NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
444164 | 2kgi | 16210 | cing | 4-filtered-FRED | STAR | entry | full | 686 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2kgi # This FRED archive file contains, for PDB entry <2kgi>: # # - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) 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.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_2kgi _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2kgi _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "free and other bound" _Assembly.Molecular_mass 6951.47 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 $Histone_demethylase_JARID1A A . 1 1 2 . 2 $H3_1_9_K4me3 B . 1 1 3 . 3 $ZINC_ION C . 1 1 4 . 3 $ZINC_ION D . 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 4 3 ZN 1 ZN 1 1 stop_ save_ save_Histone_demethylase_JARID1A _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Histone demethylase JARID1A" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code SVCAAQNCQRPCKDKVDWVQCDGGCDEWFHQVCVGVSPEMAENEDYICINCA _Entity.Number_of_monomers 52 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 SER . 1 1 2 VAL . 1 1 3 CYS . 1 1 4 ALA . 1 1 5 ALA . 1 1 6 GLN . 1 1 7 ASN . 1 1 8 CYS . 1 1 9 GLN . 1 1 10 ARG . 1 1 11 PRO . 1 1 12 CYS . 1 1 13 LYS . 1 1 14 ASP . 1 1 15 LYS . 1 1 16 VAL . 1 1 17 ASP . 1 1 18 TRP . 1 1 19 VAL . 1 1 20 GLN . 1 1 21 CYS . 1 1 22 ASP . 1 1 23 GLY . 1 1 24 GLY . 1 1 25 CYS . 1 1 26 ASP . 1 1 27 GLU . 1 1 28 TRP . 1 1 29 PHE . 1 1 30 HIS . 1 1 31 GLN . 1 1 32 VAL . 1 1 33 CYS . 1 1 34 VAL . 1 1 35 GLY . 1 1 36 VAL . 1 1 37 SER . 1 1 38 PRO . 1 1 39 GLU . 1 1 40 MET . 1 1 41 ALA . 1 1 42 GLU . 1 1 43 ASN . 1 1 44 GLU . 1 1 45 ASP . 1 1 46 TYR . 1 1 47 ILE . 1 1 48 CYS . 1 1 49 ILE . 1 1 50 ASN . 1 1 51 CYS . 1 1 52 ALA . 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 SER 1 1 1 1 VAL 2 2 1 1 CYS 3 3 1 1 ALA 4 4 1 1 ALA 5 5 1 1 GLN 6 6 1 1 ASN 7 7 1 1 CYS 8 8 1 1 GLN 9 9 1 1 ARG 10 10 1 1 PRO 11 11 1 1 CYS 12 12 1 1 LYS 13 13 1 1 ASP 14 14 1 1 LYS 15 15 1 1 VAL 16 16 1 1 ASP 17 17 1 1 TRP 18 18 1 1 VAL 19 19 1 1 GLN 20 20 1 1 CYS 21 21 1 1 ASP 22 22 1 1 GLY 23 23 1 1 GLY 24 24 1 1 CYS 25 25 1 1 ASP 26 26 1 1 GLU 27 27 1 1 TRP 28 28 1 1 PHE 29 29 1 1 HIS 30 30 1 1 GLN 31 31 1 1 VAL 32 32 1 1 CYS 33 33 1 1 VAL 34 34 1 1 GLY 35 35 1 1 VAL 36 36 1 1 SER 37 37 1 1 PRO 38 38 1 1 GLU 39 39 1 1 MET 40 40 1 1 ALA 41 41 1 1 GLU 42 42 1 1 ASN 43 43 1 1 GLU 44 44 1 1 ASP 45 45 1 1 TYR 46 46 1 1 ILE 47 47 1 1 CYS 48 48 1 1 ILE 49 49 1 1 ASN 50 50 1 1 CYS 51 51 1 1 ALA 52 52 1 1 stop_ save_ save_H3_1_9_K4me3 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "H3 1 9 K4me3" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code ARTXQTARK _Entity.Number_of_monomers 9 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 ALA . 1 2 2 ARG . 1 2 3 THR . 1 2 4 . $. 1 2 5 GLN . 1 2 6 THR . 1 2 7 ALA . 1 2 8 ARG . 1 2 9 LYS . 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 ALA 1 1 1 2 ARG 2 2 1 2 THR 3 3 1 2 . 4 4 1 2 GLN 5 5 1 2 THR 6 6 1 2 ALA 7 7 1 2 ARG 8 8 1 2 LYS 9 9 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_. _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID . _Chem_comp.Type non-polymer 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_CNS/XPLOR_distance_constraints_2_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 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 432 1 . . . 1 1 433 1 . . . 1 1 434 1 . . . 1 1 435 1 . . . 1 1 436 1 . . . 1 1 437 1 . . . 1 1 438 1 . . . 1 1 439 1 . . . 1 1 440 1 . . . 1 1 441 1 . . . 1 1 442 1 . . . 1 1 443 1 . . . 1 1 444 1 . . . 1 1 445 1 . . . 1 1 446 1 . . . 1 1 447 1 . . . 1 1 448 1 . . . 1 1 449 1 . . . 1 1 450 1 . . . 1 1 451 1 . . . 1 1 452 1 . . . 1 1 453 1 . . . 1 1 454 1 . . . 1 1 455 1 . . . 1 1 456 1 . . . 1 1 457 1 . . . 1 1 458 1 . . . 1 1 459 1 . . . 1 1 460 1 . . . 1 1 461 1 . . . 1 1 462 1 . . . 1 1 463 1 . . . 1 1 464 1 . . . 1 1 465 1 . . . 1 1 466 1 . . . 1 1 467 1 . . . 1 1 468 1 . . . 1 1 469 1 . . . 1 1 470 1 . . . 1 1 471 1 . . . 1 1 472 1 . . . 1 1 473 1 . . . 1 1 474 1 . . . 1 1 475 1 . . . 1 1 476 1 . . . 1 1 477 1 . . . 1 1 478 1 . . . 1 1 479 1 . . . 1 1 480 1 . . . 1 1 481 1 . . . 1 1 482 1 . . . 1 1 483 1 . . . 1 1 484 1 . . . 1 1 485 1 . . . 1 1 486 1 . . . 1 1 487 1 . . . 1 1 488 1 . . . 1 1 489 1 . . . 1 1 490 1 . . . 1 1 491 1 . . . 1 1 492 1 . . . 1 1 493 1 . . . 1 1 494 1 . . . 1 1 495 1 . . . 1 1 496 1 . . . 1 1 497 1 . . . 1 1 498 1 . . . 1 1 499 1 . . . 1 1 500 1 . . . 1 1 501 1 . . . 1 1 502 1 . . . 1 1 503 1 . . . 1 1 504 1 . . . 1 1 505 1 . . . 1 1 506 1 . . . 1 1 507 1 . . . 1 1 508 1 . . . 1 1 509 1 . . . 1 1 510 1 . . . 1 1 511 1 . . . 1 1 512 1 . . . 1 1 513 1 . . . 1 1 514 1 . . . 1 1 515 1 . . . 1 1 516 1 . . . 1 1 517 1 . . . 1 1 518 1 . . . 1 1 519 1 . . . 1 1 520 1 . . . 1 1 521 1 . . . 1 1 522 1 . . . 1 1 523 1 . . . 1 1 524 1 . . . 1 1 525 1 . . . 1 1 526 1 . . . 1 1 527 1 . . . 1 1 528 1 . . . 1 1 529 1 . . . 1 1 530 1 . . . 1 1 531 1 . . . 1 1 532 1 . . . 1 1 533 1 . . . 1 1 534 1 . . . 1 1 535 1 . . . 1 1 536 1 . . . 1 1 537 1 . . . 1 1 538 1 . . . 1 1 539 1 . . . 1 1 540 1 . . . 1 1 541 1 . . . 1 1 542 1 . . . 1 1 543 1 . . . 1 1 544 1 . . . 1 1 545 1 . . . 1 1 546 1 . . . 1 1 547 1 . . . 1 1 548 1 . . . 1 1 549 1 . . . 1 1 550 1 . . . 1 1 551 1 . . . 1 1 552 1 . . . 1 1 553 1 . . . 1 1 554 1 . . . 1 1 555 1 . . . 1 1 556 1 . . . 1 1 557 1 . . . 1 1 558 1 . . . 1 1 559 1 . . . 1 1 560 1 . . . 1 1 561 1 . . . 1 1 562 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 2 VAL HA A 2 . HA 1 1 1 1 2 1 1 10 ARG QG A 10 . HG# 1 1 2 1 1 1 1 2 VAL HA A 2 . HA 1 1 2 1 2 1 1 11 PRO HD2 A 11 . HD2 1 1 3 1 1 1 1 2 VAL HA A 2 . HA 1 1 3 1 2 1 1 30 HIS HE1 A 30 . HE1 1 1 4 1 1 1 1 2 VAL HA A 2 . HA 1 1 4 1 2 1 1 3 CYS H A 3 . HN 1 1 5 1 1 1 1 2 VAL HB A 2 . HB 1 1 5 1 2 1 1 3 CYS H A 3 . HN 1 1 6 1 1 1 1 2 VAL MG1 A 2 . HG1# 1 1 6 1 2 1 1 3 CYS H A 3 . HN 1 1 7 1 1 1 1 2 VAL MG1 A 2 . HG1# 1 1 7 1 2 1 1 8 CYS HB2 A 8 . HB2 1 1 8 1 1 1 1 2 VAL MG1 A 2 . HG1# 1 1 8 1 2 1 1 8 CYS HB3 A 8 . HB1 1 1 9 1 1 1 1 3 CYS HA A 3 . HA 1 1 9 1 2 1 1 18 TRP HH2 A 18 . HH2 1 1 10 1 1 1 1 3 CYS HA A 3 . HA 1 1 10 1 2 1 1 18 TRP HZ3 A 18 . HZ3 1 1 11 1 1 1 1 3 CYS HA A 3 . HA 1 1 11 1 2 1 1 4 ALA H A 4 . HN 1 1 12 1 1 1 1 3 CYS HB3 A 3 . HB1 1 1 12 1 2 1 1 18 TRP HZ3 A 18 . HZ3 1 1 13 1 1 1 1 3 CYS HB3 A 3 . HB1 1 1 13 1 2 1 1 30 HIS H A 30 . HN 1 1 14 1 1 1 1 3 CYS HB3 A 3 . HB1 1 1 14 1 2 1 1 4 ALA H A 4 . HN 1 1 15 1 1 1 1 3 CYS HB2 A 3 . HB2 1 1 15 1 2 1 1 18 TRP HZ3 A 18 . HZ3 1 1 16 1 1 1 1 3 CYS HB2 A 3 . HB2 1 1 16 1 2 1 1 28 TRP HA A 28 . HA 1 1 17 1 1 1 1 3 CYS HB2 A 3 . HB2 1 1 17 1 2 1 1 28 TRP HB3 A 28 . HB1 1 1 18 1 1 1 1 3 CYS HB2 A 3 . HB2 1 1 18 1 2 1 1 30 HIS H A 30 . HN 1 1 19 1 1 1 1 3 CYS HB2 A 3 . HB2 1 1 19 1 2 1 1 4 ALA H A 4 . HN 1 1 20 1 1 1 1 3 CYS H A 3 . HN 1 1 20 1 2 1 1 30 HIS HE1 A 30 . HE1 1 1 21 1 1 1 1 3 CYS H A 3 . HN 1 1 21 1 2 1 1 8 CYS HB2 A 8 . HB2 1 1 22 1 1 1 1 3 CYS H A 3 . HN 1 1 22 1 2 1 1 8 CYS HB3 A 8 . HB1 1 1 23 1 1 1 1 4 ALA HA A 4 . HA 1 1 23 1 2 1 1 5 ALA H A 5 . HN 1 1 24 1 1 1 1 4 ALA MB A 4 . HB# 1 1 24 1 2 1 1 27 GLU HB3 A 27 . HB1 1 1 25 1 1 1 1 4 ALA MB A 4 . HB# 1 1 25 1 2 1 1 27 GLU HB2 A 27 . HB2 1 1 26 1 1 1 1 4 ALA MB A 4 . HB# 1 1 26 1 2 1 1 27 GLU HG3 A 27 . HG1 1 1 27 1 1 1 1 4 ALA MB A 4 . HB# 1 1 27 1 2 1 1 27 GLU HG2 A 27 . HG2 1 1 28 1 1 1 1 4 ALA MB A 4 . HB# 1 1 28 1 2 1 1 28 TRP H A 28 . HN 1 1 29 1 1 1 1 4 ALA MB A 4 . HB# 1 1 29 1 2 1 1 29 PHE QD A 29 . HD# 1 1 30 1 1 1 1 4 ALA MB A 4 . HB# 1 1 30 1 2 1 1 5 ALA H A 5 . HN 1 1 31 1 1 1 1 4 ALA H A 4 . HN 1 1 31 1 2 1 1 18 TRP HZ3 A 18 . HZ3 1 1 32 1 1 1 1 4 ALA H A 4 . HN 1 1 32 1 2 1 1 29 PHE HA A 29 . HA 1 1 33 1 1 1 1 4 ALA H A 4 . HN 1 1 33 1 2 1 1 30 HIS H A 30 . HN 1 1 34 1 1 1 1 4 ALA H A 4 . HN 1 1 34 1 2 1 1 4 ALA MB A 4 . HB# 1 1 35 1 1 1 1 4 ALA H A 4 . HN 1 1 35 1 2 1 1 5 ALA MB A 5 . HB# 1 1 36 1 1 1 1 4 ALA H A 4 . HN 1 1 36 1 2 1 1 5 ALA H A 5 . HN 1 1 37 1 1 1 1 5 ALA HA A 5 . HA 1 1 37 1 2 1 1 29 PHE QD A 29 . HD# 1 1 38 1 1 1 1 5 ALA HA A 5 . HA 1 1 38 1 2 1 1 6 GLN H A 6 . HN 1 1 39 1 1 1 1 5 ALA MB A 5 . HB# 1 1 39 1 2 1 1 29 PHE QD A 29 . HD# 1 1 40 1 1 1 1 5 ALA MB A 5 . HB# 1 1 40 1 2 1 1 33 CYS HB3 A 33 . HB1 1 1 41 1 1 1 1 5 ALA MB A 5 . HB# 1 1 41 1 2 1 1 33 CYS HB2 A 33 . HB2 1 1 42 1 1 1 1 5 ALA MB A 5 . HB# 1 1 42 1 2 1 1 34 VAL MG2 A 34 . HG2# 1 1 43 1 1 1 1 5 ALA MB A 5 . HB# 1 1 43 1 2 1 1 6 GLN H A 6 . HN 1 1 44 1 1 1 1 5 ALA MB A 5 . HB# 1 1 44 1 2 1 1 7 ASN H A 7 . HN 1 1 45 1 1 1 1 5 ALA MB A 5 . HB# 1 1 45 1 2 1 1 8 CYS H A 8 . HN 1 1 46 1 1 1 1 5 ALA MB A 5 . HB# 1 1 46 1 2 1 1 8 CYS HA A 8 . HA 1 1 47 1 1 1 1 5 ALA MB A 5 . HB# 1 1 47 1 2 1 1 8 CYS HB3 A 8 . HB1 1 1 48 1 1 1 1 5 ALA H A 5 . HN 1 1 48 1 2 1 1 29 PHE QD A 29 . HD# 1 1 49 1 1 1 1 5 ALA H A 5 . HN 1 1 49 1 2 1 1 5 ALA MB A 5 . HB# 1 1 50 1 1 1 1 6 GLN HA A 6 . HA 1 1 50 1 2 1 1 7 ASN HB2 A 7 . HB2 1 1 51 1 1 1 1 6 GLN HA A 6 . HA 1 1 51 1 2 1 1 7 ASN H A 7 . HN 1 1 52 1 1 1 1 6 GLN HB2 A 6 . HB2 1 1 52 1 2 1 1 7 ASN H A 7 . HN 1 1 53 1 1 1 1 6 GLN H A 6 . HN 1 1 53 1 2 1 1 6 GLN HB2 A 6 . HB2 1 1 54 1 1 1 1 6 GLN H A 6 . HN 1 1 54 1 2 1 1 6 GLN HG2 A 6 . HG2 1 1 55 1 1 1 1 6 GLN H A 6 . HN 1 1 55 1 2 1 1 7 ASN H A 7 . HN 1 1 56 1 1 1 1 7 ASN HA A 7 . HA 1 1 56 1 2 1 1 7 ASN HD21 A 7 . HD21 1 1 57 1 1 1 1 7 ASN HA A 7 . HA 1 1 57 1 2 1 1 7 ASN HD22 A 7 . HD22 1 1 58 1 1 1 1 7 ASN HA A 7 . HA 1 1 58 1 2 1 1 8 CYS H A 8 . HN 1 1 59 1 1 1 1 7 ASN H A 7 . HN 1 1 59 1 2 1 1 7 ASN HB2 A 7 . HB2 1 1 60 1 1 1 1 7 ASN H A 7 . HN 1 1 60 1 2 1 1 8 CYS H A 8 . HN 1 1 61 1 1 1 1 8 CYS HA A 8 . HA 1 1 61 1 2 1 1 9 GLN H A 9 . HN 1 1 62 1 1 1 1 8 CYS HB2 A 8 . HB2 1 1 62 1 2 1 1 9 GLN H A 9 . HN 1 1 63 1 1 1 1 8 CYS H A 8 . HN 1 1 63 1 2 1 1 8 CYS HB2 A 8 . HB2 1 1 64 1 1 1 1 8 CYS H A 8 . HN 1 1 64 1 2 1 1 8 CYS HB3 A 8 . HB1 1 1 65 1 1 1 1 9 GLN HA A 9 . HA 1 1 65 1 2 1 1 9 GLN HG3 A 9 . HG1 1 1 66 1 1 1 1 9 GLN H A 9 . HN 1 1 66 1 2 1 1 10 ARG H A 10 . HN 1 1 67 1 1 1 1 9 GLN H A 9 . HN 1 1 67 1 2 1 1 9 GLN HB2 A 9 . HB2 1 1 68 1 1 1 1 9 GLN H A 9 . HN 1 1 68 1 2 1 1 9 GLN HG3 A 9 . HG1 1 1 69 1 1 1 1 9 GLN H A 9 . HN 1 1 69 1 2 1 1 9 GLN HG2 A 9 . HG2 1 1 70 1 1 1 1 10 ARG HA A 10 . HA 1 1 70 1 2 1 1 10 ARG HG3 A 10 . HG1 1 1 71 1 1 1 1 10 ARG HA A 10 . HA 1 1 71 1 2 1 1 11 PRO HD3 A 11 . HD1 1 1 72 1 1 1 1 10 ARG HA A 10 . HA 1 1 72 1 2 1 1 11 PRO HD2 A 11 . HD2 1 1 73 1 1 1 1 10 ARG HA A 10 . HA 1 1 73 1 2 1 1 11 PRO HG2 A 11 . HG2 1 1 74 1 1 1 1 10 ARG HB3 A 10 . HB1 1 1 74 1 2 1 1 11 PRO HD3 A 11 . HD1 1 1 75 1 1 1 1 10 ARG HB2 A 10 . HB2 1 1 75 1 2 1 1 10 ARG HD2 A 10 . HD2 1 1 76 1 1 1 1 10 ARG H A 10 . HN 1 1 76 1 2 1 1 10 ARG HD2 A 10 . HD2 1 1 77 1 1 1 1 10 ARG H A 10 . HN 1 1 77 1 2 1 1 10 ARG HG2 A 10 . HG2 1 1 78 1 1 1 1 10 ARG H A 10 . HN 1 1 78 1 2 1 1 11 PRO HD3 A 11 . HD1 1 1 79 1 1 1 1 10 ARG H A 10 . HN 1 1 79 1 2 1 1 11 PRO HD2 A 11 . HD2 1 1 80 1 1 1 1 10 ARG H A 10 . HN 1 1 80 1 2 1 1 30 HIS HE1 A 30 . HE1 1 1 81 1 1 1 1 11 PRO HD3 A 11 . HD1 1 1 81 1 2 1 1 30 HIS HE1 A 30 . HE1 1 1 82 1 1 1 1 11 PRO HD2 A 11 . HD2 1 1 82 1 2 1 1 30 HIS HE1 A 30 . HE1 1 1 83 1 1 1 1 11 PRO HG3 A 11 . HG1 1 1 83 1 2 1 1 30 HIS HE1 A 30 . HE1 1 1 84 1 1 1 1 11 PRO HG2 A 11 . HG2 1 1 84 1 2 1 1 16 VAL QG A 16 . HG2# 1 1 85 1 1 1 1 12 CYS HA A 12 . HA 1 1 85 1 2 1 1 16 VAL QG A 16 . HG2# 1 1 86 1 1 1 1 12 CYS HB2 A 12 . HB2 1 1 86 1 2 1 1 13 LYS HA A 13 . HA 1 1 87 1 1 1 1 13 LYS HA A 13 . HA 1 1 87 1 2 1 1 13 LYS HD2 A 13 . HD2 1 1 88 1 1 1 1 13 LYS HA A 13 . HA 1 1 88 1 2 1 1 14 ASP H A 14 . HN 1 1 89 1 1 1 1 13 LYS HA A 13 . HA 1 1 89 1 2 1 1 16 VAL QG A 16 . HG1# 1 1 90 1 1 1 1 13 LYS HB3 A 13 . HB1 1 1 90 1 2 1 1 13 LYS HE2 A 13 . HE2 1 1 91 1 1 1 1 13 LYS HB3 A 13 . HB1 1 1 91 1 2 1 1 14 ASP H A 14 . HN 1 1 92 1 1 1 1 13 LYS HD2 A 13 . HD2 1 1 92 1 2 1 1 16 VAL QG A 16 . HG1# 1 1 93 1 1 1 1 13 LYS H A 13 . HN 1 1 93 1 2 1 1 13 LYS HG2 A 13 . HG2 1 1 94 1 1 1 1 13 LYS H A 13 . HN 1 1 94 1 2 1 1 16 VAL QG A 16 . HG1# 1 1 95 1 1 1 1 14 ASP HA A 14 . HA 1 1 95 1 2 1 1 15 LYS H A 15 . HN 1 1 96 1 1 1 1 14 ASP HB3 A 14 . HB1 1 1 96 1 2 1 1 15 LYS H A 15 . HN 1 1 97 1 1 1 1 14 ASP HB2 A 14 . HB2 1 1 97 1 2 1 1 15 LYS H A 15 . HN 1 1 98 1 1 1 1 14 ASP H A 14 . HN 1 1 98 1 2 1 1 15 LYS H A 15 . HN 1 1 99 1 1 1 1 15 LYS HA A 15 . HA 1 1 99 1 2 1 1 16 VAL H A 16 . HN 1 1 100 1 1 1 1 15 LYS HB3 A 15 . HB1 1 1 100 1 2 1 1 16 VAL H A 16 . HN 1 1 101 1 1 1 1 15 LYS HB2 A 15 . HB2 1 1 101 1 2 1 1 16 VAL H A 16 . HN 1 1 102 1 1 1 1 15 LYS QE A 15 . HE2 1 1 102 1 2 2 2 6 THR HB B 307 . HB# 1 1 103 1 1 1 1 15 LYS H A 15 . HN 1 1 103 1 2 1 1 15 LYS HB3 A 15 . HB1 1 1 104 1 1 1 1 15 LYS H A 15 . HN 1 1 104 1 2 1 1 15 LYS QE A 15 . HE2 1 1 105 1 1 1 1 15 LYS H A 15 . HN 1 1 105 1 2 1 1 15 LYS HG3 A 15 . HG1 1 1 106 1 1 1 1 15 LYS H A 15 . HN 1 1 106 1 2 1 1 16 VAL HA A 16 . HA 1 1 107 1 1 1 1 16 VAL HA A 16 . HA 1 1 107 1 2 1 1 17 ASP H A 17 . HN 1 1 108 1 1 1 1 16 VAL HB A 16 . HB 1 1 108 1 2 1 1 18 TRP HE1 A 18 . HE1 1 1 109 1 1 1 1 16 VAL QG A 16 . HG1# 1 1 109 1 2 1 1 17 ASP H A 17 . HN 1 1 110 1 1 1 1 16 VAL QG A 16 . HG2# 1 1 110 1 2 1 1 18 TRP HD1 A 18 . HD1 1 1 111 1 1 1 1 16 VAL QG A 16 . HG2# 1 1 111 1 2 1 1 18 TRP HE1 A 18 . HE1 1 1 112 1 1 1 1 16 VAL QG A 16 . HG2# 1 1 112 1 2 1 1 18 TRP HZ2 A 18 . HZ2 1 1 113 1 1 1 1 16 VAL QG A 16 . HG2# 1 1 113 1 2 2 2 5 GLN H B 306 . HN 1 1 114 1 1 1 1 16 VAL H A 16 . HN 1 1 114 1 2 1 1 16 VAL HB A 16 . HB 1 1 115 1 1 1 1 16 VAL H A 16 . HN 1 1 115 1 2 2 2 5 GLN H B 306 . HN 1 1 116 1 1 1 1 17 ASP HA A 17 . HA 1 1 116 1 2 1 1 18 TRP HD1 A 18 . HD1 1 1 117 1 1 1 1 17 ASP HA A 17 . HA 1 1 117 1 2 1 1 18 TRP H A 18 . HN 1 1 118 1 1 1 1 17 ASP HA A 17 . HA 1 1 118 1 2 2 2 3 THR H B 304 . HN 1 1 119 1 1 1 1 17 ASP HA A 17 . HA 1 1 119 1 2 2 2 5 GLN H B 306 . HN 1 1 120 1 1 1 1 17 ASP HB3 A 17 . HB1 1 1 120 1 2 1 1 18 TRP H A 18 . HN 1 1 121 1 1 1 1 17 ASP HB3 A 17 . HB1 1 1 121 1 2 1 1 31 GLN QE A 31 . HE22 1 1 122 1 1 1 1 17 ASP HB2 A 17 . HB2 1 1 122 1 2 1 1 18 TRP H A 18 . HN 1 1 123 1 1 1 1 17 ASP H A 17 . HN 1 1 123 1 2 1 1 17 ASP HB2 A 17 . HB2 1 1 124 1 1 1 1 17 ASP H A 17 . HN 1 1 124 1 2 1 1 18 TRP H A 18 . HN 1 1 125 1 1 1 1 18 TRP HA A 18 . HA 1 1 125 1 2 1 1 18 TRP HE3 A 18 . HE3 1 1 126 1 1 1 1 18 TRP HA A 18 . HA 1 1 126 1 2 1 1 19 VAL H A 19 . HN 1 1 127 1 1 1 1 18 TRP HA A 18 . HA 1 1 127 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 128 1 1 1 1 18 TRP HA A 18 . HA 1 1 128 1 2 1 1 30 HIS HA A 30 . HA 1 1 129 1 1 1 1 18 TRP HA A 18 . HA 1 1 129 1 2 1 1 31 GLN HG3 A 31 . HG1 1 1 130 1 1 1 1 18 TRP HA A 18 . HA 1 1 130 1 2 1 1 31 GLN H A 31 . HN 1 1 131 1 1 1 1 18 TRP QB A 18 . HB1 1 1 131 1 2 1 1 19 VAL H A 19 . HN 1 1 132 1 1 1 1 18 TRP QB A 18 . HB1 1 1 132 1 2 1 1 28 TRP HB3 A 28 . HB1 1 1 133 1 1 1 1 18 TRP QB A 18 . HB1 1 1 133 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 134 1 1 1 1 18 TRP QB A 18 . HB1 1 1 134 1 2 1 1 28 TRP HZ3 A 28 . HZ3 1 1 135 1 1 1 1 18 TRP QB A 18 . HB1 1 1 135 1 2 1 1 29 PHE H A 29 . HN 1 1 136 1 1 1 1 18 TRP QB A 18 . HB1 1 1 136 1 2 2 2 3 THR H B 304 . HN 1 1 137 1 1 1 1 18 TRP HD1 A 18 . HD1 1 1 137 1 2 2 2 5 GLN QG B 306 . HG2# 1 1 138 1 1 1 1 18 TRP HD1 A 18 . HD1 1 1 138 1 2 2 2 5 GLN H B 306 . HN 1 1 139 1 1 1 1 18 TRP HE1 A 18 . HE1 1 1 139 1 2 2 2 5 GLN QG B 306 . HG2# 1 1 140 1 1 1 1 18 TRP HE1 A 18 . HE1 1 1 140 1 2 2 2 5 GLN H B 306 . HN 1 1 141 1 1 1 1 18 TRP HE3 A 18 . HE3 1 1 141 1 2 1 1 19 VAL H A 19 . HN 1 1 142 1 1 1 1 18 TRP HE3 A 18 . HE3 1 1 142 1 2 1 1 28 TRP HB3 A 28 . HB1 1 1 143 1 1 1 1 18 TRP HE3 A 18 . HE3 1 1 143 1 2 1 1 28 TRP HB2 A 28 . HB2 1 1 144 1 1 1 1 18 TRP HE3 A 18 . HE3 1 1 144 1 2 1 1 29 PHE HA A 29 . HA 1 1 145 1 1 1 1 18 TRP HE3 A 18 . HE3 1 1 145 1 2 1 1 29 PHE H A 29 . HN 1 1 146 1 1 1 1 18 TRP HE3 A 18 . HE3 1 1 146 1 2 2 2 5 GLN QG B 306 . HG2# 1 1 147 1 1 1 1 18 TRP HH2 A 18 . HH2 1 1 147 1 2 2 2 5 GLN QG B 306 . HG2# 1 1 148 1 1 1 1 18 TRP H A 18 . HN 1 1 148 1 2 1 1 18 TRP HD1 A 18 . HD1 1 1 149 1 1 1 1 18 TRP H A 18 . HN 1 1 149 1 2 1 1 19 VAL H A 19 . HN 1 1 150 1 1 1 1 18 TRP H A 18 . HN 1 1 150 1 2 2 2 3 THR H B 304 . HN 1 1 151 1 1 1 1 18 TRP H A 18 . HN 1 1 151 1 2 1 1 31 GLN QE A 31 . HE22 1 1 152 1 1 1 1 18 TRP HZ2 A 18 . HZ2 1 1 152 1 2 2 2 5 GLN QG B 306 . HG2# 1 1 153 1 1 1 1 19 VAL HA A 19 . HA 1 1 153 1 2 1 1 20 GLN H A 20 . HN 1 1 154 1 1 1 1 19 VAL HA A 19 . HA 1 1 154 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 155 1 1 1 1 19 VAL HA A 19 . HA 1 1 155 1 2 1 1 28 TRP HZ3 A 28 . HZ3 1 1 156 1 1 1 1 19 VAL HA A 19 . HA 1 1 156 1 2 2 2 2 ARG HA B 303 . HA 1 1 157 1 1 1 1 19 VAL HA A 19 . HA 1 1 157 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 158 1 1 1 1 19 VAL HA A 19 . HA 1 1 158 1 2 2 2 3 THR H B 304 . HN 1 1 159 1 1 1 1 19 VAL HB A 19 . HB 1 1 159 1 2 1 1 20 GLN H A 20 . HN 1 1 160 1 1 1 1 19 VAL HB A 19 . HB 1 1 160 1 2 2 2 2 ARG HA B 303 . HA 1 1 161 1 1 1 1 19 VAL HB A 19 . HB 1 1 161 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 162 1 1 1 1 19 VAL HB A 19 . HB 1 1 162 1 2 1 1 31 GLN QE A 31 . HE22 1 1 163 1 1 1 1 19 VAL MG1 A 19 . HG1# 1 1 163 1 2 1 1 19 VAL MG2 A 19 . HG2# 1 1 164 1 1 1 1 19 VAL QG A 19 . HG1# 1 1 164 1 2 1 1 20 GLN H A 20 . HN 1 1 165 1 1 1 1 19 VAL QG A 19 . HG1# 1 1 165 1 2 2 2 2 ARG HA B 303 . HA 1 1 166 1 1 1 1 19 VAL QG A 19 . HG1# 1 1 166 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 167 1 1 1 1 19 VAL QG A 19 . HG1# 1 1 167 1 2 1 1 36 VAL MG2 A 36 . HG2# 1 1 168 1 1 1 1 19 VAL QG A 19 . HG1# 1 1 168 1 2 1 1 46 TYR HB3 A 46 . HB1 1 1 169 1 1 1 1 19 VAL QG A 19 . HG1# 1 1 169 1 2 1 1 46 TYR HB2 A 46 . HB2 1 1 170 1 1 1 1 19 VAL QG A 19 . HG1# 1 1 170 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 171 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 171 1 2 1 1 29 PHE HB3 A 29 . HB1 1 1 172 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 172 1 2 1 1 29 PHE HB2 A 29 . HB2 1 1 173 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 173 1 2 1 1 29 PHE QD A 29 . HD# 1 1 174 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 174 1 2 1 1 29 PHE H A 29 . HN 1 1 175 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 175 1 2 1 1 31 GLN HA A 31 . HA 1 1 176 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 176 1 2 1 1 31 GLN QE A 31 . HE22 1 1 177 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 177 1 2 1 1 31 GLN HG3 A 31 . HG1 1 1 178 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 178 1 2 1 1 31 GLN HG2 A 31 . HG2 1 1 179 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 179 1 2 1 1 31 GLN H A 31 . HN 1 1 180 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 180 1 2 1 1 36 VAL MG1 A 36 . HG1# 1 1 181 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 181 1 2 1 1 41 ALA MB A 41 . HB# 1 1 182 1 1 1 1 19 VAL QG A 19 . HG2# 1 1 182 1 2 1 1 46 TYR HE2 A 46 . HE1 1 1 183 1 1 1 1 19 VAL H A 19 . HN 1 1 183 1 2 1 1 19 VAL QG A 19 . HG1# 1 1 184 1 1 1 1 19 VAL H A 19 . HN 1 1 184 1 2 1 1 20 GLN H A 20 . HN 1 1 185 1 1 1 1 19 VAL H A 19 . HN 1 1 185 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 186 1 1 1 1 19 VAL H A 19 . HN 1 1 186 1 2 1 1 28 TRP HZ3 A 28 . HZ3 1 1 187 1 1 1 1 19 VAL H A 19 . HN 1 1 187 1 2 1 1 29 PHE HB2 A 29 . HB2 1 1 188 1 1 1 1 19 VAL H A 19 . HN 1 1 188 1 2 1 1 29 PHE H A 29 . HN 1 1 189 1 1 1 1 19 VAL H A 19 . HN 1 1 189 1 2 1 1 30 HIS HA A 30 . HA 1 1 190 1 1 1 1 19 VAL H A 19 . HN 1 1 190 1 2 1 1 31 GLN H A 31 . HN 1 1 191 1 1 1 1 20 GLN HA A 20 . HA 1 1 191 1 2 1 1 21 CYS H A 21 . HN 1 1 192 1 1 1 1 20 GLN HA A 20 . HA 1 1 192 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 193 1 1 1 1 20 GLN HA A 20 . HA 1 1 193 1 2 1 1 29 PHE QD A 29 . HD# 1 1 194 1 1 1 1 20 GLN HA A 20 . HA 1 1 194 1 2 1 1 29 PHE H A 29 . HN 1 1 195 1 1 1 1 20 GLN HB3 A 20 . HB1 1 1 195 1 2 1 1 21 CYS H A 21 . HN 1 1 196 1 1 1 1 20 GLN HB3 A 20 . HB1 1 1 196 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 197 1 1 1 1 20 GLN HB3 A 20 . HB1 1 1 197 1 2 1 1 28 TRP HH2 A 28 . HH2 1 1 198 1 1 1 1 20 GLN HB3 A 20 . HB1 1 1 198 1 2 1 1 28 TRP HZ2 A 28 . HZ2 1 1 199 1 1 1 1 20 GLN HB3 A 20 . HB1 1 1 199 1 2 1 1 28 TRP HZ3 A 28 . HZ3 1 1 200 1 1 1 1 20 GLN HB2 A 20 . HB2 1 1 200 1 2 1 1 21 CYS H A 21 . HN 1 1 201 1 1 1 1 20 GLN HB2 A 20 . HB2 1 1 201 1 2 1 1 28 TRP HZ2 A 28 . HZ2 1 1 202 1 1 1 1 20 GLN HE21 A 20 . HE21 1 1 202 1 2 1 1 26 ASP HB2 A 26 . HB2 1 1 203 1 1 1 1 20 GLN HE21 A 20 . HE21 1 1 203 1 2 1 1 28 TRP HE1 A 28 . HE1 1 1 204 1 1 1 1 20 GLN HE21 A 20 . HE21 1 1 204 1 2 1 1 28 TRP HD1 A 28 . HD1 1 1 205 1 1 1 1 20 GLN HE22 A 20 . HE22 1 1 205 1 2 1 1 26 ASP HA A 26 . HA 1 1 206 1 1 1 1 20 GLN HE22 A 20 . HE22 1 1 206 1 2 1 1 26 ASP HB2 A 26 . HB2 1 1 207 1 1 1 1 20 GLN HE22 A 20 . HE22 1 1 207 1 2 1 1 28 TRP HE1 A 28 . HE1 1 1 208 1 1 1 1 20 GLN HE22 A 20 . HE22 1 1 208 1 2 1 1 28 TRP HD1 A 28 . HD1 1 1 209 1 1 1 1 20 GLN HE22 A 20 . HE22 1 1 209 1 2 1 1 20 GLN HG3 A 20 . HG1 1 1 210 1 1 1 1 20 GLN HG3 A 20 . HG1 1 1 210 1 2 1 1 21 CYS H A 21 . HN 1 1 211 1 1 1 1 20 GLN HG3 A 20 . HG1 1 1 211 1 2 1 1 28 TRP HE1 A 28 . HE1 1 1 212 1 1 1 1 20 GLN HG3 A 20 . HG1 1 1 212 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 213 1 1 1 1 20 GLN HG3 A 20 . HG1 1 1 213 1 2 1 1 28 TRP HZ2 A 28 . HZ2 1 1 214 1 1 1 1 20 GLN HG2 A 20 . HG2 1 1 214 1 2 1 1 21 CYS H A 21 . HN 1 1 215 1 1 1 1 20 GLN HG2 A 20 . HG2 1 1 215 1 2 1 1 28 TRP HZ2 A 28 . HZ2 1 1 216 1 1 1 1 20 GLN H A 20 . HN 1 1 216 1 2 1 1 20 GLN HB2 A 20 . HB2 1 1 217 1 1 1 1 20 GLN H A 20 . HN 1 1 217 1 2 1 1 21 CYS H A 21 . HN 1 1 218 1 1 1 1 20 GLN H A 20 . HN 1 1 218 1 2 1 1 28 TRP HZ3 A 28 . HZ3 1 1 219 1 1 1 1 20 GLN H A 20 . HN 1 1 219 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 220 1 1 1 1 20 GLN H A 20 . HN 1 1 220 1 2 2 2 2 ARG HA B 303 . HA 1 1 221 1 1 1 1 21 CYS HA A 21 . HA 1 1 221 1 2 1 1 22 ASP H A 22 . HN 1 1 222 1 1 1 1 21 CYS HA A 21 . HA 1 1 222 1 2 1 1 23 GLY H A 23 . HN 1 1 223 1 1 1 1 21 CYS HA A 21 . HA 1 1 223 1 2 1 1 29 PHE HZ A 29 . HZ 1 1 224 1 1 1 1 21 CYS HA A 21 . HA 1 1 224 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 225 1 1 1 1 21 CYS HA A 21 . HA 1 1 225 1 2 1 1 47 ILE HA A 47 . HA 1 1 226 1 1 1 1 21 CYS HA A 21 . HA 1 1 226 1 2 1 1 48 CYS H A 48 . HN 1 1 227 1 1 1 1 21 CYS HB3 A 21 . HB1 1 1 227 1 2 1 1 27 GLU H A 27 . HN 1 1 228 1 1 1 1 21 CYS HB3 A 21 . HB1 1 1 228 1 2 1 1 29 PHE HZ A 29 . HZ 1 1 229 1 1 1 1 21 CYS HB3 A 21 . HB1 1 1 229 1 2 1 1 48 CYS H A 48 . HN 1 1 230 1 1 1 1 21 CYS HB3 A 21 . HB1 1 1 230 1 2 1 1 48 CYS HB3 A 48 . HB1 1 1 231 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 231 1 2 1 1 25 CYS H A 25 . HN 1 1 232 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 232 1 2 1 1 26 ASP H A 26 . HN 1 1 233 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 233 1 2 1 1 26 ASP HA A 26 . HA 1 1 234 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 234 1 2 1 1 27 GLU H A 27 . HN 1 1 235 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 235 1 2 1 1 29 PHE HE2 A 29 . HE1 1 1 236 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 236 1 2 1 1 29 PHE HZ A 29 . HZ 1 1 237 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 237 1 2 1 1 47 ILE HA A 47 . HA 1 1 238 1 1 1 1 21 CYS HB2 A 21 . HB2 1 1 238 1 2 1 1 48 CYS HB3 A 48 . HB1 1 1 239 1 1 1 1 21 CYS H A 21 . HN 1 1 239 1 2 1 1 21 CYS HB3 A 21 . HB1 1 1 240 1 1 1 1 21 CYS H A 21 . HN 1 1 240 1 2 1 1 21 CYS HB2 A 21 . HB2 1 1 241 1 1 1 1 21 CYS H A 21 . HN 1 1 241 1 2 1 1 26 ASP HA A 26 . HA 1 1 242 1 1 1 1 21 CYS H A 21 . HN 1 1 242 1 2 1 1 27 GLU H A 27 . HN 1 1 243 1 1 1 1 21 CYS H A 21 . HN 1 1 243 1 2 1 1 29 PHE QD A 29 . HD# 1 1 244 1 1 1 1 21 CYS H A 21 . HN 1 1 244 1 2 1 1 29 PHE H A 29 . HN 1 1 245 1 1 1 1 21 CYS H A 21 . HN 1 1 245 1 2 1 1 29 PHE HZ A 29 . HZ 1 1 246 1 1 1 1 22 ASP HA A 22 . HA 1 1 246 1 2 1 1 23 GLY H A 23 . HN 1 1 247 1 1 1 1 22 ASP HB3 A 22 . HB1 1 1 247 1 2 1 1 45 ASP HB2 A 45 . HB2 1 1 248 1 1 1 1 22 ASP HB3 A 22 . HB1 1 1 248 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 249 1 1 1 1 22 ASP HB2 A 22 . HB2 1 1 249 1 2 1 1 23 GLY H A 23 . HN 1 1 250 1 1 1 1 22 ASP HB2 A 22 . HB2 1 1 250 1 2 1 1 45 ASP HB2 A 45 . HB2 1 1 251 1 1 1 1 22 ASP HB2 A 22 . HB2 1 1 251 1 2 1 1 46 TYR H A 46 . HN 1 1 252 1 1 1 1 22 ASP HB2 A 22 . HB2 1 1 252 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 253 1 1 1 1 22 ASP H A 22 . HN 1 1 253 1 2 1 1 22 ASP HB2 A 22 . HB2 1 1 254 1 1 1 1 22 ASP H A 22 . HN 1 1 254 1 2 1 1 23 GLY H A 23 . HN 1 1 255 1 1 1 1 22 ASP H A 22 . HN 1 1 255 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 256 1 1 1 1 22 ASP H A 22 . HN 1 1 256 1 2 1 1 46 TYR H A 46 . HN 1 1 257 1 1 1 1 22 ASP H A 22 . HN 1 1 257 1 2 1 1 47 ILE H A 47 . HN 1 1 258 1 1 1 1 22 ASP H A 22 . HN 1 1 258 1 2 1 1 47 ILE HA A 47 . HA 1 1 259 1 1 1 1 22 ASP H A 22 . HN 1 1 259 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 260 1 1 1 1 22 ASP H A 22 . HN 1 1 260 1 2 1 1 47 ILE QG A 47 . HG1# 1 1 261 1 1 1 1 22 ASP H A 22 . HN 1 1 261 1 2 1 1 48 CYS H A 48 . HN 1 1 262 1 1 1 1 23 GLY HA3 A 23 . HA1 1 1 262 1 2 1 1 24 GLY H A 24 . HN 1 1 263 1 1 1 1 23 GLY HA3 A 23 . HA1 1 1 263 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 264 1 1 1 1 23 GLY HA3 A 23 . HA1 1 1 264 1 2 1 1 47 ILE MG A 47 . HG2# 1 1 265 1 1 1 1 23 GLY HA3 A 23 . HA1 1 1 265 1 2 1 1 48 CYS H A 48 . HN 1 1 266 1 1 1 1 23 GLY HA3 A 23 . HA1 1 1 266 1 2 1 1 51 CYS HB2 A 51 . HB2 1 1 267 1 1 1 1 23 GLY HA3 A 23 . HA1 1 1 267 1 2 1 1 51 CYS HB3 A 51 . HB1 1 1 268 1 1 1 1 23 GLY H A 23 . HN 1 1 268 1 2 1 1 24 GLY H A 24 . HN 1 1 269 1 1 1 1 23 GLY H A 23 . HN 1 1 269 1 2 1 1 26 ASP H A 26 . HN 1 1 270 1 1 1 1 23 GLY H A 23 . HN 1 1 270 1 2 1 1 47 ILE HA A 47 . HA 1 1 271 1 1 1 1 23 GLY H A 23 . HN 1 1 271 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 272 1 1 1 1 23 GLY H A 23 . HN 1 1 272 1 2 1 1 48 CYS H A 48 . HN 1 1 273 1 1 1 1 24 GLY HA3 A 24 . HA1 1 1 273 1 2 1 1 25 CYS H A 25 . HN 1 1 274 1 1 1 1 24 GLY H A 24 . HN 1 1 274 1 2 1 1 25 CYS H A 25 . HN 1 1 275 1 1 1 1 24 GLY H A 24 . HN 1 1 275 1 2 1 1 26 ASP H A 26 . HN 1 1 276 1 1 1 1 24 GLY H A 24 . HN 1 1 276 1 2 1 1 51 CYS HB3 A 51 . HB1 1 1 277 1 1 1 1 25 CYS HB3 A 25 . HB1 1 1 277 1 2 1 1 26 ASP H A 26 . HN 1 1 278 1 1 1 1 25 CYS HB3 A 25 . HB1 1 1 278 1 2 1 1 27 GLU H A 27 . HN 1 1 279 1 1 1 1 25 CYS HB3 A 25 . HB1 1 1 279 1 2 1 1 50 ASN HB3 A 50 . HB1 1 1 280 1 1 1 1 25 CYS H A 25 . HN 1 1 280 1 2 1 1 25 CYS HB3 A 25 . HB1 1 1 281 1 1 1 1 25 CYS H A 25 . HN 1 1 281 1 2 1 1 25 CYS HB2 A 25 . HB2 1 1 282 1 1 1 1 25 CYS H A 25 . HN 1 1 282 1 2 1 1 26 ASP H A 26 . HN 1 1 283 1 1 1 1 25 CYS H A 25 . HN 1 1 283 1 2 1 1 51 CYS HB3 A 51 . HB1 1 1 284 1 1 1 1 26 ASP HA A 26 . HA 1 1 284 1 2 1 1 27 GLU H A 27 . HN 1 1 285 1 1 1 1 26 ASP H A 26 . HN 1 1 285 1 2 1 1 27 GLU H A 27 . HN 1 1 286 1 1 1 1 27 GLU HA A 27 . HA 1 1 286 1 2 1 1 28 TRP HD1 A 28 . HD1 1 1 287 1 1 1 1 27 GLU HA A 27 . HA 1 1 287 1 2 1 1 28 TRP H A 28 . HN 1 1 288 1 1 1 1 27 GLU HB3 A 27 . HB1 1 1 288 1 2 1 1 28 TRP H A 28 . HN 1 1 289 1 1 1 1 27 GLU HB2 A 27 . HB2 1 1 289 1 2 1 1 28 TRP H A 28 . HN 1 1 290 1 1 1 1 27 GLU HG2 A 27 . HG2 1 1 290 1 2 1 1 28 TRP H A 28 . HN 1 1 291 1 1 1 1 27 GLU H A 27 . HN 1 1 291 1 2 1 1 27 GLU HB3 A 27 . HB1 1 1 292 1 1 1 1 27 GLU H A 27 . HN 1 1 292 1 2 1 1 27 GLU HB2 A 27 . HB2 1 1 293 1 1 1 1 27 GLU H A 27 . HN 1 1 293 1 2 1 1 27 GLU HG3 A 27 . HG1 1 1 294 1 1 1 1 27 GLU H A 27 . HN 1 1 294 1 2 1 1 27 GLU HG2 A 27 . HG2 1 1 295 1 1 1 1 27 GLU H A 27 . HN 1 1 295 1 2 1 1 28 TRP H A 28 . HN 1 1 296 1 1 1 1 27 GLU H A 27 . HN 1 1 296 1 2 1 1 29 PHE HZ A 29 . HZ 1 1 297 1 1 1 1 28 TRP HA A 28 . HA 1 1 297 1 2 1 1 28 TRP HE3 A 28 . HE3 1 1 298 1 1 1 1 28 TRP HA A 28 . HA 1 1 298 1 2 1 1 29 PHE H A 29 . HN 1 1 299 1 1 1 1 28 TRP HB3 A 28 . HB1 1 1 299 1 2 1 1 29 PHE H A 29 . HN 1 1 300 1 1 1 1 28 TRP HE3 A 28 . HE3 1 1 300 1 2 1 1 29 PHE H A 29 . HN 1 1 301 1 1 1 1 28 TRP HH2 A 28 . HH2 1 1 301 1 2 2 2 2 ARG H B 303 . HN 1 1 302 1 1 1 1 28 TRP HH2 A 28 . HH2 1 1 302 1 2 2 2 3 THR H B 304 . HN 1 1 303 1 1 1 1 28 TRP H A 28 . HN 1 1 303 1 2 1 1 28 TRP HB2 A 28 . HB2 1 1 304 1 1 1 1 28 TRP H A 28 . HN 1 1 304 1 2 1 1 28 TRP HD1 A 28 . HD1 1 1 305 1 1 1 1 28 TRP H A 28 . HN 1 1 305 1 2 1 1 29 PHE H A 29 . HN 1 1 306 1 1 1 1 28 TRP HZ3 A 28 . HZ3 1 1 306 1 2 2 2 2 ARG HA B 303 . HA 1 1 307 1 1 1 1 28 TRP HZ3 A 28 . HZ3 1 1 307 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 308 1 1 1 1 28 TRP HZ3 A 28 . HZ3 1 1 308 1 2 2 2 3 THR H B 304 . HN 1 1 309 1 1 1 1 29 PHE HA A 29 . HA 1 1 309 1 2 1 1 30 HIS H A 30 . HN 1 1 310 1 1 1 1 29 PHE HB3 A 29 . HB1 1 1 310 1 2 1 1 30 HIS H A 30 . HN 1 1 311 1 1 1 1 29 PHE HB3 A 29 . HB1 1 1 311 1 2 1 1 34 VAL MG1 A 34 . HG1# 1 1 312 1 1 1 1 29 PHE HB3 A 29 . HB1 1 1 312 1 2 1 1 34 VAL MG2 A 34 . HG2# 1 1 313 1 1 1 1 29 PHE HB2 A 29 . HB2 1 1 313 1 2 1 1 34 VAL MG2 A 34 . HG2# 1 1 314 1 1 1 1 29 PHE QD A 29 . HD# 1 1 314 1 2 1 1 30 HIS H A 30 . HN 1 1 315 1 1 1 1 29 PHE QD A 29 . HD# 1 1 315 1 2 1 1 34 VAL MG1 A 34 . HG1# 1 1 316 1 1 1 1 29 PHE QD A 29 . HD# 1 1 316 1 2 1 1 46 TYR HE2 A 46 . HE1 1 1 317 1 1 1 1 29 PHE HE2 A 29 . HE1 1 1 317 1 2 1 1 34 VAL HB A 34 . HB 1 1 318 1 1 1 1 29 PHE HE2 A 29 . HE1 1 1 318 1 2 1 1 34 VAL MG2 A 34 . HG2# 1 1 319 1 1 1 1 29 PHE HE2 A 29 . HE1 1 1 319 1 2 1 1 48 CYS HB3 A 48 . HB1 1 1 320 1 1 1 1 29 PHE HE2 A 29 . HE1 1 1 320 1 2 1 1 48 CYS H A 48 . HN 1 1 321 1 1 1 1 29 PHE H A 29 . HN 1 1 321 1 2 1 1 29 PHE HB2 A 29 . HB2 1 1 322 1 1 1 1 29 PHE H A 29 . HN 1 1 322 1 2 1 1 29 PHE QD A 29 . HD# 1 1 323 1 1 1 1 29 PHE HZ A 29 . HZ 1 1 323 1 2 1 1 34 VAL MG2 A 34 . HG2# 1 1 324 1 1 1 1 29 PHE HZ A 29 . HZ 1 1 324 1 2 1 1 46 TYR HE2 A 46 . HE1 1 1 325 1 1 1 1 29 PHE HZ A 29 . HZ 1 1 325 1 2 1 1 48 CYS HA A 48 . HA 1 1 326 1 1 1 1 29 PHE HZ A 29 . HZ 1 1 326 1 2 1 1 48 CYS H A 48 . HN 1 1 327 1 1 1 1 30 HIS HA A 30 . HA 1 1 327 1 2 1 1 31 GLN H A 31 . HN 1 1 328 1 1 1 1 30 HIS HA A 30 . HA 1 1 328 1 2 1 1 32 VAL H A 32 . HN 1 1 329 1 1 1 1 30 HIS HB3 A 30 . HB1 1 1 329 1 2 1 1 31 GLN H A 31 . HN 1 1 330 1 1 1 1 30 HIS HB3 A 30 . HB1 1 1 330 1 2 1 1 32 VAL MG1 A 32 . HG1# 1 1 331 1 1 1 1 30 HIS HB3 A 30 . HB1 1 1 331 1 2 1 1 33 CYS HB3 A 33 . HB1 1 1 332 1 1 1 1 30 HIS HB3 A 30 . HB1 1 1 332 1 2 1 1 33 CYS H A 33 . HN 1 1 333 1 1 1 1 30 HIS HB2 A 30 . HB2 1 1 333 1 2 1 1 31 GLN H A 31 . HN 1 1 334 1 1 1 1 30 HIS HB2 A 30 . HB2 1 1 334 1 2 1 1 32 VAL MG2 A 32 . HG2# 1 1 335 1 1 1 1 30 HIS HB2 A 30 . HB2 1 1 335 1 2 1 1 32 VAL H A 32 . HN 1 1 336 1 1 1 1 30 HIS HB2 A 30 . HB2 1 1 336 1 2 1 1 33 CYS H A 33 . HN 1 1 337 1 1 1 1 30 HIS HB2 A 30 . HB2 1 1 337 1 2 1 1 34 VAL H A 34 . HN 1 1 338 1 1 1 1 30 HIS H A 30 . HN 1 1 338 1 2 1 1 30 HIS HB2 A 30 . HB2 1 1 339 1 1 1 1 30 HIS H A 30 . HN 1 1 339 1 2 1 1 33 CYS HB3 A 33 . HB1 1 1 340 1 1 1 1 30 HIS H A 30 . HN 1 1 340 1 2 1 1 33 CYS HB2 A 33 . HB2 1 1 341 1 1 1 1 30 HIS H A 30 . HN 1 1 341 1 2 1 1 33 CYS H A 33 . HN 1 1 342 1 1 1 1 30 HIS H A 30 . HN 1 1 342 1 2 1 1 34 VAL H A 34 . HN 1 1 343 1 1 1 1 31 GLN HA A 31 . HA 1 1 343 1 2 1 1 31 GLN HG2 A 31 . HG2 1 1 344 1 1 1 1 31 GLN HA A 31 . HA 1 1 344 1 2 1 1 32 VAL H A 32 . HN 1 1 345 1 1 1 1 31 GLN HA A 31 . HA 1 1 345 1 2 1 1 34 VAL MG1 A 34 . HG1# 1 1 346 1 1 1 1 31 GLN HA A 31 . HA 1 1 346 1 2 1 1 34 VAL H A 34 . HN 1 1 347 1 1 1 1 31 GLN HA A 31 . HA 1 1 347 1 2 1 1 36 VAL MG2 A 36 . HG2# 1 1 348 1 1 1 1 31 GLN HA A 31 . HA 1 1 348 1 2 1 1 36 VAL H A 36 . HN 1 1 349 1 1 1 1 31 GLN HB3 A 31 . HB1 1 1 349 1 2 1 1 32 VAL H A 32 . HN 1 1 350 1 1 1 1 31 GLN HB3 A 31 . HB1 1 1 350 1 2 1 1 36 VAL MG2 A 36 . HG2# 1 1 351 1 1 1 1 31 GLN HB2 A 31 . HB2 1 1 351 1 2 1 1 32 VAL H A 32 . HN 1 1 352 1 1 1 1 31 GLN QE A 31 . HE22 1 1 352 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 353 1 1 1 1 31 GLN QE A 31 . HE22 1 1 353 1 2 2 2 3 THR H B 304 . HN 1 1 354 1 1 1 1 31 GLN QE A 31 . HE22 1 1 354 1 2 1 1 41 ALA MB A 41 . HB# 1 1 355 1 1 1 1 31 GLN HG2 A 31 . HG2 1 1 355 1 2 1 1 34 VAL MG1 A 34 . HG1# 1 1 356 1 1 1 1 31 GLN H A 31 . HN 1 1 356 1 2 1 1 31 GLN HB2 A 31 . HB2 1 1 357 1 1 1 1 31 GLN H A 31 . HN 1 1 357 1 2 1 1 31 GLN HG3 A 31 . HG1 1 1 358 1 1 1 1 31 GLN H A 31 . HN 1 1 358 1 2 1 1 32 VAL MG2 A 32 . HG2# 1 1 359 1 1 1 1 31 GLN H A 31 . HN 1 1 359 1 2 1 1 32 VAL H A 32 . HN 1 1 360 1 1 1 1 31 GLN H A 31 . HN 1 1 360 1 2 1 1 36 VAL MG1 A 36 . HG1# 1 1 361 1 1 1 1 31 GLN H A 31 . HN 1 1 361 1 2 1 1 36 VAL MG2 A 36 . HG2# 1 1 362 1 1 1 1 32 VAL HA A 32 . HA 1 1 362 1 2 1 1 33 CYS H A 33 . HN 1 1 363 1 1 1 1 32 VAL HA A 32 . HA 1 1 363 1 2 1 1 35 GLY H A 35 . HN 1 1 364 1 1 1 1 32 VAL HB A 32 . HB 1 1 364 1 2 1 1 33 CYS H A 33 . HN 1 1 365 1 1 1 1 32 VAL HB A 32 . HB 1 1 365 1 2 1 1 35 GLY H A 35 . HN 1 1 366 1 1 1 1 32 VAL MG2 A 32 . HG2# 1 1 366 1 2 1 1 33 CYS H A 33 . HN 1 1 367 1 1 1 1 32 VAL MG2 A 32 . HG2# 1 1 367 1 2 1 1 34 VAL H A 34 . HN 1 1 368 1 1 1 1 32 VAL H A 32 . HN 1 1 368 1 2 1 1 32 VAL HB A 32 . HB 1 1 369 1 1 1 1 32 VAL H A 32 . HN 1 1 369 1 2 1 1 32 VAL MG1 A 32 . HG1# 1 1 370 1 1 1 1 32 VAL H A 32 . HN 1 1 370 1 2 1 1 32 VAL MG2 A 32 . HG2# 1 1 371 1 1 1 1 32 VAL H A 32 . HN 1 1 371 1 2 1 1 33 CYS H A 33 . HN 1 1 372 1 1 1 1 33 CYS HA A 33 . HA 1 1 372 1 2 1 1 34 VAL H A 34 . HN 1 1 373 1 1 1 1 33 CYS HB3 A 33 . HB1 1 1 373 1 2 1 1 34 VAL H A 34 . HN 1 1 374 1 1 1 1 33 CYS HB2 A 33 . HB2 1 1 374 1 2 1 1 34 VAL H A 34 . HN 1 1 375 1 1 1 1 33 CYS H A 33 . HN 1 1 375 1 2 1 1 33 CYS HB3 A 33 . HB1 1 1 376 1 1 1 1 33 CYS H A 33 . HN 1 1 376 1 2 1 1 34 VAL H A 34 . HN 1 1 377 1 1 1 1 33 CYS H A 33 . HN 1 1 377 1 2 1 1 35 GLY H A 35 . HN 1 1 378 1 1 1 1 34 VAL HA A 34 . HA 1 1 378 1 2 1 1 35 GLY H A 35 . HN 1 1 379 1 1 1 1 34 VAL HB A 34 . HB 1 1 379 1 2 1 1 35 GLY H A 35 . HN 1 1 380 1 1 1 1 34 VAL MG1 A 34 . HG1# 1 1 380 1 2 1 1 35 GLY H A 35 . HN 1 1 381 1 1 1 1 34 VAL MG1 A 34 . HG1# 1 1 381 1 2 1 1 36 VAL H A 36 . HN 1 1 382 1 1 1 1 34 VAL MG1 A 34 . HG1# 1 1 382 1 2 1 1 46 TYR HE2 A 46 . HE1 1 1 383 1 1 1 1 34 VAL MG1 A 34 . HG1# 1 1 383 1 2 1 1 48 CYS HB3 A 48 . HB1 1 1 384 1 1 1 1 34 VAL MG1 A 34 . HG1# 1 1 384 1 2 1 1 34 VAL MG2 A 34 . HG2# 1 1 385 1 1 1 1 34 VAL H A 34 . HN 1 1 385 1 2 1 1 34 VAL MG1 A 34 . HG1# 1 1 386 1 1 1 1 34 VAL H A 34 . HN 1 1 386 1 2 1 1 34 VAL MG2 A 34 . HG2# 1 1 387 1 1 1 1 34 VAL H A 34 . HN 1 1 387 1 2 1 1 35 GLY HA3 A 35 . HA1 1 1 388 1 1 1 1 34 VAL H A 34 . HN 1 1 388 1 2 1 1 35 GLY H A 35 . HN 1 1 389 1 1 1 1 35 GLY HA3 A 35 . HA1 1 1 389 1 2 1 1 36 VAL H A 36 . HN 1 1 390 1 1 1 1 35 GLY H A 35 . HN 1 1 390 1 2 1 1 36 VAL MG2 A 36 . HG2# 1 1 391 1 1 1 1 36 VAL HA A 36 . HA 1 1 391 1 2 1 1 36 VAL MG2 A 36 . HG2# 1 1 392 1 1 1 1 36 VAL HA A 36 . HA 1 1 392 1 2 1 1 37 SER H A 37 . HN 1 1 393 1 1 1 1 36 VAL HA A 36 . HA 1 1 393 1 2 1 1 40 MET HB2 A 40 . HB2 1 1 394 1 1 1 1 36 VAL HB A 36 . HB 1 1 394 1 2 1 1 37 SER H A 37 . HN 1 1 395 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 395 1 2 1 1 37 SER H A 37 . HN 1 1 396 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 396 1 2 1 1 40 MET HB2 A 40 . HB2 1 1 397 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 397 1 2 1 1 40 MET H A 40 . HN 1 1 398 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 398 1 2 1 1 41 ALA HA A 41 . HA 1 1 399 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 399 1 2 1 1 41 ALA MB A 41 . HB# 1 1 400 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 400 1 2 1 1 41 ALA H A 41 . HN 1 1 401 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 401 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 402 1 1 1 1 36 VAL MG1 A 36 . HG1# 1 1 402 1 2 1 1 46 TYR HE2 A 46 . HE1 1 1 403 1 1 1 1 36 VAL MG2 A 36 . HG2# 1 1 403 1 2 1 1 41 ALA MB A 41 . HB# 1 1 404 1 1 1 1 36 VAL MG2 A 36 . HG2# 1 1 404 1 2 1 1 41 ALA H A 41 . HN 1 1 405 1 1 1 1 36 VAL MG2 A 36 . HG2# 1 1 405 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 406 1 1 1 1 36 VAL MG2 A 36 . HG2# 1 1 406 1 2 1 1 46 TYR HE2 A 46 . HE1 1 1 407 1 1 1 1 36 VAL H A 36 . HN 1 1 407 1 2 1 1 36 VAL HB A 36 . HB 1 1 408 1 1 1 1 36 VAL H A 36 . HN 1 1 408 1 2 1 1 36 VAL MG2 A 36 . HG2# 1 1 409 1 1 1 1 36 VAL H A 36 . HN 1 1 409 1 2 1 1 37 SER H A 37 . HN 1 1 410 1 1 1 1 37 SER HA A 37 . HA 1 1 410 1 2 1 1 38 PRO HD2 A 38 . HD2 1 1 411 1 1 1 1 37 SER HA A 37 . HA 1 1 411 1 2 1 1 39 GLU H A 39 . HN 1 1 412 1 1 1 1 37 SER HA A 37 . HA 1 1 412 1 2 1 1 40 MET H A 40 . HN 1 1 413 1 1 1 1 37 SER HB3 A 37 . HB1 1 1 413 1 2 1 1 40 MET HB2 A 40 . HB2 1 1 414 1 1 1 1 37 SER HB3 A 37 . HB1 1 1 414 1 2 1 1 40 MET H A 40 . HN 1 1 415 1 1 1 1 37 SER HB2 A 37 . HB2 1 1 415 1 2 1 1 38 PRO HD2 A 38 . HD2 1 1 416 1 1 1 1 37 SER HB2 A 37 . HB2 1 1 416 1 2 1 1 39 GLU H A 39 . HN 1 1 417 1 1 1 1 37 SER HB2 A 37 . HB2 1 1 417 1 2 1 1 40 MET HB2 A 40 . HB2 1 1 418 1 1 1 1 37 SER H A 37 . HN 1 1 418 1 2 1 1 37 SER HB3 A 37 . HB1 1 1 419 1 1 1 1 37 SER H A 37 . HN 1 1 419 1 2 1 1 37 SER HB2 A 37 . HB2 1 1 420 1 1 1 1 37 SER H A 37 . HN 1 1 420 1 2 1 1 40 MET HB2 A 40 . HB2 1 1 421 1 1 1 1 37 SER H A 37 . HN 1 1 421 1 2 1 1 40 MET HG2 A 40 . HG2 1 1 422 1 1 1 1 38 PRO HA A 38 . HA 1 1 422 1 2 1 1 39 GLU H A 39 . HN 1 1 423 1 1 1 1 38 PRO HA A 38 . HA 1 1 423 1 2 1 1 41 ALA MB A 41 . HB# 1 1 424 1 1 1 1 38 PRO HA A 38 . HA 1 1 424 1 2 1 1 41 ALA H A 41 . HN 1 1 425 1 1 1 1 38 PRO HA A 38 . HA 1 1 425 1 2 1 1 42 GLU H A 42 . HN 1 1 426 1 1 1 1 38 PRO HB3 A 38 . HB1 1 1 426 1 2 1 1 39 GLU H A 39 . HN 1 1 427 1 1 1 1 38 PRO HB2 A 38 . HB2 1 1 427 1 2 1 1 39 GLU H A 39 . HN 1 1 428 1 1 1 1 38 PRO HD3 A 38 . HD1 1 1 428 1 2 1 1 39 GLU H A 39 . HN 1 1 429 1 1 1 1 38 PRO HD2 A 38 . HD2 1 1 429 1 2 1 1 39 GLU H A 39 . HN 1 1 430 1 1 1 1 38 PRO HA A 38 . HA 1 1 430 1 2 1 1 38 PRO HG2 A 38 . HG2 1 1 431 1 1 1 1 38 PRO HG2 A 38 . HG2 1 1 431 1 2 1 1 39 GLU H A 39 . HN 1 1 432 1 1 1 1 39 GLU HA A 39 . HA 1 1 432 1 2 1 1 40 MET H A 40 . HN 1 1 433 1 1 1 1 39 GLU HA A 39 . HA 1 1 433 1 2 1 1 41 ALA H A 41 . HN 1 1 434 1 1 1 1 39 GLU HA A 39 . HA 1 1 434 1 2 1 1 42 GLU H A 42 . HN 1 1 435 1 1 1 1 39 GLU HA A 39 . HA 1 1 435 1 2 1 1 43 ASN H A 43 . HN 1 1 436 1 1 1 1 39 GLU HB2 A 39 . HB2 1 1 436 1 2 1 1 40 MET H A 40 . HN 1 1 437 1 1 1 1 39 GLU HG3 A 39 . HG1 1 1 437 1 2 1 1 40 MET H A 40 . HN 1 1 438 1 1 1 1 39 GLU HG2 A 39 . HG2 1 1 438 1 2 1 1 40 MET H A 40 . HN 1 1 439 1 1 1 1 39 GLU H A 39 . HN 1 1 439 1 2 1 1 39 GLU HB3 A 39 . HB1 1 1 440 1 1 1 1 39 GLU H A 39 . HN 1 1 440 1 2 1 1 39 GLU HB2 A 39 . HB2 1 1 441 1 1 1 1 39 GLU H A 39 . HN 1 1 441 1 2 1 1 39 GLU HG3 A 39 . HG1 1 1 442 1 1 1 1 39 GLU H A 39 . HN 1 1 442 1 2 1 1 39 GLU HG2 A 39 . HG2 1 1 443 1 1 1 1 39 GLU H A 39 . HN 1 1 443 1 2 1 1 40 MET H A 40 . HN 1 1 444 1 1 1 1 39 GLU H A 39 . HN 1 1 444 1 2 1 1 41 ALA H A 41 . HN 1 1 445 1 1 1 1 40 MET HA A 40 . HA 1 1 445 1 2 1 1 41 ALA H A 41 . HN 1 1 446 1 1 1 1 40 MET HA A 40 . HA 1 1 446 1 2 1 1 43 ASN H A 43 . HN 1 1 447 1 1 1 1 40 MET HA A 40 . HA 1 1 447 1 2 1 1 44 GLU H A 44 . HN 1 1 448 1 1 1 1 40 MET HB2 A 40 . HB2 1 1 448 1 2 1 1 41 ALA H A 41 . HN 1 1 449 1 1 1 1 40 MET H A 40 . HN 1 1 449 1 2 1 1 40 MET HB2 A 40 . HB2 1 1 450 1 1 1 1 40 MET H A 40 . HN 1 1 450 1 2 1 1 41 ALA MB A 41 . HB# 1 1 451 1 1 1 1 40 MET H A 40 . HN 1 1 451 1 2 1 1 41 ALA H A 41 . HN 1 1 452 1 1 1 1 41 ALA HA A 41 . HA 1 1 452 1 2 1 1 42 GLU H A 42 . HN 1 1 453 1 1 1 1 41 ALA HA A 41 . HA 1 1 453 1 2 1 1 44 GLU H A 44 . HN 1 1 454 1 1 1 1 41 ALA MB A 41 . HB# 1 1 454 1 2 1 1 42 GLU H A 42 . HN 1 1 455 1 1 1 1 41 ALA MB A 41 . HB# 1 1 455 1 2 1 1 43 ASN H A 43 . HN 1 1 456 1 1 1 1 41 ALA H A 41 . HN 1 1 456 1 2 1 1 41 ALA MB A 41 . HB# 1 1 457 1 1 1 1 41 ALA H A 41 . HN 1 1 457 1 2 1 1 42 GLU QB A 42 . HB2 1 1 458 1 1 1 1 41 ALA H A 41 . HN 1 1 458 1 2 1 1 42 GLU H A 42 . HN 1 1 459 1 1 1 1 42 GLU HA A 42 . HA 1 1 459 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 460 1 1 1 1 42 GLU QB A 42 . HB2 1 1 460 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 461 1 1 1 1 42 GLU QB A 42 . HB2 1 1 461 1 2 1 1 43 ASN H A 43 . HN 1 1 462 1 1 1 1 42 GLU QG A 42 . HG1 1 1 462 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 463 1 1 1 1 42 GLU H A 42 . HN 1 1 463 1 2 1 1 42 GLU QB A 42 . HB2 1 1 464 1 1 1 1 42 GLU H A 42 . HN 1 1 464 1 2 1 1 42 GLU QG A 42 . HG2 1 1 465 1 1 1 1 42 GLU H A 42 . HN 1 1 465 1 2 1 1 43 ASN H A 43 . HN 1 1 466 1 1 1 1 43 ASN HA A 43 . HA 1 1 466 1 2 1 1 44 GLU H A 44 . HN 1 1 467 1 1 1 1 43 ASN HB3 A 43 . HB1 1 1 467 1 2 1 1 44 GLU HA A 44 . HA 1 1 468 1 1 1 1 43 ASN HB2 A 43 . HB2 1 1 468 1 2 1 1 43 ASN HD22 A 43 . HD22 1 1 469 1 1 1 1 43 ASN HB2 A 43 . HB2 1 1 469 1 2 1 1 44 GLU H A 44 . HN 1 1 470 1 1 1 1 43 ASN H A 43 . HN 1 1 470 1 2 1 1 43 ASN HB3 A 43 . HB1 1 1 471 1 1 1 1 43 ASN H A 43 . HN 1 1 471 1 2 1 1 43 ASN HB2 A 43 . HB2 1 1 472 1 1 1 1 43 ASN H A 43 . HN 1 1 472 1 2 1 1 44 GLU H A 44 . HN 1 1 473 1 1 1 1 44 GLU HA A 44 . HA 1 1 473 1 2 1 1 44 GLU HG3 A 44 . HG1 1 1 474 1 1 1 1 44 GLU HA A 44 . HA 1 1 474 1 2 1 1 44 GLU HG2 A 44 . HG2 1 1 475 1 1 1 1 44 GLU HA A 44 . HA 1 1 475 1 2 1 1 45 ASP H A 45 . HN 1 1 476 1 1 1 1 44 GLU HB3 A 44 . HB1 1 1 476 1 2 1 1 45 ASP H A 45 . HN 1 1 477 1 1 1 1 44 GLU HB2 A 44 . HB2 1 1 477 1 2 1 1 45 ASP H A 45 . HN 1 1 478 1 1 1 1 44 GLU HG3 A 44 . HG1 1 1 478 1 2 1 1 45 ASP H A 45 . HN 1 1 479 1 1 1 1 44 GLU HG2 A 44 . HG2 1 1 479 1 2 1 1 45 ASP H A 45 . HN 1 1 480 1 1 1 1 44 GLU H A 44 . HN 1 1 480 1 2 1 1 44 GLU HB3 A 44 . HB1 1 1 481 1 1 1 1 44 GLU H A 44 . HN 1 1 481 1 2 1 1 44 GLU HB2 A 44 . HB2 1 1 482 1 1 1 1 44 GLU H A 44 . HN 1 1 482 1 2 1 1 44 GLU HG3 A 44 . HG1 1 1 483 1 1 1 1 44 GLU H A 44 . HN 1 1 483 1 2 1 1 44 GLU HG2 A 44 . HG2 1 1 484 1 1 1 1 44 GLU H A 44 . HN 1 1 484 1 2 1 1 45 ASP H A 45 . HN 1 1 485 1 1 1 1 45 ASP HA A 45 . HA 1 1 485 1 2 1 1 46 TYR H A 46 . HN 1 1 486 1 1 1 1 45 ASP HB2 A 45 . HB2 1 1 486 1 2 1 1 46 TYR H A 46 . HN 1 1 487 1 1 1 1 45 ASP HB2 A 45 . HB2 1 1 487 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 488 1 1 1 1 45 ASP H A 45 . HN 1 1 488 1 2 1 1 45 ASP HB2 A 45 . HB2 1 1 489 1 1 1 1 45 ASP H A 45 . HN 1 1 489 1 2 1 1 46 TYR H A 46 . HN 1 1 490 1 1 1 1 46 TYR HA A 46 . HA 1 1 490 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 491 1 1 1 1 46 TYR HA A 46 . HA 1 1 491 1 2 1 1 47 ILE H A 47 . HN 1 1 492 1 1 1 1 46 TYR HB3 A 46 . HB1 1 1 492 1 2 1 1 47 ILE H A 47 . HN 1 1 493 1 1 1 1 46 TYR HB2 A 46 . HB2 1 1 493 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 494 1 1 1 1 46 TYR HD2 A 46 . HD1 1 1 494 1 2 1 1 47 ILE H A 47 . HN 1 1 495 1 1 1 1 46 TYR H A 46 . HN 1 1 495 1 2 1 1 46 TYR HB2 A 46 . HB2 1 1 496 1 1 1 1 46 TYR H A 46 . HN 1 1 496 1 2 1 1 46 TYR HD2 A 46 . HD1 1 1 497 1 1 1 1 46 TYR H A 46 . HN 1 1 497 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 498 1 1 1 1 47 ILE HA A 47 . HA 1 1 498 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 499 1 1 1 1 47 ILE HA A 47 . HA 1 1 499 1 2 1 1 47 ILE MG A 47 . HG2# 1 1 500 1 1 1 1 47 ILE HA A 47 . HA 1 1 500 1 2 1 1 48 CYS H A 48 . HN 1 1 501 1 1 1 1 47 ILE MG A 47 . HG2# 1 1 501 1 2 1 1 48 CYS H A 48 . HN 1 1 502 1 1 1 1 47 ILE MG A 47 . HG2# 1 1 502 1 2 1 1 51 CYS H A 51 . HN 1 1 503 1 1 1 1 47 ILE MG A 47 . HG2# 1 1 503 1 2 1 1 51 CYS HB2 A 51 . HB2 1 1 504 1 1 1 1 47 ILE MG A 47 . HG2# 1 1 504 1 2 1 1 51 CYS HB3 A 51 . HB1 1 1 505 1 1 1 1 47 ILE MG A 47 . HG2# 1 1 505 1 2 1 1 52 ALA HA A 52 . HA 1 1 506 1 1 1 1 47 ILE MG A 47 . HG2# 1 1 506 1 2 1 1 52 ALA H A 52 . HN 1 1 507 1 1 1 1 47 ILE H A 47 . HN 1 1 507 1 2 1 1 47 ILE HB A 47 . HB 1 1 508 1 1 1 1 47 ILE H A 47 . HN 1 1 508 1 2 1 1 47 ILE MD A 47 . HD1# 1 1 509 1 1 1 1 47 ILE H A 47 . HN 1 1 509 1 2 1 1 47 ILE HG13 A 47 . HG11 1 1 510 1 1 1 1 47 ILE H A 47 . HN 1 1 510 1 2 1 1 47 ILE HG12 A 47 . HG12 1 1 511 1 1 1 1 48 CYS HA A 48 . HA 1 1 511 1 2 1 1 49 ILE H A 49 . HN 1 1 512 1 1 1 1 48 CYS HB3 A 48 . HB1 1 1 512 1 2 1 1 49 ILE H A 49 . HN 1 1 513 1 1 1 1 48 CYS HB2 A 48 . HB2 1 1 513 1 2 1 1 49 ILE H A 49 . HN 1 1 514 1 1 1 1 48 CYS H A 48 . HN 1 1 514 1 2 1 1 48 CYS HB3 A 48 . HB1 1 1 515 1 1 1 1 48 CYS H A 48 . HN 1 1 515 1 2 1 1 48 CYS HB2 A 48 . HB2 1 1 516 1 1 1 1 48 CYS H A 48 . HN 1 1 516 1 2 1 1 49 ILE H A 49 . HN 1 1 517 1 1 1 1 49 ILE HA A 49 . HA 1 1 517 1 2 1 1 49 ILE HB A 49 . HB 1 1 518 1 1 1 1 49 ILE HA A 49 . HA 1 1 518 1 2 1 1 49 ILE HG13 A 49 . HG12 1 1 519 1 1 1 1 49 ILE HA A 49 . HA 1 1 519 1 2 1 1 50 ASN H A 50 . HN 1 1 520 1 1 1 1 49 ILE HA A 49 . HA 1 1 520 1 2 1 1 51 CYS H A 51 . HN 1 1 521 1 1 1 1 49 ILE HA A 49 . HA 1 1 521 1 2 1 1 52 ALA MB A 52 . HB# 1 1 522 1 1 1 1 49 ILE HA A 49 . HA 1 1 522 1 2 1 1 52 ALA H A 52 . HN 1 1 523 1 1 1 1 49 ILE HB A 49 . HB 1 1 523 1 2 1 1 49 ILE MD A 49 . HD1# 1 1 524 1 1 1 1 49 ILE HB A 49 . HB 1 1 524 1 2 1 1 50 ASN H A 50 . HN 1 1 525 1 1 1 1 49 ILE MD A 49 . HD1# 1 1 525 1 2 1 1 50 ASN H A 50 . HN 1 1 526 1 1 1 1 49 ILE MD A 49 . HD1# 1 1 526 1 2 1 1 51 CYS H A 51 . HN 1 1 527 1 1 1 1 49 ILE HG12 A 49 . HG11 1 1 527 1 2 1 1 50 ASN H A 50 . HN 1 1 528 1 1 1 1 49 ILE HG13 A 49 . HG12 1 1 528 1 2 1 1 50 ASN H A 50 . HN 1 1 529 1 1 1 1 49 ILE MG A 49 . HG2# 1 1 529 1 2 1 1 50 ASN H A 50 . HN 1 1 530 1 1 1 1 49 ILE H A 49 . HN 1 1 530 1 2 1 1 49 ILE HB A 49 . HB 1 1 531 1 1 1 1 49 ILE H A 49 . HN 1 1 531 1 2 1 1 49 ILE HG12 A 49 . HG11 1 1 532 1 1 1 1 49 ILE H A 49 . HN 1 1 532 1 2 1 1 49 ILE HG13 A 49 . HG12 1 1 533 1 1 1 1 49 ILE H A 49 . HN 1 1 533 1 2 1 1 49 ILE MG A 49 . HG2# 1 1 534 1 1 1 1 49 ILE H A 49 . HN 1 1 534 1 2 1 1 50 ASN H A 50 . HN 1 1 535 1 1 1 1 50 ASN HA A 50 . HA 1 1 535 1 2 1 1 51 CYS H A 51 . HN 1 1 536 1 1 1 1 50 ASN HB3 A 50 . HB1 1 1 536 1 2 1 1 50 ASN HD22 A 50 . HD22 1 1 537 1 1 1 1 50 ASN HB2 A 50 . HB2 1 1 537 1 2 1 1 51 CYS H A 51 . HN 1 1 538 1 1 1 1 50 ASN H A 50 . HN 1 1 538 1 2 1 1 50 ASN HB3 A 50 . HB1 1 1 539 1 1 1 1 50 ASN H A 50 . HN 1 1 539 1 2 1 1 50 ASN HD21 A 50 . HD21 1 1 540 1 1 1 1 50 ASN H A 50 . HN 1 1 540 1 2 1 1 50 ASN HD22 A 50 . HD22 1 1 541 1 1 1 1 50 ASN H A 50 . HN 1 1 541 1 2 1 1 51 CYS H A 51 . HN 1 1 542 1 1 1 1 50 ASN H A 50 . HN 1 1 542 1 2 1 1 51 CYS HA A 51 . HA 1 1 543 1 1 1 1 50 ASN H A 50 . HN 1 1 543 1 2 1 1 51 CYS HB2 A 51 . HB2 1 1 544 1 1 1 1 50 ASN H A 50 . HN 1 1 544 1 2 1 1 52 ALA H A 52 . HN 1 1 545 1 1 1 1 51 CYS HA A 51 . HA 1 1 545 1 2 1 1 52 ALA H A 52 . HN 1 1 546 1 1 1 1 51 CYS HB2 A 51 . HB2 1 1 546 1 2 1 1 52 ALA H A 52 . HN 1 1 547 1 1 1 1 51 CYS HB3 A 51 . HB1 1 1 547 1 2 1 1 52 ALA H A 52 . HN 1 1 548 1 1 1 1 51 CYS H A 51 . HN 1 1 548 1 2 1 1 51 CYS HB2 A 51 . HB2 1 1 549 1 1 1 1 51 CYS H A 51 . HN 1 1 549 1 2 1 1 51 CYS HB3 A 51 . HB1 1 1 550 1 1 1 1 51 CYS H A 51 . HN 1 1 550 1 2 1 1 52 ALA MB A 52 . HB# 1 1 551 1 1 1 1 51 CYS H A 51 . HN 1 1 551 1 2 1 1 52 ALA H A 52 . HN 1 1 552 1 1 1 1 52 ALA H A 52 . HN 1 1 552 1 2 1 1 52 ALA MB A 52 . HB# 1 1 553 1 1 2 2 2 ARG HA B 303 . HA 1 1 553 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 554 1 1 2 2 2 ARG HA B 303 . HA 1 1 554 1 2 2 2 3 THR H B 304 . HN 1 1 555 1 1 2 2 2 ARG QG B 303 . HG2# 1 1 555 1 2 2 2 3 THR H B 304 . HN 1 1 556 1 1 2 2 2 ARG H B 303 . HN 1 1 556 1 2 2 2 2 ARG QG B 303 . HG2# 1 1 557 1 1 2 2 5 GLN HA B 306 . HA 1 1 557 1 2 2 2 5 GLN QG B 306 . HG2# 1 1 558 1 1 2 2 5 GLN QG B 306 . HG2# 1 1 558 1 2 2 2 6 THR H B 307 . HN 1 1 559 1 1 2 2 6 THR HA B 307 . HA 1 1 559 1 2 2 2 7 ALA H B 308 . HN 1 1 560 1 1 2 2 8 ARG H B 309 . HN 1 1 560 1 2 2 2 8 ARG HB2 B 309 . HB2 1 1 561 1 1 2 2 8 ARG H B 309 . HN 1 1 561 1 2 2 2 8 ARG HD2 B 309 . HD2 1 1 562 1 1 2 2 8 ARG H B 309 . HN 1 1 562 1 2 2 2 8 ARG HG2 B 309 . HG2 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 . . . . . 0.0 0.0 4.08 1 1 2 1 . . . . . 0.0 0.0 4.08 1 1 3 1 . . . . . 0.0 0.0 3.61 1 1 4 1 . . . . . 0.0 0.0 3.61 1 1 5 1 . . . . . 0.0 0.0 3.76 1 1 6 1 . . . . . 0.0 0.0 4.73 1 1 7 1 . . . . . 0.0 0.0 5.17 1 1 8 1 . . . . . 0.0 0.0 5.5 1 1 9 1 . . . . . 0.0 0.0 5.0 1 1 10 1 . . . . . 0.0 0.0 4.13 1 1 11 1 . . . . . 0.0 0.0 4.12 1 1 12 1 . . . . . 0.0 0.0 4.53 1 1 13 1 . . . . . 0.0 0.0 5.38 1 1 14 1 . . . . . 0.0 0.0 3.82 1 1 15 1 . . . . . 0.0 0.0 4.54 1 1 16 1 . . . . . 0.0 0.0 5.33 1 1 17 1 . . . . . 0.0 0.0 4.0 1 1 18 1 . . . . . 0.0 0.0 4.38 1 1 19 1 . . . . . 0.0 0.0 4.34 1 1 20 1 . . . . . 0.0 0.0 4.28 1 1 21 1 . . . . . 0.0 0.0 5.44 1 1 22 1 . . . . . 0.0 0.0 5.27 1 1 23 1 . . . . . 0.0 0.0 4.91 1 1 24 1 . . . . . 0.0 0.0 4.61 1 1 25 1 . . . . . 0.0 0.0 4.56 1 1 26 1 . . . . . 0.0 0.0 5.5 1 1 27 1 . . . . . 0.0 0.0 5.5 1 1 28 1 . . . . . 0.0 0.0 4.81 1 1 29 1 . . . . . 0.0 0.0 5.25 1 1 30 1 . . . . . 0.0 0.0 4.23 1 1 31 1 . . . . . 0.0 0.0 5.26 1 1 32 1 . . . . . 0.0 0.0 4.39 1 1 33 1 . . . . . 0.0 0.0 5.5 1 1 34 1 . . . . . 0.0 0.0 3.43 1 1 35 1 . . . . . 0.0 0.0 5.45 1 1 36 1 . . . . . 0.0 0.0 4.3 1 1 37 1 . . . . . 0.0 0.0 4.67 1 1 38 1 . . . . . 0.0 0.0 3.82 1 1 39 1 . . . . . 0.0 0.0 5.13 1 1 40 1 . . . . . 0.0 0.0 5.03 1 1 41 1 . . . . . 0.0 0.0 5.03 1 1 42 1 . . . . . 0.0 0.0 3.99 1 1 43 1 . . . . . 0.0 0.0 4.53 1 1 44 1 . . . . . 0.0 0.0 4.26 1 1 45 1 . . . . . 0.0 0.0 4.74 1 1 46 1 . . . . . 0.0 0.0 4.75 1 1 47 1 . . . . . 0.0 0.0 5.38 1 1 48 1 . . . . . 0.0 0.0 5.53 1 1 49 1 . . . . . 0.0 0.0 3.3 1 1 50 1 . . . . . 0.0 0.0 5.24 1 1 51 1 . . . . . 0.0 0.0 4.25 1 1 52 1 . . . . . 0.0 0.0 4.54 1 1 53 1 . . . . . 0.0 0.0 4.14 1 1 54 1 . . . . . 0.0 0.0 5.37 1 1 55 1 . . . . . 0.0 0.0 4.64 1 1 56 1 . . . . . 0.0 0.0 4.6 1 1 57 1 . . . . . 0.0 0.0 5.5 1 1 58 1 . . . . . 0.0 0.0 3.97 1 1 59 1 . . . . . 0.0 0.0 4.37 1 1 60 1 . . . . . 0.0 0.0 4.63 1 1 61 1 . . . . . 0.0 0.0 3.36 1 1 62 1 . . . . . 0.0 0.0 4.7 1 1 63 1 . . . . . 0.0 0.0 3.88 1 1 64 1 . . . . . 0.0 0.0 4.01 1 1 65 1 . . . . . 0.0 0.0 4.38 1 1 66 1 . . . . . 0.0 0.0 4.86 1 1 67 1 . . . . . 0.0 0.0 4.12 1 1 68 1 . . . . . 0.0 0.0 4.77 1 1 69 1 . . . . . 0.0 0.0 4.37 1 1 70 1 . . . . . 0.0 0.0 4.39 1 1 71 1 . . . . . 0.0 0.0 5.01 1 1 72 1 . . . . . 0.0 0.0 4.49 1 1 73 1 . . . . . 0.0 0.0 5.5 1 1 74 1 . . . . . 0.0 0.0 5.5 1 1 75 1 . . . . . 0.0 0.0 3.99 1 1 76 1 . . . . . 0.0 0.0 5.5 1 1 77 1 . . . . . 0.0 0.0 4.31 1 1 78 1 . . . . . 0.0 0.0 4.97 1 1 79 1 . . . . . 0.0 0.0 4.92 1 1 80 1 . . . . . 0.0 0.0 5.5 1 1 81 1 . . . . . 0.0 0.0 5.5 1 1 82 1 . . . . . 0.0 0.0 5.5 1 1 83 1 . . . . . 0.0 0.0 5.5 1 1 84 1 . . . . . 0.0 0.0 4.9 1 1 85 1 . . . . . 0.0 0.0 4.34 1 1 86 1 . . . . . 0.0 0.0 5.46 1 1 87 1 . . . . . 0.0 0.0 4.77 1 1 88 1 . . . . . 0.0 0.0 4.72 1 1 89 1 . . . . . 0.0 0.0 5.5 1 1 90 1 . . . . . 0.0 0.0 3.89 1 1 91 1 . . . . . 0.0 0.0 5.36 1 1 92 1 . . . . . 0.0 0.0 5.5 1 1 93 1 . . . . . 0.0 0.0 5.48 1 1 94 1 . . . . . 0.0 0.0 5.01 1 1 95 1 . . . . . 0.0 0.0 4.35 1 1 96 1 . . . . . 0.0 0.0 3.85 1 1 97 1 . . . . . 0.0 0.0 4.65 1 1 98 1 . . . . . 0.0 0.0 5.28 1 1 99 1 . . . . . 0.0 0.0 3.8 1 1 100 1 . . . . . 0.0 0.0 5.18 1 1 101 1 . . . . . 0.0 0.0 5.25 1 1 102 1 . . . . . 0.0 0.0 5.5 1 1 103 1 . . . . . 0.0 0.0 4.13 1 1 104 1 . . . . . 0.0 0.0 4.13 1 1 105 1 . . . . . 0.0 0.0 4.99 1 1 106 1 . . . . . 0.0 0.0 5.15 1 1 107 1 . . . . . 0.0 0.0 3.17 1 1 108 1 . . . . . 0.0 0.0 5.2 1 1 109 1 . . . . . 0.0 0.0 4.35 1 1 110 1 . . . . . 0.0 0.0 5.5 1 1 111 1 . . . . . 0.0 0.0 5.06 1 1 112 1 . . . . . 0.0 0.0 4.05 1 1 113 1 . . . . . 0.0 0.0 5.5 1 1 114 1 . . . . . 0.0 0.0 4.14 1 1 115 1 . . . . . 0.0 0.0 5.5 1 1 116 1 . . . . . 0.0 0.0 4.13 1 1 117 1 . . . . . 0.0 0.0 3.39 1 1 118 1 . . . . . 0.0 0.0 5.5 1 1 119 1 . . . . . 0.0 0.0 5.5 1 1 120 1 . . . . . 0.0 0.0 4.7 1 1 121 1 . . . . . 0.0 0.0 5.15 1 1 122 1 . . . . . 0.0 0.0 5.02 1 1 123 1 . . . . . 0.0 0.0 3.88 1 1 124 1 . . . . . 0.0 0.0 5.5 1 1 125 1 . . . . . 0.0 0.0 5.5 1 1 126 1 . . . . . 0.0 0.0 3.76 1 1 127 1 . . . . . 0.0 0.0 5.5 1 1 128 1 . . . . . 0.0 0.0 4.09 1 1 129 1 . . . . . 0.0 0.0 5.13 1 1 130 1 . . . . . 0.0 0.0 4.04 1 1 131 1 . . . . . 0.0 0.0 4.26 1 1 132 1 . . . . . 0.0 0.0 3.85 1 1 133 1 . . . . . 0.0 0.0 5.37 1 1 134 1 . . . . . 0.0 0.0 5.5 1 1 135 1 . . . . . 0.0 0.0 4.5 1 1 136 1 . . . . . 0.0 0.0 5.05 1 1 137 1 . . . . . 0.0 0.0 3.86 1 1 138 1 . . . . . 0.0 0.0 5.27 1 1 139 1 . . . . . 0.0 0.0 4.53 1 1 140 1 . . . . . 0.0 0.0 5.5 1 1 141 1 . . . . . 0.0 0.0 5.26 1 1 142 1 . . . . . 0.0 0.0 4.57 1 1 143 1 . . . . . 0.0 0.0 5.1 1 1 144 1 . . . . . 0.0 0.0 5.5 1 1 145 1 . . . . . 0.0 0.0 5.5 1 1 146 1 . . . . . 0.0 0.0 5.5 1 1 147 1 . . . . . 0.0 0.0 4.88 1 1 148 1 . . . . . 0.0 0.0 3.83 1 1 149 1 . . . . . 0.0 0.0 5.5 1 1 150 1 . . . . . 0.0 0.0 4.93 1 1 151 1 . . . . . 0.0 0.0 5.44 1 1 152 1 . . . . . 0.0 0.0 5.5 1 1 153 1 . . . . . 0.0 0.0 3.44 1 1 154 1 . . . . . 0.0 0.0 5.5 1 1 155 1 . . . . . 0.0 0.0 4.28 1 1 156 1 . . . . . 0.0 0.0 3.89 1 1 157 1 . . . . . 0.0 0.0 4.01 1 1 158 1 . . . . . 0.0 0.0 5.5 1 1 159 1 . . . . . 0.0 0.0 4.71 1 1 160 1 . . . . . 0.0 0.0 5.33 1 1 161 1 . . . . . 0.0 0.0 5.5 1 1 162 1 . . . . . 0.0 0.0 5.5 1 1 163 1 . . . . . 0.0 0.0 3.12 1 1 164 1 . . . . . 0.0 0.0 3.92 1 1 165 1 . . . . . 0.0 0.0 5.14 1 1 166 1 . . . . . 0.0 0.0 5.18 1 1 167 1 . . . . . 0.0 0.0 4.2 1 1 168 1 . . . . . 0.0 0.0 4.29 1 1 169 1 . . . . . 0.0 0.0 4.83 1 1 170 1 . . . . . 0.0 0.0 4.31 1 1 171 1 . . . . . 0.0 0.0 5.31 1 1 172 1 . . . . . 0.0 0.0 4.52 1 1 173 1 . . . . . 0.0 0.0 4.18 1 1 174 1 . . . . . 0.0 0.0 4.82 1 1 175 1 . . . . . 0.0 0.0 4.04 1 1 176 1 . . . . . 