -10.694 4.790 1.00 . A A . 2 GLY N 1 1 18 8259 1 1 2 GLY O O -2.151 -8.259 5.212 1.00 . A A . 2 GLY O 1 1 18 8260 1 1 3 CYS C C -2.966 -6.232 3.029 1.00 . A A . 3 CYS C 1 1 18 8261 1 1 3 CYS CA C -1.707 -7.052 2.701 1.00 . A A . 3 CYS CA 1 1 18 8262 1 1 3 CYS CB C -1.285 -6.818 1.239 1.00 . A A . 3 CYS CB 1 1 18 8263 1 1 3 CYS H H -2.027 -9.092 2.185 1.00 . A A . 3 CYS H 1 1 18 8264 1 1 3 CYS HA H -0.893 -6.719 3.345 1.00 . A A . 3 CYS HA 1 1 18 8265 1 1 3 CYS HB2 H -0.581 -7.570 0.895 1.00 . A A . 3 CYS HB2 1 1 18 8266 1 1 3 CYS HB3 H -2.171 -6.880 0.621 1.00 . A A . 3 CYS HB3 1 1 18 8267 1 1 3 CYS N N -1.939 -8.472 2.966 1.00 . A A . 3 CYS N 1 1 18 8268 1 1 3 CYS O O -4.102 -6.694 2.876 1.00 . A A . 3 CYS O 1 1 18 8269 1 1 3 CYS SG S -0.550 -5.163 1.050 1.00 . A A . 3 CYS SG 1 1 18 8270 1 1 4 TRP C C -4.734 -3.671 2.676 1.00 . A A . 4 TRP C 1 1 18 8271 1 1 4 TRP CA C -3.751 -4.013 3.811 1.00 . A A . 4 TRP CA 1 1 18 8272 1 1 4 TRP CB C -2.978 -2.768 4.220 1.00 . A A . 4 TRP CB 1 1 18 8273 1 1 4 TRP CD1 C -4.984 -1.344 4.873 1.00 . A A . 4 TRP CD1 1 1 18 8274 1 1 4 TRP CD2 C -3.404 -0.274 3.684 1.00 . A A . 4 TRP CD2 1 1 18 8275 1 1 4 TRP CE2 C -4.489 0.624 3.847 1.00 . A A . 4 TRP CE2 1 1 18 8276 1 1 4 TRP CE3 C -2.267 0.171 2.981 1.00 . A A . 4 TRP CE3 1 1 18 8277 1 1 4 TRP CG C -3.774 -1.527 4.293 1.00 . A A . 4 TRP CG 1 1 18 8278 1 1 4 TRP CH2 C -3.351 2.308 2.545 1.00 . A A . 4 TRP CH2 1 1 18 8279 1 1 4 TRP CZ2 C -4.482 1.885 3.267 1.00 . A A . 4 TRP CZ2 1 1 18 8280 1 1 4 TRP CZ3 C -2.237 1.458 2.435 1.00 . A A . 4 TRP CZ3 1 1 18 8281 1 1 4 TRP H H -1.766 -4.716 3.464 1.00 . A A . 4 TRP H 1 1 18 8282 1 1 4 TRP HA H -4.329 -4.370 4.664 1.00 . A A . 4 TRP HA 1 1 18 8283 1 1 4 TRP HB2 H -2.464 -2.909 5.157 1.00 . A A . 4 TRP HB2 1 1 18 8284 1 1 4 TRP HB3 H -2.195 -2.599 3.480 1.00 . A A . 4 TRP HB3 1 1 18 8285 1 1 4 TRP HD1 H -5.557 -2.096 5.404 1.00 . A A . 4 TRP HD1 1 1 18 8286 1 1 4 TRP HE1 H -6.315 0.320 4.888 1.00 . A A . 4 TRP HE1 1 1 18 8287 1 1 4 TRP HE3 H -1.429 -0.494 2.841 1.00 . A A . 4 TRP HE3 1 1 18 8288 1 1 4 TRP HH2 H -3.332 3.280 2.077 1.00 . A A . 4 TRP HH2 1 1 18 8289 1 1 4 TRP HZ2 H -5.354 2.498 3.394 1.00 . A A . 4 TRP HZ2 1 1 18 8290 1 1 4 TRP HZ3 H -1.354 1.771 1.915 1.00 . A A . 4 TRP HZ3 1 1 18 8291 1 1 4 TRP N N -2.739 -4.993 3.437 1.00 . A A . 4 TRP N 1 1 18 8292 1 1 4 TRP NE1 N -5.409 -0.059 4.607 1.00 . A A . 4 TRP NE1 1 1 18 8293 1 1 4 TRP O O -5.948 -3.734 2.874 1.00 . A A . 4 TRP O 1 1 18 8294 1 1 5 LYS C C -4.891 -4.000 -0.791 1.00 . A A . 5 LYS C 1 1 18 8295 1 1 5 LYS CA C -4.982 -2.937 0.304 1.00 . A A . 5 LYS CA 1 1 18 8296 1 1 5 LYS CB C -4.620 -1.502 -0.159 1.00 . A A . 5 LYS CB 1 1 18 8297 1 1 5 LYS CD C -3.209 -1.529 -2.349 1.00 . A A . 5 LYS CD 1 1 18 8298 1 1 5 LYS CE C -3.738 -0.371 -3.200 1.00 . A A . 5 LYS CE 1 1 18 8299 1 1 5 LYS CG C -3.242 -1.323 -0.822 1.00 . A A . 5 LYS CG 1 1 18 8300 1 1 5 LYS H H -3.198 -3.203 1.471 1.00 . A A . 5 LYS H 1 1 18 8301 1 1 5 LYS HA H -6.038 -2.900 0.579 1.00 . A A . 5 LYS HA 1 1 18 8302 1 1 5 LYS HB2 H -5.395 -1.139 -0.833 1.00 . A A . 5 LYS HB2 1 1 18 8303 1 1 5 LYS HB3 H -4.644 -0.854 0.717 1.00 . A A . 5 LYS HB3 1 1 18 8304 1 1 5 LYS HD2 H -2.166 -1.639 -2.630 1.00 . A A . 5 LYS HD2 1 1 18 8305 1 1 5 LYS HD3 H -3.703 -2.458 -2.621 1.00 . A A . 5 LYS HD3 1 1 18 8306 1 1 5 LYS HE2 H -3.546 0.579 -2.695 1.00 . A A . 5 LYS HE2 1 1 18 8307 1 1 5 LYS HE3 H -3.167 -0.353 -4.130 1.00 . A A . 5 LYS HE3 1 1 18 8308 1 1 5 LYS HG2 H -2.872 -0.322 -0.606 1.00 . A A . 5 LYS HG2 1 1 18 8309 1 1 5 LYS HG3 H -2.544 -2.013 -0.355 1.00 . A A . 5 LYS HG3 1 1 18 8310 1 1 5 LYS HZ1 H -5.418 -1.449 -3.795 1.00 . A A . 5 LYS HZ1 1 1 18 8311 1 1 5 LYS HZ2 H -5.382 0.074 -4.365 1.00 . A A . 5 LYS HZ2 1 1 18 8312 1 1 5 LYS HZ3 H -5.766 -0.157 -2.794 1.00 . A A . 5 LYS HZ3 1 1 18 8313 1 1 5 LYS N N -4.202 -3.294 1.504 1.00 . A A . 5 LYS N 1 1 18 8314 1 1 5 LYS NZ N -5.172 -0.494 -3.549 1.00 . A A . 5 LYS NZ 1 1 18 8315 1 1 5 LYS O O -5.852 -4.175 -1.543 1.00 . A A . 5 LYS O 1 1 18 8316 1 1 6 CYS C C -4.037 -6.946 -1.997 1.00 . A A . 6 CYS C 1 1 18 8317 1 1 6 CYS CA C -3.401 -5.547 -2.028 1.00 . A A . 6 CYS CA 1 1 18 8318 1 1 6 CYS CB C -1.875 -5.650 -2.104 1.00 . A A . 6 CYS CB 1 1 18 8319 1 1 6 CYS H H -3.001 -4.447 -0.275 1.00 . A A . 6 CYS H 1 1 18 8320 1 1 6 CYS HA H -3.729 -5.054 -2.935 1.00 . A A . 6 CYS HA 1 1 18 8321 1 1 6 CYS HB2 H -1.517 -6.355 -1.354 1.00 . A A . 6 CYS HB2 1 1 18 8322 1 1 6 CYS HB3 H -1.630 -6.042 -3.087 1.00 . A A . 6 CYS HB3 1 1 18 8323 1 1 6 CYS N N -3.759 -4.704 -0.885 1.00 . A A . 6 CYS N 1 1 18 8324 1 1 6 CYS O O -4.403 -7.504 -3.027 1.00 . A A . 6 CYS O 1 1 18 8325 1 1 6 CYS SG S -1.086 -4.039 -1.875 1.00 . A A . 6 CYS SG 1 1 18 8326 1 1 7 GLY C C -3.821 -10.035 -0.937 1.00 . A A . 7 GLY C 1 1 18 8327 1 1 7 GLY CA C -4.702 -8.849 -0.557 1.00 . A A . 7 GLY CA 1 1 18 8328 1 1 7 GLY H H -3.800 -6.996 -0.025 1.00 . A A . 7 GLY H 1 1 18 8329 1 1 7 GLY HA2 H -4.935 -8.931 0.500 1.00 . A A . 7 GLY HA2 1 1 18 8330 1 1 7 GLY HA3 H -5.609 -8.920 -1.146 1.00 . A A . 7 GLY HA3 1 1 18 8331 1 1 7 GLY N N -4.111 -7.537 -0.807 1.00 . A A . 7 GLY N 1 1 18 8332 1 1 7 GLY O O -4.291 -10.940 -1.625 1.00 . A A . 7 GLY O 1 1 18 8333 1 1 8 LYS C C -0.517 -11.526 -0.116 1.00 . A A . 8 LYS C 1 1 18 8334 1 1 8 LYS CA C -1.509 -10.935 -1.128 1.00 . A A . 8 LYS CA 1 1 18 8335 1 1 8 LYS CB C -0.735 -10.254 -2.268 1.00 . A A . 8 LYS CB 1 1 18 8336 1 1 8 LYS CD C -0.898 -9.120 -4.586 1.00 . A A . 8 LYS CD 1 1 18 8337 1 1 8 LYS CE C -0.146 -7.780 -4.521 1.00 . A A . 8 LYS CE 1 1 18 8338 1 1 8 LYS CG C -1.631 -9.591 -3.328 1.00 . A A . 8 LYS CG 1 1 18 8339 1 1 8 LYS H H -2.210 -9.176 -0.096 1.00 . A A . 8 LYS H 1 1 18 8340 1 1 8 LYS HA H -2.025 -11.803 -1.541 1.00 . A A . 8 LYS HA 1 1 18 8341 1 1 8 LYS HB2 H -0.080 -9.512 -1.819 1.00 . A A . 8 LYS HB2 1 1 18 8342 1 1 8 LYS HB3 H -0.118 -11.008 -2.760 1.00 . A A . 8 LYS HB3 1 1 18 8343 1 1 8 LYS HD2 H -0.216 -9.904 -4.911 1.00 . A A . 8 LYS HD2 1 1 18 8344 1 1 8 LYS HD3 H -1.665 -8.996 -5.351 1.00 . A A . 8 LYS HD3 1 1 18 8345 1 1 8 LYS HE2 H 0.510 -7.709 -5.397 1.00 . A A . 8 LYS HE2 1 1 18 8346 1 1 8 LYS HE3 H -0.874 -6.977 -4.597 1.00 . A A . 8 LYS HE3 1 1 18 8347 1 1 8 LYS HG2 H -2.376 -10.325 -3.640 1.00 . A A . 8 LYS HG2 1 1 18 8348 1 1 8 LYS HG3 H -2.148 -8.738 -2.895 1.00 . A A . 8 LYS HG3 1 1 18 8349 1 1 8 LYS HZ1 H 0.055 -7.643 -2.476 1.00 . A A . 8 LYS HZ1 1 1 18 8350 1 1 8 LYS HZ2 H 1.150 -6.715 -3.316 1.00 . A A . 8 LYS HZ2 1 1 18 8351 1 1 8 LYS HZ3 H 1.360 -8.332 -3.242 1.00 . A A . 8 LYS HZ3 1 1 18 8352 1 1 8 LYS N N -2.524 -9.997 -0.588 1.00 . A A . 8 LYS N 1 1 18 8353 1 1 8 LYS NZ N 0.648 -7.600 -3.291 1.00 . A A . 8 LYS NZ 1 1 18 8354 1 1 8 LYS O O 0.449 -12.175 -0.510 1.00 . A A . 8 LYS O 1 1 18 8355 1 1 9 GLU C C 1.658 -11.252 2.122 1.00 . A A . 9 GLU C 1 1 18 8356 1 1 9 GLU CA C 0.183 -11.700 2.266 1.00 . A A . 9 GLU CA 1 1 18 8357 1 1 9 GLU CB C 0.030 -13.215 2.504 1.00 . A A . 9 GLU CB 1 1 18 8358 1 1 9 GLU CD C -1.698 -15.069 2.758 1.00 . A A . 9 GLU CD 1 1 18 8359 1 1 9 GLU CG C -1.395 -13.581 2.935 1.00 . A A . 9 GLU CG 1 1 18 8360 1 1 9 GLU H H -1.631 -10.928 1.415 1.00 . A A . 9 GLU H 1 1 18 8361 1 1 9 GLU HA H -0.158 -11.221 3.177 1.00 . A A . 9 GLU HA 1 1 18 8362 1 1 9 GLU HB2 H 0.286 -13.757 1.592 1.00 . A A . 9 GLU HB2 1 1 18 8363 1 1 9 GLU HB3 H 0.707 -13.533 3.295 1.00 . A A . 9 GLU HB3 1 1 18 8364 1 1 9 GLU HG2 H -1.519 -13.292 3.978 1.00 . A A . 9 GLU HG2 1 1 18 8365 1 1 9 GLU HG3 H -2.121 -13.015 2.353 1.00 . A A . 9 GLU HG3 1 1 18 8366 1 1 9 GLU N N -0.716 -11.261 1.174 1.00 . A A . 9 GLU N 1 1 18 8367 1 1 9 GLU O O 2.557 -11.894 2.661 1.00 . A A . 9 GLU O 1 1 18 8368 1 1 9 GLU OE1 O -0.949 -15.936 3.262 1.00 . A A . 9 GLU OE1 1 1 18 8369 1 1 9 GLU OE2 O -2.750 -15.370 2.139 1.00 . A A . 9 GLU OE2 1 1 18 8370 1 1 10 GLY C C 4.045 -8.992 2.050 1.00 . A A . 10 GLY C 1 1 18 8371 1 1 10 GLY CA C 3.291 -9.780 0.981 1.00 . A A . 10 GLY CA 1 1 18 8372 1 1 10 GLY H H 1.167 -9.610 1.058 1.00 . A A . 10 GLY H 1 1 18 8373 1 1 10 GLY HA2 H 3.871 -10.669 0.729 1.00 . A A . 10 GLY HA2 1 1 18 8374 1 1 10 GLY HA3 H 3.226 -9.158 0.086 1.00 . A A . 