0.0 0.0 5.5 1 1 177 1 . . . . . 0.0 0.0 5.42 1 1 178 1 . . . . . 0.0 0.0 5.15 1 1 179 1 . . . . . 0.0 0.0 5.02 1 1 180 1 . . . . . 0.0 0.0 4.26 1 1 181 1 . . . . . 0.0 0.0 4.3 1 1 182 1 . . . . . 0.0 0.0 5.5 1 1 183 1 . . . . . 0.0 0.0 3.89 1 1 184 1 . . . . . 0.0 0.0 5.5 1 1 185 1 . . . . . 0.0 0.0 4.7 1 1 186 1 . . . . . 0.0 0.0 5.5 1 1 187 1 . . . . . 0.0 0.0 5.5 1 1 188 1 . . . . . 0.0 0.0 4.66 1 1 189 1 . . . . . 0.0 0.0 5.27 1 1 190 1 . . . . . 0.0 0.0 5.48 1 1 191 1 . . . . . 0.0 0.0 3.86 1 1 192 1 . . . . . 0.0 0.0 5.5 1 1 193 1 . . . . . 0.0 0.0 5.5 1 1 194 1 . . . . . 0.0 0.0 5.08 1 1 195 1 . . . . . 0.0 0.0 5.5 1 1 196 1 . . . . . 0.0 0.0 5.5 1 1 197 1 . . . . . 0.0 0.0 5.5 1 1 198 1 . . . . . 0.0 0.0 5.49 1 1 199 1 . . . . . 0.0 0.0 5.25 1 1 200 1 . . . . . 0.0 0.0 5.5 1 1 201 1 . . . . . 0.0 0.0 5.5 1 1 202 1 . . . . . 0.0 0.0 5.3 1 1 203 1 . . . . . 0.0 0.0 4.56 1 1 204 1 . . . . . 0.0 0.0 4.56 1 1 205 1 . . . . . 0.0 0.0 4.52 1 1 206 1 . . . . . 0.0 0.0 5.02 1 1 207 1 . . . . . 0.0 0.0 4.71 1 1 208 1 . . . . . 0.0 0.0 4.91 1 1 209 1 . . . . . 0.0 0.0 4.18 1 1 210 1 . . . . . 0.0 0.0 4.47 1 1 211 1 . . . . . 0.0 0.0 5.48 1 1 212 1 . . . . . 0.0 0.0 5.5 1 1 213 1 . . . . . 0.0 0.0 5.5 1 1 214 1 . . . . . 0.0 0.0 4.68 1 1 215 1 . . . . . 0.0 0.0 5.5 1 1 216 1 . . . . . 0.0 0.0 4.21 1 1 217 1 . . . . . 0.0 0.0 5.5 1 1 218 1 . . . . . 0.0 0.0 4.94 1 1 219 1 . . . . . 0.0 0.0 5.14 1 1 220 1 . . . . . 0.0 0.0 5.17 1 1 221 1 . . . . . 0.0 0.0 3.47 1 1 222 1 . . . . . 0.0 0.0 5.24 1 1 223 1 . . . . . 0.0 0.0 5.5 1 1 224 1 . . . . . 0.0 0.0 3.96 1 1 225 1 . . . . . 0.0 0.0 5.0 1 1 226 1 . . . . . 0.0 0.0 5.4 1 1 227 1 . . . . . 0.0 0.0 5.06 1 1 228 1 . . . . . 0.0 0.0 4.22 1 1 229 1 . . . . . 0.0 0.0 4.81 1 1 230 1 . . . . . 0.0 0.0 4.81 1 1 231 1 . . . . . 0.0 0.0 4.92 1 1 232 1 . . . . . 0.0 0.0 4.49 1 1 233 1 . . . . . 0.0 0.0 4.49 1 1 234 1 . . . . . 0.0 0.0 4.24 1 1 235 1 . . . . . 0.0 0.0 4.91 1 1 236 1 . . . . . 0.0 0.0 4.06 1 1 237 1 . . . . . 0.0 0.0 4.56 1 1 238 1 . . . . . 0.0 0.0 4.56 1 1 239 1 . . . . . 0.0 0.0 3.86 1 1 240 1 . . . . . 0.0 0.0 3.82 1 1 241 1 . . . . . 0.0 0.0 4.77 1 1 242 1 . . . . . 0.0 0.0 5.27 1 1 243 1 . . . . . 0.0 0.0 4.7 1 1 244 1 . . . . . 0.0 0.0 5.5 1 1 245 1 . . . . . 0.0 0.0 4.5 1 1 246 1 . . . . . 0.0 0.0 5.3 1 1 247 1 . . . . . 0.0 0.0 5.5 1 1 248 1 . . . . . 0.0 0.0 4.85 1 1 249 1 . . . . . 0.0 0.0 5.5 1 1 250 1 . . . . . 0.0 0.0 5.04 1 1 251 1 . . . . . 0.0 0.0 4.48 1 1 252 1 . . . . . 0.0 0.0 4.09 1 1 253 1 . . . . . 0.0 0.0 4.07 1 1 254 1 . . . . . 0.0 0.0 4.17 1 1 255 1 . . . . . 0.0 0.0 5.01 1 1 256 1 . . . . . 0.0 0.0 5.33 1 1 257 1 . . . . . 0.0 0.0 5.04 1 1 258 1 . . . . . 0.0 0.0 5.04 1 1 259 1 . . . . . 0.0 0.0 5.02 1 1 260 1 . . . . . 0.0 0.0 5.02 1 1 261 1 . . . . . 0.0 0.0 5.02 1 1 262 1 . . . . . 0.0 0.0 5.15 1 1 263 1 . . . . . 0.0 0.0 4.64 1 1 264 1 . . . . . 0.0 0.0 4.38 1 1 265 1 . . . . . 0.0 0.0 4.53 1 1 266 1 . . . . . 0.0 0.0 5.04 1 1 267 1 . . . . . 0.0 0.0 4.59 1 1 268 1 . . . . . 0.0 0.0 4.12 1 1 269 1 . . . . . 0.0 0.0 4.72 1 1 270 1 . . . . . 0.0 0.0 5.07 1 1 271 1 . . . . . 0.0 0.0 4.71 1 1 272 1 . . . . . 0.0 0.0 5.5 1 1 273 1 . . . . . 0.0 0.0 4.66 1 1 274 1 . . . . . 0.0 0.0 3.8 1 1 275 1 . . . . . 0.0 0.0 4.36 1 1 276 1 . . . . . 0.0 0.0 4.36 1 1 277 1 . . . . . 0.0 0.0 4.43 1 1 278 1 . . . . . 0.0 0.0 5.15 1 1 279 1 . . . . . 0.0 0.0 5.15 1 1 280 1 . . . . . 0.0 0.0 3.54 1 1 281 1 . . . . . 0.0 0.0 3.96 1 1 282 1 . . . . . 0.0 0.0 3.83 1 1 283 1 . . . . . 0.0 0.0 3.83 1 1 284 1 . . . . . 0.0 0.0 3.9 1 1 285 1 . . . . . 0.0 0.0 4.09 1 1 286 1 . . . . . 0.0 0.0 5.5 1 1 287 1 . . . . . 0.0 0.0 3.32 1 1 288 1 . . . . . 0.0 0.0 4.58 1 1 289 1 . . . . . 0.0 0.0 4.01 1 1 290 1 . . . . . 0.0 0.0 5.18 1 1 291 1 . . . . . 0.0 0.0 3.59 1 1 292 1 . . . . . 0.0 0.0 4.37 1 1 293 1 . . . . . 0.0 0.0 5.23 1 1 294 1 . . . . . 0.0 0.0 4.14 1 1 295 1 . . . . . 0.0 0.0 5.34 1 1 296 1 . . . . . 0.0 0.0 4.8 1 1 297 1 . . . . . 0.0 0.0 4.22 1 1 298 1 . . . . . 0.0 0.0 3.74 1 1 299 1 . . . . . 0.0 0.0 4.65 1 1 300 1 . . . . . 0.0 0.0 4.64 1 1 301 1 . . . . . 0.0 0.0 5.5 1 1 302 1 . . . . . 0.0 0.0 5.13 1 1 303 1 . . . . . 0.0 0.0 3.81 1 1 304 1 . . . . . 0.0 0.0 4.51 1 1 305 1 . . . . . 0.0 0.0 5.5 1 1 306 1 . . . . . 0.0 0.0 3.87 1 1 307 1 . . . . . 0.0 0.0 4.85 1 1 308 1 . . . . . 0.0 0.0 4.73 1 1 309 1 . . . . . 0.0 0.0 4.17 1 1 310 1 . . . . . 0.0 0.0 4.26 1 1 311 1 . . . . . 0.0 0.0 4.74 1 1 312 1 . . . . . 0.0 0.0 4.32 1 1 313 1 . . . . . 0.0 0.0 5.07 1 1 314 1 . . . . . 0.0 0.0 5.33 1 1 315 1 . . . . . 0.0 0.0 4.35 1 1 316 1 . . . . . 0.0 0.0 4.6 1 1 317 1 . . . . . 0.0 0.0 5.5 1 1 318 1 . . . . . 0.0 0.0 5.5 1 1 319 1 . . . . . 0.0 0.0 5.5 1 1 320 1 . . . . . 0.0 0.0 5.5 1 1 321 1 . . . . . 0.0 0.0 4.2 1 1 322 1 . . . . . 0.0 0.0 3.74 1 1 323 1 . . . . . 0.0 0.0 5.5 1 1 324 1 . . . . . 0.0 0.0 4.93 1 1 325 1 . . . . . 0.0 0.0 5.49 1 1 326 1 . . . . . 0.0 0.0 5.5 1 1 327 1 . . . . . 0.0 0.0 3.75 1 1 328 1 . . . . . 0.0 0.0 5.17 1 1 329 1 . . . . . 0.0 0.0 3.63 1 1 330 1 . . . . . 0.0 0.0 5.23 1 1 331 1 . . . . . 0.0 0.0 5.02 1 1 332 1 . . . . . 0.0 0.0 3.93 1 1 333 1 . . . . . 0.0 0.0 4.4 1 1 334 1 . . . . . 0.0 0.0 4.72 1 1 335 1 . . . . . 0.0 0.0 4.99 1 1 336 1 . . . . . 0.0 0.0 4.09 1 1 337 1 . . . . . 0.0 0.0 5.03 1 1 338 1 . . . . . 0.0 0.0 4.17 1 1 339 1 . . . . . 0.0 0.0 4.17 1 1 340 1 . . . . . 0.0 0.0 4.95 1 1 341 1 . . . . . 0.0 0.0 5.5 1 1 342 1 . . . . . 0.0 0.0 5.5 1 1 343 1 . . . . . 0.0 0.0 4.04 1 1 344 1 . . . . . 0.0 0.0 5.18 1 1 345 1 . . . . . 0.0 0.0 3.78 1 1 346 1 . . . . . 0.0 0.0 5.31 1 1 347 1 . . . . . 0.0 0.0 4.78 1 1 348 1 . . . . . 0.0 0.0 5.12 1 1 349 1 . . . . . 0.0 0.0 5.05 1 1 350 1 . . . . . 0.0 0.0 4.57 1 1 351 1 . . . . . 0.0 0.0 4.73 1 1 352 1 . . . . . 0.0 0.0 4.01 1 1 353 1 . . . . . 0.0 0.0 5.5 1 1 354 1 . . . . . 0.0 0.0 4.25 1 1 355 1 . . . . . 0.0 0.0 5.31 1 1 356 1 . . . . . 0.0 0.0 4.07 1 1 357 1 . . . . . 0.0 0.0 3.93 1 1 358 1 . . . . . 0.0 0.0 5.5 1 1 359 1 . . . . . 0.0 0.0 4.64 1 1 360 1 . . . . . 0.0 0.0 6.0 1 1 361 1 . . . . . 0.0 0.0 6.0 1 1 362 1 . . . . . 0.0 0.0 4.09 1 1 363 1 . . . . . 0.0 0.0 4.55 1 1 364 1 . . . . . 0.0 0.0 4.91 1 1 365 1 . . . . . 0.0 0.0 5.5 1 1 366 1 . . . . . 0.0 0.0 3.84 1 1 367 1 . . . . . 0.0 0.0 5.29 1 1 368 1 . . . . . 0.0 0.0 3.99 1 1 369 1 . . . . . 0.0 0.0 4.6 1 1 370 1 . . . . . 0.0 0.0 3.74 1 1 371 1 . . . . . 0.0 0.0 4.33 1 1 372 1 . . . . . 0.0 0.0 4.81 1 1 373 1 . . . . . 0.0 0.0 4.54 1 1 374 1 . . . . . 0.0 0.0 5.5 1 1 375 1 . . . . . 0.0 0.0 3.83 1 1 376 1 . . . . . 0.0 0.0 3.87 1 1 377 1 . . . . . 0.0 0.0 5.01 1 1 378 1 . . . . . 0.0 0.0 4.5 1 1 379 1 . . . . . 0.0 0.0 5.5 1 1 380 1 . . . . . 0.0 0.0 4.35 1 1 381 1 . . . . . 0.0 0.0 4.2 1 1 382 1 . . . . . 0.0 0.0 5.5 1 1 383 1 . . . . . 0.0 0.0 5.5 1 1 384 1 . . . . . 0.0 0.0 3.09 1 1 385 1 . . . . . 0.0 0.0 3.46 1 1 386 1 . . . . . 0.0 0.0 4.08 1 1 387 1 . . . . . 0.0 0.0 5.46 1 1 388 1 . . . . . 0.0 0.0 3.6 1 1 389 1 . . . . . 0.0 0.0 4.45 1 1 390 1 . . . . . 0.0 0.0 5.56 1 1 391 1 . . . . . 0.0 0.0 3.72 1 1 392 1 . . . . . 0.0 0.0 3.07 1 1 393 1 . . . . . 0.0 0.0 4.82 1 1 394 1 . . . . . 0.0 0.0 4.41 1 1 395 1 . . . . . 0.0 0.0 4.0 1 1 396 1 . . . . . 0.0 0.0 5.27 1 1 397 1 . . . . . 0.0 0.0 5.08 1 1 398 1 . . . . . 0.0 0.0 4.66 1 1 399 1 . . . . . 0.0 0.0 3.53 1 1 400 1 . . . . . 0.0 0.0 4.35 1 1 401 1 . . . . . 0.0 0.0 4.91 1 1 402 1 . . . . . 0.0 0.0 5.39 1 1 403 1 . . . . . 0.0 0.0 3.6 1 1 404 1 . . . . . 0.0 0.0 5.25 1 1 405 1 . . . . . 0.0 0.0 4.51 1 1 406 1 . . . . . 0.0 0.0 5.5 1 1 407 1 . . . . . 0.0 0.0 3.9 1 1 408 1 . . . . . 0.0 0.0 3.89 1 1 409 1 . . . . . 0.0 0.0 4.77 1 1 410 1 . . . . . 0.0 0.0 4.03 1 1 411 1 . . . . . 0.0 0.0 4.69 1 1 412 1 . . . . . 0.0 0.0 4.85 1 1 413 1 . . . . . 0.0 0.0 5.42 1 1 414 1 . . . . . 0.0 0.0 4.97 1 1 415 1 . . . . . 0.0 0.0 4.08 1 1 416 1 . . . . . 0.0 0.0 4.39 1 1 417 1 . . . . . 0.0 0.0 5.12 1 1 418 1 . . . . . 0.0 0.0 3.85 1 1 419 1 . . . . . 0.0 0.0 4.34 1 1 420 1 . . . . . 0.0 0.0 3.71 1 1 421 1 . . . . . 0.0 0.0 5.06 1 1 422 1 . . . . . 0.0 0.0 4.39 1 1 423 1 . . . . . 0.0 0.0 4.3 1 1 424 1 . . . . . 0.0 0.0 4.37 1 1 425 1 . . . . . 0.0 0.0 5.42 1 1 426 1 . . . . . 0.0 0.0 4.62 1 1 427 1 . . . . . 0.0 0.0 3.63 1 1 428 1 . . . . . 0.0 0.0 4.44 1 1 429 1 . . . . . 0.0 0.0 4.12 1 1 430 1 . . . . . 0.0 0.0 4.1 1 1 431 1 . . . . . 0.0 0.0 4.04 1 1 432 1 . . . . . 0.0 0.0 4.63 1 1 433 1 . . . . . 0.0 0.0 5.04 1 1 434 1 . . . . . 0.0 0.0 4.39 1 1 435 1 . . . . . 0.0 0.0 5.19 1 1 436 1 . . . . . 0.0 0.0 4.37 1 1 437 1 . . . . . 0.0 0.0 5.03 1 1 438 1 . . . . . 0.0 0.0 4.65 1 1 439 1 . . . . . 0.0 0.0 3.67 1 1 440 1 . . . . . 0.0 0.0 3.57 1 1 441 1 . . . . . 0.0 0.0 4.81 1 1 442 1 . . . . . 0.0 0.0 4.52 1 1 443 1 . . . . . 0.0 0.0 3.64 1 1 444 1 . . . . . 0.0 0.0 4.6 1 1 445 1 . . . . . 0.0 0.0 4.28 1 1 446 1 . . . . . 0.0 0.0 4.46 1 1 447 1 . . . . . 0.0 0.0 5.07 1 1 448 1 . . . . . 0.0 0.0 3.73 1 1 449 1 . . . . . 0.0 0.0 3.51 1 1 450 1 . . . . . 0.0 0.0 5.39 1 1 451 1 . . . . . 0.0 0.0 3.55 1 1 452 1 . . . . . 0.0 0.0 4.51 1 1 453 1 . . . . . 0.0 0.0 5.5 1 1 454 1 . . . . . 0.0 0.0 3.56 1 1 455 1 . . . . . 0.0 0.0 4.95 1 1 456 1 . . . . . 0.0 0.0 3.19 1 1 457 1 . . . . . 0.0 0.0 4.91 1 1 458 1 . . . . . 0.0 0.0 3.91 1 1 459 1 . . . . . 0.0 0.0 3.75 1 1 460 1 . . . . . 0.0 0.0 5.5 1 1 461 1 . . . . . 0.0 0.0 3.74 1 1 462 1 . . . . . 0.0 0.0 4.58 1 1 463 1 . . . . . 0.0 0.0 3.26 1 1 464 1 . . . . . 0.0 0.0 4.15 1 1 465 1 . . . . . 0.0 0.0 3.43 1 1 466 1 . . . . . 0.0 0.0 3.94 1 1 467 1 . . . . . 0.0 0.0 4.5 1 1 468 1 . . . . . 0.0 0.0 4.13 1 1 469 1 . . . . . 0.0 0.0 4.45 1 1 470 1 . . . . . 0.0 0.0 3.5 1 1 471 1 . . . . . 0.0 0.0 3.47 1 1 472 1 . . . . . 0.0 0.0 3.52 1 1 473 1 . . . . . 0.0 0.0 4.1 1 1 474 1 . . . . . 0.0 0.0 4.15 1 1 475 1 . . . . . 0.0 0.0 3.17 1 1 476 1 . . . . . 0.0 0.0 4.35 1 1 477 1 . . . . . 0.0 0.0 3.83 1 1 478 1 . . . . . 0.0 0.0 4.91 1 1 479 1 . . . . . 0.0 0.0 4.52 1 1 480 1 . . . . . 0.0 0.0 3.96 1 1 481 1 . . . . . 0.0 0.0 4.4 1 1 482 1 . . . . . 0.0 0.0 4.77 1 1 483 1 . . . . . 0.0 0.0 4.23 1 1 484 1 . . . . . 0.0 0.0 5.5 1 1 485 1 . . . . . 0.0 0.0 3.62 1 1 486 1 . . . . . 0.0 0.0 4.05 1 1 487 1 . . . . . 0.0 0.0 4.97 1 1 488 1 . . . . . 0.0 0.0 3.54 1 1 489 1 . . . . . 0.0 0.0 5.5 1 1 490 1 . . . . . 0.0 0.0 4.06 1 1 491 1 . . . . . 0.0 0.0 3.37 1 1 492 1 . . . . . 0.0 0.0 4.91 1 1 493 1 . . . . . 0.0 0.0 3.96 1 1 494 1 . . . . . 0.0 0.0 4.76 1 1 495 1 . . . . . 0.0 0.0 4.14 1 1 496 1 . . . . . 0.0 0.0 5.5 1 1 497 1 . . . . . 0.0 0.0 5.5 1 1 498 1 . . . . . 0.0 0.0 4.21 1 1 499 1 . . . . . 0.0 0.0 3.55 1 1 500 1 . . . . . 0.0 0.0 3.47 1 1 501 1 . . . . . 0.0 0.0 4.08 1 1 502 1 . . . . . 0.0 0.0 4.7 1 1 503 1 . . . . . 0.0 0.0 4.35 1 1 504 1 . . . . . 0.0 0.0 4.38 1 1 505 1 . . . . . 0.0 0.0 4.02 1 1 506 1 . . . . . 0.0 0.0 4.08 1 1 507 1 . . . . . 0.0 0.0 3.88 1 1 508 1 . . . . . 0.0 0.0 4.51 1 1 509 1 . . . . . 0.0 0.0 4.8 1 1 510 1 . . . . . 0.0 0.0 4.48 1 1 511 1 . . . . . 0.0 0.0 3.88 1 1 512 1 . . . . . 0.0 0.0 3.97 1 1 513 1 . . . . . 0.0 0.0 4.5 1 1 514 1 . . . . . 0.0 0.0 4.33 1 1 515 1 . . . . . 0.0 0.0 3.79 1 1 516 1 . . . . . 0.0 0.0 5.5 1 1 517 1 . . . . . 0.0 0.0 3.03 1 1 518 1 . . . . . 0.0 0.0 3.64 1 1 519 1 . . . . . 0.0 0.0 4.85 1 1 520 1 . . . . . 0.0 0.0 5.03 1 1 521 1 . . . . . 0.0 0.0 4.3 1 1 522 1 . . . . . 0.0 0.0 4.56 1 1 523 1 . . . . . 0.0 0.0 2.95 1 1 524 1 . . . . . 0.0 0.0 4.98 1 1 525 1 . . . . . 0.0 0.0 4.25 1 1 526 1 . . . . . 0.0 0.0 5.39 1 1 527 1 . . . . . 0.0 0.0 5.1 1 1 528 1 . . . . . 0.0 0.0 4.63 1 1 529 1 . . . . . 0.0 0.0 4.29 1 1 530 1 . . . . . 0.0 0.0 3.45 1 1 531 1 . . . . . 0.0 0.0 3.78 1 1 532 1 . . . . . 0.0 0.0 4.42 1 1 533 1 . . . . . 0.0 0.0 3.26 1 1 534 1 . . . . . 0.0 0.0 4.09 1 1 535 1 . . . . . 0.0 0.0 5.09 1 1 536 1 . . . . . 0.0 0.0 4.11 1 1 537 1 . . . . . 0.0 0.0 4.71 1 1 538 1 . . . . . 0.0 0.0 3.67 1 1 539 1 . . . . . 0.0 0.0 5.33 1 1 540 1 . . . . . 0.0 0.0 5.5 1 1 541 1 . . . . . 0.0 0.0 3.3 1 1 542 1 . . . . . 0.0 0.0 5.21 1 1 543 1 . . . . . 0.0 0.0 5.39 1 1 544 1 . . . . . 0.0 0.0 4.78 1 1 545 1 . . . . . 0.0 0.0 4.71 1 1 546 1 . . . . . 0.0 0.0 4.62 1 1 547 1 . . . . . 0.0 0.0 5.02 1 1 548 1 . . . . . 0.0 0.0 3.69 1 1 549 1 . . . . . 0.0 0.0 4.18 1 1 550 1 . . . . . 0.0 0.0 4.85 1 1 551 1 . . . . . 0.0 0.0 3.47 1 1 552 1 . . . . . 0.0 0.0 3.0 1 1 553 1 . . . . . 0.0 0.0 3.65 1 1 554 1 . . . . . 0.0 0.0 3.91 1 1 555 1 . . . . . 0.0 0.0 4.1 1 1 556 1 . . . . . 0.0 0.0 3.92 1 1 557 1 . . . . . 0.0 0.0 3.76 1 1 558 1 . . . . . 0.0 0.0 5.5 1 1 559 1 . . . . . 0.0 0.0 4.37 1 1 560 1 . . . . . 0.0 0.0 4.26 1 1 561 1 . . . . . 0.0 0.0 4.69 1 1 562 1 . . . . . 0.0 0.0 4.87 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 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 18 TRP O A 18 . O 1 2 1 1 2 2 2 3 THR H B 304 . HN 1 2 2 1 1 1 1 18 TRP O A 18 . O 1 2 2 1 2 2 2 3 THR N B 304 . N 1 2 3 1 1 1 1 19 VAL H A 19 . HN 1 2 3 1 2 1 1 29 PHE O A 29 . O 1 2 4 1 1 1 1 19 VAL N A 19 . N 1 2 4 1 2 1 1 29 PHE O A 29 . O 1 2 5 1 1 1 1 19 VAL O A 19 . O 1 2 5 1 2 1 1 29 PHE H A 29 . HN 1 2 6 1 1 1 1 19 VAL O A 19 . O 1 2 6 1 2 1 1 29 PHE N A 29 . N 1 2 7 1 1 1 1 21 CYS H A 21 . HN 1 2 7 1 2 1 1 27 GLU O A 27 . O 1 2 8 1 1 1 1 21 CYS N A 21 . N 1 2 8 1 2 1 1 27 GLU O A 27 . O 1 2 9 1 1 1 1 20 GLN H A 20 . HN 1 2 9 1 2 2 2 1 ALA O B 302 . O 1 2 10 1 1 1 1 20 GLN N A 20 . N 1 2 10 1 2 2 2 1 ALA O B 302 . O 1 2 11 1 1 1 1 22 ASP OD2 A 22 . OD2 1 2 11 1 2 1 1 46 TYR H A 46 . HN 1 2 12 1 1 1 1 22 ASP OD2 A 22 . OD2 1 2 12 1 2 1 1 46 TYR N A 46 . N 1 2 13 1 1 1 1 37 SER O A 37 . O 1 2 13 1 2 1 1 41 ALA H A 41 . HN 1 2 14 1 1 1 1 37 SER O A 37 . O 1 2 14 1 2 1 1 41 ALA N A 41 . N 1 2 15 1 1 1 1 38 PRO O A 38 . O 1 2 15 1 2 1 1 42 GLU H A 42 . HN 1 2 16 1 1 1 1 38 PRO O A 38 . O 1 2 16 1 2 1 1 42 GLU N A 42 . N 1 2 17 1 1 1 1 39 GLU O A 39 . O 1 2 17 1 2 1 1 43 ASN H A 43 . HN 1 2 18 1 1 1 1 39 GLU O A 39 . O 1 2 18 1 2 1 1 43 ASN N A 43 . N 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 . . . . . 0.0 0.0 2.3 1 2 2 1 . . . . . 0.0 0.0 3.3 1 2 3 1 . . . . . 0.0 0.0 2.3 1 2 4 1 . . . . . 0.0 0.0 3.3 1 2 5 1 . . . . . 0.0 0.0 2.3 1 2 6 1 . . . . . 0.0 0.0 3.3 1 2 7 1 . . . . . 0.0 0.0 2.3 1 2 8 1 . . . . . 0.0 0.0 3.3 1 2 9 1 . . . . . 0.0 0.0 2.3 1 2 10 1 . . . . . 0.0 0.0 3.3 1 2 11 1 . . . . . 0.0 0.0 2.3 1 2 12 1 . . . . . 0.0 0.0 3.3 1 2 13 1 . . . . . 0.0 0.0 2.3 1 2 14 1 . . . . . 0.0 0.0 3.3 1 2 15 1 . . . . . 0.0 0.0 2.3 1 2 16 1 . . . . . 0.0 0.0 3.3 1 2 17 1 . . . . . 0.0 0.0 2.3 1 2 18 1 . . . . . 0.0 0.0 3.3 1 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _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 . 1 1 1 SER C 1 1 2 VAL N 1 1 2 VAL CA 1 1 2 VAL C -133.6 -109.6 A 1 . C A 2 . N A 2 . CA A 2 . C 1 1 2 . 1 1 2 VAL N 1 1 2 VAL CA 1 1 2 VAL C 1 1 3 CYS N 117.82 140.51 A 2 . N A 2 . CA A 2 . C A 3 . N 1 1 3 . 1 1 2 VAL C 1 1 3 CYS N 1 1 3 CYS CA 1 1 3 CYS C -141.4 -103.899994 A 2 . C A 3 . N A 3 . CA A 3 . C 1 1 4 . 1 1 3 CYS C 1 1 4 ALA N 1 1 4 ALA CA 1 1 4 ALA C -150.7 -16.89 A 3 . C A 4 . N A 4 . CA A 4 . C 1 1 5 . 1 1 3 CYS N 1 1 3 CYS CA 1 1 3 CYS C 1 1 4 ALA N 135.32999 172.41 A 3 . N A 3 . CA A 3 . C A 4 . N 1 1 6 . 1 1 4 ALA C 1 1 5 ALA N 1 1 5 ALA CA 1 1 5 ALA C -164.6 -14.55 A 4 . C A 5 . N A 5 . CA A 5 . C 1 1 7 . 1 1 4 ALA N 1 1 4 ALA CA 1 1 4 ALA C 1 1 5 ALA N 78.65 197.58 A 4 . N A 4 . CA A 4 . C A 5 . N 1 1 8 . 1 1 5 ALA C 1 1 6 GLN N 1 1 6 GLN CA 1 1 6 GLN C -108.2 -45.2 A 5 . C A 6 . N A 6 . CA A 6 . C 1 1 9 . 1 1 5 ALA N 1 1 5 ALA CA 1 1 5 ALA C 1 1 6 GLN N 89.8455 165.7105 A 5 . N A 5 . CA A 5 . C A 6 . N 1 1 10 . 1 1 6 GLN N 1 1 6 GLN CA 1 1 6 GLN C 1 1 7 ASN N -49.81 11.235 A 6 . N A 6 . CA A 6 . C A 7 . N 1 1 11 . 1 1 7 ASN C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -95.05 -57.819996 A 7 . C A 8 . N A 8 . CA A 8 . C 1 1 12 . 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C 1 1 9 GLN N 113.8 152.41 A 8 . N A 8 . CA A 8 . C A 9 . N 1 1 13 . 1 1 9 GLN C 1 1 10 ARG N 1 1 10 ARG CA 1 1 10 ARG C -148.49998 -68.38 A 9 . C A 10 . N A 10 . CA A 10 . C 1 1 14 . 1 1 10 ARG N 1 1 10 ARG CA 1 1 10 ARG C 1 1 11 PRO N 98.2855 175.6505 A 10 . N A 10 . CA A 10 . C A 11 . N 1 1 15 . 1 1 15 LYS C 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL C -143.0 -85.07 A 15 . C A 16 . N A 16 . CA A 16 . C 1 1 16 . 1 1 16 VAL C 1 1 17 ASP N 1 1 17 ASP CA 1 1 17 ASP C -121.600006 -73.09 A 16 . C A 17 . N A 17 . CA A 17 . C 1 1 17 . 1 1 16 VAL N 1 1 16 VAL CA 1 1 16 VAL C 1 1 17 ASP N 117.39 153.6 A 16 . N A 16 . CA A 16 . C A 17 . N 1 1 18 . 1 1 17 ASP C 1 1 18 TRP N 1 1 18 TRP CA 1 1 18 TRP C -157.2 -97.28 A 17 . C A 18 . N A 18 . CA A 18 . C 1 1 19 . 1 1 17 ASP N 1 1 17 ASP CA 1 1 17 ASP C 1 1 18 TRP N 109.24999 159.89 A 17 . N A 17 . CA A 17 . C A 18 . N 1 1 20 . 1 1 18 TRP C 1 1 19 VAL N 1 1 19 VAL CA 1 1 19 VAL C -162.3 -111.0 A 18 . C A 19 . N A 19 . CA A 19 . C 1 1 21 . 1 1 18 TRP N 1 1 18 TRP CA 1 1 18 TRP C 1 1 19 VAL N 121.65 163.47 A 18 . N A 18 . CA A 18 . C A 19 . N 1 1 22 . 1 1 19 VAL C 1 1 20 GLN N 1 1 20 GLN CA 1 1 20 GLN C -122.399994 -67.5 A 19 . C A 20 . N A 20 . CA A 20 . C 1 1 23 . 1 1 19 VAL N 1 1 19 VAL CA 1 1 19 VAL C 1 1 20 GLN N 121.55 150.56 A 19 . N A 19 . CA A 19 . C A 20 . N 1 1 24 . 1 1 20 GLN N 1 1 20 GLN CA 1 1 20 GLN C 1 1 21 CYS N 101.42999 138.66 A 20 . N A 20 . CA A 20 . C A 21 . N 1 1 25 . 1 1 24 GLY C 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS C -101.6 -49.45 A 24 . C A 25 . N A 25 . CA A 25 . C 1 1 26 . 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS C 1 1 26 ASP N -77.14 14.958999 A 25 . N A 25 . CA A 25 . C A 26 . N 1 1 27 . 1 1 27 GLU C 1 1 28 TRP N 1 1 28 TRP CA 1 1 28 TRP C -153.7 -89.05 A 27 . C A 28 . N A 28 . CA A 28 . C 1 1 28 . 1 1 28 TRP C 1 1 29 PHE N 1 1 29 PHE CA 1 1 29 PHE C -146.2 -62.41 A 28 . C A 29 . N A 29 . CA A 29 . C 1 1 29 . 1 1 28 TRP N 1 1 28 TRP CA 1 1 28 TRP C 1 1 29 PHE N 122.38 168.67 A 28 . N A 28 . CA A 28 . C A 29 . N 1 1 30 . 1 1 29 PHE N 1 1 29 PHE CA 1 1 29 PHE C 1 1 30 HIS N 85.0145 170.2995 A 29 . N A 29 . CA A 29 . C A 30 . N 1 1 31 . 1 1 30 HIS C 1 1 31 GLN N 1 1 31 GLN CA 1 1 31 GLN C -76.48 -48.37 A 30 . C A 31 . N A 31 . CA A 31 . C 1 1 32 . 1 1 31 GLN C 1 1 32 VAL N 1 1 32 VAL CA 1 1 32 VAL C -69.99 -53.25 A 31 . C A 32 . N A 32 . CA A 32 . C 1 1 33 . 1 1 31 GLN N 1 1 31 GLN CA 1 1 31 GLN C 1 1 32 VAL N -53.3 -32.63 A 31 . N A 31 . CA A 31 . C A 32 . N 1 1 34 . 1 1 32 VAL C 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS C -83.77 -54.25 A 32 . C A 33 . N A 33 . CA A 33 . C 1 1 35 . 1 1 32 VAL N 1 1 32 VAL CA 1 1 32 VAL C 1 1 33 CYS N -45.609997 -30.12 A 32 . N A 32 . CA A 32 . C A 33 . N 1 1 36 . 1 1 33 CYS C 1 1 34 VAL N 1 1 34 VAL CA 1 1 34 VAL C -120.19999 -86.24 A 33 . C A 34 . N A 34 . CA A 34 . C 1 1 37 . 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS C 1 1 34 VAL N -51.09 -19.32 A 33 . N A 33 . CA A 33 . C A 34 . N 1 1 38 . 1 1 34 VAL C 1 1 35 GLY N 1 1 35 GLY CA 1 1 35 GLY C 52.28 98.95999 A 34 . C A 35 . N A 35 . CA A 35 . C 1 1 39 . 1 1 34 VAL N 1 1 34 VAL CA 1 1 34 VAL C 1 1 35 GLY N -22.25 26.47 A 34 . N A 34 . CA A 34 . C A 35 . N 1 1 40 . 1 1 35 GLY C 1 1 36 VAL N 1 1 36 VAL CA 1 1 36 VAL C -145.9 -80.14 A 35 . C A 36 . N A 36 . CA A 36 . C 1 1 41 . 1 1 35 GLY N 1 1 35 GLY CA 1 1 35 GLY C 1 1 36 VAL N -11.39 46.893997 A 35 . N A 35 . CA A 35 . C A 36 . N 1 1 42 . 1 1 36 VAL C 1 1 37 SER N 1 1 37 SER CA 1 1 37 SER C -135.5 -49.97 A 36 . C A 37 . N A 37 . CA A 37 . C 1 1 43 . 1 1 36 VAL N 1 1 36 VAL CA 1 1 36 VAL C 1 1 37 SER N 114.73999 169.13 A 36 . N A 36 . CA A 36 . C A 37 . N 1 1 44 . 1 1 37 SER N 1 1 37 SER CA 1 1 37 SER C 1 1 38 PRO N 91.7045 166.0095 A 37 . N A 37 . CA A 37 . C A 38 . N 1 1 45 . 1 1 38 PRO N 1 1 38 PRO CA 1 1 38 PRO C 1 1 39 GLU N -50.58 -16.199999 A 38 . N A 38 . CA A 38 . C A 39 . N 1 1 46 . 1 1 38 PRO C 1 1 39 GLU N 1 1 39 GLU CA 1 1 39 GLU C -69.97 -62.590004 A 38 . C A 39 . N A 39 . CA A 39 . C 1 1 47 . 1 1 39 GLU C 1 1 40 MET N 1 1 40 MET CA 1 1 40 MET C -70.28 -59.09 A 39 . C A 40 . N A 40 . CA A 40 . C 1 1 48 . 1 1 39 GLU N 1 1 39 GLU CA 1 1 39 GLU C 1 1 40 MET N -54.84 -26.429998 A 39 . N A 39 . CA A 39 . C A 40 . N 1 1 49 . 1 1 40 MET C 1 1 41 ALA N 1 1 41 ALA CA 1 1 41 ALA C -76.94 -51.69 A 40 . C A 41 . N A 41 . CA A 41 . C 1 1 50 . 1 1 40 MET N 1 1 40 MET CA 1 1 40 MET C 1 1 41 ALA N -48.41 -32.03 A 40 . N A 40 . CA A 40 . C A 41 . N 1 1 51 . 1 1 41 ALA C 1 1 42 GLU N 1 1 42 GLU CA 1 1 42 GLU C -101.6 -59.62 A 41 . C A 42 . N A 42 . CA A 42 . C 1 1 52 . 1 1 41 ALA N 1 1 41 ALA CA 1 1 41 ALA C 1 1 42 GLU N -56.65 -28.059996 A 41 . N A 41 . CA A 41 . C A 42 . N 1 1 53 . 1 1 42 GLU N 1 1 42 GLU CA 1 1 42 GLU C 1 1 43 ASN N -45.17 -9.65 A 42 . N A 42 . CA A 42 . C A 43 . N 1 1 54 . 1 1 43 ASN C 1 1 44 GLU N 1 1 44 GLU CA 1 1 44 GLU C -143.3 -64.58 A 43 . C A 44 . N A 44 . CA A 44 . C 1 1 55 . 1 1 44 GLU N 1 1 44 GLU CA 1 1 44 GLU C 1 1 45 ASP N 100.06 189.13 A 44 . N A 44 . CA A 44 . C A 45 . N 1 1 56 . 1 1 46 TYR C 1 1 47 ILE N 1 1 47 ILE CA 1 1 47 ILE C -125.5 -89.21 A 46 . C A 47 . N A 47 . CA A 47 . C 1 1 57 . 1 1 47 ILE N 1 1 47 ILE CA 1 1 47 ILE C 1 1 48 CYS N 93.29 145.51 A 47 . N A 47 . CA A 47 . C A 48 . N 1 1 58 . 1 1 48 CYS C 1 1 49 ILE N 1 1 49 ILE CA 1 1 49 ILE C -107.7 -41.46 A 48 . C A 49 . N A 49 . CA A 49 . C 1 1 59 . 1 1 49 ILE N 1 1 49 ILE CA 1 1 49 ILE C 1 1 50 ASN N -50.26 -9.949999 A 49 . N A 49 . CA A 49 . C A 50 . N 1 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID 1 _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID . _RDC_constraint_list.Block_ID . loop_ _RDC_constraint.ID _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 1 1 3 CYS N 1 1 3 CYS H 0.399 . . . . 3 . N . 3 . HN 1 1 2 1 1 4 ALA N 1 1 4 ALA H -2.63 . . . . 4 . N . 4 . HN 1 1 3 1 1 5 ALA N 1 1 5 ALA H -8.26 . . . . 5 . N . 5 . HN 1 1 4 1 1 6 GLN N 1 1 6 GLN H 15.35 . . . . 6 . N . 6 . HN 1 1 5 1 1 7 ASN N 1 1 7 ASN H 7.17 . . . . 7 . N . 7 . HN 1 1 6 1 1 8 CYS N 1 1 8 CYS H -6.26 . . . . 8 . N . 8 . HN 1 1 7 1 1 9 GLN N 1 1 9 GLN H 9.28 . . . . 9 . N . 9 . HN 1 1 8 1 1 10 ARG N 1 1 10 ARG H 6.86 . . . . 10 . N . 10 . HN 1 1 9 1 1 13 LYS N 1 1 13 LYS H 2.93 . . . . 13 . N . 13 . HN 1 1 10 1 1 14 ASP N 1 1 14 ASP H -0.54 . . . . 14 . N . 14 . HN 1 1 11 1 1 15 LYS N 1 1 15 LYS H -2.34 . . . . 15 . N . 15 . HN 1 1 12 1 1 16 VAL N 1 1 16 VAL H -0.75 . . . . 16 . N . 16 . HN 1 1 13 1 1 17 ASP N 1 1 17 ASP H 0.2 . . . . 17 . N . 17 . HN 1 1 14 1 1 18 TRP N 1 1 18 TRP H -6.53 . . . . 18 . N . 18 . HN 1 1 15 1 1 19 VAL N 1 1 19 VAL H -7.38 . . . . 19 . N . 19 . HN 1 1 16 1 1 20 GLN N 1 1 20 GLN H -7.71 . . . . 20 . N . 20 . HN 1 1 17 1 1 21 CYS N 1 1 21 CYS H -0.95 . . . . 21 . N . 21 . HN 1 1 18 1 1 22 ASP N 1 1 22 ASP H -1.12 . . . . 22 . N . 22 . HN 1 1 19 1 1 23 GLY N 1 1 23 GLY H 15.52 . . . . 23 . N . 23 . HN 1 1 20 1 1 24 GLY N 1 1 24 GLY H -8.46 . . . . 24 . N . 24 . HN 1 1 21 1 1 25 CYS N 1 1 25 CYS H -2.05 . . . . 25 . N . 25 . HN 1 1 22 1 1 26 ASP N 1 1 26 ASP H 10.22 . . . . 26 . N . 26 . HN 1 1 23 1 1 27 GLU N 1 1 27 GLU H 2.56 . . . . 27 . N . 27 . HN 1 1 24 1 1 28 TRP N 1 1 28 TRP H -0.03 . . . . 28 . N . 28 . HN 1 1 25 1 1 29 PHE N 1 1 29 PHE H 3.229 . . . . 29 . N . 29 . HN 1 1 26 1 1 30 HIS N 1 1 30 HIS H -9.18 . . . . 30 . N . 30 . HN 1 1 27 1 1 31 GLN N 1 1 31 GLN H -4.11 . . . . 31 . N . 31 . HN 1 1 28 1 1 32 VAL N 1 1 32 VAL H 2.559 . . . . 32 . N . 32 . HN 1 1 29 1 1 33 CYS N 1 1 33 CYS H -0.27 . . . . 33 . N . 33 . HN 1 1 30 1 1 34 VAL N 1 1 34 VAL H -9.56 . . . . 34 . N . 34 . HN 1 1 31 1 1 35 GLY N 1 1 35 GLY H 15.82 . . . . 35 . N . 35 . HN 1 1 32 1 1 36 VAL N 1 1 36 VAL H 8.13 . . . . 36 . N . 36 . HN 1 1 33 1 1 37 SER N 1 1 37 SER H 18.43 . . . . 37 . N . 37 . HN 1 1 34 1 1 39 GLU N 1 1 39 GLU H 3.519 . . . . 39 . N . 39 . HN 1 1 35 1 1 40 MET N 1 1 40 MET H 12.6 . . . . 40 . N . 40 . HN 1 1 36 1 1 41 ALA N 1 1 41 ALA H 8.2 . . . . 41 . N . 41 . HN 1 1 37 1 1 42 GLU N 1 1 42 GLU H -1.82 . . . . 42 . N . 42 . HN 1 1 38 1 1 43 ASN N 1 1 43 ASN H 5.239 . . . . 43 . N . 43 . HN 1 1 39 1 1 44 GLU N 1 1 44 GLU H 11.52 . . . . 44 . N . 44 . HN 1 1 40 1 1 45 ASP N 1 1 45 ASP H 13.76 . . . . 45 . N . 45 . HN 1 1 41 1 1 46 TYR N 1 1 46 TYR H -0.84 . . . . 46 . N . 46 . HN 1 1 42 1 1 47 ILE N 1 1 47 ILE H -10.5 . . . . 47 . N . 47 . HN 1 1 43 1 1 48 CYS N 1 1 48 CYS H -0.4 . . . . 48 . N . 48 . HN 1 1 44 1 1 49 ILE N 1 1 49 ILE H 8.84 . . . . 49 . N . 49 . HN 1 1 45 1 1 50 ASN N 1 1 50 ASN H -4.82 . . . . 50 . N . 50 . HN 1 1 46 1 1 51 CYS N 1 1 51 CYS H -5.3 . . . . 51 . N . 51 . HN 1 1 47 1 1 52 ALA N 1 1 52 ALA H 14.79 . . . . 52 . N . 52 . HN 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 SER C C -4.886 -8.941 -2.017 1.00 . A A . 1 SER C 1 1 1 2 1 1 1 SER CA C -6.242 -9.090 -2.748 1.00 . A A . 1 SER CA 1 1 1 3 1 1 1 SER CB C -6.656 -7.758 -3.397 1.00 . A A . 1 SER CB 1 1 1 4 1 1 1 SER HA H -6.127 -9.845 -3.511 1.00 . A A . 1 SER HA 1 1 1 5 1 1 1 SER HB2 H -6.697 -6.986 -2.645 1.00 . A A . 1 SER HB2 1 1 1 6 1 1 1 SER HB3 H -5.915 -7.496 -4.137 1.00 . A A . 1 SER HB3 1 1 1 7 1 1 1 SER HG H -8.146 -8.809 -4.079 1.00 . A A . 1 SER HG 1 1 1 8 1 1 1 SER N N -7.296 -9.545 -1.810 1.00 . A A . 1 SER N 1 1 1 9 1 1 1 SER O O -4.794 -8.310 -0.937 1.00 . A A . 1 SER O 1 1 1 10 1 1 1 SER OG O -7.929 -7.867 -4.049 1.00 . A A . 1 SER OG 1 1 1 11 1 1 2 VAL C C -1.690 -8.525 -2.859 1.00 . A A . 2 VAL C 1 1 1 12 1 1 2 VAL CA C -2.531 -9.468 -2.023 1.00 . A A . 2 VAL CA 1 1 1 13 1 1 2 VAL CB C -1.849 -10.872 -2.037 1.00 . A A . 2 VAL CB 1 1 1 14 1 1 2 VAL CG1 C -0.500 -10.847 -1.316 1.00 . A A . 2 VAL CG1 1 1 1 15 1 1 2 VAL CG2 C -2.752 -11.929 -1.440 1.00 . A A . 2 VAL CG2 1 1 1 16 1 1 2 VAL H H -3.958 -9.982 -3.450 1.00 . A A . 2 VAL H 1 1 1 17 1 1 2 VAL HA H -2.627 -9.117 -0.998 1.00 . A A . 2 VAL HA 1 1 1 18 1 1 2 VAL HB H -1.668 -11.120 -3.073 1.00 . A A . 2 VAL HB 1 1 1 19 1 1 2 VAL HG11 H -0.649 -10.552 -0.286 1.00 . A A . 2 VAL HG11 1 1 1 20 1 1 2 VAL HG12 H 0.141 -10.122 -1.796 1.00 . A A . 2 VAL HG12 1 1 1 21 1 1 2 VAL HG13 H -0.024 -11.813 -1.354 1.00 . A A . 2 VAL HG13 1 1 1 22 1 1 2 VAL HG21 H -3.680 -11.968 -1.988 1.00 . A A . 2 VAL HG21 1 1 1 23 1 1 2 VAL HG22 H -2.962 -11.672 -0.413 1.00 . A A . 2 VAL HG22 1 1 1 24 1 1 2 VAL HG23 H -2.275 -12.896 -1.473 1.00 . A A . 2 VAL HG23 1 1 1 25 1 1 2 VAL N N -3.853 -9.508 -2.595 1.00 . A A . 2 VAL N 1 1 1 26 1 1 2 VAL O O -1.848 -8.469 -4.078 1.00 . A A . 2 VAL O 1 1 1 27 1 1 3 CYS C C 1.405 -7.372 -2.916 1.00 . A A . 3 CYS C 1 1 1 28 1 1 3 CYS CA C -0.021 -6.811 -2.883 1.00 . A A . 3 CYS CA 1 1 1 29 1 1 3 CYS CB C -0.023 -5.521 -2.121 1.00 . A A . 3 CYS CB 1 1 1 30 1 1 3 CYS H H -0.725 -7.949 -1.263 1.00 . A A . 3 CYS H 1 1 1 31 1 1 3 CYS HA H -0.384 -6.655 -3.891 1.00 . A A . 3 CYS HA 1 1 1 32 1 1 3 CYS HB2 H 0.096 -4.694 -2.803 1.00 . A A . 3 CYS HB2 1 1 1 33 1 1 3 CYS HB3 H -0.962 -5.427 -1.600 1.00 . A A . 3 CYS HB3 1 1 1 34 1 1 3 CYS N N -0.843 -7.783 -2.219 1.00 . A A . 3 CYS N 1 1 1 35 1 1 3 CYS O O 1.661 -8.424 -2.317 1.00 . A A . 3 CYS O 1 1 1 36 1 1 3 CYS SG S 1.284 -5.452 -0.917 1.00 . A A . 3 CYS SG 1 1 1 37 1 1 4 ALA C C 4.692 -6.633 -2.707 1.00 . A A . 4 ALA C 1 1 1 38 1 1 4 ALA CA C 3.652 -7.270 -3.650 1.00 . A A . 4 ALA CA 1 1 1 39 1 1 4 ALA CB C 4.135 -7.133 -5.058 1.00 . A A . 4 ALA CB 1 1 1 40 1 1 4 ALA H H 1.991 -5.811 -3.829 1.00 . A A . 4 ALA H 1 1 1 41 1 1 4 ALA HA H 3.571 -8.329 -3.446 1.00 . A A . 4 ALA HA 1 1 1 42 1 1 4 ALA HB1 H 4.201 -6.067 -5.239 1.00 . A A . 4 ALA HB1 1 1 1 43 1 1 4 ALA HB2 H 3.420 -7.594 -5.722 1.00 . A A . 4 ALA HB2 1 1 1 44 1 1 4 ALA HB3 H 5.111 -7.581 -5.152 1.00 . A A . 4 ALA HB3 1 1 1 45 1 1 4 ALA N N 2.335 -6.688 -3.556 1.00 . A A . 4 ALA N 1 1 1 46 1 1 4 ALA O O 5.578 -5.892 -3.131 1.00 . A A . 4 ALA O 1 1 1 47 1 1 5 ALA C C 6.190 -7.958 0.140 1.00 . A A . 5 ALA C 1 1 1 48 1 1 5 ALA CA C 5.639 -6.645 -0.455 1.00 . A A . 5 ALA CA 1 1 1 49 1 1 5 ALA CB C 5.183 -5.705 0.656 1.00 . A A . 5 ALA CB 1 1 1 50 1 1 5 ALA H H 3.606 -6.783 -1.134 1.00 . A A . 5 ALA H 1 1 1 51 1 1 5 ALA HA H 6.438 -6.161 -0.998 1.00 . A A . 5 ALA HA 1 1 1 52 1 1 5 ALA HB1 H 4.426 -6.194 1.251 1.00 . A A . 5 ALA HB1 1 1 1 53 1 1 5 ALA HB2 H 4.755 -4.822 0.203 1.00 . A A . 5 ALA HB2 1 1 1 54 1 1 5 ALA HB3 H 6.023 -5.428 1.277 1.00 . A A . 5 ALA HB3 1 1 1 55 1 1 5 ALA N N 4.528 -6.868 -1.415 1.00 . A A . 5 ALA N 1 1 1 56 1 1 5 ALA O O 5.461 -8.944 0.270 1.00 . A A . 5 ALA O 1 1 1 57 1 1 6 GLN C C 7.488 -9.811 2.203 1.00 . A A . 6 GLN C 1 1 1 58 1 1 6 GLN CA C 8.245 -9.083 1.075 1.00 . A A . 6 GLN CA 1 1 1 59 1 1 6 GLN CB C 9.597 -8.612 1.622 1.00 . A A . 6 GLN CB 1 1 1 60 1 1 6 GLN CD C 11.791 -7.458 1.212 1.00 . A A . 6 GLN CD 1 1 1 61 1 1 6 GLN CG C 10.474 -7.890 0.612 1.00 . A A . 6 GLN CG 1 1 1 62 1 1 6 GLN H H 8.014 -7.131 0.251 1.00 . A A . 6 GLN H 1 1 1 63 1 1 6 GLN HA H 8.436 -9.796 0.289 1.00 . A A . 6 GLN HA 1 1 1 64 1 1 6 GLN HB2 H 9.418 -7.935 2.446 1.00 . A A . 6 GLN HB2 1 1 1 65 1 1 6 GLN HB3 H 10.133 -9.475 1.986 1.00 . A A . 6 GLN HB3 1 1 1 66 1 1 6 GLN HE21 H 11.008 -5.750 1.804 1.00 . A A . 6 GLN HE21 1 1 1 67 1 1 6 GLN HE22 H 12.661 -6.016 2.215 1.00 . A A . 6 GLN HE22 1 1 1 68 1 1 6 GLN HG2 H 10.684 -8.559 -0.210 1.00 . A A . 6 GLN HG2 1 1 1 69 1 1 6 GLN HG3 H 9.955 -7.016 0.247 1.00 . A A . 6 GLN HG3 1 1 1 70 1 1 6 GLN N N 7.502 -7.933 0.483 1.00 . A A . 6 GLN N 1 1 1 71 1 1 6 GLN NE2 N 11.818 -6.296 1.788 1.00 . A A . 6 GLN NE2 1 1 1 72 1 1 6 GLN O O 7.374 -11.028 2.182 1.00 . A A . 6 GLN O 1 1 1 73 1 1 6 GLN OE1 O 12.775 -8.181 1.165 1.00 . A A . 6 GLN OE1 1 1 1 74 1 1 7 ASN C C 4.862 -9.085 4.305 1.00 . A A . 7 ASN C 1 1 1 75 1 1 7 ASN CA C 6.231 -9.690 4.262 1.00 . A A . 7 ASN CA 1 1 1 76 1 1 7 ASN CB C 6.932 -9.579 5.637 1.00 . A A . 7 ASN CB 1 1 1 77 1 1 7 ASN CG C 6.227 -10.373 6.760 1.00 . A A . 7 ASN CG 1 1 1 78 1 1 7 ASN H H 7.177 -8.112 3.135 1.00 . A A . 7 ASN H 1 1 1 79 1 1 7 ASN HA H 6.115 -10.731 4.004 1.00 . A A . 7 ASN HA 1 1 1 80 1 1 7 ASN HB2 H 7.943 -9.947 5.537 1.00 . A A . 7 ASN HB2 1 1 1 81 1 1 7 ASN HB3 H 6.971 -8.540 5.923 1.00 . A A . 7 ASN HB3 1 1 1 82 1 1 7 ASN HD21 H 5.129 -8.795 7.316 1.00 . A A . 7 ASN HD21 1 1 1 83 1 1 7 ASN HD22 H 4.884 -10.230 8.210 1.00 . A A . 7 ASN HD22 1 1 1 84 1 1 7 ASN N N 7.000 -9.073 3.178 1.00 . A A . 7 ASN N 1 1 1 85 1 1 7 ASN ND2 N 5.335 -9.741 7.490 1.00 . A A . 7 ASN ND2 1 1 1 86 1 1 7 ASN O O 4.585 -8.191 5.095 1.00 . A A . 7 ASN O 1 1 1 87 1 1 7 ASN OD1 O 6.516 -11.559 6.970 1.00 . A A . 7 ASN OD1 1 1 1 88 1 1 8 CYS C C 1.677 -9.908 3.874 1.00 . A A . 8 CYS C 1 1 1 89 1 1 8 CYS CA C 2.737 -8.969 3.274 1.00 . A A . 8 CYS CA 1 1 1 90 1 1 8 CYS CB C 2.390 -8.556 1.838 1.00 . A A . 8 CYS CB 1 1 1 91 1 1 8 CYS H H 4.287 -10.137 2.687 1.00 . A A . 8 CYS H 1 1 1 92 1 1 8 CYS HA H 2.722 -8.079 3.879 1.00 . A A . 8 CYS HA 1 1 1 93 1 1 8 CYS HB2 H 2.997 -7.713 1.547 1.00 . A A . 8 CYS HB2 1 1 1 94 1 1 8 CYS HB3 H 2.586 -9.382 1.167 1.00 . A A . 8 CYS HB3 1 1 1 95 1 1 8 CYS N N 4.056 -9.467 3.363 1.00 . A A . 8 CYS N 1 1 1 96 1 1 8 CYS O O 1.840 -11.124 3.921 1.00 . A A . 8 CYS O 1 1 1 97 1 1 8 CYS SG S 0.668 -8.090 1.628 1.00 . A A . 8 CYS SG 1 1 1 98 1 1 9 GLN C C -1.766 -9.576 3.899 1.00 . A A . 9 GLN C 1 1 1 99 1 1 9 GLN CA C -0.576 -9.990 4.768 1.00 . A A . 9 GLN CA 1 1 1 100 1 1 9 GLN CB C -0.873 -9.727 6.245 1.00 . A A . 9 GLN CB 1 1 1 101 1 1 9 GLN CD C -0.175 -10.056 8.636 1.00 . A A . 9 GLN CD 1 1 1 102 1 1 9 GLN CG C 0.218 -10.204 7.189 1.00 . A A . 9 GLN CG 1 1 1 103 1 1 9 GLN H H 0.771 -8.337 4.208 1.00 . A A . 9 GLN H 1 1 1 104 1 1 9 GLN HA H -0.397 -11.045 4.616 1.00 . A A . 9 GLN HA 1 1 1 105 1 1 9 GLN HB2 H -0.998 -8.660 6.375 1.00 . A A . 9 GLN HB2 1 1 1 106 1 1 9 GLN HB3 H -1.800 -10.217 6.509 1.00 . A A . 9 GLN HB3 1 1 1 107 1 1 9 GLN HE21 H -0.935 -11.874 8.631 1.00 . A A . 9 GLN HE21 1 1 1 108 1 1 9 GLN HE22 H -1.046 -11.023 10.126 1.00 . A A . 9 GLN HE22 1 1 1 109 1 1 9 GLN HG2 H 0.404 -11.251 6.984 1.00 . A A . 9 GLN HG2 1 1 1 110 1 1 9 GLN HG3 H 1.116 -9.633 7.009 1.00 . A A . 9 GLN HG3 1 1 1 111 1 1 9 GLN N N 0.604 -9.295 4.314 1.00 . A A . 9 GLN N 1 1 1 112 1 1 9 GLN NE2 N -0.775 -11.081 9.183 1.00 . A A . 9 GLN NE2 1 1 1 113 1 1 9 GLN O O -1.830 -8.429 3.408 1.00 . A A . 9 GLN O 1 1 1 114 1 1 9 GLN OE1 O 0.060 -9.037 9.259 1.00 . A A . 9 GLN OE1 1 1 1 115 1 1 10 ARG C C -5.019 -9.990 3.908 1.00 . A A . 10 ARG C 1 1 1 116 1 1 10 ARG CA C -3.879 -10.283 2.925 1.00 . A A . 10 ARG CA 1 1 1 117 1 1 10 ARG CB C -4.197 -11.550 2.116 1.00 . A A . 10 ARG CB 1 1 1 118 1 1 10 ARG CD C -5.569 -12.722 0.384 1.00 . A A . 10 ARG CD 1 1 1 119 1 1 10 ARG CG C -5.341 -11.409 1.130 1.00 . A A . 10 ARG CG 1 1 1 120 1 1 10 ARG CZ C -6.572 -13.417 -1.804 1.00 . A A . 10 ARG CZ 1 1 1 121 1 1 10 ARG H H -2.648 -11.382 4.098 1.00 . A A . 10 ARG H 1 1 1 122 1 1 10 ARG HA H -3.725 -9.448 2.256 1.00 . A A . 10 ARG HA 1 1 1 123 1 1 10 ARG HB2 H -3.310 -11.855 1.584 1.00 . A A . 10 ARG HB2 1 1 1 124 1 1 10 ARG HB3 H -4.451 -12.331 2.816 1.00 . A A . 10 ARG HB3 1 1 1 125 1 1 10 ARG HD2 H -4.625 -13.069 -0.010 1.00 . A A . 10 ARG HD2 1 1 1 126 1 1 10 ARG HD3 H -5.953 -13.448 1.087 1.00 . A A . 10 ARG HD3 1 1 1 127 1 1 10 ARG HE H -7.111 -11.803 -0.674 1.00 . A A . 10 ARG HE 1 1 1 128 1 1 10 ARG HG2 H -6.231 -11.154 1.685 1.00 . A A . 10 ARG HG2 1 1 1 129 1 1 10 ARG HG3 H -5.114 -10.623 0.426 1.00 . A A . 10 ARG HG3 1 1 1 130 1 1 10 ARG HH11 H -5.169 -14.732 -1.090 1.00 . A A . 10 ARG HH11 1 1 1 131 1 1 10 ARG HH12 H -5.803 -15.148 -2.606 1.00 . A A . 10 ARG HH12 1 1 1 132 1 1 10 ARG HH21 H -8.025 -12.371 -2.856 1.00 . A A . 10 ARG HH21 1 1 1 133 1 1 10 ARG HH22 H -7.449 -13.778 -3.615 1.00 . A A . 10 ARG HH22 1 1 1 134 1 1 10 ARG N N -2.684 -10.496 3.702 1.00 . A A . 10 ARG N 1 1 1 135 1 1 10 ARG NE N -6.518 -12.582 -0.739 1.00 . A A . 10 ARG NE 1 1 1 136 1 1 10 ARG NH1 N -5.800 -14.503 -1.838 1.00 . A A . 10 ARG NH1 1 1 1 137 1 1 10 ARG NH2 N -7.410 -13.163 -2.820 1.00 . A A . 10 ARG NH2 1 1 1 138 1 1 10 ARG O O -5.548 -10.900 4.541 1.00 . A A . 10 ARG O 1 1 1 139 1 1 11 PRO C C -7.815 -8.608 4.633 1.00 . A A . 11 PRO C 1 1 1 140 1 1 11 PRO CA C -6.363 -8.322 5.075 1.00 . A A . 11 PRO CA 1 1 1 141 1 1 11 PRO CB C -6.120 -6.816 5.221 1.00 . A A . 11 PRO CB 1 1 1 142 1 1 11 PRO CD C -4.773 -7.572 3.375 1.00 . A A . 11 PRO CD 1 1 1 143 1 1 11 PRO CG C -5.539 -6.390 3.905 1.00 . A A . 11 PRO CG 1 1 1 144 1 1 11 PRO HA H -6.180 -8.805 6.024 1.00 . A A . 11 PRO HA 1 1 1 145 1 1 11 PRO HB2 H -7.053 -6.318 5.438 1.00 . A A . 11 PRO HB2 1 1 1 146 1 1 11 PRO HB3 H -5.419 -6.646 6.026 1.00 . A A . 11 PRO HB3 1 1 1 147 1 1 11 PRO HD2 H -4.828 -7.683 2.298 1.00 . A A . 11 PRO HD2 1 1 1 148 1 1 11 PRO HD3 H -3.735 -7.467 3.651 1.00 . A A . 11 PRO HD3 1 1 1 149 1 1 11 PRO HG2 H -6.332 -6.115 3.226 1.00 . A A . 11 PRO HG2 1 1 1 150 1 1 11 PRO HG3 H -4.876 -5.549 4.051 1.00 . A A . 11 PRO HG3 1 1 1 151 1 1 11 PRO N N -5.359 -8.721 4.088 1.00 . A A . 11 PRO N 1 1 1 152 1 1 11 PRO O O -8.584 -9.223 5.371 1.00 . A A . 11 PRO O 1 1 1 153 1 1 12 CYS C C -10.684 -7.773 3.707 1.00 . A A . 12 CYS C 1 1 1 154 1 1 12 CYS CA C -9.495 -8.265 2.828 1.00 . A A . 12 CYS CA 1 1 1 155 1 1 12 CYS CB C -9.711 -9.704 2.351 1.00 . A A . 12 CYS CB 1 1 1 156 1 1 12 CYS H H -7.485 -7.616 2.946 1.00 . A A . 12 CYS H 1 1 1 157 1 1 12 CYS HA H -9.452 -7.624 1.959 1.00 . A A . 12 CYS HA 1 1 1 158 1 1 12 CYS HB2 H -9.614 -10.377 3.191 1.00 . A A . 12 CYS HB2 1 1 1 159 1 1 12 CYS HB3 H -10.704 -9.786 1.935 1.00 . A A . 12 CYS HB3 1 1 1 160 1 1 12 CYS HG H -8.908 -9.691 -0.070 1.00 . A A . 12 CYS HG 1 1 1 161 1 1 12 CYS N N -8.166 -8.105 3.447 1.00 . A A . 12 CYS N 1 1 1 162 1 1 12 CYS O O -11.833 -8.125 3.452 1.00 . A A . 12 CYS O 1 1 1 163 1 1 12 CYS SG S -8.537 -10.238 1.082 1.00 . A A . 12 CYS SG 1 1 1 164 1 1 13 LYS C C -12.155 -5.224 4.769 1.00 . A A . 13 LYS C 1 1 1 165 1 1 13 LYS CA C -11.450 -6.338 5.523 1.00 . A A . 13 LYS CA 1 1 1 166 1 1 13 LYS CB C -10.904 -5.827 6.857 1.00 . A A . 13 LYS CB 1 1 1 167 1 1 13 LYS CD C -10.034 -6.308 9.164 1.00 . A A . 13 LYS CD 1 1 1 168 1 1 13 LYS CE C -8.644 -5.705 9.041 1.00 . A A . 13 LYS CE 1 1 1 169 1 1 13 LYS CG C -10.532 -6.917 7.849 1.00 . A A . 13 LYS CG 1 1 1 170 1 1 13 LYS H H -9.470 -6.703 4.860 1.00 . A A . 13 LYS H 1 1 1 171 1 1 13 LYS HA H -12.184 -7.108 5.710 1.00 . A A . 13 LYS HA 1 1 1 172 1 1 13 LYS HB2 H -10.026 -5.227 6.665 1.00 . A A . 13 LYS HB2 1 1 1 173 1 1 13 LYS HB3 H -11.655 -5.196 7.310 1.00 . A A . 13 LYS HB3 1 1 1 174 1 1 13 LYS HD2 H -10.717 -5.513 9.424 1.00 . A A . 13 LYS HD2 1 1 1 175 1 1 13 LYS HD3 H -10.031 -7.064 9.938 1.00 . A A . 13 LYS HD3 1 1 1 176 1 1 13 LYS HE2 H -8.613 -5.054 8.182 1.00 . A A . 13 LYS HE2 1 1 1 177 1 1 13 LYS HE3 H -8.428 -5.123 9.924 1.00 . A A . 13 LYS HE3 1 1 1 178 1 1 13 LYS HG2 H -11.400 -7.531 8.045 1.00 . A A . 13 LYS HG2 1 1 1 179 1 1 13 LYS HG3 H -9.751 -7.523 7.417 1.00 . A A . 13 LYS HG3 1 1 1 180 1 1 13 LYS HZ1 H -7.544 -7.276 9.786 1.00 . A A . 13 LYS HZ1 1 1 1 181 1 1 13 LYS HZ2 H -6.664 -6.338 8.727 1.00 . A A . 13 LYS HZ2 1 1 1 182 1 1 13 LYS HZ3 H -7.847 -7.482 8.190 1.00 . A A . 13 LYS HZ3 1 1 1 183 1 1 13 LYS N N -10.401 -6.933 4.697 1.00 . A A . 13 LYS N 1 1 1 184 1 1 13 LYS NZ N -7.604 -6.752 8.887 1.00 . A A . 13 LYS NZ 1 1 1 185 1 1 13 LYS O O -11.836 -4.980 3.608 1.00 . A A . 13 LYS O 1 1 1 186 1 1 14 ASP C C -13.136 -2.495 4.030 1.00 . A A . 14 ASP C 1 1 1 187 1 1 14 ASP CA C -13.928 -3.483 4.836 1.00 . A A . 14 ASP CA 1 1 1 188 1 1 14 ASP CB C -14.753 -2.716 5.880 1.00 . A A . 14 ASP CB 1 1 1 189 1 1 14 ASP CG C -15.818 -3.537 6.565 1.00 . A A . 14 ASP CG 1 1 1 190 1 1 14 ASP H H -13.220 -4.672 6.409 1.00 . A A . 14 ASP H 1 1 1 191 1 1 14 ASP HA H -14.615 -3.976 4.168 1.00 . A A . 14 ASP HA 1 1 1 192 1 1 14 ASP HB2 H -14.081 -2.356 6.642 1.00 . A A . 14 ASP HB2 1 1 1 193 1 1 14 ASP HB3 H -15.222 -1.864 5.407 1.00 . A A . 14 ASP HB3 1 1 1 194 1 1 14 ASP N N -13.082 -4.531 5.450 1.00 . A A . 14 ASP N 1 1 1 195 1 1 14 ASP O O -13.249 -2.454 2.844 1.00 . A A . 14 ASP O 1 1 1 196 1 1 14 ASP OD1 O -15.515 -4.152 7.603 1.00 . A A . 14 ASP OD1 1 1 1 197 1 1 14 ASP OD2 O -16.980 -3.525 6.105 1.00 . A A . 14 ASP OD2 1 1 1 198 1 1 15 LYS C C -10.123 -0.773 4.392 1.00 . A A . 15 LYS C 1 1 1 199 1 1 15 LYS CA C -11.562 -0.732 3.948 1.00 . A A . 15 LYS CA 1 1 1 200 1 1 15 LYS CB C -12.191 0.664 4.054 1.00 . A A . 15 LYS CB 1 1 1 201 1 1 15 LYS CD C -14.236 2.086 3.484 1.00 . A A . 15 LYS CD 1 1 1 202 1 1 15 LYS CE C -14.817 2.144 4.882 1.00 . A A . 15 LYS CE 1 1 1 203 1 1 15 LYS CG C -13.499 0.784 3.255 1.00 . A A . 15 LYS CG 1 1 1 204 1 1 15 LYS H H -12.274 -1.705 5.641 1.00 . A A . 15 LYS H 1 1 1 205 1 1 15 LYS HA H -11.588 -1.037 2.912 1.00 . A A . 15 LYS HA 1 1 1 206 1 1 15 LYS HB2 H -12.385 0.865 5.096 1.00 . A A . 15 LYS HB2 1 1 1 207 1 1 15 LYS HB3 H -11.496 1.402 3.682 1.00 . A A . 15 LYS HB3 1 1 1 208 1 1 15 LYS HD2 H -13.555 2.913 3.349 1.00 . A A . 15 LYS HD2 1 1 1 209 1 1 15 LYS HD3 H -15.044 2.149 2.768 1.00 . A A . 15 LYS HD3 1 1 1 210 1 1 15 LYS HE2 H -13.996 1.916 5.540 1.00 . A A . 15 LYS HE2 1 1 1 211 1 1 15 LYS HE3 H -15.202 3.134 5.082 1.00 . A A . 15 LYS HE3 1 1 1 212 1 1 15 LYS HG2 H -13.260 0.709 2.203 1.00 . A A . 15 LYS HG2 1 1 1 213 1 1 15 LYS HG3 H -14.130 -0.046 3.538 1.00 . A A . 15 LYS HG3 1 1 1 214 1 1 15 LYS HZ1 H -15.578 0.154 4.871 1.00 . A A . 15 LYS HZ1 1 1 1 215 1 1 15 LYS HZ2 H -16.711 1.315 4.500 1.00 . A A . 15 LYS HZ2 1 1 1 216 1 1 15 LYS HZ3 H -16.231 1.108 6.078 1.00 . A A . 15 LYS HZ3 1 1 1 217 1 1 15 LYS N N -12.352 -1.693 4.666 1.00 . A A . 15 LYS N 1 1 1 218 1 1 15 LYS NZ N -15.881 1.122 5.099 1.00 . A A . 15 LYS NZ 1 1 1 219 1 1 15 LYS O O -9.819 -0.569 5.565 1.00 . A A . 15 LYS O 1 1 1 220 1 1 16 VAL C C -7.053 -0.283 2.778 1.00 . A A . 16 VAL C 1 1 1 221 1 1 16 VAL CA C -7.832 -1.201 3.724 1.00 . A A . 16 VAL CA 1 1 1 222 1 1 16 VAL CB C -7.321 -2.682 3.626 1.00 . A A . 16 VAL CB 1 1 1 223 1 1 16 VAL CG1 C -8.016 -3.560 4.667 1.00 . A A . 16 VAL CG1 1 1 1 224 1 1 16 VAL CG2 C -7.532 -3.257 2.227 1.00 . A A . 16 VAL CG2 1 1 1 225 1 1 16 VAL H H -9.605 -1.229 2.553 1.00 . A A . 16 VAL H 1 1 1 226 1 1 16 VAL HA H -7.685 -0.842 4.735 1.00 . A A . 16 VAL HA 1 1 1 227 1 1 16 VAL HB H -6.261 -2.685 3.847 1.00 . A A . 16 VAL HB 1 1 1 228 1 1 16 VAL HG11 H -9.086 -3.533 4.512 1.00 . A A . 16 VAL HG11 1 1 1 229 1 1 16 VAL HG12 H -7.785 -3.197 5.659 1.00 . A A . 16 VAL HG12 1 1 1 230 1 1 16 VAL HG13 H -7.667 -4.576 4.560 1.00 . A A . 16 VAL HG13 1 1 1 231 1 1 16 VAL HG21 H -6.940 -2.678 1.534 1.00 . A A . 16 VAL HG21 1 1 1 232 1 1 16 VAL HG22 H -8.575 -3.188 1.954 1.00 . A A . 16 VAL HG22 1 1 1 233 1 1 16 VAL HG23 H -7.243 -4.301 2.201 1.00 . A A . 16 VAL HG23 1 1 1 234 1 1 16 VAL N N -9.255 -1.090 3.460 1.00 . A A . 16 VAL N 1 1 1 235 1 1 16 VAL O O -7.450 -0.094 1.622 1.00 . A A . 16 VAL O 1 1 1 236 1 1 17 ASP C C -3.983 0.711 1.805 1.00 . A A . 17 ASP C 1 1 1 237 1 1 17 ASP CA C -5.197 1.285 2.532 1.00 . A A . 17 ASP CA 1 1 1 238 1 1 17 ASP CB C -4.759 2.413 3.480 1.00 . A A . 17 ASP CB 1 1 1 239 1 1 17 ASP CG C -5.931 3.072 4.187 1.00 . A A . 17 ASP CG 1 1 1 240 1 1 17 ASP H H -5.651 -0.009 4.149 1.00 . A A . 17 ASP H 1 1 1 241 1 1 17 ASP HA H -5.860 1.713 1.793 1.00 . A A . 17 ASP HA 1 1 1 242 1 1 17 ASP HB2 H -4.092 2.004 4.227 1.00 . A A . 17 ASP HB2 1 1 1 243 1 1 17 ASP HB3 H -4.231 3.171 2.923 1.00 . A A . 17 ASP HB3 1 1 1 244 1 1 17 ASP N N -5.959 0.265 3.264 1.00 . A A . 17 ASP N 1 1 1 245 1 1 17 ASP O O -3.302 -0.233 2.285 1.00 . A A . 17 ASP O 1 1 1 246 1 1 17 ASP OD1 O -6.563 3.978 3.601 1.00 . A A . 17 ASP OD1 1 1 1 247 1 1 17 ASP OD2 O -6.232 2.677 5.336 1.00 . A A . 17 ASP OD2 1 1 1 248 1 1 18 TRP C C -1.745 2.066 -0.591 1.00 . A A . 18 TRP C 1 1 1 249 1 1 18 TRP CA C -2.635 0.867 -0.248 1.00 . A A . 18 TRP CA 1 1 1 250 1 1 18 TRP CB C -3.230 0.355 -1.569 1.00 . A A . 18 TRP CB 1 1 1 251 1 1 18 TRP CD1 C -5.438 -0.657 -0.834 1.00 . A A . 18 TRP CD1 1 1 1 252 1 1 18 TRP CD2 C -4.233 -2.007 -2.092 1.00 . A A . 18 TRP CD2 1 1 1 253 1 1 18 TRP CE2 C -5.392 -2.675 -1.728 1.00 . A A . 18 TRP CE2 1 1 1 254 1 1 18 TRP CE3 C -3.333 -2.639 -2.898 1.00 . A A . 18 TRP CE3 1 1 1 255 1 1 18 TRP CG C -4.258 -0.730 -1.464 1.00 . A A . 18 TRP CG 1 1 1 256 1 1 18 TRP CH2 C -4.757 -4.562 -2.965 1.00 . A A . 18 TRP CH2 1 1 1 257 1 1 18 TRP CZ2 C -5.672 -3.962 -2.150 1.00 . A A . 18 TRP CZ2 1 1 1 258 1 1 18 TRP CZ3 C -3.594 -3.904 -3.342 1.00 . A A . 18 TRP CZ3 1 1 1 259 1 1 18 TRP H H -4.315 2.043 0.448 1.00 . A A . 18 TRP H 1 1 1 260 1 1 18 TRP HA H -2.057 0.081 0.210 1.00 . A A . 18 TRP HA 1 1 1 261 1 1 18 TRP HB2 H -3.719 1.206 -2.007 1.00 . A A . 18 TRP HB2 1 1 1 262 1 1 18 TRP HB3 H -2.447 0.029 -2.237 1.00 . A A . 18 TRP HB3 1 1 1 263 1 1 18 TRP HD1 H -5.728 0.233 -0.299 1.00 . A A . 18 TRP HD1 1 1 1 264 1 1 18 TRP HE1 H -6.980 -2.053 -0.541 1.00 . A A . 18 TRP HE1 1 1 1 265 1 1 18 TRP HE3 H -2.452 -2.106 -3.184 1.00 . A A . 18 TRP HE3 1 1 1 266 1 1 18 TRP HH2 H -4.919 -5.554 -3.352 1.00 . A A . 18 TRP HH2 1 1 1 267 1 1 18 TRP HZ2 H -6.579 -4.466 -1.847 1.00 . A A . 18 TRP HZ2 1 1 1 268 1 1 18 TRP HZ3 H -2.879 -4.396 -3.985 1.00 . A A . 18 TRP HZ3 1 1 1 269 1 1 18 TRP N N -3.711 1.293 0.651 1.00 . A A . 18 TRP N 1 1 1 270 1 1 18 TRP NE1 N -6.104 -1.838 -0.936 1.00 . A A . 18 TRP NE1 1 1 1 271 1 1 18 TRP O O -2.184 3.236 -0.457 1.00 . A A . 18 TRP O 1 1 1 272 1 1 19 VAL C C 1.037 2.362 -2.767 1.00 . A A . 19 VAL C 1 1 1 273 1 1 19 VAL CA C 0.406 2.837 -1.481 1.00 . A A . 19 VAL CA 1 1 1 274 1 1 19 VAL CB C 1.611 2.992 -0.551 1.00 . A A . 19 VAL CB 1 1 1 275 1 1 19 VAL CG1 C 2.270 4.343 -0.686 1.00 . A A . 19 VAL CG1 1 1 1 276 1 1 19 VAL CG2 C 1.378 2.572 0.852 1.00 . A A . 19 VAL CG2 1 1 1 277 1 1 19 VAL H H -0.160 0.896 -1.223 1.00 . A A . 19 VAL H 1 1 1 278 1 1 19 VAL HA H -0.099 3.784 -1.603 1.00 . A A . 19 VAL HA 1 1 1 279 1 1 19 VAL HB H 2.332 2.323 -0.986 1.00 . A A . 19 VAL HB 1 1 1 280 1 1 19 VAL HG11 H 3.086 4.419 0.014 1.00 . A A . 19 VAL HG11 1 1 1 281 1 1 19 VAL HG12 H 1.542 5.116 -0.486 1.00 . A A . 19 VAL HG12 1 1 1 282 1 1 19 VAL HG13 H 2.637 4.454 -1.695 1.00 . A A . 19 VAL HG13 1 1 1 283 1 1 19 VAL HG21 H 2.329 2.617 1.362 1.00 . A A . 19 VAL HG21 1 1 1 284 1 1 19 VAL HG22 H 1.066 1.540 0.809 1.00 . A A . 19 VAL HG22 1 1 1 285 1 1 19 VAL HG23 H 0.644 3.206 1.322 1.00 . A A . 19 VAL HG23 1 1 1 286 1 1 19 VAL N N -0.529 1.793 -1.064 1.00 . A A . 19 VAL N 1 1 1 287 1 1 19 VAL O O 1.269 1.156 -2.920 1.00 . A A . 19 VAL O 1 1 1 288 1 1 20 GLN C C 3.407 3.418 -4.745 1.00 . A A . 20 GLN C 1 1 1 289 1 1 20 GLN CA C 2.008 2.894 -4.847 1.00 . A A . 20 GLN CA 1 1 1 290 1 1 20 GLN CB C 1.331 3.439 -6.073 1.00 . A A . 20 GLN CB 1 1 1 291 1 1 20 GLN CD C 0.965 3.040 -8.539 1.00 . A A . 20 GLN CD 1 1 1 292 1 1 20 GLN CG C 1.848 2.814 -7.350 1.00 . A A . 20 GLN CG 1 1 1 293 1 1 20 GLN H H 0.892 4.135 -3.509 1.00 . A A . 20 GLN H 1 1 1 294 1 1 20 GLN HA H 2.049 1.817 -4.913 1.00 . A A . 20 GLN HA 1 1 1 295 1 1 20 GLN HB2 H 0.261 3.431 -5.968 1.00 . A A . 20 GLN HB2 1 1 1 296 1 1 20 GLN HB3 H 1.619 4.483 -6.090 1.00 . A A . 20 GLN HB3 1 1 1 297 1 1 20 GLN HE21 H 1.603 1.339 -9.343 1.00 . A A . 20 GLN HE21 1 1 1 298 1 1 20 GLN HE22 H 0.447 2.220 -10.261 1.00 . A A . 20 GLN HE22 1 1 1 299 1 1 20 GLN HG2 H 2.814 3.238 -7.576 1.00 . A A . 20 GLN HG2 1 1 1 300 1 1 20 GLN HG3 H 1.949 1.755 -7.185 1.00 . A A . 20 GLN HG3 1 1 1 301 1 1 20 GLN N N 1.286 3.250 -3.669 1.00 . A A . 20 GLN N 1 1 1 302 1 1 20 GLN NE2 N 1.007 2.115 -9.465 1.00 . A A . 20 GLN NE2 1 1 1 303 1 1 20 GLN O O 3.617 4.523 -4.251 1.00 . A A . 20 GLN O 1 1 1 304 1 1 20 GLN OE1 O 0.258 4.036 -8.630 1.00 . A A . 20 GLN OE1 1 1 1 305 1 1 21 CYS C C 6.062 3.922 -6.339 1.00 . A A . 21 CYS C 1 1 1 306 1 1 21 CYS CA C 5.754 3.036 -5.139 1.00 . A A . 21 CYS CA 1 1 1 307 1 1 21 CYS CB C 6.617 1.816 -5.224 1.00 . A A . 21 CYS CB 1 1 1 308 1 1 21 CYS H H 4.213 1.735 -5.545 1.00 . A A . 21 CYS H 1 1 1 309 1 1 21 CYS HA H 5.962 3.556 -4.215 1.00 . A A . 21 CYS HA 1 1 1 310 1 1 21 CYS HB2 H 6.246 1.009 -4.614 1.00 . A A . 21 CYS HB2 1 1 1 311 1 1 21 CYS HB3 H 6.534 1.489 -6.252 1.00 . A A . 21 CYS HB3 1 1 1 312 1 1 21 CYS N N 4.362 2.629 -5.169 1.00 . A A . 21 CYS N 1 1 1 313 1 1 21 CYS O O 5.721 3.587 -7.477 1.00 . A A . 21 CYS O 1 1 1 314 1 1 21 CYS SG S 8.387 2.045 -4.897 1.00 . A A . 21 CYS SG 1 1 1 315 1 1 22 ASP C C 8.608 5.858 -7.372 1.00 . A A . 22 ASP C 1 1 1 316 1 1 22 ASP CA C 7.115 5.951 -7.118 1.00 . A A . 22 ASP CA 1 1 1 317 1 1 22 ASP CB C 6.757 7.377 -6.684 1.00 . A A . 22 ASP CB 1 1 1 318 1 1 22 ASP CG C 5.290 7.549 -6.371 1.00 . A A . 22 ASP CG 1 1 1 319 1 1 22 ASP H H 7.018 5.171 -5.153 1.00 . A A . 22 ASP H 1 1 1 320 1 1 22 ASP HA H 6.582 5.712 -8.026 1.00 . A A . 22 ASP HA 1 1 1 321 1 1 22 ASP HB2 H 7.319 7.600 -5.791 1.00 . A A . 22 ASP HB2 1 1 1 322 1 1 22 ASP HB3 H 7.043 8.078 -7.457 1.00 . A A . 22 ASP HB3 1 1 1 323 1 1 22 ASP N N 6.745 5.000 -6.087 1.00 . A A . 22 ASP N 1 1 1 324 1 1 22 ASP O O 9.198 6.729 -7.988 1.00 . A A . 22 ASP O 1 1 1 325 1 1 22 ASP OD1 O 4.451 7.614 -7.328 1.00 . A A . 22 ASP OD1 1 1 1 326 1 1 22 ASP OD2 O 4.954 7.626 -5.192 1.00 . A A . 22 ASP OD2 1 1 1 327 1 1 23 GLY C C 10.973 3.637 -8.223 1.00 . A A . 23 GLY C 1 1 1 328 1 1 23 GLY CA C 10.637 4.594 -7.098 1.00 . A A . 23 GLY CA 1 1 1 329 1 1 23 GLY H H 8.688 4.067 -6.498 1.00 . A A . 23 GLY H 1 1 1 330 1 1 23 GLY HA2 H 11.089 5.554 -7.313 1.00 . A A . 23 GLY HA2 1 1 1 331 1 1 23 GLY HA3 H 11.050 4.206 -6.180 1.00 . A A . 23 GLY HA3 1 1 1 332 1 1 23 GLY N N 9.210 4.772 -6.923 1.00 . A A . 23 GLY N 1 1 1 333 1 1 23 GLY O O 12.116 3.260 -8.383 1.00 . A A . 23 GLY O 1 1 1 334 1 1 24 GLY C C 9.410 1.112 -10.226 1.00 . A A . 24 GLY C 1 1 1 335 1 1 24 GLY CA C 10.258 2.366 -10.113 1.00 . A A . 24 GLY CA 1 1 1 336 1 1 24 GLY H H 9.088 3.558 -8.752 1.00 . A A . 24 GLY H 1 1 1 337 1 1 24 GLY HA2 H 10.115 2.942 -11.014 1.00 . A A . 24 GLY HA2 1 1 1 338 1 1 24 GLY HA3 H 11.299 2.084 -10.075 1.00 . A A . 24 GLY HA3 1 1 1 339 1 1 24 GLY N N 9.976 3.224 -8.977 1.00 . A A . 24 GLY N 1 1 1 340 1 1 24 GLY O O 8.997 0.757 -11.322 1.00 . A A . 24 GLY O 1 1 1 341 1 1 25 CYS C C 6.905 -0.654 -9.541 1.00 . A A . 25 CYS C 1 1 1 342 1 1 25 CYS CA C 8.407 -0.860 -9.222 1.00 . A A . 25 CYS CA 1 1 1 343 1 1 25 CYS CB C 8.609 -1.807 -7.998 1.00 . A A . 25 CYS CB 1 1 1 344 1 1 25 CYS H H 9.513 0.738 -8.261 1.00 . A A . 25 CYS H 1 1 1 345 1 1 25 CYS HA H 8.819 -1.343 -10.096 1.00 . A A . 25 CYS HA 1 1 1 346 1 1 25 CYS HB2 H 8.171 -2.762 -8.241 1.00 . A A . 25 CYS HB2 1 1 1 347 1 1 25 CYS HB3 H 9.674 -1.933 -7.845 1.00 . A A . 25 CYS HB3 1 1 1 348 1 1 25 CYS N N 9.156 0.409 -9.113 1.00 . A A . 25 CYS N 1 1 1 349 1 1 25 CYS O O 6.265 -1.553 -10.068 1.00 . A A . 25 CYS O 1 1 1 350 1 1 25 CYS SG S 7.884 -1.281 -6.421 1.00 . A A . 25 CYS SG 1 1 1 351 1 1 26 ASP C C 3.918 -0.093 -8.996 1.00 . A A . 26 ASP C 1 1 1 352 1 1 26 ASP CA C 4.933 0.949 -9.458 1.00 . A A . 26 ASP CA 1 1 1 353 1 1 26 ASP CB C 4.649 1.404 -10.897 1.00 . A A . 26 ASP CB 1 1 1 354 1 1 26 ASP CG C 5.242 2.760 -11.202 1.00 . A A . 26 ASP CG 1 1 1 355 1 1 26 ASP H H 7.010 1.292 -9.072 1.00 . A A . 26 ASP H 1 1 1 356 1 1 26 ASP HA H 4.771 1.804 -8.814 1.00 . A A . 26 ASP HA 1 1 1 357 1 1 26 ASP HB2 H 5.036 0.680 -11.598 1.00 . A A . 26 ASP HB2 1 1 1 358 1 1 26 ASP HB3 H 3.579 1.467 -11.029 1.00 . A A . 26 ASP HB3 1 1 1 359 1 1 26 ASP N N 6.383 0.571 -9.269 1.00 . A A . 26 ASP N 1 1 1 360 1 1 26 ASP O O 2.752 -0.074 -9.406 1.00 . A A . 26 ASP O 1 1 1 361 1 1 26 ASP OD1 O 6.452 2.856 -11.451 1.00 . A A . 26 ASP OD1 1 1 1 362 1 1 26 ASP OD2 O 4.502 3.749 -11.196 1.00 . A A . 26 ASP OD2 1 1 1 363 1 1 27 GLU C C 2.810 -1.390 -6.313 1.00 . A A . 27 GLU C 1 1 1 364 1 1 27 GLU CA C 3.467 -1.912 -7.568 1.00 . A A . 27 GLU CA 1 1 1 365 1 1 27 GLU CB C 4.200 -3.243 -7.379 1.00 . A A . 27 GLU CB 1 1 1 366 1 1 27 GLU CD C 5.352 -5.153 -8.612 1.00 . A A . 27 GLU CD 1 1 1 367 1 1 27 GLU CG C 4.538 -3.892 -8.716 1.00 . A A . 27 GLU CG 1 1 1 368 1 1 27 GLU H H 5.233 -0.787 -7.772 1.00 . A A . 27 GLU H 1 1 1 369 1 1 27 GLU HA H 2.679 -2.050 -8.295 1.00 . A A . 27 GLU HA 1 1 1 370 1 1 27 GLU HB2 H 5.118 -3.075 -6.833 1.00 . A A . 27 GLU HB2 1 1 1 371 1 1 27 GLU HB3 H 3.552 -3.908 -6.831 1.00 . A A . 27 GLU HB3 1 1 1 372 1 1 27 GLU HG2 H 3.630 -4.113 -9.257 1.00 . A A . 27 GLU HG2 1 1 1 373 1 1 27 GLU HG3 H 5.101 -3.167 -9.283 1.00 . A A . 27 GLU HG3 1 1 1 374 1 1 27 GLU N N 4.324 -0.924 -8.095 1.00 . A A . 27 GLU N 1 1 1 375 1 1 27 GLU O O 3.288 -0.398 -5.703 1.00 . A A . 27 GLU O 1 1 1 376 1 1 27 GLU OE1 O 4.812 -6.205 -8.221 1.00 . A A . 27 GLU OE1 1 1 1 377 1 1 27 GLU OE2 O 6.553 -5.112 -8.953 1.00 . A A . 27 GLU OE2 1 1 1 378 1 1 28 TRP C C 1.268 -2.326 -3.592 1.00 . A A . 28 TRP C 1 1 1 379 1 1 28 TRP CA C 0.947 -1.561 -4.824 1.00 . A A . 28 TRP CA 1 1 1 380 1 1 28 TRP CB C -0.553 -1.651 -5.088 1.00 . A A . 28 TRP CB 1 1 1 381 1 1 28 TRP CD1 C -1.288 -0.941 -7.431 1.00 . A A . 28 TRP CD1 1 1 1 382 1 1 28 TRP CD2 C -1.486 0.642 -5.874 1.00 . A A . 28 TRP CD2 1 1 1 383 1 1 28 TRP CE2 C -1.914 1.163 -7.100 1.00 . A A . 28 TRP CE2 1 1 1 384 1 1 28 TRP CE3 C -1.515 1.464 -4.744 1.00 . A A . 28 TRP CE3 1 1 1 385 1 1 28 TRP CG C -1.077 -0.704 -6.109 1.00 . A A . 28 TRP CG 1 1 1 386 1 1 28 TRP CH2 C -2.406 3.235 -6.110 1.00 . A A . 28 TRP CH2 1 1 1 387 1 1 28 TRP CZ2 C -2.380 2.454 -7.227 1.00 . A A . 28 TRP CZ2 1 1 1 388 1 1 28 TRP CZ3 C -1.983 2.751 -4.875 1.00 . A A . 28 TRP CZ3 1 1 1 389 1 1 28 TRP H H 1.510 -2.850 -6.409 1.00 . A A . 28 TRP H 1 1 1 390 1 1 28 TRP HA H 1.192 -0.520 -4.665 1.00 . A A . 28 TRP HA 1 1 1 391 1 1 28 TRP HB2 H -0.818 -2.649 -5.398 1.00 . A A . 28 TRP HB2 1 1 1 392 1 1 28 TRP HB3 H -1.032 -1.423 -4.150 1.00 . A A . 28 TRP HB3 1 1 1 393 1 1 28 TRP HD1 H -1.096 -1.873 -7.935 1.00 . A A . 28 TRP HD1 1 1 1 394 1 1 28 TRP HE1 H -2.029 0.268 -8.987 1.00 . A A . 28 TRP HE1 1 1 1 395 1 1 28 TRP HE3 H -1.191 1.093 -3.784 1.00 . A A . 28 TRP HE3 1 1 1 396 1 1 28 TRP HH2 H -2.772 4.245 -6.174 1.00 . A A . 28 TRP HH2 1 1 1 397 1 1 28 TRP HZ2 H -2.703 2.839 -8.178 1.00 . A A . 28 TRP HZ2 1 1 1 398 1 1 28 TRP HZ3 H -2.025 3.394 -4.005 1.00 . A A . 28 TRP HZ3 1 1 1 399 1 1 28 TRP N N 1.733 -2.017 -5.937 1.00 . A A . 28 TRP N 1 1 1 400 1 1 28 TRP NE1 N -1.796 0.180 -8.034 1.00 . A A . 28 TRP NE1 1 1 1 401 1 1 28 TRP O O 1.518 -3.521 -3.651 1.00 . A A . 28 TRP O 1 1 1 402 1 1 29 PHE C C 0.380 -1.873 -0.309 1.00 . A A . 29 PHE C 1 1 1 403 1 1 29 PHE CA C 1.512 -2.250 -1.224 1.00 . A A . 29 PHE CA 1 1 1 404 1 1 29 PHE CB C 2.771 -1.719 -0.577 1.00 . A A . 29 PHE CB 1 1 1 405 1 1 29 PHE CD1 C 4.611 -2.626 -2.021 1.00 . A A . 29 PHE CD1 1 1 1 406 1 1 29 PHE CD2 C 4.361 -0.263 -1.761 1.00 . A A . 29 PHE CD2 1 1 1 407 1 1 29 PHE CE1 C 5.693 -2.423 -2.842 1.00 . A A . 29 PHE CE1 1 1 1 408 1 1 29 PHE CE2 C 5.430 -0.063 -2.569 1.00 . A A . 29 PHE CE2 1 1 1 409 1 1 29 PHE CG C 3.932 -1.540 -1.475 1.00 . A A . 29 PHE CG 1 1 1 410 1 1 29 PHE CZ C 6.108 -1.136 -3.115 1.00 . A A . 29 PHE CZ 1 1 1 411 1 1 29 PHE H H 1.224 -0.658 -2.587 1.00 . A A . 29 PHE H 1 1 1 412 1 1 29 PHE HA H 1.587 -3.320 -1.326 1.00 . A A . 29 PHE HA 1 1 1 413 1 1 29 PHE HB2 H 2.569 -0.761 -0.128 1.00 . A A . 29 PHE HB2 1 1 1 414 1 1 29 PHE HB3 H 3.066 -2.390 0.217 1.00 . A A . 29 PHE HB3 1 1 1 415 1 1 29 PHE HD1 H 4.293 -3.638 -1.816 1.00 . A A . 29 PHE HD1 1 1 1 416 1 1 29 PHE HD2 H 3.840 0.600 -1.357 1.00 . A A . 29 PHE HD2 1 1 1 417 1 1 29 PHE HE1 H 6.220 -3.262 -3.268 1.00 . A A . 29 PHE HE1 1 1 1 418 1 1 29 PHE HE2 H 5.733 0.949 -2.760 1.00 . A A . 29 PHE HE2 1 1 1 419 1 1 29 PHE HZ H 6.961 -0.972 -3.755 1.00 . A A . 29 PHE HZ 1 1 1 420 1 1 29 PHE N N 1.296 -1.632 -2.495 1.00 . A A . 29 PHE N 1 1 1 421 1 1 29 PHE O O -0.429 -1.041 -0.640 1.00 . A A . 29 PHE O 1 1 1 422 1 1 30 HIS C C 0.316 -1.259 2.770 1.00 . A A . 30 HIS C 1 1 1 423 1 1 30 HIS CA C -0.567 -2.056 1.859 1.00 . A A . 30 HIS CA 1 1 1 424 1 1 30 HIS CB C -1.169 -3.223 2.634 1.00 . A A . 30 HIS CB 1 1 1 425 1 1 30 HIS CD2 C -3.343 -4.255 1.639 1.00 . A A . 30 HIS CD2 1 1 1 426 1 1 30 HIS CE1 C -2.456 -6.082 0.770 1.00 . A A . 30 HIS CE1 1 1 1 427 1 1 30 HIS CG C -2.000 -4.189 1.842 1.00 . A A . 30 HIS CG 1 1 1 428 1 1 30 HIS H H 1.005 -3.202 0.942 1.00 . A A . 30 HIS H 1 1 1 429 1 1 30 HIS HA H -1.328 -1.419 1.430 1.00 . A A . 30 HIS HA 1 1 1 430 1 1 30 HIS HB2 H -0.359 -3.789 3.067 1.00 . A A . 30 HIS HB2 1 1 1 431 1 1 30 HIS HB3 H -1.771 -2.834 3.439 1.00 . A A . 30 HIS HB3 1 1 1 432 1 1 30 HIS HD2 H -4.073 -3.517 1.950 1.00 . A A . 30 HIS HD2 1 1 1 433 1 1 30 HIS HE1 H -2.354 -7.090 0.385 1.00 . A A . 30 HIS HE1 1 1 1 434 1 1 30 HIS HE2 H -4.372 -5.568 0.370 1.00 . A A . 30 HIS HE2 1 1 1 435 1 1 30 HIS N N 0.334 -2.491 0.829 1.00 . A A . 30 HIS N 1 1 1 436 1 1 30 HIS ND1 N -1.471 -5.337 1.273 1.00 . A A . 30 HIS ND1 1 1 1 437 1 1 30 HIS NE2 N -3.602 -5.446 0.968 1.00 . A A . 30 HIS NE2 1 1 1 438 1 1 30 HIS O O 1.466 -1.644 2.967 1.00 . A A . 30 HIS O 1 1 1 439 1 1 31 GLN C C 1.371 -0.035 5.268 1.00 . A A . 31 GLN C 1 1 1 440 1 1 31 GLN CA C 0.685 0.701 4.101 1.00 . A A . 31 GLN CA 1 1 1 441 1 1 31 GLN CB C -0.091 1.937 4.570 1.00 . A A . 31 GLN CB 1 1 1 442 1 1 31 GLN CD C -0.845 4.072 3.415 1.00 . A A . 31 GLN CD 1 1 1 443 1 1 31 GLN CG C -0.876 2.560 3.435 1.00 . A A . 31 GLN CG 1 1 1 444 1 1 31 GLN H H -1.107 0.051 3.163 1.00 . A A . 31 GLN H 1 1 1 445 1 1 31 GLN HA H 1.468 1.024 3.431 1.00 . A A . 31 GLN HA 1 1 1 446 1 1 31 GLN HB2 H -0.770 1.653 5.363 1.00 . A A . 31 GLN HB2 1 1 1 447 1 1 31 GLN HB3 H 0.601 2.679 4.944 1.00 . A A . 31 GLN HB3 1 1 1 448 1 1 31 GLN HE21 H -1.077 4.047 1.449 1.00 . A A . 31 GLN HE21 1 1 1 449 1 1 31 GLN HE22 H -0.931 5.606 2.162 1.00 . A A . 31 GLN HE22 1 1 1 450 1 1 31 GLN HG2 H -0.445 2.182 2.522 1.00 . A A . 31 GLN HG2 1 1 1 451 1 1 31 GLN HG3 H -1.902 2.228 3.503 1.00 . A A . 31 GLN HG3 1 1 1 452 1 1 31 GLN N N -0.168 -0.182 3.312 1.00 . A A . 31 GLN N 1 1 1 453 1 1 31 GLN NE2 N -0.967 4.633 2.227 1.00 . A A . 31 GLN NE2 1 1 1 454 1 1 31 GLN O O 2.535 0.172 5.536 1.00 . A A . 31 GLN O 1 1 1 455 1 1 31 GLN OE1 O -0.723 4.725 4.440 1.00 . A A . 31 GLN OE1 1 1 1 456 1 1 32 VAL C C 2.225 -2.764 6.628 1.00 . A A . 32 VAL C 1 1 1 457 1 1 32 VAL CA C 1.172 -1.693 7.035 1.00 . A A . 32 VAL CA 1 1 1 458 1 1 32 VAL CB C 0.034 -2.364 7.850 1.00 . A A . 32 VAL CB 1 1 1 459 1 1 32 VAL CG1 C -0.903 -1.315 8.427 1.00 . A A . 32 VAL CG1 1 1 1 460 1 1 32 VAL CG2 C -0.739 -3.355 6.991 1.00 . A A . 32 VAL CG2 1 1 1 461 1 1 32 VAL H H -0.265 -1.127 5.627 1.00 . A A . 32 VAL H 1 1 1 462 1 1 32 VAL HA H 1.667 -0.985 7.684 1.00 . A A . 32 VAL HA 1 1 1 463 1 1 32 VAL HB H 0.482 -2.893 8.674 1.00 . A A . 32 VAL HB 1 1 1 464 1 1 32 VAL HG11 H -0.357 -0.659 9.088 1.00 . A A . 32 VAL HG11 1 1 1 465 1 1 32 VAL HG12 H -1.697 -1.800 8.979 1.00 . A A . 32 VAL HG12 1 1 1 466 1 1 32 VAL HG13 H -1.321 -0.745 7.610 1.00 . A A . 32 VAL HG13 1 1 1 467 1 1 32 VAL HG21 H -1.191 -2.826 6.166 1.00 . A A . 32 VAL HG21 1 1 1 468 1 1 32 VAL HG22 H -1.506 -3.835 7.582 1.00 . A A . 32 VAL HG22 1 1 1 469 1 1 32 VAL HG23 H -0.047 -4.086 6.599 1.00 . A A . 32 VAL HG23 1 1 1 470 1 1 32 VAL N N 0.649 -0.931 5.907 1.00 . A A . 32 VAL N 1 1 1 471 1 1 32 VAL O O 3.155 -3.023 7.373 1.00 . A A . 32 VAL O 1 1 1 472 1 1 33 CYS C C 4.296 -4.064 4.492 1.00 . A A . 33 CYS C 1 1 1 473 1 1 33 CYS CA C 2.924 -4.502 5.046 1.00 . A A . 33 CYS CA 1 1 1 474 1 1 33 CYS CB C 2.173 -5.402 4.035 1.00 . A A . 33 CYS CB 1 1 1 475 1 1 33 CYS H H 1.490 -2.967 4.754 1.00 . A A . 33 CYS H 1 1 1 476 1 1 33 CYS HA H 3.104 -5.069 5.946 1.00 . A A . 33 CYS HA 1 1 1 477 1 1 33 CYS HB2 H 2.783 -6.226 3.710 1.00 . A A . 33 CYS HB2 1 1 1 478 1 1 33 CYS HB3 H 1.239 -5.752 4.437 1.00 . A A . 33 CYS HB3 1 1 1 479 1 1 33 CYS N N 2.092 -3.343 5.425 1.00 . A A . 33 CYS N 1 1 1 480 1 1 33 CYS O O 5.236 -4.854 4.446 1.00 . A A . 33 CYS O 1 1 1 481 1 1 33 CYS SG S 1.735 -4.546 2.579 1.00 . A A . 33 CYS SG 1 1 1 482 1 1 34 VAL C C 6.213 -1.216 4.519 1.00 . A A . 34 VAL C 1 1 1 483 1 1 34 VAL CA C 5.622 -2.309 3.544 1.00 . A A . 34 VAL CA 1 1 1 484 1 1 34 VAL CB C 5.382 -1.737 2.130 1.00 . A A . 34 VAL CB 1 1 1 485 1 1 34 VAL CG1 C 4.541 -0.488 2.156 1.00 . A A . 34 VAL CG1 1 1 1 486 1 1 34 VAL CG2 C 6.664 -1.521 1.442 1.00 . A A . 34 VAL CG2 1 1 1 487 1 1 34 VAL H H 3.679 -2.161 4.063 1.00 . A A . 34 VAL H 1 1 1 488 1 1 34 VAL HA H 6.316 -3.134 3.478 1.00 . A A . 34 VAL HA 1 1 1 489 1 1 34 VAL HB H 4.816 -2.453 1.551 1.00 . A A . 34 VAL HB 1 1 1 490 1 1 34 VAL HG11 H 4.463 -0.101 1.149 1.00 . A A . 34 VAL HG11 1 1 1 491 1 1 34 VAL HG12 H 5.051 0.226 2.784 1.00 . A A . 34 VAL HG12 1 1 1 492 1 1 34 VAL HG13 H 3.559 -0.691 2.561 1.00 . A A . 34 VAL HG13 1 1 1 493 1 1 34 VAL HG21 H 7.139 -2.487 1.445 1.00 . A A . 34 VAL HG21 1 1 1 494 1 1 34 VAL HG22 H 7.206 -0.829 2.065 1.00 . A A . 34 VAL HG22 1 1 1 495 1 1 34 VAL HG23 H 6.466 -1.134 0.453 1.00 . A A . 34 VAL HG23 1 1 1 496 1 1 34 VAL N N 4.405 -2.812 4.062 1.00 . A A . 34 VAL N 1 1 1 497 1 1 34 VAL O O 7.146 -0.482 4.192 1.00 . A A . 34 VAL O 1 1 1 498 1 1 35 GLY C C 5.934 1.265 6.373 1.00 . A A . 35 GLY C 1 1 1 499 1 1 35 GLY CA C 6.134 -0.214 6.743 1.00 . A A . 35 GLY CA 1 1 1 500 1 1 35 GLY H H 5.061 -1.897 5.994 1.00 . A A . 35 GLY H 1 1 1 501 1 1 35 GLY HA2 H 5.576 -0.394 7.651 1.00 . A A . 35 GLY HA2 1 1 1 502 1 1 35 GLY HA3 H 7.183 -0.389 6.932 1.00 . A A . 35 GLY HA3 1 1 1 503 1 1 35 GLY N N 5.689 -1.187 5.739 1.00 . A A . 35 GLY N 1 1 1 504 1 1 35 GLY O O 6.816 2.092 6.592 1.00 . A A . 35 GLY O 1 1 1 505 1 1 36 VAL C C 3.634 3.524 6.645 1.00 . A A . 36 VAL C 1 1 1 506 1 1 36 VAL CA C 4.440 2.961 5.516 1.00 . A A . 36 VAL CA 1 1 1 507 1 1 36 VAL CB C 3.579 3.068 4.201 1.00 . A A . 36 VAL CB 1 1 1 508 1 1 36 VAL CG1 C 3.007 4.422 3.968 1.00 . A A . 36 VAL CG1 1 1 1 509 1 1 36 VAL CG2 C 4.359 2.775 3.018 1.00 . A A . 36 VAL CG2 1 1 1 510 1 1 36 VAL H H 4.132 0.886 5.645 1.00 . A A . 36 VAL H 1 1 1 511 1 1 36 VAL HA H 5.343 3.541 5.393 1.00 . A A . 36 VAL HA 1 1 1 512 1 1 36 VAL HB H 2.781 2.344 4.253 1.00 . A A . 36 VAL HB 1 1 1 513 1 1 36 VAL HG11 H 2.536 4.333 2.997 1.00 . A A . 36 VAL HG11 1 1 1 514 1 1 36 VAL HG12 H 3.813 5.135 3.895 1.00 . A A . 36 VAL HG12 1 1 1 515 1 1 36 VAL HG13 H 2.272 4.691 4.711 1.00 . A A . 36 VAL HG13 1 1 1 516 1 1 36 VAL HG21 H 5.422 2.861 3.176 1.00 . A A . 36 VAL HG21 1 1 1 517 1 1 36 VAL HG22 H 4.024 3.549 2.332 1.00 . A A . 36 VAL HG22 1 1 1 518 1 1 36 VAL HG23 H 4.054 1.822 2.611 1.00 . A A . 36 VAL HG23 1 1 1 519 1 1 36 VAL N N 4.797 1.585 5.831 1.00 . A A . 36 VAL N 1 1 1 520 1 1 36 VAL O O 2.842 2.811 7.260 1.00 . A A . 36 VAL O 1 1 1 521 1 1 37 SER C C 2.160 6.355 6.975 1.00 . A A . 37 SER C 1 1 1 522 1 1 37 SER CA C 3.009 5.444 7.849 1.00 . A A . 37 SER CA 1 1 1 523 1 1 37 SER CB C 3.892 6.262 8.791 1.00 . A A . 37 SER CB 1 1 1 524 1 1 37 SER H H 4.428 5.435 6.551 1.00 . A A . 37 SER H 1 1 1 525 1 1 37 SER HA H 2.412 4.729 8.393 1.00 . A A . 37 SER HA 1 1 1 526 1 1 37 SER HB2 H 4.422 7.001 8.207 1.00 . A A . 37 SER HB2 1 1 1 527 1 1 37 SER HB3 H 3.278 6.752 9.533 1.00 . A A . 37 SER HB3 1 1 1 528 1 1 37 SER HG H 4.384 4.899 10.105 1.00 . A A . 37 SER HG 1 1 1 529 1 1 37 SER N N 3.820 4.768 6.926 1.00 . A A . 37 SER N 1 1 1 530 1 1 37 SER O O 2.718 6.987 6.052 1.00 . A A . 37 SER O 1 1 1 531 1 1 37 SER OG O 4.839 5.428 9.437 1.00 . A A . 37 SER OG 1 1 1 532 1 1 38 PRO C C 0.385 8.571 5.968 1.00 . A A . 38 PRO C 1 1 1 533 1 1 38 PRO CA C -0.121 7.179 6.346 1.00 . A A . 38 PRO CA 1 1 1 534 1 1 38 PRO CB C -1.394 7.284 7.218 1.00 . A A . 38 PRO CB 1 1 1 535 1 1 38 PRO CD C 0.118 5.745 8.289 1.00 . A A . 38 PRO CD 1 1 1 536 1 1 38 PRO CG C -1.041 6.666 8.545 1.00 . A A . 38 PRO CG 1 1 1 537 1 1 38 PRO HA H -0.349 6.641 5.437 1.00 . A A . 38 PRO HA 1 1 1 538 1 1 38 PRO HB2 H -1.674 8.321 7.333 1.00 . A A . 38 PRO HB2 1 1 1 539 1 1 38 PRO HB3 H -2.196 6.745 6.736 1.00 . A A . 38 PRO HB3 1 1 1 540 1 1 38 PRO HD2 H 0.741 5.670 9.168 1.00 . A A . 38 PRO HD2 1 1 1 541 1 1 38 PRO HD3 H -0.231 4.771 7.980 1.00 . A A . 38 PRO HD3 1 1 1 542 1 1 38 PRO HG2 H -0.759 7.434 9.253 1.00 . A A . 38 PRO HG2 1 1 1 543 1 1 38 PRO HG3 H -1.888 6.115 8.924 1.00 . A A . 38 PRO HG3 1 1 1 544 1 1 38 PRO N N 0.826 6.417 7.198 1.00 . A A . 38 PRO N 1 1 1 545 1 1 38 PRO O O 0.352 8.967 4.813 1.00 . A A . 38 PRO O 1 1 1 546 1 1 39 GLU C C 2.532 10.694 5.749 1.00 . A A . 39 GLU C 1 1 1 547 1 1 39 GLU CA C 1.405 10.624 6.779 1.00 . A A . 39 GLU CA 1 1 1 548 1 1 39 GLU CB C 1.922 11.129 8.118 1.00 . A A . 39 GLU CB 1 1 1 549 1 1 39 GLU CD C 1.391 11.516 10.546 1.00 . A A . 39 GLU CD 1 1 1 550 1 1 39 GLU CG C 0.909 10.976 9.220 1.00 . A A . 39 GLU CG 1 1 1 551 1 1 39 GLU H H 0.995 8.820 7.816 1.00 . A A . 39 GLU H 1 1 1 552 1 1 39 GLU HA H 0.571 11.241 6.478 1.00 . A A . 39 GLU HA 1 1 1 553 1 1 39 GLU HB2 H 2.819 10.593 8.387 1.00 . A A . 39 GLU HB2 1 1 1 554 1 1 39 GLU HB3 H 2.158 12.178 8.026 1.00 . A A . 39 GLU HB3 1 1 1 555 1 1 39 GLU HG2 H 0.011 11.483 8.900 1.00 . A A . 39 GLU HG2 1 1 1 556 1 1 39 GLU HG3 H 0.698 9.918 9.325 1.00 . A A . 39 GLU HG3 1 1 1 557 1 1 39 GLU N N 0.927 9.260 6.946 1.00 . A A . 39 GLU N 1 1 1 558 1 1 39 GLU O O 2.583 11.598 4.927 1.00 . A A . 39 GLU O 1 1 1 559 1 1 39 GLU OE1 O 2.080 10.779 11.273 1.00 . A A . 39 GLU OE1 1 1 1 560 1 1 39 GLU OE2 O 1.072 12.666 10.887 1.00 . A A . 39 GLU OE2 1 1 1 561 1 1 40 MET C C 4.182 9.473 3.433 1.00 . A A . 40 MET C 1 1 1 562 1 1 40 MET CA C 4.557 9.672 4.890 1.00 . A A . 40 MET CA 1 1 1 563 1 1 40 MET CB C 5.572 8.598 5.320 1.00 . A A . 40 MET CB 1 1 1 564 1 1 40 MET CE C 8.272 10.237 5.368 1.00 . A A . 40 MET CE 1 1 1 565 1 1 40 MET CG C 6.218 8.848 6.672 1.00 . A A . 40 MET CG 1 1 1 566 1 1 40 MET H H 3.073 8.931 6.302 1.00 . A A . 40 MET H 1 1 1 567 1 1 40 MET HA H 5.026 10.638 4.979 1.00 . A A . 40 MET HA 1 1 1 568 1 1 40 MET HB2 H 5.067 7.647 5.364 1.00 . A A . 40 MET HB2 1 1 1 569 1 1 40 MET HB3 H 6.352 8.538 4.575 1.00 . A A . 40 MET HB3 1 1 1 570 1 1 40 MET HE1 H 8.883 9.359 5.522 1.00 . A A . 40 MET HE1 1 1 1 571 1 1 40 MET HE2 H 8.898 11.114 5.302 1.00 . A A . 40 MET HE2 1 1 1 572 1 1 40 MET HE3 H 7.713 10.137 4.448 1.00 . A A . 40 MET HE3 1 1 1 573 1 1 40 MET HG2 H 5.435 8.878 7.418 1.00 . A A . 40 MET HG2 1 1 1 574 1 1 40 MET HG3 H 6.911 8.049 6.896 1.00 . A A . 40 MET HG3 1 1 1 575 1 1 40 MET N N 3.371 9.685 5.754 1.00 . A A . 40 MET N 1 1 1 576 1 1 40 MET O O 4.609 10.227 2.581 1.00 . A A . 40 MET O 1 1 1 577 1 1 40 MET SD S 7.107 10.419 6.731 1.00 . A A . 40 MET SD 1 1 1 578 1 1 41 ALA C C 1.997 9.197 1.192 1.00 . A A . 41 ALA C 1 1 1 579 1 1 41 ALA CA C 2.922 8.145 1.802 1.00 . A A . 41 ALA CA 1 1 1 580 1 1 41 ALA CB C 2.235 6.824 1.790 1.00 . A A . 41 ALA CB 1 1 1 581 1 1 41 ALA H H 2.996 7.925 3.903 1.00 . A A . 41 ALA H 1 1 1 582 1 1 41 ALA HA H 3.805 8.065 1.183 1.00 . A A . 41 ALA HA 1 1 1 583 1 1 41 ALA HB1 H 1.373 6.932 2.436 1.00 . A A . 41 ALA HB1 1 1 1 584 1 1 41 ALA HB2 H 2.908 6.024 2.083 1.00 . A A . 41 ALA HB2 1 1 1 585 1 1 41 ALA HB3 H 1.891 6.658 0.784 1.00 . A A . 41 ALA HB3 1 1 1 586 1 1 41 ALA N N 3.347 8.480 3.168 1.00 . A A . 41 ALA N 1 1 1 587 1 1 41 ALA O O 1.920 9.333 -0.022 1.00 . A A . 41 ALA O 1 1 1 588 1 1 42 GLU C C 1.124 12.263 1.370 1.00 . A A . 42 GLU C 1 1 1 589 1 1 42 GLU CA C 0.369 10.935 1.520 1.00 . A A . 42 GLU CA 1 1 1 590 1 1 42 GLU CB C -0.827 11.096 2.459 1.00 . A A . 42 GLU CB 1 1 1 591 1 1 42 GLU CD C -2.827 10.062 3.594 1.00 . A A . 42 GLU CD 1 1 1 592 1 1 42 GLU CG C -1.707 9.857 2.593 1.00 . A A . 42 GLU CG 1 1 1 593 1 1 42 GLU H H 1.320 9.810 2.997 1.00 . A A . 42 GLU H 1 1 1 594 1 1 42 GLU HA H 0.014 10.621 0.549 1.00 . A A . 42 GLU HA 1 1 1 595 1 1 42 GLU HB2 H -0.438 11.281 3.445 1.00 . A A . 42 GLU HB2 1 1 1 596 1 1 42 GLU HB3 H -1.444 11.920 2.136 1.00 . A A . 42 GLU HB3 1 1 1 597 1 1 42 GLU HG2 H -2.134 9.619 1.628 1.00 . A A . 42 GLU HG2 1 1 1 598 1 1 42 GLU HG3 H -1.091 9.035 2.927 1.00 . A A . 42 GLU HG3 1 1 1 599 1 1 42 GLU N N 1.266 9.913 2.023 1.00 . A A . 42 GLU N 1 1 1 600 1 1 42 GLU O O 0.644 13.202 0.740 1.00 . A A . 42 GLU O 1 1 1 601 1 1 42 GLU OE1 O -2.576 9.981 4.816 1.00 . A A . 42 GLU OE1 1 1 1 602 1 1 42 GLU OE2 O -3.959 10.334 3.180 1.00 . A A . 42 GLU OE2 1 1 1 603 1 1 43 ASN C C 4.227 13.464 0.855 1.00 . A A . 43 ASN C 1 1 1 604 1 1 43 ASN CA C 3.136 13.532 1.904 1.00 . A A . 43 ASN CA 1 1 1 605 1 1 43 ASN CB C 3.737 13.922 3.238 1.00 . A A . 43 ASN CB 1 1 1 606 1 1 43 ASN CG C 2.872 14.866 4.041 1.00 . A A . 43 ASN CG 1 1 1 607 1 1 43 ASN H H 2.497 11.555 2.555 1.00 . A A . 43 ASN H 1 1 1 608 1 1 43 ASN HA H 2.472 14.333 1.608 1.00 . A A . 43 ASN HA 1 1 1 609 1 1 43 ASN HB2 H 3.864 13.009 3.797 1.00 . A A . 43 ASN HB2 1 1 1 610 1 1 43 ASN HB3 H 4.702 14.362 3.066 1.00 . A A . 43 ASN HB3 1 1 1 611 1 1 43 ASN HD21 H 2.021 13.347 4.933 1.00 . A A . 43 ASN HD21 1 1 1 612 1 1 43 ASN HD22 H 1.455 14.919 5.412 1.00 . A A . 43 ASN HD22 1 1 1 613 1 1 43 ASN N N 2.291 12.339 1.998 1.00 . A A . 43 ASN N 1 1 1 614 1 1 43 ASN ND2 N 2.029 14.329 4.878 1.00 . A A . 43 ASN ND2 1 1 1 615 1 1 43 ASN O O 4.350 14.361 0.032 1.00 . A A . 43 ASN O 1 1 1 616 1 1 43 ASN OD1 O 2.985 16.088 3.905 1.00 . A A . 43 ASN OD1 1 1 1 617 1 1 44 GLU C C 5.955 11.160 -0.928 1.00 . A A . 44 GLU C 1 1 1 618 1 1 44 GLU CA C 6.113 12.331 -0.037 1.00 . A A . 44 GLU CA 1 1 1 619 1 1 44 GLU CB C 7.457 12.236 0.689 1.00 . A A . 44 GLU CB 1 1 1 620 1 1 44 GLU CD C 8.049 14.700 0.608 1.00 . A A . 44 GLU CD 1 1 1 621 1 1 44 GLU CG C 7.857 13.469 1.471 1.00 . A A . 44 GLU CG 1 1 1 622 1 1 44 GLU H H 4.761 11.655 1.431 1.00 . A A . 44 GLU H 1 1 1 623 1 1 44 GLU HA H 6.114 13.227 -0.638 1.00 . A A . 44 GLU HA 1 1 1 624 1 1 44 GLU HB2 H 7.426 11.405 1.378 1.00 . A A . 44 GLU HB2 1 1 1 625 1 1 44 GLU HB3 H 8.220 12.041 -0.052 1.00 . A A . 44 GLU HB3 1 1 1 626 1 1 44 GLU HG2 H 7.024 13.669 2.121 1.00 . A A . 44 GLU HG2 1 1 1 627 1 1 44 GLU HG3 H 8.756 13.267 2.036 1.00 . A A . 44 GLU HG3 1 1 1 628 1 1 44 GLU N N 5.001 12.423 0.867 1.00 . A A . 44 GLU N 1 1 1 629 1 1 44 GLU O O 5.156 10.261 -0.654 1.00 . A A . 44 GLU O 1 1 1 630 1 1 44 GLU OE1 O 8.995 14.723 -0.222 1.00 . A A . 44 GLU OE1 1 1 1 631 1 1 44 GLU OE2 O 7.284 15.676 0.772 1.00 . A A . 44 GLU OE2 1 1 1 632 1 1 45 ASP C C 7.202 8.879 -2.241 1.00 . A A . 45 ASP C 1 1 1 633 1 1 45 ASP CA C 6.747 10.114 -2.968 1.00 . A A . 45 ASP CA 1 1 1 634 1 1 45 ASP CB C 7.776 10.442 -4.056 1.00 . A A . 45 ASP CB 1 1 1 635 1 1 45 ASP CG C 7.627 11.840 -4.606 1.00 . A A . 45 ASP CG 1 1 1 636 1 1 45 ASP H H 7.276 11.968 -2.169 1.00 . A A . 45 ASP H 1 1 1 637 1 1 45 ASP HA H 5.770 9.984 -3.410 1.00 . A A . 45 ASP HA 1 1 1 638 1 1 45 ASP HB2 H 8.769 10.345 -3.645 1.00 . A A . 45 ASP HB2 1 1 1 639 1 1 45 ASP HB3 H 7.652 9.740 -4.868 1.00 . A A . 45 ASP HB3 1 1 1 640 1 1 45 ASP N N 6.709 11.185 -1.995 1.00 . A A . 45 ASP N 1 1 1 641 1 1 45 ASP O O 8.183 8.939 -1.468 1.00 . A A . 45 ASP O 1 1 1 642 1 1 45 ASP OD1 O 8.220 12.782 -4.002 1.00 . A A . 45 ASP OD1 1 1 1 643 1 1 45 ASP OD2 O 6.939 12.031 -5.613 1.00 . A A . 45 ASP OD2 1 1 1 644 1 1 46 TYR C C 7.695 5.618 -2.453 1.00 . A A . 46 TYR C 1 1 1 645 1 1 46 TYR CA C 6.911 6.639 -1.687 1.00 . A A . 46 TYR CA 1 1 1 646 1 1 46 TYR CB C 5.791 6.063 -0.824 1.00 . A A . 46 TYR CB 1 1 1 647 1 1 46 TYR CD1 C 7.369 5.030 0.885 1.00 . A A . 46 TYR CD1 1 1 1 648 1 1 46 TYR CD2 C 5.780 3.677 -0.196 1.00 . A A . 46 TYR CD2 1 1 1 649 1 1 46 TYR CE1 C 7.868 3.931 1.566 1.00 . A A . 46 TYR CE1 1 1 1 650 1 1 46 TYR CE2 C 6.261 2.565 0.455 1.00 . A A . 46 TYR CE2 1 1 1 651 1 1 46 TYR CG C 6.300 4.896 -0.009 1.00 . A A . 46 TYR CG 1 1 1 652 1 1 46 TYR CZ C 7.308 2.697 1.341 1.00 . A A . 46 TYR CZ 1 1 1 653 1 1 46 TYR H H 5.896 7.725 -3.176 1.00 . A A . 46 TYR H 1 1 1 654 1 1 46 TYR HA H 7.660 7.005 -1.007 1.00 . A A . 46 TYR HA 1 1 1 655 1 1 46 TYR HB2 H 5.421 6.823 -0.148 1.00 . A A . 46 TYR HB2 1 1 1 656 1 1 46 TYR HB3 H 4.982 5.713 -1.450 1.00 . A A . 46 TYR HB3 1 1 1 657 1 1 46 TYR HD1 H 7.807 6.002 1.054 1.00 . A A . 46 TYR HD1 1 1 1 658 1 1 46 TYR HD2 H 4.958 3.675 -0.883 1.00 . A A . 46 TYR HD2 1 1 1 659 1 1 46 TYR HE1 H 8.689 4.041 2.260 1.00 . A A . 46 TYR HE1 1 1 1 660 1 1 46 TYR HE2 H 5.795 1.609 0.270 1.00 . A A . 46 TYR HE2 1 1 1 661 1 1 46 TYR HH H 7.867 1.726 2.935 1.00 . A A . 46 TYR HH 1 1 1 662 1 1 46 TYR N N 6.560 7.772 -2.452 1.00 . A A . 46 TYR N 1 1 1 663 1 1 46 TYR O O 7.265 5.067 -3.447 1.00 . A A . 46 TYR O 1 1 1 664 1 1 46 TYR OH O 7.797 1.584 1.985 1.00 . A A . 46 TYR OH 1 1 1 665 1 1 47 ILE C C 10.197 3.413 -1.653 1.00 . A A . 47 ILE C 1 1 1 666 1 1 47 ILE CA C 9.816 4.551 -2.563 1.00 . A A . 47 ILE CA 1 1 1 667 1 1 47 ILE CB C 10.983 5.399 -3.021 1.00 . A A . 47 ILE CB 1 1 1 668 1 1 47 ILE CD1 C 11.268 7.397 -4.543 1.00 . A A . 47 ILE CD1 1 1 1 669 1 1 47 ILE CG1 C 10.403 6.327 -4.084 1.00 . A A . 47 ILE CG1 1 1 1 670 1 1 47 ILE CG2 C 12.130 4.539 -3.574 1.00 . A A . 47 ILE CG2 1 1 1 671 1 1 47 ILE H H 8.894 5.905 -1.125 1.00 . A A . 47 ILE H 1 1 1 672 1 1 47 ILE HA H 9.336 4.167 -3.451 1.00 . A A . 47 ILE HA 1 1 1 673 1 1 47 ILE HB H 11.323 6.010 -2.200 1.00 . A A . 47 ILE HB 1 1 1 674 1 1 47 ILE HD11 H 11.431 8.011 -3.674 1.00 . A A . 47 ILE HD11 1 1 1 675 1 1 47 ILE HD12 H 10.664 7.912 -5.274 1.00 . A A . 47 ILE HD12 1 1 1 676 1 1 47 ILE HD13 H 12.153 6.937 -4.956 1.00 . A A . 47 ILE HD13 1 1 1 677 1 1 47 ILE HG12 H 10.153 5.742 -4.954 1.00 . A A . 47 ILE HG12 1 1 1 678 1 1 47 ILE HG13 H 9.490 6.762 -3.705 1.00 . A A . 47 ILE HG13 1 1 1 679 1 1 47 ILE HG21 H 12.924 5.185 -3.914 1.00 . A A . 47 ILE HG21 1 1 1 680 1 1 47 ILE HG22 H 11.779 3.927 -4.389 1.00 . A A . 47 ILE HG22 1 1 1 681 1 1 47 ILE HG23 H 12.505 3.901 -2.786 1.00 . A A . 47 ILE HG23 1 1 1 682 1 1 47 ILE N N 8.861 5.396 -1.961 1.00 . A A . 47 ILE N 1 1 1 683 1 1 47 ILE O O 10.829 3.611 -0.617 1.00 . A A . 47 ILE O 1 1 1 684 1 1 48 CYS C C 11.457 0.718 -1.177 1.00 . A A . 48 CYS C 1 1 1 685 1 1 48 CYS CA C 9.959 1.015 -1.249 1.00 . A A . 48 CYS CA 1 1 1 686 1 1 48 CYS CB C 9.209 -0.193 -1.868 1.00 . A A . 48 CYS CB 1 1 1 687 1 1 48 CYS H H 9.214 2.164 -2.851 1.00 . A A . 48 CYS H 1 1 1 688 1 1 48 CYS HA H 9.572 1.198 -0.256 1.00 . A A . 48 CYS HA 1 1 1 689 1 1 48 CYS HB2 H 9.138 -0.952 -1.099 1.00 . A A . 48 CYS HB2 1 1 1 690 1 1 48 CYS HB3 H 8.203 0.098 -2.139 1.00 . A A . 48 CYS HB3 1 1 1 691 1 1 48 CYS N N 9.741 2.216 -2.028 1.00 . A A . 48 CYS N 1 1 1 692 1 1 48 CYS O O 12.226 1.193 -2.018 1.00 . A A . 48 CYS O 1 1 1 693 1 1 48 CYS SG S 10.015 -0.976 -3.317 1.00 . A A . 48 CYS SG 1 1 1 694 1 1 49 ILE C C 13.922 -1.111 -1.137 1.00 . A A . 49 ILE C 1 1 1 695 1 1 49 ILE CA C 13.264 -0.396 0.004 1.00 . A A . 49 ILE CA 1 1 1 696 1 1 49 ILE CB C 13.442 -1.122 1.325 1.00 . A A . 49 ILE CB 1 1 1 697 1 1 49 ILE CD1 C 13.520 -3.627 0.694 1.00 . A A . 49 ILE CD1 1 1 1 698 1 1 49 ILE CG1 C 12.783 -2.477 1.379 1.00 . A A . 49 ILE CG1 1 1 1 699 1 1 49 ILE CG2 C 12.851 -0.266 2.398 1.00 . A A . 49 ILE CG2 1 1 1 700 1 1 49 ILE H H 11.224 -0.595 0.336 1.00 . A A . 49 ILE H 1 1 1 701 1 1 49 ILE HA H 13.726 0.564 0.131 1.00 . A A . 49 ILE HA 1 1 1 702 1 1 49 ILE HB H 14.496 -1.218 1.514 1.00 . A A . 49 ILE HB 1 1 1 703 1 1 49 ILE HD11 H 12.939 -4.533 0.784 1.00 . A A . 49 ILE HD11 1 1 1 704 1 1 49 ILE HD12 H 14.483 -3.757 1.164 1.00 . A A . 49 ILE HD12 1 1 1 705 1 1 49 ILE HD13 H 13.671 -3.382 -0.347 1.00 . A A . 49 ILE HD13 1 1 1 706 1 1 49 ILE HG12 H 12.820 -2.566 2.443 1.00 . A A . 49 ILE HG12 1 1 1 707 1 1 49 ILE HG13 H 11.754 -2.401 1.066 1.00 . A A . 49 ILE HG13 1 1 1 708 1 1 49 ILE HG21 H 11.825 -0.141 2.076 1.00 . A A . 49 ILE HG21 1 1 1 709 1 1 49 ILE HG22 H 13.366 0.681 2.426 1.00 . A A . 49 ILE HG22 1 1 1 710 1 1 49 ILE HG23 H 12.881 -0.764 3.353 1.00 . A A . 49 ILE HG23 1 1 1 711 1 1 49 ILE N N 11.860 -0.116 -0.234 1.00 . A A . 49 ILE N 1 1 1 712 1 1 49 ILE O O 15.135 -1.079 -1.295 1.00 . A A . 49 ILE O 1 1 1 713 1 1 50 ASN C C 13.980 -1.542 -4.214 1.00 . A A . 50 ASN C 1 1 1 714 1 1 50 ASN CA C 13.532 -2.490 -3.106 1.00 . A A . 50 ASN CA 1 1 1 715 1 1 50 ASN CB C 12.394 -3.402 -3.608 1.00 . A A . 50 ASN CB 1 1 1 716 1 1 50 ASN CG C 11.940 -4.421 -2.567 1.00 . A A . 50 ASN CG 1 1 1 717 1 1 50 ASN H H 12.161 -1.599 -1.659 1.00 . A A . 50 ASN H 1 1 1 718 1 1 50 ASN HA H 14.369 -3.102 -2.802 1.00 . A A . 50 ASN HA 1 1 1 719 1 1 50 ASN HB2 H 11.545 -2.788 -3.869 1.00 . A A . 50 ASN HB2 1 1 1 720 1 1 50 ASN HB3 H 12.739 -3.924 -4.487 1.00 . A A . 50 ASN HB3 1 1 1 721 1 1 50 ASN HD21 H 13.166 -5.802 -3.293 1.00 . A A . 50 ASN HD21 1 1 1 722 1 1 50 ASN HD22 H 12.200 -6.279 -1.955 1.00 . A A . 50 ASN HD22 1 1 1 723 1 1 50 ASN N N 13.097 -1.721 -1.934 1.00 . A A . 50 ASN N 1 1 1 724 1 1 50 ASN ND2 N 12.491 -5.610 -2.607 1.00 . A A . 50 ASN ND2 1 1 1 725 1 1 50 ASN O O 14.885 -1.849 -4.982 1.00 . A A . 50 ASN O 1 1 1 726 1 1 50 ASN OD1 O 11.071 -4.132 -1.742 1.00 . A A . 50 ASN OD1 1 1 1 727 1 1 51 CYS C C 14.679 1.656 -4.668 1.00 . A A . 51 CYS C 1 1 1 728 1 1 51 CYS CA C 13.684 0.651 -5.264 1.00 . A A . 51 CYS CA 1 1 1 729 1 1 51 CYS CB C 12.410 1.374 -5.759 1.00 . A A . 51 CYS CB 1 1 1 730 1 1 51 CYS H H 12.646 -0.189 -3.608 1.00 . A A . 51 CYS H 1 1 1 731 1 1 51 CYS HA H 14.158 0.153 -6.100 1.00 . A A . 51 CYS HA 1 1 1 732 1 1 51 CYS HB2 H 11.873 1.768 -4.911 1.00 . A A . 51 CYS HB2 1 1 1 733 1 1 51 CYS HB3 H 12.626 2.191 -6.435 1.00 . A A . 51 CYS HB3 1 1 1 734 1 1 51 CYS N N 13.349 -0.368 -4.270 1.00 . A A . 51 CYS N 1 1 1 735 1 1 51 CYS O O 15.259 2.474 -5.369 1.00 . A A . 51 CYS O 1 1 1 736 1 1 51 CYS SG S 11.238 0.319 -6.615 1.00 . A A . 51 CYS SG 1 1 1 737 1 1 52 ALA C C 17.235 1.988 -2.770 1.00 . A A . 52 ALA C 1 1 1 738 1 1 52 ALA CA C 15.788 2.453 -2.658 1.00 . A A . 52 ALA CA 1 1 1 739 1 1 52 ALA CB C 15.380 2.561 -1.202 1.00 . A A . 52 ALA CB 1 1 1 740 1 1 52 ALA H H 14.381 0.829 -2.938 1.00 . A A . 52 ALA H 1 1 1 741 1 1 52 ALA HA H 15.707 3.433 -3.108 1.00 . A A . 52 ALA HA 1 1 1 742 1 1 52 ALA HB1 H 14.341 2.847 -1.136 1.00 . A A . 52 ALA HB1 1 1 1 743 1 1 52 ALA HB2 H 15.991 3.309 -0.722 1.00 . A A . 52 ALA HB2 1 1 1 744 1 1 52 ALA HB3 H 15.526 1.608 -0.713 1.00 . A A . 52 ALA HB3 1 1 1 745 1 1 52 ALA N N 14.876 1.557 -3.374 1.00 . A A . 52 ALA N 1 1 1 746 2 2 1 ALA C C 1.304 8.888 -4.184 1.00 . B B . 301 ALA C 1 1 1 747 2 2 1 ALA CA C 2.728 8.956 -3.665 1.00 . B B . 301 ALA CA 1 1 1 748 2 2 1 ALA CB C 2.978 7.750 -2.754 1.00 . B B . 301 ALA CB 1 1 1 749 2 2 1 ALA HA H 3.403 8.884 -4.507 1.00 . B B . 301 ALA HA 1 1 1 750 2 2 1 ALA HB1 H 2.311 7.779 -1.905 1.00 . B B . 301 ALA HB1 1 1 1 751 2 2 1 ALA HB2 H 4.005 7.748 -2.423 1.00 . B B . 301 ALA HB2 1 1 1 752 2 2 1 ALA HB3 H 2.782 6.850 -3.330 1.00 . B B . 301 ALA HB3 1 1 1 753 2 2 1 ALA N N 2.983 10.239 -2.957 1.00 . B B . 301 ALA N 1 1 1 754 2 2 1 ALA O O 0.529 9.860 -4.130 1.00 . B B . 301 ALA O 1 1 1 755 2 2 2 ARG C C -0.950 6.473 -4.213 1.00 . B B . 302 ARG C 1 1 1 756 2 2 2 ARG CA C -0.327 7.467 -5.180 1.00 . B B . 302 ARG CA 1 1 1 757 2 2 2 ARG CB C -0.214 6.921 -6.598 1.00 . B B . 302 ARG CB 1 1 1 758 2 2 2 ARG CD C 0.730 7.383 -8.915 1.00 . B B . 302 ARG CD 1 1 1 759 2 2 2 ARG CG C 0.222 7.985 -7.609 1.00 . B B . 302 ARG CG 1 1 1 760 2 2 2 ARG CZ C 2.654 5.925 -9.568 1.00 . B B . 302 ARG CZ 1 1 1 761 2 2 2 ARG H H 1.675 7.073 -4.786 1.00 . B B . 302 ARG H 1 1 1 762 2 2 2 ARG HA H -0.900 8.383 -5.184 1.00 . B B . 302 ARG HA 1 1 1 763 2 2 2 ARG HB2 H 0.501 6.114 -6.618 1.00 . B B . 302 ARG HB2 1 1 1 764 2 2 2 ARG HB3 H -1.177 6.544 -6.908 1.00 . B B . 302 ARG HB3 1 1 1 765 2 2 2 ARG HD2 H 0.035 6.626 -9.252 1.00 . B B . 302 ARG HD2 1 1 1 766 2 2 2 ARG HD3 H 0.790 8.165 -9.658 1.00 . B B . 302 ARG HD3 1 1 1 767 2 2 2 ARG HE H 2.581 7.092 -7.951 1.00 . B B . 302 ARG HE 1 1 1 768 2 2 2 ARG HG2 H -0.617 8.623 -7.837 1.00 . B B . 302 ARG HG2 1 1 1 769 2 2 2 ARG HG3 H 1.015 8.567 -7.158 1.00 . B B . 302 ARG HG3 1 1 1 770 2 2 2 ARG HH11 H 1.084 5.733 -10.861 1.00 . B B . 302 ARG HH11 1 1 1 771 2 2 2 ARG HH12 H 2.485 4.835 -11.261 1.00 . B B . 302 ARG HH12 1 1 1 772 2 2 2 ARG HH21 H 4.385 5.858 -8.516 1.00 . B B . 302 ARG HH21 1 1 1 773 2 2 2 ARG HH22 H 4.325 4.847 -9.935 1.00 . B B . 302 ARG HH22 1 1 1 774 2 2 2 ARG N N 0.978 7.762 -4.713 1.00 . B B . 302 ARG N 1 1 1 775 2 2 2 ARG NE N 2.069 6.787 -8.740 1.00 . B B . 302 ARG NE 1 1 1 776 2 2 2 ARG NH1 N 2.019 5.465 -10.633 1.00 . B B . 302 ARG NH1 1 1 1 777 2 2 2 ARG NH2 N 3.881 5.518 -9.316 1.00 . B B . 302 ARG NH2 1 1 1 778 2 2 2 ARG O O -0.458 5.365 -4.049 1.00 . B B . 302 ARG O 1 1 1 779 2 2 3 THR C C -3.991 5.623 -2.950 1.00 . B B . 303 THR C 1 1 1 780 2 2 3 THR CA C -2.603 6.067 -2.524 1.00 . B B . 303 THR CA 1 1 1 781 2 2 3 THR CB C -2.674 6.807 -1.158 1.00 . B B . 303 THR CB 1 1 1 782 2 2 3 THR CG2 C -1.285 6.948 -0.583 1.00 . B B . 303 THR CG2 1 1 1 783 2 2 3 THR H H -2.349 7.783 -3.687 1.00 . B B . 303 THR H 1 1 1 784 2 2 3 THR HA H -1.982 5.189 -2.389 1.00 . B B . 303 THR HA 1 1 1 785 2 2 3 THR HB H -3.277 6.217 -0.485 1.00 . B B . 303 THR HB 1 1 1 786 2 2 3 THR HG1 H -3.496 8.452 -0.418 1.00 . B B . 303 THR HG1 1 1 1 787 2 2 3 THR HG21 H -0.897 5.945 -0.470 1.00 . B B . 303 THR HG21 1 1 1 788 2 2 3 THR HG22 H -1.299 7.459 0.369 1.00 . B B . 303 THR HG22 1 1 1 789 2 2 3 THR HG23 H -0.677 7.492 -1.294 1.00 . B B . 303 THR HG23 1 1 1 790 2 2 3 THR N N -1.973 6.892 -3.527 1.00 . B B . 303 THR N 1 1 1 791 2 2 3 THR O O -4.514 6.082 -3.981 1.00 . B B . 303 THR O 1 1 1 792 2 2 3 THR OG1 O -3.294 8.113 -1.299 1.00 . B B . 303 THR OG1 1 1 1 793 2 2 4 . C C -6.438 3.462 -1.244 1.00 . B B . 304 M3L C 1 1 1 794 2 2 4 . CA C -5.936 4.228 -2.430 1.00 . B B . 304 M3L CA 1 1 1 795 2 2 4 . CB C -5.967 3.313 -3.649 1.00 . B B . 304 M3L CB 1 1 1 796 2 2 4 . CD C -4.921 1.331 -4.729 1.00 . B B . 304 M3L CD 1 1 1 797 2 2 4 . CE C -6.171 0.582 -5.097 1.00 . B B . 304 M3L CE 1 1 1 798 2 2 4 . CG C -5.052 2.164 -3.498 1.00 . B B . 304 M3L CG 1 1 1 799 2 2 4 . CM1 C -4.813 -1.157 -6.217 1.00 . B B . 304 M3L CM1 1 1 1 800 2 2 4 . CM2 C -5.751 0.687 -7.523 1.00 . B B . 304 M3L CM2 1 1 1 801 2 2 4 . CM3 C -7.151 -1.083 -6.591 1.00 . B B . 304 M3L CM3 1 1 1 802 2 2 4 . H H -4.086 4.349 -1.402 1.00 . B B . 304 M3L H 1 1 1 803 2 2 4 . HA H -6.584 5.070 -2.608 1.00 . B B . 304 M3L HA 1 1 1 804 2 2 4 . HB2 H -5.721 3.861 -4.546 1.00 . B B . 304 M3L HB2 1 1 1 805 2 2 4 . HB3 H -6.958 2.884 -3.697 1.00 . B B . 304 M3L HB3 1 1 1 806 2 2 4 . HD2 H -4.106 0.645 -4.562 1.00 . B B . 304 M3L HD2 1 1 1 807 2 2 4 . HD3 H -4.658 1.992 -5.533 1.00 . B B . 304 M3L HD3 1 1 1 808 2 2 4 . HE2 H -6.981 1.284 -5.235 1.00 . B B . 304 M3L HE2 1 1 1 809 2 2 4 . HE3 H -6.391 -0.048 -4.251 1.00 . B B . 304 M3L HE3 1 1 1 810 2 2 4 . HG2 H -5.437 1.553 -2.694 1.00 . B B . 304 M3L HG2 1 1 1 811 2 2 4 . HG3 H -4.079 2.560 -3.255 1.00 . B B . 304 M3L HG3 1 1 1 812 2 2 4 . HM11 H -4.874 -1.857 -5.390 1.00 . B B . 304 M3L HM11 1 1 1 813 2 2 4 . HM12 H -3.895 -0.590 -6.110 1.00 . B B . 304 M3L HM12 1 1 1 814 2 2 4 . HM13 H -4.628 -1.737 -7.109 1.00 . B B . 304 M3L HM13 1 1 1 815 2 2 4 . HM21 H -5.644 0.160 -8.459 1.00 . B B . 304 M3L HM21 1 1 1 816 2 2 4 . HM22 H -4.854 1.275 -7.403 1.00 . B B . 304 M3L HM22 1 1 1 817 2 2 4 . HM23 H -6.536 1.414 -7.654 1.00 . B B . 304 M3L HM23 1 1 1 818 2 2 4 . HM31 H -8.034 -0.522 -6.856 1.00 . B B . 304 M3L HM31 1 1 1 819 2 2 4 . HM32 H -7.422 -1.669 -5.726 1.00 . B B . 304 M3L HM32 1 1 1 820 2 2 4 . HM33 H -7.000 -1.797 -7.385 1.00 . B B . 304 M3L HM33 1 1 1 821 2 2 4 . N N -4.575 4.720 -2.176 1.00 . B B . 304 M3L N 1 1 1 822 2 2 4 . NZ N -5.973 -0.244 -6.357 1.00 . B B . 304 M3L NZ 1 1 1 823 2 2 4 . O O -5.660 3.108 -0.347 1.00 . B B . 304 M3L O 1 1 1 824 2 2 5 GLN C C -9.417 1.572 -0.868 1.00 . B B . 305 GLN C 1 1 1 825 2 2 5 GLN CA C -8.351 2.440 -0.220 1.00 . B B . 305 GLN CA 1 1 1 826 2 2 5 GLN CB C -8.966 3.382 0.816 1.00 . B B . 305 GLN CB 1 1 1 827 2 2 5 GLN CD C -10.102 3.651 3.038 1.00 . B B . 305 GLN CD 1 1 1 828 2 2 5 GLN CG C -9.540 2.678 2.034 1.00 . B B . 305 GLN CG 1 1 1 829 2 2 5 GLN H H -8.276 3.511 -1.991 1.00 . B B . 305 GLN H 1 1 1 830 2 2 5 GLN HA H -7.616 1.806 0.251 1.00 . B B . 305 GLN HA 1 1 1 831 2 2 5 GLN HB2 H -8.213 4.073 1.162 1.00 . B B . 305 GLN HB2 1 1 1 832 2 2 5 GLN HB3 H -9.755 3.943 0.342 1.00 . B B . 305 GLN HB3 1 1 1 833 2 2 5 GLN HE21 H -8.312 3.848 3.858 1.00 . B B . 305 GLN HE21 1 1 1 834 2 2 5 GLN HE22 H -9.580 4.774 4.582 1.00 . B B . 305 GLN HE22 1 1 1 835 2 2 5 GLN HG2 H -10.332 2.018 1.711 1.00 . B B . 305 GLN HG2 1 1 1 836 2 2 5 GLN HG3 H -8.755 2.102 2.500 1.00 . B B . 305 GLN HG3 1 1 1 837 2 2 5 GLN N N -7.714 3.193 -1.254 1.00 . B B . 305 GLN N 1 1 1 838 2 2 5 GLN NE2 N -9.263 4.137 3.907 1.00 . B B . 305 GLN NE2 1 1 1 839 2 2 5 GLN O O -10.355 2.083 -1.478 1.00 . B B . 305 GLN O 1 1 1 840 2 2 5 GLN OE1 O -11.291 3.989 3.003 1.00 . B B . 305 GLN OE1 1 1 1 841 2 2 6 THR C C -11.270 -1.011 -0.365 1.00 . B B . 306 THR C 1 1 1 842 2 2 6 THR CA C -10.187 -0.644 -1.376 1.00 . B B . 306 THR CA 1 1 1 843 2 2 6 THR CB C -9.460 -1.924 -1.846 1.00 . B B . 306 THR CB 1 1 1 844 2 2 6 THR CG2 C -8.457 -1.614 -2.974 1.00 . B B . 306 THR CG2 1 1 1 845 2 2 6 THR H H -8.481 -0.056 -0.262 1.00 . B B . 306 THR H 1 1 1 846 2 2 6 THR HA H -10.637 -0.162 -2.230 1.00 . B B . 306 THR HA 1 1 1 847 2 2 6 THR HB H -10.192 -2.635 -2.198 1.00 . B B . 306 THR HB 1 1 1 848 2 2 6 THR HG1 H -9.373 -2.407 0.025 1.00 . B B . 306 THR HG1 1 1 1 849 2 2 6 THR HG21 H -7.683 -0.945 -2.621 1.00 . B B . 306 THR HG21 1 1 1 850 2 2 6 THR HG22 H -8.962 -1.168 -3.817 1.00 . B B . 306 THR HG22 1 1 1 851 2 2 6 THR HG23 H -7.942 -2.516 -3.282 1.00 . B B . 306 THR HG23 1 1 1 852 2 2 6 THR N N -9.250 0.282 -0.773 1.00 . B B . 306 THR N 1 1 1 853 2 2 6 THR O O -10.955 -1.383 0.783 1.00 . B B . 306 THR O 1 1 1 854 2 2 6 THR OG1 O -8.763 -2.495 -0.723 1.00 . B B . 306 THR OG1 1 1 1 855 2 2 7 ALA C C -14.236 -2.562 -0.263 1.00 . B B . 307 ALA C 1 1 1 856 2 2 7 ALA CA C -13.623 -1.217 0.097 1.00 . B B . 307 ALA CA 1 1 1 857 2 2 7 ALA CB C -14.671 -0.102 0.087 1.00 . B B . 307 ALA CB 1 1 1 858 2 2 7 ALA H H -12.708 -0.650 -1.702 1.00 . B B . 307 ALA H 1 1 1 859 2 2 7 ALA HA H -13.219 -1.298 1.096 1.00 . B B . 307 ALA HA 1 1 1 860 2 2 7 ALA HB1 H -15.128 -0.005 -0.885 1.00 . B B . 307 ALA HB1 1 1 1 861 2 2 7 ALA HB2 H -14.196 0.829 0.360 1.00 . B B . 307 ALA HB2 1 1 1 862 2 2 7 ALA HB3 H -15.426 -0.320 0.829 1.00 . B B . 307 ALA HB3 1 1 1 863 2 2 7 ALA N N -12.516 -0.911 -0.775 1.00 . B B . 307 ALA N 1 1 1 864 2 2 7 ALA O O -14.771 -2.749 -1.347 1.00 . B B . 307 ALA O 1 1 1 865 2 2 8 ARG C C -15.806 -5.068 1.400 1.00 . B B . 308 ARG C 1 1 1 866 2 2 8 ARG CA C -14.606 -4.824 0.508 1.00 . B B . 308 ARG CA 1 1 1 867 2 2 8 ARG CB C -13.480 -5.773 0.918 1.00 . B B . 308 ARG CB 1 1 1 868 2 2 8 ARG CD C -12.584 -6.281 -1.344 1.00 . B B . 308 ARG CD 1 1 1 869 2 2 8 ARG CG C -12.263 -5.716 0.020 1.00 . B B . 308 ARG CG 1 1 1 870 2 2 8 ARG CZ C -13.476 -8.441 -2.230 1.00 . B B . 308 ARG CZ 1 1 1 871 2 2 8 ARG H H -13.743 -3.227 1.518 1.00 . B B . 308 ARG H 1 1 1 872 2 2 8 ARG HA H -14.870 -5.025 -0.519 1.00 . B B . 308 ARG HA 1 1 1 873 2 2 8 ARG HB2 H -13.166 -5.528 1.922 1.00 . B B . 308 ARG HB2 1 1 1 874 2 2 8 ARG HB3 H -13.854 -6.786 0.915 1.00 . B B . 308 ARG HB3 1 1 1 875 2 2 8 ARG HD2 H -13.387 -5.708 -1.783 1.00 . B B . 308 ARG HD2 1 1 1 876 2 2 8 ARG HD3 H -11.707 -6.222 -1.969 1.00 . B B . 308 ARG HD3 1 1 1 877 2 2 8 ARG HE H -12.898 -8.078 -0.334 1.00 . B B . 308 ARG HE 1 1 1 878 2 2 8 ARG HG2 H -11.957 -4.687 -0.097 1.00 . B B . 308 ARG HG2 1 1 1 879 2 2 8 ARG HG3 H -11.469 -6.296 0.463 1.00 . B B . 308 ARG HG3 1 1 1 880 2 2 8 ARG HH11 H -13.404 -6.977 -3.678 1.00 . B B . 308 ARG HH11 1 1 1 881 2 2 8 ARG HH12 H -13.990 -8.492 -4.193 1.00 . B B . 308 ARG HH12 1 1 1 882 2 2 8 ARG HH21 H -13.715 -10.145 -1.101 1.00 . B B . 308 ARG HH21 1 1 1 883 2 2 8 ARG HH22 H -14.157 -10.277 -2.760 1.00 . B B . 308 ARG HH22 1 1 1 884 2 2 8 ARG N N -14.147 -3.473 0.652 1.00 . B B . 308 ARG N 1 1 1 885 2 2 8 ARG NE N -12.997 -7.695 -1.233 1.00 . B B . 308 ARG NE 1 1 1 886 2 2 8 ARG NH1 N -13.628 -7.927 -3.445 1.00 . B B . 308 ARG NH1 1 1 1 887 2 2 8 ARG NH2 N -13.807 -9.712 -2.005 1.00 . B B . 308 ARG NH2 1 1 1 888 2 2 8 ARG O O -15.882 -4.536 2.508 1.00 . B B . 308 ARG O 1 1 1 889 2 2 9 LYS C C -18.657 -5.132 2.360 1.00 . B B . 309 LYS C 1 1 1 890 2 2 9 LYS CA C -17.945 -6.296 1.641 1.00 . B B . 309 LYS CA 1 1 1 891 2 2 9 LYS CB C -17.569 -7.413 2.644 1.00 . B B . 309 LYS CB 1 1 1 892 2 2 9 LYS CD C -17.804 -9.321 0.985 1.00 . B B . 309 LYS CD 1 1 1 893 2 2 9 LYS CE C -17.090 -10.503 0.332 1.00 . B B . 309 LYS CE 1 1 1 894 2 2 9 LYS CG C -16.905 -8.636 2.011 1.00 . B B . 309 LYS CG 1 1 1 895 2 2 9 LYS H H -16.653 -6.142 -0.042 1.00 . B B . 309 LYS H 1 1 1 896 2 2 9 LYS HA H -18.639 -6.703 0.920 1.00 . B B . 309 LYS HA 1 1 1 897 2 2 9 LYS HB2 H -16.874 -7.015 3.369 1.00 . B B . 309 LYS HB2 1 1 1 898 2 2 9 LYS HB3 H -18.462 -7.745 3.152 1.00 . B B . 309 LYS HB3 1 1 1 899 2 2 9 LYS HD2 H -18.708 -9.665 1.465 1.00 . B B . 309 LYS HD2 1 1 1 900 2 2 9 LYS HD3 H -18.078 -8.620 0.214 1.00 . B B . 309 LYS HD3 1 1 1 901 2 2 9 LYS HE2 H -16.199 -10.154 -0.170 1.00 . B B . 309 LYS HE2 1 1 1 902 2 2 9 LYS HE3 H -16.818 -11.212 1.101 1.00 . B B . 309 LYS HE3 1 1 1 903 2 2 9 LYS HG2 H -15.999 -8.317 1.517 1.00 . B B . 309 LYS HG2 1 1 1 904 2 2 9 LYS HG3 H -16.660 -9.333 2.798 1.00 . B B . 309 LYS HG3 1 1 1 905 2 2 9 LYS HZ1 H -18.801 -11.548 -0.229 1.00 . B B . 309 LYS HZ1 1 1 1 906 2 2 9 LYS HZ2 H -17.451 -11.981 -1.117 1.00 . B B . 309 LYS HZ2 1 1 1 907 2 2 9 LYS HZ3 H -18.247 -10.542 -1.440 1.00 . B B . 309 LYS HZ3 1 1 1 908 2 2 9 LYS N N -16.749 -5.854 0.890 1.00 . B B . 309 LYS N 1 1 1 909 2 2 9 LYS NZ N -17.942 -11.178 -0.677 1.00 . B B . 309 LYS NZ 1 1 1 910 3 3 1 ZN ZN ZN 9.388 0.025 -5.292 1.00 . C A . 53 ZN ZN 1 1 1 911 4 3 1 ZN ZN ZN 0.462 -5.850 1.175 1.00 . D A . 54 ZN ZN 1 1 2 912 1 1 1 SER C C -5.038 -8.614 -0.920 1.00 . A A . 1 SER C 1 1 2 913 1 1 1 SER CA C -6.556 -8.513 -1.235 1.00 . A A . 1 SER CA 1 1 2 914 1 1 1 SER CB C -7.039 -9.694 -2.110 1.00 . A A . 1 SER CB 1 1 2 915 1 1 1 SER HA H -7.073 -8.544 -0.287 1.00 . A A . 1 SER HA 1 1 2 916 1 1 1 SER HB2 H -6.692 -10.615 -1.667 1.00 . A A . 1 SER HB2 1 1 2 917 1 1 1 SER HB3 H -8.118 -9.695 -2.146 1.00 . A A . 1 SER HB3 1 1 2 918 1 1 1 SER HG H -6.505 -10.494 -3.815 1.00 . A A . 1 SER HG 1 1 2 919 1 1 1 SER N N -6.915 -7.211 -1.860 1.00 . A A . 1 SER N 1 1 2 920 1 1 1 SER O O -4.598 -8.309 0.210 1.00 . A A . 1 SER O 1 1 2 921 1 1 1 SER OG O -6.523 -9.602 -3.440 1.00 . A A . 1 SER OG 1 1 2 922 1 1 2 VAL C C -2.165 -8.103 -2.678 1.00 . A A . 2 VAL C 1 1 2 923 1 1 2 VAL CA C -2.822 -9.131 -1.777 1.00 . A A . 2 VAL CA 1 1 2 924 1 1 2 VAL CB C -2.318 -10.550 -2.189 1.00 . A A . 2 VAL CB 1 1 2 925 1 1 2 VAL CG1 C -0.822 -10.724 -1.894 1.00 . A A . 2 VAL CG1 1 1 2 926 1 1 2 VAL CG2 C -3.132 -11.643 -1.528 1.00 . A A . 2 VAL CG2 1 1 2 927 1 1 2 VAL H H -4.675 -9.143 -2.790 1.00 . A A . 2 VAL H 1 1 2 928 1 1 2 VAL HA H -2.591 -8.941 -0.735 1.00 . A A . 2 VAL HA 1 1 2 929 1 1 2 VAL HB H -2.432 -10.627 -3.258 1.00 . A A . 2 VAL HB 1 1 2 930 1 1 2 VAL HG11 H -0.636 -10.602 -0.836 1.00 . A A . 2 VAL HG11 1 1 2 931 1 1 2 VAL HG12 H -0.265 -9.974 -2.439 1.00 . A A . 2 VAL HG12 1 1 2 932 1 1 2 VAL HG13 H -0.512 -11.707 -2.215 1.00 . A A . 2 VAL HG13 1 1 2 933 1 1 2 VAL HG21 H -3.048 -11.550 -0.455 1.00 . A A . 2 VAL HG21 1 1 2 934 1 1 2 VAL HG22 H -2.764 -12.612 -1.832 1.00 . A A . 2 VAL HG22 1 1 2 935 1 1 2 VAL HG23 H -4.169 -11.538 -1.810 1.00 . A A . 2 VAL HG23 1 1 2 936 1 1 2 VAL N N -4.257 -8.981 -1.912 1.00 . A A . 2 VAL N 1 1 2 937 1 1 2 VAL O O -2.669 -7.807 -3.752 1.00 . A A . 2 VAL O 1 1 2 938 1 1 3 CYS C C 1.042 -7.066 -3.182 1.00 . A A . 3 CYS C 1 1 2 939 1 1 3 CYS CA C -0.381 -6.525 -2.976 1.00 . A A . 3 CYS CA 1 1 2 940 1 1 3 CYS CB C -0.287 -5.277 -2.153 1.00 . A A . 3 CYS CB 1 1 2 941 1 1 3 CYS H H -0.627 -7.827 -1.421 1.00 . A A . 3 CYS H 1 1 2 942 1 1 3 CYS HA H -0.865 -6.338 -3.921 1.00 . A A . 3 CYS HA 1 1 2 943 1 1 3 CYS HB2 H -0.187 -4.416 -2.801 1.00 . A A . 3 CYS HB2 1 1 2 944 1 1 3 CYS HB3 H -1.183 -5.180 -1.554 1.00 . A A . 3 CYS HB3 1 1 2 945 1 1 3 CYS N N -1.086 -7.551 -2.239 1.00 . A A . 3 CYS N 1 1 2 946 1 1 3 CYS O O 1.359 -8.140 -2.646 1.00 . A A . 3 CYS O 1 1 2 947 1 1 3 CYS SG S 1.108 -5.321 -1.045 1.00 . A A . 3 CYS SG 1 1 2 948 1 1 4 ALA C C 4.274 -6.373 -3.125 1.00 . A A . 4 ALA C 1 1 2 949 1 1 4 ALA CA C 3.211 -6.949 -4.081 1.00 . A A . 4 ALA CA 1 1 2 950 1 1 4 ALA CB C 3.658 -6.792 -5.509 1.00 . A A . 4 ALA CB 1 1 2 951 1 1 4 ALA H H 1.529 -5.478 -4.107 1.00 . A A . 4 ALA H 1 1 2 952 1 1 4 ALA HA H 3.127 -8.007 -3.882 1.00 . A A . 4 ALA HA 1 1 2 953 1 1 4 ALA HB1 H 3.782 -5.733 -5.689 1.00 . A A . 4 ALA HB1 1 1 2 954 1 1 4 ALA HB2 H 2.892 -7.196 -6.153 1.00 . A A . 4 ALA HB2 1 1 2 955 1 1 4 ALA HB3 H 4.595 -7.309 -5.645 1.00 . A A . 4 ALA HB3 1 1 2 956 1 1 4 ALA N N 1.907 -6.360 -3.900 1.00 . A A . 4 ALA N 1 1 2 957 1 1 4 ALA O O 5.165 -5.619 -3.523 1.00 . A A . 4 ALA O 1 1 2 958 1 1 5 ALA C C 5.720 -7.908 -0.377 1.00 . A A . 5 ALA C 1 1 2 959 1 1 5 ALA CA C 5.193 -6.548 -0.858 1.00 . A A . 5 ALA CA 1 1 2 960 1 1 5 ALA CB C 4.730 -5.676 0.332 1.00 . A A . 5 ALA CB 1 1 2 961 1 1 5 ALA H H 3.172 -6.684 -1.619 1.00 . A A . 5 ALA H 1 1 2 962 1 1 5 ALA HA H 6.000 -6.034 -1.359 1.00 . A A . 5 ALA HA 1 1 2 963 1 1 5 ALA HB1 H 5.577 -5.411 0.948 1.00 . A A . 5 ALA HB1 1 1 2 964 1 1 5 ALA HB2 H 4.023 -6.208 0.954 1.00 . A A . 5 ALA HB2 1 1 2 965 1 1 5 ALA HB3 H 4.269 -4.766 -0.028 1.00 . A A . 5 ALA HB3 1 1 2 966 1 1 5 ALA N N 4.113 -6.699 -1.847 1.00 . A A . 5 ALA N 1 1 2 967 1 1 5 ALA O O 4.950 -8.832 -0.162 1.00 . A A . 5 ALA O 1 1 2 968 1 1 6 GLN C C 7.163 -9.867 1.439 1.00 . A A . 6 GLN C 1 1 2 969 1 1 6 GLN CA C 7.771 -9.236 0.176 1.00 . A A . 6 GLN CA 1 1 2 970 1 1 6 GLN CB C 9.279 -8.945 0.379 1.00 . A A . 6 GLN CB 1 1 2 971 1 1 6 GLN CD C 11.584 -9.850 0.990 1.00 . A A . 6 GLN CD 1 1 2 972 1 1 6 GLN CG C 10.100 -10.152 0.844 1.00 . A A . 6 GLN CG 1 1 2 973 1 1 6 GLN H H 7.511 -7.231 -0.637 1.00 . A A . 6 GLN H 1 1 2 974 1 1 6 GLN HA H 7.681 -9.978 -0.602 1.00 . A A . 6 GLN HA 1 1 2 975 1 1 6 GLN HB2 H 9.690 -8.613 -0.564 1.00 . A A . 6 GLN HB2 1 1 2 976 1 1 6 GLN HB3 H 9.392 -8.154 1.104 1.00 . A A . 6 GLN HB3 1 1 2 977 1 1 6 GLN HE21 H 11.346 -9.337 2.885 1.00 . A A . 6 GLN HE21 1 1 2 978 1 1 6 GLN HE22 H 12.955 -9.260 2.252 1.00 . A A . 6 GLN HE22 1 1 2 979 1 1 6 GLN HG2 H 9.721 -10.457 1.806 1.00 . A A . 6 GLN HG2 1 1 2 980 1 1 6 GLN HG3 H 9.974 -10.965 0.147 1.00 . A A . 6 GLN HG3 1 1 2 981 1 1 6 GLN N N 7.052 -8.011 -0.282 1.00 . A A . 6 GLN N 1 1 2 982 1 1 6 GLN NE2 N 11.995 -9.440 2.161 1.00 . A A . 6 GLN NE2 1 1 2 983 1 1 6 GLN O O 6.888 -11.063 1.461 1.00 . A A . 6 GLN O 1 1 2 984 1 1 6 GLN OE1 O 12.360 -10.002 0.049 1.00 . A A . 6 GLN OE1 1 1 2 985 1 1 7 ASN C C 4.976 -9.018 3.811 1.00 . A A . 7 ASN C 1 1 2 986 1 1 7 ASN CA C 6.348 -9.624 3.673 1.00 . A A . 7 ASN CA 1 1 2 987 1 1 7 ASN CB C 7.206 -9.315 4.914 1.00 . A A . 7 ASN CB 1 1 2 988 1 1 7 ASN CG C 6.780 -10.096 6.180 1.00 . A A . 7 ASN CG 1 1 2 989 1 1 7 ASN H H 7.164 -8.132 2.379 1.00 . A A . 7 ASN H 1 1 2 990 1 1 7 ASN HA H 6.255 -10.693 3.551 1.00 . A A . 7 ASN HA 1 1 2 991 1 1 7 ASN HB2 H 8.216 -9.581 4.647 1.00 . A A . 7 ASN HB2 1 1 2 992 1 1 7 ASN HB3 H 7.165 -8.253 5.111 1.00 . A A . 7 ASN HB3 1 1 2 993 1 1 7 ASN HD21 H 8.618 -9.955 6.906 1.00 . A A . 7 ASN HD21 1 1 2 994 1 1 7 ASN HD22 H 7.478 -10.787 7.906 1.00 . A A . 7 ASN HD22 1 1 2 995 1 1 7 ASN N N 6.945 -9.087 2.461 1.00 . A A . 7 ASN N 1 1 2 996 1 1 7 ASN ND2 N 7.716 -10.307 7.085 1.00 . A A . 7 ASN ND2 1 1 2 997 1 1 7 ASN O O 4.759 -8.085 4.586 1.00 . A A . 7 ASN O 1 1 2 998 1 1 7 ASN OD1 O 5.630 -10.494 6.346 1.00 . A A . 7 ASN OD1 1 1 2 999 1 1 8 CYS C C 1.768 -9.793 3.733 1.00 . A A . 8 CYS C 1 1 2 1000 1 1 8 CYS CA C 2.766 -8.934 2.951 1.00 . A A . 8 CYS CA 1 1 2 1001 1 1 8 CYS CB C 2.282 -8.637 1.515 1.00 . A A . 8 CYS CB 1 1 2 1002 1 1 8 CYS H H 4.259 -10.180 2.329 1.00 . A A . 8 CYS H 1 1 2 1003 1 1 8 CYS HA H 2.842 -7.998 3.468 1.00 . A A . 8 CYS HA 1 1 2 1004 1 1 8 CYS HB2 H 2.882 -7.871 1.051 1.00 . A A . 8 CYS HB2 1 1 2 1005 1 1 8 CYS HB3 H 2.363 -9.542 0.929 1.00 . A A . 8 CYS HB3 1 1 2 1006 1 1 8 CYS N N 4.085 -9.457 2.965 1.00 . A A . 8 CYS N 1 1 2 1007 1 1 8 CYS O O 1.945 -11.002 3.906 1.00 . A A . 8 CYS O 1 1 2 1008 1 1 8 CYS SG S 0.563 -8.087 1.408 1.00 . A A . 8 CYS SG 1 1 2 1009 1 1 9 GLN C C -1.612 -9.445 4.036 1.00 . A A . 9 GLN C 1 1 2 1010 1 1 9 GLN CA C -0.363 -9.750 4.845 1.00 . A A . 9 GLN CA 1 1 2 1011 1 1 9 GLN CB C -0.535 -9.288 6.297 1.00 . A A . 9 GLN CB 1 1 2 1012 1 1 9 GLN CD C 0.373 -9.246 8.654 1.00 . A A . 9 GLN CD 1 1 2 1013 1 1 9 GLN CG C 0.640 -9.620 7.204 1.00 . A A . 9 GLN CG 1 1 2 1014 1 1 9 GLN H H 0.847 -8.188 3.974 1.00 . A A . 9 GLN H 1 1 2 1015 1 1 9 GLN HA H -0.200 -10.816 4.816 1.00 . A A . 9 GLN HA 1 1 2 1016 1 1 9 GLN HB2 H -0.689 -8.219 6.316 1.00 . A A . 9 GLN HB2 1 1 2 1017 1 1 9 GLN HB3 H -1.413 -9.764 6.709 1.00 . A A . 9 GLN HB3 1 1 2 1018 1 1 9 GLN HE21 H -0.343 -11.060 9.013 1.00 . A A . 9 GLN HE21 1 1 2 1019 1 1 9 GLN HE22 H -0.362 -9.969 10.346 1.00 . A A . 9 GLN HE22 1 1 2 1020 1 1 9 GLN HG2 H 0.829 -10.682 7.157 1.00 . A A . 9 GLN HG2 1 1 2 1021 1 1 9 GLN HG3 H 1.511 -9.085 6.857 1.00 . A A . 9 GLN HG3 1 1 2 1022 1 1 9 GLN N N 0.748 -9.131 4.198 1.00 . A A . 9 GLN N 1 1 2 1023 1 1 9 GLN NE2 N -0.158 -10.184 9.411 1.00 . A A . 9 GLN NE2 1 1 2 1024 1 1 9 GLN O O -1.772 -8.318 3.521 1.00 . A A . 9 GLN O 1 1 2 1025 1 1 9 GLN OE1 O 0.645 -8.128 9.086 1.00 . A A . 9 GLN OE1 1 1 2 1026 1 1 10 ARG C C -4.849 -10.044 4.110 1.00 . A A . 10 ARG C 1 1 2 1027 1 1 10 ARG CA C -3.686 -10.335 3.150 1.00 . A A . 10 ARG CA 1 1 2 1028 1 1 10 ARG CB C -3.928 -11.660 2.415 1.00 . A A . 10 ARG CB 1 1 2 1029 1 1 10 ARG CD C -5.352 -13.062 0.909 1.00 . A A . 10 ARG CD 1 1 2 1030 1 1 10 ARG CG C -5.203 -11.715 1.593 1.00 . A A . 10 ARG CG 1 1 2 1031 1 1 10 ARG CZ C -6.823 -14.144 -0.782 1.00 . A A . 10 ARG CZ 1 1 2 1032 1 1 10 ARG H H -2.299 -11.277 4.338 1.00 . A A . 10 ARG H 1 1 2 1033 1 1 10 ARG HA H -3.586 -9.543 2.421 1.00 . A A . 10 ARG HA 1 1 2 1034 1 1 10 ARG HB2 H -3.091 -11.850 1.757 1.00 . A A . 10 ARG HB2 1 1 2 1035 1 1 10 ARG HB3 H -3.970 -12.445 3.154 1.00 . A A . 10 ARG HB3 1 1 2 1036 1 1 10 ARG HD2 H -4.494 -13.219 0.276 1.00 . A A . 10 ARG HD2 1 1 2 1037 1 1 10 ARG HD3 H -5.395 -13.840 1.658 1.00 . A A . 10 ARG HD3 1 1 2 1038 1 1 10 ARG HE H -7.186 -12.397 0.167 1.00 . A A . 10 ARG HE 1 1 2 1039 1 1 10 ARG HG2 H -6.041 -11.579 2.263 1.00 . A A . 10 ARG HG2 1 1 2 1040 1 1 10 ARG HG3 H -5.183 -10.930 0.850 1.00 . A A . 10 ARG HG3 1 1 2 1041 1 1 10 ARG HH11 H -5.109 -15.217 -0.422 1.00 . A A . 10 ARG HH11 1 1 2 1042 1 1 10 ARG HH12 H -6.143 -15.916 -1.558 1.00 . A A . 10 ARG HH12 1 1 2 1043 1 1 10 ARG HH21 H -8.644 -13.413 -1.429 1.00 . A A . 10 ARG HH21 1 1 2 1044 1 1 10 ARG HH22 H -8.180 -14.858 -2.141 1.00 . A A . 10 ARG HH22 1 1 2 1045 1 1 10 ARG N N -2.460 -10.428 3.897 1.00 . A A . 10 ARG N 1 1 2 1046 1 1 10 ARG NE N -6.554 -13.141 0.071 1.00 . A A . 10 ARG NE 1 1 2 1047 1 1 10 ARG NH1 N -5.973 -15.154 -0.925 1.00 . A A . 10 ARG NH1 1 1 2 1048 1 1 10 ARG NH2 N -7.949 -14.135 -1.483 1.00 . A A . 10 ARG NH2 1 1 2 1049 1 1 10 ARG O O -5.299 -10.923 4.832 1.00 . A A . 10 ARG O 1 1 2 1050 1 1 11 PRO C C -7.777 -8.694 4.413 1.00 . A A . 11 PRO C 1 1 2 1051 1 1 11 PRO CA C -6.400 -8.419 5.027 1.00 . A A . 11 PRO CA 1 1 2 1052 1 1 11 PRO CB C -6.197 -6.922 5.237 1.00 . A A . 11 PRO CB 1 1 2 1053 1 1 11 PRO CD C -4.772 -7.683 3.406 1.00 . A A . 11 PRO CD 1 1 2 1054 1 1 11 PRO CG C -5.239 -6.470 4.169 1.00 . A A . 11 PRO CG 1 1 2 1055 1 1 11 PRO HA H -6.335 -8.923 5.980 1.00 . A A . 11 PRO HA 1 1 2 1056 1 1 11 PRO HB2 H -7.152 -6.427 5.147 1.00 . A A . 11 PRO HB2 1 1 2 1057 1 1 11 PRO HB3 H -5.795 -6.750 6.227 1.00 . A A . 11 PRO HB3 1 1 2 1058 1 1 11 PRO HD2 H -5.093 -7.707 2.372 1.00 . A A . 11 PRO HD2 1 1 2 1059 1 1 11 PRO HD3 H -3.691 -7.708 3.421 1.00 . A A . 11 PRO HD3 1 1 2 1060 1 1 11 PRO HG2 H -5.719 -5.781 3.490 1.00 . A A . 11 PRO HG2 1 1 2 1061 1 1 11 PRO HG3 H -4.396 -5.992 4.649 1.00 . A A . 11 PRO HG3 1 1 2 1062 1 1 11 PRO N N -5.306 -8.803 4.162 1.00 . A A . 11 PRO N 1 1 2 1063 1 1 11 PRO O O -8.588 -9.398 5.001 1.00 . A A . 11 PRO O 1 1 2 1064 1 1 12 CYS C C -10.460 -7.701 3.387 1.00 . A A . 12 CYS C 1 1 2 1065 1 1 12 CYS CA C -9.320 -8.240 2.524 1.00 . A A . 12 CYS CA 1 1 2 1066 1 1 12 CYS CB C -9.596 -9.705 2.149 1.00 . A A . 12 CYS CB 1 1 2 1067 1 1 12 CYS H H -7.318 -7.593 2.810 1.00 . A A . 12 CYS H 1 1 2 1068 1 1 12 CYS HA H -9.247 -7.645 1.627 1.00 . A A . 12 CYS HA 1 1 2 1069 1 1 12 CYS HB2 H -9.684 -10.287 3.056 1.00 . A A . 12 CYS HB2 1 1 2 1070 1 1 12 CYS HB3 H -10.529 -9.761 1.607 1.00 . A A . 12 CYS HB3 1 1 2 1071 1 1 12 CYS HG H -8.319 -11.723 1.587 1.00 . A A . 12 CYS HG 1 1 2 1072 1 1 12 CYS N N -8.030 -8.112 3.229 1.00 . A A . 12 CYS N 1 1 2 1073 1 1 12 CYS O O -11.603 -8.135 3.267 1.00 . A A . 12 CYS O 1 1 2 1074 1 1 12 CYS SG S -8.319 -10.470 1.146 1.00 . A A . 12 CYS SG 1 1 2 1075 1 1 13 LYS C C -12.059 -5.187 4.370 1.00 . A A . 13 LYS C 1 1 2 1076 1 1 13 LYS CA C -11.114 -6.134 5.106 1.00 . A A . 13 LYS CA 1 1 2 1077 1 1 13 LYS CB C -10.403 -5.427 6.270 1.00 . A A . 13 LYS CB 1 1 2 1078 1 1 13 LYS CD C -8.962 -5.578 8.255 1.00 . A A . 13 LYS CD 1 1 2 1079 1 1 13 LYS CE C -8.309 -6.520 9.190 1.00 . A A . 13 LYS CE 1 1 2 1080 1 1 13 LYS CG C -9.640 -6.346 7.149 1.00 . A A . 13 LYS CG 1 1 2 1081 1 1 13 LYS H H -9.240 -6.350 4.194 1.00 . A A . 13 LYS H 1 1 2 1082 1 1 13 LYS HA H -11.699 -6.946 5.507 1.00 . A A . 13 LYS HA 1 1 2 1083 1 1 13 LYS HB2 H -9.693 -4.692 5.926 1.00 . A A . 13 LYS HB2 1 1 2 1084 1 1 13 LYS HB3 H -11.087 -4.945 6.947 1.00 . A A . 13 LYS HB3 1 1 2 1085 1 1 13 LYS HD2 H -8.205 -4.935 7.830 1.00 . A A . 13 LYS HD2 1 1 2 1086 1 1 13 LYS HD3 H -9.694 -4.992 8.791 1.00 . A A . 13 LYS HD3 1 1 2 1087 1 1 13 LYS HE2 H -7.950 -7.204 8.442 1.00 . A A . 13 LYS HE2 1 1 2 1088 1 1 13 LYS HE3 H -7.512 -6.067 9.756 1.00 . A A . 13 LYS HE3 1 1 2 1089 1 1 13 LYS HG2 H -10.339 -7.049 7.580 1.00 . A A . 13 LYS HG2 1 1 2 1090 1 1 13 LYS HG3 H -8.896 -6.876 6.572 1.00 . A A . 13 LYS HG3 1 1 2 1091 1 1 13 LYS HZ1 H -9.821 -6.617 10.632 1.00 . A A . 13 LYS HZ1 1 1 2 1092 1 1 13 LYS HZ2 H -8.793 -7.924 10.667 1.00 . A A . 13 LYS HZ2 1 1 2 1093 1 1 13 LYS HZ3 H -9.965 -7.821 9.475 1.00 . A A . 13 LYS HZ3 1 1 2 1094 1 1 13 LYS N N -10.145 -6.717 4.206 1.00 . A A . 13 LYS N 1 1 2 1095 1 1 13 LYS NZ N -9.281 -7.268 10.026 1.00 . A A . 13 LYS NZ 1 1 2 1096 1 1 13 LYS O O -11.971 -5.017 3.146 1.00 . A A . 13 LYS O 1 1 2 1097 1 1 14 ASP C C -13.500 -2.441 3.906 1.00 . A A . 14 ASP C 1 1 2 1098 1 1 14 ASP CA C -13.999 -3.687 4.605 1.00 . A A . 14 ASP CA 1 1 2 1099 1 1 14 ASP CB C -14.889 -3.245 5.741 1.00 . A A . 14 ASP CB 1 1 2 1100 1 1 14 ASP CG C -15.579 -4.384 6.456 1.00 . A A . 14 ASP CG 1 1 2 1101 1 1 14 ASP H H -12.825 -4.535 6.111 1.00 . A A . 14 ASP H 1 1 2 1102 1 1 14 ASP HA H -14.593 -4.285 3.932 1.00 . A A . 14 ASP HA 1 1 2 1103 1 1 14 ASP HB2 H -14.240 -2.738 6.442 1.00 . A A . 14 ASP HB2 1 1 2 1104 1 1 14 ASP HB3 H -15.590 -2.544 5.328 1.00 . A A . 14 ASP HB3 1 1 2 1105 1 1 14 ASP N N -12.904 -4.526 5.131 1.00 . A A . 14 ASP N 1 1 2 1106 1 1 14 ASP O O -14.275 -1.732 3.273 1.00 . A A . 14 ASP O 1 1 2 1107 1 1 14 ASP OD1 O -16.674 -4.796 6.038 1.00 . A A . 14 ASP OD1 1 1 2 1108 1 1 14 ASP OD2 O -15.011 -4.879 7.456 1.00 . A A . 14 ASP OD2 1 1 2 1109 1 1 15 LYS C C -10.010 -1.309 3.974 1.00 . A A . 15 LYS C 1 1 2 1110 1 1 15 LYS CA C -11.426 -1.063 3.543 1.00 . A A . 15 LYS CA 1 1 2 1111 1 1 15 LYS CB C -11.889 0.298 4.071 1.00 . A A . 15 LYS CB 1 1 2 1112 1 1 15 LYS CD C -13.790 1.927 4.144 1.00 . A A . 15 LYS CD 1 1 2 1113 1 1 15 LYS CE C -14.503 1.228 5.294 1.00 . A A . 15 LYS CE 1 1 2 1114 1 1 15 LYS CG C -13.063 0.908 3.315 1.00 . A A . 15 LYS CG 1 1 2 1115 1 1 15 LYS H H -11.643 -2.796 4.553 1.00 . A A . 15 LYS H 1 1 2 1116 1 1 15 LYS HA H -11.465 -1.088 2.464 1.00 . A A . 15 LYS HA 1 1 2 1117 1 1 15 LYS HB2 H -12.129 0.184 5.116 1.00 . A A . 15 LYS HB2 1 1 2 1118 1 1 15 LYS HB3 H -11.047 0.972 3.998 1.00 . A A . 15 LYS HB3 1 1 2 1119 1 1 15 LYS HD2 H -13.080 2.636 4.541 1.00 . A A . 15 LYS HD2 1 1 2 1120 1 1 15 LYS HD3 H -14.519 2.446 3.543 1.00 . A A . 15 LYS HD3 1 1 2 1121 1 1 15 LYS HE2 H -13.768 0.622 5.804 1.00 . A A . 15 LYS HE2 1 1 2 1122 1 1 15 LYS HE3 H -14.940 1.954 5.961 1.00 . A A . 15 LYS HE3 1 1 2 1123 1 1 15 LYS HG2 H -12.688 1.384 2.421 1.00 . A A . 15 LYS HG2 1 1 2 1124 1 1 15 LYS HG3 H -13.745 0.114 3.049 1.00 . A A . 15 LYS HG3 1 1 2 1125 1 1 15 LYS HZ1 H -15.158 -0.462 4.205 1.00 . A A . 15 LYS HZ1 1 1 2 1126 1 1 15 LYS HZ2 H -16.278 0.810 4.288 1.00 . A A . 15 LYS HZ2 1 1 2 1127 1 1 15 LYS HZ3 H -16.018 -0.159 5.634 1.00 . A A . 15 LYS HZ3 1 1 2 1128 1 1 15 LYS N N -12.228 -2.184 4.069 1.00 . A A . 15 LYS N 1 1 2 1129 1 1 15 LYS NZ N -15.554 0.285 4.816 1.00 . A A . 15 LYS NZ 1 1 2 1130 1 1 15 LYS O O -9.768 -1.540 5.156 1.00 . A A . 15 LYS O 1 1 2 1131 1 1 16 VAL C C -6.886 -0.553 2.587 1.00 . A A . 16 VAL C 1 1 2 1132 1 1 16 VAL CA C -7.687 -1.567 3.332 1.00 . A A . 16 VAL CA 1 1 2 1133 1 1 16 VAL CB C -7.207 -3.022 2.987 1.00 . A A . 16 VAL CB 1 1 2 1134 1 1 16 VAL CG1 C -7.945 -4.036 3.832 1.00 . A A . 16 VAL CG1 1 1 2 1135 1 1 16 VAL CG2 C -7.389 -3.345 1.512 1.00 . A A . 16 VAL CG2 1 1 2 1136 1 1 16 VAL H H -9.337 -1.253 2.088 1.00 . A A . 16 VAL H 1 1 2 1137 1 1 16 VAL HA H -7.557 -1.391 4.393 1.00 . A A . 16 VAL HA 1 1 2 1138 1 1 16 VAL HB H -6.159 -3.083 3.235 1.00 . A A . 16 VAL HB 1 1 2 1139 1 1 16 VAL HG11 H -7.637 -5.031 3.551 1.00 . A A . 16 VAL HG11 1 1 2 1140 1 1 16 VAL HG12 H -9.007 -3.933 3.661 1.00 . A A . 16 VAL HG12 1 1 2 1141 1 1 16 VAL HG13 H -7.713 -3.859 4.873 1.00 . A A . 16 VAL HG13 1 1 2 1142 1 1 16 VAL HG21 H -6.793 -2.665 0.919 1.00 . A A . 16 VAL HG21 1 1 2 1143 1 1 16 VAL HG22 H -8.431 -3.228 1.256 1.00 . A A . 16 VAL HG22 1 1 2 1144 1 1 16 VAL HG23 H -7.096 -4.368 1.315 1.00 . A A . 16 VAL HG23 1 1 2 1145 1 1 16 VAL N N -9.095 -1.347 3.035 1.00 . A A . 16 VAL N 1 1 2 1146 1 1 16 VAL O O -7.303 -0.135 1.499 1.00 . A A . 16 VAL O 1 1 2 1147 1 1 17 ASP C C -3.886 0.465 1.691 1.00 . A A . 17 ASP C 1 1 2 1148 1 1 17 ASP CA C -5.000 0.937 2.599 1.00 . A A . 17 ASP CA 1 1 2 1149 1 1 17 ASP CB C -4.400 1.743 3.757 1.00 . A A . 17 ASP CB 1 1 2 1150 1 1 17 ASP CG C -5.420 2.118 4.818 1.00 . A A . 17 ASP CG 1 1 2 1151 1 1 17 ASP H H -5.263 -0.592 3.861 1.00 . A A . 17 ASP H 1 1 2 1152 1 1 17 ASP HA H -5.660 1.582 2.042 1.00 . A A . 17 ASP HA 1 1 2 1153 1 1 17 ASP HB2 H -3.629 1.158 4.237 1.00 . A A . 17 ASP HB2 1 1 2 1154 1 1 17 ASP HB3 H -3.957 2.649 3.370 1.00 . A A . 17 ASP HB3 1 1 2 1155 1 1 17 ASP N N -5.751 -0.182 3.117 1.00 . A A . 17 ASP N 1 1 2 1156 1 1 17 ASP O O -3.168 -0.504 2.003 1.00 . A A . 17 ASP O 1 1 2 1157 1 1 17 ASP OD1 O -6.197 3.062 4.610 1.00 . A A . 17 ASP OD1 1 1 2 1158 1 1 17 ASP OD2 O -5.441 1.440 5.877 1.00 . A A . 17 ASP OD2 1 1 2 1159 1 1 18 TRP C C -1.855 2.032 -0.651 1.00 . A A . 18 TRP C 1 1 2 1160 1 1 18 TRP CA C -2.733 0.818 -0.415 1.00 . A A . 18 TRP CA 1 1 2 1161 1 1 18 TRP CB C -3.379 0.470 -1.746 1.00 . A A . 18 TRP CB 1 1 2 1162 1 1 18 TRP CD1 C -5.571 -0.702 -1.174 1.00 . A A . 18 TRP CD1 1 1 2 1163 1 1 18 TRP CD2 C -4.230 -1.885 -2.480 1.00 . A A . 18 TRP CD2 1 1 2 1164 1 1 18 TRP CE2 C -5.359 -2.640 -2.228 1.00 . A A . 18 TRP CE2 1 1 2 1165 1 1 18 TRP CE3 C -3.257 -2.409 -3.292 1.00 . A A . 18 TRP CE3 1 1 2 1166 1 1 18 TRP CG C -4.356 -0.665 -1.761 1.00 . A A . 18 TRP CG 1 1 2 1167 1 1 18 TRP CH2 C -4.552 -4.388 -3.586 1.00 . A A . 18 TRP CH2 1 1 2 1168 1 1 18 TRP CZ2 C -5.547 -3.906 -2.772 1.00 . A A . 18 TRP CZ2 1 1 2 1169 1 1 18 TRP CZ3 C -3.419 -3.646 -3.845 1.00 . A A . 18 TRP CZ3 1 1 2 1170 1 1 18 TRP H H -4.380 1.883 0.479 1.00 . A A . 18 TRP H 1 1 2 1171 1 1 18 TRP HA H -2.145 -0.021 -0.074 1.00 . A A . 18 TRP HA 1 1 2 1172 1 1 18 TRP HB2 H -3.923 1.351 -2.039 1.00 . A A . 18 TRP HB2 1 1 2 1173 1 1 18 TRP HB3 H -2.610 0.276 -2.479 1.00 . A A . 18 TRP HB3 1 1 2 1174 1 1 18 TRP HD1 H -5.959 0.111 -0.581 1.00 . A A . 18 TRP HD1 1 1 2 1175 1 1 18 TRP HE1 H -7.031 -2.243 -1.104 1.00 . A A . 18 TRP HE1 1 1 2 1176 1 1 18 TRP HE3 H -2.396 -1.805 -3.478 1.00 . A A . 18 TRP HE3 1 1 2 1177 1 1 18 TRP HH2 H -4.624 -5.350 -4.068 1.00 . A A . 18 TRP HH2 1 1 2 1178 1 1 18 TRP HZ2 H -6.437 -4.481 -2.561 1.00 . A A . 18 TRP HZ2 1 1 2 1179 1 1 18 TRP HZ3 H -2.651 -4.043 -4.491 1.00 . A A . 