10 GLY HA3 1 1 18 8375 1 1 10 GLY N N 1.934 -10.170 1.382 1.00 . A A . 10 GLY N 1 1 18 8376 1 1 10 GLY O O 5.244 -9.194 2.226 1.00 . A A . 10 GLY O 1 1 18 8377 1 1 11 HIS C C 2.690 -6.668 4.684 1.00 . A A . 11 HIS C 1 1 18 8378 1 1 11 HIS CA C 3.852 -7.354 3.929 1.00 . A A . 11 HIS CA 1 1 18 8379 1 1 11 HIS CB C 4.917 -6.340 3.442 1.00 . A A . 11 HIS CB 1 1 18 8380 1 1 11 HIS CD2 C 3.408 -4.929 1.947 1.00 . A A . 11 HIS CD2 1 1 18 8381 1 1 11 HIS CE1 C 4.714 -4.684 0.202 1.00 . A A . 11 HIS CE1 1 1 18 8382 1 1 11 HIS CG C 4.566 -5.608 2.188 1.00 . A A . 11 HIS CG 1 1 18 8383 1 1 11 HIS H H 2.358 -8.035 2.600 1.00 . A A . 11 HIS H 1 1 18 8384 1 1 11 HIS HA H 4.317 -8.059 4.614 1.00 . A A . 11 HIS HA 1 1 18 8385 1 1 11 HIS HB2 H 5.127 -5.594 4.208 1.00 . A A . 11 HIS HB2 1 1 18 8386 1 1 11 HIS HB3 H 5.847 -6.873 3.259 1.00 . A A . 11 HIS HB3 1 1 18 8387 1 1 11 HIS HD1 H 6.323 -5.788 0.970 1.00 . A A . 11 HIS HD1 1 1 18 8388 1 1 11 HIS HD2 H 2.601 -4.744 2.646 1.00 . A A . 11 HIS HD2 1 1 18 8389 1 1 11 HIS HE1 H 5.089 -4.296 -0.727 1.00 . A A . 11 HIS HE1 1 1 18 8390 1 1 11 HIS N N 3.344 -8.123 2.787 1.00 . A A . 11 HIS N 1 1 18 8391 1 1 11 HIS ND1 N 5.375 -5.447 1.083 1.00 . A A . 11 HIS ND1 1 1 18 8392 1 1 11 HIS NE2 N 3.499 -4.405 0.665 1.00 . A A . 11 HIS NE2 1 1 18 8393 1 1 11 HIS O O 1.525 -7.024 4.494 1.00 . A A . 11 HIS O 1 1 18 8394 1 1 12 GLN C C 2.048 -3.374 5.597 1.00 . A A . 12 GLN C 1 1 18 8395 1 1 12 GLN CA C 2.034 -4.783 6.178 1.00 . A A . 12 GLN CA 1 1 18 8396 1 1 12 GLN CB C 2.289 -4.785 7.697 1.00 . A A . 12 GLN CB 1 1 18 8397 1 1 12 GLN CD C 0.649 -5.809 9.326 1.00 . A A . 12 GLN CD 1 1 18 8398 1 1 12 GLN CG C 1.009 -4.571 8.523 1.00 . A A . 12 GLN CG 1 1 18 8399 1 1 12 GLN H H 3.977 -5.457 5.652 1.00 . A A . 12 GLN H 1 1 18 8400 1 1 12 GLN HA H 1.028 -5.122 5.974 1.00 . A A . 12 GLN HA 1 1 18 8401 1 1 12 GLN HB2 H 2.746 -5.734 7.988 1.00 . A A . 12 GLN HB2 1 1 18 8402 1 1 12 GLN HB3 H 3.001 -3.997 7.940 1.00 . A A . 12 GLN HB3 1 1 18 8403 1 1 12 GLN HE21 H 0.039 -6.797 7.683 1.00 . A A . 12 GLN HE21 1 1 18 8404 1 1 12 GLN HE22 H 0.021 -7.694 9.207 1.00 . A A . 12 GLN HE22 1 1 18 8405 1 1 12 GLN HG2 H 1.162 -3.750 9.215 1.00 . A A . 12 GLN HG2 1 1 18 8406 1 1 12 GLN HG3 H 0.163 -4.316 7.888 1.00 . A A . 12 GLN HG3 1 1 18 8407 1 1 12 GLN N N 2.996 -5.668 5.518 1.00 . A A . 12 GLN N 1 1 18 8408 1 1 12 GLN NE2 N 0.235 -6.863 8.672 1.00 . A A . 12 GLN NE2 1 1 18 8409 1 1 12 GLN O O 2.883 -3.034 4.763 1.00 . A A . 12 GLN O 1 1 18 8410 1 1 12 GLN OE1 O 0.735 -5.833 10.547 1.00 . A A . 12 GLN OE1 1 1 18 8411 1 1 13 MET C C 2.213 -0.351 5.537 1.00 . A A . 13 MET C 1 1 18 8412 1 1 13 MET CA C 0.925 -1.173 5.546 1.00 . A A . 13 MET CA 1 1 18 8413 1 1 13 MET CB C -0.109 -0.409 6.380 1.00 . A A . 13 MET CB 1 1 18 8414 1 1 13 MET CE C -1.062 -1.542 9.512 1.00 . A A . 13 MET CE 1 1 18 8415 1 1 13 MET CG C -1.402 -1.086 6.795 1.00 . A A . 13 MET CG 1 1 18 8416 1 1 13 MET H H 0.476 -2.868 6.753 1.00 . A A . 13 MET H 1 1 18 8417 1 1 13 MET HA H 0.573 -1.216 4.516 1.00 . A A . 13 MET HA 1 1 18 8418 1 1 13 MET HB2 H 0.377 -0.037 7.284 1.00 . A A . 13 MET HB2 1 1 18 8419 1 1 13 MET HB3 H -0.414 0.413 5.741 1.00 . A A . 13 MET HB3 1 1 18 8420 1 1 13 MET HE1 H -1.288 -1.288 10.543 1.00 . A A . 13 MET HE1 1 1 18 8421 1 1 13 MET HE2 H -1.272 -2.597 9.359 1.00 . A A . 13 MET HE2 1 1 18 8422 1 1 13 MET HE3 H -0.010 -1.348 9.329 1.00 . A A . 13 MET HE3 1 1 18 8423 1 1 13 MET HG2 H -2.125 -0.899 6.019 1.00 . A A . 13 MET HG2 1 1 18 8424 1 1 13 MET HG3 H -1.274 -2.145 6.819 1.00 . A A . 13 MET HG3 1 1 18 8425 1 1 13 MET N N 1.120 -2.529 6.057 1.00 . A A . 13 MET N 1 1 18 8426 1 1 13 MET O O 2.404 0.421 4.605 1.00 . A A . 13 MET O 1 1 18 8427 1 1 13 MET SD S -2.079 -0.544 8.386 1.00 . A A . 13 MET SD 1 1 18 8428 1 1 14 LYS C C 5.359 -0.159 5.525 1.00 . A A . 14 LYS C 1 1 18 8429 1 1 14 LYS CA C 4.383 0.158 6.659 1.00 . A A . 14 LYS CA 1 1 18 8430 1 1 14 LYS CB C 5.006 -0.177 8.029 1.00 . A A . 14 LYS CB 1 1 18 8431 1 1 14 LYS CD C 4.306 1.994 9.285 1.00 . A A . 14 LYS CD 1 1 18 8432 1 1 14 LYS CE C 3.127 2.620 10.033 1.00 . A A . 14 LYS CE 1 1 18 8433 1 1 14 LYS CG C 4.246 0.453 9.214 1.00 . A A . 14 LYS CG 1 1 18 8434 1 1 14 LYS H H 2.855 -1.204 7.255 1.00 . A A . 14 LYS H 1 1 18 8435 1 1 14 LYS HA H 4.215 1.224 6.574 1.00 . A A . 14 LYS HA 1 1 18 8436 1 1 14 LYS HB2 H 5.005 -1.264 8.155 1.00 . A A . 14 LYS HB2 1 1 18 8437 1 1 14 LYS HB3 H 6.050 0.131 8.032 1.00 . A A . 14 LYS HB3 1 1 18 8438 1 1 14 LYS HD2 H 5.219 2.287 9.789 1.00 . A A . 14 LYS HD2 1 1 18 8439 1 1 14 LYS HD3 H 4.355 2.429 8.290 1.00 . A A . 14 LYS HD3 1 1 18 8440 1 1 14 LYS HE2 H 3.089 2.239 11.057 1.00 . A A . 14 LYS HE2 1 1 18 8441 1 1 14 LYS HE3 H 3.284 3.701 10.076 1.00 . A A . 14 LYS HE3 1 1 18 8442 1 1 14 LYS HG2 H 3.210 0.129 9.149 1.00 . A A . 14 LYS HG2 1 1 18 8443 1 1 14 LYS HG3 H 4.649 0.048 10.142 1.00 . A A . 14 LYS HG3 1 1 18 8444 1 1 14 LYS HZ1 H 1.117 2.980 9.618 1.00 . A A . 14 LYS HZ1 1 1 18 8445 1 1 14 LYS HZ2 H 1.524 1.413 9.518 1.00 . A A . 14 LYS HZ2 1 1 18 8446 1 1 14 LYS HZ3 H 1.974 2.508 8.340 1.00 . A A . 14 LYS HZ3 1 1 18 8447 1 1 14 LYS N N 3.090 -0.534 6.537 1.00 . A A . 14 LYS N 1 1 18 8448 1 1 14 LYS NZ N 1.859 2.346 9.334 1.00 . A A . 14 LYS NZ 1 1 18 8449 1 1 14 LYS O O 6.233 0.651 5.218 1.00 . A A . 14 LYS O 1 1 18 8450 1 1 15 ASP C C 5.236 -1.605 2.394 1.00 . A A . 15 ASP C 1 1 18 8451 1 1 15 ASP CA C 5.987 -1.753 3.736 1.00 . A A . 15 ASP CA 1 1 18 8452 1 1 15 ASP CB C 6.495 -3.170 4.025 1.00 . A A . 15 ASP CB 1 1 18 8453 1 1 15 ASP CG C 7.946 -3.186 4.507 1.00 . A A . 15 ASP CG 1 1 18 8454 1 1 15 ASP H H 4.440 -1.930 5.188 1.00 . A A . 15 ASP H 1 1 18 8455 1 1 15 ASP HA H 6.868 -1.136 3.643 1.00 . A A . 15 ASP HA 1 1 18 8456 1 1 15 ASP HB2 H 5.870 -3.605 4.807 1.00 . A A . 15 ASP HB2 1 1 18 8457 1 1 15 ASP HB3 H 6.423 -3.766 3.118 1.00 . A A . 15 ASP HB3 1 1 18 8458 1 1 15 ASP N N 5.190 -1.313 4.884 1.00 . A A . 15 ASP N 1 1 18 8459 1 1 15 ASP O O 5.869 -1.363 1.358 1.00 . A A . 15 ASP O 1 1 18 8460 1 1 15 ASP OD1 O 8.376 -2.282 5.263 1.00 . A A . 15 ASP OD1 1 1 18 8461 1 1 15 ASP OD2 O 8.696 -4.123 4.145 1.00 . A A . 15 ASP OD2 1 1 18 8462 1 1 16 CYS C C 2.887 0.030 0.937 1.00 . A A . 16 CYS C 1 1 18 8463 1 1 16 CYS CA C 2.984 -1.453 1.318 1.00 . A A . 16 CYS CA 1 1 18 8464 1 1 16 CYS CB C 1.630 -2.093 1.685 1.00 . A A . 16 CYS CB 1 1 18 8465 1 1 16 CYS H H 3.478 -1.913 3.322 1.00 . A A . 16 CYS H 1 1 18 8466 1 1 16 CYS HA H 3.372 -1.984 0.462 1.00 . A A . 16 CYS HA 1 1 18 8467 1 1 16 CYS HB2 H 1.770 -3.089 2.059 1.00 . A A . 16 CYS HB2 1 1 18 8468 1 1 16 CYS HB3 H 1.237 -1.609 2.551 1.00 . A A . 16 CYS HB3 1 1 18 8469 1 1 16 CYS N N 3.899 -1.658 2.439 1.00 . A A . 16 CYS N 1 1 18 8470 1 1 16 CYS O O 3.443 0.465 -0.072 1.00 . A A . 16 CYS O 1 1 18 8471 1 1 16 CYS SG S 0.449 -2.133 0.317 1.00 . A A . 16 CYS SG 1 1 18 8472 1 1 17 THR C C 0.978 2.514 0.412 1.00 . A A . 17 THR C 1 1 18 8473 1 1 17 THR CA C 1.848 2.216 1.639 1.00 . A A . 17 THR CA 1 1 18 8474 1 1 17 THR CB C 3.043 3.198 1.737 1.00 . A A . 17 THR CB 1 1 18 8475 1 1 17 THR CG2 C 3.947 2.878 2.912 1.00 . A A . 17 THR CG2 1 1 18 8476 1 1 17 THR H H 1.997 0.371 2.685 1.00 . A A . 17 THR H 1 1 18 8477 1 1 17 THR HA H 1.201 2.440 2.490 1.00 . A A . 17 THR HA 1 1 18 8478 1 1 17 THR HB H 2.656 4.210 1.863 1.00 . A A . 17 THR HB 1 1 18 8479 1 1 17 THR HG1 H 4.778 2.929 1.001 1.00 . A A . 17 THR HG1 1 1 18 8480 1 1 17 THR HG21 H 4.470 1.943 2.721 1.00 . A A . 17 THR HG21 1 1 18 8481 1 1 17 THR HG22 H 3.336 2.767 3.802 1.00 . A A . 17 THR HG22 1 1 18 8482 1 1 17 THR HG23 H 4.659 3.688 3.054 1.00 . A A . 17 THR HG23 1 1 18 8483 1 1 17 THR N N 2.240 0.808 1.805 1.00 . A A . 17 THR N 1 1 18 8484 1 1 17 THR O O 0.815 3.680 0.087 1.00 . A A . 17 THR O 1 1 18 8485 1 1 17 THR OG1 O 3.923 3.178 0.634 1.00 . A A . 17 THR OG1 1 1 18 8486 1 1 18 GLU C C -1.326 2.470 -1.993 1.00 . A A . 18 GLU C 1 1 18 8487 1 1 18 GLU CA C 0.005 1.749 -1.691 1.00 . A A . 18 GLU CA 1 1 18 8488 1 1 18 GLU CB C 0.099 0.437 -2.495 1.00 . A A . 18 GLU CB 1 1 18 8489 1 1 18 GLU CD C 2.458 0.779 -3.411 1.00 . A A . 18 GLU CD 1 1 18 8490 1 1 18 GLU CG C 1.498 -0.149 -2.654 1.00 . A A . 18 GLU CG 1 1 18 8491 1 1 18 GLU H H 0.492 0.574 0.030 1.00 . A A . 