18 TRP HZ3 1 1 2 1180 1 1 18 TRP N N -3.742 1.138 0.579 1.00 . A A . 18 TRP N 1 1 2 1181 1 1 18 TRP NE1 N -6.159 -1.912 -1.415 1.00 . A A . 18 TRP NE1 1 1 2 1182 1 1 18 TRP O O -2.290 3.171 -0.402 1.00 . A A . 18 TRP O 1 1 2 1183 1 1 19 VAL C C 0.947 2.481 -2.771 1.00 . A A . 19 VAL C 1 1 2 1184 1 1 19 VAL CA C 0.317 2.856 -1.463 1.00 . A A . 19 VAL CA 1 1 2 1185 1 1 19 VAL CB C 1.527 2.850 -0.506 1.00 . A A . 19 VAL CB 1 1 2 1186 1 1 19 VAL CG1 C 2.300 4.149 -0.524 1.00 . A A . 19 VAL CG1 1 1 2 1187 1 1 19 VAL CG2 C 1.248 2.349 0.868 1.00 . A A . 19 VAL CG2 1 1 2 1188 1 1 19 VAL H H -0.330 0.912 -1.436 1.00 . A A . 19 VAL H 1 1 2 1189 1 1 19 VAL HA H -0.146 3.831 -1.479 1.00 . A A . 19 VAL HA 1 1 2 1190 1 1 19 VAL HB H 2.183 2.148 -0.995 1.00 . A A . 19 VAL HB 1 1 2 1191 1 1 19 VAL HG11 H 3.115 4.087 0.181 1.00 . A A . 19 VAL HG11 1 1 2 1192 1 1 19 VAL HG12 H 1.632 4.950 -0.247 1.00 . A A . 19 VAL HG12 1 1 2 1193 1 1 19 VAL HG13 H 2.690 4.326 -1.517 1.00 . A A . 19 VAL HG13 1 1 2 1194 1 1 19 VAL HG21 H 0.498 2.953 1.355 1.00 . A A . 19 VAL HG21 1 1 2 1195 1 1 19 VAL HG22 H 2.176 2.392 1.415 1.00 . A A . 19 VAL HG22 1 1 2 1196 1 1 19 VAL HG23 H 0.954 1.314 0.785 1.00 . A A . 19 VAL HG23 1 1 2 1197 1 1 19 VAL N N -0.651 1.801 -1.164 1.00 . A A . 19 VAL N 1 1 2 1198 1 1 19 VAL O O 1.145 1.294 -3.016 1.00 . A A . 19 VAL O 1 1 2 1199 1 1 20 GLN C C 3.417 3.607 -4.623 1.00 . A A . 20 GLN C 1 1 2 1200 1 1 20 GLN CA C 1.995 3.098 -4.773 1.00 . A A . 20 GLN CA 1 1 2 1201 1 1 20 GLN CB C 1.366 3.649 -6.034 1.00 . A A . 20 GLN CB 1 1 2 1202 1 1 20 GLN CD C 1.065 3.180 -8.510 1.00 . A A . 20 GLN CD 1 1 2 1203 1 1 20 GLN CG C 1.555 2.688 -7.188 1.00 . A A . 20 GLN CG 1 1 2 1204 1 1 20 GLN H H 0.899 4.309 -3.357 1.00 . A A . 20 GLN H 1 1 2 1205 1 1 20 GLN HA H 2.036 2.019 -4.831 1.00 . A A . 20 GLN HA 1 1 2 1206 1 1 20 GLN HB2 H 0.319 3.835 -5.851 1.00 . A A . 20 GLN HB2 1 1 2 1207 1 1 20 GLN HB3 H 1.863 4.576 -6.280 1.00 . A A . 20 GLN HB3 1 1 2 1208 1 1 20 GLN HE21 H 2.308 1.949 -9.378 1.00 . A A . 20 GLN HE21 1 1 2 1209 1 1 20 GLN HE22 H 1.347 2.866 -10.439 1.00 . A A . 20 GLN HE22 1 1 2 1210 1 1 20 GLN HG2 H 2.607 2.468 -7.287 1.00 . A A . 20 GLN HG2 1 1 2 1211 1 1 20 GLN HG3 H 1.028 1.779 -6.935 1.00 . A A . 20 GLN HG3 1 1 2 1212 1 1 20 GLN N N 1.250 3.420 -3.595 1.00 . A A . 20 GLN N 1 1 2 1213 1 1 20 GLN NE2 N 1.619 2.630 -9.537 1.00 . A A . 20 GLN NE2 1 1 2 1214 1 1 20 GLN O O 3.632 4.683 -4.071 1.00 . A A . 20 GLN O 1 1 2 1215 1 1 20 GLN OE1 O 0.152 3.996 -8.605 1.00 . A A . 20 GLN OE1 1 1 2 1216 1 1 21 CYS C C 6.077 4.141 -6.192 1.00 . A A . 21 CYS C 1 1 2 1217 1 1 21 CYS CA C 5.785 3.197 -5.030 1.00 . A A . 21 CYS CA 1 1 2 1218 1 1 21 CYS CB C 6.657 1.945 -5.181 1.00 . A A . 21 CYS CB 1 1 2 1219 1 1 21 CYS H H 4.137 1.940 -5.434 1.00 . A A . 21 CYS H 1 1 2 1220 1 1 21 CYS HA H 6.010 3.684 -4.094 1.00 . A A . 21 CYS HA 1 1 2 1221 1 1 21 CYS HB2 H 6.363 1.156 -4.514 1.00 . A A . 21 CYS HB2 1 1 2 1222 1 1 21 CYS HB3 H 6.543 1.581 -6.193 1.00 . A A . 21 CYS HB3 1 1 2 1223 1 1 21 CYS N N 4.377 2.814 -5.063 1.00 . A A . 21 CYS N 1 1 2 1224 1 1 21 CYS O O 5.603 3.929 -7.300 1.00 . A A . 21 CYS O 1 1 2 1225 1 1 21 CYS SG S 8.440 2.122 -4.914 1.00 . A A . 21 CYS SG 1 1 2 1226 1 1 22 ASP C C 8.731 5.952 -7.266 1.00 . A A . 22 ASP C 1 1 2 1227 1 1 22 ASP CA C 7.246 6.118 -6.968 1.00 . A A . 22 ASP CA 1 1 2 1228 1 1 22 ASP CB C 7.013 7.584 -6.512 1.00 . A A . 22 ASP CB 1 1 2 1229 1 1 22 ASP CG C 5.572 7.925 -6.187 1.00 . A A . 22 ASP CG 1 1 2 1230 1 1 22 ASP H H 7.112 5.304 -4.990 1.00 . A A . 22 ASP H 1 1 2 1231 1 1 22 ASP HA H 6.672 5.932 -7.862 1.00 . A A . 22 ASP HA 1 1 2 1232 1 1 22 ASP HB2 H 7.594 7.770 -5.621 1.00 . A A . 22 ASP HB2 1 1 2 1233 1 1 22 ASP HB3 H 7.352 8.253 -7.289 1.00 . A A . 22 ASP HB3 1 1 2 1234 1 1 22 ASP N N 6.839 5.167 -5.926 1.00 . A A . 22 ASP N 1 1 2 1235 1 1 22 ASP O O 9.321 6.745 -8.007 1.00 . A A . 22 ASP O 1 1 2 1236 1 1 22 ASP OD1 O 4.792 8.270 -7.130 1.00 . A A . 22 ASP OD1 1 1 2 1237 1 1 22 ASP OD2 O 5.213 7.886 -4.993 1.00 . A A . 22 ASP OD2 1 1 2 1238 1 1 23 GLY C C 11.318 3.781 -7.822 1.00 . A A . 23 GLY C 1 1 2 1239 1 1 23 GLY CA C 10.797 4.790 -6.826 1.00 . A A . 23 GLY CA 1 1 2 1240 1 1 23 GLY H H 8.882 4.199 -6.224 1.00 . A A . 23 GLY H 1 1 2 1241 1 1 23 GLY HA2 H 11.220 5.746 -7.094 1.00 . A A . 23 GLY HA2 1 1 2 1242 1 1 23 GLY HA3 H 11.188 4.518 -5.857 1.00 . A A . 23 GLY HA3 1 1 2 1243 1 1 23 GLY N N 9.349 4.909 -6.716 1.00 . A A . 23 GLY N 1 1 2 1244 1 1 23 GLY O O 12.499 3.492 -7.812 1.00 . A A . 23 GLY O 1 1 2 1245 1 1 24 GLY C C 10.107 1.144 -9.963 1.00 . A A . 24 GLY C 1 1 2 1246 1 1 24 GLY CA C 11.009 2.296 -9.642 1.00 . A A . 24 GLY CA 1 1 2 1247 1 1 24 GLY H H 9.530 3.501 -8.623 1.00 . A A . 24 GLY H 1 1 2 1248 1 1 24 GLY HA2 H 11.220 2.820 -10.563 1.00 . A A . 24 GLY HA2 1 1 2 1249 1 1 24 GLY HA3 H 11.945 1.918 -9.263 1.00 . A A . 24 GLY HA3 1 1 2 1250 1 1 24 GLY N N 10.479 3.233 -8.663 1.00 . A A . 24 GLY N 1 1 2 1251 1 1 24 GLY O O 9.827 0.904 -11.140 1.00 . A A . 24 GLY O 1 1 2 1252 1 1 25 CYS C C 7.438 -0.197 -9.653 1.00 . A A . 25 CYS C 1 1 2 1253 1 1 25 CYS CA C 8.787 -0.714 -9.223 1.00 . A A . 25 CYS CA 1 1 2 1254 1 1 25 CYS CB C 8.707 -1.745 -8.047 1.00 . A A . 25 CYS CB 1 1 2 1255 1 1 25 CYS H H 9.890 0.646 -8.021 1.00 . A A . 25 CYS H 1 1 2 1256 1 1 25 CYS HA H 9.224 -1.191 -10.090 1.00 . A A . 25 CYS HA 1 1 2 1257 1 1 25 CYS HB2 H 8.151 -2.597 -8.402 1.00 . A A . 25 CYS HB2 1 1 2 1258 1 1 25 CYS HB3 H 9.714 -2.054 -7.817 1.00 . A A . 25 CYS HB3 1 1 2 1259 1 1 25 CYS N N 9.645 0.411 -8.941 1.00 . A A . 25 CYS N 1 1 2 1260 1 1 25 CYS O O 7.007 -0.465 -10.768 1.00 . A A . 25 CYS O 1 1 2 1261 1 1 25 CYS SG S 7.897 -1.200 -6.497 1.00 . A A . 25 CYS SG 1 1 2 1262 1 1 26 ASP C C 4.335 0.395 -9.044 1.00 . A A . 26 ASP C 1 1 2 1263 1 1 26 ASP CA C 5.537 1.266 -9.042 1.00 . A A . 26 ASP CA 1 1 2 1264 1 1 26 ASP CB C 5.692 2.044 -10.361 1.00 . A A . 26 ASP CB 1 1 2 1265 1 1 26 ASP CG C 6.666 3.218 -10.293 1.00 . A A . 26 ASP CG 1 1 2 1266 1 1 26 ASP H H 6.908 0.134 -7.811 1.00 . A A . 26 ASP H 1 1 2 1267 1 1 26 ASP HA H 5.325 1.964 -8.243 1.00 . A A . 26 ASP HA 1 1 2 1268 1 1 26 ASP HB2 H 6.035 1.362 -11.125 1.00 . A A . 26 ASP HB2 1 1 2 1269 1 1 26 ASP HB3 H 4.722 2.421 -10.652 1.00 . A A . 26 ASP HB3 1 1 2 1270 1 1 26 ASP N N 6.732 0.463 -8.709 1.00 . A A . 26 ASP N 1 1 2 1271 1 1 26 ASP O O 3.400 0.584 -9.807 1.00 . A A . 26 ASP O 1 1 2 1272 1 1 26 ASP OD1 O 7.681 3.158 -9.541 1.00 . A A . 26 ASP OD1 1 1 2 1273 1 1 26 ASP OD2 O 6.433 4.207 -11.038 1.00 . A A . 26 ASP OD2 1 1 2 1274 1 1 27 GLU C C 2.595 -0.953 -6.597 1.00 . A A . 27 GLU C 1 1 2 1275 1 1 27 GLU CA C 3.213 -1.393 -7.893 1.00 . A A . 27 GLU CA 1 1 2 1276 1 1 27 GLU CB C 3.632 -2.856 -7.818 1.00 . A A . 27 GLU CB 1 1 2 1277 1 1 27 GLU CD C 4.562 -4.857 -9.032 1.00 . A A . 27 GLU CD 1 1 2 1278 1 1 27 GLU CG C 4.152 -3.406 -9.128 1.00 . A A . 27 GLU CG 1 1 2 1279 1 1 27 GLU H H 5.051 -0.696 -7.477 1.00 . A A . 27 GLU H 1 1 2 1280 1 1 27 GLU HA H 2.505 -1.248 -8.697 1.00 . A A . 27 GLU HA 1 1 2 1281 1 1 27 GLU HB2 H 4.412 -2.938 -7.075 1.00 . A A . 27 GLU HB2 1 1 2 1282 1 1 27 GLU HB3 H 2.788 -3.454 -7.509 1.00 . A A . 27 GLU HB3 1 1 2 1283 1 1 27 GLU HG2 H 3.373 -3.309 -9.867 1.00 . A A . 27 GLU HG2 1 1 2 1284 1 1 27 GLU HG3 H 5.002 -2.808 -9.423 1.00 . A A . 27 GLU HG3 1 1 2 1285 1 1 27 GLU N N 4.335 -0.541 -8.125 1.00 . A A . 27 GLU N 1 1 2 1286 1 1 27 GLU O O 3.121 -0.031 -5.944 1.00 . A A . 27 GLU O 1 1 2 1287 1 1 27 GLU OE1 O 3.694 -5.747 -9.134 1.00 . A A . 27 GLU OE1 1 1 2 1288 1 1 27 GLU OE2 O 5.773 -5.121 -8.854 1.00 . A A . 27 GLU OE2 1 1 2 1289 1 1 28 TRP C C 1.124 -2.062 -3.840 1.00 . A A . 28 TRP C 1 1 2 1290 1 1 28 TRP CA C 0.828 -1.167 -5.033 1.00 . A A . 28 TRP CA 1 1 2 1291 1 1 28 TRP CB C -0.661 -1.144 -5.298 1.00 . A A . 28 TRP CB 1 1 2 1292 1 1 28 TRP CD1 C -1.193 -0.259 -7.675 1.00 . A A . 28 TRP CD1 1 1 2 1293 1 1 28 TRP CD2 C -1.626 1.157 -6.019 1.00 . A A . 28 TRP CD2 1 1 2 1294 1 1 28 TRP CE2 C -1.975 1.753 -7.237 1.00 . A A . 28 TRP CE2 1 1 2 1295 1 1 28 TRP CE3 C -1.811 1.874 -4.845 1.00 . A A . 28 TRP CE3 1 1 2 1296 1 1 28 TRP CG C -1.127 -0.135 -6.309 1.00 . A A . 28 TRP CG 1 1 2 1297 1 1 28 TRP CH2 C -2.676 3.690 -6.155 1.00 . A A . 28 TRP CH2 1 1 2 1298 1 1 28 TRP CZ2 C -2.501 3.014 -7.309 1.00 . A A . 28 TRP CZ2 1 1 2 1299 1 1 28 TRP CZ3 C -2.338 3.135 -4.930 1.00 . A A . 28 TRP CZ3 1 1 2 1300 1 1 28 TRP H H 1.204 -2.393 -6.650 1.00 . A A . 28 TRP H 1 1 2 1301 1 1 28 TRP HA H 1.137 -0.162 -4.789 1.00 . A A . 28 TRP HA 1 1 2 1302 1 1 28 TRP HB2 H -1.000 -2.121 -5.610 1.00 . A A . 28 TRP HB2 1 1 2 1303 1 1 28 TRP HB3 H -1.122 -0.883 -4.360 1.00 . A A . 28 TRP HB3 1 1 2 1304 1 1 28 TRP HD1 H -0.904 -1.105 -8.268 1.00 . A A . 28 TRP HD1 1 1 2 1305 1 1 28 TRP HE1 H -1.849 1.030 -9.185 1.00 . A A . 28 TRP HE1 1 1 2 1306 1 1 28 TRP HE3 H -1.547 1.441 -3.892 1.00 . A A . 28 TRP HE3 1 1 2 1307 1 1 28 TRP HH2 H -3.100 4.678 -6.169 1.00 . A A . 28 TRP HH2 1 1 2 1308 1 1 28 TRP HZ2 H -2.763 3.446 -8.260 1.00 . A A . 28 TRP HZ2 1 1 2 1309 1 1 28 TRP HZ3 H -2.499 3.710 -4.033 1.00 . A A . 28 TRP HZ3 1 1 2 1310 1 1 28 TRP N N 1.539 -1.586 -6.199 1.00 . A A . 28 TRP N 1 1 2 1311 1 1 28 TRP NE1 N -1.705 0.872 -8.222 1.00 . A A . 28 TRP NE1 1 1 2 1312 1 1 28 TRP O O 1.273 -3.289 -3.980 1.00 . A A . 28 TRP O 1 1 2 1313 1 1 29 PHE C C 0.395 -1.761 -0.428 1.00 . A A . 29 PHE C 1 1 2 1314 1 1 29 PHE CA C 1.465 -2.135 -1.418 1.00 . A A . 29 PHE CA 1 1 2 1315 1 1 29 PHE CB C 2.751 -1.691 -0.756 1.00 . A A . 29 PHE CB 1 1 2 1316 1 1 29 PHE CD1 C 4.537 -2.517 -2.267 1.00 . A A . 29 PHE CD1 1 1 2 1317 1 1 29 PHE CD2 C 4.344 -0.194 -1.806 1.00 . A A . 29 PHE CD2 1 1 2 1318 1 1 29 PHE CE1 C 5.614 -2.268 -3.075 1.00 . A A . 29 PHE CE1 1 1 2 1319 1 1 29 PHE CE2 C 5.404 0.056 -2.594 1.00 . A A . 29 PHE CE2 1 1 2 1320 1 1 29 PHE CG C 3.891 -1.472 -1.634 1.00 . A A . 29 PHE CG 1 1 2 1321 1 1 29 PHE CZ C 6.051 -0.980 -3.237 1.00 . A A . 29 PHE CZ 1 1 2 1322 1 1 29 PHE H H 1.170 -0.458 -2.719 1.00 . A A . 29 PHE H 1 1 2 1323 1 1 29 PHE HA H 1.489 -3.203 -1.567 1.00 . A A . 29 PHE HA 1 1 2 1324 1 1 29 PHE HB2 H 2.572 -0.764 -0.234 1.00 . A A . 29 PHE HB2 1 1 2 1325 1 1 29 PHE HB3 H 3.026 -2.431 -0.022 1.00 . A A . 29 PHE HB3 1 1 2 1326 1 1 29 PHE HD1 H 4.190 -3.532 -2.138 1.00 . A A . 29 PHE HD1 1 1 2 1327 1 1 29 PHE HD2 H 3.833 0.624 -1.311 1.00 . A A . 29 PHE HD2 1 1 2 1328 1 1 29 PHE HE1 H 6.117 -3.081 -3.575 1.00 . A A . 29 PHE HE1 1 1 2 1329 1 1 29 PHE HE2 H 5.722 1.079 -2.685 1.00 . A A . 29 PHE HE2 1 1 2 1330 1 1 29 PHE HZ H 6.905 -0.773 -3.863 1.00 . A A . 29 PHE HZ 1 1 2 1331 1 1 29 PHE N N 1.224 -1.441 -2.676 1.00 . A A . 29 PHE N 1 1 2 1332 1 1 29 PHE O O -0.420 -0.916 -0.688 1.00 . A A . 29 PHE O 1 1 2 1333 1 1 30 HIS C C 0.520 -1.162 2.678 1.00 . A A . 30 HIS C 1 1 2 1334 1 1 30 HIS CA C -0.408 -1.973 1.815 1.00 . A A . 30 HIS CA 1 1 2 1335 1 1 30 HIS CB C -0.944 -3.117 2.655 1.00 . A A . 30 HIS CB 1 1 2 1336 1 1 30 HIS CD2 C -3.228 -4.077 1.919 1.00 . A A . 30 HIS CD2 1 1 2 1337 1 1 30 HIS CE1 C -2.493 -5.939 1.000 1.00 . A A . 30 HIS CE1 1 1 2 1338 1 1 30 HIS CG C -1.876 -4.057 1.975 1.00 . A A . 30 HIS CG 1 1 2 1339 1 1 30 HIS H H 1.077 -3.134 0.733 1.00 . A A . 30 HIS H 1 1 2 1340 1 1 30 HIS HA H -1.207 -1.349 1.442 1.00 . A A . 30 HIS HA 1 1 2 1341 1 1 30 HIS HB2 H -0.091 -3.702 2.970 1.00 . A A . 30 HIS HB2 1 1 2 1342 1 1 30 HIS HB3 H -1.415 -2.721 3.546 1.00 . A A . 30 HIS HB3 1 1 2 1343 1 1 30 HIS HD2 H -3.899 -3.315 2.293 1.00 . A A . 30 HIS HD2 1 1 2 1344 1 1 30 HIS HE1 H -2.457 -6.955 0.625 1.00 . A A . 30 HIS HE1 1 1 2 1345 1 1 30 HIS HE2 H -4.409 -5.356 0.769 1.00 . A A . 30 HIS HE2 1 1 2 1346 1 1 30 HIS N N 0.409 -2.415 0.709 1.00 . A A . 30 HIS N 1 1 2 1347 1 1 30 HIS ND1 N -1.451 -5.222 1.378 1.00 . A A . 30 HIS ND1 1 1 2 1348 1 1 30 HIS NE2 N -3.592 -5.262 1.304 1.00 . A A . 30 HIS NE2 1 1 2 1349 1 1 30 HIS O O 1.673 -1.546 2.828 1.00 . A A . 30 HIS O 1 1 2 1350 1 1 31 GLN C C 1.549 0.034 5.121 1.00 . A A . 31 GLN C 1 1 2 1351 1 1 31 GLN CA C 0.821 0.819 4.067 1.00 . A A . 31 GLN CA 1 1 2 1352 1 1 31 GLN CB C -0.111 1.784 4.755 1.00 . A A . 31 GLN CB 1 1 2 1353 1 1 31 GLN CD C -0.433 3.949 3.501 1.00 . A A . 31 GLN CD 1 1 2 1354 1 1 31 GLN CG C -0.947 2.565 3.798 1.00 . A A . 31 GLN CG 1 1 2 1355 1 1 31 GLN H H -0.876 0.208 2.999 1.00 . A A . 31 GLN H 1 1 2 1356 1 1 31 GLN HA H 1.509 1.384 3.452 1.00 . A A . 31 GLN HA 1 1 2 1357 1 1 31 GLN HB2 H -0.746 1.259 5.454 1.00 . A A . 31 GLN HB2 1 1 2 1358 1 1 31 GLN HB3 H 0.532 2.476 5.284 1.00 . A A . 31 GLN HB3 1 1 2 1359 1 1 31 GLN HE21 H -1.284 3.890 1.725 1.00 . A A . 31 GLN HE21 1 1 2 1360 1 1 31 GLN HE22 H -0.453 5.344 2.120 1.00 . A A . 31 GLN HE22 1 1 2 1361 1 1 31 GLN HG2 H -0.692 1.987 2.914 1.00 . A A . 31 GLN HG2 1 1 2 1362 1 1 31 GLN HG3 H -1.999 2.551 4.027 1.00 . A A . 31 GLN HG3 1 1 2 1363 1 1 31 GLN N N 0.040 -0.065 3.208 1.00 . A A . 31 GLN N 1 1 2 1364 1 1 31 GLN NE2 N -0.750 4.442 2.337 1.00 . A A . 31 GLN NE2 1 1 2 1365 1 1 31 GLN O O 2.736 0.121 5.230 1.00 . A A . 31 GLN O 1 1 2 1366 1 1 31 GLN OE1 O 0.207 4.578 4.327 1.00 . A A . 31 GLN OE1 1 1 2 1367 1 1 32 VAL C C 2.289 -2.674 6.549 1.00 . A A . 32 VAL C 1 1 2 1368 1 1 32 VAL CA C 1.402 -1.501 6.962 1.00 . A A . 32 VAL CA 1 1 2 1369 1 1 32 VAL CB C 0.361 -1.988 7.957 1.00 . A A . 32 VAL CB 1 1 2 1370 1 1 32 VAL CG1 C -0.463 -0.832 8.482 1.00 . A A . 32 VAL CG1 1 1 2 1371 1 1 32 VAL CG2 C -0.529 -3.086 7.388 1.00 . A A . 32 VAL CG2 1 1 2 1372 1 1 32 VAL H H -0.117 -0.989 5.719 1.00 . A A . 32 VAL H 1 1 2 1373 1 1 32 VAL HA H 2.034 -0.796 7.486 1.00 . A A . 32 VAL HA 1 1 2 1374 1 1 32 VAL HB H 1.005 -2.407 8.710 1.00 . A A . 32 VAL HB 1 1 2 1375 1 1 32 VAL HG11 H 0.171 -0.097 8.959 1.00 . A A . 32 VAL HG11 1 1 2 1376 1 1 32 VAL HG12 H -1.205 -1.205 9.171 1.00 . A A . 32 VAL HG12 1 1 2 1377 1 1 32 VAL HG13 H -0.951 -0.388 7.624 1.00 . A A . 32 VAL HG13 1 1 2 1378 1 1 32 VAL HG21 H -1.274 -3.365 8.120 1.00 . A A . 32 VAL HG21 1 1 2 1379 1 1 32 VAL HG22 H 0.077 -3.941 7.138 1.00 . A A . 32 VAL HG22 1 1 2 1380 1 1 32 VAL HG23 H -1.008 -2.721 6.494 1.00 . A A . 32 VAL HG23 1 1 2 1381 1 1 32 VAL N N 0.823 -0.765 5.869 1.00 . A A . 32 VAL N 1 1 2 1382 1 1 32 VAL O O 3.231 -3.007 7.257 1.00 . A A . 32 VAL O 1 1 2 1383 1 1 33 CYS C C 4.080 -4.207 4.513 1.00 . A A . 33 CYS C 1 1 2 1384 1 1 33 CYS CA C 2.699 -4.534 5.043 1.00 . A A . 33 CYS CA 1 1 2 1385 1 1 33 CYS CB C 1.931 -5.370 4.028 1.00 . A A . 33 CYS CB 1 1 2 1386 1 1 33 CYS H H 1.306 -2.941 4.804 1.00 . A A . 33 CYS H 1 1 2 1387 1 1 33 CYS HA H 2.827 -5.106 5.950 1.00 . A A . 33 CYS HA 1 1 2 1388 1 1 33 CYS HB2 H 2.394 -6.330 3.919 1.00 . A A . 33 CYS HB2 1 1 2 1389 1 1 33 CYS HB3 H 0.902 -5.500 4.310 1.00 . A A . 33 CYS HB3 1 1 2 1390 1 1 33 CYS N N 1.985 -3.309 5.403 1.00 . A A . 33 CYS N 1 1 2 1391 1 1 33 CYS O O 4.956 -5.065 4.448 1.00 . A A . 33 CYS O 1 1 2 1392 1 1 33 CYS SG S 1.880 -4.654 2.441 1.00 . A A . 33 CYS SG 1 1 2 1393 1 1 34 VAL C C 6.126 -1.710 4.835 1.00 . A A . 34 VAL C 1 1 2 1394 1 1 34 VAL CA C 5.530 -2.595 3.690 1.00 . A A . 34 VAL CA 1 1 2 1395 1 1 34 VAL CB C 5.410 -1.832 2.326 1.00 . A A . 34 VAL CB 1 1 2 1396 1 1 34 VAL CG1 C 4.667 -0.501 2.417 1.00 . A A . 34 VAL CG1 1 1 2 1397 1 1 34 VAL CG2 C 6.737 -1.685 1.736 1.00 . A A . 34 VAL CG2 1 1 2 1398 1 1 34 VAL H H 3.576 -2.299 4.123 1.00 . A A . 34 VAL H 1 1 2 1399 1 1 34 VAL HA H 6.128 -3.484 3.558 1.00 . A A . 34 VAL HA 1 1 2 1400 1 1 34 VAL HB H 4.809 -2.403 1.630 1.00 . A A . 34 VAL HB 1 1 2 1401 1 1 34 VAL HG11 H 4.690 -0.011 1.452 1.00 . A A . 34 VAL HG11 1 1 2 1402 1 1 34 VAL HG12 H 5.187 0.108 3.135 1.00 . A A . 34 VAL HG12 1 1 2 1403 1 1 34 VAL HG13 H 3.632 -0.597 2.736 1.00 . A A . 34 VAL HG13 1 1 2 1404 1 1 34 VAL HG21 H 7.330 -1.239 2.516 1.00 . A A . 34 VAL HG21 1 1 2 1405 1 1 34 VAL HG22 H 6.686 -1.094 0.840 1.00 . A A . 34 VAL HG22 1 1 2 1406 1 1 34 VAL HG23 H 7.005 -2.708 1.517 1.00 . A A . 34 VAL HG23 1 1 2 1407 1 1 34 VAL N N 4.279 -2.967 4.099 1.00 . A A . 34 VAL N 1 1 2 1408 1 1 34 VAL O O 7.341 -1.660 5.057 1.00 . A A . 34 VAL O 1 1 2 1409 1 1 35 GLY C C 5.788 1.046 6.702 1.00 . A A . 35 GLY C 1 1 2 1410 1 1 35 GLY CA C 5.598 -0.455 6.852 1.00 . A A . 35 GLY CA 1 1 2 1411 1 1 35 GLY H H 4.766 -0.523 4.844 1.00 . A A . 35 GLY H 1 1 2 1412 1 1 35 GLY HA2 H 4.833 -0.667 7.586 1.00 . A A . 35 GLY HA2 1 1 2 1413 1 1 35 GLY HA3 H 6.528 -0.896 7.177 1.00 . A A . 35 GLY HA3 1 1 2 1414 1 1 35 GLY N N 5.195 -0.999 5.550 1.00 . A A . 35 GLY N 1 1 2 1415 1 1 35 GLY O O 6.827 1.623 7.026 1.00 . A A . 35 GLY O 1 1 2 1416 1 1 36 VAL C C 3.782 3.649 7.004 1.00 . A A . 36 VAL C 1 1 2 1417 1 1 36 VAL CA C 4.572 3.034 5.840 1.00 . A A . 36 VAL CA 1 1 2 1418 1 1 36 VAL CB C 3.710 3.204 4.503 1.00 . A A . 36 VAL CB 1 1 2 1419 1 1 36 VAL CG1 C 3.321 4.578 4.192 1.00 . A A . 36 VAL CG1 1 1 2 1420 1 1 36 VAL CG2 C 4.422 2.765 3.327 1.00 . A A . 36 VAL CG2 1 1 2 1421 1 1 36 VAL H H 4.026 0.951 6.061 1.00 . A A . 36 VAL H 1 1 2 1422 1 1 36 VAL HA H 5.535 3.505 5.719 1.00 . A A . 36 VAL HA 1 1 2 1423 1 1 36 VAL HB H 2.824 2.592 4.581 1.00 . A A . 36 VAL HB 1 1 2 1424 1 1 36 VAL HG11 H 4.197 5.191 4.047 1.00 . A A . 36 VAL HG11 1 1 2 1425 1 1 36 VAL HG12 H 2.625 4.970 4.917 1.00 . A A . 36 VAL HG12 1 1 2 1426 1 1 36 VAL HG13 H 2.834 4.454 3.230 1.00 . A A . 36 VAL HG13 1 1 2 1427 1 1 36 VAL HG21 H 4.293 1.721 3.106 1.00 . A A . 36 VAL HG21 1 1 2 1428 1 1 36 VAL HG22 H 5.446 3.101 3.351 1.00 . A A . 36 VAL HG22 1 1 2 1429 1 1 36 VAL HG23 H 3.945 3.405 2.589 1.00 . A A . 36 VAL HG23 1 1 2 1430 1 1 36 VAL N N 4.744 1.617 6.142 1.00 . A A . 36 VAL N 1 1 2 1431 1 1 36 VAL O O 3.233 2.926 7.834 1.00 . A A . 36 VAL O 1 1 2 1432 1 1 37 SER C C 2.085 6.580 7.135 1.00 . A A . 37 SER C 1 1 2 1433 1 1 37 SER CA C 2.904 5.628 7.997 1.00 . A A . 37 SER CA 1 1 2 1434 1 1 37 SER CB C 3.774 6.381 8.991 1.00 . A A . 37 SER CB 1 1 2 1435 1 1 37 SER H H 4.143 5.629 6.503 1.00 . A A . 37 SER H 1 1 2 1436 1 1 37 SER HA H 2.264 4.914 8.490 1.00 . A A . 37 SER HA 1 1 2 1437 1 1 37 SER HB2 H 4.332 7.143 8.471 1.00 . A A . 37 SER HB2 1 1 2 1438 1 1 37 SER HB3 H 3.149 6.850 9.736 1.00 . A A . 37 SER HB3 1 1 2 1439 1 1 37 SER HG H 4.430 4.593 9.358 1.00 . A A . 37 SER HG 1 1 2 1440 1 1 37 SER N N 3.725 4.950 7.072 1.00 . A A . 37 SER N 1 1 2 1441 1 1 37 SER O O 2.661 7.206 6.211 1.00 . A A . 37 SER O 1 1 2 1442 1 1 37 SER OG O 4.676 5.483 9.635 1.00 . A A . 37 SER OG 1 1 2 1443 1 1 38 PRO C C 0.333 8.801 6.033 1.00 . A A . 38 PRO C 1 1 2 1444 1 1 38 PRO CA C -0.190 7.449 6.524 1.00 . A A . 38 PRO CA 1 1 2 1445 1 1 38 PRO CB C -1.423 7.643 7.426 1.00 . A A . 38 PRO CB 1 1 2 1446 1 1 38 PRO CD C 0.051 6.071 8.491 1.00 . A A . 38 PRO CD 1 1 2 1447 1 1 38 PRO CG C -1.051 7.052 8.757 1.00 . A A . 38 PRO CG 1 1 2 1448 1 1 38 PRO HA H -0.474 6.864 5.660 1.00 . A A . 38 PRO HA 1 1 2 1449 1 1 38 PRO HB2 H -1.620 8.702 7.505 1.00 . A A . 38 PRO HB2 1 1 2 1450 1 1 38 PRO HB3 H -2.276 7.136 6.997 1.00 . A A . 38 PRO HB3 1 1 2 1451 1 1 38 PRO HD2 H 0.698 5.993 9.350 1.00 . A A . 38 PRO HD2 1 1 2 1452 1 1 38 PRO HD3 H -0.353 5.112 8.196 1.00 . A A . 38 PRO HD3 1 1 2 1453 1 1 38 PRO HG2 H -0.705 7.816 9.439 1.00 . A A . 38 PRO HG2 1 1 2 1454 1 1 38 PRO HG3 H -1.901 6.538 9.183 1.00 . A A . 38 PRO HG3 1 1 2 1455 1 1 38 PRO N N 0.759 6.686 7.376 1.00 . A A . 38 PRO N 1 1 2 1456 1 1 38 PRO O O 0.315 9.078 4.835 1.00 . A A . 38 PRO O 1 1 2 1457 1 1 39 GLU C C 2.473 10.897 5.620 1.00 . A A . 39 GLU C 1 1 2 1458 1 1 39 GLU CA C 1.320 10.937 6.628 1.00 . A A . 39 GLU CA 1 1 2 1459 1 1 39 GLU CB C 1.767 11.633 7.922 1.00 . A A . 39 GLU CB 1 1 2 1460 1 1 39 GLU CD C 2.751 13.655 9.041 1.00 . A A . 39 GLU CD 1 1 2 1461 1 1 39 GLU CG C 2.357 13.022 7.735 1.00 . A A . 39 GLU CG 1 1 2 1462 1 1 39 GLU H H 0.881 9.358 7.893 1.00 . A A . 39 GLU H 1 1 2 1463 1 1 39 GLU HA H 0.492 11.497 6.212 1.00 . A A . 39 GLU HA 1 1 2 1464 1 1 39 GLU HB2 H 0.917 11.716 8.581 1.00 . A A . 39 GLU HB2 1 1 2 1465 1 1 39 GLU HB3 H 2.514 11.016 8.403 1.00 . A A . 39 GLU HB3 1 1 2 1466 1 1 39 GLU HG2 H 3.232 12.950 7.105 1.00 . A A . 39 GLU HG2 1 1 2 1467 1 1 39 GLU HG3 H 1.619 13.650 7.254 1.00 . A A . 39 GLU HG3 1 1 2 1468 1 1 39 GLU N N 0.841 9.612 6.948 1.00 . A A . 39 GLU N 1 1 2 1469 1 1 39 GLU O O 2.517 11.700 4.698 1.00 . A A . 39 GLU O 1 1 2 1470 1 1 39 GLU OE1 O 3.788 13.295 9.601 1.00 . A A . 39 GLU OE1 1 1 2 1471 1 1 39 GLU OE2 O 2.010 14.533 9.529 1.00 . A A . 39 GLU OE2 1 1 2 1472 1 1 40 MET C C 4.208 9.549 3.478 1.00 . A A . 40 MET C 1 1 2 1473 1 1 40 MET CA C 4.551 9.854 4.925 1.00 . A A . 40 MET CA 1 1 2 1474 1 1 40 MET CB C 5.545 8.819 5.459 1.00 . A A . 40 MET CB 1 1 2 1475 1 1 40 MET CE C 8.240 10.502 5.967 1.00 . A A . 40 MET CE 1 1 2 1476 1 1 40 MET CG C 6.023 9.074 6.875 1.00 . A A . 40 MET CG 1 1 2 1477 1 1 40 MET H H 3.147 9.198 6.393 1.00 . A A . 40 MET H 1 1 2 1478 1 1 40 MET HA H 5.020 10.830 4.963 1.00 . A A . 40 MET HA 1 1 2 1479 1 1 40 MET HB2 H 5.067 7.848 5.443 1.00 . A A . 40 MET HB2 1 1 2 1480 1 1 40 MET HB3 H 6.407 8.800 4.811 1.00 . A A . 40 MET HB3 1 1 2 1481 1 1 40 MET HE1 H 8.810 9.624 6.226 1.00 . A A . 40 MET HE1 1 1 2 1482 1 1 40 MET HE2 H 8.872 11.377 6.019 1.00 . A A . 40 MET HE2 1 1 2 1483 1 1 40 MET HE3 H 7.876 10.388 4.958 1.00 . A A . 40 MET HE3 1 1 2 1484 1 1 40 MET HG2 H 5.162 9.034 7.524 1.00 . A A . 40 MET HG2 1 1 2 1485 1 1 40 MET HG3 H 6.712 8.287 7.149 1.00 . A A . 40 MET HG3 1 1 2 1486 1 1 40 MET N N 3.353 9.917 5.754 1.00 . A A . 40 MET N 1 1 2 1487 1 1 40 MET O O 4.619 10.268 2.584 1.00 . A A . 40 MET O 1 1 2 1488 1 1 40 MET SD S 6.835 10.675 7.076 1.00 . A A . 40 MET SD 1 1 2 1489 1 1 41 ALA C C 2.040 8.982 1.238 1.00 . A A . 41 ALA C 1 1 2 1490 1 1 41 ALA CA C 3.054 8.092 1.901 1.00 . A A . 41 ALA CA 1 1 2 1491 1 1 41 ALA CB C 2.499 6.732 1.927 1.00 . A A . 41 ALA CB 1 1 2 1492 1 1 41 ALA H H 3.021 8.033 4.034 1.00 . A A . 41 ALA H 1 1 2 1493 1 1 41 ALA HA H 3.962 8.064 1.316 1.00 . A A . 41 ALA HA 1 1 2 1494 1 1 41 ALA HB1 H 2.177 6.477 0.929 1.00 . A A . 41 ALA HB1 1 1 2 1495 1 1 41 ALA HB2 H 1.655 6.775 2.599 1.00 . A A . 41 ALA HB2 1 1 2 1496 1 1 41 ALA HB3 H 3.241 6.029 2.281 1.00 . A A . 41 ALA HB3 1 1 2 1497 1 1 41 ALA N N 3.398 8.517 3.263 1.00 . A A . 41 ALA N 1 1 2 1498 1 1 41 ALA O O 2.020 9.089 0.030 1.00 . A A . 41 ALA O 1 1 2 1499 1 1 42 GLU C C 0.610 11.794 1.111 1.00 . A A . 42 GLU C 1 1 2 1500 1 1 42 GLU CA C 0.154 10.390 1.355 1.00 . A A . 42 GLU CA 1 1 2 1501 1 1 42 GLU CB C -1.158 10.381 2.133 1.00 . A A . 42 GLU CB 1 1 2 1502 1 1 42 GLU CD C -3.140 9.082 2.912 1.00 . A A . 42 GLU CD 1 1 2 1503 1 1 42 GLU CG C -1.762 9.010 2.320 1.00 . A A . 42 GLU CG 1 1 2 1504 1 1 42 GLU H H 1.205 9.669 2.976 1.00 . A A . 42 GLU H 1 1 2 1505 1 1 42 GLU HA H -0.012 9.921 0.398 1.00 . A A . 42 GLU HA 1 1 2 1506 1 1 42 GLU HB2 H -0.970 10.779 3.120 1.00 . A A . 42 GLU HB2 1 1 2 1507 1 1 42 GLU HB3 H -1.872 11.004 1.613 1.00 . A A . 42 GLU HB3 1 1 2 1508 1 1 42 GLU HG2 H -1.818 8.525 1.355 1.00 . A A . 42 GLU HG2 1 1 2 1509 1 1 42 GLU HG3 H -1.129 8.423 2.973 1.00 . A A . 42 GLU HG3 1 1 2 1510 1 1 42 GLU N N 1.183 9.618 1.998 1.00 . A A . 42 GLU N 1 1 2 1511 1 1 42 GLU O O -0.007 12.529 0.345 1.00 . A A . 42 GLU O 1 1 2 1512 1 1 42 GLU OE1 O -3.276 9.278 4.150 1.00 . A A . 42 GLU OE1 1 1 2 1513 1 1 42 GLU OE2 O -4.120 8.969 2.138 1.00 . A A . 42 GLU OE2 1 1 2 1514 1 1 43 ASN C C 3.312 13.610 0.569 1.00 . A A . 43 ASN C 1 1 2 1515 1 1 43 ASN CA C 2.188 13.546 1.579 1.00 . A A . 43 ASN CA 1 1 2 1516 1 1 43 ASN CB C 2.601 14.189 2.900 1.00 . A A . 43 ASN CB 1 1 2 1517 1 1 43 ASN CG C 2.960 15.661 2.749 1.00 . A A . 43 ASN CG 1 1 2 1518 1 1 43 ASN H H 2.071 11.511 2.376 1.00 . A A . 43 ASN H 1 1 2 1519 1 1 43 ASN HA H 1.371 14.119 1.165 1.00 . A A . 43 ASN HA 1 1 2 1520 1 1 43 ASN HB2 H 1.812 14.081 3.628 1.00 . A A . 43 ASN HB2 1 1 2 1521 1 1 43 ASN HB3 H 3.485 13.656 3.219 1.00 . A A . 43 ASN HB3 1 1 2 1522 1 1 43 ASN HD21 H 4.902 15.269 2.711 1.00 . A A . 43 ASN HD21 1 1 2 1523 1 1 43 ASN HD22 H 4.476 16.922 2.553 1.00 . A A . 43 ASN HD22 1 1 2 1524 1 1 43 ASN N N 1.685 12.181 1.762 1.00 . A A . 43 ASN N 1 1 2 1525 1 1 43 ASN ND2 N 4.225 15.978 2.666 1.00 . A A . 43 ASN ND2 1 1 2 1526 1 1 43 ASN O O 3.333 14.515 -0.278 1.00 . A A . 43 ASN O 1 1 2 1527 1 1 43 ASN OD1 O 2.078 16.519 2.758 1.00 . A A . 43 ASN OD1 1 1 2 1528 1 1 44 GLU C C 5.585 11.289 -0.878 1.00 . A A . 44 GLU C 1 1 2 1529 1 1 44 GLU CA C 5.352 12.645 -0.259 1.00 . A A . 44 GLU CA 1 1 2 1530 1 1 44 GLU CB C 6.600 13.197 0.419 1.00 . A A . 44 GLU CB 1 1 2 1531 1 1 44 GLU CD C 7.673 15.248 1.411 1.00 . A A . 44 GLU CD 1 1 2 1532 1 1 44 GLU CG C 6.490 14.680 0.703 1.00 . A A . 44 GLU CG 1 1 2 1533 1 1 44 GLU H H 4.123 11.911 1.258 1.00 . A A . 44 GLU H 1 1 2 1534 1 1 44 GLU HA H 5.073 13.336 -1.044 1.00 . A A . 44 GLU HA 1 1 2 1535 1 1 44 GLU HB2 H 6.746 12.678 1.355 1.00 . A A . 44 GLU HB2 1 1 2 1536 1 1 44 GLU HB3 H 7.457 13.033 -0.216 1.00 . A A . 44 GLU HB3 1 1 2 1537 1 1 44 GLU HG2 H 6.356 15.189 -0.237 1.00 . A A . 44 GLU HG2 1 1 2 1538 1 1 44 GLU HG3 H 5.608 14.839 1.300 1.00 . A A . 44 GLU HG3 1 1 2 1539 1 1 44 GLU N N 4.220 12.657 0.628 1.00 . A A . 44 GLU N 1 1 2 1540 1 1 44 GLU O O 5.087 10.277 -0.374 1.00 . A A . 44 GLU O 1 1 2 1541 1 1 44 GLU OE1 O 8.698 15.498 0.754 1.00 . A A . 44 GLU OE1 1 1 2 1542 1 1 44 GLU OE2 O 7.576 15.489 2.629 1.00 . A A . 44 GLU OE2 1 1 2 1543 1 1 45 ASP C C 7.170 8.991 -1.939 1.00 . A A . 45 ASP C 1 1 2 1544 1 1 45 ASP CA C 6.684 10.127 -2.791 1.00 . A A . 45 ASP CA 1 1 2 1545 1 1 45 ASP CB C 7.811 10.491 -3.768 1.00 . A A . 45 ASP CB 1 1 2 1546 1 1 45 ASP CG C 7.477 11.628 -4.703 1.00 . A A . 45 ASP CG 1 1 2 1547 1 1 45 ASP H H 6.699 12.125 -2.369 1.00 . A A . 45 ASP H 1 1 2 1548 1 1 45 ASP HA H 5.822 9.829 -3.369 1.00 . A A . 45 ASP HA 1 1 2 1549 1 1 45 ASP HB2 H 8.688 10.763 -3.201 1.00 . A A . 45 ASP HB2 1 1 2 1550 1 1 45 ASP HB3 H 8.043 9.621 -4.361 1.00 . A A . 45 ASP HB3 1 1 2 1551 1 1 45 ASP N N 6.333 11.303 -1.982 1.00 . A A . 45 ASP N 1 1 2 1552 1 1 45 ASP O O 8.067 9.159 -1.091 1.00 . A A . 45 ASP O 1 1 2 1553 1 1 45 ASP OD1 O 7.354 12.790 -4.239 1.00 . A A . 45 ASP OD1 1 1 2 1554 1 1 45 ASP OD2 O 7.375 11.399 -5.921 1.00 . A A . 45 ASP OD2 1 1 2 1555 1 1 46 TYR C C 7.815 5.683 -2.211 1.00 . A A . 46 TYR C 1 1 2 1556 1 1 46 TYR CA C 7.039 6.706 -1.409 1.00 . A A . 46 TYR CA 1 1 2 1557 1 1 46 TYR CB C 5.930 6.101 -0.546 1.00 . A A . 46 TYR CB 1 1 2 1558 1 1 46 TYR CD1 C 7.459 5.052 1.196 1.00 . A A . 46 TYR CD1 1 1 2 1559 1 1 46 TYR CD2 C 5.932 3.689 0.015 1.00 . A A . 46 TYR CD2 1 1 2 1560 1 1 46 TYR CE1 C 7.936 3.948 1.876 1.00 . A A . 46 TYR CE1 1 1 2 1561 1 1 46 TYR CE2 C 6.397 2.566 0.670 1.00 . A A . 46 TYR CE2 1 1 2 1562 1 1 46 TYR CG C 6.433 4.921 0.253 1.00 . A A . 46 TYR CG 1 1 2 1563 1 1 46 TYR CZ C 7.403 2.699 1.608 1.00 . A A . 46 TYR CZ 1 1 2 1564 1 1 46 TYR H H 5.979 7.752 -2.904 1.00 . A A . 46 TYR H 1 1 2 1565 1 1 46 TYR HA H 7.791 7.066 -0.730 1.00 . A A . 46 TYR HA 1 1 2 1566 1 1 46 TYR HB2 H 5.575 6.852 0.144 1.00 . A A . 46 TYR HB2 1 1 2 1567 1 1 46 TYR HB3 H 5.113 5.761 -1.168 1.00 . A A . 46 TYR HB3 1 1 2 1568 1 1 46 TYR HD1 H 7.880 6.022 1.405 1.00 . A A . 46 TYR HD1 1 1 2 1569 1 1 46 TYR HD2 H 5.145 3.691 -0.711 1.00 . A A . 46 TYR HD2 1 1 2 1570 1 1 46 TYR HE1 H 8.719 4.062 2.609 1.00 . A A . 46 TYR HE1 1 1 2 1571 1 1 46 TYR HE2 H 5.963 1.601 0.441 1.00 . A A . 46 TYR HE2 1 1 2 1572 1 1 46 TYR HH H 7.999 1.798 3.193 1.00 . A A . 46 TYR HH 1 1 2 1573 1 1 46 TYR N N 6.635 7.828 -2.171 1.00 . A A . 46 TYR N 1 1 2 1574 1 1 46 TYR O O 7.338 5.097 -3.169 1.00 . A A . 46 TYR O 1 1 2 1575 1 1 46 TYR OH O 7.884 1.586 2.263 1.00 . A A . 46 TYR OH 1 1 2 1576 1 1 47 ILE C C 10.041 3.377 -1.495 1.00 . A A . 47 ILE C 1 1 2 1577 1 1 47 ILE CA C 9.948 4.585 -2.405 1.00 . A A . 47 ILE CA 1 1 2 1578 1 1 47 ILE CB C 11.389 5.216 -2.638 1.00 . A A . 47 ILE CB 1 1 2 1579 1 1 47 ILE CD1 C 10.584 7.587 -3.384 1.00 . A A . 47 ILE CD1 1 1 2 1580 1 1 47 ILE CG1 C 11.396 6.352 -3.708 1.00 . A A . 47 ILE CG1 1 1 2 1581 1 1 47 ILE CG2 C 12.401 4.155 -3.022 1.00 . A A . 47 ILE CG2 1 1 2 1582 1 1 47 ILE H H 9.153 6.078 -1.013 1.00 . A A . 47 ILE H 1 1 2 1583 1 1 47 ILE HA H 9.537 4.258 -3.352 1.00 . A A . 47 ILE HA 1 1 2 1584 1 1 47 ILE HB H 11.713 5.626 -1.694 1.00 . A A . 47 ILE HB 1 1 2 1585 1 1 47 ILE HD11 H 10.954 8.059 -2.485 1.00 . A A . 47 ILE HD11 1 1 2 1586 1 1 47 ILE HD12 H 9.556 7.279 -3.253 1.00 . A A . 47 ILE HD12 1 1 2 1587 1 1 47 ILE HD13 H 10.650 8.262 -4.226 1.00 . A A . 47 ILE HD13 1 1 2 1588 1 1 47 ILE HG12 H 12.412 6.685 -3.876 1.00 . A A . 47 ILE HG12 1 1 2 1589 1 1 47 ILE HG13 H 11.019 5.955 -4.639 1.00 . A A . 47 ILE HG13 1 1 2 1590 1 1 47 ILE HG21 H 12.474 3.416 -2.238 1.00 . A A . 47 ILE HG21 1 1 2 1591 1 1 47 ILE HG22 H 13.366 4.615 -3.167 1.00 . A A . 47 ILE HG22 1 1 2 1592 1 1 47 ILE HG23 H 12.093 3.677 -3.939 1.00 . A A . 47 ILE HG23 1 1 2 1593 1 1 47 ILE N N 9.031 5.511 -1.801 1.00 . A A . 47 ILE N 1 1 2 1594 1 1 47 ILE O O 10.365 3.516 -0.323 1.00 . A A . 47 ILE O 1 1 2 1595 1 1 48 CYS C C 11.196 0.556 -1.030 1.00 . A A . 48 CYS C 1 1 2 1596 1 1 48 CYS CA C 9.751 1.007 -1.209 1.00 . A A . 48 CYS CA 1 1 2 1597 1 1 48 CYS CB C 8.930 -0.118 -1.851 1.00 . A A . 48 CYS CB 1 1 2 1598 1 1 48 CYS H H 9.468 2.164 -2.961 1.00 . A A . 48 CYS H 1 1 2 1599 1 1 48 CYS HA H 9.337 1.243 -0.240 1.00 . A A . 48 CYS HA 1 1 2 1600 1 1 48 CYS HB2 H 8.743 -0.855 -1.081 1.00 . A A . 48 CYS HB2 1 1 2 1601 1 1 48 CYS HB3 H 7.982 0.275 -2.187 1.00 . A A . 48 CYS HB3 1 1 2 1602 1 1 48 CYS N N 9.725 2.205 -2.019 1.00 . A A . 48 CYS N 1 1 2 1603 1 1 48 CYS O O 12.089 1.042 -1.737 1.00 . A A . 48 CYS O 1 1 2 1604 1 1 48 CYS SG S 9.740 -0.996 -3.228 1.00 . A A . 48 CYS SG 1 1 2 1605 1 1 49 ILE C C 13.414 -1.558 -1.042 1.00 . A A . 49 ILE C 1 1 2 1606 1 1 49 ILE CA C 12.778 -0.858 0.136 1.00 . A A . 49 ILE CA 1 1 2 1607 1 1 49 ILE CB C 12.793 -1.700 1.404 1.00 . A A . 49 ILE CB 1 1 2 1608 1 1 49 ILE CD1 C 12.694 -4.163 0.714 1.00 . A A . 49 ILE CD1 1 1 2 1609 1 1 49 ILE CG1 C 11.982 -2.958 1.310 1.00 . A A . 49 ILE CG1 1 1 2 1610 1 1 49 ILE CG2 C 12.245 -0.868 2.517 1.00 . A A . 49 ILE CG2 1 1 2 1611 1 1 49 ILE H H 10.740 -0.901 0.333 1.00 . A A . 49 ILE H 1 1 2 1612 1 1 49 ILE HA H 13.325 0.036 0.360 1.00 . A A . 49 ILE HA 1 1 2 1613 1 1 49 ILE HB H 13.819 -1.940 1.627 1.00 . A A . 49 ILE HB 1 1 2 1614 1 1 49 ILE HD11 H 13.557 -4.396 1.323 1.00 . A A . 49 ILE HD11 1 1 2 1615 1 1 49 ILE HD12 H 13.015 -3.937 -0.291 1.00 . A A . 49 ILE HD12 1 1 2 1616 1 1 49 ILE HD13 H 12.019 -5.005 0.701 1.00 . A A . 49 ILE HD13 1 1 2 1617 1 1 49 ILE HG12 H 11.809 -3.079 2.353 1.00 . A A . 49 ILE HG12 1 1 2 1618 1 1 49 ILE HG13 H 11.042 -2.762 0.816 1.00 . A A . 49 ILE HG13 1 1 2 1619 1 1 49 ILE HG21 H 12.213 -1.427 3.442 1.00 . A A . 49 ILE HG21 1 1 2 1620 1 1 49 ILE HG22 H 11.251 -0.631 2.166 1.00 . A A . 49 ILE HG22 1 1 2 1621 1 1 49 ILE HG23 H 12.807 0.047 2.604 1.00 . A A . 49 ILE HG23 1 1 2 1622 1 1 49 ILE N N 11.434 -0.412 -0.155 1.00 . A A . 49 ILE N 1 1 2 1623 1 1 49 ILE O O 14.617 -1.540 -1.221 1.00 . A A . 49 ILE O 1 1 2 1624 1 1 50 ASN C C 13.496 -1.811 -4.136 1.00 . A A . 50 ASN C 1 1 2 1625 1 1 50 ASN CA C 12.955 -2.808 -3.105 1.00 . A A . 50 ASN CA 1 1 2 1626 1 1 50 ASN CB C 11.765 -3.577 -3.742 1.00 . A A . 50 ASN CB 1 1 2 1627 1 1 50 ASN CG C 11.199 -4.701 -2.890 1.00 . A A . 50 ASN CG 1 1 2 1628 1 1 50 ASN H H 11.622 -2.025 -1.587 1.00 . A A . 50 ASN H 1 1 2 1629 1 1 50 ASN HA H 13.736 -3.512 -2.866 1.00 . A A . 50 ASN HA 1 1 2 1630 1 1 50 ASN HB2 H 10.956 -2.882 -3.916 1.00 . A A . 50 ASN HB2 1 1 2 1631 1 1 50 ASN HB3 H 12.081 -3.977 -4.692 1.00 . A A . 50 ASN HB3 1 1 2 1632 1 1 50 ASN HD21 H 9.386 -4.427 -3.669 1.00 . A A . 50 ASN HD21 1 1 2 1633 1 1 50 ASN HD22 H 9.536 -5.690 -2.498 1.00 . A A . 50 ASN HD22 1 1 2 1634 1 1 50 ASN N N 12.556 -2.115 -1.872 1.00 . A A . 50 ASN N 1 1 2 1635 1 1 50 ASN ND2 N 9.907 -4.961 -3.035 1.00 . A A . 50 ASN ND2 1 1 2 1636 1 1 50 ASN O O 14.120 -2.195 -5.114 1.00 . A A . 50 ASN O 1 1 2 1637 1 1 50 ASN OD1 O 11.900 -5.328 -2.123 1.00 . A A . 50 ASN OD1 1 1 2 1638 1 1 51 CYS C C 14.614 1.491 -4.159 1.00 . A A . 51 CYS C 1 1 2 1639 1 1 51 CYS CA C 13.666 0.519 -4.833 1.00 . A A . 51 CYS CA 1 1 2 1640 1 1 51 CYS CB C 12.463 1.271 -5.408 1.00 . A A . 51 CYS CB 1 1 2 1641 1 1 51 CYS H H 12.756 -0.289 -3.093 1.00 . A A . 51 CYS H 1 1 2 1642 1 1 51 CYS HA H 14.192 0.039 -5.643 1.00 . A A . 51 CYS HA 1 1 2 1643 1 1 51 CYS HB2 H 11.880 1.677 -4.596 1.00 . A A . 51 CYS HB2 1 1 2 1644 1 1 51 CYS HB3 H 12.799 2.079 -6.043 1.00 . A A . 51 CYS HB3 1 1 2 1645 1 1 51 CYS N N 13.235 -0.531 -3.915 1.00 . A A . 51 CYS N 1 1 2 1646 1 1 51 CYS O O 14.990 2.512 -4.741 1.00 . A A . 51 CYS O 1 1 2 1647 1 1 51 CYS SG S 11.341 0.252 -6.377 1.00 . A A . 51 CYS SG 1 1 2 1648 1 1 52 ALA C C 17.277 2.152 -2.874 1.00 . A A . 52 ALA C 1 1 2 1649 1 1 52 ALA CA C 15.912 2.065 -2.188 1.00 . A A . 52 ALA CA 1 1 2 1650 1 1 52 ALA CB C 16.075 1.567 -0.756 1.00 . A A . 52 ALA CB 1 1 2 1651 1 1 52 ALA H H 14.645 0.406 -2.451 1.00 . A A . 52 ALA H 1 1 2 1652 1 1 52 ALA HA H 15.475 3.053 -2.161 1.00 . A A . 52 ALA HA 1 1 2 1653 1 1 52 ALA HB1 H 16.674 2.269 -0.199 1.00 . A A . 52 ALA HB1 1 1 2 1654 1 1 52 ALA HB2 H 16.565 0.605 -0.776 1.00 . A A . 52 ALA HB2 1 1 2 1655 1 1 52 ALA HB3 H 15.101 1.463 -0.298 1.00 . A A . 52 ALA HB3 1 1 2 1656 1 1 52 ALA N N 14.984 1.198 -2.926 1.00 . A A . 52 ALA N 1 1 2 1657 2 2 1 ALA C C 1.297 8.930 -3.817 1.00 . B B . 301 ALA C 1 1 2 1658 2 2 1 ALA CA C 2.780 8.975 -3.481 1.00 . B B . 301 ALA CA 1 1 2 1659 2 2 1 ALA CB C 3.137 7.811 -2.566 1.00 . B B . 301 ALA CB 1 1 2 1660 2 2 1 ALA HA H 3.340 8.875 -4.398 1.00 . B B . 301 ALA HA 1 1 2 1661 2 2 1 ALA HB1 H 2.923 6.884 -3.081 1.00 . B B . 301 ALA HB1 1 1 2 1662 2 2 1 ALA HB2 H 2.541 7.863 -1.668 1.00 . B B . 301 ALA HB2 1 1 2 1663 2 2 1 ALA HB3 H 4.185 7.847 -2.310 1.00 . B B . 301 ALA HB3 1 1 2 1664 2 2 1 ALA N N 3.141 10.280 -2.857 1.00 . B B . 301 ALA N 1 1 2 1665 2 2 1 ALA O O 0.567 9.934 -3.679 1.00 . B B . 301 ALA O 1 1 2 1666 2 2 2 ARG C C -1.137 6.570 -3.722 1.00 . B B . 302 ARG C 1 1 2 1667 2 2 2 ARG CA C -0.533 7.644 -4.610 1.00 . B B . 302 ARG CA 1 1 2 1668 2 2 2 ARG CB C -0.619 7.280 -6.089 1.00 . B B . 302 ARG CB 1 1 2 1669 2 2 2 ARG CD C -1.941 7.149 -8.192 1.00 . B B . 302 ARG CD 1 1 2 1670 2 2 2 ARG CG C -2.002 7.379 -6.694 1.00 . B B . 302 ARG CG 1 1 2 1671 2 2 2 ARG CZ C -3.414 8.046 -9.979 1.00 . B B . 302 ARG CZ 1 1 2 1672 2 2 2 ARG H H 1.455 7.036 -4.344 1.00 . B B . 302 ARG H 1 1 2 1673 2 2 2 ARG HA H -1.044 8.580 -4.440 1.00 . B B . 302 ARG HA 1 1 2 1674 2 2 2 ARG HB2 H 0.036 7.928 -6.652 1.00 . B B . 302 ARG HB2 1 1 2 1675 2 2 2 ARG HB3 H -0.270 6.265 -6.212 1.00 . B B . 302 ARG HB3 1 1 2 1676 2 2 2 ARG HD2 H -1.203 7.815 -8.612 1.00 . B B . 302 ARG HD2 1 1 2 1677 2 2 2 ARG HD3 H -1.630 6.131 -8.366 1.00 . B B . 302 ARG HD3 1 1 2 1678 2 2 2 ARG HE H -4.016 6.957 -8.391 1.00 . B B . 302 ARG HE 1 1 2 1679 2 2 2 ARG HG2 H -2.657 6.653 -6.237 1.00 . B B . 302 ARG HG2 1 1 2 1680 2 2 2 ARG HG3 H -2.381 8.372 -6.512 1.00 . B B . 302 ARG HG3 1 1 2 1681 2 2 2 ARG HH11 H -1.454 8.615 -10.197 1.00 . B B . 302 ARG HH11 1 1 2 1682 2 2 2 ARG HH12 H -2.471 9.189 -11.427 1.00 . B B . 302 ARG HH12 1 1 2 1683 2 2 2 ARG HH21 H -5.426 7.718 -10.059 1.00 . B B . 302 ARG HH21 1 1 2 1684 2 2 2 ARG HH22 H -4.813 8.648 -11.345 1.00 . B B . 302 ARG HH22 1 1 2 1685 2 2 2 ARG N N 0.840 7.794 -4.258 1.00 . B B . 302 ARG N 1 1 2 1686 2 2 2 ARG NE N -3.237 7.364 -8.837 1.00 . B B . 302 ARG NE 1 1 2 1687 2 2 2 ARG NH1 N -2.378 8.654 -10.579 1.00 . B B . 302 ARG NH1 1 1 2 1688 2 2 2 ARG NH2 N -4.626 8.144 -10.497 1.00 . B B . 302 ARG NH2 1 1 2 1689 2 2 2 ARG O O -0.595 5.476 -3.612 1.00 . B B . 302 ARG O 1 1 2 1690 2 2 3 THR C C -4.281 5.648 -2.575 1.00 . B B . 303 THR C 1 1 2 1691 2 2 3 THR CA C -2.843 5.968 -2.151 1.00 . B B . 303 THR CA 1 1 2 1692 2 2 3 THR CB C -2.818 6.516 -0.706 1.00 . B B . 303 THR CB 1 1 2 1693 2 2 3 THR CG2 C -1.410 6.454 -0.153 1.00 . B B . 303 THR CG2 1 1 2 1694 2 2 3 THR H H -2.618 7.783 -3.135 1.00 . B B . 303 THR H 1 1 2 1695 2 2 3 THR HA H -2.246 5.060 -2.169 1.00 . B B . 303 THR HA 1 1 2 1696 2 2 3 THR HB H -3.472 5.912 -0.091 1.00 . B B . 303 THR HB 1 1 2 1697 2 2 3 THR HG1 H -3.592 8.115 0.199 1.00 . B B . 303 THR HG1 1 1 2 1698 2 2 3 THR HG21 H -1.409 6.700 0.896 1.00 . B B . 303 THR HG21 1 1 2 1699 2 2 3 THR HG22 H -0.766 7.120 -0.708 1.00 . B B . 303 THR HG22 1 1 2 1700 2 2 3 THR HG23 H -1.060 5.441 -0.278 1.00 . B B . 303 THR HG23 1 1 2 1701 2 2 3 THR N N -2.211 6.892 -3.055 1.00 . B B . 303 THR N 1 1 2 1702 2 2 3 THR O O -4.871 6.361 -3.405 1.00 . B B . 303 THR O 1 1 2 1703 2 2 3 THR OG1 O -3.292 7.881 -0.691 1.00 . B B . 303 THR OG1 1 1 2 1704 2 2 4 . C C -6.639 3.158 -1.232 1.00 . B B . 304 M3L C 1 1 2 1705 2 2 4 . CA C -6.197 4.117 -2.313 1.00 . B B . 304 M3L CA 1 1 2 1706 2 2 4 . CB C -6.231 3.366 -3.660 1.00 . B B . 304 M3L CB 1 1 2 1707 2 2 4 . CD C -5.129 1.509 -4.973 1.00 . B B . 304 M3L CD 1 1 2 1708 2 2 4 . CE C -6.315 0.707 -5.445 1.00 . B B . 304 M3L CE 1 1 2 1709 2 2 4 . CG C -5.298 2.200 -3.649 1.00 . B B . 304 M3L CG 1 1 2 1710 2 2 4 . CM1 C -4.766 -0.810 -6.692 1.00 . B B . 304 M3L CM1 1 1 2 1711 2 2 4 . CM2 C -5.875 1.056 -7.847 1.00 . B B . 304 M3L CM2 1 1 2 1712 2 2 4 . CM3 C -7.096 -0.916 -7.115 1.00 . B B . 304 M3L CM3 1 1 2 1713 2 2 4 . H H -4.295 4.054 -1.369 1.00 . B B . 304 M3L H 1 1 2 1714 2 2 4 . HA H -6.858 4.969 -2.359 1.00 . B B . 304 M3L HA 1 1 2 1715 2 2 4 . HB2 H -5.959 4.022 -4.474 1.00 . B B . 304 M3L HB2 1 1 2 1716 2 2 4 . HB3 H -7.225 2.971 -3.808 1.00 . B B . 304 M3L HB3 1 1 2 1717 2 2 4 . HD2 H -4.257 0.878 -4.890 1.00 . B B . 304 M3L HD2 1 1 2 1718 2 2 4 . HD3 H -4.921 2.293 -5.675 1.00 . B B . 304 M3L HD3 1 1 2 1719 2 2 4 . HE2 H -7.151 1.379 -5.579 1.00 . B B . 304 M3L HE2 1 1 2 1720 2 2 4 . HE3 H -6.532 -0.016 -4.675 1.00 . B B . 304 M3L HE3 1 1 2 1721 2 2 4 . HG2 H -5.652 1.499 -2.910 1.00 . B B . 304 M3L HG2 1 1 2 1722 2 2 4 . HG3 H -4.329 2.587 -3.374 1.00 . B B . 304 M3L HG3 1 1 2 1723 2 2 4 . HM11 H -4.772 -1.577 -5.925 1.00 . B B . 304 M3L HM11 1 1 2 1724 2 2 4 . HM12 H -3.884 -0.190 -6.544 1.00 . B B . 304 M3L HM12 1 1 2 1725 2 2 4 . HM13 H -4.547 -1.320 -7.621 1.00 . B B . 304 M3L HM13 1 1 2 1726 2 2 4 . HM21 H -5.770 2.051 -7.430 1.00 . B B . 304 M3L HM21 1 1 2 1727 2 2 4 . HM22 H -6.720 1.092 -8.514 1.00 . B B . 304 M3L HM22 1 1 2 1728 2 2 4 . HM23 H -5.013 0.888 -8.472 1.00 . B B . 304 M3L HM23 1 1 2 1729 2 2 4 . HM31 H -7.239 -1.011 -8.184 1.00 . B B . 304 M3L HM31 1 1 2 1730 2 2 4 . HM32 H -8.046 -0.614 -6.705 1.00 . B B . 304 M3L HM32 1 1 2 1731 2 2 4 . HM33 H -6.919 -1.907 -6.731 1.00 . B B . 304 M3L HM33 1 1 2 1732 2 2 4 . N N -4.825 4.573 -2.016 1.00 . B B . 304 M3L N 1 1 2 1733 2 2 4 . NZ N -6.015 0.010 -6.774 1.00 . B B . 304 M3L NZ 1 1 2 1734 2 2 4 . O O -5.826 2.735 -0.404 1.00 . B B . 304 M3L O 1 1 2 1735 2 2 5 GLN C C -9.459 0.968 -1.057 1.00 . B B . 305 GLN C 1 1 2 1736 2 2 5 GLN CA C -8.481 1.843 -0.319 1.00 . B B . 305 GLN CA 1 1 2 1737 2 2 5 GLN CB C -9.199 2.551 0.844 1.00 . B B . 305 GLN CB 1 1 2 1738 2 2 5 GLN CD C -9.047 4.221 2.730 1.00 . B B . 305 GLN CD 1 1 2 1739 2 2 5 GLN CG C -8.306 3.451 1.657 1.00 . B B . 305 GLN CG 1 1 2 1740 2 2 5 GLN H H -8.496 3.175 -1.947 1.00 . B B . 305 GLN H 1 1 2 1741 2 2 5 GLN HA H -7.686 1.227 0.072 1.00 . B B . 305 GLN HA 1 1 2 1742 2 2 5 GLN HB2 H -9.997 3.158 0.443 1.00 . B B . 305 GLN HB2 1 1 2 1743 2 2 5 GLN HB3 H -9.625 1.805 1.501 1.00 . B B . 305 GLN HB3 1 1 2 1744 2 2 5 GLN HE21 H -8.484 2.918 4.094 1.00 . B B . 305 GLN HE21 1 1 2 1745 2 2 5 GLN HE22 H -9.462 4.222 4.662 1.00 . B B . 305 GLN HE22 1 1 2 1746 2 2 5 GLN HG2 H -7.579 2.819 2.141 1.00 . B B . 305 GLN HG2 1 1 2 1747 2 2 5 GLN HG3 H -7.807 4.108 0.977 1.00 . B B . 305 GLN HG3 1 1 2 1748 2 2 5 GLN N N -7.908 2.799 -1.260 1.00 . B B . 305 GLN N 1 1 2 1749 2 2 5 GLN NE2 N -9.005 3.740 3.944 1.00 . B B . 305 GLN NE2 1 1 2 1750 2 2 5 GLN O O -10.414 1.467 -1.644 1.00 . B B . 305 GLN O 1 1 2 1751 2 2 5 GLN OE1 O -9.584 5.294 2.471 1.00 . B B . 305 GLN OE1 1 1 2 1752 2 2 6 THR C C -11.110 -1.761 -0.698 1.00 . B B . 306 THR C 1 1 2 1753 2 2 6 THR CA C -10.133 -1.211 -1.728 1.00 . B B . 306 THR CA 1 1 2 1754 2 2 6 THR CB C -9.380 -2.386 -2.427 1.00 . B B . 306 THR CB 1 1 2 1755 2 2 6 THR CG2 C -8.424 -1.867 -3.525 1.00 . B B . 306 THR CG2 1 1 2 1756 2 2 6 THR H H -8.422 -0.643 -0.615 1.00 . B B . 306 THR H 1 1 2 1757 2 2 6 THR HA H -10.688 -0.651 -2.465 1.00 . B B . 306 THR HA 1 1 2 1758 2 2 6 THR HB H -10.105 -3.054 -2.866 1.00 . B B . 306 THR HB 1 1 2 1759 2 2 6 THR HG1 H -9.243 -3.224 -0.699 1.00 . B B . 306 THR HG1 1 1 2 1760 2 2 6 THR HG21 H -7.611 -1.290 -3.096 1.00 . B B . 306 THR HG21 1 1 2 1761 2 2 6 THR HG22 H -8.962 -1.272 -4.245 1.00 . B B . 306 THR HG22 1 1 2 1762 2 2 6 THR HG23 H -7.963 -2.712 -4.018 1.00 . B B . 306 THR HG23 1 1 2 1763 2 2 6 THR N N -9.222 -0.306 -1.070 1.00 . B B . 306 THR N 1 1 2 1764 2 2 6 THR O O -10.699 -2.488 0.227 1.00 . B B . 306 THR O 1 1 2 1765 2 2 6 THR OG1 O -8.626 -3.130 -1.440 1.00 . B B . 306 THR OG1 1 1 2 1766 2 2 7 ALA C C -13.900 -3.196 -0.321 1.00 . B B . 307 ALA C 1 1 2 1767 2 2 7 ALA CA C -13.361 -1.854 0.116 1.00 . B B . 307 ALA CA 1 1 2 1768 2 2 7 ALA CB C -14.479 -0.834 0.259 1.00 . B B . 307 ALA CB 1 1 2 1769 2 2 7 ALA H H -12.640 -0.793 -1.531 1.00 . B B . 307 ALA H 1 1 2 1770 2 2 7 ALA HA H -12.891 -1.978 1.079 1.00 . B B . 307 ALA HA 1 1 2 1771 2 2 7 ALA HB1 H -14.070 0.117 0.571 1.00 . B B . 307 ALA HB1 1 1 2 1772 2 2 7 ALA HB2 H -15.164 -1.184 1.017 1.00 . B B . 307 ALA HB2 1 1 2 1773 2 2 7 ALA HB3 H -14.996 -0.726 -0.682 1.00 . B B . 307 ALA HB3 1 1 2 1774 2 2 7 ALA N N -12.363 -1.389 -0.804 1.00 . B B . 307 ALA N 1 1 2 1775 2 2 7 ALA O O -14.665 -3.285 -1.280 1.00 . B B . 307 ALA O 1 1 2 1776 2 2 8 ARG C C -15.158 -5.878 0.840 1.00 . B B . 308 ARG C 1 1 2 1777 2 2 8 ARG CA C -13.916 -5.568 0.030 1.00 . B B . 308 ARG CA 1 1 2 1778 2 2 8 ARG CB C -12.825 -6.582 0.360 1.00 . B B . 308 ARG CB 1 1 2 1779 2 2 8 ARG CD C -11.613 -6.424 -1.854 1.00 . B B . 308 ARG CD 1 1 2 1780 2 2 8 ARG CG C -11.485 -6.352 -0.341 1.00 . B B . 308 ARG CG 1 1 2 1781 2 2 8 ARG CZ C -10.057 -6.607 -3.804 1.00 . B B . 308 ARG CZ 1 1 2 1782 2 2 8 ARG H H -12.862 -4.114 1.105 1.00 . B B . 308 ARG H 1 1 2 1783 2 2 8 ARG HA H -14.142 -5.617 -1.025 1.00 . B B . 308 ARG HA 1 1 2 1784 2 2 8 ARG HB2 H -12.671 -6.560 1.427 1.00 . B B . 308 ARG HB2 1 1 2 1785 2 2 8 ARG HB3 H -13.193 -7.560 0.089 1.00 . B B . 308 ARG HB3 1 1 2 1786 2 2 8 ARG HD2 H -12.028 -7.384 -2.124 1.00 . B B . 308 ARG HD2 1 1 2 1787 2 2 8 ARG HD3 H -12.269 -5.633 -2.189 1.00 . B B . 308 ARG HD3 1 1 2 1788 2 2 8 ARG HE H -9.592 -5.919 -1.959 1.00 . B B . 308 ARG HE 1 1 2 1789 2 2 8 ARG HG2 H -11.103 -5.378 -0.076 1.00 . B B . 308 ARG HG2 1 1 2 1790 2 2 8 ARG HG3 H -10.788 -7.111 -0.014 1.00 . B B . 308 ARG HG3 1 1 2 1791 2 2 8 ARG HH11 H -11.960 -7.243 -4.257 1.00 . B B . 308 ARG HH11 1 1 2 1792 2 2 8 ARG HH12 H -10.857 -7.352 -5.545 1.00 . B B . 308 ARG HH12 1 1 2 1793 2 2 8 ARG HH21 H -8.063 -6.112 -3.762 1.00 . B B . 308 ARG HH21 1 1 2 1794 2 2 8 ARG HH22 H -8.642 -6.702 -5.251 1.00 . B B . 308 ARG HH22 1 1 2 1795 2 2 8 ARG N N -13.475 -4.233 0.349 1.00 . B B . 308 ARG N 1 1 2 1796 2 2 8 ARG NE N -10.310 -6.280 -2.519 1.00 . B B . 308 ARG NE 1 1 2 1797 2 2 8 ARG NH1 N -11.023 -7.099 -4.582 1.00 . B B . 308 ARG NH1 1 1 2 1798 2 2 8 ARG NH2 N -8.833 -6.459 -4.295 1.00 . B B . 308 ARG NH2 1 1 2 1799 2 2 8 ARG O O -15.124 -5.858 2.067 1.00 . B B . 308 ARG O 1 1 2 1800 2 2 9 LYS C C -17.478 -7.911 1.353 1.00 . B B . 309 LYS C 1 1 2 1801 2 2 9 LYS CA C -17.498 -6.470 0.850 1.00 . B B . 309 LYS CA 1 1 2 1802 2 2 9 LYS CB C -18.698 -6.244 -0.068 1.00 . B B . 309 LYS CB 1 1 2 1803 2 2 9 LYS CD C -20.103 -4.624 -1.367 1.00 . B B . 309 LYS CD 1 1 2 1804 2 2 9 LYS CE C -20.282 -3.179 -1.765 1.00 . B B . 309 LYS CE 1 1 2 1805 2 2 9 LYS CG C -18.864 -4.803 -0.514 1.00 . B B . 309 LYS CG 1 1 2 1806 2 2 9 LYS H H -16.211 -6.129 -0.812 1.00 . B B . 309 LYS H 1 1 2 1807 2 2 9 LYS HA H -17.587 -5.814 1.707 1.00 . B B . 309 LYS HA 1 1 2 1808 2 2 9 LYS HB2 H -18.599 -6.864 -0.949 1.00 . B B . 309 LYS HB2 1 1 2 1809 2 2 9 LYS HB3 H -19.587 -6.534 0.473 1.00 . B B . 309 LYS HB3 1 1 2 1810 2 2 9 LYS HD2 H -20.008 -5.218 -2.263 1.00 . B B . 309 LYS HD2 1 1 2 1811 2 2 9 LYS HD3 H -20.971 -4.949 -0.816 1.00 . B B . 309 LYS HD3 1 1 2 1812 2 2 9 LYS HE2 H -20.272 -2.552 -0.886 1.00 . B B . 309 LYS HE2 1 1 2 1813 2 2 9 LYS HE3 H -19.450 -2.889 -2.392 1.00 . B B . 309 LYS HE3 1 1 2 1814 2 2 9 LYS HG2 H -18.958 -4.169 0.356 1.00 . B B . 309 LYS HG2 1 1 2 1815 2 2 9 LYS HG3 H -17.996 -4.507 -1.087 1.00 . B B . 309 LYS HG3 1 1 2 1816 2 2 9 LYS HZ1 H -21.655 -1.962 -2.698 1.00 . B B . 309 LYS HZ1 1 1 2 1817 2 2 9 LYS HZ2 H -22.356 -3.294 -1.960 1.00 . B B . 309 LYS HZ2 1 1 2 1818 2 2 9 LYS HZ3 H -21.546 -3.485 -3.412 1.00 . B B . 309 LYS HZ3 1 1 2 1819 2 2 9 LYS N N -16.251 -6.137 0.167 1.00 . B B . 309 LYS N 1 1 2 1820 2 2 9 LYS NZ N -21.534 -2.976 -2.507 1.00 . B B . 309 LYS NZ 1 1 2 1821 3 3 1 ZN ZN ZN 9.360 0.049 -5.243 1.00 . C A . 53 ZN ZN 1 1 2 1822 4 3 1 ZN ZN ZN 0.438 -5.813 1.083 1.00 . D A . 54 ZN ZN 1 1 3 1823 1 1 1 SER C C -4.963 -8.806 -0.856 1.00 . A A . 1 SER C 1 1 3 1824 1 1 1 SER CA C -6.500 -8.799 -1.051 1.00 . A A . 1 SER CA 1 1 3 1825 1 1 1 SER CB C -7.024 -10.167 -1.562 1.00 . A A . 1 SER CB 1 1 3 1826 1 1 1 SER HA H -6.942 -8.592 -0.088 1.00 . A A . 1 SER HA 1 1 3 1827 1 1 1 SER HB2 H -6.658 -10.961 -0.926 1.00 . A A . 1 SER HB2 1 1 3 1828 1 1 1 SER HB3 H -8.104 -10.157 -1.528 1.00 . A A . 1 SER HB3 1 1 3 1829 1 1 1 SER HG H -7.302 -10.970 -3.315 1.00 . A A . 1 SER HG 1 1 3 1830 1 1 1 SER N N -6.933 -7.704 -1.952 1.00 . A A . 1 SER N 1 1 3 1831 1 1 1 SER O O -4.455 -8.471 0.234 1.00 . A A . 1 SER O 1 1 3 1832 1 1 1 SER OG O -6.612 -10.432 -2.908 1.00 . A A . 1 SER OG 1 1 3 1833 1 1 2 VAL C C -2.197 -8.041 -2.684 1.00 . A A . 2 VAL C 1 1 3 1834 1 1 2 VAL CA C -2.781 -9.203 -1.879 1.00 . A A . 2 VAL CA 1 1 3 1835 1 1 2 VAL CB C -2.210 -10.532 -2.477 1.00 . A A . 2 VAL CB 1 1 3 1836 1 1 2 VAL CG1 C -0.698 -10.645 -2.234 1.00 . A A . 2 VAL CG1 1 1 3 1837 1 1 2 VAL CG2 C -2.944 -11.755 -1.949 1.00 . A A . 2 VAL CG2 1 1 3 1838 1 1 2 VAL H H -4.706 -9.342 -2.753 1.00 . A A . 2 VAL H 1 1 3 1839 1 1 2 VAL HA H -2.503 -9.123 -0.833 1.00 . A A . 2 VAL HA 1 1 3 1840 1 1 2 VAL HB H -2.343 -10.480 -3.549 1.00 . A A . 2 VAL HB 1 1 3 1841 1 1 2 VAL HG11 H -0.187 -9.829 -2.727 1.00 . A A . 2 VAL HG11 1 1 3 1842 1 1 2 VAL HG12 H -0.315 -11.576 -2.621 1.00 . A A . 2 VAL HG12 1 1 3 1843 1 1 2 VAL HG13 H -0.485 -10.585 -1.175 1.00 . A A . 2 VAL HG13 1 1 3 1844 1 1 2 VAL HG21 H -4.005 -11.647 -2.129 1.00 . A A . 2 VAL HG21 1 1 3 1845 1 1 2 VAL HG22 H -2.777 -11.830 -0.888 1.00 . A A . 2 VAL HG22 1 1 3 1846 1 1 2 VAL HG23 H -2.574 -12.648 -2.428 1.00 . A A . 2 VAL HG23 1 1 3 1847 1 1 2 VAL N N -4.236 -9.134 -1.912 1.00 . A A . 2 VAL N 1 1 3 1848 1 1 2 VAL O O -2.769 -7.628 -3.686 1.00 . A A . 2 VAL O 1 1 3 1849 1 1 3 CYS C C 1.004 -6.988 -3.090 1.00 . A A . 3 CYS C 1 1 3 1850 1 1 3 CYS CA C -0.412 -6.458 -2.901 1.00 . A A . 3 CYS CA 1 1 3 1851 1 1 3 CYS CB C -0.337 -5.229 -2.046 1.00 . A A . 3 CYS CB 1 1 3 1852 1 1 3 CYS H H -0.708 -7.865 -1.393 1.00 . A A . 3 CYS H 1 1 3 1853 1 1 3 CYS HA H -0.881 -6.252 -3.851 1.00 . A A . 3 CYS HA 1 1 3 1854 1 1 3 CYS HB2 H -0.218 -4.355 -2.670 1.00 . A A . 3 CYS HB2 1 1 3 1855 1 1 3 CYS HB3 H -1.231 -5.141 -1.450 1.00 . A A . 3 CYS HB3 1 1 3 1856 1 1 3 CYS N N -1.109 -7.506 -2.212 1.00 . A A . 3 CYS N 1 1 3 1857 1 1 3 CYS O O 1.323 -8.056 -2.530 1.00 . A A . 3 CYS O 1 1 3 1858 1 1 3 CYS SG S 1.044 -5.284 -0.926 1.00 . A A . 3 CYS SG 1 1 3 1859 1 1 4 ALA C C 4.232 -6.333 -3.033 1.00 . A A . 4 ALA C 1 1 3 1860 1 1 4 ALA CA C 3.172 -6.903 -3.961 1.00 . A A . 4 ALA CA 1 1 3 1861 1 1 4 ALA CB C 3.627 -6.773 -5.381 1.00 . A A . 4 ALA CB 1 1 3 1862 1 1 4 ALA H H 1.541 -5.409 -4.068 1.00 . A A . 4 ALA H 1 1 3 1863 1 1 4 ALA HA H 3.055 -7.954 -3.758 1.00 . A A . 4 ALA HA 1 1 3 1864 1 1 4 ALA HB1 H 4.558 -7.304 -5.496 1.00 . A A . 4 ALA HB1 1 1 3 1865 1 1 4 ALA HB2 H 3.753 -5.719 -5.579 1.00 . A A . 4 ALA HB2 1 1 3 1866 1 1 4 ALA HB3 H 2.872 -7.174 -6.038 1.00 . A A . 4 ALA HB3 1 1 3 1867 1 1 4 ALA N N 1.878 -6.290 -3.799 1.00 . A A . 4 ALA N 1 1 3 1868 1 1 4 ALA O O 5.152 -5.625 -3.448 1.00 . A A . 4 ALA O 1 1 3 1869 1 1 5 ALA C C 5.614 -7.849 -0.296 1.00 . A A . 5 ALA C 1 1 3 1870 1 1 5 ALA CA C 5.157 -6.487 -0.797 1.00 . A A . 5 ALA CA 1 1 3 1871 1 1 5 ALA CB C 4.737 -5.595 0.370 1.00 . A A . 5 ALA CB 1 1 3 1872 1 1 5 ALA H H 3.141 -6.478 -1.474 1.00 . A A . 5 ALA H 1 1 3 1873 1 1 5 ALA HA H 5.989 -6.013 -1.296 1.00 . A A . 5 ALA HA 1 1 3 1874 1 1 5 ALA HB1 H 3.934 -6.052 0.933 1.00 . A A . 5 ALA HB1 1 1 3 1875 1 1 5 ALA HB2 H 4.375 -4.661 -0.034 1.00 . A A . 5 ALA HB2 1 1 3 1876 1 1 5 ALA HB3 H 5.581 -5.399 1.018 1.00 . A A . 5 ALA HB3 1 1 3 1877 1 1 5 ALA N N 4.060 -6.603 -1.754 1.00 . A A . 5 ALA N 1 1 3 1878 1 1 5 ALA O O 4.800 -8.750 -0.093 1.00 . A A . 5 ALA O 1 1 3 1879 1 1 6 GLN C C 6.989 -9.816 1.609 1.00 . A A . 6 GLN C 1 1 3 1880 1 1 6 GLN CA C 7.605 -9.188 0.362 1.00 . A A . 6 GLN CA 1 1 3 1881 1 1 6 GLN CB C 9.078 -8.860 0.614 1.00 . A A . 6 GLN CB 1 1 3 1882 1 1 6 GLN CD C 11.342 -9.592 1.386 1.00 . A A . 6 GLN CD 1 1 3 1883 1 1 6 GLN CG C 9.923 -10.022 1.092 1.00 . A A . 6 GLN CG 1 1 3 1884 1 1 6 GLN H H 7.475 -7.206 -0.373 1.00 . A A . 6 GLN H 1 1 3 1885 1 1 6 GLN HA H 7.566 -9.940 -0.397 1.00 . A A . 6 GLN HA 1 1 3 1886 1 1 6 GLN HB2 H 9.514 -8.500 -0.310 1.00 . A A . 6 GLN HB2 1 1 3 1887 1 1 6 GLN HB3 H 9.143 -8.075 1.354 1.00 . A A . 6 GLN HB3 1 1 3 1888 1 1 6 GLN HE21 H 11.866 -9.924 -0.498 1.00 . A A . 6 GLN HE21 1 1 3 1889 1 1 6 GLN HE22 H 13.105 -9.342 0.547 1.00 . A A . 6 GLN HE22 1 1 3 1890 1 1 6 GLN HG2 H 9.498 -10.425 1.999 1.00 . A A . 6 GLN HG2 1 1 3 1891 1 1 6 GLN HG3 H 9.945 -10.772 0.320 1.00 . A A . 6 GLN HG3 1 1 3 1892 1 1 6 GLN N N 6.918 -7.968 -0.112 1.00 . A A . 6 GLN N 1 1 3 1893 1 1 6 GLN NE2 N 12.180 -9.628 0.384 1.00 . A A . 6 GLN NE2 1 1 3 1894 1 1 6 GLN O O 6.698 -10.994 1.634 1.00 . A A . 6 GLN O 1 1 3 1895 1 1 6 GLN OE1 O 11.664 -9.207 2.505 1.00 . A A . 6 GLN OE1 1 1 3 1896 1 1 7 ASN C C 4.824 -9.170 4.054 1.00 . A A . 7 ASN C 1 1 3 1897 1 1 7 ASN CA C 6.279 -9.527 3.884 1.00 . A A . 7 ASN CA 1 1 3 1898 1 1 7 ASN CB C 7.098 -8.890 4.994 1.00 . A A . 7 ASN CB 1 1 3 1899 1 1 7 ASN CG C 8.550 -9.329 5.027 1.00 . A A . 7 ASN CG 1 1 3 1900 1 1 7 ASN H H 6.961 -8.074 2.485 1.00 . A A . 7 ASN H 1 1 3 1901 1 1 7 ASN HA H 6.414 -10.598 3.931 1.00 . A A . 7 ASN HA 1 1 3 1902 1 1 7 ASN HB2 H 7.124 -7.879 4.619 1.00 . A A . 7 ASN HB2 1 1 3 1903 1 1 7 ASN HB3 H 6.632 -8.954 5.967 1.00 . A A . 7 ASN HB3 1 1 3 1904 1 1 7 ASN HD21 H 9.087 -7.743 3.966 1.00 . A A . 7 ASN HD21 1 1 3 1905 1 1 7 ASN HD22 H 10.364 -8.818 4.390 1.00 . A A . 7 ASN HD22 1 1 3 1906 1 1 7 ASN N N 6.777 -9.029 2.607 1.00 . A A . 7 ASN N 1 1 3 1907 1 1 7 ASN ND2 N 9.415 -8.558 4.402 1.00 . A A . 7 ASN ND2 1 1 3 1908 1 1 7 ASN O O 4.372 -8.867 5.156 1.00 . A A . 7 ASN O 1 1 3 1909 1 1 7 ASN OD1 O 8.897 -10.340 5.647 1.00 . A A . 7 ASN OD1 1 1 3 1910 1 1 8 CYS C C 1.749 -9.834 3.739 1.00 . A A . 8 CYS C 1 1 3 1911 1 1 8 CYS CA C 2.702 -8.845 3.004 1.00 . A A . 8 CYS CA 1 1 3 1912 1 1 8 CYS CB C 2.178 -8.524 1.594 1.00 . A A . 8 CYS CB 1 1 3 1913 1 1 8 CYS H H 4.485 -9.546 2.134 1.00 . A A . 8 CYS H 1 1 3 1914 1 1 8 CYS HA H 2.682 -7.927 3.565 1.00 . A A . 8 CYS HA 1 1 3 1915 1 1 8 CYS HB2 H 2.771 -7.776 1.092 1.00 . A A . 8 CYS HB2 1 1 3 1916 1 1 8 CYS HB3 H 2.211 -9.429 1.006 1.00 . A A . 8 CYS HB3 1 1 3 1917 1 1 8 CYS N N 4.083 -9.236 2.976 1.00 . A A . 8 CYS N 1 1 3 1918 1 1 8 CYS O O 1.997 -11.055 3.850 1.00 . A A . 8 CYS O 1 1 3 1919 1 1 8 CYS SG S 0.470 -7.976 1.580 1.00 . A A . 8 CYS SG 1 1 3 1920 1 1 9 GLN C C -1.685 -9.566 4.050 1.00 . A A . 9 GLN C 1 1 3 1921 1 1 9 GLN CA C -0.436 -9.920 4.848 1.00 . A A . 9 GLN CA 1 1 3 1922 1 1 9 GLN CB C -0.649 -9.526 6.325 1.00 . A A . 9 GLN CB 1 1 3 1923 1 1 9 GLN CD C 0.177 -9.536 8.708 1.00 . A A . 9 GLN CD 1 1 3 1924 1 1 9 GLN CG C 0.523 -9.807 7.250 1.00 . A A . 9 GLN CG 1 1 3 1925 1 1 9 GLN H H 0.825 -8.289 4.073 1.00 . A A . 9 GLN H 1 1 3 1926 1 1 9 GLN HA H -0.263 -10.985 4.771 1.00 . A A . 9 GLN HA 1 1 3 1927 1 1 9 GLN HB2 H -0.857 -8.467 6.361 1.00 . A A . 9 GLN HB2 1 1 3 1928 1 1 9 GLN HB3 H -1.513 -10.053 6.701 1.00 . A A . 9 GLN HB3 1 1 3 1929 1 1 9 GLN HE21 H 1.463 -10.922 9.315 1.00 . A A . 9 GLN HE21 1 1 3 1930 1 1 9 GLN HE22 H 0.599 -10.093 10.546 1.00 . A A . 9 GLN HE22 1 1 3 1931 1 1 9 GLN HG2 H 0.798 -10.850 7.162 1.00 . A A . 9 GLN HG2 1 1 3 1932 1 1 9 GLN HG3 H 1.347 -9.169 6.961 1.00 . A A . 9 GLN HG3 1 1 3 1933 1 1 9 GLN N N 0.684 -9.240 4.244 1.00 . A A . 9 GLN N 1 1 3 1934 1 1 9 GLN NE2 N 0.807 -10.253 9.604 1.00 . A A . 9 GLN NE2 1 1 3 1935 1 1 9 GLN O O -1.796 -8.454 3.514 1.00 . A A . 9 GLN O 1 1 3 1936 1 1 9 GLN OE1 O -0.660 -8.685 9.021 1.00 . A A . 9 GLN OE1 1 1 3 1937 1 1 10 ARG C C -4.902 -9.862 4.258 1.00 . A A . 10 ARG C 1 1 3 1938 1 1 10 ARG CA C -3.836 -10.310 3.250 1.00 . A A . 10 ARG CA 1 1 3 1939 1 1 10 ARG CB C -4.274 -11.660 2.630 1.00 . A A . 10 ARG CB 1 1 3 1940 1 1 10 ARG CD C -3.786 -13.671 1.173 1.00 . A A . 10 ARG CD 1 1 3 1941 1 1 10 ARG CG C -3.243 -12.343 1.732 1.00 . A A . 10 ARG CG 1 1 3 1942 1 1 10 ARG CZ C -2.967 -15.665 -0.130 1.00 . A A . 10 ARG CZ 1 1 3 1943 1 1 10 ARG H H -2.553 -11.338 4.422 1.00 . A A . 10 ARG H 1 1 3 1944 1 1 10 ARG HA H -3.702 -9.580 2.469 1.00 . A A . 10 ARG HA 1 1 3 1945 1 1 10 ARG HB2 H -4.490 -12.343 3.437 1.00 . A A . 10 ARG HB2 1 1 3 1946 1 1 10 ARG HB3 H -5.175 -11.505 2.055 1.00 . A A . 10 ARG HB3 1 1 3 1947 1 1 10 ARG HD2 H -4.026 -14.307 2.011 1.00 . A A . 10 ARG HD2 1 1 3 1948 1 1 10 ARG HD3 H -4.680 -13.452 0.611 1.00 . A A . 10 ARG HD3 1 1 3 1949 1 1 10 ARG HE H -2.029 -13.867 0.017 1.00 . A A . 10 ARG HE 1 1 3 1950 1 1 10 ARG HG2 H -3.003 -11.659 0.935 1.00 . A A . 10 ARG HG2 1 1 3 1951 1 1 10 ARG HG3 H -2.352 -12.542 2.312 1.00 . A A . 10 ARG HG3 1 1 3 1952 1 1 10 ARG HH11 H -4.720 -16.048 0.878 1.00 . A A . 10 ARG HH11 1 1 3 1953 1 1 10 ARG HH12 H -4.129 -17.336 -0.035 1.00 . A A . 10 ARG HH12 1 1 3 1954 1 1 10 ARG HH21 H -1.250 -15.744 -1.268 1.00 . A A . 10 ARG HH21 1 1 3 1955 1 1 10 ARG HH22 H -2.204 -17.155 -1.267 1.00 . A A . 10 ARG HH22 1 1 3 1956 1 1 10 ARG N N -2.603 -10.483 3.969 1.00 . A A . 10 ARG N 1 1 3 1957 1 1 10 ARG NE N -2.819 -14.383 0.295 1.00 . A A . 10 ARG NE 1 1 3 1958 1 1 10 ARG NH1 N -4.008 -16.385 0.260 1.00 . A A . 10 ARG NH1 1 1 3 1959 1 1 10 ARG NH2 N -2.075 -16.214 -0.941 1.00 . A A . 10 ARG NH2 1 1 3 1960 1 1 10 ARG O O -5.349 -10.663 5.065 1.00 . A A . 10 ARG O 1 1 3 1961 1 1 11 PRO C C -7.692 -8.463 4.796 1.00 . A A . 11 PRO C 1 1 3 1962 1 1 11 PRO CA C -6.271 -8.061 5.209 1.00 . A A . 11 PRO CA 1 1 3 1963 1 1 11 PRO CB C -6.084 -6.545 5.149 1.00 . A A . 11 PRO CB 1 1 3 1964 1 1 11 PRO CD C -4.712 -7.523 3.417 1.00 . A A . 11 PRO CD 1 1 3 1965 1 1 11 PRO CG C -5.484 -6.284 3.805 1.00 . A A . 11 PRO CG 1 1 3 1966 1 1 11 PRO HA H -6.089 -8.423 6.212 1.00 . A A . 11 PRO HA 1 1 3 1967 1 1 11 PRO HB2 H -7.040 -6.056 5.263 1.00 . A A . 11 PRO HB2 1 1 3 1968 1 1 11 PRO HB3 H -5.416 -6.243 5.939 1.00 . A A . 11 PRO HB3 1 1 3 1969 1 1 11 PRO HD2 H -4.815 -7.768 2.368 1.00 . A A . 11 PRO HD2 1 1 3 1970 1 1 11 PRO HD3 H -3.665 -7.384 3.639 1.00 . A A . 11 PRO HD3 1 1 3 1971 1 1 11 PRO HG2 H -6.262 -6.082 3.085 1.00 . A A . 11 PRO HG2 1 1 3 1972 1 1 11 PRO HG3 H -4.825 -5.431 3.849 1.00 . A A . 11 PRO HG3 1 1 3 1973 1 1 11 PRO N N -5.265 -8.571 4.277 1.00 . A A . 11 PRO N 1 1 3 1974 1 1 11 PRO O O -8.413 -9.074 5.573 1.00 . A A . 11 PRO O 1 1 3 1975 1 1 12 CYS C C -10.580 -7.903 3.760 1.00 . A A . 12 CYS C 1 1 3 1976 1 1 12 CYS CA C -9.369 -8.446 2.966 1.00 . A A . 12 CYS CA 1 1 3 1977 1 1 12 CYS CB C -9.457 -9.968 2.766 1.00 . A A . 12 CYS CB 1 1 3 1978 1 1 12 CYS H H -7.461 -7.538 3.050 1.00 . A A . 12 CYS H 1 1 3 1979 1 1 12 CYS HA H -9.361 -7.968 1.995 1.00 . A A . 12 CYS HA 1 1 3 1980 1 1 12 CYS HB2 H -9.432 -10.455 3.729 1.00 . A A . 12 CYS HB2 1 1 3 1981 1 1 12 CYS HB3 H -10.391 -10.203 2.275 1.00 . A A . 12 CYS HB3 1 1 3 1982 1 1 12 CYS HG H -8.316 -11.965 1.726 1.00 . A A . 12 CYS HG 1 1 3 1983 1 1 12 CYS N N -8.077 -8.084 3.574 1.00 . A A . 12 CYS N 1 1 3 1984 1 1 12 CYS O O -11.716 -8.371 3.584 1.00 . A A . 12 CYS O 1 1 3 1985 1 1 12 CYS SG S -8.115 -10.655 1.752 1.00 . A A . 12 CYS SG 1 1 3 1986 1 1 13 LYS C C -12.184 -5.377 4.306 1.00 . A A . 13 LYS C 1 1 3 1987 1 1 13 LYS CA C -11.396 -6.212 5.324 1.00 . A A . 13 LYS CA 1 1 3 1988 1 1 13 LYS CB C -10.810 -5.305 6.430 1.00 . A A . 13 LYS CB 1 1 3 1989 1 1 13 LYS CD C -9.427 -5.070 8.488 1.00 . A A . 13 LYS CD 1 1 3 1990 1 1 13 LYS CE C -8.764 -5.818 9.598 1.00 . A A . 13 LYS CE 1 1 3 1991 1 1 13 LYS CG C -10.004 -6.037 7.471 1.00 . A A . 13 LYS CG 1 1 3 1992 1 1 13 LYS H H -9.395 -6.674 4.754 1.00 . A A . 13 LYS H 1 1 3 1993 1 1 13 LYS HA H -12.054 -6.951 5.757 1.00 . A A . 13 LYS HA 1 1 3 1994 1 1 13 LYS HB2 H -10.174 -4.544 6.008 1.00 . A A . 13 LYS HB2 1 1 3 1995 1 1 13 LYS HB3 H -11.614 -4.819 6.967 1.00 . A A . 13 LYS HB3 1 1 3 1996 1 1 13 LYS HD2 H -8.701 -4.425 8.014 1.00 . A A . 13 LYS HD2 1 1 3 1997 1 1 13 LYS HD3 H -10.218 -4.465 8.902 1.00 . A A . 13 LYS HD3 1 1 3 1998 1 1 13 LYS HE2 H -9.569 -6.391 10.028 1.00 . A A . 13 LYS HE2 1 1 3 1999 1 1 13 LYS HE3 H -8.003 -6.476 9.205 1.00 . A A . 13 LYS HE3 1 1 3 2000 1 1 13 LYS HG2 H -10.657 -6.728 7.982 1.00 . A A . 13 LYS HG2 1 1 3 2001 1 1 13 LYS HG3 H -9.196 -6.575 6.995 1.00 . A A . 13 LYS HG3 1 1 3 2002 1 1 13 LYS HZ1 H -7.525 -4.231 10.224 1.00 . A A . 13 LYS HZ1 1 1 3 2003 1 1 13 LYS HZ2 H -7.716 -5.454 11.377 1.00 . A A . 13 LYS HZ2 1 1 3 2004 1 1 13 LYS HZ3 H -8.959 -4.368 11.080 1.00 . A A . 13 LYS HZ3 1 1 3 2005 1 1 13 LYS N N -10.331 -6.908 4.607 1.00 . A A . 13 LYS N 1 1 3 2006 1 1 13 LYS NZ N -8.196 -4.914 10.630 1.00 . A A . 13 LYS NZ 1 1 3 2007 1 1 13 LYS O O -11.817 -5.352 3.121 1.00 . A A . 13 LYS O 1 1 3 2008 1 1 14 ASP C C -13.228 -2.827 3.180 1.00 . A A . 14 ASP C 1 1 3 2009 1 1 14 ASP CA C -14.070 -3.897 3.848 1.00 . A A . 14 ASP CA 1 1 3 2010 1 1 14 ASP CB C -15.255 -3.237 4.587 1.00 . A A . 14 ASP CB 1 1 3 2011 1 1 14 ASP CG C -16.151 -4.234 5.275 1.00 . A A . 14 ASP CG 1 1 3 2012 1 1 14 ASP H H -13.486 -4.774 5.696 1.00 . A A . 14 ASP H 1 1 3 2013 1 1 14 ASP HA H -14.458 -4.556 3.085 1.00 . A A . 14 ASP HA 1 1 3 2014 1 1 14 ASP HB2 H -14.875 -2.556 5.333 1.00 . A A . 14 ASP HB2 1 1 3 2015 1 1 14 ASP HB3 H -15.846 -2.673 3.879 1.00 . A A . 14 ASP HB3 1 1 3 2016 1 1 14 ASP N N -13.241 -4.713 4.749 1.00 . A A . 14 ASP N 1 1 3 2017 1 1 14 ASP O O -12.937 -2.908 2.001 1.00 . A A . 14 ASP O 1 1 3 2018 1 1 14 ASP OD1 O -17.006 -4.859 4.615 1.00 . A A . 14 ASP OD1 1 1 3 2019 1 1 14 ASP OD2 O -16.004 -4.414 6.502 1.00 . A A . 14 ASP OD2 1 1 3 2020 1 1 15 LYS C C -10.558 -1.017 3.828 1.00 . A A . 15 LYS C 1 1 3 2021 1 1 15 LYS CA C -11.997 -0.793 3.383 1.00 . A A . 15 LYS CA 1 1 3 2022 1 1 15 LYS CB C -12.512 0.551 3.860 1.00 . A A . 15 LYS CB 1 1 3 2023 1 1 15 LYS CD C -14.534 2.012 4.092 1.00 . A A . 15 LYS CD 1 1 3 2024 1 1 15 LYS CE C -16.037 1.989 4.014 1.00 . A A . 15 LYS CE 1 1 3 2025 1 1 15 LYS CG C -13.985 0.720 3.563 1.00 . A A . 15 LYS CG 1 1 3 2026 1 1 15 LYS H H -13.132 -1.787 4.857 1.00 . A A . 15 LYS H 1 1 3 2027 1 1 15 LYS HA H -12.042 -0.832 2.305 1.00 . A A . 15 LYS HA 1 1 3 2028 1 1 15 LYS HB2 H -12.355 0.629 4.928 1.00 . A A . 15 LYS HB2 1 1 3 2029 1 1 15 LYS HB3 H -11.970 1.342 3.362 1.00 . A A . 15 LYS HB3 1 1 3 2030 1 1 15 LYS HD2 H -14.237 2.138 5.122 1.00 . A A . 15 LYS HD2 1 1 3 2031 1 1 15 LYS HD3 H -14.160 2.828 3.493 1.00 . A A . 15 LYS HD3 1 1 3 2032 1 1 15 LYS HE2 H -16.272 1.059 4.511 1.00 . A A . 15 LYS HE2 1 1 3 2033 1 1 15 LYS HE3 H -16.466 2.828 4.537 1.00 . A A . 15 LYS HE3 1 1 3 2034 1 1 15 LYS HG2 H -14.132 0.698 2.493 1.00 . A A . 15 LYS HG2 1 1 3 2035 1 1 15 LYS HG3 H -14.521 -0.105 4.010 1.00 . A A . 15 LYS HG3 1 1 3 2036 1 1 15 LYS HZ1 H -16.248 2.705 2.044 1.00 . A A . 15 LYS HZ1 1 1 3 2037 1 1 15 LYS HZ2 H -17.591 1.899 2.649 1.00 . A A . 15 LYS HZ2 1 1 3 2038 1 1 15 LYS HZ3 H -16.282 0.999 2.163 1.00 . A A . 15 LYS HZ3 1 1 3 2039 1 1 15 LYS N N -12.838 -1.837 3.923 1.00 . A A . 15 LYS N 1 1 3 2040 1 1 15 LYS NZ N -16.550 1.894 2.620 1.00 . A A . 15 LYS NZ 1 1 3 2041 1 1 15 LYS O O -10.271 -1.034 5.029 1.00 . A A . 15 LYS O 1 1 3 2042 1 1 16 VAL C C -7.373 -0.448 2.428 1.00 . A A . 16 VAL C 1 1 3 2043 1 1 16 VAL CA C -8.262 -1.454 3.165 1.00 . A A . 16 VAL CA 1 1 3 2044 1 1 16 VAL CB C -7.806 -2.936 2.909 1.00 . A A . 16 VAL CB 1 1 3 2045 1 1 16 VAL CG1 C -8.538 -3.889 3.841 1.00 . A A . 16 VAL CG1 1 1 3 2046 1 1 16 VAL CG2 C -8.036 -3.367 1.478 1.00 . A A . 16 VAL CG2 1 1 3 2047 1 1 16 VAL H H -9.958 -1.201 1.930 1.00 . A A . 16 VAL H 1 1 3 2048 1 1 16 VAL HA H -8.161 -1.237 4.219 1.00 . A A . 16 VAL HA 1 1 3 2049 1 1 16 VAL HB H -6.748 -2.986 3.126 1.00 . A A . 16 VAL HB 1 1 3 2050 1 1 16 VAL HG11 H -9.604 -3.815 3.677 1.00 . A A . 16 VAL HG11 1 1 3 2051 1 1 16 VAL HG12 H -8.304 -3.635 4.864 1.00 . A A . 16 VAL HG12 1 1 3 2052 1 1 16 VAL HG13 H -8.218 -4.904 3.653 1.00 . A A . 16 VAL HG13 1 1 3 2053 1 1 16 VAL HG21 H -7.399 -2.806 0.812 1.00 . A A . 16 VAL HG21 1 1 3 2054 1 1 16 VAL HG22 H -9.074 -3.210 1.230 1.00 . A A . 16 VAL HG22 1 1 3 2055 1 1 16 VAL HG23 H -7.825 -4.428 1.410 1.00 . A A . 16 VAL HG23 1 1 3 2056 1 1 16 VAL N N -9.671 -1.225 2.870 1.00 . A A . 16 VAL N 1 1 3 2057 1 1 16 VAL O O -7.740 0.042 1.343 1.00 . A A . 16 VAL O 1 1 3 2058 1 1 17 ASP C C -4.277 0.384 1.547 1.00 . A A . 17 ASP C 1 1 3 2059 1 1 17 ASP CA C -5.303 0.900 2.558 1.00 . A A . 17 ASP CA 1 1 3 2060 1 1 17 ASP CB C -4.484 1.434 3.751 1.00 . A A . 17 ASP CB 1 1 3 2061 1 1 17 ASP CG C -5.293 1.834 4.961 1.00 . A A . 17 ASP CG 1 1 3 2062 1 1 17 ASP H H -5.903 -0.650 3.803 1.00 . A A . 17 ASP H 1 1 3 2063 1 1 17 ASP HA H -5.872 1.720 2.149 1.00 . A A . 17 ASP HA 1 1 3 2064 1 1 17 ASP HB2 H -3.788 0.669 4.061 1.00 . A A . 17 ASP HB2 1 1 3 2065 1 1 17 ASP HB3 H -3.923 2.292 3.413 1.00 . A A . 17 ASP HB3 1 1 3 2066 1 1 17 ASP N N -6.219 -0.166 3.014 1.00 . A A . 17 ASP N 1 1 3 2067 1 1 17 ASP O O -3.808 -0.779 1.642 1.00 . A A . 17 ASP O 1 1 3 2068 1 1 17 ASP OD1 O -5.654 0.933 5.759 1.00 . A A . 17 ASP OD1 1 1 3 2069 1 1 17 ASP OD2 O -5.556 3.032 5.152 1.00 . A A . 17 ASP OD2 1 1 3 2070 1 1 18 TRP C C -1.918 2.115 -0.569 1.00 . A A . 18 TRP C 1 1 3 2071 1 1 18 TRP CA C -2.850 0.921 -0.399 1.00 . A A . 18 TRP CA 1 1 3 2072 1 1 18 TRP CB C -3.402 0.556 -1.791 1.00 . A A . 18 TRP CB 1 1 3 2073 1 1 18 TRP CD1 C -5.703 -0.338 -1.272 1.00 . A A . 18 TRP CD1 1 1 3 2074 1 1 18 TRP CD2 C -4.473 -1.714 -2.486 1.00 . A A . 18 TRP CD2 1 1 3 2075 1 1 18 TRP CE2 C -5.689 -2.331 -2.243 1.00 . A A . 18 TRP CE2 1 1 3 2076 1 1 18 TRP CE3 C -3.539 -2.374 -3.240 1.00 . A A . 18 TRP CE3 1 1 3 2077 1 1 18 TRP CG C -4.489 -0.460 -1.817 1.00 . A A . 18 TRP CG 1 1 3 2078 1 1 18 TRP CH2 C -5.050 -4.212 -3.500 1.00 . A A . 18 TRP CH2 1 1 3 2079 1 1 18 TRP CZ2 C -5.999 -3.595 -2.742 1.00 . A A . 18 TRP CZ2 1 1 3 2080 1 1 18 TRP CZ3 C -3.830 -3.608 -3.752 1.00 . A A . 18 TRP CZ3 1 1 3 2081 1 1 18 TRP H H -4.379 2.110 0.569 1.00 . A A . 18 TRP H 1 1 3 2082 1 1 18 TRP HA H -2.274 0.097 -0.004 1.00 . A A . 18 TRP HA 1 1 3 2083 1 1 18 TRP HB2 H -3.653 1.417 -2.372 1.00 . A A . 18 TRP HB2 1 1 3 2084 1 1 18 TRP HB3 H -2.563 0.117 -2.308 1.00 . A A . 18 TRP HB3 1 1 3 2085 1 1 18 TRP HD1 H -5.970 0.559 -0.727 1.00 . A A . 18 TRP HD1 1 1 3 2086 1 1 18 TRP HE1 H -7.336 -1.675 -1.157 1.00 . A A . 18 TRP HE1 1 1 3 2087 1 1 18 TRP HE3 H -2.606 -1.886 -3.434 1.00 . A A . 18 TRP HE3 1 1 3 2088 1 1 18 TRP HH2 H -5.231 -5.182 -3.936 1.00 . A A . 18 TRP HH2 1 1 3 2089 1 1 18 TRP HZ2 H -6.947 -4.073 -2.552 1.00 . A A . 18 TRP HZ2 1 1 3 2090 1 1 18 TRP HZ3 H -3.100 -4.133 -4.353 1.00 . A A . 18 TRP HZ3 1 1 3 2091 1 1 18 TRP N N -3.902 1.250 0.587 1.00 . A A . 18 TRP N 1 1 3 2092 1 1 18 TRP NE1 N -6.420 -1.483 -1.475 1.00 . A A . 18 TRP NE1 1 1 3 2093 1 1 18 TRP O O -2.268 3.255 -0.190 1.00 . A A . 18 TRP O 1 1 3 2094 1 1 19 VAL C C 0.884 2.508 -2.724 1.00 . A A . 19 VAL C 1 1 3 2095 1 1 19 VAL CA C 0.281 2.859 -1.397 1.00 . A A . 19 VAL CA 1 1 3 2096 1 1 19 VAL CB C 1.478 2.697 -0.445 1.00 . A A . 19 VAL CB 1 1 3 2097 1 1 19 VAL CG1 C 2.377 3.918 -0.415 1.00 . A A . 19 VAL CG1 1 1 3 2098 1 1 19 VAL CG2 C 1.133 2.189 0.911 1.00 . A A . 19 VAL CG2 1 1 3 2099 1 1 19 VAL H H -0.503 0.968 -1.470 1.00 . A A . 19 VAL H 1 1 3 2100 1 1 19 VAL HA H -0.098 3.868 -1.351 1.00 . A A . 19 VAL HA 1 1 3 2101 1 1 19 VAL HB H 2.053 1.941 -0.954 1.00 . A A . 19 VAL HB 1 1 3 2102 1 1 19 VAL HG11 H 2.746 4.124 -1.407 1.00 . A A . 19 VAL HG11 1 1 3 2103 1 1 19 VAL HG12 H 3.210 3.720 0.242 1.00 . A A . 19 VAL HG12 1 1 3 2104 1 1 19 VAL HG13 H 1.821 4.771 -0.053 1.00 . A A . 19 VAL HG13 1 1 3 2105 1 1 19 VAL HG21 H 2.073 2.017 1.412 1.00 . A A . 19 VAL HG21 1 1 3 2106 1 1 19 VAL HG22 H 0.630 1.239 0.798 1.00 . A A . 19 VAL HG22 1 1 3 2107 1 1 19 VAL HG23 H 0.539 2.908 1.456 1.00 . A A . 19 VAL HG23 1 1 3 2108 1 1 19 VAL N N -0.753 1.861 -1.146 1.00 . A A . 19 VAL N 1 1 3 2109 1 1 19 VAL O O 1.043 1.330 -3.006 1.00 . A A . 19 VAL O 1 1 3 2110 1 1 20 GLN C C 3.321 3.676 -4.554 1.00 . A A . 20 GLN C 1 1 3 2111 1 1 20 GLN CA C 1.924 3.167 -4.714 1.00 . A A . 20 GLN CA 1 1 3 2112 1 1 20 GLN CB C 1.305 3.776 -5.942 1.00 . A A . 20 GLN CB 1 1 3 2113 1 1 20 GLN CD C 0.813 3.358 -8.405 1.00 . A A . 20 GLN CD 1 1 3 2114 1 1 20 GLN CG C 1.363 2.815 -7.118 1.00 . A A . 20 GLN CG 1 1 3 2115 1 1 20 GLN H H 0.848 4.356 -3.298 1.00 . A A . 20 GLN H 1 1 3 2116 1 1 20 GLN HA H 1.954 2.092 -4.817 1.00 . A A . 20 GLN HA 1 1 3 2117 1 1 20 GLN HB2 H 0.303 4.102 -5.706 1.00 . A A . 20 GLN HB2 1 1 3 2118 1 1 20 GLN HB3 H 1.877 4.656 -6.195 1.00 . A A . 20 GLN HB3 1 1 3 2119 1 1 20 GLN HE21 H 1.927 2.075 -9.412 1.00 . A A . 20 GLN HE21 1 1 3 2120 1 1 20 GLN HE22 H 0.930 3.107 -10.357 1.00 . A A . 20 GLN HE22 1 1 3 2121 1 1 20 GLN HG2 H 2.393 2.543 -7.287 1.00 . A A . 20 GLN HG2 1 1 3 2122 1 1 20 GLN HG3 H 0.811 1.924 -6.857 1.00 . A A . 20 GLN HG3 1 1 3 2123 1 1 20 GLN N N 1.189 3.464 -3.527 1.00 . A A . 20 GLN N 1 1 3 2124 1 1 20 GLN NE2 N 1.265 2.804 -9.494 1.00 . A A . 20 GLN NE2 1 1 3 2125 1 1 20 GLN O O 3.522 4.752 -4.001 1.00 . A A . 20 GLN O 1 1 3 2126 1 1 20 GLN OE1 O -0.049 4.221 -8.418 1.00 . A A . 20 GLN OE1 1 1 3 2127 1 1 21 CYS C C 5.973 4.271 -6.081 1.00 . A A . 21 CYS C 1 1 3 2128 1 1 21 CYS CA C 5.664 3.298 -4.932 1.00 . A A . 21 CYS CA 1 1 3 2129 1 1 21 CYS CB C 6.517 2.050 -5.083 1.00 . A A . 21 CYS CB 1 1 3 2130 1 1 21 CYS H H 4.082 2.032 -5.398 1.00 . A A . 21 CYS H 1 1 3 2131 1 1 21 CYS HA H 5.871 3.755 -3.977 1.00 . A A . 21 CYS HA 1 1 3 2132 1 1 21 CYS HB2 H 6.112 1.235 -4.508 1.00 . A A . 21 CYS HB2 1 1 3 2133 1 1 21 CYS HB3 H 6.458 1.758 -6.121 1.00 . A A . 21 CYS HB3 1 1 3 2134 1 1 21 CYS N N 4.274 2.908 -4.998 1.00 . A A . 21 CYS N 1 1 3 2135 1 1 21 CYS O O 5.484 4.090 -7.209 1.00 . A A . 21 CYS O 1 1 3 2136 1 1 21 CYS SG S 8.274 2.184 -4.661 1.00 . A A . 21 CYS SG 1 1 3 2137 1 1 22 ASP C C 8.689 6.102 -7.092 1.00 . A A . 22 ASP C 1 1 3 2138 1 1 22 ASP CA C 7.209 6.279 -6.789 1.00 . A A . 22 ASP CA 1 1 3 2139 1 1 22 ASP CB C 7.010 7.707 -6.246 1.00 . A A . 22 ASP CB 1 1 3 2140 1 1 22 ASP CG C 5.587 8.065 -5.899 1.00 . A A . 22 ASP CG 1 1 3 2141 1 1 22 ASP H H 7.098 5.354 -4.860 1.00 . A A . 22 ASP H 1 1 3 2142 1 1 22 ASP HA H 6.635 6.156 -7.694 1.00 . A A . 22 ASP HA 1 1 3 2143 1 1 22 ASP HB2 H 7.606 7.817 -5.355 1.00 . A A . 22 ASP HB2 1 1 3 2144 1 1 22 ASP HB3 H 7.374 8.406 -6.982 1.00 . A A . 22 ASP HB3 1 1 3 2145 1 1 22 ASP N N 6.781 5.273 -5.792 1.00 . A A . 22 ASP N 1 1 3 2146 1 1 22 ASP O O 9.308 6.943 -7.726 1.00 . A A . 22 ASP O 1 1 3 2147 1 1 22 ASP OD1 O 5.181 7.825 -4.751 1.00 . A A . 22 ASP OD1 1 1 3 2148 1 1 22 ASP OD2 O 4.865 8.638 -6.776 1.00 . A A . 22 ASP OD2 1 1 3 2149 1 1 23 GLY C C 11.061 3.766 -7.854 1.00 . A A . 23 GLY C 1 1 3 2150 1 1 23 GLY CA C 10.681 4.786 -6.806 1.00 . A A . 23 GLY CA 1 1 3 2151 1 1 23 GLY H H 8.704 4.286 -6.249 1.00 . A A . 23 GLY H 1 1 3 2152 1 1 23 GLY HA2 H 11.113 5.732 -7.098 1.00 . A A . 23 GLY HA2 1 1 3 2153 1 1 23 GLY HA3 H 11.106 4.494 -5.857 1.00 . A A . 23 GLY HA3 1 1 3 2154 1 1 23 GLY N N 9.255 4.985 -6.654 1.00 . A A . 23 GLY N 1 1 3 2155 1 1 23 GLY O O 12.213 3.336 -7.913 1.00 . A A . 23 GLY O 1 1 3 2156 1 1 24 GLY C C 9.564 1.254 -9.938 1.00 . A A . 24 GLY C 1 1 3 2157 1 1 24 GLY CA C 10.483 2.440 -9.729 1.00 . A A . 24 GLY CA 1 1 3 2158 1 1 24 GLY H H 9.226 3.734 -8.526 1.00 . A A . 24 GLY H 1 1 3 2159 1 1 24 GLY HA2 H 10.529 3.000 -10.648 1.00 . A A . 24 GLY HA2 1 1 3 2160 1 1 24 GLY HA3 H 11.475 2.075 -9.513 1.00 . A A . 24 GLY HA3 1 1 3 2161 1 1 24 GLY N N 10.118 3.356 -8.661 1.00 . A A . 24 GLY N 1 1 3 2162 1 1 24 GLY O O 9.185 0.976 -11.059 1.00 . A A . 24 GLY O 1 1 3 2163 1 1 25 CYS C C 6.935 -0.363 -9.367 1.00 . A A . 25 CYS C 1 1 3 2164 1 1 25 CYS CA C 8.397 -0.692 -9.039 1.00 . A A . 25 CYS CA 1 1 3 2165 1 1 25 CYS CB C 8.481 -1.661 -7.830 1.00 . A A . 25 CYS CB 1 1 3 2166 1 1 25 CYS H H 9.576 0.796 -7.988 1.00 . A A . 25 CYS H 1 1 3 2167 1 1 25 CYS HA H 8.800 -1.197 -9.907 1.00 . A A . 25 CYS HA 1 1 3 2168 1 1 25 CYS HB2 H 7.988 -2.580 -8.099 1.00 . A A . 25 CYS HB2 1 1 3 2169 1 1 25 CYS HB3 H 9.517 -1.875 -7.614 1.00 . A A . 25 CYS HB3 1 1 3 2170 1 1 25 CYS N N 9.226 0.526 -8.863 1.00 . A A . 25 CYS N 1 1 3 2171 1 1 25 CYS O O 6.226 -1.190 -9.924 1.00 . A A . 25 CYS O 1 1 3 2172 1 1 25 CYS SG S 7.701 -1.104 -6.284 1.00 . A A . 25 CYS SG 1 1 3 2173 1 1 26 ASP C C 4.005 0.422 -8.918 1.00 . A A . 26 ASP C 1 1 3 2174 1 1 26 ASP CA C 5.143 1.409 -9.245 1.00 . A A . 26 ASP CA 1 1 3 2175 1 1 26 ASP CB C 4.982 2.020 -10.643 1.00 . A A . 26 ASP CB 1 1 3 2176 1 1 26 ASP CG C 5.749 3.325 -10.785 1.00 . A A . 26 ASP CG 1 1 3 2177 1 1 26 ASP H H 7.228 1.548 -8.877 1.00 . A A . 26 ASP H 1 1 3 2178 1 1 26 ASP HA H 5.025 2.219 -8.538 1.00 . A A . 26 ASP HA 1 1 3 2179 1 1 26 ASP HB2 H 5.370 1.334 -11.384 1.00 . A A . 26 ASP HB2 1 1 3 2180 1 1 26 ASP HB3 H 3.937 2.219 -10.836 1.00 . A A . 26 ASP HB3 1 1 3 2181 1 1 26 ASP N N 6.533 0.890 -9.066 1.00 . A A . 26 ASP N 1 1 3 2182 1 1 26 ASP O O 2.893 0.568 -9.408 1.00 . A A . 26 ASP O 1 1 3 2183 1 1 26 ASP OD1 O 6.994 3.327 -10.615 1.00 . A A . 26 ASP OD1 1 1 3 2184 1 1 26 ASP OD2 O 5.117 4.372 -11.087 1.00 . A A . 26 ASP OD2 1 1 3 2185 1 1 27 GLU C C 2.584 -0.927 -6.376 1.00 . A A . 27 GLU C 1 1 3 2186 1 1 27 GLU CA C 3.264 -1.430 -7.630 1.00 . A A . 27 GLU CA 1 1 3 2187 1 1 27 GLU CB C 3.822 -2.848 -7.461 1.00 . A A . 27 GLU CB 1 1 3 2188 1 1 27 GLU CD C 4.658 -4.946 -8.634 1.00 . A A . 27 GLU CD 1 1 3 2189 1 1 27 GLU CG C 4.212 -3.503 -8.773 1.00 . A A . 27 GLU CG 1 1 3 2190 1 1 27 GLU H H 5.154 -0.468 -7.647 1.00 . A A . 27 GLU H 1 1 3 2191 1 1 27 GLU HA H 2.520 -1.438 -8.418 1.00 . A A . 27 GLU HA 1 1 3 2192 1 1 27 GLU HB2 H 4.693 -2.815 -6.823 1.00 . A A . 27 GLU HB2 1 1 3 2193 1 1 27 GLU HB3 H 3.070 -3.452 -6.987 1.00 . A A . 27 GLU HB3 1 1 3 2194 1 1 27 GLU HG2 H 3.358 -3.480 -9.430 1.00 . A A . 27 GLU HG2 1 1 3 2195 1 1 27 GLU HG3 H 5.022 -2.934 -9.201 1.00 . A A . 27 GLU HG3 1 1 3 2196 1 1 27 GLU N N 4.260 -0.503 -8.035 1.00 . A A . 27 GLU N 1 1 3 2197 1 1 27 GLU O O 3.071 0.028 -5.718 1.00 . A A . 27 GLU O 1 1 3 2198 1 1 27 GLU OE1 O 5.856 -5.186 -8.457 1.00 . A A . 27 GLU OE1 1 1 3 2199 1 1 27 GLU OE2 O 3.809 -5.865 -8.755 1.00 . A A . 27 GLU OE2 1 1 3 2200 1 1 28 TRP C C 0.963 -2.000 -3.713 1.00 . A A . 28 TRP C 1 1 3 2201 1 1 28 TRP CA C 0.711 -1.115 -4.906 1.00 . A A . 28 TRP CA 1 1 3 2202 1 1 28 TRP CB C -0.791 -1.084 -5.205 1.00 . A A . 28 TRP CB 1 1 3 2203 1 1 28 TRP CD1 C -1.301 -0.108 -7.546 1.00 . A A . 28 TRP CD1 1 1 3 2204 1 1 28 TRP CD2 C -1.783 1.260 -5.838 1.00 . A A . 28 TRP CD2 1 1 3 2205 1 1 28 TRP CE2 C -2.123 1.902 -7.035 1.00 . A A . 28 TRP CE2 1 1 3 2206 1 1 28 TRP CE3 C -1.995 1.938 -4.637 1.00 . A A . 28 TRP CE3 1 1 3 2207 1 1 28 TRP CG C -1.256 -0.034 -6.180 1.00 . A A . 28 TRP CG 1 1 3 2208 1 1 28 TRP CH2 C -2.859 3.812 -5.877 1.00 . A A . 28 TRP CH2 1 1 3 2209 1 1 28 TRP CZ2 C -2.665 3.177 -7.065 1.00 . A A . 28 TRP CZ2 1 1 3 2210 1 1 28 TRP CZ3 C -2.526 3.198 -4.671 1.00 . A A . 28 TRP CZ3 1 1 3 2211 1 1 28 TRP H H 1.214 -2.335 -6.541 1.00 . A A . 28 TRP H 1 1 3 2212 1 1 28 TRP HA H 1.029 -0.110 -4.671 1.00 . A A . 28 TRP HA 1 1 3 2213 1 1 28 TRP HB2 H -1.133 -2.045 -5.563 1.00 . A A . 28 TRP HB2 1 1 3 2214 1 1 28 TRP HB3 H -1.277 -0.863 -4.266 1.00 . A A . 28 TRP HB3 1 1 3 2215 1 1 28 TRP HD1 H -0.985 -0.942 -8.152 1.00 . A A . 28 TRP HD1 1 1 3 2216 1 1 28 TRP HE1 H -1.972 1.258 -9.006 1.00 . A A . 28 TRP HE1 1 1 3 2217 1 1 28 TRP HE3 H -1.762 1.494 -3.682 1.00 . A A . 28 TRP HE3 1 1 3 2218 1 1 28 TRP HH2 H -3.272 4.809 -5.860 1.00 . A A . 28 TRP HH2 1 1 3 2219 1 1 28 TRP HZ2 H -2.933 3.644 -7.997 1.00 . A A . 28 TRP HZ2 1 1 3 2220 1 1 28 TRP HZ3 H -2.684 3.713 -3.734 1.00 . A A . 28 TRP HZ3 1 1 3 2221 1 1 28 TRP N N 1.486 -1.539 -6.038 1.00 . A A . 28 TRP N 1 1 3 2222 1 1 28 TRP NE1 N -1.830 1.052 -8.055 1.00 . A A . 28 TRP NE1 1 1 3 2223 1 1 28 TRP O O 1.042 -3.233 -3.839 1.00 . A A . 28 TRP O 1 1 3 2224 1 1 29 PHE C C 0.272 -1.665 -0.341 1.00 . A A . 29 PHE C 1 1 3 2225 1 1 29 PHE CA C 1.335 -2.067 -1.327 1.00 . A A . 29 PHE CA 1 1 3 2226 1 1 29 PHE CB C 2.630 -1.651 -0.685 1.00 . A A . 29 PHE CB 1 1 3 2227 1 1 29 PHE CD1 C 4.407 -2.541 -2.184 1.00 . A A . 29 PHE CD1 1 1 3 2228 1 1 29 PHE CD2 C 4.269 -0.202 -1.780 1.00 . A A . 29 PHE CD2 1 1 3 2229 1 1 29 PHE CE1 C 5.501 -2.339 -2.995 1.00 . A A . 29 PHE CE1 1 1 3 2230 1 1 29 PHE CE2 C 5.345 0.006 -2.575 1.00 . A A . 29 PHE CE2 1 1 3 2231 1 1 29 PHE CG C 3.785 -1.468 -1.573 1.00 . A A . 29 PHE CG 1 1 3 2232 1 1 29 PHE CZ C 5.970 -1.058 -3.193 1.00 . A A . 29 PHE CZ 1 1 3 2233 1 1 29 PHE H H 1.115 -0.393 -2.614 1.00 . A A . 29 PHE H 1 1 3 2234 1 1 29 PHE HA H 1.344 -3.134 -1.487 1.00 . A A . 29 PHE HA 1 1 3 2235 1 1 29 PHE HB2 H 2.469 -0.716 -0.168 1.00 . A A . 29 PHE HB2 1 1 3 2236 1 1 29 PHE HB3 H 2.887 -2.404 0.042 1.00 . A A . 29 PHE HB3 1 1 3 2237 1 1 29 PHE HD1 H 4.030 -3.540 -2.024 1.00 . A A . 29 PHE HD1 1 1 3 2238 1 1 29 PHE HD2 H 3.784 0.646 -1.310 1.00 . A A . 29 PHE HD2 1 1 3 2239 1 1 29 PHE HE1 H 5.988 -3.175 -3.478 1.00 . A A . 29 PHE HE1 1 1 3 2240 1 1 29 PHE HE2 H 5.683 1.021 -2.686 1.00 . A A . 29 PHE HE2 1 1 3 2241 1 1 29 PHE HZ H 6.830 -0.879 -3.822 1.00 . A A . 29 PHE HZ 1 1 3 2242 1 1 29 PHE N N 1.115 -1.376 -2.578 1.00 . A A . 29 PHE N 1 1 3 2243 1 1 29 PHE O O -0.516 -0.808 -0.618 1.00 . A A . 29 PHE O 1 1 3 2244 1 1 30 HIS C C 0.330 -1.084 2.813 1.00 . A A . 30 HIS C 1 1 3 2245 1 1 30 HIS CA C -0.585 -1.859 1.890 1.00 . A A . 30 HIS CA 1 1 3 2246 1 1 30 HIS CB C -1.162 -3.017 2.685 1.00 . A A . 30 HIS CB 1 1 3 2247 1 1 30 HIS CD2 C -3.408 -4.031 1.838 1.00 . A A . 30 HIS CD2 1 1 3 2248 1 1 30 HIS CE1 C -2.592 -5.906 1.011 1.00 . A A . 30 HIS CE1 1 1 3 2249 1 1 30 HIS CG C -2.054 -3.977 1.959 1.00 . A A . 30 HIS CG 1 1 3 2250 1 1 30 HIS H H 0.900 -3.050 0.874 1.00 . A A . 30 HIS H 1 1 3 2251 1 1 30 HIS HA H -1.363 -1.225 1.495 1.00 . A A . 30 HIS HA 1 1 3 2252 1 1 30 HIS HB2 H -0.334 -3.594 3.069 1.00 . A A . 30 HIS HB2 1 1 3 2253 1 1 30 HIS HB3 H -1.713 -2.613 3.524 1.00 . A A . 30 HIS HB3 1 1 3 2254 1 1 30 HIS HD2 H -4.102 -3.267 2.159 1.00 . A A . 30 HIS HD2 1 1 3 2255 1 1 30 HIS HE1 H -2.512 -6.938 0.690 1.00 . A A . 30 HIS HE1 1 1 3 2256 1 1 30 HIS HE2 H -4.520 -5.380 0.688 1.00 . A A . 30 HIS HE2 1 1 3 2257 1 1 30 HIS N N 0.257 -2.309 0.804 1.00 . A A . 30 HIS N 1 1 3 2258 1 1 30 HIS ND1 N -1.579 -5.151 1.414 1.00 . A A . 30 HIS ND1 1 1 3 2259 1 1 30 HIS NE2 N -3.720 -5.242 1.241 1.00 . A A . 30 HIS NE2 1 1 3 2260 1 1 30 HIS O O 1.434 -1.531 3.040 1.00 . A A . 30 HIS O 1 1 3 2261 1 1 31 GLN C C 1.349 0.047 5.335 1.00 . A A . 31 GLN C 1 1 3 2262 1 1 31 GLN CA C 0.656 0.880 4.253 1.00 . A A . 31 GLN CA 1 1 3 2263 1 1 31 GLN CB C -0.312 1.839 4.926 1.00 . A A . 31 GLN CB 1 1 3 2264 1 1 31 GLN CD C -0.411 3.989 3.560 1.00 . A A . 31 GLN CD 1 1 3 2265 1 1 31 GLN CG C -1.096 2.704 3.950 1.00 . A A . 31 GLN CG 1 1 3 2266 1 1 31 GLN H H -1.013 0.365 3.099 1.00 . A A . 31 GLN H 1 1 3 2267 1 1 31 GLN HA H 1.365 1.452 3.678 1.00 . A A . 31 GLN HA 1 1 3 2268 1 1 31 GLN HB2 H -1.007 1.296 5.548 1.00 . A A . 31 GLN HB2 1 1 3 2269 1 1 31 GLN HB3 H 0.276 2.503 5.541 1.00 . A A . 31 GLN HB3 1 1 3 2270 1 1 31 GLN HE21 H -1.339 4.018 1.800 1.00 . A A . 31 GLN HE21 1 1 3 2271 1 1 31 GLN HE22 H -0.240 5.312 2.145 1.00 . A A . 31 GLN HE22 1 1 3 2272 1 1 31 GLN HG2 H -1.065 2.087 3.062 1.00 . A A . 31 GLN HG2 1 1 3 2273 1 1 31 GLN HG3 H -2.104 2.878 4.286 1.00 . A A . 31 GLN HG3 1 1 3 2274 1 1 31 GLN N N -0.128 0.030 3.346 1.00 . A A . 31 GLN N 1 1 3 2275 1 1 31 GLN NE2 N -0.699 4.482 2.384 1.00 . A A . 31 GLN NE2 1 1 3 2276 1 1 31 GLN O O 2.553 0.117 5.495 1.00 . A A . 31 GLN O 1 1 3 2277 1 1 31 GLN OE1 O 0.344 4.549 4.320 1.00 . A A . 31 GLN OE1 1 1 3 2278 1 1 32 VAL C C 2.093 -2.700 6.699 1.00 . A A . 32 VAL C 1 1 3 2279 1 1 32 VAL CA C 1.102 -1.581 7.113 1.00 . A A . 32 VAL CA 1 1 3 2280 1 1 32 VAL CB C -0.055 -2.187 7.952 1.00 . A A . 32 VAL CB 1 1 3 2281 1 1 32 VAL CG1 C -0.943 -1.081 8.521 1.00 . A A . 32 VAL CG1 1 1 3 2282 1 1 32 VAL CG2 C -0.891 -3.154 7.109 1.00 . A A . 32 VAL CG2 1 1 3 2283 1 1 32 VAL H H -0.339 -0.944 5.745 1.00 . A A . 32 VAL H 1 1 3 2284 1 1 32 VAL HA H 1.638 -0.882 7.743 1.00 . A A . 32 VAL HA 1 1 3 2285 1 1 32 VAL HB H 0.380 -2.733 8.776 1.00 . A A . 32 VAL HB 1 1 3 2286 1 1 32 VAL HG11 H -1.718 -1.510 9.142 1.00 . A A . 32 VAL HG11 1 1 3 2287 1 1 32 VAL HG12 H -1.402 -0.555 7.697 1.00 . A A . 32 VAL HG12 1 1 3 2288 1 1 32 VAL HG13 H -0.350 -0.390 9.104 1.00 . A A . 32 VAL HG13 1 1 3 2289 1 1 32 VAL HG21 H -1.669 -3.588 7.720 1.00 . A A . 32 VAL HG21 1 1 3 2290 1 1 32 VAL HG22 H -0.245 -3.935 6.734 1.00 . A A . 32 VAL HG22 1 1 3 2291 1 1 32 VAL HG23 H -1.344 -2.620 6.287 1.00 . A A . 32 VAL HG23 1 1 3 2292 1 1 32 VAL N N 0.594 -0.797 5.998 1.00 . A A . 32 VAL N 1 1 3 2293 1 1 32 VAL O O 3.000 -3.028 7.444 1.00 . A A . 32 VAL O 1 1 3 2294 1 1 33 CYS C C 4.099 -3.988 4.551 1.00 . A A . 33 CYS C 1 1 3 2295 1 1 33 CYS CA C 2.735 -4.419 5.114 1.00 . A A . 33 CYS CA 1 1 3 2296 1 1 33 CYS CB C 1.988 -5.305 4.088 1.00 . A A . 33 CYS CB 1 1 3 2297 1 1 33 CYS H H 1.326 -2.861 4.836 1.00 . A A . 33 CYS H 1 1 3 2298 1 1 33 CYS HA H 2.914 -4.996 6.009 1.00 . A A . 33 CYS HA 1 1 3 2299 1 1 33 CYS HB2 H 2.585 -6.158 3.831 1.00 . A A . 33 CYS HB2 1 1 3 2300 1 1 33 CYS HB3 H 1.002 -5.605 4.403 1.00 . A A . 33 CYS HB3 1 1 3 2301 1 1 33 CYS N N 1.931 -3.255 5.497 1.00 . A A . 33 CYS N 1 1 3 2302 1 1 33 CYS O O 5.063 -4.755 4.567 1.00 . A A . 33 CYS O 1 1 3 2303 1 1 33 CYS SG S 1.717 -4.490 2.567 1.00 . A A . 33 CYS SG 1 1 3 2304 1 1 34 VAL C C 5.993 -1.188 4.406 1.00 . A A . 34 VAL C 1 1 3 2305 1 1 34 VAL CA C 5.342 -2.262 3.462 1.00 . A A . 34 VAL CA 1 1 3 2306 1 1 34 VAL CB C 4.998 -1.670 2.077 1.00 . A A . 34 VAL CB 1 1 3 2307 1 1 34 VAL CG1 C 4.146 -0.424 2.176 1.00 . A A . 34 VAL CG1 1 1 3 2308 1 1 34 VAL CG2 C 6.229 -1.428 1.307 1.00 . A A . 34 VAL CG2 1 1 3 2309 1 1 34 VAL H H 3.434 -2.125 4.067 1.00 . A A . 34 VAL H 1 1 3 2310 1 1 34 VAL HA H 6.019 -3.094 3.330 1.00 . A A . 34 VAL HA 1 1 3 2311 1 1 34 VAL HB H 4.399 -2.380 1.524 1.00 . A A . 34 VAL HB 1 1 3 2312 1 1 34 VAL HG11 H 3.171 -0.596 2.624 1.00 . A A . 34 VAL HG11 1 1 3 2313 1 1 34 VAL HG12 H 4.015 0.005 1.192 1.00 . A A . 34 VAL HG12 1 1 3 2314 1 1 34 VAL HG13 H 4.698 0.279 2.780 1.00 . A A . 34 VAL HG13 1 1 3 2315 1 1 34 VAL HG21 H 5.989 -0.947 0.373 1.00 . A A . 34 VAL HG21 1 1 3 2316 1 1 34 VAL HG22 H 6.685 -2.395 1.167 1.00 . A A . 34 VAL HG22 1 1 3 2317 1 1 34 VAL HG23 H 6.816 -0.805 1.965 1.00 . A A . 34 VAL HG23 1 1 3 2318 1 1 34 VAL N N 4.170 -2.765 4.055 1.00 . A A . 34 VAL N 1 1 3 2319 1 1 34 VAL O O 6.942 -0.507 4.047 1.00 . A A . 34 VAL O 1 1 3 2320 1 1 35 GLY C C 5.864 1.308 6.246 1.00 . A A . 35 GLY C 1 1 3 2321 1 1 35 GLY CA C 6.004 -0.174 6.612 1.00 . A A . 35 GLY CA 1 1 3 2322 1 1 35 GLY H H 4.844 -1.804 5.887 1.00 . A A . 35 GLY H 1 1 3 2323 1 1 35 GLY HA2 H 5.477 -0.342 7.538 1.00 . A A . 35 GLY HA2 1 1 3 2324 1 1 35 GLY HA3 H 7.049 -0.393 6.783 1.00 . A A . 35 GLY HA3 1 1 3 2325 1 1 35 GLY N N 5.498 -1.124 5.627 1.00 . A A . 35 GLY N 1 1 3 2326 1 1 35 GLY O O 6.830 2.070 6.374 1.00 . A A . 35 GLY O 1 1 3 2327 1 1 36 VAL C C 3.567 3.629 6.664 1.00 . A A . 36 VAL C 1 1 3 2328 1 1 36 VAL CA C 4.414 3.120 5.519 1.00 . A A . 36 VAL CA 1 1 3 2329 1 1 36 VAL CB C 3.517 3.343 4.246 1.00 . A A . 36 VAL CB 1 1 3 2330 1 1 36 VAL CG1 C 3.353 4.749 3.896 1.00 . A A . 36 VAL CG1 1 1 3 2331 1 1 36 VAL CG2 C 3.987 2.702 3.052 1.00 . A A . 36 VAL CG2 1 1 3 2332 1 1 36 VAL H H 3.978 1.051 5.650 1.00 . A A . 36 VAL H 1 1 3 2333 1 1 36 VAL HA H 5.328 3.684 5.425 1.00 . A A . 36 VAL HA 1 1 3 2334 1 1 36 VAL HB H 2.542 2.938 4.476 1.00 . A A . 36 VAL HB 1 1 3 2335 1 1 36 VAL HG11 H 3.108 5.368 4.742 1.00 . A A . 36 VAL HG11 1 1 3 2336 1 1 36 VAL HG12 H 2.480 4.660 3.260 1.00 . A A . 36 VAL HG12 1 1 3 2337 1 1 36 VAL HG13 H 4.203 5.075 3.315 1.00 . A A . 36 VAL HG13 1 1 3 2338 1 1 36 VAL HG21 H 5.059 2.706 2.958 1.00 . A A . 36 VAL HG21 1 1 3 2339 1 1 36 VAL HG22 H 3.524 3.346 2.307 1.00 . A A . 36 VAL HG22 1 1 3 2340 1 1 36 VAL HG23 H 3.532 1.725 3.016 1.00 . A A . 36 VAL HG23 1 1 3 2341 1 1 36 VAL N N 4.696 1.709 5.790 1.00 . A A . 36 VAL N 1 1 3 2342 1 1 36 VAL O O 2.808 2.865 7.262 1.00 . A A . 36 VAL O 1 1 3 2343 1 1 37 SER C C 1.960 6.407 6.906 1.00 . A A . 37 SER C 1 1 3 2344 1 1 37 SER CA C 2.765 5.516 7.837 1.00 . A A . 37 SER CA 1 1 3 2345 1 1 37 SER CB C 3.533 6.353 8.885 1.00 . A A . 37 SER CB 1 1 3 2346 1 1 37 SER H H 4.284 5.555 6.585 1.00 . A A . 37 SER H 1 1 3 2347 1 1 37 SER HA H 2.132 4.778 8.311 1.00 . A A . 37 SER HA 1 1 3 2348 1 1 37 SER HB2 H 4.131 5.685 9.483 1.00 . A A . 37 SER HB2 1 1 3 2349 1 1 37 SER HB3 H 4.158 7.081 8.392 1.00 . A A . 37 SER HB3 1 1 3 2350 1 1 37 SER HG H 3.187 7.611 10.329 1.00 . A A . 37 SER HG 1 1 3 2351 1 1 37 SER N N 3.669 4.886 6.957 1.00 . A A . 37 SER N 1 1 3 2352 1 1 37 SER O O 2.554 6.954 5.949 1.00 . A A . 37 SER O 1 1 3 2353 1 1 37 SER OG O 2.662 7.019 9.775 1.00 . A A . 37 SER OG 1 1 3 2354 1 1 38 PRO C C 0.366 8.789 6.022 1.00 . A A . 38 PRO C 1 1 3 2355 1 1 38 PRO CA C -0.222 7.399 6.220 1.00 . A A . 38 PRO CA 1 1 3 2356 1 1 38 PRO CB C -1.539 7.491 6.969 1.00 . A A . 38 PRO CB 1 1 3 2357 1 1 38 PRO CD C -0.151 5.937 8.185 1.00 . A A . 38 PRO CD 1 1 3 2358 1 1 38 PRO CG C -1.576 6.282 7.847 1.00 . A A . 38 PRO CG 1 1 3 2359 1 1 38 PRO HA H -0.364 6.931 5.259 1.00 . A A . 38 PRO HA 1 1 3 2360 1 1 38 PRO HB2 H -1.542 8.406 7.542 1.00 . A A . 38 PRO HB2 1 1 3 2361 1 1 38 PRO HB3 H -2.359 7.493 6.264 1.00 . A A . 38 PRO HB3 1 1 3 2362 1 1 38 PRO HD2 H 0.119 6.349 9.143 1.00 . A A . 38 PRO HD2 1 1 3 2363 1 1 38 PRO HD3 H -0.021 4.867 8.179 1.00 . A A . 38 PRO HD3 1 1 3 2364 1 1 38 PRO HG2 H -2.105 6.519 8.757 1.00 . A A . 38 PRO HG2 1 1 3 2365 1 1 38 PRO HG3 H -2.058 5.462 7.335 1.00 . A A . 38 PRO HG3 1 1 3 2366 1 1 38 PRO N N 0.630 6.565 7.107 1.00 . A A . 38 PRO N 1 1 3 2367 1 1 38 PRO O O 0.181 9.419 4.995 1.00 . A A . 38 PRO O 1 1 3 2368 1 1 39 GLU C C 2.800 10.531 5.801 1.00 . A A . 39 GLU C 1 1 3 2369 1 1 39 GLU CA C 1.818 10.493 6.980 1.00 . A A . 39 GLU CA 1 1 3 2370 1 1 39 GLU CB C 2.613 10.616 8.275 1.00 . A A . 39 GLU CB 1 1 3 2371 1 1 39 GLU CD C 4.267 11.852 9.676 1.00 . A A . 39 GLU CD 1 1 3 2372 1 1 39 GLU CG C 3.426 11.888 8.432 1.00 . A A . 39 GLU CG 1 1 3 2373 1 1 39 GLU H H 1.256 8.642 7.793 1.00 . A A . 39 GLU H 1 1 3 2374 1 1 39 GLU HA H 1.107 11.303 6.929 1.00 . A A . 39 GLU HA 1 1 3 2375 1 1 39 GLU HB2 H 1.934 10.550 9.111 1.00 . A A . 39 GLU HB2 1 1 3 2376 1 1 39 GLU HB3 H 3.291 9.778 8.318 1.00 . A A . 39 GLU HB3 1 1 3 2377 1 1 39 GLU HG2 H 4.094 11.984 7.588 1.00 . A A . 39 GLU HG2 1 1 3 2378 1 1 39 GLU HG3 H 2.766 12.741 8.481 1.00 . A A . 39 GLU HG3 1 1 3 2379 1 1 39 GLU N N 1.132 9.217 7.005 1.00 . A A . 39 GLU N 1 1 3 2380 1 1 39 GLU O O 2.803 11.451 5.020 1.00 . A A . 39 GLU O 1 1 3 2381 1 1 39 GLU OE1 O 3.740 12.114 10.777 1.00 . A A . 39 GLU OE1 1 1 3 2382 1 1 39 GLU OE2 O 5.483 11.543 9.580 1.00 . A A . 39 GLU OE2 1 1 3 2383 1 1 40 MET C C 4.134 9.307 3.281 1.00 . A A . 40 MET C 1 1 3 2384 1 1 40 MET CA C 4.647 9.408 4.696 1.00 . A A . 40 MET CA 1 1 3 2385 1 1 40 MET CB C 5.532 8.199 4.977 1.00 . A A . 40 MET CB 1 1 3 2386 1 1 40 MET CE C 8.320 6.732 5.270 1.00 . A A . 40 MET CE 1 1 3 2387 1 1 40 MET CG C 6.214 8.208 6.332 1.00 . A A . 40 MET CG 1 1 3 2388 1 1 40 MET H H 3.262 8.693 6.180 1.00 . A A . 40 MET H 1 1 3 2389 1 1 40 MET HA H 5.252 10.295 4.796 1.00 . A A . 40 MET HA 1 1 3 2390 1 1 40 MET HB2 H 4.933 7.305 4.923 1.00 . A A . 40 MET HB2 1 1 3 2391 1 1 40 MET HB3 H 6.288 8.161 4.208 1.00 . A A . 40 MET HB3 1 1 3 2392 1 1 40 MET HE1 H 8.903 7.640 5.336 1.00 . A A . 40 MET HE1 1 1 3 2393 1 1 40 MET HE2 H 7.799 6.708 4.325 1.00 . A A . 40 MET HE2 1 1 3 2394 1 1 40 MET HE3 H 8.981 5.883 5.340 1.00 . A A . 40 MET HE3 1 1 3 2395 1 1 40 MET HG2 H 6.889 9.049 6.387 1.00 . A A . 40 MET HG2 1 1 3 2396 1 1 40 MET HG3 H 5.459 8.308 7.099 1.00 . A A . 40 MET HG3 1 1 3 2397 1 1 40 MET N N 3.559 9.469 5.662 1.00 . A A . 40 MET N 1 1 3 2398 1 1 40 MET O O 4.537 10.071 2.423 1.00 . A A . 40 MET O 1 1 3 2399 1 1 40 MET SD S 7.139 6.687 6.630 1.00 . A A . 40 MET SD 1 1 3 2400 1 1 41 ALA C C 1.799 9.195 1.191 1.00 . A A . 41 ALA C 1 1 3 2401 1 1 41 ALA CA C 2.700 8.094 1.726 1.00 . A A . 41 ALA CA 1 1 3 2402 1 1 41 ALA CB C 1.963 6.798 1.722 1.00 . A A . 41 ALA CB 1 1 3 2403 1 1 41 ALA H H 2.872 7.837 3.807 1.00 . A A . 41 ALA H 1 1 3 2404 1 1 41 ALA HA H 3.548 7.993 1.062 1.00 . A A . 41 ALA HA 1 1 3 2405 1 1 41 ALA HB1 H 2.599 5.948 1.957 1.00 . A A . 41 ALA HB1 1 1 3 2406 1 1 41 ALA HB2 H 1.473 6.669 0.771 1.00 . A A . 41 ALA HB2 1 1 3 2407 1 1 41 ALA HB3 H 1.222 6.919 2.499 1.00 . A A . 41 ALA HB3 1 1 3 2408 1 1 41 ALA N N 3.218 8.377 3.061 1.00 . A A . 41 ALA N 1 1 3 2409 1 1 41 ALA O O 1.669 9.348 -0.006 1.00 . A A . 41 ALA O 1 1 3 2410 1 1 42 GLU C C 1.126 12.261 1.381 1.00 . A A . 42 GLU C 1 1 3 2411 1 1 42 GLU CA C 0.303 10.999 1.561 1.00 . A A . 42 GLU CA 1 1 3 2412 1 1 42 GLU CB C -0.865 11.273 2.508 1.00 . A A . 42 GLU CB 1 1 3 2413 1 1 42 GLU CD C -2.981 10.504 3.602 1.00 . A A . 42 GLU CD 1 1 3 2414 1 1 42 GLU CG C -1.884 10.154 2.626 1.00 . A A . 42 GLU CG 1 1 3 2415 1 1 42 GLU H H 1.207 9.830 3.023 1.00 . A A . 42 GLU H 1 1 3 2416 1 1 42 GLU HA H -0.083 10.671 0.608 1.00 . A A . 42 GLU HA 1 1 3 2417 1 1 42 GLU HB2 H -0.450 11.426 3.492 1.00 . A A . 42 GLU HB2 1 1 3 2418 1 1 42 GLU HB3 H -1.372 12.168 2.183 1.00 . A A . 42 GLU HB3 1 1 3 2419 1 1 42 GLU HG2 H -2.324 9.965 1.656 1.00 . A A . 42 GLU HG2 1 1 3 2420 1 1 42 GLU HG3 H -1.393 9.256 2.975 1.00 . A A . 42 GLU HG3 1 1 3 2421 1 1 42 GLU N N 1.144 9.930 2.051 1.00 . A A . 42 GLU N 1 1 3 2422 1 1 42 GLU O O 0.819 13.115 0.543 1.00 . A A . 42 GLU O 1 1 3 2423 1 1 42 GLU OE1 O -3.885 11.289 3.247 1.00 . A A . 42 GLU OE1 1 1 3 2424 1 1 42 GLU OE2 O -2.952 10.017 4.746 1.00 . A A . 42 GLU OE2 1 1 3 2425 1 1 43 ASN C C 3.965 13.638 0.942 1.00 . A A . 43 ASN C 1 1 3 2426 1 1 43 ASN CA C 3.027 13.576 2.142 1.00 . A A . 43 ASN CA 1 1 3 2427 1 1 43 ASN CB C 3.823 13.729 3.461 1.00 . A A . 43 ASN CB 1 1 3 2428 1 1 43 ASN CG C 4.521 15.086 3.621 1.00 . A A . 43 ASN CG 1 1 3 2429 1 1 43 ASN H H 2.346 11.556 2.708 1.00 . A A . 43 ASN H 1 1 3 2430 1 1 43 ASN HA H 2.344 14.407 2.062 1.00 . A A . 43 ASN HA 1 1 3 2431 1 1 43 ASN HB2 H 3.181 13.561 4.313 1.00 . A A . 43 ASN HB2 1 1 3 2432 1 1 43 ASN HB3 H 4.588 12.966 3.421 1.00 . A A . 43 ASN HB3 1 1 3 2433 1 1 43 ASN HD21 H 6.250 14.362 2.963 1.00 . A A . 43 ASN HD21 1 1 3 2434 1 1 43 ASN HD22 H 6.249 16.015 3.382 1.00 . A A . 43 ASN HD22 1 1 3 2435 1 1 43 ASN N N 2.194 12.355 2.145 1.00 . A A . 43 ASN N 1 1 3 2436 1 1 43 ASN ND2 N 5.784 15.158 3.296 1.00 . A A . 43 ASN ND2 1 1 3 2437 1 1 43 ASN O O 3.983 14.630 0.215 1.00 . A A . 43 ASN O 1 1 3 2438 1 1 43 ASN OD1 O 3.919 16.053 4.099 1.00 . A A . 43 ASN OD1 1 1 3 2439 1 1 44 GLU C C 5.810 11.208 -1.019 1.00 . A A . 44 GLU C 1 1 3 2440 1 1 44 GLU CA C 5.718 12.534 -0.330 1.00 . A A . 44 GLU CA 1 1 3 2441 1 1 44 GLU CB C 7.083 12.900 0.216 1.00 . A A . 44 GLU CB 1 1 3 2442 1 1 44 GLU CD C 8.540 14.653 1.164 1.00 . A A . 44 GLU CD 1 1 3 2443 1 1 44 GLU CG C 7.215 14.338 0.570 1.00 . A A . 44 GLU CG 1 1 3 2444 1 1 44 GLU H H 4.477 11.763 1.214 1.00 . A A . 44 GLU H 1 1 3 2445 1 1 44 GLU HA H 5.442 13.286 -1.050 1.00 . A A . 44 GLU HA 1 1 3 2446 1 1 44 GLU HB2 H 7.280 12.302 1.094 1.00 . A A . 44 GLU HB2 1 1 3 2447 1 1 44 GLU HB3 H 7.824 12.661 -0.532 1.00 . A A . 44 GLU HB3 1 1 3 2448 1 1 44 GLU HG2 H 7.052 14.900 -0.334 1.00 . A A . 44 GLU HG2 1 1 3 2449 1 1 44 GLU HG3 H 6.433 14.591 1.268 1.00 . A A . 44 GLU HG3 1 1 3 2450 1 1 44 GLU N N 4.697 12.569 0.710 1.00 . A A . 44 GLU N 1 1 3 2451 1 1 44 GLU O O 5.139 10.249 -0.622 1.00 . A A . 44 GLU O 1 1 3 2452 1 1 44 GLU OE1 O 9.546 14.720 0.417 1.00 . A A . 44 GLU OE1 1 1 3 2453 1 1 44 GLU OE2 O 8.606 14.817 2.378 1.00 . A A . 44 GLU OE2 1 1 3 2454 1 1 45 ASP C C 7.277 8.842 -1.977 1.00 . A A . 45 ASP C 1 1 3 2455 1 1 45 ASP CA C 6.961 10.002 -2.863 1.00 . A A . 45 ASP CA 1 1 3 2456 1 1 45 ASP CB C 8.216 10.264 -3.722 1.00 . A A . 45 ASP CB 1 1 3 2457 1 1 45 ASP CG C 8.162 11.542 -4.506 1.00 . A A . 45 ASP CG 1 1 3 2458 1 1 45 ASP H H 7.187 11.965 -2.311 1.00 . A A . 45 ASP H 1 1 3 2459 1 1 45 ASP HA H 6.134 9.787 -3.519 1.00 . A A . 45 ASP HA 1 1 3 2460 1 1 45 ASP HB2 H 9.083 10.322 -3.081 1.00 . A A . 45 ASP HB2 1 1 3 2461 1 1 45 ASP HB3 H 8.349 9.443 -4.410 1.00 . A A . 45 ASP HB3 1 1 3 2462 1 1 45 ASP N N 6.676 11.172 -2.046 1.00 . A A . 45 ASP N 1 1 3 2463 1 1 45 ASP O O 8.131 8.953 -1.075 1.00 . A A . 45 ASP O 1 1 3 2464 1 1 45 ASP OD1 O 8.526 12.599 -3.938 1.00 . A A . 45 ASP OD1 1 1 3 2465 1 1 45 ASP OD2 O 7.803 11.513 -5.693 1.00 . A A . 45 ASP OD2 1 1 3 2466 1 1 46 TYR C C 7.732 5.589 -2.116 1.00 . A A . 46 TYR C 1 1 3 2467 1 1 46 TYR CA C 6.941 6.622 -1.384 1.00 . A A . 46 TYR CA 1 1 3 2468 1 1 46 TYR CB C 5.760 6.052 -0.603 1.00 . A A . 46 TYR CB 1 1 3 2469 1 1 46 TYR CD1 C 7.062 5.154 1.371 1.00 . A A . 46 TYR CD1 1 1 3 2470 1 1 46 TYR CD2 C 5.927 3.641 -0.034 1.00 . A A . 46 TYR CD2 1 1 3 2471 1 1 46 TYR CE1 C 7.552 4.106 2.127 1.00 . A A . 46 TYR CE1 1 1 3 2472 1 1 46 TYR CE2 C 6.413 2.581 0.691 1.00 . A A . 46 TYR CE2 1 1 3 2473 1 1 46 TYR CG C 6.234 4.922 0.278 1.00 . A A . 46 TYR CG 1 1 3 2474 1 1 46 TYR CZ C 7.219 2.814 1.776 1.00 . A A . 46 TYR CZ 1 1 3 2475 1 1 46 TYR H H 6.068 7.674 -2.996 1.00 . A A . 46 TYR H 1 1 3 2476 1 1 46 TYR HA H 7.654 6.998 -0.667 1.00 . A A . 46 TYR HA 1 1 3 2477 1 1 46 TYR HB2 H 5.329 6.818 0.025 1.00 . A A . 46 TYR HB2 1 1 3 2478 1 1 46 TYR HB3 H 5.027 5.652 -1.285 1.00 . A A . 46 TYR HB3 1 1 3 2479 1 1 46 TYR HD1 H 7.300 6.175 1.625 1.00 . A A . 46 TYR HD1 1 1 3 2480 1 1 46 TYR HD2 H 5.278 3.532 -0.880 1.00 . A A . 46 TYR HD2 1 1 3 2481 1 1 46 TYR HE1 H 8.188 4.296 2.979 1.00 . A A . 46 TYR HE1 1 1 3 2482 1 1 46 TYR HE2 H 6.148 1.572 0.423 1.00 . A A . 46 TYR HE2 1 1 3 2483 1 1 46 TYR HH H 7.572 1.838 3.432 1.00 . A A . 46 TYR HH 1 1 3 2484 1 1 46 TYR N N 6.662 7.733 -2.210 1.00 . A A . 46 TYR N 1 1 3 2485 1 1 46 TYR O O 7.297 5.009 -3.105 1.00 . A A . 46 TYR O 1 1 3 2486 1 1 46 TYR OH O 7.718 1.750 2.484 1.00 . A A . 46 TYR OH 1 1 3 2487 1 1 47 ILE C C 10.135 3.356 -1.345 1.00 . A A . 47 ILE C 1 1 3 2488 1 1 47 ILE CA C 9.826 4.522 -2.238 1.00 . A A . 47 ILE CA 1 1 3 2489 1 1 47 ILE CB C 11.042 5.314 -2.666 1.00 . A A . 47 ILE CB 1 1 3 2490 1 1 47 ILE CD1 C 11.471 7.322 -4.114 1.00 . A A . 47 ILE CD1 1 1 3 2491 1 1 47 ILE CG1 C 10.508 6.361 -3.632 1.00 . A A . 47 ILE CG1 1 1 3 2492 1 1 47 ILE CG2 C 12.087 4.410 -3.322 1.00 . A A . 47 ILE CG2 1 1 3 2493 1 1 47 ILE H H 8.964 5.918 -0.806 1.00 . A A . 47 ILE H 1 1 3 2494 1 1 47 ILE HA H 9.338 4.172 -3.139 1.00 . A A . 47 ILE HA 1 1 3 2495 1 1 47 ILE HB H 11.472 5.828 -1.820 1.00 . A A . 47 ILE HB 1 1 3 2496 1 1 47 ILE HD11 H 10.887 7.966 -4.751 1.00 . A A . 47 ILE HD11 1 1 3 2497 1 1 47 ILE HD12 H 12.213 6.773 -4.669 1.00 . A A . 47 ILE HD12 1 1 3 2498 1 1 47 ILE HD13 H 11.834 7.819 -3.227 1.00 . A A . 47 ILE HD13 1 1 3 2499 1 1 47 ILE HG12 H 10.077 5.877 -4.492 1.00 . A A . 47 ILE HG12 1 1 3 2500 1 1 47 ILE HG13 H 9.726 6.912 -3.131 1.00 . A A . 47 ILE HG13 1 1 3 2501 1 1 47 ILE HG21 H 12.469 3.717 -2.585 1.00 . A A . 47 ILE HG21 1 1 3 2502 1 1 47 ILE HG22 H 12.893 5.008 -3.718 1.00 . A A . 47 ILE HG22 1 1 3 2503 1 1 47 ILE HG23 H 11.619 3.850 -4.119 1.00 . A A . 47 ILE HG23 1 1 3 2504 1 1 47 ILE N N 8.901 5.388 -1.628 1.00 . A A . 47 ILE N 1 1 3 2505 1 1 47 ILE O O 10.770 3.496 -0.309 1.00 . A A . 47 ILE O 1 1 3 2506 1 1 48 CYS C C 11.220 0.573 -0.897 1.00 . A A . 48 CYS C 1 1 3 2507 1 1 48 CYS CA C 9.745 0.985 -0.987 1.00 . A A . 48 CYS CA 1 1 3 2508 1 1 48 CYS CB C 8.925 -0.150 -1.643 1.00 . A A . 48 CYS CB 1 1 3 2509 1 1 48 CYS H H 9.128 2.214 -2.594 1.00 . A A . 48 CYS H 1 1 3 2510 1 1 48 CYS HA H 9.367 1.161 0.009 1.00 . A A . 48 CYS HA 1 1 3 2511 1 1 48 CYS HB2 H 8.780 -0.916 -0.896 1.00 . A A . 48 CYS HB2 1 1 3 2512 1 1 48 CYS HB3 H 7.949 0.214 -1.929 1.00 . A A . 48 CYS HB3 1 1 3 2513 1 1 48 CYS N N 9.622 2.205 -1.749 1.00 . A A . 48 CYS N 1 1 3 2514 1 1 48 CYS O O 12.046 1.021 -1.710 1.00 . A A . 48 CYS O 1 1 3 2515 1 1 48 CYS SG S 9.706 -0.959 -3.095 1.00 . A A . 48 CYS SG 1 1 3 2516 1 1 49 ILE C C 13.511 -1.504 -0.887 1.00 . A A . 49 ILE C 1 1 3 2517 1 1 49 ILE CA C 12.909 -0.739 0.263 1.00 . A A . 49 ILE CA 1 1 3 2518 1 1 49 ILE CB C 13.022 -1.460 1.587 1.00 . A A . 49 ILE CB 1 1 3 2519 1 1 49 ILE CD1 C 12.744 -3.951 1.001 1.00 . A A . 49 ILE CD1 1 1 3 2520 1 1 49 ILE CG1 C 12.193 -2.708 1.684 1.00 . A A . 49 ILE CG1 1 1 3 2521 1 1 49 ILE CG2 C 12.577 -0.522 2.644 1.00 . A A . 49 ILE CG2 1 1 3 2522 1 1 49 ILE H H 10.861 -0.761 0.580 1.00 . A A . 49 ILE H 1 1 3 2523 1 1 49 ILE HA H 13.450 0.180 0.372 1.00 . A A . 49 ILE HA 1 1 3 2524 1 1 49 ILE HB H 14.061 -1.694 1.744 1.00 . A A . 49 ILE HB 1 1 3 2525 1 1 49 ILE HD11 H 12.046 -4.766 1.141 1.00 . A A . 49 ILE HD11 1 1 3 2526 1 1 49 ILE HD12 H 13.695 -4.204 1.443 1.00 . A A . 49 ILE HD12 1 1 3 2527 1 1 49 ILE HD13 H 12.869 -3.761 -0.055 1.00 . A A . 49 ILE HD13 1 1 3 2528 1 1 49 ILE HG12 H 12.248 -2.788 2.749 1.00 . A A . 49 ILE HG12 1 1 3 2529 1 1 49 ILE HG13 H 11.173 -2.502 1.392 1.00 . A A . 49 ILE HG13 1 1 3 2530 1 1 49 ILE HG21 H 12.590 -1.012 3.605 1.00 . A A . 49 ILE HG21 1 1 3 2531 1 1 49 ILE HG22 H 11.573 -0.278 2.329 1.00 . A A . 49 ILE HG22 1 1 3 2532 1 1 49 ILE HG23 H 13.204 0.356 2.621 1.00 . A A . 49 ILE HG23 1 1 3 2533 1 1 49 ILE N N 11.538 -0.324 0.024 1.00 . A A . 49 ILE N 1 1 3 2534 1 1 49 ILE O O 14.722 -1.616 -1.027 1.00 . A A . 49 ILE O 1 1 3 2535 1 1 50 ASN C C 13.592 -1.703 -3.974 1.00 . A A . 50 ASN C 1 1 3 2536 1 1 50 ASN CA C 13.037 -2.694 -2.948 1.00 . A A . 50 ASN CA 1 1 3 2537 1 1 50 ASN CB C 11.855 -3.475 -3.579 1.00 . A A . 50 ASN CB 1 1 3 2538 1 1 50 ASN CG C 11.263 -4.568 -2.700 1.00 . A A . 50 ASN CG 1 1 3 2539 1 1 50 ASN H H 11.717 -1.799 -1.456 1.00 . A A . 50 ASN H 1 1 3 2540 1 1 50 ASN HA H 13.822 -3.383 -2.676 1.00 . A A . 50 ASN HA 1 1 3 2541 1 1 50 ASN HB2 H 11.065 -2.780 -3.830 1.00 . A A . 50 ASN HB2 1 1 3 2542 1 1 50 ASN HB3 H 12.210 -3.917 -4.493 1.00 . A A . 50 ASN HB3 1 1 3 2543 1 1 50 ASN HD21 H 9.493 -4.372 -3.573 1.00 . A A . 50 ASN HD21 1 1 3 2544 1 1 50 ASN HD22 H 9.634 -5.579 -2.334 1.00 . A A . 50 ASN HD22 1 1 3 2545 1 1 50 ASN N N 12.640 -1.978 -1.733 1.00 . A A . 50 ASN N 1 1 3 2546 1 1 50 ASN ND2 N 9.997 -4.859 -2.888 1.00 . A A . 50 ASN ND2 1 1 3 2547 1 1 50 ASN O O 14.454 -2.040 -4.773 1.00 . A A . 50 ASN O 1 1 3 2548 1 1 50 ASN OD1 O 11.935 -5.152 -1.883 1.00 . A A . 50 ASN OD1 1 1 3 2549 1 1 51 CYS C C 14.543 1.521 -4.177 1.00 . A A . 51 CYS C 1 1 3 2550 1 1 51 CYS CA C 13.528 0.581 -4.850 1.00 . A A . 51 CYS CA 1 1 3 2551 1 1 51 CYS CB C 12.296 1.373 -5.367 1.00 . A A . 51 CYS CB 1 1 3 2552 1 1 51 CYS H H 12.448 -0.262 -3.218 1.00 . A A . 51 CYS H 1 1 3 2553 1 1 51 CYS HA H 14.006 0.092 -5.687 1.00 . A A . 51 CYS HA 1 1 3 2554 1 1 51 CYS HB2 H 11.751 1.757 -4.515 1.00 . A A . 51 CYS HB2 1 1 3 2555 1 1 51 CYS HB3 H 12.573 2.204 -6.005 1.00 . A A . 51 CYS HB3 1 1 3 2556 1 1 51 CYS N N 13.102 -0.467 -3.920 1.00 . A A . 51 CYS N 1 1 3 2557 1 1 51 CYS O O 15.130 2.395 -4.820 1.00 . A A . 51 CYS O 1 1 3 2558 1 1 51 CYS SG S 11.121 0.375 -6.302 1.00 . A A . 51 CYS SG 1 1 3 2559 1 1 52 ALA C C 17.103 2.052 -2.606 1.00 . A A . 52 ALA C 1 1 3 2560 1 1 52 ALA CA C 15.663 2.147 -2.090 1.00 . A A . 52 ALA CA 1 1 3 2561 1 1 52 ALA CB C 15.605 1.755 -0.624 1.00 . A A . 52 ALA CB 1 1 3 2562 1 1 52 ALA H H 14.236 0.585 -2.479 1.00 . A A . 52 ALA H 1 1 3 2563 1 1 52 ALA HA H 15.326 3.171 -2.184 1.00 . A A . 52 ALA HA 1 1 3 2564 1 1 52 ALA HB1 H 14.592 1.861 -0.266 1.00 . A A . 52 ALA HB1 1 1 3 2565 1 1 52 ALA HB2 H 16.252 2.399 -0.049 1.00 . A A . 52 ALA HB2 1 1 3 2566 1 1 52 ALA HB3 H 15.919 0.729 -0.504 1.00 . A A . 52 ALA HB3 1 1 3 2567 1 1 52 ALA N N 14.742 1.320 -2.886 1.00 . A A . 52 ALA N 1 1 3 2568 2 2 1 ALA C C 1.289 9.219 -3.823 1.00 . B B . 301 ALA C 1 1 3 2569 2 2 1 ALA CA C 2.738 9.364 -3.371 1.00 . B B . 301 ALA CA 1 1 3 2570 2 2 1 ALA CB C 3.108 8.191 -2.461 1.00 . B B . 301 ALA CB 1 1 3 2571 2 2 1 ALA HA H 3.376 9.337 -4.243 1.00 . B B . 301 ALA HA 1 1 3 2572 2 2 1 ALA HB1 H 2.941 7.272 -3.011 1.00 . B B . 301 ALA HB1 1 1 3 2573 2 2 1 ALA HB2 H 2.452 8.194 -1.603 1.00 . B B . 301 ALA HB2 1 1 3 2574 2 2 1 ALA HB3 H 4.139 8.270 -2.142 1.00 . B B . 301 ALA HB3 1 1 3 2575 2 2 1 ALA N N 2.951 10.676 -2.682 1.00 . B B . 301 ALA N 1 1 3 2576 2 2 1 ALA O O 0.482 10.161 -3.742 1.00 . B B . 301 ALA O 1 1 3 2577 2 2 2 ARG C C -0.976 6.707 -3.812 1.00 . B B . 302 ARG C 1 1 3 2578 2 2 2 ARG CA C -0.361 7.735 -4.759 1.00 . B B . 302 ARG CA 1 1 3 2579 2 2 2 ARG CB C -0.267 7.202 -6.195 1.00 . B B . 302 ARG CB 1 1 3 2580 2 2 2 ARG CD C 0.609 7.666 -8.541 1.00 . B B . 302 ARG CD 1 1 3 2581 2 2 2 ARG CG C 0.261 8.250 -7.179 1.00 . B B . 302 ARG CG 1 1 3 2582 2 2 2 ARG CZ C 2.591 6.427 -9.474 1.00 . B B . 302 ARG CZ 1 1 3 2583 2 2 2 ARG H H 1.661 7.363 -4.313 1.00 . B B . 302 ARG H 1 1 3 2584 2 2 2 ARG HA H -0.955 8.638 -4.752 1.00 . B B . 302 ARG HA 1 1 3 2585 2 2 2 ARG HB2 H 0.404 6.356 -6.209 1.00 . B B . 302 ARG HB2 1 1 3 2586 2 2 2 ARG HB3 H -1.252 6.899 -6.523 1.00 . B B . 302 ARG HB3 1 1 3 2587 2 2 2 ARG HD2 H -0.251 7.145 -8.939 1.00 . B B . 302 ARG HD2 1 1 3 2588 2 2 2 ARG HD3 H 0.875 8.472 -9.211 1.00 . B B . 302 ARG HD3 1 1 3 2589 2 2 2 ARG HE H 1.867 6.290 -7.591 1.00 . B B . 302 ARG HE 1 1 3 2590 2 2 2 ARG HG2 H -0.504 8.999 -7.317 1.00 . B B . 302 ARG HG2 1 1 3 2591 2 2 2 ARG HG3 H 1.140 8.710 -6.752 1.00 . B B . 302 ARG HG3 1 1 3 2592 2 2 2 ARG HH11 H 1.796 7.767 -10.796 1.00 . B B . 302 ARG HH11 1 1 3 2593 2 2 2 ARG HH12 H 3.082 6.865 -11.428 1.00 . B B . 302 ARG HH12 1 1 3 2594 2 2 2 ARG HH21 H 3.706 5.054 -8.421 1.00 . B B . 302 ARG HH21 1 1 3 2595 2 2 2 ARG HH22 H 4.198 5.256 -10.031 1.00 . B B . 302 ARG HH22 1 1 3 2596 2 2 2 ARG N N 0.961 8.052 -4.296 1.00 . B B . 302 ARG N 1 1 3 2597 2 2 2 ARG NE N 1.750 6.728 -8.459 1.00 . B B . 302 ARG NE 1 1 3 2598 2 2 2 ARG NH1 N 2.488 7.063 -10.641 1.00 . B B . 302 ARG NH1 1 1 3 2599 2 2 2 ARG NH2 N 3.556 5.530 -9.290 1.00 . B B . 302 ARG NH2 1 1 3 2600 2 2 2 ARG O O -0.536 5.570 -3.756 1.00 . B B . 302 ARG O 1 1 3 2601 2 2 3 THR C C -3.971 5.854 -2.484 1.00 . B B . 303 THR C 1 1 3 2602 2 2 3 THR CA C -2.566 6.258 -2.060 1.00 . B B . 303 THR CA 1 1 3 2603 2 2 3 THR CB C -2.560 6.900 -0.681 1.00 . B B . 303 THR CB 1 1 3 2604 2 2 3 THR CG2 C -1.165 6.853 -0.124 1.00 . B B . 303 THR CG2 1 1 3 2605 2 2 3 THR H H -2.266 8.047 -3.050 1.00 . B B . 303 THR H 1 1 3 2606 2 2 3 THR HA H -1.960 5.359 -2.014 1.00 . B B . 303 THR HA 1 1 3 2607 2 2 3 THR HB H -3.223 6.351 -0.025 1.00 . B B . 303 THR HB 1 1 3 2608 2 2 3 THR HG1 H -3.382 8.550 0.053 1.00 . B B . 303 THR HG1 1 1 3 2609 2 2 3 THR HG21 H -0.882 5.809 -0.117 1.00 . B B . 303 THR HG21 1 1 3 2610 2 2 3 THR HG22 H -1.119 7.280 0.868 1.00 . B B . 303 THR HG22 1 1 3 2611 2 2 3 THR HG23 H -0.525 7.399 -0.803 1.00 . B B . 303 THR HG23 1 1 3 2612 2 2 3 THR N N -1.933 7.127 -3.027 1.00 . B B . 303 THR N 1 1 3 2613 2 2 3 THR O O -4.537 6.438 -3.424 1.00 . B B . 303 THR O 1 1 3 2614 2 2 3 THR OG1 O -3.007 8.265 -0.786 1.00 . B B . 303 THR OG1 1 1 3 2615 2 2 4 . C C -6.505 3.618 -1.080 1.00 . B B . 304 M3L C 1 1 3 2616 2 2 4 . CA C -5.784 4.287 -2.232 1.00 . B B . 304 M3L CA 1 1 3 2617 2 2 4 . CB C -5.388 3.253 -3.239 1.00 . B B . 304 M3L CB 1 1 3 2618 2 2 4 . CD C -5.743 1.738 -5.062 1.00 . B B . 304 M3L CD 1 1 3 2619 2 2 4 . CE C -6.644 0.762 -5.741 1.00 . B B . 304 M3L CE 1 1 3 2620 2 2 4 . CG C -6.421 2.479 -3.956 1.00 . B B . 304 M3L CG 1 1 3 2621 2 2 4 . CM1 C -4.773 -0.657 -6.512 1.00 . B B . 304 M3L CM1 1 1 3 2622 2 2 4 . CM2 C -5.631 1.123 -7.924 1.00 . B B . 304 M3L CM2 1 1 3 2623 2 2 4 . CM3 C -6.897 -0.914 -7.520 1.00 . B B . 304 M3L CM3 1 1 3 2624 2 2 4 . H H -4.109 4.510 -0.990 1.00 . B B . 304 M3L H 1 1 3 2625 2 2 4 . HA H -6.403 5.019 -2.727 1.00 . B B . 304 M3L HA 1 1 3 2626 2 2 4 . HB2 H -4.916 2.558 -2.571 1.00 . B B . 304 M3L HB2 1 1 3 2627 2 2 4 . HB3 H -4.633 3.571 -3.927 1.00 . B B . 304 M3L HB3 1 1 3 2628 2 2 4 . HD2 H -4.893 1.210 -4.654 1.00 . B B . 304 M3L HD2 1 1 3 2629 2 2 4 . HD3 H -5.399 2.452 -5.794 1.00 . B B . 304 M3L HD3 1 1 3 2630 2 2 4 . HE2 H -7.568 1.237 -6.030 1.00 . B B . 304 M3L HE2 1 1 3 2631 2 2 4 . HE3 H -6.797 0.059 -4.944 1.00 . B B . 304 M3L HE3 1 1 3 2632 2 2 4 . HG2 H -7.199 3.115 -4.349 1.00 . B B . 304 M3L HG2 1 1 3 2633 2 2 4 . HG3 H -6.798 1.751 -3.251 1.00 . B B . 304 M3L HG3 1 1 3 2634 2 2 4 . HM11 H -4.031 0.003 -6.081 1.00 . B B . 304 M3L HM11 1 1 3 2635 2 2 4 . HM12 H -4.267 -1.115 -7.350 1.00 . B B . 304 M3L HM12 1 1 3 2636 2 2 4 . HM13 H -4.946 -1.445 -5.790 1.00 . B B . 304 M3L HM13 1 1 3 2637 2 2 4 . HM21 H -5.633 0.744 -8.932 1.00 . B B . 304 M3L HM21 1 1 3 2638 2 2 4 . HM22 H -4.652 1.540 -7.746 1.00 . B B . 304 M3L HM22 1 1 3 2639 2 2 4 . HM23 H -6.314 1.960 -7.904 1.00 . B B . 304 M3L HM23 1 1 3 2640 2 2 4 . HM31 H -6.389 -1.617 -8.162 1.00 . B B . 304 M3L HM31 1 1 3 2641 2 2 4 . HM32 H -7.660 -0.449 -8.125 1.00 . B B . 304 M3L HM32 1 1 3 2642 2 2 4 . HM33 H -7.427 -1.499 -6.783 1.00 . B B . 304 M3L HM33 1 1 3 2643 2 2 4 . N N -4.536 4.872 -1.799 1.00 . B B . 304 M3L N 1 1 3 2644 2 2 4 . NZ N -5.983 0.077 -6.921 1.00 . B B . 304 M3L NZ 1 1 3 2645 2 2 4 . O O -5.915 3.362 -0.019 1.00 . B B . 304 M3L O 1 1 3 2646 2 2 5 GLN C C -9.607 1.836 -1.251 1.00 . B B . 305 GLN C 1 1 3 2647 2 2 5 GLN CA C -8.641 2.657 -0.414 1.00 . B B . 305 GLN CA 1 1 3 2648 2 2 5 GLN CB C -9.430 3.675 0.432 1.00 . B B . 305 GLN CB 1 1 3 2649 2 2 5 GLN CD C -11.320 4.088 2.071 1.00 . B B . 305 GLN CD 1 1 3 2650 2 2 5 GLN CG C -10.488 3.052 1.342 1.00 . B B . 305 GLN CG 1 1 3 2651 2 2 5 GLN H H -8.138 3.588 -2.191 1.00 . B B . 305 GLN H 1 1 3 2652 2 2 5 GLN HA H -8.062 2.014 0.232 1.00 . B B . 305 GLN HA 1 1 3 2653 2 2 5 GLN HB2 H -8.748 4.244 1.045 1.00 . B B . 305 GLN HB2 1 1 3 2654 2 2 5 GLN HB3 H -9.930 4.355 -0.241 1.00 . B B . 305 GLN HB3 1 1 3 2655 2 2 5 GLN HE21 H -12.625 4.183 0.552 1.00 . B B . 305 GLN HE21 1 1 3 2656 2 2 5 GLN HE22 H -12.929 5.201 1.919 1.00 . B B . 305 GLN HE22 1 1 3 2657 2 2 5 GLN HG2 H -11.149 2.446 0.737 1.00 . B B . 305 GLN HG2 1 1 3 2658 2 2 5 GLN HG3 H -10.000 2.415 2.064 1.00 . B B . 305 GLN HG3 1 1 3 2659 2 2 5 GLN N N -7.764 3.336 -1.320 1.00 . B B . 305 GLN N 1 1 3 2660 2 2 5 GLN NE2 N -12.402 4.528 1.444 1.00 . B B . 305 GLN NE2 1 1 3 2661 2 2 5 GLN O O -10.448 2.402 -1.960 1.00 . B B . 305 GLN O 1 1 3 2662 2 2 5 GLN OE1 O -10.993 4.500 3.180 1.00 . B B . 305 GLN OE1 1 1 3 2663 2 2 6 THR C C -11.498 -0.712 -1.040 1.00 . B B . 306 THR C 1 1 3 2664 2 2 6 THR CA C -10.366 -0.321 -1.953 1.00 . B B . 306 THR CA 1 1 3 2665 2 2 6 THR CB C -9.659 -1.586 -2.469 1.00 . B B . 306 THR CB 1 1 3 2666 2 2 6 THR CG2 C -8.629 -1.250 -3.561 1.00 . B B . 306 THR CG2 1 1 3 2667 2 2 6 THR H H -8.739 0.142 -0.693 1.00 . B B . 306 THR H 1 1 3 2668 2 2 6 THR HA H -10.777 0.227 -2.790 1.00 . B B . 306 THR HA 1 1 3 2669 2 2 6 THR HB H -10.415 -2.242 -2.876 1.00 . B B . 306 THR HB 1 1 3 2670 2 2 6 THR HG1 H -9.639 -2.209 -0.624 1.00 . B B . 306 THR HG1 1 1 3 2671 2 2 6 THR HG21 H -9.094 -0.742 -4.390 1.00 . B B . 306 THR HG21 1 1 3 2672 2 2 6 THR HG22 H -8.138 -2.149 -3.911 1.00 . B B . 306 THR HG22 1 1 3 2673 2 2 6 THR HG23 H -7.842 -0.632 -3.142 1.00 . B B . 306 THR HG23 1 1 3 2674 2 2 6 THR N N -9.463 0.539 -1.224 1.00 . B B . 306 THR N 1 1 3 2675 2 2 6 THR O O -11.278 -0.931 0.162 1.00 . B B . 306 THR O 1 1 3 2676 2 2 6 THR OG1 O -9.017 -2.248 -1.362 1.00 . B B . 306 THR OG1 1 1 3 2677 2 2 7 ALA C C -14.448 -2.450 -1.123 1.00 . B B . 307 ALA C 1 1 3 2678 2 2 7 ALA CA C -13.836 -1.106 -0.776 1.00 . B B . 307 ALA CA 1 1 3 2679 2 2 7 ALA CB C -14.869 0.005 -0.888 1.00 . B B . 307 ALA CB 1 1 3 2680 2 2 7 ALA H H -12.824 -0.683 -2.538 1.00 . B B . 307 ALA H 1 1 3 2681 2 2 7 ALA HA H -13.509 -1.143 0.253 1.00 . B B . 307 ALA HA 1 1 3 2682 2 2 7 ALA HB1 H -15.262 0.036 -1.894 1.00 . B B . 307 ALA HB1 1 1 3 2683 2 2 7 ALA HB2 H -14.399 0.944 -0.646 1.00 . B B . 307 ALA HB2 1 1 3 2684 2 2 7 ALA HB3 H -15.665 -0.183 -0.187 1.00 . B B . 307 ALA HB3 1 1 3 2685 2 2 7 ALA N N -12.687 -0.803 -1.575 1.00 . B B . 307 ALA N 1 1 3 2686 2 2 7 ALA O O -15.012 -2.641 -2.203 1.00 . B B . 307 ALA O 1 1 3 2687 2 2 8 ARG C C -16.237 -4.509 0.541 1.00 . B B . 308 ARG C 1 1 3 2688 2 2 8 ARG CA C -14.953 -4.639 -0.286 1.00 . B B . 308 ARG CA 1 1 3 2689 2 2 8 ARG CB C -14.056 -5.747 0.319 1.00 . B B . 308 ARG CB 1 1 3 2690 2 2 8 ARG CD C -12.859 -6.383 -1.819 1.00 . B B . 308 ARG CD 1 1 3 2691 2 2 8 ARG CG C -12.702 -5.946 -0.366 1.00 . B B . 308 ARG CG 1 1 3 2692 2 2 8 ARG CZ C -11.403 -7.114 -3.723 1.00 . B B . 308 ARG CZ 1 1 3 2693 2 2 8 ARG H H -13.746 -3.168 0.563 1.00 . B B . 308 ARG H 1 1 3 2694 2 2 8 ARG HA H -15.191 -4.858 -1.316 1.00 . B B . 308 ARG HA 1 1 3 2695 2 2 8 ARG HB2 H -13.875 -5.529 1.359 1.00 . B B . 