18 GLU H 1 1 18 8492 1 1 18 GLU HA H 0.767 2.439 -2.049 1.00 . A A . 18 GLU HA 1 1 18 8493 1 1 18 GLU HB2 H -0.530 -0.300 -2.003 1.00 . A A . 18 GLU HB2 1 1 18 8494 1 1 18 GLU HB3 H -0.291 0.599 -3.494 1.00 . A A . 18 GLU HB3 1 1 18 8495 1 1 18 GLU HG2 H 1.862 -0.349 -1.654 1.00 . A A . 18 GLU HG2 1 1 18 8496 1 1 18 GLU HG3 H 1.415 -1.103 -3.180 1.00 . A A . 18 GLU HG3 1 1 18 8497 1 1 18 GLU N N 0.384 1.534 -0.281 1.00 . A A . 18 GLU N 1 1 18 8498 1 1 18 GLU O O -1.770 2.466 -3.150 1.00 . A A . 18 GLU O 1 1 18 8499 1 1 18 GLU OE1 O 2.793 1.876 -2.911 1.00 . A A . 18 GLU OE1 1 1 18 8500 1 1 18 GLU OE2 O 2.949 0.433 -4.512 1.00 . A A . 18 GLU OE2 1 1 18 8501 1 1 19 ARG C C -4.351 2.786 -1.537 1.00 . A A . 19 ARG C 1 1 18 8502 1 1 19 ARG CA C -3.258 3.775 -1.100 1.00 . A A . 19 ARG CA 1 1 18 8503 1 1 19 ARG CB C -3.141 5.027 -1.996 1.00 . A A . 19 ARG CB 1 1 18 8504 1 1 19 ARG CD C -4.848 6.404 -3.363 1.00 . A A . 19 ARG CD 1 1 18 8505 1 1 19 ARG CG C -4.390 5.923 -1.978 1.00 . A A . 19 ARG CG 1 1 18 8506 1 1 19 ARG CZ C -5.103 5.371 -5.600 1.00 . A A . 19 ARG CZ 1 1 18 8507 1 1 19 ARG H H -1.538 3.110 -0.096 1.00 . A A . 19 ARG H 1 1 18 8508 1 1 19 ARG HA H -3.477 4.059 -0.073 1.00 . A A . 19 ARG HA 1 1 18 8509 1 1 19 ARG HB2 H -2.282 5.625 -1.683 1.00 . A A . 19 ARG HB2 1 1 18 8510 1 1 19 ARG HB3 H -2.938 4.693 -3.015 1.00 . A A . 19 ARG HB3 1 1 18 8511 1 1 19 ARG HD2 H -5.773 6.974 -3.265 1.00 . A A . 19 ARG HD2 1 1 18 8512 1 1 19 ARG HD3 H -4.082 7.057 -3.774 1.00 . A A . 19 ARG HD3 1 1 18 8513 1 1 19 ARG HE H -5.064 4.354 -3.879 1.00 . A A . 19 ARG HE 1 1 18 8514 1 1 19 ARG HG2 H -5.220 5.408 -1.494 1.00 . A A . 19 ARG HG2 1 1 18 8515 1 1 19 ARG HG3 H -4.142 6.792 -1.380 1.00 . A A . 19 ARG HG3 1 1 18 8516 1 1 19 ARG HH11 H -5.392 7.348 -5.699 1.00 . A A . 19 ARG HH11 1 1 18 8517 1 1 19 ARG HH12 H -5.226 6.491 -7.235 1.00 . A A . 19 ARG HH12 1 1 18 8518 1 1 19 ARG HH21 H -4.780 3.420 -5.915 1.00 . A A . 19 ARG HH21 1 1 18 8519 1 1 19 ARG HH22 H -4.938 4.423 -7.342 1.00 . A A . 19 ARG HH22 1 1 18 8520 1 1 19 ARG N N -1.941 3.141 -1.013 1.00 . A A . 19 ARG N 1 1 18 8521 1 1 19 ARG NE N -5.071 5.287 -4.287 1.00 . A A . 19 ARG NE 1 1 18 8522 1 1 19 ARG NH1 N -5.231 6.498 -6.224 1.00 . A A . 19 ARG NH1 1 1 18 8523 1 1 19 ARG NH2 N -4.985 4.320 -6.344 1.00 . A A . 19 ARG NH2 1 1 18 8524 1 1 19 ARG O O -5.096 3.068 -2.511 1.00 . A A . 19 ARG O 1 1 18 8525 1 1 19 ARG OXT O -4.394 1.682 -0.971 1.00 . A A . 19 ARG OXT 1 1 18 8526 2 2 1 DT C1' C 10.150 4.082 -0.495 1.00 . B B . 20 DT C1' 1 1 18 8527 2 2 1 DT C2 C 11.105 4.479 -2.756 1.00 . B B . 20 DT C2 1 1 18 8528 2 2 1 DT C2' C 8.764 4.676 -0.265 1.00 . B B . 20 DT C2' 1 1 18 8529 2 2 1 DT C3' C 8.680 4.685 1.262 1.00 . B B . 20 DT C3' 1 1 18 8530 2 2 1 DT C4 C 10.912 2.832 -4.563 1.00 . B B . 20 DT C4 1 1 18 8531 2 2 1 DT C4' C 9.648 3.558 1.665 1.00 . B B . 20 DT C4' 1 1 18 8532 2 2 1 DT C5 C 10.177 1.983 -3.621 1.00 . B B . 20 DT C5 1 1 18 8533 2 2 1 DT C5' C 9.038 2.473 2.570 1.00 . B B . 20 DT C5' 1 1 18 8534 2 2 1 DT C6 C 9.940 2.399 -2.344 1.00 . B B . 20 DT C6 1 1 18 8535 2 2 1 DT C7 C 9.697 0.610 -4.056 1.00 . B B . 20 DT C7 1 1 18 8536 2 2 1 DT H1' H 10.897 4.837 -0.220 1.00 . B B . 20 DT H1' 1 1 18 8537 2 2 1 DT H2' H 7.995 4.019 -0.676 1.00 . B B . 20 DT H2' 1 1 18 8538 2 2 1 DT H2'' H 8.673 5.683 -0.675 1.00 . B B . 20 DT H2'' 1 1 18 8539 2 2 1 DT H3 H 11.953 4.589 -4.615 1.00 . B B . 20 DT H3 1 1 18 8540 2 2 1 DT H3' H 7.655 4.490 1.593 1.00 . B B . 20 DT H3' 1 1 18 8541 2 2 1 DT H4' H 10.464 4.017 2.227 1.00 . B B . 20 DT H4' 1 1 18 8542 2 2 1 DT H5' H 9.784 1.689 2.723 1.00 . B B . 20 DT H5' 1 1 18 8543 2 2 1 DT H5'' H 8.843 2.939 3.540 1.00 . B B . 20 DT H5'' 1 1 18 8544 2 2 1 DT H6 H 9.407 1.752 -1.657 1.00 . B B . 20 DT H6 1 1 18 8545 2 2 1 DT H71 H 9.318 0.035 -3.211 1.00 . B B . 20 DT H71 1 1 18 8546 2 2 1 DT H72 H 10.526 0.065 -4.509 1.00 . B B . 20 DT H72 1 1 18 8547 2 2 1 DT H73 H 8.913 0.714 -4.806 1.00 . B B . 20 DT H73 1 1 18 8548 2 2 1 DT HO5' H 7.453 1.392 2.830 1.00 . B B . 20 DT HO5' 1 1 18 8549 2 2 1 DT N1 N 10.387 3.628 -1.900 1.00 . B B . 20 DT N1 1 1 18 8550 2 2 1 DT N3 N 11.353 4.029 -4.035 1.00 . B B . 20 DT N3 1 1 18 8551 2 2 1 DT O2 O 11.516 5.587 -2.410 1.00 . B B . 20 DT O2 1 1 18 8552 2 2 1 DT O3' O 9.157 5.933 1.748 1.00 . B B . 20 DT O3' 1 1 18 8553 2 2 1 DT O4 O 11.154 2.572 -5.742 1.00 . B B . 20 DT O4 1 1 18 8554 2 2 1 DT O4' O 10.198 3.030 0.456 1.00 . B B . 20 DT O4' 1 1 18 8555 2 2 1 DT O5' O 7.828 1.895 2.092 1.00 . B B . 20 DT O5' 1 1 18 8556 2 2 2 DA C1' C 5.139 7.223 -0.892 1.00 . B B . 21 DA C1' 1 1 18 8557 2 2 2 DA C2 C 8.183 6.254 -3.943 1.00 . B B . 21 DA C2 1 1 18 8558 2 2 2 DA C2' C 4.104 6.999 0.226 1.00 . B B . 21 DA C2' 1 1 18 8559 2 2 2 DA C3' C 4.682 7.742 1.428 1.00 . B B . 21 DA C3' 1 1 18 8560 2 2 2 DA C4 C 6.377 5.855 -2.678 1.00 . B B . 21 DA C4 1 1 18 8561 2 2 2 DA C4' C 5.986 8.355 0.904 1.00 . B B . 21 DA C4' 1 1 18 8562 2 2 2 DA C5 C 6.204 4.600 -3.197 1.00 . B B . 21 DA C5 1 1 18 8563 2 2 2 DA C5' C 7.126 8.403 1.927 1.00 . B B . 21 DA C5' 1 1 18 8564 2 2 2 DA C6 C 7.162 4.235 -4.175 1.00 . B B . 21 DA C6 1 1 18 8565 2 2 2 DA C8 C 4.609 4.883 -1.832 1.00 . B B . 21 DA C8 1 1 18 8566 2 2 2 DA H1' H 4.816 8.071 -1.505 1.00 . B B . 21 DA H1' 1 1 18 8567 2 2 2 DA H2 H 8.987 6.909 -4.252 1.00 . B B . 21 DA H2 1 1 18 8568 2 2 2 DA H2' H 4.022 5.952 0.501 1.00 . B B . 21 DA H2' 1 1 18 8569 2 2 2 DA H2'' H 3.127 7.380 -0.069 1.00 . B B . 21 DA H2'' 1 1 18 8570 2 2 2 DA H3' H 4.926 6.986 2.175 1.00 . B B . 21 DA H3' 1 1 18 8571 2 2 2 DA H4' H 5.797 9.370 0.561 1.00 . B B . 21 DA H4' 1 1 18 8572 2 2 2 DA H5' H 8.061 8.573 1.386 1.00 . B B . 21 DA H5' 1 1 18 8573 2 2 2 DA H5'' H 6.959 9.245 2.600 1.00 . B B . 21 DA H5'' 1 1 18 8574 2 2 2 DA H61 H 7.938 2.889 -5.451 1.00 . B B . 21 DA H61 1 1 18 8575 2 2 2 DA H62 H 6.518 2.359 -4.549 1.00 . B B . 21 DA H62 1 1 18 8576 2 2 2 DA H8 H 3.716 4.730 -1.238 1.00 . B B . 21 DA H8 1 1 18 8577 2 2 2 DA N1 N 8.140 5.068 -4.537 1.00 . B B . 21 DA N1 1 1 18 8578 2 2 2 DA N3 N 7.371 6.733 -3.008 1.00 . B B . 21 DA N3 1 1 18 8579 2 2 2 DA N6 N 7.196 3.074 -4.803 1.00 . B B . 21 DA N6 1 1 18 8580 2 2 2 DA N7 N 5.089 3.971 -2.631 1.00 . B B . 21 DA N7 1 1 18 8581 2 2 2 DA N9 N 5.361 6.034 -1.756 1.00 . B B . 21 DA N9 1 1 18 8582 2 2 2 DA O3' O 3.814 8.678 2.046 1.00 . B B . 21 DA O3' 1 1 18 8583 2 2 2 DA O4' O 6.337 7.564 -0.217 1.00 . B B . 21 DA O4' 1 1 18 8584 2 2 2 DA O5' O 7.210 7.208 2.694 1.00 . B B . 21 DA O5' 1 1 18 8585 2 2 2 DA OP1 O 9.505 7.677 3.492 1.00 . B B . 21 DA OP1 1 1 18 8586 2 2 2 DA OP2 O 8.315 5.516 4.095 1.00 . B B . 21 DA OP2 1 1 18 8587 2 2 2 DA P P 8.605 6.566 3.107 1.00 . B B . 21 DA P 1 1 18 8588 2 2 3 DC C1' C -1.466 7.893 0.212 1.00 . B B . 22 DC C1' 1 1 18 8589 2 2 3 DC C2 C -0.447 8.438 -2.036 1.00 . B B . 22 DC C2 1 1 18 8590 2 2 3 DC C2' C -1.215 7.316 1.631 1.00 . B B . 22 DC C2' 1 1 18 8591 2 2 3 DC C3' C -0.867 8.516 2.520 1.00 . B B . 22 DC C3' 1 1 18 8592 2 2 3 DC C4 C 1.245 7.184 -2.941 1.00 . B B . 22 DC C4 1 1 18 8593 2 2 3 DC C4' C -0.906 9.702 1.561 1.00 . B B . 22 DC C4' 1 1 18 8594 2 2 3 DC C5 C 1.169 6.243 -1.887 1.00 . B B . 22 DC C5 1 1 18 8595 2 2 3 DC C5' C 0.465 10.304 1.220 1.00 . B B . 22 DC C5' 1 1 18 8596 2 2 3 DC C6 C 0.319 6.515 -0.868 1.00 . B B . 22 DC C6 1 1 18 8597 2 2 3 DC H1' H -2.417 7.503 -0.150 1.00 . B B . 22 DC H1' 1 1 18 8598 2 2 3 DC H2' H -0.425 6.563 1.688 1.00 . B B . 22 DC H2' 1 1 18 8599 2 2 3 DC H2'' H -2.122 6.846 1.995 1.00 . B B . 22 DC H2'' 1 1 18 8600 2 2 3 DC H3' H 0.130 8.392 2.939 1.00 . B B . 22 DC H3' 1 1 18 8601 2 2 3 DC H4' H -1.487 10.497 2.022 1.00 . B B . 22 DC H4' 1 1 18 8602 2 2 3 DC H41 H 2.049 7.652 -4.701 1.00 . B B . 22 DC H41 1 1 18 8603 2 2 3 DC H42 H 2.508 6.087 -4.023 1.00 . B B . 22 DC H42 1 1 18 8604 2 2 3 DC H5 H 1.734 5.329 -1.881 1.00 . B B . 22 DC H5 1 1 18 8605 2 2 3 DC H5' H 0.405 10.801 0.254 1.00 . B B . 22 DC H5' 1 1 18 8606 2 2 3 DC H5'' H 0.664 11.069 1.969 1.00 . B B . 22 DC H5'' 1 1 18 8607 2 2 3 DC H6 H 0.214 5.815 -0.060 1.00 . B B . 22 DC H6 1 1 18 8608 2 2 3 DC N1 N -0.448 7.649 -0.868 1.00 . B B . 22 DC N1 1 1 18 8609 2 2 3 DC N3 N 0.439 8.214 -3.040 1.00 . B B . 