308 ARG HB2 1 1 3 2696 2 2 8 ARG HB3 H -14.597 -6.681 0.262 1.00 . B B . 308 ARG HB3 1 1 3 2697 2 2 8 ARG HD2 H -13.444 -7.288 -1.854 1.00 . B B . 308 ARG HD2 1 1 3 2698 2 2 8 ARG HD3 H -13.373 -5.606 -2.365 1.00 . B B . 308 ARG HD3 1 1 3 2699 2 2 8 ARG HE H -10.786 -6.431 -1.902 1.00 . B B . 308 ARG HE 1 1 3 2700 2 2 8 ARG HG2 H -12.156 -5.014 -0.334 1.00 . B B . 308 ARG HG2 1 1 3 2701 2 2 8 ARG HG3 H -12.154 -6.708 0.172 1.00 . B B . 308 ARG HG3 1 1 3 2702 2 2 8 ARG HH11 H -13.403 -7.265 -4.132 1.00 . B B . 308 ARG HH11 1 1 3 2703 2 2 8 ARG HH12 H -12.376 -7.751 -5.405 1.00 . B B . 308 ARG HH12 1 1 3 2704 2 2 8 ARG HH21 H -9.338 -7.120 -3.702 1.00 . B B . 308 ARG HH21 1 1 3 2705 2 2 8 ARG HH22 H -10.026 -7.652 -5.155 1.00 . B B . 308 ARG HH22 1 1 3 2706 2 2 8 ARG N N -14.306 -3.362 -0.220 1.00 . B B . 308 ARG N 1 1 3 2707 2 2 8 ARG NE N -11.559 -6.637 -2.468 1.00 . B B . 308 ARG NE 1 1 3 2708 2 2 8 ARG NH1 N -12.465 -7.391 -4.471 1.00 . B B . 308 ARG NH1 1 1 3 2709 2 2 8 ARG NH2 N -10.172 -7.305 -4.223 1.00 . B B . 308 ARG NH2 1 1 3 2710 2 2 8 ARG O O -16.537 -3.417 1.058 1.00 . B B . 308 ARG O 1 1 3 2711 2 2 9 LYS C C -18.352 -6.635 2.469 1.00 . B B . 309 LYS C 1 1 3 2712 2 2 9 LYS CA C -18.238 -5.500 1.454 1.00 . B B . 309 LYS CA 1 1 3 2713 2 2 9 LYS CB C -19.454 -5.465 0.519 1.00 . B B . 309 LYS CB 1 1 3 2714 2 2 9 LYS CD C -20.644 -4.223 -1.323 1.00 . B B . 309 LYS CD 1 1 3 2715 2 2 9 LYS CE C -20.540 -3.036 -2.265 1.00 . B B . 309 LYS CE 1 1 3 2716 2 2 9 LYS CG C -19.430 -4.279 -0.430 1.00 . B B . 309 LYS CG 1 1 3 2717 2 2 9 LYS H H -16.728 -6.429 0.279 1.00 . B B . 309 LYS H 1 1 3 2718 2 2 9 LYS HA H -18.202 -4.567 1.998 1.00 . B B . 309 LYS HA 1 1 3 2719 2 2 9 LYS HB2 H -19.457 -6.376 -0.062 1.00 . B B . 309 LYS HB2 1 1 3 2720 2 2 9 LYS HB3 H -20.363 -5.426 1.101 1.00 . B B . 309 LYS HB3 1 1 3 2721 2 2 9 LYS HD2 H -20.696 -5.131 -1.904 1.00 . B B . 309 LYS HD2 1 1 3 2722 2 2 9 LYS HD3 H -21.527 -4.121 -0.712 1.00 . B B . 309 LYS HD3 1 1 3 2723 2 2 9 LYS HE2 H -20.393 -2.135 -1.687 1.00 . B B . 309 LYS HE2 1 1 3 2724 2 2 9 LYS HE3 H -19.691 -3.181 -2.916 1.00 . B B . 309 LYS HE3 1 1 3 2725 2 2 9 LYS HG2 H -19.394 -3.370 0.153 1.00 . B B . 309 LYS HG2 1 1 3 2726 2 2 9 LYS HG3 H -18.542 -4.338 -1.045 1.00 . B B . 309 LYS HG3 1 1 3 2727 2 2 9 LYS HZ1 H -21.643 -2.061 -3.732 1.00 . B B . 309 LYS HZ1 1 1 3 2728 2 2 9 LYS HZ2 H -22.576 -2.703 -2.504 1.00 . B B . 309 LYS HZ2 1 1 3 2729 2 2 9 LYS HZ3 H -21.956 -3.715 -3.663 1.00 . B B . 309 LYS HZ3 1 1 3 2730 2 2 9 LYS N N -16.991 -5.572 0.678 1.00 . B B . 309 LYS N 1 1 3 2731 2 2 9 LYS NZ N -21.736 -2.874 -3.093 1.00 . B B . 309 LYS NZ 1 1 3 2732 3 3 1 ZN ZN ZN 9.206 0.127 -5.065 1.00 . C A . 53 ZN ZN 1 1 3 2733 4 3 1 ZN ZN ZN 0.323 -5.715 1.200 1.00 . D A . 54 ZN ZN 1 1 4 2734 1 1 1 SER C C -4.648 -9.293 -1.980 1.00 . A A . 1 SER C 1 1 4 2735 1 1 1 SER CA C -5.931 -9.484 -2.807 1.00 . A A . 1 SER CA 1 1 4 2736 1 1 1 SER CB C -6.547 -10.859 -2.521 1.00 . A A . 1 SER CB 1 1 4 2737 1 1 1 SER HA H -6.634 -8.706 -2.549 1.00 . A A . 1 SER HA 1 1 4 2738 1 1 1 SER HB2 H -5.834 -11.621 -2.793 1.00 . A A . 1 SER HB2 1 1 4 2739 1 1 1 SER HB3 H -6.775 -10.946 -1.469 1.00 . A A . 1 SER HB3 1 1 4 2740 1 1 1 SER HG H -7.507 -10.947 -4.213 1.00 . A A . 1 SER HG 1 1 4 2741 1 1 1 SER N N -5.630 -9.358 -4.257 1.00 . A A . 1 SER N 1 1 4 2742 1 1 1 SER O O -4.665 -8.715 -0.876 1.00 . A A . 1 SER O 1 1 4 2743 1 1 1 SER OG O -7.731 -11.069 -3.279 1.00 . A A . 1 SER OG 1 1 4 2744 1 1 2 VAL C C -1.493 -8.617 -2.775 1.00 . A A . 2 VAL C 1 1 4 2745 1 1 2 VAL CA C -2.259 -9.610 -1.915 1.00 . A A . 2 VAL CA 1 1 4 2746 1 1 2 VAL CB C -1.468 -10.947 -1.864 1.00 . A A . 2 VAL CB 1 1 4 2747 1 1 2 VAL CG1 C -0.176 -10.799 -1.072 1.00 . A A . 2 VAL CG1 1 1 4 2748 1 1 2 VAL CG2 C -2.313 -12.074 -1.319 1.00 . A A . 2 VAL CG2 1 1 4 2749 1 1 2 VAL H H -3.589 -10.173 -3.415 1.00 . A A . 2 VAL H 1 1 4 2750 1 1 2 VAL HA H -2.431 -9.224 -0.914 1.00 . A A . 2 VAL HA 1 1 4 2751 1 1 2 VAL HB H -1.189 -11.181 -2.877 1.00 . A A . 2 VAL HB 1 1 4 2752 1 1 2 VAL HG11 H 0.352 -11.739 -1.061 1.00 . A A . 2 VAL HG11 1 1 4 2753 1 1 2 VAL HG12 H -0.410 -10.498 -0.060 1.00 . A A . 2 VAL HG12 1 1 4 2754 1 1 2 VAL HG13 H 0.433 -10.046 -1.545 1.00 . A A . 2 VAL HG13 1 1 4 2755 1 1 2 VAL HG21 H -3.185 -12.215 -1.940 1.00 . A A . 2 VAL HG21 1 1 4 2756 1 1 2 VAL HG22 H -2.622 -11.827 -0.314 1.00 . A A . 2 VAL HG22 1 1 4 2757 1 1 2 VAL HG23 H -1.728 -12.981 -1.302 1.00 . A A . 2 VAL HG23 1 1 4 2758 1 1 2 VAL N N -3.546 -9.754 -2.529 1.00 . A A . 2 VAL N 1 1 4 2759 1 1 2 VAL O O -1.614 -8.633 -3.988 1.00 . A A . 2 VAL O 1 1 4 2760 1 1 3 CYS C C 1.411 -6.982 -3.023 1.00 . A A . 3 CYS C 1 1 4 2761 1 1 3 CYS CA C -0.097 -6.687 -2.833 1.00 . A A . 3 CYS CA 1 1 4 2762 1 1 3 CYS CB C -0.249 -5.428 -2.024 1.00 . A A . 3 CYS CB 1 1 4 2763 1 1 3 CYS H H -0.614 -7.799 -1.200 1.00 . A A . 3 CYS H 1 1 4 2764 1 1 3 CYS HA H -0.557 -6.541 -3.797 1.00 . A A . 3 CYS HA 1 1 4 2765 1 1 3 CYS HB2 H -0.273 -4.561 -2.672 1.00 . A A . 3 CYS HB2 1 1 4 2766 1 1 3 CYS HB3 H -1.164 -5.470 -1.452 1.00 . A A . 3 CYS HB3 1 1 4 2767 1 1 3 CYS N N -0.755 -7.771 -2.162 1.00 . A A . 3 CYS N 1 1 4 2768 1 1 3 CYS O O 1.916 -8.040 -2.613 1.00 . A A . 3 CYS O 1 1 4 2769 1 1 3 CYS SG S 1.086 -5.225 -0.865 1.00 . A A . 3 CYS SG 1 1 4 2770 1 1 4 ALA C C 4.274 -5.681 -2.618 1.00 . A A . 4 ALA C 1 1 4 2771 1 1 4 ALA CA C 3.521 -6.146 -3.887 1.00 . A A . 4 ALA CA 1 1 4 2772 1 1 4 ALA CB C 3.942 -5.327 -5.096 1.00 . A A . 4 ALA CB 1 1 4 2773 1 1 4 ALA H H 1.582 -5.208 -3.759 1.00 . A A . 4 ALA H 1 1 4 2774 1 1 4 ALA HA H 3.730 -7.192 -4.063 1.00 . A A . 4 ALA HA 1 1 4 2775 1 1 4 ALA HB1 H 3.718 -4.288 -4.906 1.00 . A A . 4 ALA HB1 1 1 4 2776 1 1 4 ALA HB2 H 3.392 -5.647 -5.970 1.00 . A A . 4 ALA HB2 1 1 4 2777 1 1 4 ALA HB3 H 5.004 -5.442 -5.255 1.00 . A A . 4 ALA HB3 1 1 4 2778 1 1 4 ALA N N 2.103 -6.031 -3.650 1.00 . A A . 4 ALA N 1 1 4 2779 1 1 4 ALA O O 4.479 -4.506 -2.406 1.00 . A A . 4 ALA O 1 1 4 2780 1 1 5 ALA C C 5.841 -7.736 0.029 1.00 . A A . 5 ALA C 1 1 4 2781 1 1 5 ALA CA C 5.280 -6.402 -0.509 1.00 . A A . 5 ALA CA 1 1 4 2782 1 1 5 ALA CB C 4.305 -5.772 0.484 1.00 . A A . 5 ALA CB 1 1 4 2783 1 1 5 ALA H H 4.513 -7.515 -2.173 1.00 . A A . 5 ALA H 1 1 4 2784 1 1 5 ALA HA H 6.072 -5.695 -0.723 1.00 . A A . 5 ALA HA 1 1 4 2785 1 1 5 ALA HB1 H 4.698 -5.751 1.489 1.00 . A A . 5 ALA HB1 1 1 4 2786 1 1 5 ALA HB2 H 3.344 -6.255 0.436 1.00 . A A . 5 ALA HB2 1 1 4 2787 1 1 5 ALA HB3 H 4.162 -4.750 0.164 1.00 . A A . 5 ALA HB3 1 1 4 2788 1 1 5 ALA N N 4.630 -6.636 -1.780 1.00 . A A . 5 ALA N 1 1 4 2789 1 1 5 ALA O O 5.086 -8.620 0.407 1.00 . A A . 5 ALA O 1 1 4 2790 1 1 6 GLN C C 7.455 -9.534 1.939 1.00 . A A . 6 GLN C 1 1 4 2791 1 1 6 GLN CA C 7.854 -9.110 0.511 1.00 . A A . 6 GLN CA 1 1 4 2792 1 1 6 GLN CB C 9.369 -9.011 0.438 1.00 . A A . 6 GLN CB 1 1 4 2793 1 1 6 GLN CD C 11.423 -8.926 -0.968 1.00 . A A . 6 GLN CD 1 1 4 2794 1 1 6 GLN CG C 9.920 -8.847 -0.959 1.00 . A A . 6 GLN CG 1 1 4 2795 1 1 6 GLN H H 7.515 -7.144 -0.545 1.00 . A A . 6 GLN H 1 1 4 2796 1 1 6 GLN HA H 7.551 -9.918 -0.138 1.00 . A A . 6 GLN HA 1 1 4 2797 1 1 6 GLN HB2 H 9.706 -8.177 1.037 1.00 . A A . 6 GLN HB2 1 1 4 2798 1 1 6 GLN HB3 H 9.784 -9.917 0.861 1.00 . A A . 6 GLN HB3 1 1 4 2799 1 1 6 GLN HE21 H 11.566 -6.983 -0.602 1.00 . A A . 6 GLN HE21 1 1 4 2800 1 1 6 GLN HE22 H 13.051 -7.857 -0.757 1.00 . A A . 6 GLN HE22 1 1 4 2801 1 1 6 GLN HG2 H 9.522 -9.639 -1.576 1.00 . A A . 6 GLN HG2 1 1 4 2802 1 1 6 GLN HG3 H 9.616 -7.887 -1.350 1.00 . A A . 6 GLN HG3 1 1 4 2803 1 1 6 GLN N N 7.163 -7.885 -0.010 1.00 . A A . 6 GLN N 1 1 4 2804 1 1 6 GLN NE2 N 12.072 -7.811 -0.755 1.00 . A A . 6 GLN NE2 1 1 4 2805 1 1 6 GLN O O 7.645 -10.687 2.310 1.00 . A A . 6 GLN O 1 1 4 2806 1 1 6 GLN OE1 O 11.994 -9.996 -1.135 1.00 . A A . 6 GLN OE1 1 1 4 2807 1 1 7 ASN C C 5.041 -8.698 4.254 1.00 . A A . 7 ASN C 1 1 4 2808 1 1 7 ASN CA C 6.559 -8.932 4.099 1.00 . A A . 7 ASN CA 1 1 4 2809 1 1 7 ASN CB C 7.363 -7.991 5.021 1.00 . A A . 7 ASN CB 1 1 4 2810 1 1 7 ASN CG C 7.268 -8.333 6.505 1.00 . A A . 7 ASN CG 1 1 4 2811 1 1 7 ASN H H 6.762 -7.729 2.371 1.00 . A A . 7 ASN H 1 1 4 2812 1 1 7 ASN HA H 6.802 -9.961 4.322 1.00 . A A . 7 ASN HA 1 1 4 2813 1 1 7 ASN HB2 H 8.399 -8.054 4.721 1.00 . A A . 7 ASN HB2 1 1 4 2814 1 1 7 ASN HB3 H 7.031 -6.975 4.874 1.00 . A A . 7 ASN HB3 1 1 4 2815 1 1 7 ASN HD21 H 7.494 -6.424 6.974 1.00 . A A . 7 ASN HD21 1 1 4 2816 1 1 7 ASN HD22 H 7.332 -7.519 8.304 1.00 . A A . 7 ASN HD22 1 1 4 2817 1 1 7 ASN N N 6.929 -8.627 2.716 1.00 . A A . 7 ASN N 1 1 4 2818 1 1 7 ASN ND2 N 7.370 -7.322 7.345 1.00 . A A . 7 ASN ND2 1 1 4 2819 1 1 7 ASN O O 4.538 -8.380 5.325 1.00 . A A . 7 ASN O 1 1 4 2820 1 1 7 ASN OD1 O 7.117 -9.490 6.889 1.00 . A A . 7 ASN OD1 1 1 4 2821 1 1 8 CYS C C 2.052 -9.580 3.956 1.00 . A A . 8 CYS C 1 1 4 2822 1 1 8 CYS CA C 2.905 -8.622 3.109 1.00 . A A . 8 CYS CA 1 1 4 2823 1 1 8 CYS CB C 2.373 -8.568 1.662 1.00 . A A . 8 CYS CB 1 1 4 2824 1 1 8 CYS H H 4.786 -9.166 2.340 1.00 . A A . 8 CYS H 1 1 4 2825 1 1 8 CYS HA H 2.809 -7.632 3.519 1.00 . A A . 8 CYS HA 1 1 4 2826 1 1 8 CYS HB2 H 2.997 -7.913 1.078 1.00 . A A . 8 CYS HB2 1 1 4 2827 1 1 8 CYS HB3 H 2.484 -9.558 1.243 1.00 . A A . 8 CYS HB3 1 1 4 2828 1 1 8 CYS N N 4.329 -8.878 3.159 1.00 . A A . 8 CYS N 1 1 4 2829 1 1 8 CYS O O 2.419 -10.721 4.229 1.00 . A A . 8 CYS O 1 1 4 2830 1 1 8 CYS SG S 0.608 -8.077 1.505 1.00 . A A . 8 CYS SG 1 1 4 2831 1 1 9 GLN C C -1.394 -9.431 4.304 1.00 . A A . 9 GLN C 1 1 4 2832 1 1 9 GLN CA C -0.090 -9.731 5.043 1.00 . A A . 9 GLN CA 1 1 4 2833 1 1 9 GLN CB C -0.122 -9.260 6.506 1.00 . A A . 9 GLN CB 1 1 4 2834 1 1 9 GLN CD C -1.143 -9.538 8.796 1.00 . A A . 9 GLN CD 1 1 4 2835 1 1 9 GLN CG C -1.221 -9.906 7.330 1.00 . A A . 9 GLN CG 1 1 4 2836 1 1 9 GLN H H 0.785 -8.167 3.969 1.00 . A A . 9 GLN H 1 1 4 2837 1 1 9 GLN HA H 0.106 -10.793 4.991 1.00 . A A . 9 GLN HA 1 1 4 2838 1 1 9 GLN HB2 H 0.830 -9.493 6.963 1.00 . A A . 9 GLN HB2 1 1 4 2839 1 1 9 GLN HB3 H -0.256 -8.190 6.521 1.00 . A A . 9 GLN HB3 1 1 4 2840 1 1 9 GLN HE21 H 0.014 -11.101 9.123 1.00 . A A . 9 GLN HE21 1 1 4 2841 1 1 9 GLN HE22 H -0.339 -10.149 10.514 1.00 . A A . 9 GLN HE22 1 1 4 2842 1 1 9 GLN HG2 H -2.167 -9.573 6.927 1.00 . A A . 9 GLN HG2 1 1 4 2843 1 1 9 GLN HG3 H -1.146 -10.982 7.231 1.00 . A A . 9 GLN HG3 1 1 4 2844 1 1 9 GLN N N 0.919 -9.062 4.327 1.00 . A A . 9 GLN N 1 1 4 2845 1 1 9 GLN NE2 N -0.419 -10.334 9.555 1.00 . A A . 9 GLN NE2 1 1 4 2846 1 1 9 GLN O O -1.664 -8.263 3.953 1.00 . A A . 9 GLN O 1 1 4 2847 1 1 9 GLN OE1 O -1.728 -8.549 9.253 1.00 . A A . 9 GLN OE1 1 1 4 2848 1 1 10 ARG C C -4.573 -10.165 4.216 1.00 . A A . 10 ARG C 1 1 4 2849 1 1 10 ARG CA C -3.385 -10.409 3.277 1.00 . A A . 10 ARG CA 1 1 4 2850 1 1 10 ARG CB C -3.574 -11.721 2.510 1.00 . A A . 10 ARG CB 1 1 4 2851 1 1 10 ARG CD C -4.939 -13.154 0.964 1.00 . A A . 10 ARG CD 1 1 4 2852 1 1 10 ARG CG C -4.839 -11.804 1.670 1.00 . A A . 10 ARG CG 1 1 4 2853 1 1 10 ARG CZ C -6.247 -14.122 -0.935 1.00 . A A . 10 ARG CZ 1 1 4 2854 1 1 10 ARG H H -1.880 -11.340 4.371 1.00 . A A . 10 ARG H 1 1 4 2855 1 1 10 ARG HA H -3.323 -9.596 2.570 1.00 . A A . 10 ARG HA 1 1 4 2856 1 1 10 ARG HB2 H -2.732 -11.845 1.847 1.00 . A A . 10 ARG HB2 1 1 4 2857 1 1 10 ARG HB3 H -3.588 -12.537 3.219 1.00 . A A . 10 ARG HB3 1 1 4 2858 1 1 10 ARG HD2 H -4.066 -13.299 0.346 1.00 . A A . 10 ARG HD2 1 1 4 2859 1 1 10 ARG HD3 H -4.982 -13.923 1.720 1.00 . A A . 10 ARG HD3 1 1 4 2860 1 1 10 ARG HE H -6.873 -12.666 0.352 1.00 . A A . 10 ARG HE 1 1 4 2861 1 1 10 ARG HG2 H -5.681 -11.683 2.333 1.00 . A A . 10 ARG HG2 1 1 4 2862 1 1 10 ARG HG3 H -4.838 -11.015 0.933 1.00 . A A . 10 ARG HG3 1 1 4 2863 1 1 10 ARG HH11 H -4.393 -14.980 -0.712 1.00 . A A . 10 ARG HH11 1 1 4 2864 1 1 10 ARG HH12 H -5.280 -15.610 -2.007 1.00 . A A . 10 ARG HH12 1 1 4 2865 1 1 10 ARG HH21 H -8.145 -13.529 -1.468 1.00 . A A . 10 ARG HH21 1 1 4 2866 1 1 10 ARG HH22 H -7.498 -14.740 -2.449 1.00 . A A . 10 ARG HH22 1 1 4 2867 1 1 10 ARG N N -2.146 -10.468 4.026 1.00 . A A . 10 ARG N 1 1 4 2868 1 1 10 ARG NE N -6.129 -13.266 0.109 1.00 . A A . 10 ARG NE 1 1 4 2869 1 1 10 ARG NH1 N -5.249 -14.955 -1.241 1.00 . A A . 10 ARG NH1 1 1 4 2870 1 1 10 ARG NH2 N -7.363 -14.135 -1.662 1.00 . A A . 10 ARG NH2 1 1 4 2871 1 1 10 ARG O O -5.005 -11.069 4.935 1.00 . A A . 10 ARG O 1 1 4 2872 1 1 11 PRO C C -7.574 -8.887 4.464 1.00 . A A . 11 PRO C 1 1 4 2873 1 1 11 PRO CA C -6.193 -8.568 5.096 1.00 . A A . 11 PRO CA 1 1 4 2874 1 1 11 PRO CB C -6.002 -7.062 5.290 1.00 . A A . 11 PRO CB 1 1 4 2875 1 1 11 PRO CD C -4.580 -7.789 3.464 1.00 . A A . 11 PRO CD 1 1 4 2876 1 1 11 PRO CG C -5.317 -6.592 4.039 1.00 . A A . 11 PRO CG 1 1 4 2877 1 1 11 PRO HA H -6.116 -9.065 6.051 1.00 . A A . 11 PRO HA 1 1 4 2878 1 1 11 PRO HB2 H -6.952 -6.573 5.451 1.00 . A A . 11 PRO HB2 1 1 4 2879 1 1 11 PRO HB3 H -5.368 -6.908 6.152 1.00 . A A . 11 PRO HB3 1 1 4 2880 1 1 11 PRO HD2 H -4.708 -7.924 2.396 1.00 . A A . 11 PRO HD2 1 1 4 2881 1 1 11 PRO HD3 H -3.529 -7.651 3.666 1.00 . A A . 11 PRO HD3 1 1 4 2882 1 1 11 PRO HG2 H -6.042 -6.233 3.324 1.00 . A A . 11 PRO HG2 1 1 4 2883 1 1 11 PRO HG3 H -4.612 -5.810 4.284 1.00 . A A . 11 PRO HG3 1 1 4 2884 1 1 11 PRO N N -5.081 -8.930 4.242 1.00 . A A . 11 PRO N 1 1 4 2885 1 1 11 PRO O O -8.337 -9.676 5.007 1.00 . A A . 11 PRO O 1 1 4 2886 1 1 12 CYS C C -10.367 -8.113 3.428 1.00 . A A . 12 CYS C 1 1 4 2887 1 1 12 CYS CA C -9.118 -8.435 2.573 1.00 . A A . 12 CYS CA 1 1 4 2888 1 1 12 CYS CB C -9.200 -9.847 1.995 1.00 . A A . 12 CYS CB 1 1 4 2889 1 1 12 CYS H H -7.189 -7.658 2.953 1.00 . A A . 12 CYS H 1 1 4 2890 1 1 12 CYS HA H -9.066 -7.723 1.760 1.00 . A A . 12 CYS HA 1 1 4 2891 1 1 12 CYS HB2 H -9.126 -10.551 2.808 1.00 . A A . 12 CYS HB2 1 1 4 2892 1 1 12 CYS HB3 H -10.149 -9.962 1.497 1.00 . A A . 12 CYS HB3 1 1 4 2893 1 1 12 CYS HG H -8.524 -10.855 -0.181 1.00 . A A . 12 CYS HG 1 1 4 2894 1 1 12 CYS N N -7.865 -8.256 3.319 1.00 . A A . 12 CYS N 1 1 4 2895 1 1 12 CYS O O -11.425 -8.744 3.281 1.00 . A A . 12 CYS O 1 1 4 2896 1 1 12 CYS SG S -7.888 -10.258 0.821 1.00 . A A . 12 CYS SG 1 1 4 2897 1 1 13 LYS C C -12.230 -5.687 4.292 1.00 . A A . 13 LYS C 1 1 4 2898 1 1 13 LYS CA C -11.368 -6.667 5.083 1.00 . A A . 13 LYS CA 1 1 4 2899 1 1 13 LYS CB C -10.876 -6.040 6.392 1.00 . A A . 13 LYS CB 1 1 4 2900 1 1 13 LYS CD C -9.795 -6.342 8.598 1.00 . A A . 13 LYS CD 1 1 4 2901 1 1 13 LYS CE C -9.163 -7.327 9.543 1.00 . A A . 13 LYS CE 1 1 4 2902 1 1 13 LYS CG C -10.107 -6.991 7.269 1.00 . A A . 13 LYS CG 1 1 4 2903 1 1 13 LYS H H -9.440 -6.554 4.242 1.00 . A A . 13 LYS H 1 1 4 2904 1 1 13 LYS HA H -11.955 -7.548 5.301 1.00 . A A . 13 LYS HA 1 1 4 2905 1 1 13 LYS HB2 H -10.242 -5.188 6.199 1.00 . A A . 13 LYS HB2 1 1 4 2906 1 1 13 LYS HB3 H -11.721 -5.722 6.982 1.00 . A A . 13 LYS HB3 1 1 4 2907 1 1 13 LYS HD2 H -9.106 -5.526 8.439 1.00 . A A . 13 LYS HD2 1 1 4 2908 1 1 13 LYS HD3 H -10.713 -5.970 9.033 1.00 . A A . 13 LYS HD3 1 1 4 2909 1 1 13 LYS HE2 H -9.885 -8.126 9.601 1.00 . A A . 13 LYS HE2 1 1 4 2910 1 1 13 LYS HE3 H -8.234 -7.697 9.130 1.00 . A A . 13 LYS HE3 1 1 4 2911 1 1 13 LYS HG2 H -10.697 -7.881 7.436 1.00 . A A . 13 LYS HG2 1 1 4 2912 1 1 13 LYS HG3 H -9.184 -7.240 6.768 1.00 . A A . 13 LYS HG3 1 1 4 2913 1 1 13 LYS HZ1 H -8.368 -5.895 10.865 1.00 . A A . 13 LYS HZ1 1 1 4 2914 1 1 13 LYS HZ2 H -8.499 -7.463 11.508 1.00 . A A . 13 LYS HZ2 1 1 4 2915 1 1 13 LYS HZ3 H -9.871 -6.529 11.310 1.00 . A A . 13 LYS HZ3 1 1 4 2916 1 1 13 LYS N N -10.257 -7.086 4.253 1.00 . A A . 13 LYS N 1 1 4 2917 1 1 13 LYS NZ N -8.947 -6.757 10.888 1.00 . A A . 13 LYS NZ 1 1 4 2918 1 1 13 LYS O O -12.072 -5.595 3.071 1.00 . A A . 13 LYS O 1 1 4 2919 1 1 14 ASP C C -13.341 -3.004 3.455 1.00 . A A . 14 ASP C 1 1 4 2920 1 1 14 ASP CA C -14.069 -4.031 4.333 1.00 . A A . 14 ASP CA 1 1 4 2921 1 1 14 ASP CB C -14.941 -3.343 5.401 1.00 . A A . 14 ASP CB 1 1 4 2922 1 1 14 ASP CG C -15.981 -2.391 4.835 1.00 . A A . 14 ASP CG 1 1 4 2923 1 1 14 ASP H H -13.135 -4.932 5.958 1.00 . A A . 14 ASP H 1 1 4 2924 1 1 14 ASP HA H -14.702 -4.619 3.684 1.00 . A A . 14 ASP HA 1 1 4 2925 1 1 14 ASP HB2 H -15.463 -4.107 5.957 1.00 . A A . 14 ASP HB2 1 1 4 2926 1 1 14 ASP HB3 H -14.301 -2.797 6.079 1.00 . A A . 14 ASP HB3 1 1 4 2927 1 1 14 ASP N N -13.110 -4.949 4.983 1.00 . A A . 14 ASP N 1 1 4 2928 1 1 14 ASP O O -13.397 -3.082 2.232 1.00 . A A . 14 ASP O 1 1 4 2929 1 1 14 ASP OD1 O -15.677 -1.197 4.690 1.00 . A A . 14 ASP OD1 1 1 4 2930 1 1 14 ASP OD2 O -17.127 -2.823 4.570 1.00 . A A . 14 ASP OD2 1 1 4 2931 1 1 15 LYS C C -10.449 -1.104 3.936 1.00 . A A . 15 LYS C 1 1 4 2932 1 1 15 LYS CA C -11.844 -1.122 3.357 1.00 . A A . 15 LYS CA 1 1 4 2933 1 1 15 LYS CB C -12.471 0.280 3.339 1.00 . A A . 15 LYS CB 1 1 4 2934 1 1 15 LYS CD C -14.358 1.759 2.503 1.00 . A A . 15 LYS CD 1 1 4 2935 1 1 15 LYS CE C -14.854 2.172 3.867 1.00 . A A . 15 LYS CE 1 1 4 2936 1 1 15 LYS CG C -13.758 0.359 2.517 1.00 . A A . 15 LYS CG 1 1 4 2937 1 1 15 LYS H H -12.716 -1.943 5.044 1.00 . A A . 15 LYS H 1 1 4 2938 1 1 15 LYS HA H -11.770 -1.485 2.343 1.00 . A A . 15 LYS HA 1 1 4 2939 1 1 15 LYS HB2 H -12.691 0.542 4.360 1.00 . A A . 15 LYS HB2 1 1 4 2940 1 1 15 LYS HB3 H -11.757 0.990 2.943 1.00 . A A . 15 LYS HB3 1 1 4 2941 1 1 15 LYS HD2 H -13.606 2.469 2.193 1.00 . A A . 15 LYS HD2 1 1 4 2942 1 1 15 LYS HD3 H -15.186 1.780 1.809 1.00 . A A . 15 LYS HD3 1 1 4 2943 1 1 15 LYS HE2 H -14.035 1.961 4.533 1.00 . A A . 15 LYS HE2 1 1 4 2944 1 1 15 LYS HE3 H -15.105 3.223 3.879 1.00 . A A . 15 LYS HE3 1 1 4 2945 1 1 15 LYS HG2 H -13.504 0.086 1.505 1.00 . A A . 15 LYS HG2 1 1 4 2946 1 1 15 LYS HG3 H -14.478 -0.336 2.920 1.00 . A A . 15 LYS HG3 1 1 4 2947 1 1 15 LYS HZ1 H -16.798 1.440 3.646 1.00 . A A . 15 LYS HZ1 1 1 4 2948 1 1 15 LYS HZ2 H -16.354 1.672 5.247 1.00 . A A . 15 LYS HZ2 1 1 4 2949 1 1 15 LYS HZ3 H -15.778 0.342 4.381 1.00 . A A . 15 LYS HZ3 1 1 4 2950 1 1 15 LYS N N -12.663 -2.063 4.075 1.00 . A A . 15 LYS N 1 1 4 2951 1 1 15 LYS NZ N -16.008 1.363 4.320 1.00 . A A . 15 LYS NZ 1 1 4 2952 1 1 15 LYS O O -10.271 -0.918 5.150 1.00 . A A . 15 LYS O 1 1 4 2953 1 1 16 VAL C C -7.235 -0.423 2.684 1.00 . A A . 16 VAL C 1 1 4 2954 1 1 16 VAL CA C -8.077 -1.394 3.496 1.00 . A A . 16 VAL CA 1 1 4 2955 1 1 16 VAL CB C -7.487 -2.851 3.379 1.00 . A A . 16 VAL CB 1 1 4 2956 1 1 16 VAL CG1 C -8.297 -3.847 4.190 1.00 . A A . 16 VAL CG1 1 1 4 2957 1 1 16 VAL CG2 C -7.375 -3.306 1.917 1.00 . A A . 16 VAL CG2 1 1 4 2958 1 1 16 VAL H H -9.668 -1.405 2.121 1.00 . A A . 16 VAL H 1 1 4 2959 1 1 16 VAL HA H -8.038 -1.087 4.531 1.00 . A A . 16 VAL HA 1 1 4 2960 1 1 16 VAL HB H -6.492 -2.826 3.799 1.00 . A A . 16 VAL HB 1 1 4 2961 1 1 16 VAL HG11 H -7.847 -4.826 4.107 1.00 . A A . 16 VAL HG11 1 1 4 2962 1 1 16 VAL HG12 H -9.309 -3.877 3.813 1.00 . A A . 16 VAL HG12 1 1 4 2963 1 1 16 VAL HG13 H -8.314 -3.537 5.223 1.00 . A A . 16 VAL HG13 1 1 4 2964 1 1 16 VAL HG21 H -6.707 -2.603 1.436 1.00 . A A . 16 VAL HG21 1 1 4 2965 1 1 16 VAL HG22 H -8.338 -3.266 1.429 1.00 . A A . 16 VAL HG22 1 1 4 2966 1 1 16 VAL HG23 H -7.002 -4.320 1.850 1.00 . A A . 16 VAL HG23 1 1 4 2967 1 1 16 VAL N N -9.465 -1.320 3.076 1.00 . A A . 16 VAL N 1 1 4 2968 1 1 16 VAL O O -7.503 -0.206 1.493 1.00 . A A . 16 VAL O 1 1 4 2969 1 1 17 ASP C C -4.273 0.612 1.878 1.00 . A A . 17 ASP C 1 1 4 2970 1 1 17 ASP CA C -5.375 1.199 2.759 1.00 . A A . 17 ASP CA 1 1 4 2971 1 1 17 ASP CB C -4.728 2.043 3.863 1.00 . A A . 17 ASP CB 1 1 4 2972 1 1 17 ASP CG C -5.746 2.726 4.745 1.00 . A A . 17 ASP CG 1 1 4 2973 1 1 17 ASP H H -6.218 0.154 4.320 1.00 . A A . 17 ASP H 1 1 4 2974 1 1 17 ASP HA H -5.966 1.867 2.155 1.00 . A A . 17 ASP HA 1 1 4 2975 1 1 17 ASP HB2 H -4.100 1.420 4.485 1.00 . A A . 17 ASP HB2 1 1 4 2976 1 1 17 ASP HB3 H -4.119 2.801 3.393 1.00 . A A . 17 ASP HB3 1 1 4 2977 1 1 17 ASP N N -6.291 0.202 3.349 1.00 . A A . 17 ASP N 1 1 4 2978 1 1 17 ASP O O -3.830 -0.544 2.047 1.00 . A A . 17 ASP O 1 1 4 2979 1 1 17 ASP OD1 O -6.239 2.070 5.691 1.00 . A A . 17 ASP OD1 1 1 4 2980 1 1 17 ASP OD2 O -6.072 3.900 4.500 1.00 . A A . 17 ASP OD2 1 1 4 2981 1 1 18 TRP C C -1.845 2.275 -0.293 1.00 . A A . 18 TRP C 1 1 4 2982 1 1 18 TRP CA C -2.796 1.102 -0.038 1.00 . A A . 18 TRP CA 1 1 4 2983 1 1 18 TRP CB C -3.440 0.765 -1.354 1.00 . A A . 18 TRP CB 1 1 4 2984 1 1 18 TRP CD1 C -5.578 -0.502 -0.749 1.00 . A A . 18 TRP CD1 1 1 4 2985 1 1 18 TRP CD2 C -4.271 -1.553 -2.178 1.00 . A A . 18 TRP CD2 1 1 4 2986 1 1 18 TRP CE2 C -5.379 -2.352 -1.922 1.00 . A A . 18 TRP CE2 1 1 4 2987 1 1 18 TRP CE3 C -3.320 -1.993 -3.055 1.00 . A A . 18 TRP CE3 1 1 4 2988 1 1 18 TRP CG C -4.394 -0.396 -1.382 1.00 . A A . 18 TRP CG 1 1 4 2989 1 1 18 TRP CH2 C -4.602 -3.980 -3.418 1.00 . A A . 18 TRP CH2 1 1 4 2990 1 1 18 TRP CZ2 C -5.568 -3.570 -2.531 1.00 . A A . 18 TRP CZ2 1 1 4 2991 1 1 18 TRP CZ3 C -3.490 -3.198 -3.683 1.00 . A A . 18 TRP CZ3 1 1 4 2992 1 1 18 TRP H H -4.221 2.334 1.110 1.00 . A A . 18 TRP H 1 1 4 2993 1 1 18 TRP HA H -2.235 0.249 0.306 1.00 . A A . 18 TRP HA 1 1 4 2994 1 1 18 TRP HB2 H -3.960 1.656 -1.659 1.00 . A A . 18 TRP HB2 1 1 4 2995 1 1 18 TRP HB3 H -2.649 0.582 -2.065 1.00 . A A . 18 TRP HB3 1 1 4 2996 1 1 18 TRP HD1 H -5.974 0.247 -0.079 1.00 . A A . 18 TRP HD1 1 1 4 2997 1 1 18 TRP HE1 H -7.004 -2.028 -0.680 1.00 . A A . 18 TRP HE1 1 1 4 2998 1 1 18 TRP HE3 H -2.475 -1.356 -3.232 1.00 . A A . 18 TRP HE3 1 1 4 2999 1 1 18 TRP HH2 H -4.679 -4.906 -3.959 1.00 . A A . 18 TRP HH2 1 1 4 3000 1 1 18 TRP HZ2 H -6.446 -4.155 -2.294 1.00 . A A . 18 TRP HZ2 1 1 4 3001 1 1 18 TRP HZ3 H -2.753 -3.553 -4.387 1.00 . A A . 18 TRP HZ3 1 1 4 3002 1 1 18 TRP N N -3.806 1.455 0.964 1.00 . A A . 18 TRP N 1 1 4 3003 1 1 18 TRP NE1 N -6.148 -1.698 -1.035 1.00 . A A . 18 TRP NE1 1 1 4 3004 1 1 18 TRP O O -2.179 3.437 0.005 1.00 . A A . 18 TRP O 1 1 4 3005 1 1 19 VAL C C 0.876 2.482 -2.605 1.00 . A A . 19 VAL C 1 1 4 3006 1 1 19 VAL CA C 0.370 2.893 -1.241 1.00 . A A . 19 VAL CA 1 1 4 3007 1 1 19 VAL CB C 1.607 2.686 -0.354 1.00 . A A . 19 VAL CB 1 1 4 3008 1 1 19 VAL CG1 C 2.549 3.882 -0.325 1.00 . A A . 19 VAL CG1 1 1 4 3009 1 1 19 VAL CG2 C 1.326 2.083 0.997 1.00 . A A . 19 VAL CG2 1 1 4 3010 1 1 19 VAL H H -0.542 1.047 -1.252 1.00 . A A . 19 VAL H 1 1 4 3011 1 1 19 VAL HA H 0.048 3.922 -1.202 1.00 . A A . 19 VAL HA 1 1 4 3012 1 1 19 VAL HB H 2.150 1.960 -0.934 1.00 . A A . 19 VAL HB 1 1 4 3013 1 1 19 VAL HG11 H 2.890 4.112 -1.323 1.00 . A A . 19 VAL HG11 1 1 4 3014 1 1 19 VAL HG12 H 3.402 3.646 0.297 1.00 . A A . 19 VAL HG12 1 1 4 3015 1 1 19 VAL HG13 H 2.023 4.731 0.082 1.00 . A A . 19 VAL HG13 1 1 4 3016 1 1 19 VAL HG21 H 2.239 2.029 1.572 1.00 . A A . 19 VAL HG21 1 1 4 3017 1 1 19 VAL HG22 H 0.943 1.078 0.831 1.00 . A A . 19 VAL HG22 1 1 4 3018 1 1 19 VAL HG23 H 0.601 2.713 1.496 1.00 . A A . 19 VAL HG23 1 1 4 3019 1 1 19 VAL N N -0.705 1.959 -0.917 1.00 . A A . 19 VAL N 1 1 4 3020 1 1 19 VAL O O 0.787 1.297 -2.948 1.00 . A A . 19 VAL O 1 1 4 3021 1 1 20 GLN C C 3.444 3.426 -4.558 1.00 . A A . 20 GLN C 1 1 4 3022 1 1 20 GLN CA C 2.000 3.014 -4.606 1.00 . A A . 20 GLN CA 1 1 4 3023 1 1 20 GLN CB C 1.339 3.661 -5.815 1.00 . A A . 20 GLN CB 1 1 4 3024 1 1 20 GLN CD C 1.075 3.465 -8.354 1.00 . A A . 20 GLN CD 1 1 4 3025 1 1 20 GLN CG C 1.585 2.846 -7.082 1.00 . A A . 20 GLN CG 1 1 4 3026 1 1 20 GLN H H 1.309 4.306 -3.013 1.00 . A A . 20 GLN H 1 1 4 3027 1 1 20 GLN HA H 1.949 1.940 -4.695 1.00 . A A . 20 GLN HA 1 1 4 3028 1 1 20 GLN HB2 H 0.281 3.770 -5.627 1.00 . A A . 20 GLN HB2 1 1 4 3029 1 1 20 GLN HB3 H 1.773 4.640 -5.956 1.00 . A A . 20 GLN HB3 1 1 4 3030 1 1 20 GLN HE21 H 2.378 2.389 -9.352 1.00 . A A . 20 GLN HE21 1 1 4 3031 1 1 20 GLN HE22 H 1.366 3.370 -10.311 1.00 . A A . 20 GLN HE22 1 1 4 3032 1 1 20 GLN HG2 H 2.651 2.715 -7.200 1.00 . A A . 20 GLN HG2 1 1 4 3033 1 1 20 GLN HG3 H 1.123 1.875 -6.959 1.00 . A A . 20 GLN HG3 1 1 4 3034 1 1 20 GLN N N 1.387 3.394 -3.367 1.00 . A A . 20 GLN N 1 1 4 3035 1 1 20 GLN NE2 N 1.659 3.055 -9.439 1.00 . A A . 20 GLN NE2 1 1 4 3036 1 1 20 GLN O O 3.749 4.515 -4.104 1.00 . A A . 20 GLN O 1 1 4 3037 1 1 20 GLN OE1 O 0.123 4.254 -8.371 1.00 . A A . 20 GLN OE1 1 1 4 3038 1 1 21 CYS C C 5.960 3.906 -6.144 1.00 . A A . 21 CYS C 1 1 4 3039 1 1 21 CYS CA C 5.755 2.903 -5.031 1.00 . A A . 21 CYS CA 1 1 4 3040 1 1 21 CYS CB C 6.570 1.687 -5.362 1.00 . A A . 21 CYS CB 1 1 4 3041 1 1 21 CYS H H 4.023 1.630 -5.156 1.00 . A A . 21 CYS H 1 1 4 3042 1 1 21 CYS HA H 6.089 3.308 -4.083 1.00 . A A . 21 CYS HA 1 1 4 3043 1 1 21 CYS HB2 H 6.212 0.819 -4.839 1.00 . A A . 21 CYS HB2 1 1 4 3044 1 1 21 CYS HB3 H 6.444 1.514 -6.421 1.00 . A A . 21 CYS HB3 1 1 4 3045 1 1 21 CYS N N 4.337 2.545 -4.954 1.00 . A A . 21 CYS N 1 1 4 3046 1 1 21 CYS O O 5.379 3.769 -7.219 1.00 . A A . 21 CYS O 1 1 4 3047 1 1 21 CYS SG S 8.346 1.803 -5.062 1.00 . A A . 21 CYS SG 1 1 4 3048 1 1 22 ASP C C 8.513 5.750 -7.370 1.00 . A A . 22 ASP C 1 1 4 3049 1 1 22 ASP CA C 7.075 5.891 -6.900 1.00 . A A . 22 ASP CA 1 1 4 3050 1 1 22 ASP CB C 6.895 7.316 -6.353 1.00 . A A . 22 ASP CB 1 1 4 3051 1 1 22 ASP CG C 5.484 7.625 -5.916 1.00 . A A . 22 ASP CG 1 1 4 3052 1 1 22 ASP H H 7.079 5.031 -4.969 1.00 . A A . 22 ASP H 1 1 4 3053 1 1 22 ASP HA H 6.399 5.761 -7.733 1.00 . A A . 22 ASP HA 1 1 4 3054 1 1 22 ASP HB2 H 7.534 7.421 -5.488 1.00 . A A . 22 ASP HB2 1 1 4 3055 1 1 22 ASP HB3 H 7.206 8.030 -7.102 1.00 . A A . 22 ASP HB3 1 1 4 3056 1 1 22 ASP N N 6.751 4.902 -5.887 1.00 . A A . 22 ASP N 1 1 4 3057 1 1 22 ASP O O 8.960 6.503 -8.227 1.00 . A A . 22 ASP O 1 1 4 3058 1 1 22 ASP OD1 O 4.645 8.018 -6.776 1.00 . A A . 22 ASP OD1 1 1 4 3059 1 1 22 ASP OD2 O 5.211 7.514 -4.719 1.00 . A A . 22 ASP OD2 1 1 4 3060 1 1 23 GLY C C 11.131 3.614 -8.087 1.00 . A A . 23 GLY C 1 1 4 3061 1 1 23 GLY CA C 10.688 4.738 -7.165 1.00 . A A . 23 GLY CA 1 1 4 3062 1 1 23 GLY H H 8.986 4.100 -6.191 1.00 . A A . 23 GLY H 1 1 4 3063 1 1 23 GLY HA2 H 10.980 5.672 -7.614 1.00 . A A . 23 GLY HA2 1 1 4 3064 1 1 23 GLY HA3 H 11.233 4.623 -6.237 1.00 . A A . 23 GLY HA3 1 1 4 3065 1 1 23 GLY N N 9.266 4.787 -6.828 1.00 . A A . 23 GLY N 1 1 4 3066 1 1 23 GLY O O 12.291 3.217 -8.029 1.00 . A A . 23 GLY O 1 1 4 3067 1 1 24 GLY C C 9.748 0.994 -10.167 1.00 . A A . 24 GLY C 1 1 4 3068 1 1 24 GLY CA C 10.721 2.084 -9.845 1.00 . A A . 24 GLY CA 1 1 4 3069 1 1 24 GLY H H 9.330 3.387 -8.732 1.00 . A A . 24 GLY H 1 1 4 3070 1 1 24 GLY HA2 H 10.952 2.592 -10.767 1.00 . A A . 24 GLY HA2 1 1 4 3071 1 1 24 GLY HA3 H 11.630 1.638 -9.472 1.00 . A A . 24 GLY HA3 1 1 4 3072 1 1 24 GLY N N 10.252 3.073 -8.880 1.00 . A A . 24 GLY N 1 1 4 3073 1 1 24 GLY O O 9.373 0.832 -11.333 1.00 . A A . 24 GLY O 1 1 4 3074 1 1 25 CYS C C 7.090 -0.261 -9.774 1.00 . A A . 25 CYS C 1 1 4 3075 1 1 25 CYS CA C 8.437 -0.866 -9.435 1.00 . A A . 25 CYS CA 1 1 4 3076 1 1 25 CYS CB C 8.372 -1.941 -8.282 1.00 . A A . 25 CYS CB 1 1 4 3077 1 1 25 CYS H H 9.736 0.389 -8.285 1.00 . A A . 25 CYS H 1 1 4 3078 1 1 25 CYS HA H 8.792 -1.335 -10.343 1.00 . A A . 25 CYS HA 1 1 4 3079 1 1 25 CYS HB2 H 7.777 -2.776 -8.620 1.00 . A A . 25 CYS HB2 1 1 4 3080 1 1 25 CYS HB3 H 9.378 -2.293 -8.099 1.00 . A A . 25 CYS HB3 1 1 4 3081 1 1 25 CYS N N 9.365 0.204 -9.170 1.00 . A A . 25 CYS N 1 1 4 3082 1 1 25 CYS O O 6.520 -0.548 -10.835 1.00 . A A . 25 CYS O 1 1 4 3083 1 1 25 CYS SG S 7.649 -1.445 -6.678 1.00 . A A . 25 CYS SG 1 1 4 3084 1 1 26 ASP C C 4.172 0.498 -8.982 1.00 . A A . 26 ASP C 1 1 4 3085 1 1 26 ASP CA C 5.380 1.364 -9.052 1.00 . A A . 26 ASP CA 1 1 4 3086 1 1 26 ASP CB C 5.464 2.174 -10.382 1.00 . A A . 26 ASP CB 1 1 4 3087 1 1 26 ASP CG C 6.438 3.362 -10.344 1.00 . A A . 26 ASP CG 1 1 4 3088 1 1 26 ASP H H 6.940 0.251 -7.964 1.00 . A A . 26 ASP H 1 1 4 3089 1 1 26 ASP HA H 5.249 2.042 -8.221 1.00 . A A . 26 ASP HA 1 1 4 3090 1 1 26 ASP HB2 H 5.806 1.500 -11.152 1.00 . A A . 26 ASP HB2 1 1 4 3091 1 1 26 ASP HB3 H 4.476 2.534 -10.634 1.00 . A A . 26 ASP HB3 1 1 4 3092 1 1 26 ASP N N 6.567 0.522 -8.821 1.00 . A A . 26 ASP N 1 1 4 3093 1 1 26 ASP O O 3.159 0.723 -9.642 1.00 . A A . 26 ASP O 1 1 4 3094 1 1 26 ASP OD1 O 7.537 3.258 -9.729 1.00 . A A . 26 ASP OD1 1 1 4 3095 1 1 26 ASP OD2 O 6.124 4.406 -10.984 1.00 . A A . 26 ASP OD2 1 1 4 3096 1 1 27 GLU C C 2.537 -0.937 -6.571 1.00 . A A . 27 GLU C 1 1 4 3097 1 1 27 GLU CA C 3.196 -1.395 -7.844 1.00 . A A . 27 GLU CA 1 1 4 3098 1 1 27 GLU CB C 3.733 -2.819 -7.687 1.00 . A A . 27 GLU CB 1 1 4 3099 1 1 27 GLU CD C 4.907 -4.789 -8.752 1.00 . A A . 27 GLU CD 1 1 4 3100 1 1 27 GLU CG C 4.380 -3.381 -8.946 1.00 . A A . 27 GLU CG 1 1 4 3101 1 1 27 GLU H H 5.057 -0.600 -7.542 1.00 . A A . 27 GLU H 1 1 4 3102 1 1 27 GLU HA H 2.484 -1.352 -8.656 1.00 . A A . 27 GLU HA 1 1 4 3103 1 1 27 GLU HB2 H 4.493 -2.797 -6.919 1.00 . A A . 27 GLU HB2 1 1 4 3104 1 1 27 GLU HB3 H 2.928 -3.471 -7.384 1.00 . A A . 27 GLU HB3 1 1 4 3105 1 1 27 GLU HG2 H 3.640 -3.384 -9.734 1.00 . A A . 27 GLU HG2 1 1 4 3106 1 1 27 GLU HG3 H 5.199 -2.738 -9.232 1.00 . A A . 27 GLU HG3 1 1 4 3107 1 1 27 GLU N N 4.265 -0.483 -8.105 1.00 . A A . 27 GLU N 1 1 4 3108 1 1 27 GLU O O 3.001 0.045 -5.947 1.00 . A A . 27 GLU O 1 1 4 3109 1 1 27 GLU OE1 O 4.120 -5.765 -8.874 1.00 . A A . 27 GLU OE1 1 1 4 3110 1 1 27 GLU OE2 O 6.105 -4.942 -8.473 1.00 . A A . 27 GLU OE2 1 1 4 3111 1 1 28 TRP C C 0.988 -2.063 -3.799 1.00 . A A . 28 TRP C 1 1 4 3112 1 1 28 TRP CA C 0.787 -1.176 -5.007 1.00 . A A . 28 TRP CA 1 1 4 3113 1 1 28 TRP CB C -0.688 -1.119 -5.335 1.00 . A A . 28 TRP CB 1 1 4 3114 1 1 28 TRP CD1 C -1.116 0.032 -7.598 1.00 . A A . 28 TRP CD1 1 1 4 3115 1 1 28 TRP CD2 C -1.663 1.233 -5.808 1.00 . A A . 28 TRP CD2 1 1 4 3116 1 1 28 TRP CE2 C -1.968 1.966 -6.948 1.00 . A A . 28 TRP CE2 1 1 4 3117 1 1 28 TRP CE3 C -1.911 1.790 -4.572 1.00 . A A . 28 TRP CE3 1 1 4 3118 1 1 28 TRP CG C -1.120 -0.006 -6.232 1.00 . A A . 28 TRP CG 1 1 4 3119 1 1 28 TRP CH2 C -2.756 3.739 -5.669 1.00 . A A . 28 TRP CH2 1 1 4 3120 1 1 28 TRP CZ2 C -2.517 3.227 -6.891 1.00 . A A . 28 TRP CZ2 1 1 4 3121 1 1 28 TRP CZ3 C -2.459 3.037 -4.517 1.00 . A A . 28 TRP CZ3 1 1 4 3122 1 1 28 TRP H H 1.226 -2.512 -6.404 1.00 . A A . 28 TRP H 1 1 4 3123 1 1 28 TRP HA H 1.118 -0.174 -4.777 1.00 . A A . 28 TRP HA 1 1 4 3124 1 1 28 TRP HB2 H -1.003 -2.045 -5.790 1.00 . A A . 28 TRP HB2 1 1 4 3125 1 1 28 TRP HB3 H -1.188 -1.005 -4.390 1.00 . A A . 28 TRP HB3 1 1 4 3126 1 1 28 TRP HD1 H -0.774 -0.730 -8.277 1.00 . A A . 28 TRP HD1 1 1 4 3127 1 1 28 TRP HE1 H -1.765 1.491 -8.948 1.00 . A A . 28 TRP HE1 1 1 4 3128 1 1 28 TRP HE3 H -1.682 1.245 -3.669 1.00 . A A . 28 TRP HE3 1 1 4 3129 1 1 28 TRP HH2 H -3.194 4.718 -5.574 1.00 . A A . 28 TRP HH2 1 1 4 3130 1 1 28 TRP HZ2 H -2.754 3.779 -7.785 1.00 . A A . 28 TRP HZ2 1 1 4 3131 1 1 28 TRP HZ3 H -2.676 3.509 -3.573 1.00 . A A . 28 TRP HZ3 1 1 4 3132 1 1 28 TRP N N 1.538 -1.626 -6.131 1.00 . A A . 28 TRP N 1 1 4 3133 1 1 28 TRP NE1 N -1.640 1.211 -8.018 1.00 . A A . 28 TRP NE1 1 1 4 3134 1 1 28 TRP O O 1.071 -3.293 -3.917 1.00 . A A . 28 TRP O 1 1 4 3135 1 1 29 PHE C C 0.263 -1.600 -0.287 1.00 . A A . 29 PHE C 1 1 4 3136 1 1 29 PHE CA C 1.204 -2.102 -1.363 1.00 . A A . 29 PHE CA 1 1 4 3137 1 1 29 PHE CB C 2.646 -2.090 -0.833 1.00 . A A . 29 PHE CB 1 1 4 3138 1 1 29 PHE CD1 C 3.731 0.117 -0.989 1.00 . A A . 29 PHE CD1 1 1 4 3139 1 1 29 PHE CD2 C 4.362 -1.538 -2.554 1.00 . A A . 29 PHE CD2 1 1 4 3140 1 1 29 PHE CE1 C 4.615 0.982 -1.548 1.00 . A A . 29 PHE CE1 1 1 4 3141 1 1 29 PHE CE2 C 5.243 -0.678 -3.120 1.00 . A A . 29 PHE CE2 1 1 4 3142 1 1 29 PHE CG C 3.588 -1.145 -1.472 1.00 . A A . 29 PHE CG 1 1 4 3143 1 1 29 PHE CZ C 5.368 0.589 -2.617 1.00 . A A . 29 PHE CZ 1 1 4 3144 1 1 29 PHE H H 1.021 -0.446 -2.717 1.00 . A A . 29 PHE H 1 1 4 3145 1 1 29 PHE HA H 0.945 -3.134 -1.550 1.00 . A A . 29 PHE HA 1 1 4 3146 1 1 29 PHE HB2 H 2.565 -1.760 0.190 1.00 . A A . 29 PHE HB2 1 1 4 3147 1 1 29 PHE HB3 H 3.084 -3.066 -0.794 1.00 . A A . 29 PHE HB3 1 1 4 3148 1 1 29 PHE HD1 H 3.134 0.433 -0.150 1.00 . A A . 29 PHE HD1 1 1 4 3149 1 1 29 PHE HD2 H 4.269 -2.535 -2.959 1.00 . A A . 29 PHE HD2 1 1 4 3150 1 1 29 PHE HE1 H 4.711 1.981 -1.150 1.00 . A A . 29 PHE HE1 1 1 4 3151 1 1 29 PHE HE2 H 5.837 -0.997 -3.963 1.00 . A A . 29 PHE HE2 1 1 4 3152 1 1 29 PHE HZ H 6.069 1.272 -3.067 1.00 . A A . 29 PHE HZ 1 1 4 3153 1 1 29 PHE N N 1.055 -1.429 -2.649 1.00 . A A . 29 PHE N 1 1 4 3154 1 1 29 PHE O O -0.437 -0.645 -0.466 1.00 . A A . 29 PHE O 1 1 4 3155 1 1 30 HIS C C 0.444 -1.082 2.833 1.00 . A A . 30 HIS C 1 1 4 3156 1 1 30 HIS CA C -0.496 -1.896 1.988 1.00 . A A . 30 HIS CA 1 1 4 3157 1 1 30 HIS CB C -0.970 -3.084 2.827 1.00 . A A . 30 HIS CB 1 1 4 3158 1 1 30 HIS CD2 C -3.243 -4.084 2.099 1.00 . A A . 30 HIS CD2 1 1 4 3159 1 1 30 HIS CE1 C -2.498 -5.936 1.167 1.00 . A A . 30 HIS CE1 1 1 4 3160 1 1 30 HIS CG C -1.899 -4.050 2.157 1.00 . A A . 30 HIS CG 1 1 4 3161 1 1 30 HIS H H 0.823 -3.093 0.661 1.00 . A A . 30 HIS H 1 1 4 3162 1 1 30 HIS HA H -1.339 -1.301 1.664 1.00 . A A . 30 HIS HA 1 1 4 3163 1 1 30 HIS HB2 H -0.103 -3.652 3.128 1.00 . A A . 30 HIS HB2 1 1 4 3164 1 1 30 HIS HB3 H -1.448 -2.697 3.719 1.00 . A A . 30 HIS HB3 1 1 4 3165 1 1 30 HIS HD2 H -3.918 -3.329 2.475 1.00 . A A . 30 HIS HD2 1 1 4 3166 1 1 30 HIS HE1 H -2.451 -6.945 0.772 1.00 . A A . 30 HIS HE1 1 1 4 3167 1 1 30 HIS HE2 H -4.413 -5.331 0.933 1.00 . A A . 30 HIS HE2 1 1 4 3168 1 1 30 HIS N N 0.250 -2.315 0.824 1.00 . A A . 30 HIS N 1 1 4 3169 1 1 30 HIS ND1 N -1.466 -5.222 1.553 1.00 . A A . 30 HIS ND1 1 1 4 3170 1 1 30 HIS NE2 N -3.602 -5.265 1.475 1.00 . A A . 30 HIS NE2 1 1 4 3171 1 1 30 HIS O O 1.580 -1.477 2.994 1.00 . A A . 30 HIS O 1 1 4 3172 1 1 31 GLN C C 1.434 0.104 5.332 1.00 . A A . 31 GLN C 1 1 4 3173 1 1 31 GLN CA C 0.754 0.901 4.237 1.00 . A A . 31 GLN CA 1 1 4 3174 1 1 31 GLN CB C -0.202 1.884 4.872 1.00 . A A . 31 GLN CB 1 1 4 3175 1 1 31 GLN CD C -0.337 4.015 3.510 1.00 . A A . 31 GLN CD 1 1 4 3176 1 1 31 GLN CG C -0.969 2.694 3.855 1.00 . A A . 31 GLN CG 1 1 4 3177 1 1 31 GLN H H -0.937 0.378 3.291 1.00 . A A . 31 GLN H 1 1 4 3178 1 1 31 GLN HA H 1.461 1.448 3.633 1.00 . A A . 31 GLN HA 1 1 4 3179 1 1 31 GLN HB2 H -0.900 1.351 5.504 1.00 . A A . 31 GLN HB2 1 1 4 3180 1 1 31 GLN HB3 H 0.392 2.562 5.466 1.00 . A A . 31 GLN HB3 1 1 4 3181 1 1 31 GLN HE21 H -1.135 3.983 1.690 1.00 . A A . 31 GLN HE21 1 1 4 3182 1 1 31 GLN HE22 H -0.157 5.345 2.095 1.00 . A A . 31 GLN HE22 1 1 4 3183 1 1 31 GLN HG2 H -0.794 2.072 2.981 1.00 . A A . 31 GLN HG2 1 1 4 3184 1 1 31 GLN HG3 H -2.016 2.791 4.098 1.00 . A A . 31 GLN HG3 1 1 4 3185 1 1 31 GLN N N -0.029 0.027 3.383 1.00 . A A . 31 GLN N 1 1 4 3186 1 1 31 GLN NE2 N -0.572 4.488 2.316 1.00 . A A . 31 GLN NE2 1 1 4 3187 1 1 31 GLN O O 2.616 0.140 5.466 1.00 . A A . 31 GLN O 1 1 4 3188 1 1 31 GLN OE1 O 0.324 4.617 4.327 1.00 . A A . 31 GLN OE1 1 1 4 3189 1 1 32 VAL C C 2.078 -2.590 6.815 1.00 . A A . 32 VAL C 1 1 4 3190 1 1 32 VAL CA C 1.178 -1.404 7.199 1.00 . A A . 32 VAL CA 1 1 4 3191 1 1 32 VAL CB C 0.080 -1.874 8.167 1.00 . A A . 32 VAL CB 1 1 4 3192 1 1 32 VAL CG1 C -0.755 -0.699 8.639 1.00 . A A . 32 VAL CG1 1 1 4 3193 1 1 32 VAL CG2 C -0.811 -2.966 7.574 1.00 . A A . 32 VAL CG2 1 1 4 3194 1 1 32 VAL H H -0.276 -0.694 5.768 1.00 . A A . 32 VAL H 1 1 4 3195 1 1 32 VAL HA H 1.806 -0.705 7.737 1.00 . A A . 32 VAL HA 1 1 4 3196 1 1 32 VAL HB H 0.654 -2.290 8.978 1.00 . A A . 32 VAL HB 1 1 4 3197 1 1 32 VAL HG11 H -0.127 0.028 9.130 1.00 . A A . 32 VAL HG11 1 1 4 3198 1 1 32 VAL HG12 H -1.525 -1.051 9.310 1.00 . A A . 32 VAL HG12 1 1 4 3199 1 1 32 VAL HG13 H -1.207 -0.267 7.757 1.00 . A A . 32 VAL HG13 1 1 4 3200 1 1 32 VAL HG21 H -0.205 -3.828 7.330 1.00 . A A . 32 VAL HG21 1 1 4 3201 1 1 32 VAL HG22 H -1.300 -2.597 6.685 1.00 . A A . 32 VAL HG22 1 1 4 3202 1 1 32 VAL HG23 H -1.553 -3.252 8.305 1.00 . A A . 32 VAL HG23 1 1 4 3203 1 1 32 VAL N N 0.658 -0.660 6.063 1.00 . A A . 32 VAL N 1 1 4 3204 1 1 32 VAL O O 3.069 -2.863 7.486 1.00 . A A . 32 VAL O 1 1 4 3205 1 1 33 CYS C C 3.835 -4.182 4.805 1.00 . A A . 33 CYS C 1 1 4 3206 1 1 33 CYS CA C 2.431 -4.513 5.327 1.00 . A A . 33 CYS CA 1 1 4 3207 1 1 33 CYS CB C 1.658 -5.296 4.277 1.00 . A A . 33 CYS CB 1 1 4 3208 1 1 33 CYS H H 0.884 -3.034 5.292 1.00 . A A . 33 CYS H 1 1 4 3209 1 1 33 CYS HA H 2.546 -5.125 6.206 1.00 . A A . 33 CYS HA 1 1 4 3210 1 1 33 CYS HB2 H 1.860 -6.346 4.290 1.00 . A A . 33 CYS HB2 1 1 4 3211 1 1 33 CYS HB3 H 0.606 -5.170 4.451 1.00 . A A . 33 CYS HB3 1 1 4 3212 1 1 33 CYS N N 1.704 -3.303 5.743 1.00 . A A . 33 CYS N 1 1 4 3213 1 1 33 CYS O O 4.704 -5.057 4.737 1.00 . A A . 33 CYS O 1 1 4 3214 1 1 33 CYS SG S 1.850 -4.689 2.658 1.00 . A A . 33 CYS SG 1 1 4 3215 1 1 34 VAL C C 5.924 -1.612 5.028 1.00 . A A . 34 VAL C 1 1 4 3216 1 1 34 VAL CA C 5.296 -2.569 3.981 1.00 . A A . 34 VAL CA 1 1 4 3217 1 1 34 VAL CB C 5.139 -1.930 2.564 1.00 . A A . 34 VAL CB 1 1 4 3218 1 1 34 VAL CG1 C 4.504 -0.544 2.535 1.00 . A A . 34 VAL CG1 1 1 4 3219 1 1 34 VAL CG2 C 6.400 -1.978 1.853 1.00 . A A . 34 VAL CG2 1 1 4 3220 1 1 34 VAL H H 3.425 -2.227 4.645 1.00 . A A . 34 VAL H 1 1 4 3221 1 1 34 VAL HA H 5.901 -3.459 3.907 1.00 . A A . 34 VAL HA 1 1 4 3222 1 1 34 VAL HB H 4.441 -2.552 2.020 1.00 . A A . 34 VAL HB 1 1 4 3223 1 1 34 VAL HG11 H 4.508 -0.196 1.508 1.00 . A A . 34 VAL HG11 1 1 4 3224 1 1 34 VAL HG12 H 5.103 0.124 3.132 1.00 . A A . 34 VAL HG12 1 1 4 3225 1 1 34 VAL HG13 H 3.487 -0.516 2.915 1.00 . A A . 34 VAL HG13 1 1 4 3226 1 1 34 VAL HG21 H 6.286 -1.526 0.883 1.00 . A A . 34 VAL HG21 1 1 4 3227 1 1 34 VAL HG22 H 6.600 -3.036 1.787 1.00 . A A . 34 VAL HG22 1 1 4 3228 1 1 34 VAL HG23 H 7.091 -1.466 2.502 1.00 . A A . 34 VAL HG23 1 1 4 3229 1 1 34 VAL N N 4.063 -2.925 4.454 1.00 . A A . 34 VAL N 1 1 4 3230 1 1 34 VAL O O 7.151 -1.535 5.169 1.00 . A A . 34 VAL O 1 1 4 3231 1 1 35 GLY C C 5.582 1.287 6.755 1.00 . A A . 35 GLY C 1 1 4 3232 1 1 35 GLY CA C 5.486 -0.223 6.992 1.00 . A A . 35 GLY CA 1 1 4 3233 1 1 35 GLY H H 4.401 -0.486 5.153 1.00 . A A . 35 GLY H 1 1 4 3234 1 1 35 GLY HA2 H 4.789 -0.415 7.798 1.00 . A A . 35 GLY HA2 1 1 4 3235 1 1 35 GLY HA3 H 6.464 -0.602 7.251 1.00 . A A . 35 GLY HA3 1 1 4 3236 1 1 35 GLY N N 5.025 -0.892 5.773 1.00 . A A . 35 GLY N 1 1 4 3237 1 1 35 GLY O O 6.596 1.933 7.019 1.00 . A A . 35 GLY O 1 1 4 3238 1 1 36 VAL C C 3.485 4.002 6.843 1.00 . A A . 36 VAL C 1 1 4 3239 1 1 36 VAL CA C 4.382 3.231 5.871 1.00 . A A . 36 VAL CA 1 1 4 3240 1 1 36 VAL CB C 3.626 3.375 4.516 1.00 . A A . 36 VAL CB 1 1 4 3241 1 1 36 VAL CG1 C 3.408 4.766 4.170 1.00 . A A . 36 VAL CG1 1 1 4 3242 1 1 36 VAL CG2 C 4.274 2.734 3.376 1.00 . A A . 36 VAL CG2 1 1 4 3243 1 1 36 VAL H H 3.773 1.154 6.353 1.00 . A A . 36 VAL H 1 1 4 3244 1 1 36 VAL HA H 5.360 3.680 5.759 1.00 . A A . 36 VAL HA 1 1 4 3245 1 1 36 VAL HB H 2.652 2.929 4.642 1.00 . A A . 36 VAL HB 1 1 4 3246 1 1 36 VAL HG11 H 4.287 5.196 3.717 1.00 . A A . 36 VAL HG11 1 1 4 3247 1 1 36 VAL HG12 H 3.181 5.242 5.117 1.00 . A A . 36 VAL HG12 1 1 4 3248 1 1 36 VAL HG13 H 2.554 4.741 3.509 1.00 . A A . 36 VAL HG13 1 1 4 3249 1 1 36 VAL HG21 H 4.046 1.680 3.329 1.00 . A A . 36 VAL HG21 1 1 4 3250 1 1 36 VAL HG22 H 5.323 2.973 3.315 1.00 . A A . 36 VAL HG22 1 1 4 3251 1 1 36 VAL HG23 H 3.792 3.281 2.567 1.00 . A A . 36 VAL HG23 1 1 4 3252 1 1 36 VAL N N 4.478 1.831 6.254 1.00 . A A . 36 VAL N 1 1 4 3253 1 1 36 VAL O O 2.279 3.734 6.918 1.00 . A A . 36 VAL O 1 1 4 3254 1 1 37 SER C C 2.416 6.671 7.209 1.00 . A A . 37 SER C 1 1 4 3255 1 1 37 SER CA C 3.253 5.944 8.268 1.00 . A A . 37 SER CA 1 1 4 3256 1 1 37 SER CB C 4.167 6.945 8.956 1.00 . A A . 37 SER CB 1 1 4 3257 1 1 37 SER H H 4.636 4.410 8.304 1.00 . A A . 37 SER H 1 1 4 3258 1 1 37 SER HA H 2.602 5.512 9.012 1.00 . A A . 37 SER HA 1 1 4 3259 1 1 37 SER HB2 H 4.710 7.501 8.209 1.00 . A A . 37 SER HB2 1 1 4 3260 1 1 37 SER HB3 H 3.555 7.625 9.528 1.00 . A A . 37 SER HB3 1 1 4 3261 1 1 37 SER HG H 5.954 6.361 9.439 1.00 . A A . 37 SER HG 1 1 4 3262 1 1 37 SER N N 4.076 4.854 7.690 1.00 . A A . 37 SER N 1 1 4 3263 1 1 37 SER O O 2.929 7.033 6.147 1.00 . A A . 37 SER O 1 1 4 3264 1 1 37 SER OG O 5.080 6.288 9.837 1.00 . A A . 37 SER OG 1 1 4 3265 1 1 38 PRO C C 0.753 8.845 6.019 1.00 . A A . 38 PRO C 1 1 4 3266 1 1 38 PRO CA C 0.157 7.578 6.628 1.00 . A A . 38 PRO CA 1 1 4 3267 1 1 38 PRO CB C -0.962 7.942 7.587 1.00 . A A . 38 PRO CB 1 1 4 3268 1 1 38 PRO CD C 0.458 6.433 8.759 1.00 . A A . 38 PRO CD 1 1 4 3269 1 1 38 PRO CG C -0.980 6.816 8.556 1.00 . A A . 38 PRO CG 1 1 4 3270 1 1 38 PRO HA H -0.220 6.933 5.849 1.00 . A A . 38 PRO HA 1 1 4 3271 1 1 38 PRO HB2 H -0.728 8.885 8.059 1.00 . A A . 38 PRO HB2 1 1 4 3272 1 1 38 PRO HB3 H -1.897 8.029 7.057 1.00 . A A . 38 PRO HB3 1 1 4 3273 1 1 38 PRO HD2 H 0.888 6.938 9.615 1.00 . A A . 38 PRO HD2 1 1 4 3274 1 1 38 PRO HD3 H 0.539 5.361 8.867 1.00 . A A . 38 PRO HD3 1 1 4 3275 1 1 38 PRO HG2 H -1.437 7.137 9.479 1.00 . A A . 38 PRO HG2 1 1 4 3276 1 1 38 PRO HG3 H -1.534 5.990 8.136 1.00 . A A . 38 PRO HG3 1 1 4 3277 1 1 38 PRO N N 1.115 6.882 7.509 1.00 . A A . 38 PRO N 1 1 4 3278 1 1 38 PRO O O 0.698 9.052 4.808 1.00 . A A . 38 PRO O 1 1 4 3279 1 1 39 GLU C C 3.093 10.625 5.412 1.00 . A A . 39 GLU C 1 1 4 3280 1 1 39 GLU CA C 1.997 10.897 6.418 1.00 . A A . 39 GLU CA 1 1 4 3281 1 1 39 GLU CB C 2.570 11.683 7.582 1.00 . A A . 39 GLU CB 1 1 4 3282 1 1 39 GLU CD C 0.495 13.047 7.956 1.00 . A A . 39 GLU CD 1 1 4 3283 1 1 39 GLU CG C 1.541 12.148 8.581 1.00 . A A . 39 GLU CG 1 1 4 3284 1 1 39 GLU H H 1.373 9.508 7.830 1.00 . A A . 39 GLU H 1 1 4 3285 1 1 39 GLU HA H 1.234 11.498 5.944 1.00 . A A . 39 GLU HA 1 1 4 3286 1 1 39 GLU HB2 H 3.281 11.049 8.091 1.00 . A A . 39 GLU HB2 1 1 4 3287 1 1 39 GLU HB3 H 3.080 12.549 7.188 1.00 . A A . 39 GLU HB3 1 1 4 3288 1 1 39 GLU HG2 H 1.049 11.274 8.977 1.00 . A A . 39 GLU HG2 1 1 4 3289 1 1 39 GLU HG3 H 2.053 12.680 9.369 1.00 . A A . 39 GLU HG3 1 1 4 3290 1 1 39 GLU N N 1.373 9.672 6.865 1.00 . A A . 39 GLU N 1 1 4 3291 1 1 39 GLU O O 3.238 11.363 4.457 1.00 . A A . 39 GLU O 1 1 4 3292 1 1 39 GLU OE1 O 0.809 14.222 7.654 1.00 . A A . 39 GLU OE1 1 1 4 3293 1 1 39 GLU OE2 O -0.649 12.594 7.777 1.00 . A A . 39 GLU OE2 1 1 4 3294 1 1 40 MET C C 4.425 8.992 3.276 1.00 . A A . 40 MET C 1 1 4 3295 1 1 40 MET CA C 4.917 9.198 4.694 1.00 . A A . 40 MET CA 1 1 4 3296 1 1 40 MET CB C 5.736 7.968 5.191 1.00 . A A . 40 MET CB 1 1 4 3297 1 1 40 MET CE C 8.754 8.687 4.442 1.00 . A A . 40 MET CE 1 1 4 3298 1 1 40 MET CG C 6.702 8.278 6.309 1.00 . A A . 40 MET CG 1 1 4 3299 1 1 40 MET H H 3.646 8.936 6.346 1.00 . A A . 40 MET H 1 1 4 3300 1 1 40 MET HA H 5.576 10.054 4.674 1.00 . A A . 40 MET HA 1 1 4 3301 1 1 40 MET HB2 H 5.092 7.190 5.595 1.00 . A A . 40 MET HB2 1 1 4 3302 1 1 40 MET HB3 H 6.304 7.563 4.369 1.00 . A A . 40 MET HB3 1 1 4 3303 1 1 40 MET HE1 H 9.555 9.313 4.078 1.00 . A A . 40 MET HE1 1 1 4 3304 1 1 40 MET HE2 H 8.039 8.514 3.651 1.00 . A A . 40 MET HE2 1 1 4 3305 1 1 40 MET HE3 H 9.146 7.738 4.779 1.00 . A A . 40 MET HE3 1 1 4 3306 1 1 40 MET HG2 H 6.150 8.661 7.155 1.00 . A A . 40 MET HG2 1 1 4 3307 1 1 40 MET HG3 H 7.202 7.365 6.596 1.00 . A A . 40 MET HG3 1 1 4 3308 1 1 40 MET N N 3.834 9.548 5.605 1.00 . A A . 40 MET N 1 1 4 3309 1 1 40 MET O O 4.959 9.573 2.353 1.00 . A A . 40 MET O 1 1 4 3310 1 1 40 MET SD S 7.950 9.499 5.829 1.00 . A A . 40 MET SD 1 1 4 3311 1 1 41 ALA C C 1.933 9.015 1.251 1.00 . A A . 41 ALA C 1 1 4 3312 1 1 41 ALA CA C 2.833 7.910 1.801 1.00 . A A . 41 ALA CA 1 1 4 3313 1 1 41 ALA CB C 2.074 6.642 1.816 1.00 . A A . 41 ALA CB 1 1 4 3314 1 1 41 ALA H H 3.002 7.773 3.922 1.00 . A A . 41 ALA H 1 1 4 3315 1 1 41 ALA HA H 3.662 7.792 1.123 1.00 . A A . 41 ALA HA 1 1 4 3316 1 1 41 ALA HB1 H 1.637 6.556 0.834 1.00 . A A . 41 ALA HB1 1 1 4 3317 1 1 41 ALA HB2 H 1.314 6.781 2.566 1.00 . A A . 41 ALA HB2 1 1 4 3318 1 1 41 ALA HB3 H 2.715 5.783 2.013 1.00 . A A . 41 ALA HB3 1 1 4 3319 1 1 41 ALA N N 3.390 8.196 3.125 1.00 . A A . 41 ALA N 1 1 4 3320 1 1 41 ALA O O 1.810 9.155 0.048 1.00 . A A . 41 ALA O 1 1 4 3321 1 1 42 GLU C C 1.002 12.112 1.375 1.00 . A A . 42 GLU C 1 1 4 3322 1 1 42 GLU CA C 0.337 10.771 1.608 1.00 . A A . 42 GLU CA 1 1 4 3323 1 1 42 GLU CB C -0.834 10.955 2.578 1.00 . A A . 42 GLU CB 1 1 4 3324 1 1 42 GLU CD C -2.874 10.049 3.712 1.00 . A A . 42 GLU CD 1 1 4 3325 1 1 42 GLU CG C -1.739 9.753 2.762 1.00 . A A . 42 GLU CG 1 1 4 3326 1 1 42 GLU H H 1.422 9.846 3.074 1.00 . A A . 42 GLU H 1 1 4 3327 1 1 42 GLU HA H -0.048 10.401 0.671 1.00 . A A . 42 GLU HA 1 1 4 3328 1 1 42 GLU HB2 H -0.413 11.153 3.552 1.00 . A A . 42 GLU HB2 1 1 4 3329 1 1 42 GLU HB3 H -1.431 11.795 2.260 1.00 . A A . 42 GLU HB3 1 1 4 3330 1 1 42 GLU HG2 H -2.161 9.480 1.806 1.00 . A A . 42 GLU HG2 1 1 4 3331 1 1 42 GLU HG3 H -1.166 8.922 3.149 1.00 . A A . 42 GLU HG3 1 1 4 3332 1 1 42 GLU N N 1.295 9.788 2.103 1.00 . A A . 42 GLU N 1 1 4 3333 1 1 42 GLU O O 0.403 13.023 0.808 1.00 . A A . 42 GLU O 1 1 4 3334 1 1 42 GLU OE1 O -3.912 10.576 3.262 1.00 . A A . 42 GLU OE1 1 1 4 3335 1 1 42 GLU OE2 O -2.746 9.775 4.921 1.00 . A A . 42 GLU OE2 1 1 4 3336 1 1 43 ASN C C 3.926 13.543 0.573 1.00 . A A . 43 ASN C 1 1 4 3337 1 1 43 ASN CA C 2.921 13.518 1.684 1.00 . A A . 43 ASN CA 1 1 4 3338 1 1 43 ASN CB C 3.583 13.964 2.991 1.00 . A A . 43 ASN CB 1 1 4 3339 1 1 43 ASN CG C 2.645 14.642 3.978 1.00 . A A . 43 ASN CG 1 1 4 3340 1 1 43 ASN H H 2.674 11.456 2.204 1.00 . A A . 43 ASN H 1 1 4 3341 1 1 43 ASN HA H 2.173 14.255 1.434 1.00 . A A . 43 ASN HA 1 1 4 3342 1 1 43 ASN HB2 H 4.000 13.092 3.471 1.00 . A A . 43 ASN HB2 1 1 4 3343 1 1 43 ASN HB3 H 4.385 14.624 2.724 1.00 . A A . 43 ASN HB3 1 1 4 3344 1 1 43 ASN HD21 H 2.234 12.918 4.786 1.00 . A A . 43 ASN HD21 1 1 4 3345 1 1 43 ASN HD22 H 1.433 14.269 5.521 1.00 . A A . 43 ASN HD22 1 1 4 3346 1 1 43 ASN N N 2.225 12.241 1.812 1.00 . A A . 43 ASN N 1 1 4 3347 1 1 43 ASN ND2 N 2.037 13.878 4.849 1.00 . A A . 43 ASN ND2 1 1 4 3348 1 1 43 ASN O O 3.932 14.468 -0.245 1.00 . A A . 43 ASN O 1 1 4 3349 1 1 43 ASN OD1 O 2.497 15.867 3.963 1.00 . A A . 43 ASN OD1 1 1 4 3350 1 1 44 GLU C C 5.891 11.200 -1.112 1.00 . A A . 44 GLU C 1 1 4 3351 1 1 44 GLU CA C 5.842 12.532 -0.440 1.00 . A A . 44 GLU CA 1 1 4 3352 1 1 44 GLU CB C 7.188 12.802 0.256 1.00 . A A . 44 GLU CB 1 1 4 3353 1 1 44 GLU CD C 8.552 14.364 1.712 1.00 . A A . 44 GLU CD 1 1 4 3354 1 1 44 GLU CG C 7.265 14.155 0.946 1.00 . A A . 44 GLU CG 1 1 4 3355 1 1 44 GLU H H 4.692 11.785 1.124 1.00 . A A . 44 GLU H 1 1 4 3356 1 1 44 GLU HA H 5.680 13.308 -1.175 1.00 . A A . 44 GLU HA 1 1 4 3357 1 1 44 GLU HB2 H 7.332 12.025 0.993 1.00 . A A . 44 GLU HB2 1 1 4 3358 1 1 44 GLU HB3 H 7.978 12.738 -0.478 1.00 . A A . 44 GLU HB3 1 1 4 3359 1 1 44 GLU HG2 H 7.168 14.927 0.196 1.00 . A A . 44 GLU HG2 1 1 4 3360 1 1 44 GLU HG3 H 6.428 14.213 1.624 1.00 . A A . 44 GLU HG3 1 1 4 3361 1 1 44 GLU N N 4.772 12.558 0.526 1.00 . A A . 44 GLU N 1 1 4 3362 1 1 44 GLU O O 5.397 10.214 -0.563 1.00 . A A . 44 GLU O 1 1 4 3363 1 1 44 GLU OE1 O 9.545 14.862 1.119 1.00 . A A . 44 GLU OE1 1 1 4 3364 1 1 44 GLU OE2 O 8.590 14.065 2.917 1.00 . A A . 44 GLU OE2 1 1 4 3365 1 1 45 ASP C C 7.242 8.876 -2.269 1.00 . A A . 45 ASP C 1 1 4 3366 1 1 45 ASP CA C 6.680 9.981 -3.131 1.00 . A A . 45 ASP CA 1 1 4 3367 1 1 45 ASP CB C 7.712 10.298 -4.233 1.00 . A A . 45 ASP CB 1 1 4 3368 1 1 45 ASP CG C 7.329 11.465 -5.109 1.00 . A A . 45 ASP CG 1 1 4 3369 1 1 45 ASP H H 6.669 12.018 -2.802 1.00 . A A . 45 ASP H 1 1 4 3370 1 1 45 ASP HA H 5.759 9.661 -3.597 1.00 . A A . 45 ASP HA 1 1 4 3371 1 1 45 ASP HB2 H 8.670 10.500 -3.779 1.00 . A A . 45 ASP HB2 1 1 4 3372 1 1 45 ASP HB3 H 7.824 9.424 -4.859 1.00 . A A . 45 ASP HB3 1 1 4 3373 1 1 45 ASP N N 6.444 11.195 -2.319 1.00 . A A . 45 ASP N 1 1 4 3374 1 1 45 ASP O O 8.246 9.078 -1.554 1.00 . A A . 45 ASP O 1 1 4 3375 1 1 45 ASP OD1 O 7.299 12.613 -4.610 1.00 . A A . 45 ASP OD1 1 1 4 3376 1 1 45 ASP OD2 O 7.091 11.267 -6.306 1.00 . A A . 45 ASP OD2 1 1 4 3377 1 1 46 TYR C C 7.734 5.532 -2.257 1.00 . A A . 46 TYR C 1 1 4 3378 1 1 46 TYR CA C 7.097 6.670 -1.486 1.00 . A A . 46 TYR CA 1 1 4 3379 1 1 46 TYR CB C 6.032 6.199 -0.491 1.00 . A A . 46 TYR CB 1 1 4 3380 1 1 46 TYR CD1 C 7.464 5.608 1.501 1.00 . A A . 46 TYR CD1 1 1 4 3381 1 1 46 TYR CD2 C 6.286 3.883 0.399 1.00 . A A . 46 TYR CD2 1 1 4 3382 1 1 46 TYR CE1 C 8.001 4.696 2.382 1.00 . A A . 46 TYR CE1 1 1 4 3383 1 1 46 TYR CE2 C 6.822 2.947 1.263 1.00 . A A . 46 TYR CE2 1 1 4 3384 1 1 46 TYR CG C 6.592 5.206 0.499 1.00 . A A . 46 TYR CG 1 1 4 3385 1 1 46 TYR CZ C 7.678 3.361 2.257 1.00 . A A . 46 TYR CZ 1 1 4 3386 1 1 46 TYR H H 5.939 7.564 -2.995 1.00 . A A . 46 TYR H 1 1 4 3387 1 1 46 TYR HA H 7.918 7.074 -0.912 1.00 . A A . 46 TYR HA 1 1 4 3388 1 1 46 TYR HB2 H 5.652 7.054 0.052 1.00 . A A . 46 TYR HB2 1 1 4 3389 1 1 46 TYR HB3 H 5.222 5.726 -1.028 1.00 . A A . 46 TYR HB3 1 1 4 3390 1 1 46 TYR HD1 H 7.713 6.657 1.593 1.00 . A A . 46 TYR HD1 1 1 4 3391 1 1 46 TYR HD2 H 5.601 3.627 -0.386 1.00 . A A . 46 TYR HD2 1 1 4 3392 1 1 46 TYR HE1 H 8.675 5.021 3.161 1.00 . A A . 46 TYR HE1 1 1 4 3393 1 1 46 TYR HE2 H 6.556 1.904 1.159 1.00 . A A . 46 TYR HE2 1 1 4 3394 1 1 46 TYR HH H 8.488 1.663 2.620 1.00 . A A . 46 TYR HH 1 1 4 3395 1 1 46 TYR N N 6.654 7.717 -2.332 1.00 . A A . 46 TYR N 1 1 4 3396 1 1 46 TYR O O 7.132 4.894 -3.113 1.00 . A A . 46 TYR O 1 1 4 3397 1 1 46 TYR OH O 8.218 2.433 3.126 1.00 . A A . 46 TYR OH 1 1 4 3398 1 1 47 ILE C C 9.799 3.068 -1.645 1.00 . A A . 47 ILE C 1 1 4 3399 1 1 47 ILE CA C 9.757 4.293 -2.566 1.00 . A A . 47 ILE CA 1 1 4 3400 1 1 47 ILE CB C 11.228 4.813 -2.867 1.00 . A A . 47 ILE CB 1 1 4 3401 1 1 47 ILE CD1 C 10.660 7.308 -3.414 1.00 . A A . 47 ILE CD1 1 1 4 3402 1 1 47 ILE CG1 C 11.248 5.992 -3.893 1.00 . A A . 47 ILE CG1 1 1 4 3403 1 1 47 ILE CG2 C 12.126 3.687 -3.367 1.00 . A A . 47 ILE CG2 1 1 4 3404 1 1 47 ILE H H 9.217 5.912 -1.222 1.00 . A A . 47 ILE H 1 1 4 3405 1 1 47 ILE HA H 9.282 3.999 -3.495 1.00 . A A . 47 ILE HA 1 1 4 3406 1 1 47 ILE HB H 11.638 5.166 -1.930 1.00 . A A . 47 ILE HB 1 1 4 3407 1 1 47 ILE HD11 H 10.688 8.035 -4.211 1.00 . A A . 47 ILE HD11 1 1 4 3408 1 1 47 ILE HD12 H 11.214 7.667 -2.561 1.00 . A A . 47 ILE HD12 1 1 4 3409 1 1 47 ILE HD13 H 9.627 7.143 -3.138 1.00 . A A . 47 ILE HD13 1 1 4 3410 1 1 47 ILE HG12 H 12.261 6.191 -4.209 1.00 . A A . 47 ILE HG12 1 1 4 3411 1 1 47 ILE HG13 H 10.675 5.684 -4.755 1.00 . A A . 47 ILE HG13 1 1 4 3412 1 1 47 ILE HG21 H 12.190 2.892 -2.636 1.00 . A A . 47 ILE HG21 1 1 4 3413 1 1 47 ILE HG22 H 13.114 4.073 -3.561 1.00 . A A . 47 ILE HG22 1 1 4 3414 1 1 47 ILE HG23 H 11.711 3.297 -4.283 1.00 . A A . 47 ILE HG23 1 1 4 3415 1 1 47 ILE N N 8.956 5.306 -1.943 1.00 . A A . 47 ILE N 1 1 4 3416 1 1 47 ILE O O 10.007 3.208 -0.440 1.00 . A A . 47 ILE O 1 1 4 3417 1 1 48 CYS C C 11.080 0.268 -1.215 1.00 . A A . 48 CYS C 1 1 4 3418 1 1 48 CYS CA C 9.615 0.673 -1.386 1.00 . A A . 48 CYS CA 1 1 4 3419 1 1 48 CYS CB C 8.809 -0.499 -2.016 1.00 . A A . 48 CYS CB 1 1 4 3420 1 1 48 CYS H H 9.384 1.806 -3.155 1.00 . A A . 48 CYS H 1 1 4 3421 1 1 48 CYS HA H 9.209 0.925 -0.419 1.00 . A A . 48 CYS HA 1 1 4 3422 1 1 48 CYS HB2 H 8.720 -1.226 -1.219 1.00 . A A . 48 CYS HB2 1 1 4 3423 1 1 48 CYS HB3 H 7.805 -0.190 -2.264 1.00 . A A . 48 CYS HB3 1 1 4 3424 1 1 48 CYS N N 9.570 1.876 -2.198 1.00 . A A . 48 CYS N 1 1 4 3425 1 1 48 CYS O O 11.938 0.780 -1.929 1.00 . A A . 48 CYS O 1 1 4 3426 1 1 48 CYS SG S 9.593 -1.366 -3.438 1.00 . A A . 48 CYS SG 1 1 4 3427 1 1 49 ILE C C 13.442 -1.713 -1.214 1.00 . A A . 49 ILE C 1 1 4 3428 1 1 49 ILE CA C 12.758 -1.044 -0.046 1.00 . A A . 49 ILE CA 1 1 4 3429 1 1 49 ILE CB C 12.843 -1.876 1.240 1.00 . A A . 49 ILE CB 1 1 4 3430 1 1 49 ILE CD1 C 12.825 -4.336 0.474 1.00 . A A . 49 ILE CD1 1 1 4 3431 1 1 49 ILE CG1 C 12.105 -3.187 1.168 1.00 . A A . 49 ILE CG1 1 1 4 3432 1 1 49 ILE CG2 C 12.257 -1.071 2.353 1.00 . A A . 49 ILE CG2 1 1 4 3433 1 1 49 ILE H H 10.757 -1.227 0.198 1.00 . A A . 49 ILE H 1 1 4 3434 1 1 49 ILE HA H 13.261 -0.120 0.160 1.00 . A A . 49 ILE HA 1 1 4 3435 1 1 49 ILE HB H 13.886 -2.051 1.458 1.00 . A A . 49 ILE HB 1 1 4 3436 1 1 49 ILE HD11 H 12.200 -5.216 0.507 1.00 . A A . 49 ILE HD11 1 1 4 3437 1 1 49 ILE HD12 H 13.758 -4.532 0.981 1.00 . A A . 49 ILE HD12 1 1 4 3438 1 1 49 ILE HD13 H 13.014 -4.074 -0.558 1.00 . A A . 49 ILE HD13 1 1 4 3439 1 1 49 ILE HG12 H 12.046 -3.349 2.222 1.00 . A A . 49 ILE HG12 1 1 4 3440 1 1 49 ILE HG13 H 11.115 -3.032 0.763 1.00 . A A . 49 ILE HG13 1 1 4 3441 1 1 49 ILE HG21 H 11.254 -0.879 2.003 1.00 . A A . 49 ILE HG21 1 1 4 3442 1 1 49 ILE HG22 H 12.803 -0.144 2.456 1.00 . A A . 49 ILE HG22 1 1 4 3443 1 1 49 ILE HG23 H 12.225 -1.642 3.269 1.00 . A A . 49 ILE HG23 1 1 4 3444 1 1 49 ILE N N 11.376 -0.680 -0.331 1.00 . A A . 49 ILE N 1 1 4 3445 1 1 49 ILE O O 14.649 -1.638 -1.380 1.00 . A A . 49 ILE O 1 1 4 3446 1 1 50 ASN C C 13.628 -2.074 -4.301 1.00 . A A . 50 ASN C 1 1 4 3447 1 1 50 ASN CA C 13.096 -3.039 -3.239 1.00 . A A . 50 ASN CA 1 1 4 3448 1 1 50 ASN CB C 11.954 -3.883 -3.833 1.00 . A A . 50 ASN CB 1 1 4 3449 1 1 50 ASN CG C 11.515 -5.024 -2.933 1.00 . A A . 50 ASN CG 1 1 4 3450 1 1 50 ASN H H 11.694 -2.232 -1.767 1.00 . A A . 50 ASN H 1 1 4 3451 1 1 50 ASN HA H 13.889 -3.700 -2.921 1.00 . A A . 50 ASN HA 1 1 4 3452 1 1 50 ASN HB2 H 11.104 -3.239 -3.992 1.00 . A A . 50 ASN HB2 1 1 4 3453 1 1 50 ASN HB3 H 12.269 -4.291 -4.782 1.00 . A A . 50 ASN HB3 1 1 4 3454 1 1 50 ASN HD21 H 12.771 -6.254 -3.844 1.00 . A A . 50 ASN HD21 1 1 4 3455 1 1 50 ASN HD22 H 11.864 -6.954 -2.585 1.00 . A A . 50 ASN HD22 1 1 4 3456 1 1 50 ASN N N 12.633 -2.319 -2.042 1.00 . A A . 50 ASN N 1 1 4 3457 1 1 50 ASN ND2 N 12.092 -6.176 -3.135 1.00 . A A . 50 ASN ND2 1 1 4 3458 1 1 50 ASN O O 14.449 -2.435 -5.145 1.00 . A A . 50 ASN O 1 1 4 3459 1 1 50 ASN OD1 O 10.646 -4.870 -2.068 1.00 . A A . 50 ASN OD1 1 1 4 3460 1 1 51 CYS C C 14.532 1.177 -4.611 1.00 . A A . 51 CYS C 1 1 4 3461 1 1 51 CYS CA C 13.550 0.164 -5.201 1.00 . A A . 51 CYS CA 1 1 4 3462 1 1 51 CYS CB C 12.310 0.893 -5.723 1.00 . A A . 51 CYS CB 1 1 4 3463 1 1 51 CYS H H 12.567 -0.643 -3.490 1.00 . A A . 51 CYS H 1 1 4 3464 1 1 51 CYS HA H 14.011 -0.345 -6.037 1.00 . A A . 51 CYS HA 1 1 4 3465 1 1 51 CYS HB2 H 11.763 1.294 -4.882 1.00 . A A . 51 CYS HB2 1 1 4 3466 1 1 51 CYS HB3 H 12.609 1.696 -6.377 1.00 . A A . 51 CYS HB3 1 1 4 3467 1 1 51 CYS N N 13.169 -0.843 -4.236 1.00 . A A . 51 CYS N 1 1 4 3468 1 1 51 CYS O O 14.908 2.145 -5.283 1.00 . A A . 51 CYS O 1 1 4 3469 1 1 51 CYS SG S 11.152 -0.138 -6.625 1.00 . A A . 51 CYS SG 1 1 4 3470 1 1 52 ALA C C 17.285 1.800 -3.281 1.00 . A A . 52 ALA C 1 1 4 3471 1 1 52 ALA CA C 15.869 1.923 -2.736 1.00 . A A . 52 ALA CA 1 1 4 3472 1 1 52 ALA CB C 15.860 1.730 -1.227 1.00 . A A . 52 ALA CB 1 1 4 3473 1 1 52 ALA H H 14.760 0.193 -2.816 1.00 . A A . 52 ALA H 1 1 4 3474 1 1 52 ALA HA H 15.503 2.911 -2.958 1.00 . A A . 52 ALA HA 1 1 4 3475 1 1 52 ALA HB1 H 16.487 2.475 -0.760 1.00 . A A . 52 ALA HB1 1 1 4 3476 1 1 52 ALA HB2 H 16.240 0.748 -0.988 1.00 . A A . 52 ALA HB2 1 1 4 3477 1 1 52 ALA HB3 H 14.855 1.837 -0.849 1.00 . A A . 52 ALA HB3 1 1 4 3478 1 1 52 ALA N N 14.968 0.968 -3.377 1.00 . A A . 52 ALA N 1 1 4 3479 2 2 1 ALA C C 1.316 8.903 -3.955 1.00 . B B . 301 ALA C 1 1 4 3480 2 2 1 ALA CA C 2.789 8.971 -3.557 1.00 . B B . 301 ALA CA 1 1 4 3481 2 2 1 ALA CB C 3.096 7.893 -2.525 1.00 . B B . 301 ALA CB 1 1 4 3482 2 2 1 ALA HA H 3.385 8.782 -4.435 1.00 . B B . 301 ALA HA 1 1 4 3483 2 2 1 ALA HB1 H 2.478 8.036 -1.650 1.00 . B B . 301 ALA HB1 1 1 4 3484 2 2 1 ALA HB2 H 4.141 7.940 -2.255 1.00 . B B . 301 ALA HB2 1 1 4 3485 2 2 1 ALA HB3 H 2.880 6.925 -2.957 1.00 . B B . 301 ALA HB3 1 1 4 3486 2 2 1 ALA N N 3.149 10.324 -3.040 1.00 . B B . 301 ALA N 1 1 4 3487 2 2 1 ALA O O 0.590 9.902 -3.919 1.00 . B B . 301 ALA O 1 1 4 3488 2 2 2 ARG C C -1.088 6.496 -3.802 1.00 . B B . 302 ARG C 1 1 4 3489 2 2 2 ARG CA C -0.501 7.557 -4.712 1.00 . B B . 302 ARG CA 1 1 4 3490 2 2 2 ARG CB C -0.608 7.165 -6.193 1.00 . B B . 302 ARG CB 1 1 4 3491 2 2 2 ARG CD C -1.995 6.944 -8.258 1.00 . B B . 302 ARG CD 1 1 4 3492 2 2 2 ARG CG C -2.017 7.201 -6.762 1.00 . B B . 302 ARG CG 1 1 4 3493 2 2 2 ARG CZ C -3.543 7.371 -10.159 1.00 . B B . 302 ARG CZ 1 1 4 3494 2 2 2 ARG H H 1.505 6.989 -4.421 1.00 . B B . 302 ARG H 1 1 4 3495 2 2 2 ARG HA H -1.021 8.489 -4.549 1.00 . B B . 302 ARG HA 1 1 4 3496 2 2 2 ARG HB2 H 0.013 7.825 -6.784 1.00 . B B . 302 ARG HB2 1 1 4 3497 2 2 2 ARG HB3 H -0.229 6.159 -6.295 1.00 . B B . 302 ARG HB3 1 1 4 3498 2 2 2 ARG HD2 H -1.360 7.680 -8.729 1.00 . B B . 302 ARG HD2 1 1 4 3499 2 2 2 ARG HD3 H -1.608 5.951 -8.426 1.00 . B B . 302 ARG HD3 1 1 4 3500 2 2 2 ARG HE H -4.080 6.853 -8.268 1.00 . B B . 302 ARG HE 1 1 4 3501 2 2 2 ARG HG2 H -2.609 6.452 -6.267 1.00 . B B . 302 ARG HG2 1 1 4 3502 2 2 2 ARG HG3 H -2.443 8.176 -6.580 1.00 . B B . 302 ARG HG3 1 1 4 3503 2 2 2 ARG HH11 H -1.565 7.656 -10.641 1.00 . B B . 302 ARG HH11 1 1 4 3504 2 2 2 ARG HH12 H -2.652 7.903 -11.924 1.00 . B B . 302 ARG HH12 1 1 4 3505 2 2 2 ARG HH21 H -5.606 7.198 -10.119 1.00 . B B . 302 ARG HH21 1 1 4 3506 2 2 2 ARG HH22 H -4.960 7.662 -11.592 1.00 . B B . 302 ARG HH22 1 1 4 3507 2 2 2 ARG N N 0.874 7.739 -4.359 1.00 . B B . 302 ARG N 1 1 4 3508 2 2 2 ARG NE N -3.328 7.048 -8.870 1.00 . B B . 302 ARG NE 1 1 4 3509 2 2 2 ARG NH1 N -2.513 7.663 -10.960 1.00 . B B . 302 ARG NH1 1 1 4 3510 2 2 2 ARG NH2 N -4.772 7.405 -10.642 1.00 . B B . 302 ARG NH2 1 1 4 3511 2 2 2 ARG O O -0.585 5.389 -3.732 1.00 . B B . 302 ARG O 1 1 4 3512 2 2 3 THR C C -4.135 5.564 -2.519 1.00 . B B . 303 THR C 1 1 4 3513 2 2 3 THR CA C -2.711 5.940 -2.118 1.00 . B B . 303 THR CA 1 1 4 3514 2 2 3 THR CB C -2.725 6.609 -0.734 1.00 . B B . 303 THR CB 1 1 4 3515 2 2 3 THR CG2 C -1.327 6.673 -0.156 1.00 . B B . 303 THR CG2 1 1 4 3516 2 2 3 THR H H -2.507 7.734 -3.140 1.00 . B B . 303 THR H 1 1 4 3517 2 2 3 THR HA H -2.096 5.052 -2.055 1.00 . B B . 303 THR HA 1 1 4 3518 2 2 3 THR HB H -3.364 6.039 -0.076 1.00 . B B . 303 THR HB 1 1 4 3519 2 2 3 THR HG1 H -3.303 8.369 0.009 1.00 . B B . 303 THR HG1 1 1 4 3520 2 2 3 THR HG21 H -1.341 7.114 0.830 1.00 . B B . 303 THR HG21 1 1 4 3521 2 2 3 THR HG22 H -0.698 7.250 -0.819 1.00 . B B . 303 THR HG22 1 1 4 3522 2 2 3 THR HG23 H -0.966 5.655 -0.116 1.00 . B B . 303 THR HG23 1 1 4 3523 2 2 3 THR N N -2.109 6.841 -3.075 1.00 . B B . 303 THR N 1 1 4 3524 2 2 3 THR O O -4.724 6.186 -3.412 1.00 . B B . 303 THR O 1 1 4 3525 2 2 3 THR OG1 O -3.266 7.936 -0.854 1.00 . B B . 303 THR OG1 1 1 4 3526 2 2 4 . C C -6.692 3.428 -0.963 1.00 . B B . 304 M3L C 1 1 4 3527 2 2 4 . CA C -6.083 4.161 -2.136 1.00 . B B . 304 M3L CA 1 1 4 3528 2 2 4 . CB C -6.269 3.297 -3.421 1.00 . B B . 304 M3L CB 1 1 4 3529 2 2 4 . CD C -5.784 1.069 -4.572 1.00 . B B . 304 M3L CD 1 1 4 3530 2 2 4 . CE C -5.547 1.695 -5.904 1.00 . B B . 304 M3L CE 1 1 4 3531 2 2 4 . CG C -5.495 2.021 -3.410 1.00 . B B . 304 M3L CG 1 1 4 3532 2 2 4 . CM1 C -4.683 -0.459 -6.825 1.00 . B B . 304 M3L CM1 1 1 4 3533 2 2 4 . CM2 C -5.204 1.430 -8.278 1.00 . B B . 304 M3L CM2 1 1 4 3534 2 2 4 . CM3 C -6.970 0.146 -7.217 1.00 . B B . 304 M3L CM3 1 1 4 3535 2 2 4 . H H -4.154 4.080 -1.186 1.00 . B B . 304 M3L H 1 1 4 3536 2 2 4 . HA H -6.645 5.075 -2.258 1.00 . B B . 304 M3L HA 1 1 4 3537 2 2 4 . HB2 H -6.034 3.869 -4.307 1.00 . B B . 304 M3L HB2 1 1 4 3538 2 2 4 . HB3 H -7.303 2.987 -3.411 1.00 . B B . 304 M3L HB3 1 1 4 3539 2 2 4 . HD2 H -6.791 0.684 -4.517 1.00 . B B . 304 M3L HD2 1 1 4 3540 2 2 4 . HD3 H -5.048 0.279 -4.531 1.00 . B B . 304 M3L HD3 1 1 4 3541 2 2 4 . HE2 H -4.571 2.156 -5.893 1.00 . B B . 304 M3L HE2 1 1 4 3542 2 2 4 . HE3 H -6.310 2.450 -6.024 1.00 . B B . 304 M3L HE3 1 1 4 3543 2 2 4 . HG2 H -5.737 1.517 -2.484 1.00 . B B . 304 M3L HG2 1 1 4 3544 2 2 4 . HG3 H -4.447 2.268 -3.449 1.00 . B B . 304 M3L HG3 1 1 4 3545 2 2 4 . HM11 H -4.885 -1.061 -5.946 1.00 . B B . 304 M3L HM11 1 1 4 3546 2 2 4 . HM12 H -3.660 -0.116 -6.719 1.00 . B B . 304 M3L HM12 1 1 4 3547 2 2 4 . HM13 H -4.644 -1.139 -7.660 1.00 . B B . 304 M3L HM13 1 1 4 3548 2 2 4 . HM21 H -4.477 2.189 -8.022 1.00 . B B . 304 M3L HM21 1 1 4 3549 2 2 4 . HM22 H -6.024 1.943 -8.749 1.00 . B B . 304 M3L HM22 1 1 4 3550 2 2 4 . HM23 H -4.748 0.801 -9.025 1.00 . B B . 304 M3L HM23 1 1 4 3551 2 2 4 . HM31 H -7.342 0.293 -8.222 1.00 . B B . 304 M3L HM31 1 1 4 3552 2 2 4 . HM32 H -7.693 0.603 -6.560 1.00 . B B . 304 M3L HM32 1 1 4 3553 2 2 4 . HM33 H -7.027 -0.915 -7.022 1.00 . B B . 304 M3L HM33 1 1 4 3554 2 2 4 . N N -4.688 4.553 -1.872 1.00 . B B . 304 M3L N 1 1 4 3555 2 2 4 . NZ N -5.612 0.696 -7.049 1.00 . B B . 304 M3L NZ 1 1 4 3556 2 2 4 . O O -6.020 3.139 0.025 1.00 . B B . 304 M3L O 1 1 4 3557 2 2 5 GLN C C -9.737 1.528 -0.901 1.00 . B B . 305 GLN C 1 1 4 3558 2 2 5 GLN CA C -8.749 2.371 -0.160 1.00 . B B . 305 GLN CA 1 1 4 3559 2 2 5 GLN CB C -9.449 3.258 0.868 1.00 . B B . 305 GLN CB 1 1 4 3560 2 2 5 GLN CD C -9.357 4.411 3.087 1.00 . B B . 305 GLN CD 1 1 4 3561 2 2 5 GLN CG C -8.670 3.455 2.146 1.00 . B B . 305 GLN CG 1 1 4 3562 2 2 5 GLN H H -8.403 3.424 -1.939 1.00 . B B . 305 GLN H 1 1 4 3563 2 2 5 GLN HA H -8.063 1.710 0.349 1.00 . B B . 305 GLN HA 1 1 4 3564 2 2 5 GLN HB2 H -9.617 4.226 0.420 1.00 . B B . 305 GLN HB2 1 1 4 3565 2 2 5 GLN HB3 H -10.409 2.828 1.118 1.00 . B B . 305 GLN HB3 1 1 4 3566 2 2 5 GLN HE21 H -8.266 5.908 2.422 1.00 . B B . 305 GLN HE21 1 1 4 3567 2 2 5 GLN HE22 H -9.405 6.311 3.650 1.00 . B B . 305 GLN HE22 1 1 4 3568 2 2 5 GLN HG2 H -8.597 2.493 2.634 1.00 . B B . 305 GLN HG2 1 1 4 3569 2 2 5 GLN HG3 H -7.679 3.815 1.925 1.00 . B B . 305 GLN HG3 1 1 4 3570 2 2 5 GLN N N -7.955 3.129 -1.112 1.00 . B B . 305 GLN N 1 1 4 3571 2 2 5 GLN NE2 N -8.979 5.664 3.047 1.00 . B B . 305 GLN NE2 1 1 4 3572 2 2 5 GLN O O -10.720 2.034 -1.444 1.00 . B B . 305 GLN O 1 1 4 3573 2 2 5 GLN OE1 O -10.198 4.011 3.878 1.00 . B B . 305 GLN OE1 1 1 4 3574 2 2 6 THR C C -11.375 -1.222 -0.775 1.00 . B B . 306 THR C 1 1 4 3575 2 2 6 THR CA C -10.287 -0.660 -1.672 1.00 . B B . 306 THR CA 1 1 4 3576 2 2 6 THR CB C -9.439 -1.823 -2.200 1.00 . B B . 306 THR CB 1 1 4 3577 2 2 6 THR CG2 C -8.411 -1.336 -3.232 1.00 . B B . 306 THR CG2 1 1 4 3578 2 2 6 THR H H -8.670 -0.064 -0.474 1.00 . B B . 306 THR H 1 1 4 3579 2 2 6 THR HA H -10.732 -0.152 -2.513 1.00 . B B . 306 THR HA 1 1 4 3580 2 2 6 THR HB H -10.097 -2.548 -2.656 1.00 . B B . 306 THR HB 1 1 4 3581 2 2 6 THR HG1 H -9.428 -2.482 -0.379 1.00 . B B . 306 THR HG1 1 1 4 3582 2 2 6 THR HG21 H -7.727 -0.631 -2.780 1.00 . B B . 306 THR HG21 1 1 4 3583 2 2 6 THR HG22 H -8.907 -0.873 -4.073 1.00 . B B . 306 THR HG22 1 1 4 3584 2 2 6 THR HG23 H -7.818 -2.173 -3.575 1.00 . B B . 306 THR HG23 1 1 4 3585 2 2 6 THR N N -9.463 0.264 -0.954 1.00 . B B . 306 THR N 1 1 4 3586 2 2 6 THR O O -11.082 -1.692 0.336 1.00 . B B . 306 THR O 1 1 4 3587 2 2 6 THR OG1 O -8.774 -2.446 -1.089 1.00 . B B . 306 THR OG1 1 1 4 3588 2 2 7 ALA C C -14.064 -3.093 -1.100 1.00 . B B . 307 ALA C 1 1 4 3589 2 2 7 ALA CA C -13.717 -1.729 -0.520 1.00 . B B . 307 ALA CA 1 1 4 3590 2 2 7 ALA CB C -14.920 -0.785 -0.566 1.00 . B B . 307 ALA CB 1 1 4 3591 2 2 7 ALA H H -12.781 -0.746 -2.110 1.00 . B B . 307 ALA H 1 1 4 3592 2 2 7 ALA HA H -13.414 -1.862 0.511 1.00 . B B . 307 ALA HA 1 1 4 3593 2 2 7 ALA HB1 H -15.246 -0.649 -1.587 1.00 . B B . 307 ALA HB1 1 1 4 3594 2 2 7 ALA HB2 H -14.638 0.172 -0.144 1.00 . B B . 307 ALA HB2 1 1 4 3595 2 2 7 ALA HB3 H -15.725 -1.197 0.027 1.00 . B B . 307 ALA HB3 1 1 4 3596 2 2 7 ALA N N -12.599 -1.171 -1.242 1.00 . B B . 307 ALA N 1 1 4 3597 2 2 7 ALA O O -14.207 -3.241 -2.320 1.00 . B B . 307 ALA O 1 1 4 3598 2 2 8 ARG C C -14.774 -6.254 0.624 1.00 . B B . 308 ARG C 1 1 4 3599 2 2 8 ARG CA C -14.482 -5.439 -0.622 1.00 . B B . 308 ARG CA 1 1 4 3600 2 2 8 ARG CB C -13.331 -6.079 -1.430 1.00 . B B . 308 ARG CB 1 1 4 3601 2 2 8 ARG CD C -10.930 -6.746 -1.615 1.00 . B B . 308 ARG CD 1 1 4 3602 2 2 8 ARG CG C -11.980 -6.117 -0.722 1.00 . B B . 308 ARG CG 1 1 4 3603 2 2 8 ARG CZ C -10.284 -6.514 -4.012 1.00 . B B . 308 ARG CZ 1 1 4 3604 2 2 8 ARG H H -13.996 -3.902 0.721 1.00 . B B . 308 ARG H 1 1 4 3605 2 2 8 ARG HA H -15.374 -5.413 -1.236 1.00 . B B . 308 ARG HA 1 1 4 3606 2 2 8 ARG HB2 H -13.596 -7.097 -1.671 1.00 . B B . 308 ARG HB2 1 1 4 3607 2 2 8 ARG HB3 H -13.203 -5.535 -2.355 1.00 . B B . 308 ARG HB3 1 1 4 3608 2 2 8 ARG HD2 H -9.987 -6.751 -1.088 1.00 . B B . 308 ARG HD2 1 1 4 3609 2 2 8 ARG HD3 H -11.216 -7.760 -1.841 1.00 . B B . 308 ARG HD3 1 1 4 3610 2 2 8 ARG HE H -11.028 -5.055 -2.844 1.00 . B B . 308 ARG HE 1 1 4 3611 2 2 8 ARG HG2 H -11.661 -5.115 -0.475 1.00 . B B . 308 ARG HG2 1 1 4 3612 2 2 8 ARG HG3 H -12.070 -6.708 0.176 1.00 . B B . 308 ARG HG3 1 1 4 3613 2 2 8 ARG HH11 H -10.144 -8.467 -3.365 1.00 . B B . 308 ARG HH11 1 1 4 3614 2 2 8 ARG HH12 H -9.632 -8.199 -4.958 1.00 . B B . 308 ARG HH12 1 1 4 3615 2 2 8 ARG HH21 H -10.372 -4.759 -5.074 1.00 . B B . 308 ARG HH21 1 1 4 3616 2 2 8 ARG HH22 H -9.763 -6.113 -5.922 1.00 . B B . 308 ARG HH22 1 1 4 3617 2 2 8 ARG N N -14.156 -4.081 -0.241 1.00 . B B . 308 ARG N 1 1 4 3618 2 2 8 ARG NE N -10.765 -6.002 -2.875 1.00 . B B . 308 ARG NE 1 1 4 3619 2 2 8 ARG NH1 N -10.004 -7.811 -4.107 1.00 . B B . 308 ARG NH1 1 1 4 3620 2 2 8 ARG NH2 N -10.134 -5.735 -5.067 1.00 . B B . 308 ARG NH2 1 1 4 3621 2 2 8 ARG O O -14.709 -5.736 1.722 1.00 . B B . 308 ARG O 1 1 4 3622 2 2 9 LYS C C -14.623 -9.700 1.524 1.00 . B B . 309 LYS C 1 1 4 3623 2 2 9 LYS CA C -15.387 -8.382 1.611 1.00 . B B . 309 LYS CA 1 1 4 3624 2 2 9 LYS CB C -16.894 -8.628 1.781 1.00 . B B . 309 LYS CB 1 1 4 3625 2 2 9 LYS CD C -19.167 -7.640 2.268 1.00 . B B . 309 LYS CD 1 1 4 3626 2 2 9 LYS CE C -19.909 -6.359 2.632 1.00 . B B . 309 LYS CE 1 1 4 3627 2 2 9 LYS CG C -17.684 -7.366 2.111 1.00 . B B . 309 LYS CG 1 1 4 3628 2 2 9 LYS H H -15.219 -7.866 -0.455 1.00 . B B . 309 LYS H 1 1 4 3629 2 2 9 LYS HA H -15.031 -7.843 2.477 1.00 . B B . 309 LYS HA 1 1 4 3630 2 2 9 LYS HB2 H -17.289 -9.065 0.876 1.00 . B B . 309 LYS HB2 1 1 4 3631 2 2 9 LYS HB3 H -17.041 -9.331 2.585 1.00 . B B . 309 LYS HB3 1 1 4 3632 2 2 9 LYS HD2 H -19.565 -8.051 1.350 1.00 . B B . 309 LYS HD2 1 1 4 3633 2 2 9 LYS HD3 H -19.297 -8.361 3.062 1.00 . B B . 309 LYS HD3 1 1 4 3634 2 2 9 LYS HE2 H -19.509 -5.953 3.546 1.00 . B B . 309 LYS HE2 1 1 4 3635 2 2 9 LYS HE3 H -19.757 -5.639 1.845 1.00 . B B . 309 LYS HE3 1 1 4 3636 2 2 9 LYS HG2 H -17.314 -6.945 3.036 1.00 . B B . 309 LYS HG2 1 1 4 3637 2 2 9 LYS HG3 H -17.536 -6.657 1.312 1.00 . B B . 309 LYS HG3 1 1 4 3638 2 2 9 LYS HZ1 H -21.786 -6.891 1.916 1.00 . B B . 309 LYS HZ1 1 1 4 3639 2 2 9 LYS HZ2 H -21.804 -5.674 3.082 1.00 . B B . 309 LYS HZ2 1 1 4 3640 2 2 9 LYS HZ3 H -21.547 -7.279 3.546 1.00 . B B . 309 LYS HZ3 1 1 4 3641 2 2 9 LYS N N -15.122 -7.513 0.458 1.00 . B B . 309 LYS N 1 1 4 3642 2 2 9 LYS NZ N -21.354 -6.573 2.806 1.00 . B B . 309 LYS NZ 1 1 4 3643 3 3 1 ZN ZN ZN 9.197 -0.289 -5.438 1.00 . C A . 53 ZN ZN 1 1 4 3644 4 3 1 ZN ZN ZN 0.425 -5.798 1.247 1.00 . D A . 54 ZN ZN 1 1 5 3645 1 1 1 SER C C -5.272 -8.482 -0.974 1.00 . A A . 1 SER C 1 1 5 3646 1 1 1 SER CA C -6.748 -8.304 -1.394 1.00 . A A . 1 SER CA 1 1 5 3647 1 1 1 SER CB C -7.216 -9.434 -2.360 1.00 . A A . 1 SER CB 1 1 5 3648 1 1 1 SER HA H -7.335 -8.347 -0.489 1.00 . A A . 1 SER HA 1 1 5 3649 1 1 1 SER HB2 H -6.972 -10.394 -1.936 1.00 . A A . 1 SER HB2 1 1 5 3650 1 1 1 SER HB3 H -8.285 -9.364 -2.494 1.00 . A A . 1 SER HB3 1 1 5 3651 1 1 1 SER HG H -7.219 -9.017 -4.279 1.00 . A A . 1 SER HG 1 1 5 3652 1 1 1 SER N N -6.986 -6.971 -1.996 1.00 . A A . 1 SER N 1 1 5 3653 1 1 1 SER O O -4.919 -8.324 0.219 1.00 . A A . 1 SER O 1 1 5 3654 1 1 1 SER OG O -6.582 -9.345 -3.638 1.00 . A A . 1 SER OG 1 1 5 3655 1 1 2 VAL C C -2.272 -7.947 -2.589 1.00 . A A . 2 VAL C 1 1 5 3656 1 1 2 VAL CA C -3.012 -8.953 -1.726 1.00 . A A . 2 VAL CA 1 1 5 3657 1 1 2 VAL CB C -2.541 -10.375 -2.119 1.00 . A A . 2 VAL CB 1 1 5 3658 1 1 2 VAL CG1 C -1.078 -10.608 -1.715 1.00 . A A . 2 VAL CG1 1 1 5 3659 1 1 2 VAL CG2 C -3.449 -11.436 -1.536 1.00 . A A . 2 VAL CG2 1 1 5 3660 1 1 2 VAL H H -4.764 -8.848 -2.863 1.00 . A A . 2 VAL H 1 1 5 3661 1 1 2 VAL HA H -2.834 -8.793 -0.669 1.00 . A A . 2 VAL HA 1 1 5 3662 1 1 2 VAL HB H -2.582 -10.438 -3.196 1.00 . A A . 2 VAL HB 1 1 5 3663 1 1 2 VAL HG11 H -0.974 -10.465 -0.650 1.00 . A A . 2 VAL HG11 1 1 5 3664 1 1 2 VAL HG12 H -0.443 -9.893 -2.220 1.00 . A A . 2 VAL HG12 1 1 5 3665 1 1 2 VAL HG13 H -0.781 -11.615 -1.975 1.00 . A A . 2 VAL HG13 1 1 5 3666 1 1 2 VAL HG21 H -4.438 -11.342 -1.959 1.00 . A A . 2 VAL HG21 1 1 5 3667 1 1 2 VAL HG22 H -3.501 -11.302 -0.467 1.00 . A A . 2 VAL HG22 1 1 5 3668 1 1 2 VAL HG23 H -3.049 -12.414 -1.764 1.00 . A A . 2 VAL HG23 1 1 5 3669 1 1 2 VAL N N -4.422 -8.767 -1.943 1.00 . A A . 2 VAL N 1 1 5 3670 1 1 2 VAL O O -2.703 -7.647 -3.703 1.00 . A A . 2 VAL O 1 1 5 3671 1 1 3 CYS C C 0.951 -7.039 -2.998 1.00 . A A . 3 CYS C 1 1 5 3672 1 1 3 CYS CA C -0.440 -6.434 -2.796 1.00 . A A . 3 CYS CA 1 1 5 3673 1 1 3 CYS CB C -0.298 -5.189 -1.981 1.00 . A A . 3 CYS CB 1 1 5 3674 1 1 3 CYS H H -0.871 -7.721 -1.218 1.00 . A A . 3 CYS H 1 1 5 3675 1 1 3 CYS HA H -0.897 -6.222 -3.749 1.00 . A A . 3 CYS HA 1 1 5 3676 1 1 3 CYS HB2 H -0.113 -4.354 -2.642 1.00 . A A . 3 CYS HB2 1 1 5 3677 1 1 3 CYS HB3 H -1.191 -5.014 -1.400 1.00 . A A . 3 CYS HB3 1 1 5 3678 1 1 3 CYS N N -1.209 -7.413 -2.082 1.00 . A A . 3 CYS N 1 1 5 3679 1 1 3 CYS O O 1.216 -8.122 -2.468 1.00 . A A . 3 CYS O 1 1 5 3680 1 1 3 CYS SG S 1.081 -5.302 -0.871 1.00 . A A . 3 CYS SG 1 1 5 3681 1 1 4 ALA C C 4.225 -6.448 -2.980 1.00 . A A . 4 ALA C 1 1 5 3682 1 1 4 ALA CA C 3.131 -6.985 -3.912 1.00 . A A . 4 ALA CA 1 1 5 3683 1 1 4 ALA CB C 3.560 -6.795 -5.323 1.00 . A A . 4 ALA CB 1 1 5 3684 1 1 4 ALA H H 1.502 -5.480 -3.955 1.00 . A A . 4 ALA H 1 1 5 3685 1 1 4 ALA HA H 3.016 -8.047 -3.754 1.00 . A A . 4 ALA HA 1 1 5 3686 1 1 4 ALA HB1 H 4.467 -7.355 -5.476 1.00 . A A . 4 ALA HB1 1 1 5 3687 1 1 4 ALA HB2 H 3.743 -5.731 -5.404 1.00 . A A . 4 ALA HB2 1 1 5 3688 1 1 4 ALA HB3 H 2.771 -7.107 -5.990 1.00 . A A . 4 ALA HB3 1 1 5 3689 1 1 4 ALA N N 1.845 -6.365 -3.712 1.00 . A A . 4 ALA N 1 1 5 3690 1 1 4 ALA O O 5.115 -5.702 -3.386 1.00 . A A . 4 ALA O 1 1 5 3691 1 1 5 ALA C C 5.748 -8.013 -0.315 1.00 . A A . 5 ALA C 1 1 5 3692 1 1 5 ALA CA C 5.226 -6.644 -0.784 1.00 . A A . 5 ALA CA 1 1 5 3693 1 1 5 ALA CB C 4.831 -5.765 0.410 1.00 . A A . 5 ALA CB 1 1 5 3694 1 1 5 ALA H H 3.183 -6.680 -1.394 1.00 . A A . 5 ALA H 1 1 5 3695 1 1 5 ALA HA H 6.010 -6.135 -1.323 1.00 . A A . 5 ALA HA 1 1 5 3696 1 1 5 ALA HB1 H 4.415 -4.839 0.044 1.00 . A A . 5 ALA HB1 1 1 5 3697 1 1 5 ALA HB2 H 5.698 -5.523 1.006 1.00 . A A . 5 ALA HB2 1 1 5 3698 1 1 5 ALA HB3 H 4.092 -6.253 1.032 1.00 . A A . 5 ALA HB3 1 1 5 3699 1 1 5 ALA N N 4.097 -6.762 -1.705 1.00 . A A . 5 ALA N 1 1 5 3700 1 1 5 ALA O O 4.982 -8.977 -0.210 1.00 . A A . 5 ALA O 1 1 5 3701 1 1 6 GLN C C 7.074 -9.994 1.570 1.00 . A A . 6 GLN C 1 1 5 3702 1 1 6 GLN CA C 7.767 -9.318 0.396 1.00 . A A . 6 GLN CA 1 1 5 3703 1 1 6 GLN CB C 9.217 -9.011 0.792 1.00 . A A . 6 GLN CB 1 1 5 3704 1 1 6 GLN CD C 11.511 -8.176 0.157 1.00 . A A . 6 GLN CD 1 1 5 3705 1 1 6 GLN CG C 10.072 -8.410 -0.305 1.00 . A A . 6 GLN CG 1 1 5 3706 1 1 6 GLN H H 7.598 -7.278 -0.247 1.00 . A A . 6 GLN H 1 1 5 3707 1 1 6 GLN HA H 7.780 -10.036 -0.409 1.00 . A A . 6 GLN HA 1 1 5 3708 1 1 6 GLN HB2 H 9.216 -8.322 1.626 1.00 . A A . 6 GLN HB2 1 1 5 3709 1 1 6 GLN HB3 H 9.674 -9.934 1.112 1.00 . A A . 6 GLN HB3 1 1 5 3710 1 1 6 GLN HE21 H 12.168 -8.431 -1.682 1.00 . A A . 6 GLN HE21 1 1 5 3711 1 1 6 GLN HE22 H 13.371 -8.095 -0.491 1.00 . A A . 6 GLN HE22 1 1 5 3712 1 1 6 GLN HG2 H 10.071 -9.085 -1.150 1.00 . A A . 6 GLN HG2 1 1 5 3713 1 1 6 GLN HG3 H 9.645 -7.469 -0.614 1.00 . A A . 6 GLN HG3 1 1 5 3714 1 1 6 GLN N N 7.072 -8.078 -0.056 1.00 . A A . 6 GLN N 1 1 5 3715 1 1 6 GLN NE2 N 12.440 -8.239 -0.761 1.00 . A A . 6 GLN NE2 1 1 5 3716 1 1 6 GLN O O 6.782 -11.187 1.515 1.00 . A A . 6 GLN O 1 1 5 3717 1 1 6 GLN OE1 O 11.769 -7.932 1.342 1.00 . A A . 6 GLN OE1 1 1 5 3718 1 1 7 ASN C C 4.779 -9.190 3.922 1.00 . A A . 7 ASN C 1 1 5 3719 1 1 7 ASN CA C 6.141 -9.801 3.779 1.00 . A A . 7 ASN CA 1 1 5 3720 1 1 7 ASN CB C 7.008 -9.607 5.050 1.00 . A A . 7 ASN CB 1 1 5 3721 1 1 7 ASN CG C 6.407 -10.216 6.327 1.00 . A A . 7 ASN CG 1 1 5 3722 1 1 7 ASN H H 7.014 -8.293 2.579 1.00 . A A . 7 ASN H 1 1 5 3723 1 1 7 ASN HA H 6.015 -10.859 3.598 1.00 . A A . 7 ASN HA 1 1 5 3724 1 1 7 ASN HB2 H 7.969 -10.066 4.868 1.00 . A A . 7 ASN HB2 1 1 5 3725 1 1 7 ASN HB3 H 7.146 -8.546 5.207 1.00 . A A . 7 ASN HB3 1 1 5 3726 1 1 7 ASN HD21 H 5.592 -8.481 6.839 1.00 . A A . 7 ASN HD21 1 1 5 3727 1 1 7 ASN HD22 H 5.343 -9.780 7.940 1.00 . A A . 7 ASN HD22 1 1 5 3728 1 1 7 ASN N N 6.793 -9.246 2.605 1.00 . A A . 7 ASN N 1 1 5 3729 1 1 7 ASN ND2 N 5.708 -9.418 7.106 1.00 . A A . 7 ASN ND2 1 1 5 3730 1 1 7 ASN O O 4.546 -8.302 4.742 1.00 . A A . 7 ASN O 1 1 5 3731 1 1 7 ASN OD1 O 6.619 -11.391 6.621 1.00 . A A . 7 ASN OD1 1 1 5 3732 1 1 8 CYS C C 1.588 -10.027 3.675 1.00 . A A . 8 CYS C 1 1 5 3733 1 1 8 CYS CA C 2.601 -9.054 3.028 1.00 . A A . 8 CYS CA 1 1 5 3734 1 1 8 CYS CB C 2.162 -8.622 1.622 1.00 . A A . 8 CYS CB 1 1 5 3735 1 1 8 CYS H H 4.113 -10.224 2.339 1.00 . A A . 8 CYS H 1 1 5 3736 1 1 8 CYS HA H 2.618 -8.177 3.654 1.00 . A A . 8 CYS HA 1 1 5 3737 1 1 8 CYS HB2 H 2.782 -7.846 1.207 1.00 . A A . 8 CYS HB2 1 1 5 3738 1 1 8 CYS HB3 H 2.211 -9.483 0.973 1.00 . A A . 8 CYS HB3 1 1 5 3739 1 1 8 CYS N N 3.922 -9.556 3.027 1.00 . A A . 8 CYS N 1 1 5 3740 1 1 8 CYS O O 1.732 -11.247 3.610 1.00 . A A . 8 CYS O 1 1 5 3741 1 1 8 CYS SG S 0.484 -8.052 1.577 1.00 . A A . 8 CYS SG 1 1 5 3742 1 1 9 GLN C C -1.754 -9.833 3.958 1.00 . A A . 9 GLN C 1 1 5 3743 1 1 9 GLN CA C -0.518 -10.149 4.822 1.00 . A A . 9 GLN CA 1 1 5 3744 1 1 9 GLN CB C -0.773 -9.755 6.280 1.00 . A A . 9 GLN CB 1 1 5 3745 1 1 9 GLN CD C -2.268 -10.022 8.301 1.00 . A A . 9 GLN CD 1 1 5 3746 1 1 9 GLN CG C -1.956 -10.468 6.896 1.00 . A A . 9 GLN CG 1 1 5 3747 1 1 9 GLN H H 0.781 -8.483 4.253 1.00 . A A . 9 GLN H 1 1 5 3748 1 1 9 GLN HA H -0.299 -11.206 4.766 1.00 . A A . 9 GLN HA 1 1 5 3749 1 1 9 GLN HB2 H 0.105 -10.002 6.856 1.00 . A A . 9 GLN HB2 1 1 5 3750 1 1 9 GLN HB3 H -0.948 -8.692 6.339 1.00 . A A . 9 GLN HB3 1 1 5 3751 1 1 9 GLN HE21 H -3.537 -8.670 7.613 1.00 . A A . 9 GLN HE21 1 1 5 3752 1 1 9 GLN HE22 H -3.365 -8.742 9.327 1.00 . A A . 9 GLN HE22 1 1 5 3753 1 1 9 GLN HG2 H -2.794 -10.217 6.263 1.00 . A A . 9 GLN HG2 1 1 5 3754 1 1 9 GLN HG3 H -1.773 -11.534 6.867 1.00 . A A . 9 GLN HG3 1 1 5 3755 1 1 9 GLN N N 0.600 -9.442 4.282 1.00 . A A . 9 GLN N 1 1 5 3756 1 1 9 GLN NE2 N -3.138 -9.049 8.424 1.00 . A A . 9 GLN NE2 1 1 5 3757 1 1 9 GLN O O -1.845 -8.745 3.379 1.00 . A A . 9 GLN O 1 1 5 3758 1 1 9 GLN OE1 O -1.748 -10.566 9.271 1.00 . A A . 9 GLN OE1 1 1 5 3759 1 1 10 ARG C C -4.965 -10.224 4.143 1.00 . A A . 10 ARG C 1 1 5 3760 1 1 10 ARG CA C -3.896 -10.596 3.110 1.00 . A A . 10 ARG CA 1 1 5 3761 1 1 10 ARG CB C -4.331 -11.930 2.468 1.00 . A A . 10 ARG CB 1 1 5 3762 1 1 10 ARG CD C -3.772 -14.043 1.210 1.00 . A A . 10 ARG CD 1 1 5 3763 1 1 10 ARG CG C -3.222 -12.732 1.798 1.00 . A A . 10 ARG CG 1 1 5 3764 1 1 10 ARG CZ C -2.878 -16.015 -0.063 1.00 . A A . 10 ARG CZ 1 1 5 3765 1 1 10 ARG H H -2.593 -11.614 4.306 1.00 . A A . 10 ARG H 1 1 5 3766 1 1 10 ARG HA H -3.795 -9.828 2.359 1.00 . A A . 10 ARG HA 1 1 5 3767 1 1 10 ARG HB2 H -4.764 -12.557 3.233 1.00 . A A . 10 ARG HB2 1 1 5 3768 1 1 10 ARG HB3 H -5.096 -11.719 1.733 1.00 . A A . 10 ARG HB3 1 1 5 3769 1 1 10 ARG HD2 H -4.362 -14.557 1.952 1.00 . A A . 10 ARG HD2 1 1 5 3770 1 1 10 ARG HD3 H -4.397 -13.793 0.367 1.00 . A A . 10 ARG HD3 1 1 5 3771 1 1 10 ARG HE H -1.814 -14.709 1.104 1.00 . A A . 10 ARG HE 1 1 5 3772 1 1 10 ARG HG2 H -2.775 -12.133 1.020 1.00 . A A . 10 ARG HG2 1 1 5 3773 1 1 10 ARG HG3 H -2.473 -12.956 2.541 1.00 . A A . 10 ARG HG3 1 1 5 3774 1 1 10 ARG HH11 H -4.904 -15.774 -0.361 1.00 . A A . 10 ARG HH11 1 1 5 3775 1 1 10 ARG HH12 H -4.214 -17.104 -1.145 1.00 . A A . 10 ARG HH12 1 1 5 3776 1 1 10 ARG HH21 H -0.915 -16.627 -0.038 1.00 . A A . 10 ARG HH21 1 1 5 3777 1 1 10 ARG HH22 H -1.937 -17.604 -0.958 1.00 . A A . 10 ARG HH22 1 1 5 3778 1 1 10 ARG N N -2.669 -10.768 3.853 1.00 . A A . 10 ARG N 1 1 5 3779 1 1 10 ARG NE N -2.700 -14.938 0.739 1.00 . A A . 10 ARG NE 1 1 5 3780 1 1 10 ARG NH1 N -4.079 -16.304 -0.552 1.00 . A A . 10 ARG NH1 1 1 5 3781 1 1 10 ARG NH2 N -1.845 -16.789 -0.376 1.00 . A A . 10 ARG NH2 1 1 5 3782 1 1 10 ARG O O -5.513 -11.109 4.817 1.00 . A A . 10 ARG O 1 1 5 3783 1 1 11 PRO C C -7.476 -8.017 4.625 1.00 . A A . 11 PRO C 1 1 5 3784 1 1 11 PRO CA C -6.193 -8.457 5.295 1.00 . A A . 11 PRO CA 1 1 5 3785 1 1 11 PRO CB C -5.441 -7.227 5.811 1.00 . A A . 11 PRO CB 1 1 5 3786 1 1 11 PRO CD C -4.617 -7.834 3.606 1.00 . A A . 11 PRO CD 1 1 5 3787 1 1 11 PRO CG C -4.716 -6.688 4.596 1.00 . A A . 11 PRO CG 1 1 5 3788 1 1 11 PRO HA H -6.369 -9.143 6.107 1.00 . A A . 11 PRO HA 1 1 5 3789 1 1 11 PRO HB2 H -6.150 -6.515 6.210 1.00 . A A . 11 PRO HB2 1 1 5 3790 1 1 11 PRO HB3 H -4.748 -7.524 6.581 1.00 . A A . 11 PRO HB3 1 1 5 3791 1 1 11 PRO HD2 H -5.077 -7.661 2.647 1.00 . A A . 11 PRO HD2 1 1 5 3792 1 1 11 PRO HD3 H -3.573 -8.061 3.447 1.00 . A A . 11 PRO HD3 1 1 5 3793 1 1 11 PRO HG2 H -5.283 -5.876 4.167 1.00 . A A . 11 PRO HG2 1 1 5 3794 1 1 11 PRO HG3 H -3.727 -6.350 4.875 1.00 . A A . 11 PRO HG3 1 1 5 3795 1 1 11 PRO N N -5.240 -8.944 4.316 1.00 . A A . 11 PRO N 1 1 5 3796 1 1 11 PRO O O -7.875 -6.874 4.774 1.00 . A A . 11 PRO O 1 1 5 3797 1 1 12 CYS C C -10.559 -8.182 3.938 1.00 . A A . 12 CYS C 1 1 5 3798 1 1 12 CYS CA C -9.297 -8.591 3.127 1.00 . A A . 12 CYS CA 1 1 5 3799 1 1 12 CYS CB C -9.605 -9.699 2.128 1.00 . A A . 12 CYS CB 1 1 5 3800 1 1 12 CYS H H -7.867 -9.875 4.010 1.00 . A A . 12 CYS H 1 1 5 3801 1 1 12 CYS HA H -9.007 -7.714 2.561 1.00 . A A . 12 CYS HA 1 1 5 3802 1 1 12 CYS HB2 H -9.923 -10.586 2.657 1.00 . A A . 12 CYS HB2 1 1 5 3803 1 1 12 CYS HB3 H -10.398 -9.364 1.476 1.00 . A A . 12 CYS HB3 1 1 5 3804 1 1 12 CYS HG H -7.118 -9.666 1.709 1.00 . A A . 12 CYS HG 1 1 5 3805 1 1 12 CYS N N -8.141 -8.933 3.945 1.00 . A A . 12 CYS N 1 1 5 3806 1 1 12 CYS O O -11.505 -8.967 4.108 1.00 . A A . 12 CYS O 1 1 5 3807 1 1 12 CYS SG S -8.192 -10.136 1.087 1.00 . A A . 12 CYS SG 1 1 5 3808 1 1 13 LYS C C -12.171 -5.325 4.173 1.00 . A A . 13 LYS C 1 1 5 3809 1 1 13 LYS CA C -11.595 -6.345 5.137 1.00 . A A . 13 LYS CA 1 1 5 3810 1 1 13 LYS CB C -11.203 -5.678 6.464 1.00 . A A . 13 LYS CB 1 1 5 3811 1 1 13 LYS CD C -10.688 -5.891 8.910 1.00 . A A . 13 LYS CD 1 1 5 3812 1 1 13 LYS CE C -9.242 -5.416 8.977 1.00 . A A . 13 LYS CE 1 1 5 3813 1 1 13 LYS CG C -11.010 -6.645 7.625 1.00 . A A . 13 LYS CG 1 1 5 3814 1 1 13 LYS H H -9.552 -6.685 4.574 1.00 . A A . 13 LYS H 1 1 5 3815 1 1 13 LYS HA H -12.349 -7.095 5.327 1.00 . A A . 13 LYS HA 1 1 5 3816 1 1 13 LYS HB2 H -10.277 -5.145 6.309 1.00 . A A . 13 LYS HB2 1 1 5 3817 1 1 13 LYS HB3 H -11.966 -4.964 6.733 1.00 . A A . 13 LYS HB3 1 1 5 3818 1 1 13 LYS HD2 H -11.296 -4.997 8.891 1.00 . A A . 13 LYS HD2 1 1 5 3819 1 1 13 LYS HD3 H -10.931 -6.499 9.769 1.00 . A A . 13 LYS HD3 1 1 5 3820 1 1 13 LYS HE2 H -9.004 -4.870 8.075 1.00 . A A . 13 LYS HE2 1 1 5 3821 1 1 13 LYS HE3 H -9.149 -4.760 9.827 1.00 . A A . 13 LYS HE3 1 1 5 3822 1 1 13 LYS HG2 H -11.913 -7.220 7.762 1.00 . A A . 13 LYS HG2 1 1 5 3823 1 1 13 LYS HG3 H -10.189 -7.307 7.399 1.00 . A A . 13 LYS HG3 1 1 5 3824 1 1 13 LYS HZ1 H -7.307 -6.228 9.200 1.00 . A A . 13 LYS HZ1 1 1 5 3825 1 1 13 LYS HZ2 H -8.365 -7.227 8.345 1.00 . A A . 13 LYS HZ2 1 1 5 3826 1 1 13 LYS HZ3 H -8.490 -7.059 10.011 1.00 . A A . 13 LYS HZ3 1 1 5 3827 1 1 13 LYS N N -10.477 -7.015 4.527 1.00 . A A . 13 LYS N 1 1 5 3828 1 1 13 LYS NZ N -8.291 -6.549 9.128 1.00 . A A . 13 LYS NZ 1 1 5 3829 1 1 13 LYS O O -11.744 -5.247 3.018 1.00 . A A . 13 LYS O 1 1 5 3830 1 1 14 ASP C C -12.891 -2.394 3.543 1.00 . A A . 14 ASP C 1 1 5 3831 1 1 14 ASP CA C -13.813 -3.562 3.828 1.00 . A A . 14 ASP CA 1 1 5 3832 1 1 14 ASP CB C -15.078 -3.063 4.532 1.00 . A A . 14 ASP CB 1 1 5 3833 1 1 14 ASP CG C -16.045 -4.183 4.846 1.00 . A A . 14 ASP CG 1 1 5 3834 1 1 14 ASP H H -13.423 -4.669 5.574 1.00 . A A . 14 ASP H 1 1 5 3835 1 1 14 ASP HA H -14.099 -4.021 2.892 1.00 . A A . 14 ASP HA 1 1 5 3836 1 1 14 ASP HB2 H -14.798 -2.581 5.458 1.00 . A A . 14 ASP HB2 1 1 5 3837 1 1 14 ASP HB3 H -15.579 -2.347 3.899 1.00 . A A . 14 ASP HB3 1 1 5 3838 1 1 14 ASP N N -13.134 -4.562 4.645 1.00 . A A . 14 ASP N 1 1 5 3839 1 1 14 ASP O O -12.581 -2.099 2.389 1.00 . A A . 14 ASP O 1 1 5 3840 1 1 14 ASP OD1 O -15.897 -4.819 5.914 1.00 . A A . 14 ASP OD1 1 1 5 3841 1 1 14 ASP OD2 O -16.960 -4.446 4.049 1.00 . A A . 14 ASP OD2 1 1 5 3842 1 1 15 LYS C C -10.104 -1.077 4.551 1.00 . A A . 15 LYS C 1 1 5 3843 1 1 15 LYS CA C -11.548 -0.586 4.442 1.00 . A A . 15 LYS CA 1 1 5 3844 1 1 15 LYS CB C -11.788 0.447 5.559 1.00 . A A . 15 LYS CB 1 1 5 3845 1 1 15 LYS CD C -13.660 2.013 4.600 1.00 . A A . 15 LYS CD 1 1 5 3846 1 1 15 LYS CE C -13.933 1.370 3.240 1.00 . A A . 15 LYS CE 1 1 5 3847 1 1 15 LYS CG C -13.210 1.029 5.710 1.00 . A A . 15 LYS CG 1 1 5 3848 1 1 15 LYS H H -12.773 -1.803 5.517 1.00 . A A . 15 LYS H 1 1 5 3849 1 1 15 LYS HA H -11.696 -0.111 3.488 1.00 . A A . 15 LYS HA 1 1 5 3850 1 1 15 LYS HB2 H -11.544 -0.038 6.492 1.00 . A A . 15 LYS HB2 1 1 5 3851 1 1 15 LYS HB3 H -11.097 1.260 5.409 1.00 . A A . 15 LYS HB3 1 1 5 3852 1 1 15 LYS HD2 H -14.556 2.522 4.919 1.00 . A A . 15 LYS HD2 1 1 5 3853 1 1 15 LYS HD3 H -12.877 2.746 4.482 1.00 . A A . 15 LYS HD3 1 1 5 3854 1 1 15 LYS HE2 H -13.008 1.006 2.821 1.00 . A A . 15 LYS HE2 1 1 5 3855 1 1 15 LYS HE3 H -14.636 0.555 3.339 1.00 . A A . 15 LYS HE3 1 1 5 3856 1 1 15 LYS HG2 H -13.902 0.200 5.726 1.00 . A A . 15 LYS HG2 1 1 5 3857 1 1 15 LYS HG3 H -13.248 1.528 6.667 1.00 . A A . 15 LYS HG3 1 1 5 3858 1 1 15 LYS HZ1 H -13.859 3.175 2.154 1.00 . A A . 15 LYS HZ1 1 1 5 3859 1 1 15 LYS HZ2 H -15.384 2.724 2.655 1.00 . A A . 15 LYS HZ2 1 1 5 3860 1 1 15 LYS HZ3 H -14.710 1.945 1.350 1.00 . A A . 15 LYS HZ3 1 1 5 3861 1 1 15 LYS N N -12.474 -1.696 4.588 1.00 . A A . 15 LYS N 1 1 5 3862 1 1 15 LYS NZ N -14.487 2.354 2.277 1.00 . A A . 15 LYS NZ 1 1 5 3863 1 1 15 LYS O O -9.615 -1.340 5.657 1.00 . A A . 15 LYS O 1 1 5 3864 1 1 16 VAL C C -7.215 -0.601 2.672 1.00 . A A . 16 VAL C 1 1 5 3865 1 1 16 VAL CA C -8.035 -1.624 3.446 1.00 . A A . 16 VAL CA 1 1 5 3866 1 1 16 VAL CB C -7.772 -3.075 2.944 1.00 . A A . 16 VAL CB 1 1 5 3867 1 1 16 VAL CG1 C -8.522 -4.064 3.799 1.00 . A A . 16 VAL CG1 1 1 5 3868 1 1 16 VAL CG2 C -8.144 -3.250 1.495 1.00 . A A . 16 VAL CG2 1 1 5 3869 1 1 16 VAL H H -9.889 -1.111 2.567 1.00 . A A . 16 VAL H 1 1 5 3870 1 1 16 VAL HA H -7.741 -1.550 4.485 1.00 . A A . 16 VAL HA 1 1 5 3871 1 1 16 VAL HB H -6.714 -3.266 3.063 1.00 . A A . 16 VAL HB 1 1 5 3872 1 1 16 VAL HG11 H -8.333 -5.061 3.430 1.00 . A A . 16 VAL HG11 1 1 5 3873 1 1 16 VAL HG12 H -9.579 -3.860 3.733 1.00 . A A . 16 VAL HG12 1 1 5 3874 1 1 16 VAL HG13 H -8.195 -3.992 4.827 1.00 . A A . 16 VAL HG13 1 1 5 3875 1 1 16 VAL HG21 H -7.532 -2.567 0.926 1.00 . A A . 16 VAL HG21 1 1 5 3876 1 1 16 VAL HG22 H -9.185 -2.991 1.376 1.00 . A A . 16 VAL HG22 1 1 5 3877 1 1 16 VAL HG23 H -7.960 -4.274 1.188 1.00 . A A . 16 VAL HG23 1 1 5 3878 1 1 16 VAL N N -9.441 -1.246 3.428 1.00 . A A . 16 VAL N 1 1 5 3879 1 1 16 VAL O O -7.631 -0.144 1.602 1.00 . A A . 16 VAL O 1 1 5 3880 1 1 17 ASP C C -4.104 0.383 1.818 1.00 . A A . 17 ASP C 1 1 5 3881 1 1 17 ASP CA C -5.246 0.859 2.712 1.00 . A A . 17 ASP CA 1 1 5 3882 1 1 17 ASP CB C -4.660 1.647 3.896 1.00 . A A . 17 ASP CB 1 1 5 3883 1 1 17 ASP CG C -5.714 2.193 4.856 1.00 . A A . 17 ASP CG 1 1 5 3884 1 1 17 ASP H H -5.714 -0.749 3.971 1.00 . A A . 17 ASP H 1 1 5 3885 1 1 17 ASP HA H -5.873 1.530 2.144 1.00 . A A . 17 ASP HA 1 1 5 3886 1 1 17 ASP HB2 H -3.978 1.015 4.448 1.00 . A A . 17 ASP HB2 1 1 5 3887 1 1 17 ASP HB3 H -4.104 2.480 3.493 1.00 . A A . 17 ASP HB3 1 1 5 3888 1 1 17 ASP N N -6.070 -0.257 3.209 1.00 . A A . 17 ASP N 1 1 5 3889 1 1 17 ASP O O -3.470 -0.667 2.088 1.00 . A A . 17 ASP O 1 1 5 3890 1 1 17 ASP OD1 O -6.210 1.415 5.722 1.00 . A A . 17 ASP OD1 1 1 5 3891 1 1 17 ASP OD2 O -6.061 3.380 4.767 1.00 . A A . 17 ASP OD2 1 1 5 3892 1 1 18 TRP C C -1.881 2.074 -0.418 1.00 . A A . 18 TRP C 1 1 5 3893 1 1 18 TRP CA C -2.789 0.850 -0.210 1.00 . A A . 18 TRP CA 1 1 5 3894 1 1 18 TRP CB C -3.417 0.530 -1.567 1.00 . A A . 18 TRP CB 1 1 5 3895 1 1 18 TRP CD1 C -5.624 -0.610 -1.024 1.00 . A A . 18 TRP CD1 1 1 5 3896 1 1 18 TRP CD2 C -4.300 -1.814 -2.327 1.00 . A A . 18 TRP CD2 1 1 5 3897 1 1 18 TRP CE2 C -5.460 -2.550 -2.091 1.00 . A A . 18 TRP CE2 1 1 5 3898 1 1 18 TRP CE3 C -3.330 -2.352 -3.140 1.00 . A A . 18 TRP CE3 1 1 5 3899 1 1 18 TRP CG C -4.413 -0.591 -1.605 1.00 . A A . 18 TRP CG 1 1 5 3900 1 1 18 TRP CH2 C -4.686 -4.308 -3.439 1.00 . A A . 18 TRP CH2 1 1 5 3901 1 1 18 TRP CZ2 C -5.667 -3.806 -2.634 1.00 . A A . 18 TRP CZ2 1 1 5 3902 1 1 18 TRP CZ3 C -3.529 -3.592 -3.693 1.00 . A A . 18 TRP CZ3 1 1 5 3903 1 1 18 TRP H H -4.411 1.952 0.682 1.00 . A A . 18 TRP H 1 1 5 3904 1 1 18 TRP HA H -2.217 -0.005 0.122 1.00 . A A . 18 TRP HA 1 1 5 3905 1 1 18 TRP HB2 H -3.951 1.417 -1.855 1.00 . A A . 18 TRP HB2 1 1 5 3906 1 1 18 TRP HB3 H -2.644 0.349 -2.299 1.00 . A A . 18 TRP HB3 1 1 5 3907 1 1 18 TRP HD1 H -5.983 0.214 -0.426 1.00 . A A . 18 TRP HD1 1 1 5 3908 1 1 18 TRP HE1 H -7.128 -2.088 -0.949 1.00 . A A . 18 TRP HE1 1 1 5 3909 1 1 18 TRP HE3 H -2.442 -1.785 -3.331 1.00 . A A . 18 TRP HE3 1 1 5 3910 1 1 18 TRP HH2 H -4.793 -5.267 -3.914 1.00 . A A . 18 TRP HH2 1 1 5 3911 1 1 18 TRP HZ2 H -6.569 -4.368 -2.441 1.00 . A A . 18 TRP HZ2 1 1 5 3912 1 1 18 TRP HZ3 H -2.770 -4.018 -4.334 1.00 . A A . 18 TRP HZ3 1 1 5 3913 1 1 18 TRP N N -3.836 1.155 0.769 1.00 . A A . 18 TRP N 1 1 5 3914 1 1 18 TRP NE1 N -6.247 -1.803 -1.274 1.00 . A A . 18 TRP NE1 1 1 5 3915 1 1 18 TRP O O -2.272 3.210 -0.074 1.00 . A A . 18 TRP O 1 1 5 3916 1 1 19 VAL C C 0.906 2.518 -2.676 1.00 . A A . 19 VAL C 1 1 5 3917 1 1 19 VAL CA C 0.298 2.899 -1.342 1.00 . A A . 19 VAL CA 1 1 5 3918 1 1 19 VAL CB C 1.530 2.863 -0.406 1.00 . A A . 19 VAL CB 1 1 5 3919 1 1 19 VAL CG1 C 2.419 4.083 -0.568 1.00 . A A . 19 VAL CG1 1 1 5 3920 1 1 19 VAL CG2 C 1.216 2.586 1.020 1.00 . A A . 19 VAL CG2 1 1 5 3921 1 1 19 VAL H H -0.369 0.962 -1.298 1.00 . A A . 19 VAL H 1 1 5 3922 1 1 19 VAL HA H -0.141 3.886 -1.344 1.00 . A A . 19 VAL HA 1 1 5 3923 1 1 19 VAL HB H 2.105 2.038 -0.797 1.00 . A A . 19 VAL HB 1 1 5 3924 1 1 19 VAL HG11 H 2.781 4.122 -1.585 1.00 . A A . 19 VAL HG11 1 1 5 3925 1 1 19 VAL HG12 H 3.255 4.016 0.114 1.00 . A A . 19 VAL HG12 1 1 5 3926 1 1 19 VAL HG13 H 1.836 4.968 -0.361 1.00 . A A . 19 VAL HG13 1 1 5 3927 1 1 19 VAL HG21 H 0.608 3.375 1.435 1.00 . A A . 19 VAL HG21 1 1 5 3928 1 1 19 VAL HG22 H 2.168 2.540 1.528 1.00 . A A . 19 VAL HG22 1 1 5 3929 1 1 19 VAL HG23 H 0.723 1.628 1.079 1.00 . A A . 19 VAL HG23 1 1 5 3930 1 1 19 VAL N N -0.692 1.847 -1.010 1.00 . A A . 19 VAL N 1 1 5 3931 1 1 19 VAL O O 1.106 1.329 -2.922 1.00 . A A . 19 VAL O 1 1 5 3932 1 1 20 GLN C C 3.348 3.667 -4.578 1.00 . A A . 20 GLN C 1 1 5 3933 1 1 20 GLN CA C 1.921 3.153 -4.727 1.00 . A A . 20 GLN CA 1 1 5 3934 1 1 20 GLN CB C 1.285 3.718 -5.976 1.00 . A A . 20 GLN CB 1 1 5 3935 1 1 20 GLN CD C 0.859 3.262 -8.449 1.00 . A A . 20 GLN CD 1 1 5 3936 1 1 20 GLN CG C 1.449 2.762 -7.155 1.00 . A A . 20 GLN CG 1 1 5 3937 1 1 20 GLN H H 0.781 4.343 -3.319 1.00 . A A . 20 GLN H 1 1 5 3938 1 1 20 GLN HA H 1.966 2.077 -4.798 1.00 . A A . 20 GLN HA 1 1 5 3939 1 1 20 GLN HB2 H 0.245 3.920 -5.775 1.00 . A A . 20 GLN HB2 1 1 5 3940 1 1 20 GLN HB3 H 1.776 4.647 -6.225 1.00 . A A . 20 GLN HB3 1 1 5 3941 1 1 20 GLN HE21 H 2.038 2.056 -9.462 1.00 . A A . 20 GLN HE21 1 1 5 3942 1 1 20 GLN HE22 H 0.947 3.011 -10.395 1.00 . A A . 20 GLN HE22 1 1 5 3943 1 1 20 GLN HG2 H 2.502 2.580 -7.315 1.00 . A A . 20 GLN HG2 1 1 5 3944 1 1 20 GLN HG3 H 0.977 1.827 -6.892 1.00 . A A . 20 GLN HG3 1 1 5 3945 1 1 20 GLN N N 1.171 3.467 -3.528 1.00 . A A . 20 GLN N 1 1 5 3946 1 1 20 GLN NE2 N 1.330 2.736 -9.540 1.00 . A A . 20 GLN NE2 1 1 5 3947 1 1 20 GLN O O 3.564 4.728 -4.016 1.00 . A A . 20 GLN O 1 1 5 3948 1 1 20 GLN OE1 O -0.076 4.057 -8.458 1.00 . A A . 20 GLN OE1 1 1 5 3949 1 1 21 CYS C C 6.126 4.162 -6.142 1.00 . A A . 21 CYS C 1 1 5 3950 1 1 21 CYS CA C 5.736 3.252 -4.960 1.00 . A A . 21 CYS CA 1 1 5 3951 1 1 21 CYS CB C 6.555 1.982 -5.073 1.00 . A A . 21 CYS CB 1 1 5 3952 1 1 21 CYS H H 4.156 2.011 -5.445 1.00 . A A . 21 CYS H 1 1 5 3953 1 1 21 CYS HA H 5.944 3.722 -4.013 1.00 . A A . 21 CYS HA 1 1 5 3954 1 1 21 CYS HB2 H 6.099 1.150 -4.572 1.00 . A A . 21 CYS HB2 1 1 5 3955 1 1 21 CYS HB3 H 6.530 1.722 -6.121 1.00 . A A . 21 CYS HB3 1 1 5 3956 1 1 21 CYS N N 4.312 2.885 -5.032 1.00 . A A . 21 CYS N 1 1 5 3957 1 1 21 CYS O O 5.781 3.883 -7.282 1.00 . A A . 21 CYS O 1 1 5 3958 1 1 21 CYS SG S 8.315 2.078 -4.614 1.00 . A A . 21 CYS SG 1 1 5 3959 1 1 22 ASP C C 8.858 5.947 -7.153 1.00 . A A . 22 ASP C 1 1 5 3960 1 1 22 ASP CA C 7.379 6.164 -6.871 1.00 . A A . 22 ASP CA 1 1 5 3961 1 1 22 ASP CB C 7.223 7.610 -6.380 1.00 . A A . 22 ASP CB 1 1 5 3962 1 1 22 ASP CG C 5.809 8.051 -6.181 1.00 . A A . 22 ASP CG 1 1 5 3963 1 1 22 ASP H H 7.151 5.322 -4.911 1.00 . A A . 22 ASP H 1 1 5 3964 1 1 22 ASP HA H 6.798 6.033 -7.774 1.00 . A A . 22 ASP HA 1 1 5 3965 1 1 22 ASP HB2 H 7.729 7.709 -5.432 1.00 . A A . 22 ASP HB2 1 1 5 3966 1 1 22 ASP HB3 H 7.692 8.273 -7.096 1.00 . A A . 22 ASP HB3 1 1 5 3967 1 1 22 ASP N N 6.896 5.199 -5.854 1.00 . A A . 22 ASP N 1 1 5 3968 1 1 22 ASP O O 9.521 6.801 -7.731 1.00 . A A . 22 ASP O 1 1 5 3969 1 1 22 ASP OD1 O 5.181 8.547 -7.160 1.00 . A A . 22 ASP OD1 1 1 5 3970 1 1 22 ASP OD2 O 5.318 7.955 -5.065 1.00 . A A . 22 ASP OD2 1 1 5 3971 1 1 23 GLY C C 11.146 3.635 -8.073 1.00 . A A . 23 GLY C 1 1 5 3972 1 1 23 GLY CA C 10.800 4.555 -6.928 1.00 . A A . 23 GLY CA 1 1 5 3973 1 1 23 GLY H H 8.825 4.079 -6.401 1.00 . A A . 23 GLY H 1 1 5 3974 1 1 23 GLY HA2 H 11.290 5.502 -7.102 1.00 . A A . 23 GLY HA2 1 1 5 3975 1 1 23 GLY HA3 H 11.184 4.132 -6.014 1.00 . A A . 23 GLY HA3 1 1 5 3976 1 1 23 GLY N N 9.377 4.793 -6.771 1.00 . A A . 23 GLY N 1 1 5 3977 1 1 23 GLY O O 12.313 3.254 -8.233 1.00 . A A . 23 GLY O 1 1 5 3978 1 1 24 GLY C C 9.582 1.183 -10.144 1.00 . A A . 24 GLY C 1 1 5 3979 1 1 24 GLY CA C 10.445 2.425 -10.010 1.00 . A A . 24 GLY CA 1 1 5 3980 1 1 24 GLY H H 9.264 3.611 -8.685 1.00 . A A . 24 GLY H 1 1 5 3981 1 1 24 GLY HA2 H 10.328 3.027 -10.900 1.00 . A A . 24 GLY HA2 1 1 5 3982 1 1 24 GLY HA3 H 11.481 2.125 -9.944 1.00 . A A . 24 GLY HA3 1 1 5 3983 1 1 24 GLY N N 10.158 3.261 -8.865 1.00 . A A . 24 GLY N 1 1 5 3984 1 1 24 GLY O O 9.259 0.795 -11.250 1.00 . A A . 24 GLY O 1 1 5 3985 1 1 25 CYS C C 6.982 -0.391 -9.539 1.00 . A A . 25 CYS C 1 1 5 3986 1 1 25 CYS CA C 8.429 -0.711 -9.179 1.00 . A A . 25 CYS CA 1 1 5 3987 1 1 25 CYS CB C 8.511 -1.668 -7.953 1.00 . A A . 25 CYS CB 1 1 5 3988 1 1 25 CYS H H 9.539 0.862 -8.164 1.00 . A A . 25 CYS H 1 1 5 3989 1 1 25 CYS HA H 8.829 -1.217 -10.048 1.00 . A A . 25 CYS HA 1 1 5 3990 1 1 25 CYS HB2 H 8.025 -2.593 -8.228 1.00 . A A . 25 CYS HB2 1 1 5 3991 1 1 25 CYS HB3 H 9.553 -1.873 -7.742 1.00 . A A . 25 CYS HB3 1 1 5 3992 1 1 25 CYS N N 9.227 0.526 -9.032 1.00 . A A . 25 CYS N 1 1 5 3993 1 1 25 CYS O O 6.293 -1.215 -10.150 1.00 . A A . 25 CYS O 1 1 5 3994 1 1 25 CYS SG S 7.717 -1.100 -6.420 1.00 . A A . 25 CYS SG 1 1 5 3995 1 1 26 ASP C C 4.084 0.330 -9.020 1.00 . A A . 26 ASP C 1 1 5 3996 1 1 26 ASP CA C 5.157 1.329 -9.440 1.00 . A A . 26 ASP CA 1 1 5 3997 1 1 26 ASP CB C 4.978 1.753 -10.900 1.00 . A A . 26 ASP CB 1 1 5 3998 1 1 26 ASP CG C 5.704 3.041 -11.225 1.00 . A A . 26 ASP CG 1 1 5 3999 1 1 26 ASP H H 7.196 1.550 -8.981 1.00 . A A . 26 ASP H 1 1 5 4000 1 1 26 ASP HA H 5.040 2.209 -8.825 1.00 . A A . 26 ASP HA 1 1 5 4001 1 1 26 ASP HB2 H 5.388 0.976 -11.527 1.00 . A A . 26 ASP HB2 1 1 5 4002 1 1 26 ASP HB3 H 3.929 1.877 -11.126 1.00 . A A . 26 ASP HB3 1 1 5 4003 1 1 26 ASP N N 6.548 0.858 -9.215 1.00 . A A . 26 ASP N 1 1 5 4004 1 1 26 ASP O O 2.959 0.369 -9.525 1.00 . A A . 26 ASP O 1 1 5 4005 1 1 26 ASP OD1 O 6.954 3.088 -11.122 1.00 . A A . 26 ASP OD1 1 1 5 4006 1 1 26 ASP OD2 O 5.035 4.026 -11.605 1.00 . A A . 26 ASP OD2 1 1 5 4007 1 1 27 GLU C C 2.770 -0.959 -6.363 1.00 . A A . 27 GLU C 1 1 5 4008 1 1 27 GLU CA C 3.480 -1.470 -7.593 1.00 . A A . 27 GLU CA 1 1 5 4009 1 1 27 GLU CB C 4.143 -2.823 -7.342 1.00 . A A . 27 GLU CB 1 1 5 4010 1 1 27 GLU CD C 5.137 -4.910 -8.401 1.00 . A A . 27 GLU CD 1 1 5 4011 1 1 27 GLU CG C 4.673 -3.480 -8.605 1.00 . A A . 27 GLU CG 1 1 5 4012 1 1 27 GLU H H 5.282 -0.392 -7.648 1.00 . A A . 27 GLU H 1 1 5 4013 1 1 27 GLU HA H 2.744 -1.587 -8.377 1.00 . A A . 27 GLU HA 1 1 5 4014 1 1 27 GLU HB2 H 4.965 -2.688 -6.653 1.00 . A A . 27 GLU HB2 1 1 5 4015 1 1 27 GLU HB3 H 3.415 -3.476 -6.891 1.00 . A A . 27 GLU HB3 1 1 5 4016 1 1 27 GLU HG2 H 3.885 -3.477 -9.341 1.00 . A A . 27 GLU HG2 1 1 5 4017 1 1 27 GLU HG3 H 5.502 -2.900 -8.982 1.00 . A A . 27 GLU HG3 1 1 5 4018 1 1 27 GLU N N 4.403 -0.504 -8.057 1.00 . A A . 27 GLU N 1 1 5 4019 1 1 27 GLU O O 3.252 -0.023 -5.697 1.00 . A A . 27 GLU O 1 1 5 4020 1 1 27 GLU OE1 O 6.283 -5.117 -8.002 1.00 . A A . 27 GLU OE1 1 1 5 4021 1 1 27 GLU OE2 O 4.333 -5.859 -8.695 1.00 . A A . 27 GLU OE2 1 1 5 4022 1 1 28 TRP C C 1.097 -2.029 -3.748 1.00 . A A . 28 TRP C 1 1 5 4023 1 1 28 TRP CA C 0.840 -1.136 -4.950 1.00 . A A . 28 TRP CA 1 1 5 4024 1 1 28 TRP CB C -0.644 -1.157 -5.278 1.00 . A A . 28 TRP CB 1 1 5 4025 1 1 28 TRP CD1 C -1.302 -0.215 -7.607 1.00 . A A . 28 TRP CD1 1 1 5 4026 1 1 28 TRP CD2 C -1.603 1.185 -5.900 1.00 . A A . 28 TRP CD2 1 1 5 4027 1 1 28 TRP CE2 C -2.034 1.811 -7.088 1.00 . A A . 28 TRP CE2 1 1 5 4028 1 1 28 TRP CE3 C -1.699 1.885 -4.694 1.00 . A A . 28 TRP CE3 1 1 5 4029 1 1 28 TRP CG C -1.145 -0.113 -6.246 1.00 . A A . 28 TRP CG 1 1 5 4030 1 1 28 TRP CH2 C -2.630 3.753 -5.910 1.00 . A A . 28 TRP CH2 1 1 5 4031 1 1 28 TRP CZ2 C -2.548 3.092 -7.101 1.00 . A A . 28 TRP CZ2 1 1 5 4032 1 1 28 TRP CZ3 C -2.207 3.162 -4.711 1.00 . A A . 28 TRP CZ3 1 1 5 4033 1 1 28 TRP H H 1.362 -2.303 -6.631 1.00 . A A . 28 TRP H 1 1 5 4034 1 1 28 TRP HA H 1.124 -0.125 -4.701 1.00 . A A . 28 TRP HA 1 1 5 4035 1 1 28 TRP HB2 H -0.913 -2.124 -5.671 1.00 . A A . 28 TRP HB2 1 1 5 4036 1 1 28 TRP HB3 H -1.159 -1.001 -4.344 1.00 . A A . 28 TRP HB3 1 1 5 4037 1 1 28 TRP HD1 H -1.060 -1.069 -8.215 1.00 . A A . 28 TRP HD1 1 1 5 4038 1 1 28 TRP HE1 H -2.056 1.090 -9.060 1.00 . A A . 28 TRP HE1 1 1 5 4039 1 1 28 TRP HE3 H -1.376 1.445 -3.761 1.00 . A A . 28 TRP HE3 1 1 5 4040 1 1 28 TRP HH2 H -3.031 4.753 -5.883 1.00 . A A . 28 TRP HH2 1 1 5 4041 1 1 28 TRP HZ2 H -2.874 3.550 -8.023 1.00 . A A . 28 TRP HZ2 1 1 5 4042 1 1 28 TRP HZ3 H -2.287 3.716 -3.788 1.00 . A A . 28 TRP HZ3 1 1 5 4043 1 1 28 TRP N N 1.640 -1.545 -6.073 1.00 . A A . 28 TRP N 1 1 5 4044 1 1 28 TRP NE1 N -1.849 0.935 -8.109 1.00 . A A . 28 TRP NE1 1 1 5 4045 1 1 28 TRP O O 1.202 -3.260 -3.881 1.00 . A A . 28 TRP O 1 1 5 4046 1 1 29 PHE C C 0.367 -1.727 -0.323 1.00 . A A . 29 PHE C 1 1 5 4047 1 1 29 PHE CA C 1.445 -2.102 -1.325 1.00 . A A . 29 PHE CA 1 1 5 4048 1 1 29 PHE CB C 2.706 -1.639 -0.669 1.00 . A A . 29 PHE CB 1 1 5 4049 1 1 29 PHE CD1 C 4.646 -2.297 -2.106 1.00 . A A . 29 PHE CD1 1 1 5 4050 1 1 29 PHE CD2 C 4.203 0.014 -1.669 1.00 . A A . 29 PHE CD2 1 1 5 4051 1 1 29 PHE CE1 C 5.750 -1.932 -2.832 1.00 . A A . 29 PHE CE1 1 1 5 4052 1 1 29 PHE CE2 C 5.288 0.363 -2.363 1.00 . A A . 29 PHE CE2 1 1 5 4053 1 1 29 PHE CG C 3.859 -1.313 -1.514 1.00 . A A . 29 PHE CG 1 1 5 4054 1 1 29 PHE CZ C 6.066 -0.592 -2.952 1.00 . A A . 29 PHE CZ 1 1 5 4055 1 1 29 PHE H H 1.159 -0.425 -2.628 1.00 . A A . 29 PHE H 1 1 5 4056 1 1 29 PHE HA H 1.488 -3.171 -1.466 1.00 . A A . 29 PHE HA 1 1 5 4057 1 1 29 PHE HB2 H 2.486 -0.746 -0.106 1.00 . A A . 29 PHE HB2 1 1 5 4058 1 1 29 PHE HB3 H 3.002 -2.400 0.036 1.00 . A A . 29 PHE HB3 1 1 5 4059 1 1 29 PHE HD1 H 4.392 -3.346 -2.021 1.00 . A A . 29 PHE HD1 1 1 5 4060 1 1 29 PHE HD2 H 3.610 0.805 -1.232 1.00 . A A . 29 PHE HD2 1 1 5 4061 1 1 29 PHE HE1 H 6.367 -2.686 -3.296 1.00 . A A . 29 PHE HE1 1 1 5 4062 1 1 29 PHE HE2 H 5.524 1.409 -2.451 1.00 . A A . 29 PHE HE2 1 1 5 4063 1 1 29 PHE HZ H 6.936 -0.246 -3.482 1.00 . A A . 29 PHE HZ 1 1 5 4064 1 1 29 PHE N N 1.205 -1.408 -2.593 1.00 . A A . 29 PHE N 1 1 5 4065 1 1 29 PHE O O -0.451 -0.886 -0.595 1.00 . A A . 29 PHE O 1 1 5 4066 1 1 30 HIS C C 0.459 -1.163 2.866 1.00 . A A . 30 HIS C 1 1 5 4067 1 1 30 HIS CA C -0.465 -1.924 1.934 1.00 . A A . 30 HIS CA 1 1 5 4068 1 1 30 HIS CB C -1.062 -3.073 2.741 1.00 . A A . 30 HIS CB 1 1 5 4069 1 1 30 HIS CD2 C -3.319 -4.081 1.956 1.00 . A A . 30 HIS CD2 1 1 5 4070 1 1 30 HIS CE1 C -2.554 -5.969 1.128 1.00 . A A . 30 HIS CE1 1 1 5 4071 1 1 30 HIS CG C -1.972 -4.035 2.037 1.00 . A A . 30 HIS CG 1 1 5 4072 1 1 30 HIS H H 1.036 -3.098 0.926 1.00 . A A . 30 HIS H 1 1 5 4073 1 1 30 HIS HA H -1.234 -1.269 1.551 1.00 . A A . 30 HIS HA 1 1 5 4074 1 1 30 HIS HB2 H -0.237 -3.666 3.111 1.00 . A A . 30 HIS HB2 1 1 5 4075 1 1 30 HIS HB3 H -1.593 -2.661 3.589 1.00 . A A . 30 HIS HB3 1 1 5 4076 1 1 30 HIS HD2 H -3.995 -3.300 2.277 1.00 . A A . 30 HIS HD2 1 1 5 4077 1 1 30 HIS HE1 H -2.492 -7.007 0.815 1.00 . A A . 30 HIS HE1 1 1 5 4078 1 1 30 HIS HE2 H -4.511 -5.470 0.935 1.00 . A A . 30 HIS HE2 1 1 5 4079 1 1 30 HIS N N 0.375 -2.375 0.840 1.00 . A A . 30 HIS N 1 1 5 4080 1 1 30 HIS ND1 N -1.522 -5.207 1.495 1.00 . A A . 30 HIS ND1 1 1 5 4081 1 1 30 HIS NE2 N -3.659 -5.298 1.389 1.00 . A A . 30 HIS NE2 1 1 5 4082 1 1 30 HIS O O 1.579 -1.583 3.049 1.00 . A A . 30 HIS O 1 1 5 4083 1 1 31 GLN C C 1.486 -0.101 5.431 1.00 . A A . 31 GLN C 1 1 5 4084 1 1 31 GLN CA C 0.770 0.753 4.382 1.00 . A A . 31 GLN CA 1 1 5 4085 1 1 31 GLN CB C -0.197 1.665 5.117 1.00 . A A . 31 GLN CB 1 1 5 4086 1 1 31 GLN CD C -0.495 3.860 3.881 1.00 . A A . 31 GLN CD 1 1 5 4087 1 1 31 GLN CG C -1.065 2.503 4.198 1.00 . A A . 31 GLN CG 1 1 5 4088 1 1 31 GLN H H -0.915 0.210 3.231 1.00 . A A . 31 GLN H 1 1 5 4089 1 1 31 GLN HA H 1.460 1.360 3.813 1.00 . A A . 31 GLN HA 1 1 5 4090 1 1 31 GLN HB2 H -0.831 1.088 5.776 1.00 . A A . 31 GLN HB2 1 1 5 4091 1 1 31 GLN HB3 H 0.421 2.340 5.694 1.00 . A A . 31 GLN HB3 1 1 5 4092 1 1 31 GLN HE21 H -1.457 3.911 2.145 1.00 . A A . 31 GLN HE21 1 1 5 4093 1 1 31 GLN HE22 H -0.490 5.281 2.542 1.00 . A A . 31 GLN HE22 1 1 5 4094 1 1 31 GLN HG2 H -0.955 1.941 3.277 1.00 . A A . 31 GLN HG2 1 1 5 4095 1 1 31 GLN HG3 H -2.087 2.554 4.542 1.00 . A A . 31 GLN HG3 1 1 5 4096 1 1 31 GLN N N -0.011 -0.086 3.449 1.00 . A A . 31 GLN N 1 1 5 4097 1 1 31 GLN NE2 N -0.848 4.395 2.743 1.00 . A A . 31 GLN NE2 1 1 5 4098 1 1 31 GLN O O 2.690 -0.014 5.600 1.00 . A A . 31 GLN O 1 1 5 4099 1 1 31 GLN OE1 O 0.230 4.437 4.672 1.00 . A A . 31 GLN OE1 1 1 5 4100 1 1 32 VAL C C 2.231 -2.875 6.744 1.00 . A A . 32 VAL C 1 1 5 4101 1 1 32 VAL CA C 1.250 -1.763 7.185 1.00 . A A . 32 VAL CA 1 1 5 4102 1 1 32 VAL CB C 0.099 -2.376 8.026 1.00 . A A . 32 VAL CB 1 1 5 4103 1 1 32 VAL CG1 C -0.765 -1.282 8.626 1.00 . A A . 32 VAL CG1 1 1 5 4104 1 1 32 VAL CG2 C -0.758 -3.314 7.176 1.00 . A A . 32 VAL CG2 1 1 5 4105 1 1 32 VAL H H -0.200 -1.122 5.840 1.00 . A A . 32 VAL H 1 1 5 4106 1 1 32 VAL HA H 1.796 -1.089 7.829 1.00 . A A . 32 VAL HA 1 1 5 4107 1 1 32 VAL HB H 0.541 -2.945 8.831 1.00 . A A . 32 VAL HB 1 1 5 4108 1 1 32 VAL HG11 H -1.536 -1.732 9.237 1.00 . A A . 32 VAL HG11 1 1 5 4109 1 1 32 VAL HG12 H -1.230 -0.730 7.820 1.00 . A A . 32 VAL HG12 1 1 5 4110 1 1 32 VAL HG13 H -0.156 -0.615 9.220 1.00 . A A . 32 VAL HG13 1 1 5 4111 1 1 32 VAL HG21 H -0.123 -4.070 6.737 1.00 . A A . 32 VAL HG21 1 1 5 4112 1 1 32 VAL HG22 H -1.209 -2.739 6.384 1.00 . A A . 32 VAL HG22 1 1 5 4113 1 1 32 VAL HG23 H -1.516 -3.784 7.781 1.00 . A A . 32 VAL HG23 1 1 5 4114 1 1 32 VAL N N 0.734 -0.960 6.084 1.00 . A A . 32 VAL N 1 1 5 4115 1 1 32 VAL O O 3.140 -3.227 7.488 1.00 . A A . 32 VAL O 1 1 5 4116 1 1 33 CYS C C 4.224 -4.069 4.532 1.00 . A A . 33 CYS C 1 1 5 4117 1 1 33 CYS CA C 2.880 -4.544 5.114 1.00 . A A . 33 CYS CA 1 1 5 4118 1 1 33 CYS CB C 2.126 -5.426 4.095 1.00 . A A . 33 CYS CB 1 1 5 4119 1 1 33 CYS H H 1.444 -3.016 4.888 1.00 . A A . 33 CYS H 1 1 5 4120 1 1 33 CYS HA H 3.087 -5.131 6.002 1.00 . A A . 33 CYS HA 1 1 5 4121 1 1 33 CYS HB2 H 2.704 -6.288 3.816 1.00 . A A . 33 CYS HB2 1 1 5 4122 1 1 33 CYS HB3 H 1.154 -5.713 4.453 1.00 . A A . 33 CYS HB3 1 1 5 4123 1 1 33 CYS N N 2.062 -3.408 5.539 1.00 . A A . 33 CYS N 1 1 5 4124 1 1 33 CYS O O 5.198 -4.811 4.520 1.00 . A A . 33 CYS O 1 1 5 4125 1 1 33 CYS SG S 1.795 -4.585 2.610 1.00 . A A . 33 CYS SG 1 1 5 4126 1 1 34 VAL C C 6.088 -1.239 4.404 1.00 . A A . 34 VAL C 1 1 5 4127 1 1 34 VAL CA C 5.431 -2.303 3.457 1.00 . A A . 34 VAL CA 1 1 5 4128 1 1 34 VAL CB C 5.083 -1.691 2.080 1.00 . A A . 34 VAL CB 1 1 5 4129 1 1 34 VAL CG1 C 4.299 -0.407 2.197 1.00 . A A . 34 VAL CG1 1 1 5 4130 1 1 34 VAL CG2 C 6.309 -1.511 1.277 1.00 . A A . 34 VAL CG2 1 1 5 4131 1 1 34 VAL H H 3.515 -2.205 4.058 1.00 . A A . 34 VAL H 1 1 5 4132 1 1 34 VAL HA H 6.114 -3.125 3.309 1.00 . A A . 34 VAL HA 1 1 5 4133 1 1 34 VAL HB H 4.437 -2.368 1.540 1.00 . A A . 34 VAL HB 1 1 5 4134 1 1 34 VAL HG11 H 4.908 0.259 2.786 1.00 . A A . 34 VAL HG11 1 1 5 4135 1 1 34 VAL HG12 H 3.323 -0.534 2.653 1.00 . A A . 34 VAL HG12 1 1 5 4136 1 1 34 VAL HG13 H 4.182 0.033 1.218 1.00 . A A . 34 VAL HG13 1 1 5 4137 1 1 34 VAL HG21 H 6.939 -0.862 1.862 1.00 . A A . 34 VAL HG21 1 1 5 4138 1 1 34 VAL HG22 H 6.058 -1.086 0.318 1.00 . A A . 34 VAL HG22 1 1 5 4139 1 1 34 VAL HG23 H 6.725 -2.505 1.203 1.00 . A A . 34 VAL HG23 1 1 5 4140 1 1 34 VAL N N 4.265 -2.826 4.048 1.00 . A A . 34 VAL N 1 1 5 4141 1 1 34 VAL O O 6.993 -0.491 4.010 1.00 . A A . 34 VAL O 1 1 5 4142 1 1 35 GLY C C 6.014 1.190 6.363 1.00 . A A . 35 GLY C 1 1 5 4143 1 1 35 GLY CA C 6.186 -0.310 6.668 1.00 . A A . 35 GLY CA 1 1 5 4144 1 1 35 GLY H H 5.045 -1.954 5.937 1.00 . A A . 35 GLY H 1 1 5 4145 1 1 35 GLY HA2 H 5.688 -0.518 7.603 1.00 . A A . 35 GLY HA2 1 1 5 4146 1 1 35 GLY HA3 H 7.235 -0.526 6.802 1.00 . A A . 35 GLY HA3 1 1 5 4147 1 1 35 GLY N N 5.657 -1.241 5.667 1.00 . A A . 35 GLY N 1 1 5 4148 1 1 35 GLY O O 6.979 1.957 6.479 1.00 . A A . 35 GLY O 1 1 5 4149 1 1 36 VAL C C 3.767 3.590 6.915 1.00 . A A . 36 VAL C 1 1 5 4150 1 1 36 VAL CA C 4.538 3.023 5.732 1.00 . A A . 36 VAL CA 1 1 5 4151 1 1 36 VAL CB C 3.598 3.231 4.486 1.00 . A A . 36 VAL CB 1 1 5 4152 1 1 36 VAL CG1 C 3.306 4.644 4.191 1.00 . A A . 36 VAL CG1 1 1 5 4153 1 1 36 VAL CG2 C 4.116 2.673 3.267 1.00 . A A . 36 VAL CG2 1 1 5 4154 1 1 36 VAL H H 4.092 0.955 5.868 1.00 . A A . 36 VAL H 1 1 5 4155 1 1 36 VAL HA H 5.460 3.563 5.574 1.00 . A A . 36 VAL HA 1 1 5 4156 1 1 36 VAL HB H 2.662 2.741 4.699 1.00 . A A . 36 VAL HB 1 1 5 4157 1 1 36 VAL HG11 H 2.939 5.179 5.053 1.00 . A A . 36 VAL HG11 1 1 5 4158 1 1 36 VAL HG12 H 2.512 4.554 3.460 1.00 . A A . 36 VAL HG12 1 1 5 4159 1 1 36 VAL HG13 H 4.163 5.107 3.719 1.00 . A A . 36 VAL HG13 1 1 5 4160 1 1 36 VAL HG21 H 3.708 3.335 2.511 1.00 . A A . 36 VAL HG21 1 1 5 4161 1 1 36 VAL HG22 H 3.769 1.660 3.158 1.00 . A A . 36 VAL HG22 1 1 5 4162 1 1 36 VAL HG23 H 5.192 2.760 3.312 1.00 . A A . 36 VAL HG23 1 1 5 4163 1 1 36 VAL N N 4.825 1.600 5.982 1.00 . A A . 36 VAL N 1 1 5 4164 1 1 36 VAL O O 3.071 2.843 7.623 1.00 . A A . 36 VAL O 1 1 5 4165 1 1 37 SER C C 2.210 6.483 7.074 1.00 . A A . 37 SER C 1 1 5 4166 1 1 37 SER CA C 3.043 5.566 8.000 1.00 . A A . 37 SER CA 1 1 5 4167 1 1 37 SER CB C 3.876 6.357 9.013 1.00 . A A . 37 SER CB 1 1 5 4168 1 1 37 SER H H 4.487 5.565 6.783 1.00 . A A . 37 SER H 1 1 5 4169 1 1 37 SER HA H 2.417 4.839 8.494 1.00 . A A . 37 SER HA 1 1 5 4170 1 1 37 SER HB2 H 3.231 7.029 9.559 1.00 . A A . 37 SER HB2 1 1 5 4171 1 1 37 SER HB3 H 4.353 5.684 9.708 1.00 . A A . 37 SER HB3 1 1 5 4172 1 1 37 SER HG H 5.474 7.487 9.009 1.00 . A A . 37 SER HG 1 1 5 4173 1 1 37 SER N N 3.892 4.871 7.137 1.00 . A A . 37 SER N 1 1 5 4174 1 1 37 SER O O 2.789 7.129 6.148 1.00 . A A . 37 SER O 1 1 5 4175 1 1 37 SER OG O 4.872 7.118 8.350 1.00 . A A . 37 SER OG 1 1 5 4176 1 1 38 PRO C C 0.448 8.631 5.926 1.00 . A A . 38 PRO C 1 1 5 4177 1 1 38 PRO CA C -0.075 7.257 6.379 1.00 . A A . 38 PRO CA 1 1 5 4178 1 1 38 PRO CB C -1.323 7.428 7.269 1.00 . A A . 38 PRO CB 1 1 5 4179 1 1 38 PRO CD C 0.129 5.762 8.269 1.00 . A A . 38 PRO CD 1 1 5 4180 1 1 38 PRO CG C -1.055 6.645 8.535 1.00 . A A . 38 PRO CG 1 1 5 4181 1 1 38 PRO HA H -0.338 6.676 5.508 1.00 . A A . 38 PRO HA 1 1 5 4182 1 1 38 PRO HB2 H -1.455 8.478 7.484 1.00 . A A . 38 PRO HB2 1 1 5 4183 1 1 38 PRO HB3 H -2.195 7.050 6.754 1.00 . A A . 38 PRO HB3 1 1 5 4184 1 1 38 PRO HD2 H 0.714 5.633 9.167 1.00 . A A . 38 PRO HD2 1 1 5 4185 1 1 38 PRO HD3 H -0.202 4.805 7.893 1.00 . A A . 38 PRO HD3 1 1 5 4186 1 1 38 PRO HG2 H -0.832 7.331 9.339 1.00 . A A . 38 PRO HG2 1 1 5 4187 1 1 38 PRO HG3 H -1.927 6.051 8.781 1.00 . A A . 38 PRO HG3 1 1 5 4188 1 1 38 PRO N N 0.864 6.503 7.242 1.00 . A A . 38 PRO N 1 1 5 4189 1 1 38 PRO O O 0.430 8.952 4.738 1.00 . A A . 38 PRO O 1 1 5 4190 1 1 39 GLU C C 2.587 10.761 5.596 1.00 . A A . 39 GLU C 1 1 5 4191 1 1 39 GLU CA C 1.439 10.743 6.618 1.00 . A A . 39 GLU CA 1 1 5 4192 1 1 39 GLU CB C 1.904 11.388 7.926 1.00 . A A . 39 GLU CB 1 1 5 4193 1 1 39 GLU CD C 2.970 13.361 9.040 1.00 . A A . 39 GLU CD 1 1 5 4194 1 1 39 GLU CG C 2.408 12.812 7.772 1.00 . A A . 39 GLU CG 1 1 5 4195 1 1 39 GLU H H 1.023 8.992 7.764 1.00 . A A . 39 GLU H 1 1 5 4196 1 1 39 GLU HA H 0.601 11.311 6.239 1.00 . A A . 39 GLU HA 1 1 5 4197 1 1 39 GLU HB2 H 1.071 11.397 8.614 1.00 . A A . 39 GLU HB2 1 1 5 4198 1 1 39 GLU HB3 H 2.696 10.785 8.343 1.00 . A A . 39 GLU HB3 1 1 5 4199 1 1 39 GLU HG2 H 3.182 12.831 7.019 1.00 . A A . 39 GLU HG2 1 1 5 4200 1 1 39 GLU HG3 H 1.582 13.437 7.465 1.00 . A A . 39 GLU HG3 1 1 5 4201 1 1 39 GLU N N 0.970 9.392 6.872 1.00 . A A . 39 GLU N 1 1 5 4202 1 1 39 GLU O O 2.605 11.599 4.690 1.00 . A A . 39 GLU O 1 1 5 4203 1 1 39 GLU OE1 O 4.180 13.185 9.275 1.00 . A A . 39 GLU OE1 1 1 5 4204 1 1 39 GLU OE2 O 2.220 13.974 9.815 1.00 . A A . 39 GLU OE2 1 1 5 4205 1 1 40 MET C C 4.312 9.515 3.403 1.00 . A A . 40 MET C 1 1 5 4206 1 1 40 MET CA C 4.653 9.811 4.842 1.00 . A A . 40 MET CA 1 1 5 4207 1 1 40 MET CB C 5.780 8.901 5.357 1.00 . A A . 40 MET CB 1 1 5 4208 1 1 40 MET CE C 8.388 10.821 5.375 1.00 . A A . 40 MET CE 1 1 5 4209 1 1 40 MET CG C 6.388 9.361 6.679 1.00 . A A . 40 MET CG 1 1 5 4210 1 1 40 MET H H 3.224 9.030 6.245 1.00 . A A . 