22 DC N3 1 1 18 8610 2 2 3 DC N4 N 2.029 6.969 -3.955 1.00 . B B . 22 DC N4 1 1 18 8611 2 2 3 DC O2 O -1.282 9.316 -2.258 1.00 . B B . 22 DC O2 1 1 18 8612 2 2 3 DC O3' O -1.835 8.755 3.531 1.00 . B B . 22 DC O3' 1 1 18 8613 2 2 3 DC O4' O -1.626 9.280 0.421 1.00 . B B . 22 DC O4' 1 1 18 8614 2 2 3 DC O5' O 1.540 9.375 1.214 1.00 . B B . 22 DC O5' 1 1 18 8615 2 2 3 DC OP1 O 3.555 10.082 -0.059 1.00 . B B . 22 DC OP1 1 1 18 8616 2 2 3 DC OP2 O 3.111 10.993 2.283 1.00 . B B . 22 DC OP2 1 1 18 8617 2 2 3 DC P P 3.051 9.876 1.315 1.00 . B B . 22 DC P 1 1 18 8618 2 2 4 DG C1' C -0.738 3.569 4.739 1.00 . B B . 23 DG C1' 1 1 18 8619 2 2 4 DG C2 C 2.477 6.746 4.794 1.00 . B B . 23 DG C2 1 1 18 8620 2 2 4 DG C2' C -1.733 2.922 5.726 1.00 . B B . 23 DG C2' 1 1 18 8621 2 2 4 DG C3' C -2.791 4.000 5.967 1.00 . B B . 23 DG C3' 1 1 18 8622 2 2 4 DG C4 C 1.527 4.772 5.310 1.00 . B B . 23 DG C4 1 1 18 8623 2 2 4 DG C4' C -2.595 4.964 4.794 1.00 . B B . 23 DG C4' 1 1 18 8624 2 2 4 DG C5 C 2.669 4.315 5.942 1.00 . B B . 23 DG C5 1 1 18 8625 2 2 4 DG C5' C -2.847 6.443 5.130 1.00 . B B . 23 DG C5' 1 1 18 8626 2 2 4 DG C6 C 3.852 5.125 5.905 1.00 . B B . 23 DG C6 1 1 18 8627 2 2 4 DG C8 C 1.257 2.771 6.102 1.00 . B B . 23 DG C8 1 1 18 8628 2 2 4 DG H1 H 4.450 6.975 5.323 1.00 . B B . 23 DG H1 1 1 18 8629 2 2 4 DG H1' H -0.664 2.929 3.858 1.00 . B B . 23 DG H1' 1 1 18 8630 2 2 4 DG H2' H -1.276 2.692 6.685 1.00 . B B . 23 DG H2' 1 1 18 8631 2 2 4 DG H2'' H -2.117 1.970 5.330 1.00 . B B . 23 DG H2'' 1 1 18 8632 2 2 4 DG H21 H 3.177 8.466 4.021 1.00 . B B . 23 DG H21 1 1 18 8633 2 2 4 DG H22 H 1.436 8.286 4.181 1.00 . B B . 23 DG H22 1 1 18 8634 2 2 4 DG H3' H -2.558 4.513 6.899 1.00 . B B . 23 DG H3' 1 1 18 8635 2 2 4 DG H4' H -3.299 4.668 4.021 1.00 . B B . 23 DG H4' 1 1 18 8636 2 2 4 DG H5' H -3.318 6.904 4.266 1.00 . B B . 23 DG H5' 1 1 18 8637 2 2 4 DG H5'' H -3.543 6.543 5.960 1.00 . B B . 23 DG H5'' 1 1 18 8638 2 2 4 DG H8 H 0.797 1.837 6.333 1.00 . B B . 23 DG H8 1 1 18 8639 2 2 4 DG N1 N 3.672 6.337 5.281 1.00 . B B . 23 DG N1 1 1 18 8640 2 2 4 DG N2 N 2.376 7.983 4.400 1.00 . B B . 23 DG N2 1 1 18 8641 2 2 4 DG N3 N 1.382 5.998 4.728 1.00 . B B . 23 DG N3 1 1 18 8642 2 2 4 DG N7 N 2.461 3.048 6.492 1.00 . B B . 23 DG N7 1 1 18 8643 2 2 4 DG N9 N 0.612 3.728 5.372 1.00 . B B . 23 DG N9 1 1 18 8644 2 2 4 DG O3' O -4.096 3.433 6.008 1.00 . B B . 23 DG O3' 1 1 18 8645 2 2 4 DG O4' O -1.289 4.783 4.283 1.00 . B B . 23 DG O4' 1 1 18 8646 2 2 4 DG O5' O -1.648 7.134 5.430 1.00 . B B . 23 DG O5' 1 1 18 8647 2 2 4 DG O6 O 4.982 4.861 6.314 1.00 . B B . 23 DG O6 1 1 18 8648 2 2 4 DG OP1 O -2.532 9.422 5.804 1.00 . B B . 23 DG OP1 1 1 18 8649 2 2 4 DG OP2 O -0.090 9.058 5.286 1.00 . B B . 23 DG OP2 1 1 18 8650 2 2 4 DG P P -1.489 8.667 5.079 1.00 . B B . 23 DG P 1 1 18 8651 2 2 5 DC C1' C -5.913 7.014 1.231 1.00 . B B . 24 DC C1' 1 1 18 8652 2 2 5 DC C2 C -4.853 9.310 1.402 1.00 . B B . 24 DC C2 1 1 18 8653 2 2 5 DC C2' C -4.811 6.079 1.660 1.00 . B B . 24 DC C2' 1 1 18 8654 2 2 5 DC C3' C -5.710 4.955 2.175 1.00 . B B . 24 DC C3' 1 1 18 8655 2 2 5 DC C4 C -4.609 10.635 -0.457 1.00 . B B . 24 DC C4 1 1 18 8656 2 2 5 DC C4' C -6.831 5.753 2.889 1.00 . B B . 24 DC C4' 1 1 18 8657 2 2 5 DC C5 C -5.358 9.733 -1.260 1.00 . B B . 24 DC C5 1 1 18 8658 2 2 5 DC C5' C -6.873 5.521 4.420 1.00 . B B . 24 DC C5' 1 1 18 8659 2 2 5 DC C6 C -5.810 8.600 -0.670 1.00 . B B . 24 DC C6 1 1 18 8660 2 2 5 DC H1' H -6.406 6.414 0.462 1.00 . B B . 24 DC H1' 1 1 18 8661 2 2 5 DC H2' H -4.239 6.515 2.469 1.00 . B B . 24 DC H2' 1 1 18 8662 2 2 5 DC H2'' H -4.180 5.773 0.834 1.00 . B B . 24 DC H2'' 1 1 18 8663 2 2 5 DC H3' H -5.147 4.373 2.886 1.00 . B B . 24 DC H3' 1 1 18 8664 2 2 5 DC H4' H -7.806 5.450 2.522 1.00 . B B . 24 DC H4' 1 1 18 8665 2 2 5 DC H41 H -3.452 12.235 -0.412 1.00 . B B . 24 DC H41 1 1 18 8666 2 2 5 DC H42 H -4.139 11.820 -1.996 1.00 . B B . 24 DC H42 1 1 18 8667 2 2 5 DC H5 H -5.558 9.926 -2.302 1.00 . B B . 24 DC H5 1 1 18 8668 2 2 5 DC H5' H -7.320 6.383 4.915 1.00 . B B . 24 DC H5' 1 1 18 8669 2 2 5 DC H5'' H -7.538 4.672 4.586 1.00 . B B . 24 DC H5'' 1 1 18 8670 2 2 5 DC H6 H -6.388 7.889 -1.245 1.00 . B B . 24 DC H6 1 1 18 8671 2 2 5 DC N1 N -5.514 8.333 0.644 1.00 . B B . 24 DC N1 1 1 18 8672 2 2 5 DC N3 N -4.408 10.457 0.833 1.00 . B B . 24 DC N3 1 1 18 8673 2 2 5 DC N4 N -4.073 11.692 -0.990 1.00 . B B . 24 DC N4 1 1 18 8674 2 2 5 DC O2 O -4.664 9.180 2.606 1.00 . B B . 24 DC O2 1 1 18 8675 2 2 5 DC O3' O -6.142 4.126 1.083 1.00 . B B . 24 DC O3' 1 1 18 8676 2 2 5 DC O4' O -6.667 7.093 2.440 1.00 . B B . 24 DC O4' 1 1 18 8677 2 2 5 DC O5' O -5.599 5.222 4.996 1.00 . B B . 24 DC O5' 1 1 18 8678 2 2 5 DC OP1 O -5.086 5.215 7.447 1.00 . B B . 24 DC OP1 1 1 18 8679 2 2 5 DC OP2 O -6.530 3.369 6.450 1.00 . B B . 24 DC OP2 1 1 18 8680 2 2 5 DC P P -5.398 4.314 6.313 1.00 . B B . 24 DC P 1 1 18 8681 2 2 6 DC C1' C -10.178 7.300 -1.484 1.00 . B B . 25 DC C1' 1 1 18 8682 2 2 6 DC C2 C -10.002 9.776 -1.134 1.00 . B B . 25 DC C2 1 1 18 8683 2 2 6 DC C2' C -9.076 6.914 -2.488 1.00 . B B . 25 DC C2' 1 1 18 8684 2 2 6 DC C3' C -8.537 5.588 -1.967 1.00 . B B . 25 DC C3' 1 1 18 8685 2 2 6 DC C4 C -8.762 10.667 0.586 1.00 . B B . 25 DC C4 1 1 18 8686 2 2 6 DC C4' C -9.804 5.023 -1.323 1.00 . B B . 25 DC C4' 1 1 18 8687 2 2 6 DC C5 C -8.531 9.388 1.145 1.00 . B B . 25 DC C5 1 1 18 8688 2 2 6 DC C5' C -9.495 3.851 -0.382 1.00 . B B . 25 DC C5' 1 1 18 8689 2 2 6 DC C6 C -9.023 8.310 0.489 1.00 . B B . 25 DC C6 1 1 18 8690 2 2 6 DC H1' H -11.093 7.555 -2.032 1.00 . B B . 25 DC H1' 1 1 18 8691 2 2 6 DC H2' H -8.288 7.665 -2.533 1.00 . B B . 25 DC H2' 1 1 18 8692 2 2 6 DC H2'' H -9.518 6.784 -3.477 1.00 . B B . 25 DC H2'' 1 1 18 8693 2 2 6 DC H3' H -7.782 5.770 -1.202 1.00 . B B . 25 DC H3' 1 1 18 8694 2 2 6 DC H4' H -10.474 4.670 -2.107 1.00 . B B . 25 DC H4' 1 1 18 8695 2 2 6 DC H41 H -8.437 12.638 0.755 1.00 . B B . 25 DC H41 1 1 18 8696 2 2 6 DC H42 H -7.825 11.627 2.062 1.00 . B B . 25 DC H42 1 1 18 8697 2 2 6 DC H5 H -7.978 9.261 2.063 1.00 . B B . 25 DC H5 1 1 18 8698 2 2 6 DC H5' H -10.406 3.518 0.115 1.00 . B B . 25 DC H5' 1 1 18 8699 2 2 6 DC H5'' H -9.127 3.037 -1.006 1.00 . B B . 25 DC H5'' 1 1 18 8700 2 2 6 DC H6 H -8.846 7.310 0.867 1.00 . B B . 25 DC H6 1 1 18 8701 2 2 6 DC HO3' H -7.412 4.125 -2.651 1.00 . B B . 25 DC HO3' 1 1 18 8702 2 2 6 DC N1 N -9.750 8.476 -0.664 1.00 . B B . 25 DC N1 1 1 18 8703 2 2 6 DC N3 N -9.483 10.865 -0.501 1.00 . B B . 25 DC N3 1 1 18 8704 2 2 6 DC N4 N -8.297 11.731 1.170 1.00 . B B . 25 DC N4 1 1 18 8705 2 2 6 DC O2 O -10.675 9.972 -2.149 1.00 . B B . 25 DC O2 1 1 18 8706 2 2 6 DC O3' O -8.017 4.785 -3.015 1.00 . B B . 25 DC O3' 1 1 18 8707 2 2 6 DC O4' O -10.403 6.142 -0.678 1.00 . B B . 25 DC O4' 1 1 18 8708 2 2 6 DC O5' O -8.512 4.216 0.579 1.00 . B B . 25 DC O5' 1 1 18 8709 2 2 6 DC OP1 O -7.785 2.955 2.597 1.00 . B B . 25 DC OP1 1 1 18 8710 2 2 6 DC OP2 O -7.353 2.008 0.284 1.00 . B B . 25 DC OP2 1 1 18 8711 2 2 6 DC P P -7.445 3.178 1.178 1.00 . B B . 25 DC P 1 1 18 8712 3 3 1 ZN ZN ZN 0.151 -3.944 -0.339 1.00 . C A . 26 ZN ZN 1 1 19 8713 1 1 1 LYS C C -3.599 -10.907 6.149 1.00 . A A . 1 LYS C 1 1 19 8714 1 1 1 LYS CA C -4.943 -11.151 6.840 1.00 . A A . 1 LYS CA 1 1 19 8715 1 1 1 LYS CB C -5.602 -12.458 6.360 1.00 . A A . 1 LYS CB 1 1 19 8716 1 1 1 LYS CD C -8.128 -12.353 6.823 1.00 . A A . 1 LYS CD 1 1 19 8717 1 1 1 LYS CE C -9.282 -13.014 7.586 1.00 . A A . 1 LYS CE 1 1 19 8718 1 1 1 LYS CG C -6.778 -12.974 7.213 1.00 . A A . 1 LYS CG 1 1 19 8719 1 1 1 LYS H1 H -5.322 -9.123 6.931 1.00 . A A . 1 LYS H1 1 1 19 8720 1 1 1 LYS H2 H -6.590 -10.027 7.397 1.00 . A A . 1 LYS H2 1 1 19 8721 1 1 1 LYS H3 H -6.218 -9.889 5.800 1.00 . A A . 1 LYS H3 1 1 19 8722 1 1 1 LYS HA H -4.709 -11.279 7.900 1.00 . A A . 1 LYS HA 1 1 19 8723 1 1 1 LYS HB2 H -5.939 -12.349 5.331 1.00 . A A . 1 LYS HB2 1 1 19 8724 1 1 1 LYS HB3 H -4.839 -13.237 6.374 1.00 . A A . 1 LYS HB3 1 1 19 8725 1 1 1 LYS HD2 H -8.134 -11.290 7.050 1.00 . A A . 1 LYS HD2 1 1 19 8726 1 1 1 LYS HD3 H -8.285 -12.484 5.753 1.00 . A A . 1 LYS HD3 1 1 19 8727 1 1 1 LYS HE2 H -9.197 -14.103 7.513 1.00 . A A . 1 LYS HE2 1 1 19 8728 1 1 1 LYS HE3 H -9.193 -12.755 8.647 1.00 . A A . 1 LYS HE3 1 1 19 8729 1 1 1 LYS HG2 H -6.854 -14.053 7.060 1.00 . A A . 1 LYS HG2 1 1 19 8730 1 1 1 LYS HG3 H -6.577 -12.801 8.271 1.00 . A A . 1 LYS HG3 1 1 19 8731 1 1 1 LYS HZ1 H -11.315 -12.669 7.779 1.00 . A A . 1 LYS HZ1 1 1 19 8732 1 1 1 LYS HZ2 H -10.905 -13.154 6.284 1.00 . A A . 1 LYS HZ2 1 1 19 8733 1 1 1 LYS HZ3 H -10.587 -11.607 6.743 1.00 . A A . 1 LYS HZ3 1 1 19 8734 1 1 1 LYS N N -5.829 -9.974 6.729 1.00 . A A . 1 LYS N 1 1 19 8735 1 1 1 LYS NZ N -10.600 -12.574 7.062 1.00 . A A . 1 LYS NZ 1 1 19 8736 1 1 1 LYS O O -2.586 -10.882 6.843 1.00 . A A . 1 LYS O 1 1 19 8737 1 1 2 GLY C C -2.110 -8.828 4.117 1.00 . A A . 2 GLY C 1 1 19 8738 1 1 2 GLY CA C -2.344 -10.346 4.080 1.00 . A A . 2 GLY CA 1 1 19 8739 1 1 2 GLY H H -4.396 -10.884 4.284 1.00 . A A . 2 GLY H 1 1 19 8740 1 1 2 GLY HA2 H -1.470 -10.837 4.505 1.00 . A A . 2 GLY HA2 1 1 19 8741 1 1 2 GLY HA3 H -2.435 -10.684 3.049 1.00 . A A . 2 GLY HA3 1 1 19 8742 1 1 2 GLY N N -3.549 -10.739 4.825 1.00 . A A . 2 GLY N 1 1 19 8743 1 1 2 GLY O O -2.121 -8.222 5.187 1.00 . A A . 2 GLY O 1 1 19 8744 1 1 3 CYS C C -3.210 -6.066 3.247 1.00 . A A . 3 CYS C 1 1 19 8745 1 1 3 CYS CA C -1.891 -6.741 2.805 1.00 . A A . 3 CYS CA 1 1 19 8746 1 1 3 CYS CB C -1.588 -6.407 1.338 1.00 . A A . 3 CYS CB 1 1 19 8747 1 1 3 CYS H H -1.838 -8.758 2.126 1.00 . A A . 3 CYS H 1 1 19 8748 1 1 3 CYS HA H -1.063 -6.368 3.408 1.00 . A A . 3 CYS HA 1 1 19 8749 1 1 3 CYS HB2 H -0.926 -7.164 0.912 1.00 . A A . 3 CYS HB2 1 1 19 8750 1 1 3 CYS HB3 H -2.522 -6.437 0.779 1.00 . A A . 3 CYS HB3 1 1 19 8751 1 1 3 CYS N N -1.919 -8.196 2.961 1.00 . A A . 3 CYS N 1 1 19 8752 1 1 3 CYS O O -4.236 -6.700 3.520 1.00 . A A . 3 CYS O 1 1 19 8753 1 1 3 CYS SG S -0.847 -4.745 1.210 1.00 . A A . 3 CYS SG 1 1 19 8754 1 1 4 TRP C C -5.027 -3.650 1.995 1.00 . A A . 4 TRP C 1 1 19 8755 1 1 4 TRP CA C -4.322 -3.835 3.346 1.00 . A A . 4 TRP CA 1 1 19 8756 1 1 4 TRP CB C -3.784 -2.515 3.904 1.00 . A A . 4 TRP CB 1 1 19 8757 1 1 4 TRP CD1 C -5.753 -0.935 3.474 1.00 . A A . 4 TRP CD1 1 1 19 8758 1 1 4 TRP CD2 C -3.739 -0.052 3.045 1.00 . A A . 4 TRP CD2 1 1 19 8759 1 1 4 TRP CE2 C -4.697 0.955 2.742 1.00 . A A . 4 TRP CE2 1 1 19 8760 1 1 4 TRP CE3 C -2.376 0.260 2.876 1.00 . A A . 4 TRP CE3 1 1 19 8761 1 1 4 TRP CG C -4.437 -1.241 3.487 1.00 . A A . 4 TRP CG 1 1 19 8762 1 1 4 TRP CH2 C -2.940 2.536 2.219 1.00 . A A . 4 TRP CH2 1 1 19 8763 1 1 4 TRP CZ2 C -4.309 2.224 2.293 1.00 . A A . 4 TRP CZ2 1 1 19 8764 1 1 4 TRP CZ3 C -1.981 1.544 2.486 1.00 . A A . 4 TRP CZ3 1 1 19 8765 1 1 4 TRP H H -2.292 -4.357 2.915 1.00 . A A . 4 TRP H 1 1 19 8766 1 1 4 TRP HA H -5.053 -4.245 4.046 1.00 . A A . 4 TRP HA 1 1 19 8767 1 1 4 TRP HB2 H -3.774 -2.530 4.985 1.00 . A A . 4 TRP HB2 1 1 19 8768 1 1 4 TRP HB3 H -2.741 -2.428 3.601 1.00 . A A . 4 TRP HB3 1 1 19 8769 1 1 4 TRP HD1 H -6.556 -1.602 3.771 1.00 . A A . 4 TRP HD1 1 1 19 8770 1 1 4 TRP HE1 H -6.818 0.828 2.978 1.00 . A A . 4 TRP HE1 1 1 19 8771 1 1 4 TRP HE3 H -1.627 -0.493 3.061 1.00 . A A . 4 TRP HE3 1 1 19 8772 1 1 4 TRP HH2 H -2.619 3.528 1.943 1.00 . A A . 4 TRP HH2 1 1 19 8773 1 1 4 TRP HZ2 H -5.060 2.938 2.004 1.00 . A A . 4 TRP HZ2 1 1 19 8774 1 1 4 TRP HZ3 H -0.933 1.741 2.390 1.00 . A A . 4 TRP HZ3 1 1 19 8775 1 1 4 TRP N N -3.178 -4.739 3.225 1.00 . A A . 4 TRP N 1 1 19 8776 1 1 4 TRP NE1 N -5.913 0.363 3.017 1.00 . A A . 4 TRP NE1 1 1 19 8777 1 1 4 TRP O O -6.233 -3.887 1.889 1.00 . A A . 4 TRP O 1 1 19 8778 1 1 5 LYS C C -4.397 -3.906 -1.474 1.00 . A A . 5 LYS C 1 1 19 8779 1 1 5 LYS CA C -4.807 -2.920 -0.378 1.00 . A A . 5 LYS CA 1 1 19 8780 1 1 5 LYS CB C -4.466 -1.454 -0.737 1.00 . A A . 5 LYS CB 1 1 19 8781 1 1 5 LYS CD C -2.764 -1.332 -2.689 1.00 . A A . 5 LYS CD 1 1 19 8782 1 1 5 LYS CE C -3.238 -0.056 -3.390 1.00 . A A . 5 LYS CE 1 1 19 8783 1 1 5 LYS CG C -3.005 -1.230 -1.169 1.00 . A A . 5 LYS CG 1 1 19 8784 1 1 5 LYS H H -3.298 -3.065 1.144 1.00 . A A . 5 LYS H 1 1 19 8785 1 1 5 LYS HA H -5.897 -2.976 -0.337 1.00 . A A . 5 LYS HA 1 1 19 8786 1 1 5 LYS HB2 H -5.135 -1.115 -1.531 1.00 . A A . 5 LYS HB2 1 1 19 8787 1 1 5 LYS HB3 H -4.668 -0.831 0.135 1.00 . A A . 5 LYS HB3 1 1 19 8788 1 1 5 LYS HD2 H -1.696 -1.463 -2.860 1.00 . A A . 5 LYS HD2 1 1 19 8789 1 1 5 LYS HD3 H -3.265 -2.194 -3.112 1.00 . A A . 5 LYS HD3 1 1 19 8790 1 1 5 LYS HE2 H -4.332 -0.018 -3.389 1.00 . A A . 5 LYS HE2 1 1 19 8791 1 1 5 LYS HE3 H -2.887 0.802 -2.811 1.00 . A A . 5 LYS HE3 1 1 19 8792 1 1 5 LYS HG2 H -2.695 -0.237 -0.836 1.00 . A A . 5 LYS HG2 1 1 19 8793 1 1 5 LYS HG3 H -2.371 -1.949 -0.659 1.00 . A A . 5 LYS HG3 1 1 19 8794 1 1 5 LYS HZ1 H -2.599 1.026 -5.055 1.00 . A A . 5 LYS HZ1 1 1 19 8795 1 1 5 LYS HZ2 H -3.335 -0.379 -5.463 1.00 . A A . 5 LYS HZ2 1 1 19 8796 1 1 5 LYS HZ3 H -1.820 -0.395 -4.878 1.00 . A A . 5 LYS HZ3 1 1 19 8797 1 1 5 LYS N N -4.275 -3.248 0.957 1.00 . A A . 5 LYS N 1 1 19 8798 1 1 5 LYS NZ N -2.725 0.056 -4.774 1.00 . A A . 5 LYS NZ 1 1 19 8799 1 1 5 LYS O O -5.135 -4.036 -2.451 1.00 . A A . 5 LYS O 1 1 19 8800 1 1 6 CYS C C -3.511 -6.780 -2.509 1.00 . A A . 6 CYS C 1 1 19 8801 1 1 6 CYS CA C -2.719 -5.465 -2.378 1.00 . A A . 6 CYS CA 1 1 19 8802 1 1 6 CYS CB C -1.239 -5.775 -2.108 1.00 . A A . 6 CYS CB 1 1 19 8803 1 1 6 CYS H H -2.672 -4.420 -0.525 1.00 . A A . 6 CYS H 1 1 19 8804 1 1 6 CYS HA H -2.790 -4.938 -3.330 1.00 . A A . 6 CYS HA 1 1 19 8805 1 1 6 CYS HB2 H -1.156 -6.453 -1.255 1.00 . A A . 6 CYS HB2 1 1 19 8806 1 1 6 CYS HB3 H -0.883 -6.295 -2.989 1.00 . A A . 6 CYS HB3 1 1 19 8807 1 1 6 CYS N N -3.253 -4.590 -1.333 1.00 . A A . 6 CYS N 1 1 19 8808 1 1 6 CYS O O -3.714 -7.290 -3.605 1.00 . A A . 6 CYS O 1 1 19 8809 1 1 6 CYS SG S -0.189 -4.320 -1.848 1.00 . A A . 6 CYS SG 1 1 19 8810 1 1 7 GLY C C -4.007 -9.858 -1.211 1.00 . A A . 7 GLY C 1 1 19 8811 1 1 7 GLY CA C -4.767 -8.533 -1.249 1.00 . A A . 7 GLY CA 1 1 19 8812 1 1 7 GLY H H -3.662 -6.872 -0.530 1.00 . A A . 7 GLY H 1 1 19 8813 1 1 7 GLY HA2 H -5.269 -8.434 -0.294 1.00 . A A . 7 GLY HA2 1 1 19 8814 1 1 7 GLY HA3 H -5.494 -8.562 -2.059 1.00 . A A . 7 GLY HA3 1 1 19 8815 1 1 7 GLY N N -3.930 -7.337 -1.373 1.00 . A A . 7 GLY N 1 1 19 8816 1 1 7 GLY O O -4.482 -10.879 -1.719 1.00 . A A . 7 GLY O 1 1 19 8817 1 1 8 LYS C C -0.949 -10.909 0.512 1.00 . A A . 8 LYS C 1 1 19 8818 1 1 8 LYS CA C -1.753 -10.863 -0.780 1.00 . A A . 8 LYS CA 1 1 19 8819 1 1 8 LYS CB C -0.793 -10.545 -1.948 1.00 . A A . 8 LYS CB 1 1 19 8820 1 1 8 LYS CD C -0.531 -9.746 -4.391 1.00 . A A . 8 LYS CD 1 1 19 8821 1 1 8 LYS CE C 0.085 -8.338 -4.409 1.00 . A A . 8 LYS CE 1 1 19 8822 1 1 8 LYS CG C -1.486 -10.051 -3.232 1.00 . A A . 8 LYS CG 1 1 19 8823 1 1 8 LYS H H -2.530 -8.972 -0.195 1.00 . A A . 8 LYS H 1 1 19 8824 1 1 8 LYS HA H -2.220 -11.836 -0.945 1.00 . A A . 8 LYS HA 1 1 19 8825 1 1 8 LYS HB2 H -0.092 -9.784 -1.612 1.00 . A A . 8 LYS HB2 1 1 19 8826 1 1 8 LYS HB3 H -0.222 -11.444 -2.180 1.00 . A A . 8 LYS HB3 1 1 19 8827 1 1 8 LYS HD2 H 0.255 -10.498 -4.423 1.00 . A A . 8 LYS HD2 1 1 19 8828 1 1 8 LYS HD3 H -1.128 -9.829 -5.296 1.00 . A A . 8 LYS HD3 1 1 19 8829 1 1 8 LYS HE2 H 0.711 -8.254 -5.299 1.00 . A A . 8 LYS HE2 1 1 19 8830 1 1 8 LYS HE3 H -0.715 -7.600 -4.512 1.00 . A A . 8 LYS HE3 1 1 19 8831 1 1 8 LYS HG2 H -2.185 -10.820 -3.558 1.00 . A A . 8 LYS HG2 1 1 19 8832 1 1 8 LYS HG3 H -2.044 -9.143 -3.032 1.00 . A A . 8 LYS HG3 1 1 19 8833 1 1 8 LYS HZ1 H 1.396 -7.153 -3.311 1.00 . A A . 8 LYS HZ1 1 1 19 8834 1 1 8 LYS HZ2 H 1.635 -8.746 -3.094 1.00 . A A . 8 LYS HZ2 1 1 19 8835 1 1 8 LYS HZ3 H 0.372 -8.005 -2.363 1.00 . A A . 8 LYS HZ3 1 1 19 8836 1 1 8 LYS N N -2.783 -9.820 -0.678 1.00 . A A . 8 LYS N 1 1 19 8837 1 1 8 LYS NZ N 0.911 -8.037 -3.220 1.00 . A A . 8 LYS NZ 1 1 19 8838 1 1 8 LYS O O -0.684 -9.853 1.081 1.00 . A A . 8 LYS O 1 1 19 8839 1 1 9 GLU C C 1.905 -11.714 1.768 1.00 . A A . 9 GLU C 1 1 19 8840 1 1 9 GLU CA C 0.467 -12.195 2.082 1.00 . A A . 9 GLU CA 1 1 19 8841 1 1 9 GLU CB C 0.460 -13.638 2.611 1.00 . A A . 9 GLU CB 1 1 19 8842 1 1 9 GLU CD C -0.661 -15.420 3.949 1.00 . A A . 9 GLU CD 1 1 19 8843 1 1 9 GLU CG C -0.859 -14.071 3.251 1.00 . A A . 9 GLU CG 1 1 19 8844 1 1 9 GLU H H -0.764 -12.915 0.469 1.00 . A A . 9 GLU H 1 1 19 8845 1 1 9 GLU HA H 0.115 -11.552 2.890 1.00 . A A . 9 GLU HA 1 1 19 8846 1 1 9 GLU HB2 H 0.694 -14.310 1.788 1.00 . A A . 9 GLU HB2 1 1 19 8847 1 1 9 GLU HB3 H 1.232 -13.739 3.377 1.00 . A A . 9 GLU HB3 1 1 19 8848 1 1 9 GLU HG2 H -1.163 -13.315 3.982 1.00 . A A . 9 GLU HG2 1 1 19 8849 1 1 9 GLU HG3 H -1.637 -14.148 2.489 1.00 . A A . 9 GLU HG3 1 1 19 8850 1 1 9 GLU N N -0.464 -12.067 0.943 1.00 . A A . 9 GLU N 1 1 19 8851 1 1 9 GLU O O 2.881 -12.357 2.154 1.00 . A A . 9 GLU O 1 1 19 8852 1 1 9 GLU OE1 O -0.446 -16.450 3.253 1.00 . A A . 9 GLU OE1 1 1 19 8853 1 1 9 GLU OE2 O -0.670 -15.434 5.205 1.00 . A A . 9 GLU OE2 1 1 19 8854 1 1 10 GLY C C 3.932 -9.203 1.867 1.00 . A A . 10 GLY C 1 1 19 8855 1 1 10 GLY CA C 3.370 -10.035 0.718 1.00 . A A . 10 GLY CA 1 1 19 8856 1 1 10 GLY H H 1.238 -10.059 0.819 1.00 . A A . 10 GLY H 1 1 19 8857 1 1 10 GLY HA2 H 4.074 -10.834 0.482 1.00 . A A . 10 GLY HA2 1 1 19 8858 1 1 10 GLY HA3 H 3.274 -9.399 -0.160 1.00 . A A . 10 GLY HA3 1 1 19 8859 1 1 10 GLY N N 2.063 -10.602 1.044 1.00 . A A . 10 GLY N 1 1 19 8860 1 1 10 GLY O O 5.108 -9.351 2.200 1.00 . A A . 10 GLY O 1 1 19 8861 1 1 11 HIS C C 2.283 -6.928 4.370 1.00 . A A . 11 HIS C 1 1 19 8862 1 1 11 HIS CA C 3.491 -7.458 3.577 1.00 . A A . 11 HIS CA 1 1 19 8863 1 1 11 HIS CB C 4.293 -6.274 3.000 1.00 . A A . 11 HIS CB 1 1 19 8864 1 1 11 HIS CD2 C 2.449 -4.949 1.781 1.00 . A A . 11 HIS CD2 1 1 19 8865 1 1 11 HIS CE1 C 3.310 -4.820 -0.221 1.00 . A A . 11 HIS CE1 1 1 19 8866 1 1 11 HIS CG C 3.649 -5.598 1.810 1.00 . A A . 11 HIS CG 1 1 19 8867 1 1 11 HIS H H 2.127 -8.320 2.199 1.00 . A A . 11 HIS H 1 1 19 8868 1 1 11 HIS HA H 4.120 -8.012 4.271 1.00 . A A . 11 HIS HA 1 1 19 8869 1 1 11 HIS HB2 H 4.434 -5.540 3.789 1.00 . A A . 11 HIS HB2 1 1 19 8870 1 1 11 HIS HB3 H 5.278 -6.634 2.711 1.00 . A A . 11 HIS HB3 1 1 19 8871 1 1 11 HIS HD1 H 5.145 -5.713 0.307 1.00 . A A . 11 HIS HD1 1 1 19 8872 1 1 11 HIS HD2 H 1.876 -4.683 2.664 1.00 . A A . 11 HIS HD2 1 1 19 8873 1 1 11 HIS HE1 H 3.497 -4.537 -1.244 1.00 . A A . 11 HIS HE1 1 1 19 8874 1 1 11 HIS N N 3.099 -8.355 2.483 1.00 . A A . 11 HIS N 1 1 19 8875 1 1 11 HIS ND1 N 4.185 -5.484 0.554 1.00 . A A . 11 HIS ND1 1 1 19 8876 1 1 11 HIS NE2 N 2.172 -4.541 0.458 1.00 . A A . 11 HIS NE2 1 1 19 8877 1 1 11 HIS O O 1.146 -7.331 4.133 1.00 . A A . 11 HIS O 1 1 19 8878 1 1 12 GLN C C 1.672 -3.683 5.470 1.00 . A A . 12 GLN C 1 1 19 8879 1 1 12 GLN CA C 1.585 -5.120 5.964 1.00 . A A . 12 GLN CA 1 1 19 8880 1 1 12 GLN CB C 1.843 -5.231 7.478 1.00 . A A . 12 GLN CB 1 1 19 8881 1 1 12 GLN CD C 0.768 -5.830 9.717 1.00 . A A . 12 GLN CD 1 1 19 8882 1 1 12 GLN CG C 0.562 -5.615 8.225 1.00 . A A . 12 GLN CG 1 1 19 8883 1 1 12 GLN H H 3.526 -5.776 5.438 1.00 . A A . 12 GLN H 1 1 19 8884 1 1 12 GLN HA H 0.557 -5.379 5.723 1.00 . A A . 12 GLN HA 1 1 19 8885 1 1 12 GLN HB2 H 2.590 -5.996 7.680 1.00 . A A . 12 GLN HB2 1 1 19 8886 1 1 12 GLN HB3 H 2.261 -4.290 7.832 1.00 . A A . 12 GLN HB3 1 1 19 8887 1 1 12 GLN HE21 H 0.747 -3.839 10.116 1.00 . A A . 12 GLN HE21 1 1 19 8888 1 1 12 GLN HE22 H 0.904 -4.926 11.491 1.00 . A A . 12 GLN HE22 1 1 19 8889 1 1 12 GLN HG2 H -0.190 -4.840 8.084 1.00 . A A . 12 GLN HG2 1 1 19 8890 1 1 12 GLN HG3 H 0.193 -6.549 7.803 1.00 . A A . 12 GLN HG3 1 1 19 8891 1 1 12 GLN N N 2.544 -5.989 5.280 1.00 . A A . 12 GLN N 1 1 19 8892 1 1 12 GLN NE2 N 0.834 -4.775 10.494 1.00 . A A . 12 GLN NE2 1 1 19 8893 1 1 12 GLN O O 2.564 -3.323 4.707 1.00 . A A . 12 GLN O 1 1 19 8894 1 1 12 GLN OE1 O 0.874 -6.945 10.213 1.00 . A A . 12 GLN OE1 1 1 19 8895 1 1 13 MET C C 1.954 -0.699 5.605 1.00 . A A . 13 MET C 1 1 19 8896 1 1 13 MET CA C 0.626 -1.429 5.562 1.00 . A A . 13 MET CA 1 1 19 8897 1 1 13 MET CB C -0.353 -0.745 6.517 1.00 . A A . 13 MET CB 1 1 19 8898 1 1 13 MET CE C -2.630 -2.659 8.427 1.00 . A A . 13 MET CE 1 1 19 8899 1 1 13 MET CG C -1.766 -1.233 6.247 1.00 . A A . 13 MET CG 1 1 19 8900 1 1 13 MET H H 0.051 -3.213 6.568 1.00 . A A . 13 MET H 1 1 19 8901 1 1 13 MET HA H 0.258 -1.323 4.545 1.00 . A A . 13 MET HA 1 1 19 8902 1 1 13 MET HB2 H -0.073 -0.952 7.550 1.00 . A A . 13 MET HB2 1 1 19 8903 1 1 13 MET HB3 H -0.331 0.326 6.351 1.00 . A A . 13 MET HB3 1 1 19 8904 1 1 13 MET HE1 H -1.572 -2.753 8.675 1.00 . A A . 13 MET HE1 1 1 19 8905 1 1 13 MET HE2 H -3.217 -2.728 9.343 1.00 . A A . 13 MET HE2 1 1 19 8906 1 1 13 MET HE3 H -2.912 -3.477 7.761 1.00 . A A . 13 MET HE3 1 1 19 8907 1 1 13 MET HG2 H -2.128 -0.745 5.360 1.00 . A A . 13 MET HG2 1 1 19 8908 1 1 13 MET HG3 H -1.733 -2.267 5.968 1.00 . A A . 13 MET HG3 1 1 19 8909 1 1 13 MET N N 0.742 -2.842 5.932 1.00 . A A . 13 MET N 1 1 19 8910 1 1 13 MET O O 2.236 0.048 4.673 1.00 . A A . 13 MET O 1 1 19 8911 1 1 13 MET SD S -2.937 -1.066 7.610 1.00 . A A . 13 MET SD 1 1 19 8912 1 1 14 LYS C C 5.066 -0.597 5.717 1.00 . A A . 14 LYS C 1 1 19 8913 1 1 14 LYS CA C 4.072 -0.317 6.840 1.00 . A A . 14 LYS CA 1 1 19 8914 1 1 14 LYS CB C 4.626 -0.729 8.211 1.00 . A A . 14 LYS CB 1 1 19 8915 1 1 14 LYS CD C 4.016 1.471 9.497 1.00 . A A . 14 LYS CD 1 1 19 8916 1 1 14 LYS CE C 2.767 2.116 10.116 1.00 . A A . 14 LYS CE 1 1 19 8917 1 1 14 LYS CG C 3.865 -0.064 9.377 1.00 . A A . 14 LYS CG 1 1 19 8918 1 1 14 LYS H H 2.428 -1.580 7.356 1.00 . A A . 14 LYS H 1 1 19 8919 1 1 14 LYS HA H 3.954 0.757 6.815 1.00 . A A . 14 LYS HA 1 1 19 8920 1 1 14 LYS HB2 H 4.547 -1.813 8.315 1.00 . A A . 14 LYS HB2 1 1 19 8921 1 1 14 LYS HB3 H 5.685 -0.489 8.252 1.00 . A A . 14 LYS HB3 1 1 19 8922 1 1 14 LYS HD2 H 4.864 1.677 10.150 1.00 . A A . 14 LYS HD2 1 1 19 8923 1 1 14 LYS HD3 H 4.227 1.937 8.537 1.00 . A A . 14 LYS HD3 1 1 19 8924 1 1 14 LYS HE2 H 2.470 1.514 10.973 1.00 . A A . 14 LYS HE2 1 1 19 8925 1 1 14 LYS HE3 H 3.014 3.121 10.480 1.00 . A A . 14 LYS HE3 1 1 19 8926 1 1 14 LYS HG2 H 2.809 -0.317 9.280 1.00 . A A . 14 LYS HG2 1 1 19 8927 1 1 14 LYS HG3 H 4.211 -0.509 10.311 1.00 . A A . 14 LYS HG3 1 1 19 8928 1 1 14 LYS HZ1 H 1.767 2.978 8.516 1.00 . A A . 14 LYS HZ1 1 1 19 8929 1 1 14 LYS HZ2 H 0.757 2.348 9.648 1.00 . A A . 14 LYS HZ2 1 1 19 8930 1 1 14 LYS HZ3 H 1.528 1.337 8.660 1.00 . A A . 14 LYS HZ3 1 1 19 8931 1 1 14 LYS N N 2.754 -0.934 6.650 1.00 . A A . 14 LYS N 1 1 19 8932 1 1 14 LYS NZ N 1.638 2.203 9.160 1.00 . A A . 14 LYS NZ 1 1 19 8933 1 1 14 LYS O O 5.940 0.224 5.466 1.00 . A A . 14 LYS O 1 1 19 8934 1 1 15 ASP C C 4.996 -1.747 2.510 1.00 . A A . 15 ASP C 1 1 19 8935 1 1 15 ASP CA C 5.727 -2.038 3.833 1.00 . A A . 15 ASP CA 1 1 19 8936 1 1 15 ASP CB C 6.142 -3.507 3.946 1.00 . A A . 15 ASP CB 1 1 19 8937 1 1 15 ASP CG C 7.633 -3.693 4.235 1.00 . A A . 15 ASP CG 1 1 19 8938 1 1 15 ASP H H 4.133 -2.325 5.228 1.00 . A A . 15 ASP H 1 1 19 8939 1 1 15 ASP HA H 6.629 -1.433 3.830 1.00 . A A . 15 ASP HA 1 1 19 8940 1 1 15 ASP HB2 H 5.539 -3.975 4.731 1.00 . A A . 15 ASP HB2 1 1 19 8941 1 1 15 ASP HB3 H 5.920 -4.003 3.000 1.00 . A A . 15 ASP HB3 1 1 19 8942 1 1 15 ASP N N 4.911 -1.708 5.006 1.00 . A A . 15 ASP N 1 1 19 8943 1 1 15 ASP O O 5.645 -1.485 1.495 1.00 . A A . 15 ASP O 1 1 19 8944 1 1 15 ASP OD1 O 8.172 -3.053 5.172 1.00 . A A . 15 ASP OD1 1 1 19 8945 1 1 15 ASP OD2 O 8.290 -4.469 3.500 1.00 . A A . 15 ASP OD2 1 1 19 8946 1 1 16 CYS C C 2.839 0.018 1.063 1.00 . A A . 16 CYS C 1 1 19 8947 1 1 16 CYS CA C 2.782 -1.468 1.420 1.00 . A A . 16 CYS CA 1 1 19 8948 1 1 16 CYS CB C 1.356 -1.913 1.784 1.00 . A A . 16 CYS CB 1 1 19 8949 1 1 16 CYS H H 3.203 -1.968 3.412 1.00 . A A . 16 CYS H 1 1 19 8950 1 1 16 CYS HA H 3.110 -2.052 0.566 1.00 . A A . 16 CYS HA 1 1 19 8951 1 1 16 CYS HB2 H 1.348 -2.870 2.259 1.00 . A A . 16 CYS HB2 1 1 19 8952 1 1 16 CYS HB3 H 0.956 -1.309 2.569 1.00 . A A . 16 CYS HB3 1 1 19 8953 1 1 16 CYS N N 3.657 -1.759 2.537 1.00 . A A . 16 CYS N 1 1 19 8954 1 1 16 CYS O O 3.453 0.412 0.077 1.00 . A A . 16 CYS O 1 1 19 8955 1 1 16 CYS SG S 0.317 -1.903 0.315 1.00 . A A . 16 CYS SG 1 1 19 8956 1 1 17 THR C C 1.471 2.674 0.343 1.00 . A A . 17 THR C 1 1 19 8957 1 1 17 THR CA C 2.010 2.278 1.734 1.00 . A A . 17 THR CA 1 1 19 8958 1 1 17 THR CB C 3.213 3.092 2.260 1.00 . A A . 17 THR CB 1 1 19 8959 1 1 17 THR CG2 C 4.568 2.801 1.629 1.00 . A A . 17 THR CG2 1 1 19 8960 1 1 17 THR H H 1.917 0.425 2.783 1.00 . A A . 17 THR H 1 1 19 8961 1 1 17 THR HA H 1.198 2.538 2.410 1.00 . A A . 17 THR HA 1 1 19 8962 1 1 17 THR HB H 3.311 2.884 3.322 1.00 . A A . 17 THR HB 1 1 19 8963 1 1 17 THR HG1 H 2.703 4.591 1.202 1.00 . A A . 17 THR HG1 1 1 19 8964 1 1 17 THR HG21 H 5.263 3.608 1.855 1.00 . A A . 17 THR HG21 1 1 19 8965 1 1 17 THR HG22 H 4.466 2.696 0.555 1.00 . A A . 17 THR HG22 1 1 19 8966 1 1 17 THR HG23 H 4.962 1.871 2.037 1.00 . A A . 17 THR HG23 1 1 19 8967 1 1 17 THR N N 2.217 0.843 1.914 1.00 . A A . 17 THR N 1 1 19 8968 1 1 17 THR O O 1.837 3.730 -0.162 1.00 . A A . 17 THR O 1 1 19 8969 1 1 17 THR OG1 O 2.976 4.467 2.123 1.00 . A A . 17 THR OG1 1 1 19 8970 1 1 18 GLU C C -1.330 2.796 -1.855 1.00 . A A . 18 GLU C 1 1 19 8971 1 1 18 GLU CA C 0.063 2.118 -1.656 1.00 . A A . 18 GLU CA 1 1 19 8972 1 1 18 GLU CB C 0.113 0.796 -2.444 1.00 . A A . 18 GLU CB 1 1 19 8973 1 1 18 GLU CD C 2.420 1.096 -3.523 1.00 . A A . 18 GLU CD 1 1 19 8974 1 1 18 GLU CG C 1.501 0.204 -2.678 1.00 . A A . 18 GLU CG 1 1 19 8975 1 1 18 GLU H H 0.443 0.947 0.117 1.00 . A A . 18 GLU H 1 1 19 8976 1 1 18 GLU HA H 0.757 2.796 -2.154 1.00 . A A . 18 GLU HA 1 1 19 8977 1 1 18 GLU HB2 H -0.472 0.068 -1.888 1.00 . A A . 18 GLU HB2 1 1 19 8978 1 1 18 GLU HB3 H -0.344 0.927 -3.421 1.00 . A A . 18 GLU HB3 1 1 19 8979 1 1 18 GLU HG2 H 1.943 0.004 -1.713 1.00 . A A . 18 GLU HG2 1 1 19 8980 1 1 18 GLU HG3 H 1.374 -0.755 -3.182 1.00 . A A . 18 GLU HG3 1 1 19 8981 1 1 18 GLU N N 0.561 1.886 -0.264 1.00 . A A . 18 GLU N 1 1 19 8982 1 1 18 GLU O O -1.826 2.828 -2.982 1.00 . A A . 18 GLU O 1 1 19 8983 1 1 18 GLU OE1 O 2.946 2.112 -3.026 1.00 . A A . 18 GLU OE1 1 1 19 8984 1 1 18 GLU OE2 O 2.638 0.801 -4.725 1.00 . A A . 18 GLU OE2 1 1 19 8985 1 1 19 ARG C C -4.492 3.199 -1.043 1.00 . A A . 19 ARG C 1 1 19 8986 1 1 19 ARG CA C -3.256 4.092 -0.792 1.00 . A A . 19 ARG CA 1 1 19 8987 1 1 19 ARG CB C -3.251 5.303 -1.757 1.00 . A A . 19 ARG CB 1 1 19 8988 1 1 19 ARG CD C -5.189 6.591 -2.817 1.00 . A A . 19 ARG CD 1 1 19 8989 1 1 19 ARG CG C -4.359 6.357 -1.538 1.00 . A A . 19 ARG CG 1 1 19 8990 1 1 19 ARG CZ C -7.236 7.805 -3.562 1.00 . A A . 19 ARG CZ 1 1 19 8991 1 1 19 ARG H H -1.450 3.289 0.065 1.00 . A A . 19 ARG H 1 1 19 8992 1 1 19 ARG HA H -3.378 4.471 0.227 1.00 . A A . 19 ARG HA 1 1 19 8993 1 1 19 ARG HB2 H -2.291 5.801 -1.699 1.00 . A A . 19 ARG HB2 1 1 19 8994 1 1 19 ARG HB3 H -3.331 4.914 -2.769 1.00 . A A . 19 ARG HB3 1 1 19 8995 1 1 19 ARG HD2 H -4.536 7.029 -3.574 1.00 . A A . 19 ARG HD2 1 1 19 8996 1 1 19 ARG HD3 H -5.541 5.623 -3.185 1.00 . A A . 19 ARG HD3 1 1 19 8997 1 1 19 ARG HE H -6.498 7.867 -1.709 1.00 . A A . 19 ARG HE 1 1 19 8998 1 1 19 ARG HG2 H -5.007 6.047 -0.721 1.00 . A A . 19 ARG HG2 1 1 19 8999 1 1 19 ARG HG3 H -3.894 7.296 -1.246 1.00 . A A . 19 ARG HG3 1 1 19 9000 1 1 19 ARG HH11 H -6.302 6.919 -5.116 1.00 . A A . 19 ARG HH11 1 1 19 9001 1 1 19 ARG HH12 H -7.846 7.671 -5.458 1.00 . A A . 19 ARG HH12 1 1 19 9002 1 1 19 ARG HH21 H -8.587 8.758 -2.379 1.00 . A A . 19 ARG HH21 1 1 19 9003 1 1 19 ARG HH22 H -8.856 8.850 -4.083 1.00 . A A . 19 ARG HH22 1 1 19 9004 1 1 19 ARG N N -1.920 3.412 -0.814 1.00 . A A . 19 ARG N 1 1 19 9005 1 1 19 ARG NE N -6.362 7.472 -2.620 1.00 . A A . 19 ARG NE 1 1 19 9006 1 1 19 ARG NH1 N -7.107 7.453 -4.802 1.00 . A A . 19 ARG NH1 1 1 19 9007 1 1 19 ARG NH2 N -8.295 8.516 -3.306 1.00 . A A . 19 ARG NH2 1 1 19 9008 1 1 19 ARG O O -5.619 3.668 -0.759 1.00 . A A . 19 ARG O 1 1 19 9009 1 1 19 ARG OXT O -4.369 2.065 -1.549 1.00 . A A . 19 ARG OXT 1 1 19 9010 2 2 1 DT C1' C 9.094 2.740 3.747 1.00 . B B . 20 DT C1' 1 1 19 9011 2 2 1 DT C2 C 9.099 0.451 4.716 1.00 . B B . 20 DT C2 1 1 19 9012 2 2 1 DT C2' C 7.794 3.133 3.055 1.00 . B B . 20 DT C2' 1 1 19 9013 2 2 1 DT C3' C 8.195 4.397 2.294 1.00 . B B . 20 DT C3' 1 1 19 9014 2 2 1 DT C4 C 8.479 0.044 7.046 1.00 . B B . 20 DT C4 1 1 19 9015 2 2 1 DT C4' C 9.375 4.920 3.140 1.00 . B B . 20 DT C4' 1 1 19 9016 2 2 1 DT C5 C 8.238 1.482 7.171 1.00 . B B . 20 DT C5 1 1 19 9017 2 2 1 DT C5' C 9.126 6.336 3.688 1.00 . B B . 20 DT C5' 1 1 19 9018 2 2 1 DT C6 C 8.410 2.307 6.103 1.00 . B B . 20 DT C6 1 1 19 9019 2 2 1 DT C7 C 7.746 2.080 8.476 1.00 . B B . 20 DT C7 1 1 19 9020 2 2 1 DT H1' H 9.766 2.287 3.012 1.00 . B B . 20 DT H1' 1 1 19 9021 2 2 1 DT H2' H 7.030 3.377 3.795 1.00 . B B . 20 DT H2' 1 1 19 9022 2 2 1 DT H2'' H 7.444 2.342 2.393 1.00 . B B . 20 DT H2'' 1 1 19 9023 2 2 1 DT H3 H 8.869 -1.360 5.622 1.00 . B B . 20 DT H3 1 1 19 9024 2 2 1 DT H3' H 7.361 5.104 2.294 1.00 . B B . 20 DT H3' 1 1 19 9025 2 2 1 DT H4' H 10.265 4.954 2.510 1.00 . B B . 20 DT H4' 1 1 19 9026 2 2 1 DT H5' H 9.985 6.642 4.281 1.00 . B B . 20 DT H5' 1 1 19 9027 2 2 1 DT H5'' H 9.057 7.013 2.838 1.00 . B B . 20 DT H5'' 1 1 19 9028 2 2 1 DT H6 H 8.202 3.366 6.199 1.00 . B B . 20 DT H6 1 1 19 9029 2 2 1 DT H71 H 8.588 2.164 9.163 1.00 . B B . 20 DT H71 1 1 19 9030 2 2 1 DT H72 H 6.993 1.425 8.917 1.00 . B B . 20 DT H72 1 1 19 9031 2 2 1 DT H73 H 7.309 3.067 8.316 1.00 . B B . 20 DT H73 1 1 19 9032 2 2 1 DT HO5' H 7.394 7.176 4.111 1.00 . B B . 20 DT HO5' 1 1 19 9033 2 2 1 DT N1 N 8.862 1.820 4.893 1.00 . B B . 20 DT N1 1 1 19 9034 2 2 1 DT N3 N 8.885 -0.368 5.798 1.00 . B B . 20 DT N3 1 1 19 9035 2 2 1 DT O2 O 9.523 -0.048 3.669 1.00 . B B . 20 DT O2 1 1 19 9036 2 2 1 DT O3' O 8.562 4.070 0.955 1.00 . B B . 20 DT O3' 1 1 19 9037 2 2 1 DT O4 O 8.336 -0.815 7.916 1.00 . B B . 20 DT O4 1 1 19 9038 2 2 1 DT O4' O 9.633 3.976 4.176 1.00 . B B . 20 DT O4' 1 1 19 9039 2 2 1 DT O5' O 7.938 6.450 4.469 1.00 . B B . 20 DT O5' 1 1 19 9040 2 2 2 DA C1' C 4.688 6.728 -2.228 1.00 . B B . 21 DA C1' 1 1 19 9041 2 2 2 DA C2 C 7.730 4.970 -4.936 1.00 . B B . 21 DA C2 1 1 19 9042 2 2 2 DA C2' C 3.888 6.934 -0.930 1.00 . B B . 21 DA C2' 1 1 19 9043 2 2 2 DA C3' C 4.942 7.345 0.100 1.00 . B B . 21 DA C3' 1 1 19 9044 2 2 2 DA C4 C 6.269 4.967 -3.241 1.00 . B B . 21 DA C4 1 1 19 9045 2 2 2 DA C4' C 6.051 7.947 -0.780 1.00 . B B . 21 DA C4' 1 1 19 9046 2 2 2 DA C5 C 6.579 3.679 -2.881 1.00 . B B . 21 DA C5 1 1 19 9047 2 2 2 DA C5' C 7.450 7.393 -0.455 1.00 . B B . 21 DA C5' 1 1 19 9048 2 2 2 DA C6 C 7.599 3.091 -3.665 1.00 . B B . 21 DA C6 1 1 19 9049 2 2 2 DA C8 C 5.004 4.268 -1.601 1.00 . B B . 21 DA C8 1 1 19 9050 2 2 2 DA H1' H 4.045 6.880 -3.102 1.00 . B B . 21 DA H1' 1 1 19 9051 2 2 2 DA H2 H 8.201 5.468 -5.771 1.00 . B B . 21 DA H2 1 1 19 9052 2 2 2 DA H2' H 3.332 6.063 -0.602 1.00 . B B . 21 DA H2' 1 1 19 9053 2 2 2 DA H2'' H 3.166 7.710 -1.110 1.00 . B B . 21 DA H2'' 1 1 19 9054 2 2 2 DA H3' H 5.327 6.427 0.545 1.00 . B B . 21 DA H3' 1 1 19 9055 2 2 2 DA H4' H 6.094 9.022 -0.607 1.00 . B B . 21 DA H4' 1 1 19 9056 2 2 2 DA H5' H 8.147 7.743 -1.216 1.00 . B B . 21 DA H5' 1 1 19 9057 2 2 2 DA H5'' H 7.760 7.806 0.504 1.00 . B B . 21 DA H5'' 1 1 19 9058 2 2 2 DA H61 H 8.832 1.570 -4.112 1.00 . B B . 21 DA H61 1 1 19 9059 2 2 2 DA H62 H 7.774 1.309 -2.739 1.00 . B B . 21 DA H62 1 1 19 9060 2 2 2 DA H8 H 4.211 4.288 -0.866 1.00 . B B . 21 DA H8 1 1 19 9061 2 2 2 DA N1 N 8.158 3.740 -4.685 1.00 . B B . 21 DA N1 1 1 19 9062 2 2 2 DA N3 N 6.810 5.677 -4.281 1.00 . B B . 21 DA N3 1 1 19 9063 2 2 2 DA N6 N 8.089 1.876 -3.512 1.00 . B B . 21 DA N6 1 1 19 9064 2 2 2 DA N7 N 5.772 3.234 -1.822 1.00 . B B . 21 DA N7 1 1 19 9065 2 2 2 DA N9 N 5.302 5.380 -2.343 1.00 . B B . 21 DA N9 1 1 19 9066 2 2 2 DA O3' O 4.499 8.180 1.180 1.00 . B B . 21 DA O3' 1 1 19 9067 2 2 2 DA O4' O 5.685 7.740 -2.148 1.00 . B B . 21 DA O4' 1 1 19 9068 2 2 2 DA O5' O 7.509 5.975 -0.370 1.00 . B B . 21 DA O5' 1 1 19 9069 2 2 2 DA OP1 O 9.255 4.532 -1.392 1.00 . B B . 21 DA OP1 1 1 19 9070 2 2 2 DA OP2 O 9.869 6.152 0.445 1.00 . B B . 21 DA OP2 1 1 19 9071 2 2 2 DA P P 8.890 5.210 -0.133 1.00 . B B . 21 DA P 1 1 19 9072 2 2 3 DC C1' C -1.180 7.688 0.303 1.00 . B B . 22 DC C1' 1 1 19 9073 2 2 3 DC C2 C -0.575 8.115 -2.109 1.00 . B B . 22 DC C2 1 1 19 9074 2 2 3 DC C2' C -0.709 7.149 1.679 1.00 . B B . 22 DC C2' 1 1 19 9075 2 2 3 DC C3' C -0.224 8.377 2.458 1.00 . B B . 22 DC C3' 1 1 19 9076 2 2 3 DC C4 C 0.904 6.790 -3.258 1.00 . B B . 22 DC C4 1 1 19 9077 2 2 3 DC C4' C -0.289 9.509 1.433 1.00 . B B . 22 DC C4' 1 1 19 9078 2 2 3 DC C5 C 1.030 5.907 -2.165 1.00 . B B . 22 DC C5 1 1 19 9079 2 2 3 DC C5' C 1.012 9.898 0.708 1.00 . B B . 22 DC C5' 1 1 19 9080 2 2 3 DC C6 C 0.384 6.228 -1.016 1.00 . B B . 22 DC C6 1 1 19 9081 2 2 3 DC H1' H -2.184 7.302 0.117 1.00 . B B . 22 DC H1' 1 1 19 9082 2 2 3 DC H2' H 0.084 6.407 1.637 1.00 . B B . 22 DC H2' 1 1 19 9083 2 2 3 DC H2'' H -1.556 6.703 2.200 1.00 . B B . 22 DC H2'' 1 1 19 9084 2 2 3 DC H3' H 0.791 8.226 2.821 1.00 . B B . 22 DC H3' 1 1 19 9085 2 2 3 DC H4' H -0.647 10.410 1.939 1.00 . B B . 22 DC H4' 1 1 19 9086 2 2 3 DC H41 H 1.512 7.203 -5.113 1.00 . B B . 22 DC H41 1 1 19 9087 2 2 3 DC H42 H 2.144 5.715 -4.406 1.00 . B B . 22 DC H42 1 1 19 9088 2 2 3 DC H5 H 1.622 5.007 -2.230 1.00 . B B . 22 DC H5 1 1 19 9089 2 2 3 DC H5' H 0.808 10.049 -0.357 1.00 . B B . 22 DC H5' 1 1 19 9090 2 2 3 DC H5'' H 1.319 10.864 1.110 1.00 . B B . 22 DC H5'' 1 1 19 9091 2 2 3 DC H6 H 0.447 5.564 -0.173 1.00 . B B . 22 DC H6 1 1 19 9092 2 2 3 DC N1 N -0.362 7.377 -0.926 1.00 . B B . 22 DC N1 1 1 19 9093 2 2 3 DC N3 N 0.104 7.830 -3.252 1.00 . B B . 22 DC N3 1 1 19 9094 2 2 3 DC N4 N 1.572 6.553 -4.345 1.00 . B B . 22 DC N4 1 1 19 9095 2 2 3 DC O2 O -1.415 9.007 -2.192 1.00 . B B . 22 DC O2 1 1 19 9096 2 2 3 DC O3' O -1.137 8.708 3.498 1.00 . B B . 22 DC O3' 1 1 19 9097 2 2 3 DC O4' O -1.282 9.087 0.518 1.00 . B B . 22 DC O4' 1 1 19 9098 2 2 3 DC O5' O 2.080 8.970 0.855 1.00 . B B . 22 DC O5' 1 1 19 9099 2 2 3 DC OP1 O 3.974 10.274 -0.148 1.00 . B B . 22 DC OP1 1 1 19 9100 2 2 3 DC OP2 O 3.615 10.170 2.359 1.00 . B B . 22 DC OP2 1 1 19 9101 2 2 3 DC P P 3.576 9.491 1.046 1.00 . B B . 22 DC P 1 1 19 9102 2 2 4 DG C1' C -0.270 3.615 4.819 1.00 . B B . 23 DG C1' 1 1 19 9103 2 2 4 DG C2 C 3.102 6.588 4.543 1.00 . B B . 23 DG C2 1 1 19 9104 2 2 4 DG C2' C -1.156 3.001 5.919 1.00 . B B . 23 DG C2' 1 1 19 9105 2 2 4 DG C3' C -2.055 4.148 6.357 1.00 . B B . 23 DG C3' 1 1 19 9106 2 2 4 DG C4 C 2.097 4.693 5.215 1.00 . B B . 23 DG C4 1 1 19 9107 2 2 4 DG C4' C -2.070 5.050 5.116 1.00 . B B . 23 DG C4' 1 1 19 9108 2 2 4 DG C5 C 3.278 4.154 5.693 1.00 . B B . 23 DG C5 1 1 19 9109 2 2 4 DG C5' C -2.246 6.564 5.319 1.00 . B B . 23 DG C5' 1 1 19 9110 2 2 4 DG C6 C 4.491 4.928 5.579 1.00 . B B . 23 DG C6 1 1 19 9111 2 2 4 DG C8 C 1.807 2.648 5.900 1.00 . B B . 23 DG C8 1 1 19 9112 2 2 4 DG H1 H 5.131 6.675 4.738 1.00 . B B . 23 DG H1 1 1 19 9113 2 2 4 DG H1' H -0.333 2.998 3.925 1.00 . B B . 23 DG H1' 1 1 19 9114 2 2 4 DG H2' H -0.596 2.677 6.794 1.00 . B B . 23 DG H2' 1 1 19 9115 2 2 4 DG H2'' H -1.711 2.124 5.538 1.00 . B B . 23 DG H2'' 1 1 19 9116 2 2 4 DG H21 H 3.855 8.317 3.804 1.00 . B B . 23 DG H21 1 1 19 9117 2 2 4 DG H22 H 2.115 8.210 4.058 1.00 . B B . 23 DG H22 1 1 19 9118 2 2 4 DG H3' H -1.608 4.684 7.195 1.00 . B B . 23 DG H3' 1 1 19 9119 2 2 4 DG H4' H -2.875 4.694 4.472 1.00 . B B . 23 DG H4' 1 1 19 9120 2 2 4 DG H5' H -2.620 6.947 4.371 1.00 . B B . 23 DG H5' 1 1 19 9121 2 2 4 DG H5'' H -3.012 6.755 6.069 1.00 . B B . 23 DG H5'' 1 1 19 9122 2 2 4 DG H8 H 1.321 1.704 6.095 1.00 . B B . 23 DG H8 1 1 19 9123 2 2 4 DG N1 N 4.317 6.120 4.910 1.00 . B B . 23 DG N1 1 1 19 9124 2 2 4 DG N2 N 3.044 7.817 4.128 1.00 . B B . 23 DG N2 1 1 19 9125 2 2 4 DG N3 N 1.942 5.960 4.726 1.00 . B B . 23 DG N3 1 1 19 9126 2 2 4 DG N7 N 3.046 2.879 6.210 1.00 . B B . 23 DG N7 1 1 19 9127 2 2 4 DG N9 N 1.145 3.682 5.304 1.00 . B B . 23 DG N9 1 1 19 9128 2 2 4 DG O3' O -3.275 3.532 6.724 1.00 . B B . 23 DG O3' 1 1 19 9129 2 2 4 DG O4' O -0.829 4.855 4.458 1.00 . B B . 23 DG O4' 1 1 19 9130 2 2 4 DG O5' O -1.029 7.249 5.634 1.00 . B B . 23 DG O5' 1 1 19 9131 2 2 4 DG O6 O 5.628 4.670 5.973 1.00 . B B . 23 DG O6 1 1 19 9132 2 2 4 DG OP1 O -1.657 9.653 5.739 1.00 . B B . 23 DG OP1 1 1 19 9133 2 2 4 DG OP2 O 0.707 8.972 5.158 1.00 . B B . 23 DG OP2 1 1 19 9134 2 2 4 DG P P -0.749 8.722 5.049 1.00 . B B . 23 DG P 1 1 19 9135 2 2 5 DC C1' C -7.087 5.050 1.969 1.00 . B B . 24 DC C1' 1 1 19 9136 2 2 5 DC C2 C -9.488 5.754 2.478 1.00 . B B . 24 DC C2 1 1 19 9137 2 2 5 DC C2' C -6.263 6.294 2.305 1.00 . B B . 24 DC C2' 1 1 19 9138 2 2 5 DC C3' C -6.138 6.212 3.818 1.00 . B B . 24 DC C3' 1 1 19 9139 2 2 5 DC C4 C -10.807 6.574 0.775 1.00 . B B . 24 DC C4 1 1 19 9140 2 2 5 DC C4' C -5.948 4.708 3.931 1.00 . B B . 24 DC C4' 1 1 19 9141 2 2 5 DC C5 C -9.788 6.387 -0.188 1.00 . B B . 24 DC C5 1 1 19 9142 2 2 5 DC C5' C -6.022 4.130 5.342 1.00 . B B . 24 DC C5' 1 1 19 9143 2 2 5 DC C6 C -8.624 5.845 0.241 1.00 . B B . 24 DC C6 1 1 19 9144 2 2 5 DC H1' H -6.618 4.537 1.124 1.00 . B B . 24 DC H1' 1 1 19 9145 2 2 5 DC H2' H -6.740 7.223 2.001 1.00 . B B . 24 DC H2' 1 1 19 9146 2 2 5 DC H2'' H -5.278 6.222 1.841 1.00 . B B . 24 DC H2'' 1 1 19 9147 2 2 5 DC H3' H -7.065 6.496 4.320 1.00 . B B . 24 DC H3' 1 1 19 9148 2 2 5 DC H4' H -4.971 4.465 3.518 1.00 . B B . 24 DC H4' 1 1 19 9149 2 2 5 DC H41 H -12.692 7.021 1.120 1.00 . B B . 24 DC H41 1 1 19 9150 2 2 5 DC H42 H -12.190 7.157 -0.549 1.00 . B B . 24 DC H42 1 1 19 9151 2 2 5 DC H5 H -9.925 6.640 -1.227 1.00 . B B . 24 DC H5 1 1 19 9152 2 2 5 DC H5' H -7.063 4.101 5.666 1.00 . B B . 24 DC H5' 1 1 19 9153 2 2 5 DC H5'' H -5.619 3.112 5.306 1.00 . B B . 24 DC H5'' 1 1 19 9154 2 2 5 DC H6 H -7.807 5.689 -0.448 1.00 . B B . 24 DC H6 1 1 19 9155 2 2 5 DC N1 N -8.456 5.490 1.557 1.00 . B B . 24 DC N1 1 1 19 9156 2 2 5 DC N3 N -10.650 6.311 2.055 1.00 . B B . 24 DC N3 1 1 19 9157 2 2 5 DC N4 N -11.949 7.090 0.435 1.00 . B B . 24 DC N4 1 1 19 9158 2 2 5 DC O2 O -9.400 5.524 3.689 1.00 . B B . 24 DC O2 1 1 19 9159 2 2 5 DC O3' O -5.043 6.999 4.233 1.00 . B B . 24 DC O3' 1 1 19 9160 2 2 5 DC O4' O -6.995 4.204 3.109 1.00 . B B . 24 DC O4' 1 1 19 9161 2 2 5 DC O5' O -5.272 4.931 6.234 1.00 . B B . 24 DC O5' 1 1 19 9162 2 2 5 DC OP1 O -3.936 5.452 8.212 1.00 . B B . 24 DC OP1 1 1 19 9163 2 2 5 DC OP2 O -5.323 3.311 8.110 1.00 . B B . 24 DC OP2 1 1 19 9164 2 2 5 DC P P -4.460 4.309 7.442 1.00 . B B . 24 DC P 1 1 19 9165 2 2 6 DC C1' C -7.681 10.922 0.502 1.00 . B B . 25 DC C1' 1 1 19 9166 2 2 6 DC C2 C -7.345 11.429 -1.913 1.00 . B B . 25 DC C2 1 1 19 9167 2 2 6 DC C2' C -8.346 9.560 0.698 1.00 . B B . 25 DC C2' 1 1 19 9168 2 2 6 DC C3' C -8.753 9.579 2.171 1.00 . B B . 25 DC C3' 1 1 19 9169 2 2 6 DC C4 C -5.373 10.939 -2.992 1.00 . B B . 25 DC C4 1 1 19 9170 2 2 6 DC C4' C -7.839 10.680 2.762 1.00 . B B . 25 DC C4' 1 1 19 9171 2 2 6 DC C5 C -4.759 10.515 -1.783 1.00 . B B . 25 DC C5 1 1 19 9172 2 2 6 DC C5' C -7.035 10.294 4.007 1.00 . B B . 25 DC C5' 1 1 19 9173 2 2 6 DC C6 C -5.502 10.546 -0.649 1.00 . B B . 25 DC C6 1 1 19 9174 2 2 6 DC H1' H -8.448 11.693 0.419 1.00 . B B . 25 DC H1' 1 1 19 9175 2 2 6 DC H2' H -7.619 8.767 0.531 1.00 . B B . 25 DC H2' 1 1 19 9176 2 2 6 DC H2'' H -9.206 9.433 0.043 1.00 . B B . 25 DC H2'' 1 1 19 9177 2 2 6 DC H3' H -8.557 8.599 2.614 1.00 . B B . 25 DC H3' 1 1 19 9178 2 2 6 DC H4' H -8.455 11.535 3.038 1.00 . B B . 25 DC H4' 1 1 19 9179 2 2 6 DC H41 H -5.188 10.970 -4.992 1.00 . B B . 25 DC H41 1 1 19 9180 2 2 6 DC H42 H -3.730 10.621 -4.087 1.00 . B B . 25 DC H42 1 1 19 9181 2 2 6 DC H5 H -3.736 10.170 -1.750 1.00 . B B . 25 DC H5 1 1 19 9182 2 2 6 DC H5' H -6.186 10.978 4.076 1.00 . B B . 25 DC H5' 1 1 19 9183 2 2 6 DC H5'' H -7.653 10.424 4.896 1.00 . B B . 25 DC H5'' 1 1 19 9184 2 2 6 DC H6 H -5.081 10.236 0.303 1.00 . B B . 25 DC H6 1 1 19 9185 2 2 6 DC HO3' H -10.661 9.131 2.090 1.00 . B B . 25 DC HO3' 1 1 19 9186 2 2 6 DC N1 N -6.803 10.980 -0.700 1.00 . B B . 25 DC N1 1 1 19 9187 2 2 6 DC N3 N -6.621 11.367 -3.057 1.00 . B B . 25 DC N3 1 1 19 9188 2 2 6 DC N4 N -4.714 10.853 -4.109 1.00 . B B . 25 DC N4 1 1 19 9189 2 2 6 DC O2 O -8.505 11.852 -1.982 1.00 . B B . 25 DC O2 1 1 19 9190 2 2 6 DC O3' O -10.133 9.923 2.284 1.00 . B B . 25 DC O3' 1 1 19 9191 2 2 6 DC O4' O -6.975 11.099 1.712 1.00 . B B . 25 DC O4' 1 1 19 9192 2 2 6 DC O5' O -6.588 8.956 3.961 1.00 . B B . 25 DC O5' 1 1 19 9193 2 2 6 DC OP1 O -4.178 9.317 4.128 1.00 . B B . 25 DC OP1 1 1 19 9194 2 2 6 DC OP2 O -5.457 8.538 6.169 1.00 . B B . 25 DC OP2 1 1 19 9195 2 2 6 DC P P -5.261 8.497 4.700 1.00 . B B . 25 DC P 1 1 19 9196 3 3 1 ZN ZN ZN 0.376 -3.817 -0.041 1.00 . C A . 26 ZN ZN 1 1 stop_ save_
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