40 MET H 1 1 5 4211 1 1 40 MET HA H 5.007 10.832 4.854 1.00 . A A . 40 MET HA 1 1 5 4212 1 1 40 MET HB2 H 5.391 7.900 5.484 1.00 . A A . 40 MET HB2 1 1 5 4213 1 1 40 MET HB3 H 6.567 8.869 4.619 1.00 . A A . 40 MET HB3 1 1 5 4214 1 1 40 MET HE1 H 8.911 11.760 5.252 1.00 . A A . 40 MET HE1 1 1 5 4215 1 1 40 MET HE2 H 7.952 10.523 4.432 1.00 . A A . 40 MET HE2 1 1 5 4216 1 1 40 MET HE3 H 9.068 10.051 5.714 1.00 . A A . 40 MET HE3 1 1 5 4217 1 1 40 MET HG2 H 5.620 9.348 7.439 1.00 . A A . 40 MET HG2 1 1 5 4218 1 1 40 MET HG3 H 7.175 8.675 6.958 1.00 . A A . 40 MET HG3 1 1 5 4219 1 1 40 MET N N 3.476 9.797 5.685 1.00 . A A . 40 MET N 1 1 5 4220 1 1 40 MET O O 4.752 10.236 2.500 1.00 . A A . 40 MET O 1 1 5 4221 1 1 40 MET SD S 7.086 11.030 6.597 1.00 . A A . 40 MET SD 1 1 5 4222 1 1 41 ALA C C 2.235 9.117 1.137 1.00 . A A . 41 ALA C 1 1 5 4223 1 1 41 ALA CA C 3.133 8.094 1.820 1.00 . A A . 41 ALA CA 1 1 5 4224 1 1 41 ALA CB C 2.422 6.790 1.827 1.00 . A A . 41 ALA CB 1 1 5 4225 1 1 41 ALA H H 3.169 7.923 3.923 1.00 . A A . 41 ALA H 1 1 5 4226 1 1 41 ALA HA H 4.037 7.974 1.244 1.00 . A A . 41 ALA HA 1 1 5 4227 1 1 41 ALA HB1 H 3.041 5.981 2.192 1.00 . A A . 41 ALA HB1 1 1 5 4228 1 1 41 ALA HB2 H 2.083 6.598 0.822 1.00 . A A . 41 ALA HB2 1 1 5 4229 1 1 41 ALA HB3 H 1.583 6.955 2.485 1.00 . A A . 41 ALA HB3 1 1 5 4230 1 1 41 ALA N N 3.512 8.475 3.182 1.00 . A A . 41 ALA N 1 1 5 4231 1 1 41 ALA O O 2.282 9.257 -0.060 1.00 . A A . 41 ALA O 1 1 5 4232 1 1 42 GLU C C 1.148 12.085 0.998 1.00 . A A . 42 GLU C 1 1 5 4233 1 1 42 GLU CA C 0.492 10.739 1.256 1.00 . A A . 42 GLU CA 1 1 5 4234 1 1 42 GLU CB C -0.735 10.921 2.118 1.00 . A A . 42 GLU CB 1 1 5 4235 1 1 42 GLU CD C -2.772 9.934 3.144 1.00 . A A . 42 GLU CD 1 1 5 4236 1 1 42 GLU CG C -1.537 9.658 2.338 1.00 . A A . 42 GLU CG 1 1 5 4237 1 1 42 GLU H H 1.401 9.748 2.861 1.00 . A A . 42 GLU H 1 1 5 4238 1 1 42 GLU HA H 0.191 10.292 0.319 1.00 . A A . 42 GLU HA 1 1 5 4239 1 1 42 GLU HB2 H -0.385 11.248 3.087 1.00 . A A . 42 GLU HB2 1 1 5 4240 1 1 42 GLU HB3 H -1.380 11.674 1.691 1.00 . A A . 42 GLU HB3 1 1 5 4241 1 1 42 GLU HG2 H -1.817 9.262 1.374 1.00 . A A . 42 GLU HG2 1 1 5 4242 1 1 42 GLU HG3 H -0.928 8.930 2.851 1.00 . A A . 42 GLU HG3 1 1 5 4243 1 1 42 GLU N N 1.415 9.816 1.883 1.00 . A A . 42 GLU N 1 1 5 4244 1 1 42 GLU O O 0.668 12.879 0.177 1.00 . A A . 42 GLU O 1 1 5 4245 1 1 42 GLU OE1 O -2.699 9.944 4.387 1.00 . A A . 42 GLU OE1 1 1 5 4246 1 1 42 GLU OE2 O -3.822 10.198 2.537 1.00 . A A . 42 GLU OE2 1 1 5 4247 1 1 43 ASN C C 4.070 13.641 0.651 1.00 . A A . 43 ASN C 1 1 5 4248 1 1 43 ASN CA C 2.897 13.620 1.610 1.00 . A A . 43 ASN CA 1 1 5 4249 1 1 43 ASN CB C 3.280 14.193 2.968 1.00 . A A . 43 ASN CB 1 1 5 4250 1 1 43 ASN CG C 2.098 14.815 3.708 1.00 . A A . 43 ASN CG 1 1 5 4251 1 1 43 ASN H H 2.462 11.639 2.359 1.00 . A A . 43 ASN H 1 1 5 4252 1 1 43 ASN HA H 2.155 14.288 1.193 1.00 . A A . 43 ASN HA 1 1 5 4253 1 1 43 ASN HB2 H 3.685 13.387 3.561 1.00 . A A . 43 ASN HB2 1 1 5 4254 1 1 43 ASN HB3 H 4.048 14.920 2.806 1.00 . A A . 43 ASN HB3 1 1 5 4255 1 1 43 ASN HD21 H 1.733 13.117 4.623 1.00 . A A . 43 ASN HD21 1 1 5 4256 1 1 43 ASN HD22 H 0.676 14.446 5.008 1.00 . A A . 43 ASN HD22 1 1 5 4257 1 1 43 ASN N N 2.211 12.349 1.724 1.00 . A A . 43 ASN N 1 1 5 4258 1 1 43 ASN ND2 N 1.435 14.052 4.530 1.00 . A A . 43 ASN ND2 1 1 5 4259 1 1 43 ASN O O 4.277 14.639 -0.041 1.00 . A A . 43 ASN O 1 1 5 4260 1 1 43 ASN OD1 O 1.806 15.992 3.547 1.00 . A A . 43 ASN OD1 1 1 5 4261 1 1 44 GLU C C 6.005 11.306 -1.127 1.00 . A A . 44 GLU C 1 1 5 4262 1 1 44 GLU CA C 5.991 12.531 -0.290 1.00 . A A . 44 GLU CA 1 1 5 4263 1 1 44 GLU CB C 7.306 12.616 0.494 1.00 . A A . 44 GLU CB 1 1 5 4264 1 1 44 GLU CD C 7.720 15.066 0.100 1.00 . A A . 44 GLU CD 1 1 5 4265 1 1 44 GLU CG C 7.595 13.960 1.121 1.00 . A A . 44 GLU CG 1 1 5 4266 1 1 44 GLU H H 4.550 11.758 1.069 1.00 . A A . 44 GLU H 1 1 5 4267 1 1 44 GLU HA H 5.939 13.384 -0.954 1.00 . A A . 44 GLU HA 1 1 5 4268 1 1 44 GLU HB2 H 7.296 11.876 1.282 1.00 . A A . 44 GLU HB2 1 1 5 4269 1 1 44 GLU HB3 H 8.112 12.382 -0.186 1.00 . A A . 44 GLU HB3 1 1 5 4270 1 1 44 GLU HG2 H 6.747 14.197 1.744 1.00 . A A . 44 GLU HG2 1 1 5 4271 1 1 44 GLU HG3 H 8.494 13.910 1.718 1.00 . A A . 44 GLU HG3 1 1 5 4272 1 1 44 GLU N N 4.816 12.568 0.578 1.00 . A A . 44 GLU N 1 1 5 4273 1 1 44 GLU O O 5.253 10.365 -0.870 1.00 . A A . 44 GLU O 1 1 5 4274 1 1 44 GLU OE1 O 8.402 14.876 -0.930 1.00 . A A . 44 GLU OE1 1 1 5 4275 1 1 44 GLU OE2 O 7.165 16.158 0.325 1.00 . A A . 44 GLU OE2 1 1 5 4276 1 1 45 ASP C C 7.463 9.013 -2.186 1.00 . A A . 45 ASP C 1 1 5 4277 1 1 45 ASP CA C 7.075 10.195 -3.031 1.00 . A A . 45 ASP CA 1 1 5 4278 1 1 45 ASP CB C 8.232 10.492 -4.018 1.00 . A A . 45 ASP CB 1 1 5 4279 1 1 45 ASP CG C 8.066 11.784 -4.781 1.00 . A A . 45 ASP CG 1 1 5 4280 1 1 45 ASP H H 7.382 12.142 -2.316 1.00 . A A . 45 ASP H 1 1 5 4281 1 1 45 ASP HA H 6.176 9.978 -3.585 1.00 . A A . 45 ASP HA 1 1 5 4282 1 1 45 ASP HB2 H 9.160 10.564 -3.469 1.00 . A A . 45 ASP HB2 1 1 5 4283 1 1 45 ASP HB3 H 8.316 9.684 -4.732 1.00 . A A . 45 ASP HB3 1 1 5 4284 1 1 45 ASP N N 6.862 11.330 -2.136 1.00 . A A . 45 ASP N 1 1 5 4285 1 1 45 ASP O O 8.404 9.107 -1.366 1.00 . A A . 45 ASP O 1 1 5 4286 1 1 45 ASP OD1 O 7.465 11.789 -5.873 1.00 . A A . 45 ASP OD1 1 1 5 4287 1 1 45 ASP OD2 O 8.564 12.827 -4.291 1.00 . A A . 45 ASP OD2 1 1 5 4288 1 1 46 TYR C C 7.766 5.702 -2.174 1.00 . A A . 46 TYR C 1 1 5 4289 1 1 46 TYR CA C 7.073 6.834 -1.467 1.00 . A A . 46 TYR CA 1 1 5 4290 1 1 46 TYR CB C 5.871 6.377 -0.625 1.00 . A A . 46 TYR CB 1 1 5 4291 1 1 46 TYR CD1 C 7.025 5.963 1.555 1.00 . A A . 46 TYR CD1 1 1 5 4292 1 1 46 TYR CD2 C 6.214 4.094 0.336 1.00 . A A . 46 TYR CD2 1 1 5 4293 1 1 46 TYR CE1 C 7.539 5.141 2.511 1.00 . A A . 46 TYR CE1 1 1 5 4294 1 1 46 TYR CE2 C 6.733 3.237 1.267 1.00 . A A . 46 TYR CE2 1 1 5 4295 1 1 46 TYR CG C 6.344 5.453 0.457 1.00 . A A . 46 TYR CG 1 1 5 4296 1 1 46 TYR CZ C 7.407 3.777 2.375 1.00 . A A . 46 TYR CZ 1 1 5 4297 1 1 46 TYR H H 6.181 7.822 -3.110 1.00 . A A . 46 TYR H 1 1 5 4298 1 1 46 TYR HA H 7.824 7.213 -0.789 1.00 . A A . 46 TYR HA 1 1 5 4299 1 1 46 TYR HB2 H 5.399 7.242 -0.179 1.00 . A A . 46 TYR HB2 1 1 5 4300 1 1 46 TYR HB3 H 5.173 5.844 -1.252 1.00 . A A . 46 TYR HB3 1 1 5 4301 1 1 46 TYR HD1 H 7.121 7.034 1.655 1.00 . A A . 46 TYR HD1 1 1 5 4302 1 1 46 TYR HD2 H 5.660 3.732 -0.508 1.00 . A A . 46 TYR HD2 1 1 5 4303 1 1 46 TYR HE1 H 8.058 5.559 3.360 1.00 . A A . 46 TYR HE1 1 1 5 4304 1 1 46 TYR HE2 H 6.597 2.175 1.077 1.00 . A A . 46 TYR HE2 1 1 5 4305 1 1 46 TYR HH H 8.420 2.240 2.934 1.00 . A A . 46 TYR HH 1 1 5 4306 1 1 46 TYR N N 6.797 7.910 -2.349 1.00 . A A . 46 TYR N 1 1 5 4307 1 1 46 TYR O O 7.338 5.229 -3.209 1.00 . A A . 46 TYR O 1 1 5 4308 1 1 46 TYR OH O 7.934 2.968 3.332 1.00 . A A . 46 TYR OH 1 1 5 4309 1 1 47 ILE C C 9.942 3.135 -1.278 1.00 . A A . 47 ILE C 1 1 5 4310 1 1 47 ILE CA C 9.708 4.320 -2.181 1.00 . A A . 47 ILE CA 1 1 5 4311 1 1 47 ILE CB C 10.991 5.016 -2.598 1.00 . A A . 47 ILE CB 1 1 5 4312 1 1 47 ILE CD1 C 11.599 6.978 -4.029 1.00 . A A . 47 ILE CD1 1 1 5 4313 1 1 47 ILE CG1 C 10.572 6.043 -3.637 1.00 . A A . 47 ILE CG1 1 1 5 4314 1 1 47 ILE CG2 C 12.004 4.033 -3.178 1.00 . A A . 47 ILE CG2 1 1 5 4315 1 1 47 ILE H H 8.880 5.727 -0.722 1.00 . A A . 47 ILE H 1 1 5 4316 1 1 47 ILE HA H 9.223 3.990 -3.086 1.00 . A A . 47 ILE HA 1 1 5 4317 1 1 47 ILE HB H 11.413 5.549 -1.760 1.00 . A A . 47 ILE HB 1 1 5 4318 1 1 47 ILE HD11 H 12.422 6.416 -4.438 1.00 . A A . 47 ILE HD11 1 1 5 4319 1 1 47 ILE HD12 H 11.845 7.496 -3.116 1.00 . A A . 47 ILE HD12 1 1 5 4320 1 1 47 ILE HD13 H 11.095 7.604 -4.749 1.00 . A A . 47 ILE HD13 1 1 5 4321 1 1 47 ILE HG12 H 10.255 5.536 -4.536 1.00 . A A . 47 ILE HG12 1 1 5 4322 1 1 47 ILE HG13 H 9.734 6.603 -3.251 1.00 . A A . 47 ILE HG13 1 1 5 4323 1 1 47 ILE HG21 H 11.588 3.595 -4.070 1.00 . A A . 47 ILE HG21 1 1 5 4324 1 1 47 ILE HG22 H 12.230 3.263 -2.455 1.00 . A A . 47 ILE HG22 1 1 5 4325 1 1 47 ILE HG23 H 12.908 4.560 -3.430 1.00 . A A . 47 ILE HG23 1 1 5 4326 1 1 47 ILE N N 8.841 5.285 -1.593 1.00 . A A . 47 ILE N 1 1 5 4327 1 1 47 ILE O O 10.281 3.287 -0.111 1.00 . A A . 47 ILE O 1 1 5 4328 1 1 48 CYS C C 11.351 0.348 -1.047 1.00 . A A . 48 CYS C 1 1 5 4329 1 1 48 CYS CA C 9.870 0.720 -1.093 1.00 . A A . 48 CYS CA 1 1 5 4330 1 1 48 CYS CB C 9.070 -0.417 -1.742 1.00 . A A . 48 CYS CB 1 1 5 4331 1 1 48 CYS H H 9.384 1.958 -2.750 1.00 . A A . 48 CYS H 1 1 5 4332 1 1 48 CYS HA H 9.510 0.871 -0.086 1.00 . A A . 48 CYS HA 1 1 5 4333 1 1 48 CYS HB2 H 9.019 -1.210 -1.011 1.00 . A A . 48 CYS HB2 1 1 5 4334 1 1 48 CYS HB3 H 8.068 -0.077 -1.942 1.00 . A A . 48 CYS HB3 1 1 5 4335 1 1 48 CYS N N 9.702 1.948 -1.826 1.00 . A A . 48 CYS N 1 1 5 4336 1 1 48 CYS O O 12.161 0.918 -1.787 1.00 . A A . 48 CYS O 1 1 5 4337 1 1 48 CYS SG S 9.786 -1.151 -3.263 1.00 . A A . 48 CYS SG 1 1 5 4338 1 1 49 ILE C C 13.633 -1.752 -1.256 1.00 . A A . 49 ILE C 1 1 5 4339 1 1 49 ILE CA C 13.051 -1.075 -0.044 1.00 . A A . 49 ILE CA 1 1 5 4340 1 1 49 ILE CB C 13.167 -1.898 1.220 1.00 . A A . 49 ILE CB 1 1 5 4341 1 1 49 ILE CD1 C 12.832 -4.321 0.452 1.00 . A A . 49 ILE CD1 1 1 5 4342 1 1 49 ILE CG1 C 12.300 -3.126 1.224 1.00 . A A . 49 ILE CG1 1 1 5 4343 1 1 49 ILE CG2 C 12.744 -1.023 2.353 1.00 . A A . 49 ILE CG2 1 1 5 4344 1 1 49 ILE H H 11.024 -1.151 0.281 1.00 . A A . 49 ILE H 1 1 5 4345 1 1 49 ILE HA H 13.586 -0.165 0.146 1.00 . A A . 49 ILE HA 1 1 5 4346 1 1 49 ILE HB H 14.199 -2.174 1.344 1.00 . A A . 49 ILE HB 1 1 5 4347 1 1 49 ILE HD11 H 13.803 -4.593 0.845 1.00 . A A . 49 ILE HD11 1 1 5 4348 1 1 49 ILE HD12 H 12.922 -4.063 -0.593 1.00 . A A . 49 ILE HD12 1 1 5 4349 1 1 49 ILE HD13 H 12.151 -5.149 0.579 1.00 . A A . 49 ILE HD13 1 1 5 4350 1 1 49 ILE HG12 H 12.302 -3.287 2.279 1.00 . A A . 49 ILE HG12 1 1 5 4351 1 1 49 ILE HG13 H 11.299 -2.864 0.909 1.00 . A A . 49 ILE HG13 1 1 5 4352 1 1 49 ILE HG21 H 11.736 -0.764 2.061 1.00 . A A . 49 ILE HG21 1 1 5 4353 1 1 49 ILE HG22 H 13.366 -0.141 2.386 1.00 . A A . 49 ILE HG22 1 1 5 4354 1 1 49 ILE HG23 H 12.732 -1.549 3.294 1.00 . A A . 49 ILE HG23 1 1 5 4355 1 1 49 ILE N N 11.686 -0.649 -0.235 1.00 . A A . 49 ILE N 1 1 5 4356 1 1 49 ILE O O 14.835 -1.834 -1.432 1.00 . A A . 49 ILE O 1 1 5 4357 1 1 50 ASN C C 13.609 -1.758 -4.360 1.00 . A A . 50 ASN C 1 1 5 4358 1 1 50 ASN CA C 13.115 -2.818 -3.375 1.00 . A A . 50 ASN CA 1 1 5 4359 1 1 50 ASN CB C 11.923 -3.567 -4.018 1.00 . A A . 50 ASN CB 1 1 5 4360 1 1 50 ASN CG C 11.389 -4.751 -3.223 1.00 . A A . 50 ASN CG 1 1 5 4361 1 1 50 ASN H H 11.828 -2.060 -1.783 1.00 . A A . 50 ASN H 1 1 5 4362 1 1 50 ASN HA H 13.918 -3.517 -3.194 1.00 . A A . 50 ASN HA 1 1 5 4363 1 1 50 ASN HB2 H 11.115 -2.869 -4.163 1.00 . A A . 50 ASN HB2 1 1 5 4364 1 1 50 ASN HB3 H 12.230 -3.921 -4.989 1.00 . A A . 50 ASN HB3 1 1 5 4365 1 1 50 ASN HD21 H 9.574 -4.462 -3.961 1.00 . A A . 50 ASN HD21 1 1 5 4366 1 1 50 ASN HD22 H 9.762 -5.793 -2.882 1.00 . A A . 50 ASN HD22 1 1 5 4367 1 1 50 ASN N N 12.745 -2.190 -2.099 1.00 . A A . 50 ASN N 1 1 5 4368 1 1 50 ASN ND2 N 10.115 -5.022 -3.364 1.00 . A A . 50 ASN ND2 1 1 5 4369 1 1 50 ASN O O 14.352 -2.056 -5.280 1.00 . A A . 50 ASN O 1 1 5 4370 1 1 50 ASN OD1 O 12.114 -5.411 -2.504 1.00 . A A . 50 ASN OD1 1 1 5 4371 1 1 51 CYS C C 14.563 1.517 -4.371 1.00 . A A . 51 CYS C 1 1 5 4372 1 1 51 CYS CA C 13.553 0.580 -5.039 1.00 . A A . 51 CYS CA 1 1 5 4373 1 1 51 CYS CB C 12.308 1.352 -5.484 1.00 . A A . 51 CYS CB 1 1 5 4374 1 1 51 CYS H H 12.614 -0.360 -3.373 1.00 . A A . 51 CYS H 1 1 5 4375 1 1 51 CYS HA H 14.016 0.143 -5.909 1.00 . A A . 51 CYS HA 1 1 5 4376 1 1 51 CYS HB2 H 11.778 1.692 -4.608 1.00 . A A . 51 CYS HB2 1 1 5 4377 1 1 51 CYS HB3 H 12.565 2.198 -6.109 1.00 . A A . 51 CYS HB3 1 1 5 4378 1 1 51 CYS N N 13.183 -0.521 -4.154 1.00 . A A . 51 CYS N 1 1 5 4379 1 1 51 CYS O O 15.048 2.462 -4.984 1.00 . A A . 51 CYS O 1 1 5 4380 1 1 51 CYS SG S 11.130 0.368 -6.420 1.00 . A A . 51 CYS SG 1 1 5 4381 1 1 52 ALA C C 17.203 2.150 -3.000 1.00 . A A . 52 ALA C 1 1 5 4382 1 1 52 ALA CA C 15.817 2.060 -2.336 1.00 . A A . 52 ALA CA 1 1 5 4383 1 1 52 ALA CB C 15.942 1.514 -0.922 1.00 . A A . 52 ALA CB 1 1 5 4384 1 1 52 ALA H H 14.439 0.450 -2.725 1.00 . A A . 52 ALA H 1 1 5 4385 1 1 52 ALA HA H 15.399 3.054 -2.278 1.00 . A A . 52 ALA HA 1 1 5 4386 1 1 52 ALA HB1 H 16.377 0.526 -0.963 1.00 . A A . 52 ALA HB1 1 1 5 4387 1 1 52 ALA HB2 H 14.963 1.450 -0.472 1.00 . A A . 52 ALA HB2 1 1 5 4388 1 1 52 ALA HB3 H 16.579 2.154 -0.329 1.00 . A A . 52 ALA HB3 1 1 5 4389 1 1 52 ALA N N 14.877 1.236 -3.117 1.00 . A A . 52 ALA N 1 1 5 4390 2 2 1 ALA C C 1.215 9.249 -3.821 1.00 . B B . 301 ALA C 1 1 5 4391 2 2 1 ALA CA C 2.739 9.166 -3.756 1.00 . B B . 301 ALA CA 1 1 5 4392 2 2 1 ALA CB C 3.166 8.071 -2.781 1.00 . B B . 301 ALA CB 1 1 5 4393 2 2 1 ALA HA H 3.093 8.891 -4.739 1.00 . B B . 301 ALA HA 1 1 5 4394 2 2 1 ALA HB1 H 2.790 7.116 -3.125 1.00 . B B . 301 ALA HB1 1 1 5 4395 2 2 1 ALA HB2 H 2.766 8.286 -1.802 1.00 . B B . 301 ALA HB2 1 1 5 4396 2 2 1 ALA HB3 H 4.243 8.031 -2.729 1.00 . B B . 301 ALA HB3 1 1 5 4397 2 2 1 ALA N N 3.349 10.475 -3.401 1.00 . B B . 301 ALA N 1 1 5 4398 2 2 1 ALA O O 0.609 10.321 -3.637 1.00 . B B . 301 ALA O 1 1 5 4399 2 2 2 ARG C C -1.306 6.839 -3.429 1.00 . B B . 302 ARG C 1 1 5 4400 2 2 2 ARG CA C -0.823 8.049 -4.194 1.00 . B B . 302 ARG CA 1 1 5 4401 2 2 2 ARG CB C -1.238 7.978 -5.660 1.00 . B B . 302 ARG CB 1 1 5 4402 2 2 2 ARG CD C -3.040 7.889 -7.387 1.00 . B B . 302 ARG CD 1 1 5 4403 2 2 2 ARG CG C -2.736 7.929 -5.903 1.00 . B B . 302 ARG CG 1 1 5 4404 2 2 2 ARG CZ C -2.756 6.262 -9.243 1.00 . B B . 302 ARG CZ 1 1 5 4405 2 2 2 ARG H H 1.123 7.315 -4.230 1.00 . B B . 302 ARG H 1 1 5 4406 2 2 2 ARG HA H -1.246 8.939 -3.751 1.00 . B B . 302 ARG HA 1 1 5 4407 2 2 2 ARG HB2 H -0.843 8.851 -6.160 1.00 . B B . 302 ARG HB2 1 1 5 4408 2 2 2 ARG HB3 H -0.797 7.094 -6.100 1.00 . B B . 302 ARG HB3 1 1 5 4409 2 2 2 ARG HD2 H -4.109 7.830 -7.530 1.00 . B B . 302 ARG HD2 1 1 5 4410 2 2 2 ARG HD3 H -2.675 8.798 -7.840 1.00 . B B . 302 ARG HD3 1 1 5 4411 2 2 2 ARG HE H -1.631 6.355 -7.568 1.00 . B B . 302 ARG HE 1 1 5 4412 2 2 2 ARG HG2 H -3.153 7.046 -5.442 1.00 . B B . 302 ARG HG2 1 1 5 4413 2 2 2 ARG HG3 H -3.197 8.810 -5.483 1.00 . B B . 302 ARG HG3 1 1 5 4414 2 2 2 ARG HH11 H -4.323 7.550 -9.523 1.00 . B B . 302 ARG HH11 1 1 5 4415 2 2 2 ARG HH12 H -4.094 6.465 -10.789 1.00 . B B . 302 ARG HH12 1 1 5 4416 2 2 2 ARG HH21 H -1.296 4.835 -9.309 1.00 . B B . 302 ARG HH21 1 1 5 4417 2 2 2 ARG HH22 H -2.328 4.865 -10.664 1.00 . B B . 302 ARG HH22 1 1 5 4418 2 2 2 ARG N N 0.596 8.128 -4.094 1.00 . B B . 302 ARG N 1 1 5 4419 2 2 2 ARG NE N -2.395 6.742 -8.053 1.00 . B B . 302 ARG NE 1 1 5 4420 2 2 2 ARG NH1 N -3.788 6.787 -9.892 1.00 . B B . 302 ARG NH1 1 1 5 4421 2 2 2 ARG NH2 N -2.087 5.254 -9.775 1.00 . B B . 302 ARG NH2 1 1 5 4422 2 2 2 ARG O O -0.777 5.740 -3.594 1.00 . B B . 302 ARG O 1 1 5 4423 2 2 3 THR C C -4.245 5.696 -2.172 1.00 . B B . 303 THR C 1 1 5 4424 2 2 3 THR CA C -2.808 6.016 -1.754 1.00 . B B . 303 THR CA 1 1 5 4425 2 2 3 THR CB C -2.761 6.478 -0.296 1.00 . B B . 303 THR CB 1 1 5 4426 2 2 3 THR CG2 C -1.334 6.464 0.202 1.00 . B B . 303 THR CG2 1 1 5 4427 2 2 3 THR H H -2.653 7.937 -2.443 1.00 . B B . 303 THR H 1 1 5 4428 2 2 3 THR HA H -2.176 5.144 -1.854 1.00 . B B . 303 THR HA 1 1 5 4429 2 2 3 THR HB H -3.365 5.822 0.315 1.00 . B B . 303 THR HB 1 1 5 4430 2 2 3 THR HG1 H -3.360 8.100 0.699 1.00 . B B . 303 THR HG1 1 1 5 4431 2 2 3 THR HG21 H -1.297 6.711 1.253 1.00 . B B . 303 THR HG21 1 1 5 4432 2 2 3 THR HG22 H -0.740 7.154 -0.380 1.00 . B B . 303 THR HG22 1 1 5 4433 2 2 3 THR HG23 H -0.976 5.457 0.045 1.00 . B B . 303 THR HG23 1 1 5 4434 2 2 3 THR N N -2.258 7.050 -2.577 1.00 . B B . 303 THR N 1 1 5 4435 2 2 3 THR O O -4.817 6.398 -3.006 1.00 . B B . 303 THR O 1 1 5 4436 2 2 3 THR OG1 O -3.290 7.813 -0.219 1.00 . B B . 303 THR OG1 1 1 5 4437 2 2 4 . C C -6.731 3.228 -0.923 1.00 . B B . 304 M3L C 1 1 5 4438 2 2 4 . CA C -6.201 4.225 -1.943 1.00 . B B . 304 M3L CA 1 1 5 4439 2 2 4 . CB C -6.225 3.558 -3.335 1.00 . B B . 304 M3L CB 1 1 5 4440 2 2 4 . CD C -5.121 1.759 -4.734 1.00 . B B . 304 M3L CD 1 1 5 4441 2 2 4 . CE C -6.291 0.933 -5.209 1.00 . B B . 304 M3L CE 1 1 5 4442 2 2 4 . CG C -5.283 2.405 -3.382 1.00 . B B . 304 M3L CG 1 1 5 4443 2 2 4 . CM1 C -4.780 -0.639 -6.426 1.00 . B B . 304 M3L CM1 1 1 5 4444 2 2 4 . CM2 C -5.753 1.309 -7.586 1.00 . B B . 304 M3L CM2 1 1 5 4445 2 2 4 . CM3 C -7.086 -0.621 -6.949 1.00 . B B . 304 M3L CM3 1 1 5 4446 2 2 4 . H H -4.297 4.136 -0.935 1.00 . B B . 304 M3L H 1 1 5 4447 2 2 4 . HA H -6.832 5.100 -1.966 1.00 . B B . 304 M3L HA 1 1 5 4448 2 2 4 . HB2 H -5.935 4.273 -4.093 1.00 . B B . 304 M3L HB2 1 1 5 4449 2 2 4 . HB3 H -7.215 3.172 -3.539 1.00 . B B . 304 M3L HB3 1 1 5 4450 2 2 4 . HD2 H -4.220 1.165 -4.705 1.00 . B B . 304 M3L HD2 1 1 5 4451 2 2 4 . HD3 H -4.976 2.580 -5.412 1.00 . B B . 304 M3L HD3 1 1 5 4452 2 2 4 . HE2 H -7.154 1.574 -5.333 1.00 . B B . 304 M3L HE2 1 1 5 4453 2 2 4 . HE3 H -6.482 0.201 -4.440 1.00 . B B . 304 M3L HE3 1 1 5 4454 2 2 4 . HG2 H -5.636 1.680 -2.666 1.00 . B B . 304 M3L HG2 1 1 5 4455 2 2 4 . HG3 H -4.312 2.782 -3.097 1.00 . B B . 304 M3L HG3 1 1 5 4456 2 2 4 . HM11 H -3.892 -0.084 -6.154 1.00 . B B . 304 M3L HM11 1 1 5 4457 2 2 4 . HM12 H -4.517 -1.119 -7.358 1.00 . B B . 304 M3L HM12 1 1 5 4458 2 2 4 . HM13 H -4.881 -1.437 -5.701 1.00 . B B . 304 M3L HM13 1 1 5 4459 2 2 4 . HM21 H -6.294 2.226 -7.390 1.00 . B B . 304 M3L HM21 1 1 5 4460 2 2 4 . HM22 H -6.027 0.989 -8.580 1.00 . B B . 304 M3L HM22 1 1 5 4461 2 2 4 . HM23 H -4.712 1.590 -7.652 1.00 . B B . 304 M3L HM23 1 1 5 4462 2 2 4 . HM31 H -7.488 -1.172 -6.112 1.00 . B B . 304 M3L HM31 1 1 5 4463 2 2 4 . HM32 H -6.787 -1.362 -7.679 1.00 . B B . 304 M3L HM32 1 1 5 4464 2 2 4 . HM33 H -7.913 -0.078 -7.381 1.00 . B B . 304 M3L HM33 1 1 5 4465 2 2 4 . N N -4.817 4.643 -1.602 1.00 . B B . 304 M3L N 1 1 5 4466 2 2 4 . NZ N -5.981 0.247 -6.542 1.00 . B B . 304 M3L NZ 1 1 5 4467 2 2 4 . O O -5.993 2.769 -0.044 1.00 . B B . 304 M3L O 1 1 5 4468 2 2 5 GLN C C -9.584 1.078 -1.180 1.00 . B B . 305 GLN C 1 1 5 4469 2 2 5 GLN CA C -8.683 1.897 -0.264 1.00 . B B . 305 GLN CA 1 1 5 4470 2 2 5 GLN CB C -9.524 2.529 0.863 1.00 . B B . 305 GLN CB 1 1 5 4471 2 2 5 GLN CD C -9.635 3.822 3.018 1.00 . B B . 305 GLN CD 1 1 5 4472 2 2 5 GLN CG C -8.736 3.224 1.957 1.00 . B B . 305 GLN CG 1 1 5 4473 2 2 5 GLN H H -8.541 3.355 -1.750 1.00 . B B . 305 GLN H 1 1 5 4474 2 2 5 GLN HA H -7.929 1.250 0.162 1.00 . B B . 305 GLN HA 1 1 5 4475 2 2 5 GLN HB2 H -10.180 3.267 0.429 1.00 . B B . 305 GLN HB2 1 1 5 4476 2 2 5 GLN HB3 H -10.130 1.766 1.327 1.00 . B B . 305 GLN HB3 1 1 5 4477 2 2 5 GLN HE21 H -9.743 5.521 2.022 1.00 . B B . 305 GLN HE21 1 1 5 4478 2 2 5 GLN HE22 H -10.625 5.449 3.504 1.00 . B B . 305 GLN HE22 1 1 5 4479 2 2 5 GLN HG2 H -8.091 2.494 2.423 1.00 . B B . 305 GLN HG2 1 1 5 4480 2 2 5 GLN HG3 H -8.124 4.006 1.534 1.00 . B B . 305 GLN HG3 1 1 5 4481 2 2 5 GLN N N -8.002 2.902 -1.062 1.00 . B B . 305 GLN N 1 1 5 4482 2 2 5 GLN NE2 N -10.037 5.050 2.828 1.00 . B B . 305 GLN NE2 1 1 5 4483 2 2 5 GLN O O -10.320 1.638 -1.991 1.00 . B B . 305 GLN O 1 1 5 4484 2 2 5 GLN OE1 O -9.976 3.169 4.004 1.00 . B B . 305 GLN OE1 1 1 5 4485 2 2 6 THR C C -11.460 -1.704 -1.136 1.00 . B B . 306 THR C 1 1 5 4486 2 2 6 THR CA C -10.338 -1.054 -1.936 1.00 . B B . 306 THR CA 1 1 5 4487 2 2 6 THR CB C -9.497 -2.157 -2.648 1.00 . B B . 306 THR CB 1 1 5 4488 2 2 6 THR CG2 C -8.429 -1.545 -3.562 1.00 . B B . 306 THR CG2 1 1 5 4489 2 2 6 THR H H -8.926 -0.608 -0.406 1.00 . B B . 306 THR H 1 1 5 4490 2 2 6 THR HA H -10.778 -0.418 -2.689 1.00 . B B . 306 THR HA 1 1 5 4491 2 2 6 THR HB H -10.163 -2.772 -3.237 1.00 . B B . 306 THR HB 1 1 5 4492 2 2 6 THR HG1 H -9.501 -3.031 -0.935 1.00 . B B . 306 THR HG1 1 1 5 4493 2 2 6 THR HG21 H -7.739 -0.948 -2.980 1.00 . B B . 306 THR HG21 1 1 5 4494 2 2 6 THR HG22 H -8.883 -0.925 -4.316 1.00 . B B . 306 THR HG22 1 1 5 4495 2 2 6 THR HG23 H -7.842 -2.325 -4.028 1.00 . B B . 306 THR HG23 1 1 5 4496 2 2 6 THR N N -9.522 -0.215 -1.079 1.00 . B B . 306 THR N 1 1 5 4497 2 2 6 THR O O -11.196 -2.559 -0.291 1.00 . B B . 306 THR O 1 1 5 4498 2 2 6 THR OG1 O -8.862 -2.994 -1.662 1.00 . B B . 306 THR OG1 1 1 5 4499 2 2 7 ALA C C -14.096 -3.274 -1.192 1.00 . B B . 307 ALA C 1 1 5 4500 2 2 7 ALA CA C -13.856 -1.847 -0.710 1.00 . B B . 307 ALA CA 1 1 5 4501 2 2 7 ALA CB C -15.081 -0.984 -0.978 1.00 . B B . 307 ALA CB 1 1 5 4502 2 2 7 ALA H H -12.830 -0.586 -2.062 1.00 . B B . 307 ALA H 1 1 5 4503 2 2 7 ALA HA H -13.661 -1.854 0.354 1.00 . B B . 307 ALA HA 1 1 5 4504 2 2 7 ALA HB1 H -14.895 0.017 -0.620 1.00 . B B . 307 ALA HB1 1 1 5 4505 2 2 7 ALA HB2 H -15.939 -1.404 -0.473 1.00 . B B . 307 ALA HB2 1 1 5 4506 2 2 7 ALA HB3 H -15.283 -0.958 -2.039 1.00 . B B . 307 ALA HB3 1 1 5 4507 2 2 7 ALA N N -12.694 -1.286 -1.389 1.00 . B B . 307 ALA N 1 1 5 4508 2 2 7 ALA O O -14.024 -3.548 -2.399 1.00 . B B . 307 ALA O 1 1 5 4509 2 2 8 ARG C C -15.961 -5.983 -0.237 1.00 . B B . 308 ARG C 1 1 5 4510 2 2 8 ARG CA C -14.556 -5.559 -0.618 1.00 . B B . 308 ARG CA 1 1 5 4511 2 2 8 ARG CB C -13.489 -6.444 0.059 1.00 . B B . 308 ARG CB 1 1 5 4512 2 2 8 ARG CD C -11.845 -6.244 -1.846 1.00 . B B . 308 ARG CD 1 1 5 4513 2 2 8 ARG CG C -12.055 -6.083 -0.343 1.00 . B B . 308 ARG CG 1 1 5 4514 2 2 8 ARG CZ C -10.044 -5.892 -3.531 1.00 . B B . 308 ARG CZ 1 1 5 4515 2 2 8 ARG H H -14.421 -3.909 0.666 1.00 . B B . 308 ARG H 1 1 5 4516 2 2 8 ARG HA H -14.469 -5.657 -1.691 1.00 . B B . 308 ARG HA 1 1 5 4517 2 2 8 ARG HB2 H -13.589 -6.345 1.128 1.00 . B B . 308 ARG HB2 1 1 5 4518 2 2 8 ARG HB3 H -13.663 -7.473 -0.211 1.00 . B B . 308 ARG HB3 1 1 5 4519 2 2 8 ARG HD2 H -11.923 -7.291 -2.099 1.00 . B B . 308 ARG HD2 1 1 5 4520 2 2 8 ARG HD3 H -12.608 -5.697 -2.379 1.00 . B B . 308 ARG HD3 1 1 5 4521 2 2 8 ARG HE H -10.020 -5.295 -1.588 1.00 . B B . 308 ARG HE 1 1 5 4522 2 2 8 ARG HG2 H -11.874 -5.051 -0.074 1.00 . B B . 308 ARG HG2 1 1 5 4523 2 2 8 ARG HG3 H -11.366 -6.727 0.185 1.00 . B B . 308 ARG HG3 1 1 5 4524 2 2 8 ARG HH11 H -11.597 -7.016 -4.254 1.00 . B B . 308 ARG HH11 1 1 5 4525 2 2 8 ARG HH12 H -10.376 -6.706 -5.383 1.00 . B B . 308 ARG HH12 1 1 5 4526 2 2 8 ARG HH21 H -8.326 -4.835 -3.183 1.00 . B B . 308 ARG HH21 1 1 5 4527 2 2 8 ARG HH22 H -8.489 -5.438 -4.770 1.00 . B B . 308 ARG HH22 1 1 5 4528 2 2 8 ARG N N -14.352 -4.174 -0.276 1.00 . B B . 308 ARG N 1 1 5 4529 2 2 8 ARG NE N -10.528 -5.766 -2.284 1.00 . B B . 308 ARG NE 1 1 5 4530 2 2 8 ARG NH1 N -10.714 -6.581 -4.443 1.00 . B B . 308 ARG NH1 1 1 5 4531 2 2 8 ARG NH2 N -8.873 -5.354 -3.844 1.00 . B B . 308 ARG NH2 1 1 5 4532 2 2 8 ARG O O -16.577 -5.392 0.654 1.00 . B B . 308 ARG O 1 1 5 4533 2 2 9 LYS C C -17.932 -8.376 0.563 1.00 . B B . 309 LYS C 1 1 5 4534 2 2 9 LYS CA C -17.855 -7.438 -0.648 1.00 . B B . 309 LYS CA 1 1 5 4535 2 2 9 LYS CB C -18.461 -8.104 -1.898 1.00 . B B . 309 LYS CB 1 1 5 4536 2 2 9 LYS CD C -18.357 -9.876 -3.670 1.00 . B B . 309 LYS CD 1 1 5 4537 2 2 9 LYS CE C -17.606 -11.092 -4.209 1.00 . B B . 309 LYS CE 1 1 5 4538 2 2 9 LYS CG C -17.695 -9.311 -2.422 1.00 . B B . 309 LYS CG 1 1 5 4539 2 2 9 LYS H H -15.944 -7.438 -1.597 1.00 . B B . 309 LYS H 1 1 5 4540 2 2 9 LYS HA H -18.443 -6.560 -0.419 1.00 . B B . 309 LYS HA 1 1 5 4541 2 2 9 LYS HB2 H -19.460 -8.434 -1.651 1.00 . B B . 309 LYS HB2 1 1 5 4542 2 2 9 LYS HB3 H -18.521 -7.364 -2.681 1.00 . B B . 309 LYS HB3 1 1 5 4543 2 2 9 LYS HD2 H -19.362 -10.166 -3.412 1.00 . B B . 309 LYS HD2 1 1 5 4544 2 2 9 LYS HD3 H -18.384 -9.109 -4.429 1.00 . B B . 309 LYS HD3 1 1 5 4545 2 2 9 LYS HE2 H -16.596 -10.808 -4.463 1.00 . B B . 309 LYS HE2 1 1 5 4546 2 2 9 LYS HE3 H -17.579 -11.838 -3.430 1.00 . B B . 309 LYS HE3 1 1 5 4547 2 2 9 LYS HG2 H -16.683 -9.018 -2.661 1.00 . B B . 309 LYS HG2 1 1 5 4548 2 2 9 LYS HG3 H -17.679 -10.076 -1.659 1.00 . B B . 309 LYS HG3 1 1 5 4549 2 2 9 LYS HZ1 H -18.268 -11.028 -6.225 1.00 . B B . 309 LYS HZ1 1 1 5 4550 2 2 9 LYS HZ2 H -19.239 -11.975 -5.212 1.00 . B B . 309 LYS HZ2 1 1 5 4551 2 2 9 LYS HZ3 H -17.738 -12.530 -5.703 1.00 . B B . 309 LYS HZ3 1 1 5 4552 2 2 9 LYS N N -16.482 -6.981 -0.915 1.00 . B B . 309 LYS N 1 1 5 4553 2 2 9 LYS NZ N -18.261 -11.680 -5.413 1.00 . B B . 309 LYS NZ 1 1 5 4554 3 3 1 ZN ZN ZN 9.243 0.051 -5.155 1.00 . C A . 53 ZN ZN 1 1 5 4555 4 3 1 ZN ZN ZN 0.373 -5.781 1.248 1.00 . D A . 54 ZN ZN 1 1 6 4556 1 1 1 SER C C -4.616 -8.630 -1.550 1.00 . A A . 1 SER C 1 1 6 4557 1 1 1 SER CA C -6.072 -8.656 -2.023 1.00 . A A . 1 SER CA 1 1 6 4558 1 1 1 SER CB C -6.673 -10.066 -1.873 1.00 . A A . 1 SER CB 1 1 6 4559 1 1 1 SER HA H -6.639 -7.961 -1.417 1.00 . A A . 1 SER HA 1 1 6 4560 1 1 1 SER HB2 H -6.120 -10.752 -2.498 1.00 . A A . 1 SER HB2 1 1 6 4561 1 1 1 SER HB3 H -6.609 -10.380 -0.840 1.00 . A A . 1 SER HB3 1 1 6 4562 1 1 1 SER HG H -8.214 -10.861 -2.801 1.00 . A A . 1 SER HG 1 1 6 4563 1 1 1 SER N N -6.182 -8.206 -3.438 1.00 . A A . 1 SER N 1 1 6 4564 1 1 1 SER O O -4.311 -8.239 -0.405 1.00 . A A . 1 SER O 1 1 6 4565 1 1 1 SER OG O -8.046 -10.071 -2.277 1.00 . A A . 1 SER OG 1 1 6 4566 1 1 2 VAL C C -1.639 -7.920 -2.896 1.00 . A A . 2 VAL C 1 1 6 4567 1 1 2 VAL CA C -2.324 -9.057 -2.141 1.00 . A A . 2 VAL CA 1 1 6 4568 1 1 2 VAL CB C -1.674 -10.405 -2.588 1.00 . A A . 2 VAL CB 1 1 6 4569 1 1 2 VAL CG1 C -0.227 -10.517 -2.121 1.00 . A A . 2 VAL CG1 1 1 6 4570 1 1 2 VAL CG2 C -2.474 -11.597 -2.138 1.00 . A A . 2 VAL CG2 1 1 6 4571 1 1 2 VAL H H -4.011 -9.203 -3.350 1.00 . A A . 2 VAL H 1 1 6 4572 1 1 2 VAL HA H -2.245 -8.934 -1.067 1.00 . A A . 2 VAL HA 1 1 6 4573 1 1 2 VAL HB H -1.648 -10.399 -3.669 1.00 . A A . 2 VAL HB 1 1 6 4574 1 1 2 VAL HG11 H -0.180 -10.459 -1.044 1.00 . A A . 2 VAL HG11 1 1 6 4575 1 1 2 VAL HG12 H 0.348 -9.710 -2.547 1.00 . A A . 2 VAL HG12 1 1 6 4576 1 1 2 VAL HG13 H 0.190 -11.457 -2.450 1.00 . A A . 2 VAL HG13 1 1 6 4577 1 1 2 VAL HG21 H -1.997 -12.497 -2.499 1.00 . A A . 2 VAL HG21 1 1 6 4578 1 1 2 VAL HG22 H -3.477 -11.533 -2.531 1.00 . A A . 2 VAL HG22 1 1 6 4579 1 1 2 VAL HG23 H -2.490 -11.615 -1.060 1.00 . A A . 2 VAL HG23 1 1 6 4580 1 1 2 VAL N N -3.730 -8.995 -2.436 1.00 . A A . 2 VAL N 1 1 6 4581 1 1 2 VAL O O -2.033 -7.583 -4.007 1.00 . A A . 2 VAL O 1 1 6 4582 1 1 3 CYS C C 1.462 -6.853 -3.140 1.00 . A A . 3 CYS C 1 1 6 4583 1 1 3 CYS CA C 0.078 -6.262 -2.853 1.00 . A A . 3 CYS CA 1 1 6 4584 1 1 3 CYS CB C 0.250 -5.205 -1.825 1.00 . A A . 3 CYS CB 1 1 6 4585 1 1 3 CYS H H -0.366 -7.668 -1.418 1.00 . A A . 3 CYS H 1 1 6 4586 1 1 3 CYS HA H -0.396 -5.877 -3.741 1.00 . A A . 3 CYS HA 1 1 6 4587 1 1 3 CYS HB2 H 0.465 -4.267 -2.315 1.00 . A A . 3 CYS HB2 1 1 6 4588 1 1 3 CYS HB3 H -0.665 -5.107 -1.258 1.00 . A A . 3 CYS HB3 1 1 6 4589 1 1 3 CYS N N -0.673 -7.340 -2.285 1.00 . A A . 3 CYS N 1 1 6 4590 1 1 3 CYS O O 1.704 -8.009 -2.767 1.00 . A A . 3 CYS O 1 1 6 4591 1 1 3 CYS SG S 1.562 -5.627 -0.682 1.00 . A A . 3 CYS SG 1 1 6 4592 1 1 4 ALA C C 4.711 -6.274 -2.990 1.00 . A A . 4 ALA C 1 1 6 4593 1 1 4 ALA CA C 3.635 -6.764 -3.947 1.00 . A A . 4 ALA CA 1 1 6 4594 1 1 4 ALA CB C 4.087 -6.633 -5.354 1.00 . A A . 4 ALA CB 1 1 6 4595 1 1 4 ALA H H 2.064 -5.204 -3.925 1.00 . A A . 4 ALA H 1 1 6 4596 1 1 4 ALA HA H 3.483 -7.815 -3.751 1.00 . A A . 4 ALA HA 1 1 6 4597 1 1 4 ALA HB1 H 4.985 -7.219 -5.479 1.00 . A A . 4 ALA HB1 1 1 6 4598 1 1 4 ALA HB2 H 4.284 -5.586 -5.530 1.00 . A A . 4 ALA HB2 1 1 6 4599 1 1 4 ALA HB3 H 3.315 -6.985 -6.021 1.00 . A A . 4 ALA HB3 1 1 6 4600 1 1 4 ALA N N 2.371 -6.123 -3.750 1.00 . A A . 4 ALA N 1 1 6 4601 1 1 4 ALA O O 5.605 -5.516 -3.343 1.00 . A A . 4 ALA O 1 1 6 4602 1 1 5 ALA C C 6.111 -8.008 -0.474 1.00 . A A . 5 ALA C 1 1 6 4603 1 1 5 ALA CA C 5.620 -6.597 -0.783 1.00 . A A . 5 ALA CA 1 1 6 4604 1 1 5 ALA CB C 5.191 -5.859 0.497 1.00 . A A . 5 ALA CB 1 1 6 4605 1 1 5 ALA H H 3.598 -6.566 -1.503 1.00 . A A . 5 ALA H 1 1 6 4606 1 1 5 ALA HA H 6.429 -6.043 -1.238 1.00 . A A . 5 ALA HA 1 1 6 4607 1 1 5 ALA HB1 H 6.025 -5.786 1.182 1.00 . A A . 5 ALA HB1 1 1 6 4608 1 1 5 ALA HB2 H 4.379 -6.364 1.000 1.00 . A A . 5 ALA HB2 1 1 6 4609 1 1 5 ALA HB3 H 4.880 -4.856 0.238 1.00 . A A . 5 ALA HB3 1 1 6 4610 1 1 5 ALA N N 4.533 -6.634 -1.744 1.00 . A A . 5 ALA N 1 1 6 4611 1 1 5 ALA O O 5.302 -8.939 -0.365 1.00 . A A . 5 ALA O 1 1 6 4612 1 1 6 GLN C C 7.506 -10.293 0.978 1.00 . A A . 6 GLN C 1 1 6 4613 1 1 6 GLN CA C 8.157 -9.420 -0.120 1.00 . A A . 6 GLN CA 1 1 6 4614 1 1 6 GLN CB C 9.611 -9.088 0.263 1.00 . A A . 6 GLN CB 1 1 6 4615 1 1 6 GLN CD C 11.898 -9.859 0.972 1.00 . A A . 6 GLN CD 1 1 6 4616 1 1 6 GLN CG C 10.478 -10.276 0.631 1.00 . A A . 6 GLN CG 1 1 6 4617 1 1 6 GLN H H 7.986 -7.349 -0.560 1.00 . A A . 6 GLN H 1 1 6 4618 1 1 6 GLN HA H 8.182 -9.983 -1.040 1.00 . A A . 6 GLN HA 1 1 6 4619 1 1 6 GLN HB2 H 10.092 -8.582 -0.561 1.00 . A A . 6 GLN HB2 1 1 6 4620 1 1 6 GLN HB3 H 9.608 -8.410 1.103 1.00 . A A . 6 GLN HB3 1 1 6 4621 1 1 6 GLN HE21 H 11.411 -9.599 2.879 1.00 . A A . 6 GLN HE21 1 1 6 4622 1 1 6 GLN HE22 H 13.043 -9.238 2.453 1.00 . A A . 6 GLN HE22 1 1 6 4623 1 1 6 GLN HG2 H 10.042 -10.768 1.487 1.00 . A A . 6 GLN HG2 1 1 6 4624 1 1 6 GLN HG3 H 10.501 -10.957 -0.205 1.00 . A A . 6 GLN HG3 1 1 6 4625 1 1 6 GLN N N 7.443 -8.144 -0.369 1.00 . A A . 6 GLN N 1 1 6 4626 1 1 6 GLN NE2 N 12.138 -9.545 2.228 1.00 . A A . 6 GLN NE2 1 1 6 4627 1 1 6 GLN O O 7.253 -11.479 0.761 1.00 . A A . 6 GLN O 1 1 6 4628 1 1 6 GLN OE1 O 12.763 -9.808 0.110 1.00 . A A . 6 GLN OE1 1 1 6 4629 1 1 7 ASN C C 5.341 -9.806 3.601 1.00 . A A . 7 ASN C 1 1 6 4630 1 1 7 ASN CA C 6.605 -10.499 3.181 1.00 . A A . 7 ASN CA 1 1 6 4631 1 1 7 ASN CB C 7.565 -10.740 4.373 1.00 . A A . 7 ASN CB 1 1 6 4632 1 1 7 ASN CG C 7.045 -11.735 5.424 1.00 . A A . 7 ASN CG 1 1 6 4633 1 1 7 ASN H H 7.493 -8.787 2.226 1.00 . A A . 7 ASN H 1 1 6 4634 1 1 7 ASN HA H 6.329 -11.449 2.747 1.00 . A A . 7 ASN HA 1 1 6 4635 1 1 7 ASN HB2 H 8.503 -11.118 3.996 1.00 . A A . 7 ASN HB2 1 1 6 4636 1 1 7 ASN HB3 H 7.739 -9.793 4.863 1.00 . A A . 7 ASN HB3 1 1 6 4637 1 1 7 ASN HD21 H 8.910 -12.342 5.796 1.00 . A A . 7 ASN HD21 1 1 6 4638 1 1 7 ASN HD22 H 7.665 -13.103 6.718 1.00 . A A . 7 ASN HD22 1 1 6 4639 1 1 7 ASN N N 7.242 -9.727 2.124 1.00 . A A . 7 ASN N 1 1 6 4640 1 1 7 ASN ND2 N 7.964 -12.464 6.039 1.00 . A A . 7 ASN ND2 1 1 6 4641 1 1 7 ASN O O 5.324 -9.037 4.559 1.00 . A A . 7 ASN O 1 1 6 4642 1 1 7 ASN OD1 O 5.849 -11.865 5.664 1.00 . A A . 7 ASN OD1 1 1 6 4643 1 1 8 CYS C C 2.010 -10.304 3.718 1.00 . A A . 8 CYS C 1 1 6 4644 1 1 8 CYS CA C 3.058 -9.354 3.047 1.00 . A A . 8 CYS CA 1 1 6 4645 1 1 8 CYS CB C 2.480 -8.684 1.793 1.00 . A A . 8 CYS CB 1 1 6 4646 1 1 8 CYS H H 4.447 -10.500 1.973 1.00 . A A . 8 CYS H 1 1 6 4647 1 1 8 CYS HA H 3.266 -8.572 3.762 1.00 . A A . 8 CYS HA 1 1 6 4648 1 1 8 CYS HB2 H 3.130 -7.910 1.418 1.00 . A A . 8 CYS HB2 1 1 6 4649 1 1 8 CYS HB3 H 2.357 -9.448 1.038 1.00 . A A . 8 CYS HB3 1 1 6 4650 1 1 8 CYS N N 4.330 -9.960 2.785 1.00 . A A . 8 CYS N 1 1 6 4651 1 1 8 CYS O O 2.071 -11.544 3.603 1.00 . A A . 8 CYS O 1 1 6 4652 1 1 8 CYS SG S 0.860 -7.980 2.113 1.00 . A A . 8 CYS SG 1 1 6 4653 1 1 9 GLN C C -1.341 -9.782 4.251 1.00 . A A . 9 GLN C 1 1 6 4654 1 1 9 GLN CA C -0.087 -10.305 4.991 1.00 . A A . 9 GLN CA 1 1 6 4655 1 1 9 GLN CB C -0.216 -10.007 6.485 1.00 . A A . 9 GLN CB 1 1 6 4656 1 1 9 GLN CD C 0.759 -10.191 8.803 1.00 . A A . 9 GLN CD 1 1 6 4657 1 1 9 GLN CG C 0.934 -10.520 7.336 1.00 . A A . 9 GLN CG 1 1 6 4658 1 1 9 GLN H H 1.343 -8.728 4.465 1.00 . A A . 9 GLN H 1 1 6 4659 1 1 9 GLN HA H -0.012 -11.371 4.835 1.00 . A A . 9 GLN HA 1 1 6 4660 1 1 9 GLN HB2 H -0.285 -8.939 6.618 1.00 . A A . 9 GLN HB2 1 1 6 4661 1 1 9 GLN HB3 H -1.129 -10.456 6.845 1.00 . A A . 9 GLN HB3 1 1 6 4662 1 1 9 GLN HE21 H 1.737 -11.831 9.319 1.00 . A A . 9 GLN HE21 1 1 6 4663 1 1 9 GLN HE22 H 1.173 -10.840 10.614 1.00 . A A . 9 GLN HE22 1 1 6 4664 1 1 9 GLN HG2 H 0.991 -11.591 7.221 1.00 . A A . 9 GLN HG2 1 1 6 4665 1 1 9 GLN HG3 H 1.849 -10.064 6.986 1.00 . A A . 9 GLN HG3 1 1 6 4666 1 1 9 GLN N N 1.092 -9.673 4.430 1.00 . A A . 9 GLN N 1 1 6 4667 1 1 9 GLN NE2 N 1.271 -11.038 9.656 1.00 . A A . 9 GLN NE2 1 1 6 4668 1 1 9 GLN O O -1.422 -8.593 3.926 1.00 . A A . 9 GLN O 1 1 6 4669 1 1 9 GLN OE1 O 0.155 -9.181 9.168 1.00 . A A . 9 GLN OE1 1 1 6 4670 1 1 10 ARG C C -4.570 -9.892 4.375 1.00 . A A . 10 ARG C 1 1 6 4671 1 1 10 ARG CA C -3.549 -10.335 3.343 1.00 . A A . 10 ARG CA 1 1 6 4672 1 1 10 ARG CB C -4.102 -11.546 2.565 1.00 . A A . 10 ARG CB 1 1 6 4673 1 1 10 ARG CD C -3.842 -13.173 0.662 1.00 . A A . 10 ARG CD 1 1 6 4674 1 1 10 ARG CG C -3.308 -11.904 1.332 1.00 . A A . 10 ARG CG 1 1 6 4675 1 1 10 ARG CZ C -3.852 -15.641 1.026 1.00 . A A . 10 ARG CZ 1 1 6 4676 1 1 10 ARG H H -2.276 -11.597 4.252 1.00 . A A . 10 ARG H 1 1 6 4677 1 1 10 ARG HA H -3.351 -9.538 2.644 1.00 . A A . 10 ARG HA 1 1 6 4678 1 1 10 ARG HB2 H -4.109 -12.402 3.224 1.00 . A A . 10 ARG HB2 1 1 6 4679 1 1 10 ARG HB3 H -5.116 -11.323 2.267 1.00 . A A . 10 ARG HB3 1 1 6 4680 1 1 10 ARG HD2 H -4.909 -13.079 0.524 1.00 . A A . 10 ARG HD2 1 1 6 4681 1 1 10 ARG HD3 H -3.383 -13.279 -0.308 1.00 . A A . 10 ARG HD3 1 1 6 4682 1 1 10 ARG HE H -3.117 -14.228 2.299 1.00 . A A . 10 ARG HE 1 1 6 4683 1 1 10 ARG HG2 H -3.393 -11.083 0.634 1.00 . A A . 10 ARG HG2 1 1 6 4684 1 1 10 ARG HG3 H -2.270 -12.055 1.600 1.00 . A A . 10 ARG HG3 1 1 6 4685 1 1 10 ARG HH11 H -4.869 -15.110 -0.683 1.00 . A A . 10 ARG HH11 1 1 6 4686 1 1 10 ARG HH12 H -4.738 -16.789 -0.400 1.00 . A A . 10 ARG HH12 1 1 6 4687 1 1 10 ARG HH21 H -2.978 -16.558 2.617 1.00 . A A . 10 ARG HH21 1 1 6 4688 1 1 10 ARG HH22 H -3.648 -17.627 1.491 1.00 . A A . 10 ARG HH22 1 1 6 4689 1 1 10 ARG N N -2.297 -10.662 3.989 1.00 . A A . 10 ARG N 1 1 6 4690 1 1 10 ARG NE N -3.572 -14.385 1.439 1.00 . A A . 10 ARG NE 1 1 6 4691 1 1 10 ARG NH1 N -4.535 -15.851 -0.102 1.00 . A A . 10 ARG NH1 1 1 6 4692 1 1 10 ARG NH2 N -3.474 -16.673 1.751 1.00 . A A . 10 ARG NH2 1 1 6 4693 1 1 10 ARG O O -5.060 -10.710 5.165 1.00 . A A . 10 ARG O 1 1 6 4694 1 1 11 PRO C C -7.309 -8.447 5.113 1.00 . A A . 11 PRO C 1 1 6 4695 1 1 11 PRO CA C -5.839 -8.041 5.382 1.00 . A A . 11 PRO CA 1 1 6 4696 1 1 11 PRO CB C -5.644 -6.522 5.252 1.00 . A A . 11 PRO CB 1 1 6 4697 1 1 11 PRO CD C -4.320 -7.551 3.515 1.00 . A A . 11 PRO CD 1 1 6 4698 1 1 11 PRO CG C -5.112 -6.317 3.862 1.00 . A A . 11 PRO CG 1 1 6 4699 1 1 11 PRO HA H -5.567 -8.359 6.379 1.00 . A A . 11 PRO HA 1 1 6 4700 1 1 11 PRO HB2 H -6.590 -6.022 5.401 1.00 . A A . 11 PRO HB2 1 1 6 4701 1 1 11 PRO HB3 H -4.935 -6.182 5.993 1.00 . A A . 11 PRO HB3 1 1 6 4702 1 1 11 PRO HD2 H -4.376 -7.816 2.463 1.00 . A A . 11 PRO HD2 1 1 6 4703 1 1 11 PRO HD3 H -3.284 -7.383 3.777 1.00 . A A . 11 PRO HD3 1 1 6 4704 1 1 11 PRO HG2 H -5.929 -6.186 3.166 1.00 . A A . 11 PRO HG2 1 1 6 4705 1 1 11 PRO HG3 H -4.468 -5.446 3.835 1.00 . A A . 11 PRO HG3 1 1 6 4706 1 1 11 PRO N N -4.890 -8.592 4.402 1.00 . A A . 11 PRO N 1 1 6 4707 1 1 11 PRO O O -7.888 -9.219 5.882 1.00 . A A . 11 PRO O 1 1 6 4708 1 1 12 CYS C C -10.300 -7.750 4.633 1.00 . A A . 12 CYS C 1 1 6 4709 1 1 12 CYS CA C -9.255 -8.179 3.578 1.00 . A A . 12 CYS CA 1 1 6 4710 1 1 12 CYS CB C -9.439 -9.627 3.120 1.00 . A A . 12 CYS CB 1 1 6 4711 1 1 12 CYS H H -7.308 -7.351 3.453 1.00 . A A . 12 CYS H 1 1 6 4712 1 1 12 CYS HA H -9.375 -7.533 2.720 1.00 . A A . 12 CYS HA 1 1 6 4713 1 1 12 CYS HB2 H -9.194 -10.293 3.934 1.00 . A A . 12 CYS HB2 1 1 6 4714 1 1 12 CYS HB3 H -10.466 -9.772 2.820 1.00 . A A . 12 CYS HB3 1 1 6 4715 1 1 12 CYS HG H -7.793 -11.210 2.032 1.00 . A A . 12 CYS HG 1 1 6 4716 1 1 12 CYS N N -7.871 -7.926 4.006 1.00 . A A . 12 CYS N 1 1 6 4717 1 1 12 CYS O O -10.478 -8.389 5.661 1.00 . A A . 12 CYS O 1 1 6 4718 1 1 12 CYS SG S -8.387 -10.067 1.714 1.00 . A A . 12 CYS SG 1 1 6 4719 1 1 13 LYS C C -12.793 -5.116 4.355 1.00 . A A . 13 LYS C 1 1 6 4720 1 1 13 LYS CA C -11.934 -6.045 5.221 1.00 . A A . 13 LYS CA 1 1 6 4721 1 1 13 LYS CB C -11.125 -5.283 6.305 1.00 . A A . 13 LYS CB 1 1 6 4722 1 1 13 LYS CD C -10.990 -4.037 8.418 1.00 . A A . 13 LYS CD 1 1 6 4723 1 1 13 LYS CE C -11.717 -3.172 9.391 1.00 . A A . 13 LYS CE 1 1 6 4724 1 1 13 LYS CG C -11.921 -4.600 7.382 1.00 . A A . 13 LYS CG 1 1 6 4725 1 1 13 LYS H H -10.949 -6.294 3.430 1.00 . A A . 13 LYS H 1 1 6 4726 1 1 13 LYS HA H -12.560 -6.795 5.680 1.00 . A A . 13 LYS HA 1 1 6 4727 1 1 13 LYS HB2 H -10.459 -5.965 6.812 1.00 . A A . 13 LYS HB2 1 1 6 4728 1 1 13 LYS HB3 H -10.535 -4.515 5.827 1.00 . A A . 13 LYS HB3 1 1 6 4729 1 1 13 LYS HD2 H -10.531 -4.853 8.960 1.00 . A A . 13 LYS HD2 1 1 6 4730 1 1 13 LYS HD3 H -10.230 -3.450 7.924 1.00 . A A . 13 LYS HD3 1 1 6 4731 1 1 13 LYS HE2 H -12.026 -2.325 8.800 1.00 . A A . 13 LYS HE2 1 1 6 4732 1 1 13 LYS HE3 H -12.575 -3.691 9.790 1.00 . A A . 13 LYS HE3 1 1 6 4733 1 1 13 LYS HG2 H -12.487 -3.788 6.950 1.00 . A A . 13 LYS HG2 1 1 6 4734 1 1 13 LYS HG3 H -12.575 -5.322 7.847 1.00 . A A . 13 LYS HG3 1 1 6 4735 1 1 13 LYS HZ1 H -9.986 -2.210 10.130 1.00 . A A . 13 LYS HZ1 1 1 6 4736 1 1 13 LYS HZ2 H -10.467 -3.566 10.978 1.00 . A A . 13 LYS HZ2 1 1 6 4737 1 1 13 LYS HZ3 H -11.301 -2.140 11.195 1.00 . A A . 13 LYS HZ3 1 1 6 4738 1 1 13 LYS N N -11.000 -6.680 4.328 1.00 . A A . 13 LYS N 1 1 6 4739 1 1 13 LYS NZ N -10.819 -2.722 10.480 1.00 . A A . 13 LYS NZ 1 1 6 4740 1 1 13 LYS O O -12.588 -5.096 3.131 1.00 . A A . 13 LYS O 1 1 6 4741 1 1 14 ASP C C -13.838 -2.543 3.308 1.00 . A A . 14 ASP C 1 1 6 4742 1 1 14 ASP CA C -14.637 -3.433 4.254 1.00 . A A . 14 ASP CA 1 1 6 4743 1 1 14 ASP CB C -15.390 -2.580 5.285 1.00 . A A . 14 ASP CB 1 1 6 4744 1 1 14 ASP CG C -16.318 -1.544 4.670 1.00 . A A . 14 ASP CG 1 1 6 4745 1 1 14 ASP H H -13.846 -4.476 5.935 1.00 . A A . 14 ASP H 1 1 6 4746 1 1 14 ASP HA H -15.348 -4.007 3.679 1.00 . A A . 14 ASP HA 1 1 6 4747 1 1 14 ASP HB2 H -15.976 -3.219 5.930 1.00 . A A . 14 ASP HB2 1 1 6 4748 1 1 14 ASP HB3 H -14.663 -2.067 5.898 1.00 . A A . 14 ASP HB3 1 1 6 4749 1 1 14 ASP N N -13.736 -4.385 4.966 1.00 . A A . 14 ASP N 1 1 6 4750 1 1 14 ASP O O -14.045 -2.561 2.104 1.00 . A A . 14 ASP O 1 1 6 4751 1 1 14 ASP OD1 O -17.472 -1.877 4.333 1.00 . A A . 14 ASP OD1 1 1 6 4752 1 1 14 ASP OD2 O -15.909 -0.367 4.559 1.00 . A A . 14 ASP OD2 1 1 6 4753 1 1 15 LYS C C -10.605 -1.165 3.557 1.00 . A A . 15 LYS C 1 1 6 4754 1 1 15 LYS CA C -12.027 -0.973 3.065 1.00 . A A . 15 LYS CA 1 1 6 4755 1 1 15 LYS CB C -12.419 0.508 3.088 1.00 . A A . 15 LYS CB 1 1 6 4756 1 1 15 LYS CD C -14.084 2.294 2.424 1.00 . A A . 15 LYS CD 1 1 6 4757 1 1 15 LYS CE C -14.310 2.776 3.827 1.00 . A A . 15 LYS CE 1 1 6 4758 1 1 15 LYS CG C -13.748 0.815 2.401 1.00 . A A . 15 LYS CG 1 1 6 4759 1 1 15 LYS H H -12.860 -1.703 4.833 1.00 . A A . 15 LYS H 1 1 6 4760 1 1 15 LYS HA H -12.074 -1.338 2.048 1.00 . A A . 15 LYS HA 1 1 6 4761 1 1 15 LYS HB2 H -12.477 0.807 4.122 1.00 . A A . 15 LYS HB2 1 1 6 4762 1 1 15 LYS HB3 H -11.641 1.077 2.604 1.00 . A A . 15 LYS HB3 1 1 6 4763 1 1 15 LYS HD2 H -13.250 2.838 2.007 1.00 . A A . 15 LYS HD2 1 1 6 4764 1 1 15 LYS HD3 H -14.972 2.465 1.834 1.00 . A A . 15 LYS HD3 1 1 6 4765 1 1 15 LYS HE2 H -13.461 2.408 4.374 1.00 . A A . 15 LYS HE2 1 1 6 4766 1 1 15 LYS HE3 H -14.366 3.851 3.858 1.00 . A A . 15 LYS HE3 1 1 6 4767 1 1 15 LYS HG2 H -13.668 0.511 1.370 1.00 . A A . 15 LYS HG2 1 1 6 4768 1 1 15 LYS HG3 H -14.536 0.263 2.892 1.00 . A A . 15 LYS HG3 1 1 6 4769 1 1 15 LYS HZ1 H -16.357 2.465 3.921 1.00 . A A . 15 LYS HZ1 1 1 6 4770 1 1 15 LYS HZ2 H -15.616 2.460 5.422 1.00 . A A . 15 LYS HZ2 1 1 6 4771 1 1 15 LYS HZ3 H -15.488 1.127 4.399 1.00 . A A . 15 LYS HZ3 1 1 6 4772 1 1 15 LYS N N -12.931 -1.772 3.859 1.00 . A A . 15 LYS N 1 1 6 4773 1 1 15 LYS NZ N -15.500 2.173 4.430 1.00 . A A . 15 LYS NZ 1 1 6 4774 1 1 15 LYS O O -10.360 -1.243 4.764 1.00 . A A . 15 LYS O 1 1 6 4775 1 1 16 VAL C C -7.412 -0.473 2.143 1.00 . A A . 16 VAL C 1 1 6 4776 1 1 16 VAL CA C -8.270 -1.461 2.947 1.00 . A A . 16 VAL CA 1 1 6 4777 1 1 16 VAL CB C -7.781 -2.942 2.730 1.00 . A A . 16 VAL CB 1 1 6 4778 1 1 16 VAL CG1 C -8.481 -3.890 3.686 1.00 . A A . 16 VAL CG1 1 1 6 4779 1 1 16 VAL CG2 C -8.001 -3.402 1.292 1.00 . A A . 16 VAL CG2 1 1 6 4780 1 1 16 VAL H H -9.949 -1.206 1.688 1.00 . A A . 16 VAL H 1 1 6 4781 1 1 16 VAL HA H -8.158 -1.198 3.991 1.00 . A A . 16 VAL HA 1 1 6 4782 1 1 16 VAL HB H -6.720 -2.966 2.938 1.00 . A A . 16 VAL HB 1 1 6 4783 1 1 16 VAL HG11 H -8.291 -3.588 4.704 1.00 . A A . 16 VAL HG11 1 1 6 4784 1 1 16 VAL HG12 H -8.104 -4.890 3.540 1.00 . A A . 16 VAL HG12 1 1 6 4785 1 1 16 VAL HG13 H -9.544 -3.864 3.499 1.00 . A A . 16 VAL HG13 1 1 6 4786 1 1 16 VAL HG21 H -7.438 -2.719 0.669 1.00 . A A . 16 VAL HG21 1 1 6 4787 1 1 16 VAL HG22 H -9.044 -3.382 1.002 1.00 . A A . 16 VAL HG22 1 1 6 4788 1 1 16 VAL HG23 H -7.624 -4.407 1.168 1.00 . A A . 16 VAL HG23 1 1 6 4789 1 1 16 VAL N N -9.680 -1.275 2.628 1.00 . A A . 16 VAL N 1 1 6 4790 1 1 16 VAL O O -7.760 -0.132 0.993 1.00 . A A . 16 VAL O 1 1 6 4791 1 1 17 ASP C C -4.235 0.470 1.439 1.00 . A A . 17 ASP C 1 1 6 4792 1 1 17 ASP CA C -5.455 1.022 2.163 1.00 . A A . 17 ASP CA 1 1 6 4793 1 1 17 ASP CB C -5.005 2.023 3.244 1.00 . A A . 17 ASP CB 1 1 6 4794 1 1 17 ASP CG C -6.158 2.729 3.935 1.00 . A A . 17 ASP CG 1 1 6 4795 1 1 17 ASP H H -6.019 -0.416 3.586 1.00 . A A . 17 ASP H 1 1 6 4796 1 1 17 ASP HA H -6.063 1.558 1.445 1.00 . A A . 17 ASP HA 1 1 6 4797 1 1 17 ASP HB2 H -4.443 1.498 4.000 1.00 . A A . 17 ASP HB2 1 1 6 4798 1 1 17 ASP HB3 H -4.366 2.771 2.797 1.00 . A A . 17 ASP HB3 1 1 6 4799 1 1 17 ASP N N -6.307 -0.039 2.735 1.00 . A A . 17 ASP N 1 1 6 4800 1 1 17 ASP O O -3.692 -0.611 1.785 1.00 . A A . 17 ASP O 1 1 6 4801 1 1 17 ASP OD1 O -6.654 3.752 3.419 1.00 . A A . 17 ASP OD1 1 1 6 4802 1 1 17 ASP OD2 O -6.571 2.266 5.022 1.00 . A A . 17 ASP OD2 1 1 6 4803 1 1 18 TRP C C -1.785 2.041 -0.670 1.00 . A A . 18 TRP C 1 1 6 4804 1 1 18 TRP CA C -2.698 0.846 -0.449 1.00 . A A . 18 TRP CA 1 1 6 4805 1 1 18 TRP CB C -3.239 0.443 -1.822 1.00 . A A . 18 TRP CB 1 1 6 4806 1 1 18 TRP CD1 C -5.475 -0.652 -1.205 1.00 . A A . 18 TRP CD1 1 1 6 4807 1 1 18 TRP CD2 C -4.282 -1.821 -2.659 1.00 . A A . 18 TRP CD2 1 1 6 4808 1 1 18 TRP CE2 C -5.459 -2.514 -2.389 1.00 . A A . 18 TRP CE2 1 1 6 4809 1 1 18 TRP CE3 C -3.393 -2.351 -3.560 1.00 . A A . 18 TRP CE3 1 1 6 4810 1 1 18 TRP CG C -4.290 -0.646 -1.855 1.00 . A A . 18 TRP CG 1 1 6 4811 1 1 18 TRP CH2 C -4.862 -4.217 -3.883 1.00 . A A . 18 TRP CH2 1 1 6 4812 1 1 18 TRP CZ2 C -5.759 -3.718 -2.988 1.00 . A A . 18 TRP CZ2 1 1 6 4813 1 1 18 TRP CZ3 C -3.684 -3.545 -4.168 1.00 . A A . 18 TRP CZ3 1 1 6 4814 1 1 18 TRP H H -4.312 2.062 0.342 1.00 . A A . 18 TRP H 1 1 6 4815 1 1 18 TRP HA H -2.146 0.020 -0.030 1.00 . A A . 18 TRP HA 1 1 6 4816 1 1 18 TRP HB2 H -3.673 1.343 -2.221 1.00 . A A . 18 TRP HB2 1 1 6 4817 1 1 18 TRP HB3 H -2.421 0.171 -2.472 1.00 . A A . 18 TRP HB3 1 1 6 4818 1 1 18 TRP HD1 H -5.786 0.130 -0.527 1.00 . A A . 18 TRP HD1 1 1 6 4819 1 1 18 TRP HE1 H -7.039 -2.018 -1.104 1.00 . A A . 18 TRP HE1 1 1 6 4820 1 1 18 TRP HE3 H -2.489 -1.823 -3.786 1.00 . A A . 18 TRP HE3 1 1 6 4821 1 1 18 TRP HH2 H -5.054 -5.149 -4.392 1.00 . A A . 18 TRP HH2 1 1 6 4822 1 1 18 TRP HZ2 H -6.673 -4.240 -2.762 1.00 . A A . 18 TRP HZ2 1 1 6 4823 1 1 18 TRP HZ3 H -2.985 -3.959 -4.881 1.00 . A A . 18 TRP HZ3 1 1 6 4824 1 1 18 TRP N N -3.800 1.225 0.438 1.00 . A A . 18 TRP N 1 1 6 4825 1 1 18 TRP NE1 N -6.160 -1.787 -1.483 1.00 . A A . 18 TRP NE1 1 1 6 4826 1 1 18 TRP O O -2.179 3.186 -0.395 1.00 . A A . 18 TRP O 1 1 6 4827 1 1 19 VAL C C 1.006 2.518 -2.843 1.00 . A A . 19 VAL C 1 1 6 4828 1 1 19 VAL CA C 0.400 2.834 -1.489 1.00 . A A . 19 VAL CA 1 1 6 4829 1 1 19 VAL CB C 1.614 2.782 -0.535 1.00 . A A . 19 VAL CB 1 1 6 4830 1 1 19 VAL CG1 C 2.439 4.057 -0.562 1.00 . A A . 19 VAL CG1 1 1 6 4831 1 1 19 VAL CG2 C 1.279 2.312 0.844 1.00 . A A . 19 VAL CG2 1 1 6 4832 1 1 19 VAL H H -0.231 0.898 -1.424 1.00 . A A . 19 VAL H 1 1 6 4833 1 1 19 VAL HA H -0.041 3.816 -1.466 1.00 . A A . 19 VAL HA 1 1 6 4834 1 1 19 VAL HB H 2.265 2.049 -0.993 1.00 . A A . 19 VAL HB 1 1 6 4835 1 1 19 VAL HG11 H 1.818 4.895 -0.286 1.00 . A A . 19 VAL HG11 1 1 6 4836 1 1 19 VAL HG12 H 2.842 4.201 -1.555 1.00 . A A . 19 VAL HG12 1 1 6 4837 1 1 19 VAL HG13 H 3.258 3.969 0.134 1.00 . A A . 19 VAL HG13 1 1 6 4838 1 1 19 VAL HG21 H 0.536 2.954 1.290 1.00 . A A . 19 VAL HG21 1 1 6 4839 1 1 19 VAL HG22 H 2.188 2.308 1.427 1.00 . A A . 19 VAL HG22 1 1 6 4840 1 1 19 VAL HG23 H 0.933 1.292 0.747 1.00 . A A . 19 VAL HG23 1 1 6 4841 1 1 19 VAL N N -0.579 1.788 -1.185 1.00 . A A . 19 VAL N 1 1 6 4842 1 1 19 VAL O O 1.296 1.355 -3.108 1.00 . A A . 19 VAL O 1 1 6 4843 1 1 20 GLN C C 3.362 3.715 -4.611 1.00 . A A . 20 GLN C 1 1 6 4844 1 1 20 GLN CA C 1.928 3.322 -4.898 1.00 . A A . 20 GLN CA 1 1 6 4845 1 1 20 GLN CB C 1.405 4.205 -6.024 1.00 . A A . 20 GLN CB 1 1 6 4846 1 1 20 GLN CD C 2.019 2.564 -7.890 1.00 . A A . 20 GLN CD 1 1 6 4847 1 1 20 GLN CG C 0.970 3.472 -7.275 1.00 . A A . 20 GLN CG 1 1 6 4848 1 1 20 GLN H H 0.741 4.360 -3.472 1.00 . A A . 20 GLN H 1 1 6 4849 1 1 20 GLN HA H 1.872 2.284 -5.189 1.00 . A A . 20 GLN HA 1 1 6 4850 1 1 20 GLN HB2 H 0.545 4.735 -5.647 1.00 . A A . 20 GLN HB2 1 1 6 4851 1 1 20 GLN HB3 H 2.155 4.927 -6.302 1.00 . A A . 20 GLN HB3 1 1 6 4852 1 1 20 GLN HE21 H 0.611 1.380 -8.679 1.00 . A A . 20 GLN HE21 1 1 6 4853 1 1 20 GLN HE22 H 2.230 0.946 -8.982 1.00 . A A . 20 GLN HE22 1 1 6 4854 1 1 20 GLN HG2 H 0.090 2.884 -7.069 1.00 . A A . 20 GLN HG2 1 1 6 4855 1 1 20 GLN HG3 H 0.733 4.231 -8.001 1.00 . A A . 20 GLN HG3 1 1 6 4856 1 1 20 GLN N N 1.168 3.500 -3.681 1.00 . A A . 20 GLN N 1 1 6 4857 1 1 20 GLN NE2 N 1.567 1.543 -8.571 1.00 . A A . 20 GLN NE2 1 1 6 4858 1 1 20 GLN O O 3.605 4.664 -3.864 1.00 . A A . 20 GLN O 1 1 6 4859 1 1 20 GLN OE1 O 3.207 2.789 -7.781 1.00 . A A . 20 GLN OE1 1 1 6 4860 1 1 21 CYS C C 6.019 4.363 -6.085 1.00 . A A . 21 CYS C 1 1 6 4861 1 1 21 CYS CA C 5.686 3.339 -5.012 1.00 . A A . 21 CYS CA 1 1 6 4862 1 1 21 CYS CB C 6.548 2.129 -5.289 1.00 . A A . 21 CYS CB 1 1 6 4863 1 1 21 CYS H H 4.080 2.170 -5.648 1.00 . A A . 21 CYS H 1 1 6 4864 1 1 21 CYS HA H 5.893 3.711 -4.020 1.00 . A A . 21 CYS HA 1 1 6 4865 1 1 21 CYS HB2 H 6.168 1.210 -4.898 1.00 . A A . 21 CYS HB2 1 1 6 4866 1 1 21 CYS HB3 H 6.556 2.013 -6.362 1.00 . A A . 21 CYS HB3 1 1 6 4867 1 1 21 CYS N N 4.286 2.981 -5.133 1.00 . A A . 21 CYS N 1 1 6 4868 1 1 21 CYS O O 5.792 4.118 -7.264 1.00 . A A . 21 CYS O 1 1 6 4869 1 1 21 CYS SG S 8.285 2.234 -4.806 1.00 . A A . 21 CYS SG 1 1 6 4870 1 1 22 ASP C C 8.404 6.201 -7.158 1.00 . A A . 22 ASP C 1 1 6 4871 1 1 22 ASP CA C 6.999 6.487 -6.648 1.00 . A A . 22 ASP CA 1 1 6 4872 1 1 22 ASP CB C 6.933 7.880 -6.028 1.00 . A A . 22 ASP CB 1 1 6 4873 1 1 22 ASP CG C 5.540 8.253 -5.567 1.00 . A A . 22 ASP CG 1 1 6 4874 1 1 22 ASP H H 6.775 5.574 -4.729 1.00 . A A . 22 ASP H 1 1 6 4875 1 1 22 ASP HA H 6.320 6.433 -7.487 1.00 . A A . 22 ASP HA 1 1 6 4876 1 1 22 ASP HB2 H 7.591 7.913 -5.173 1.00 . A A . 22 ASP HB2 1 1 6 4877 1 1 22 ASP HB3 H 7.253 8.609 -6.760 1.00 . A A . 22 ASP HB3 1 1 6 4878 1 1 22 ASP N N 6.601 5.458 -5.694 1.00 . A A . 22 ASP N 1 1 6 4879 1 1 22 ASP O O 9.110 7.096 -7.616 1.00 . A A . 22 ASP O 1 1 6 4880 1 1 22 ASP OD1 O 4.698 8.681 -6.417 1.00 . A A . 22 ASP OD1 1 1 6 4881 1 1 22 ASP OD2 O 5.280 8.148 -4.372 1.00 . A A . 22 ASP OD2 1 1 6 4882 1 1 23 GLY C C 9.828 3.815 -8.926 1.00 . A A . 23 GLY C 1 1 6 4883 1 1 23 GLY CA C 10.061 4.511 -7.608 1.00 . A A . 23 GLY CA 1 1 6 4884 1 1 23 GLY H H 8.231 4.227 -6.734 1.00 . A A . 23 GLY H 1 1 6 4885 1 1 23 GLY HA2 H 10.687 5.381 -7.749 1.00 . A A . 23 GLY HA2 1 1 6 4886 1 1 23 GLY HA3 H 10.532 3.829 -6.914 1.00 . A A . 23 GLY HA3 1 1 6 4887 1 1 23 GLY N N 8.800 4.934 -7.092 1.00 . A A . 23 GLY N 1 1 6 4888 1 1 23 GLY O O 8.904 4.182 -9.654 1.00 . A A . 23 GLY O 1 1 6 4889 1 1 24 GLY C C 9.696 0.839 -10.514 1.00 . A A . 24 GLY C 1 1 6 4890 1 1 24 GLY CA C 10.397 2.193 -10.547 1.00 . A A . 24 GLY CA 1 1 6 4891 1 1 24 GLY H H 11.382 2.439 -8.803 1.00 . A A . 24 GLY H 1 1 6 4892 1 1 24 GLY HA2 H 9.815 2.860 -11.163 1.00 . A A . 24 GLY HA2 1 1 6 4893 1 1 24 GLY HA3 H 11.367 2.065 -11.003 1.00 . A A . 24 GLY HA3 1 1 6 4894 1 1 24 GLY N N 10.604 2.819 -9.258 1.00 . A A . 24 GLY N 1 1 6 4895 1 1 24 GLY O O 9.541 0.215 -11.565 1.00 . A A . 24 GLY O 1 1 6 4896 1 1 25 CYS C C 7.098 -0.766 -9.731 1.00 . A A . 25 CYS C 1 1 6 4897 1 1 25 CYS CA C 8.560 -0.969 -9.334 1.00 . A A . 25 CYS CA 1 1 6 4898 1 1 25 CYS CB C 8.628 -1.730 -7.992 1.00 . A A . 25 CYS CB 1 1 6 4899 1 1 25 CYS H H 9.563 0.809 -8.500 1.00 . A A . 25 CYS H 1 1 6 4900 1 1 25 CYS HA H 9.006 -1.573 -10.114 1.00 . A A . 25 CYS HA 1 1 6 4901 1 1 25 CYS HB2 H 8.208 -2.717 -8.123 1.00 . A A . 25 CYS HB2 1 1 6 4902 1 1 25 CYS HB3 H 9.666 -1.839 -7.703 1.00 . A A . 25 CYS HB3 1 1 6 4903 1 1 25 CYS N N 9.305 0.338 -9.329 1.00 . A A . 25 CYS N 1 1 6 4904 1 1 25 CYS O O 6.462 -1.674 -10.246 1.00 . A A . 25 CYS O 1 1 6 4905 1 1 25 CYS SG S 7.743 -0.968 -6.616 1.00 . A A . 25 CYS SG 1 1 6 4906 1 1 26 ASP C C 4.197 -0.126 -9.174 1.00 . A A . 26 ASP C 1 1 6 4907 1 1 26 ASP CA C 5.177 0.862 -9.787 1.00 . A A . 26 ASP CA 1 1 6 4908 1 1 26 ASP CB C 4.831 0.967 -11.296 1.00 . A A . 26 ASP CB 1 1 6 4909 1 1 26 ASP CG C 5.626 1.979 -12.108 1.00 . A A . 26 ASP CG 1 1 6 4910 1 1 26 ASP H H 7.224 1.201 -9.328 1.00 . A A . 26 ASP H 1 1 6 4911 1 1 26 ASP HA H 5.024 1.824 -9.321 1.00 . A A . 26 ASP HA 1 1 6 4912 1 1 26 ASP HB2 H 4.862 -0.012 -11.737 1.00 . A A . 26 ASP HB2 1 1 6 4913 1 1 26 ASP HB3 H 3.789 1.254 -11.332 1.00 . A A . 26 ASP HB3 1 1 6 4914 1 1 26 ASP N N 6.603 0.476 -9.536 1.00 . A A . 26 ASP N 1 1 6 4915 1 1 26 ASP O O 3.112 -0.345 -9.721 1.00 . A A . 26 ASP O 1 1 6 4916 1 1 26 ASP OD1 O 6.769 1.674 -12.530 1.00 . A A . 26 ASP OD1 1 1 6 4917 1 1 26 ASP OD2 O 5.085 3.070 -12.403 1.00 . A A . 26 ASP OD2 1 1 6 4918 1 1 27 GLU C C 2.966 -1.052 -6.227 1.00 . A A . 27 GLU C 1 1 6 4919 1 1 27 GLU CA C 3.615 -1.594 -7.466 1.00 . A A . 27 GLU CA 1 1 6 4920 1 1 27 GLU CB C 4.220 -2.957 -7.260 1.00 . A A . 27 GLU CB 1 1 6 4921 1 1 27 GLU CD C 4.954 -5.074 -8.406 1.00 . A A . 27 GLU CD 1 1 6 4922 1 1 27 GLU CG C 4.540 -3.649 -8.572 1.00 . A A . 27 GLU CG 1 1 6 4923 1 1 27 GLU H H 5.356 -0.459 -7.624 1.00 . A A . 27 GLU H 1 1 6 4924 1 1 27 GLU HA H 2.818 -1.703 -8.186 1.00 . A A . 27 GLU HA 1 1 6 4925 1 1 27 GLU HB2 H 5.130 -2.837 -6.689 1.00 . A A . 27 GLU HB2 1 1 6 4926 1 1 27 GLU HB3 H 3.514 -3.552 -6.707 1.00 . A A . 27 GLU HB3 1 1 6 4927 1 1 27 GLU HG2 H 3.660 -3.626 -9.197 1.00 . A A . 27 GLU HG2 1 1 6 4928 1 1 27 GLU HG3 H 5.337 -3.112 -9.064 1.00 . A A . 27 GLU HG3 1 1 6 4929 1 1 27 GLU N N 4.512 -0.684 -8.056 1.00 . A A . 27 GLU N 1 1 6 4930 1 1 27 GLU O O 3.480 -0.112 -5.586 1.00 . A A . 27 GLU O 1 1 6 4931 1 1 27 GLU OE1 O 6.136 -5.332 -8.096 1.00 . A A . 27 GLU OE1 1 1 6 4932 1 1 27 GLU OE2 O 4.084 -5.982 -8.600 1.00 . A A . 27 GLU OE2 1 1 6 4933 1 1 28 TRP C C 1.344 -2.069 -3.584 1.00 . A A . 28 TRP C 1 1 6 4934 1 1 28 TRP CA C 1.046 -1.207 -4.784 1.00 . A A . 28 TRP CA 1 1 6 4935 1 1 28 TRP CB C -0.445 -1.259 -5.069 1.00 . A A . 28 TRP CB 1 1 6 4936 1 1 28 TRP CD1 C -1.018 -0.629 -7.475 1.00 . A A . 28 TRP CD1 1 1 6 4937 1 1 28 TRP CD2 C -1.466 0.969 -5.987 1.00 . A A . 28 TRP CD2 1 1 6 4938 1 1 28 TRP CE2 C -1.812 1.437 -7.262 1.00 . A A . 28 TRP CE2 1 1 6 4939 1 1 28 TRP CE3 C -1.667 1.812 -4.890 1.00 . A A . 28 TRP CE3 1 1 6 4940 1 1 28 TRP CG C -0.938 -0.354 -6.151 1.00 . A A . 28 TRP CG 1 1 6 4941 1 1 28 TRP CH2 C -2.538 3.481 -6.385 1.00 . A A . 28 TRP CH2 1 1 6 4942 1 1 28 TRP CZ2 C -2.345 2.695 -7.474 1.00 . A A . 28 TRP CZ2 1 1 6 4943 1 1 28 TRP CZ3 C -2.210 3.057 -5.107 1.00 . A A . 28 TRP CZ3 1 1 6 4944 1 1 28 TRP H H 1.549 -2.368 -6.474 1.00 . A A . 28 TRP H 1 1 6 4945 1 1 28 TRP HA H 1.314 -0.187 -4.547 1.00 . A A . 28 TRP HA 1 1 6 4946 1 1 28 TRP HB2 H -0.737 -2.270 -5.311 1.00 . A A . 28 TRP HB2 1 1 6 4947 1 1 28 TRP HB3 H -0.908 -0.961 -4.143 1.00 . A A . 28 TRP HB3 1 1 6 4948 1 1 28 TRP HD1 H -0.709 -1.564 -7.913 1.00 . A A . 28 TRP HD1 1 1 6 4949 1 1 28 TRP HE1 H -1.675 0.476 -9.125 1.00 . A A . 28 TRP HE1 1 1 6 4950 1 1 28 TRP HE3 H -1.421 1.506 -3.883 1.00 . A A . 28 TRP HE3 1 1 6 4951 1 1 28 TRP HH2 H -2.970 4.461 -6.499 1.00 . A A . 28 TRP HH2 1 1 6 4952 1 1 28 TRP HZ2 H -2.606 3.051 -8.454 1.00 . A A . 28 TRP HZ2 1 1 6 4953 1 1 28 TRP HZ3 H -2.392 3.730 -4.286 1.00 . A A . 28 TRP HZ3 1 1 6 4954 1 1 28 TRP N N 1.828 -1.620 -5.910 1.00 . A A . 28 TRP N 1 1 6 4955 1 1 28 TRP NE1 N -1.527 0.443 -8.153 1.00 . A A . 28 TRP NE1 1 1 6 4956 1 1 28 TRP O O 1.551 -3.278 -3.707 1.00 . A A . 28 TRP O 1 1 6 4957 1 1 29 PHE C C 0.602 -1.711 -0.202 1.00 . A A . 29 PHE C 1 1 6 4958 1 1 29 PHE CA C 1.655 -2.113 -1.194 1.00 . A A . 29 PHE CA 1 1 6 4959 1 1 29 PHE CB C 2.952 -1.657 -0.612 1.00 . A A . 29 PHE CB 1 1 6 4960 1 1 29 PHE CD1 C 4.739 -2.442 -2.161 1.00 . A A . 29 PHE CD1 1 1 6 4961 1 1 29 PHE CD2 C 4.324 -0.106 -1.914 1.00 . A A . 29 PHE CD2 1 1 6 4962 1 1 29 PHE CE1 C 5.737 -2.160 -3.059 1.00 . A A . 29 PHE CE1 1 1 6 4963 1 1 29 PHE CE2 C 5.303 0.167 -2.782 1.00 . A A . 29 PHE CE2 1 1 6 4964 1 1 29 PHE CG C 4.017 -1.407 -1.583 1.00 . A A . 29 PHE CG 1 1 6 4965 1 1 29 PHE CZ C 6.019 -0.847 -3.365 1.00 . A A . 29 PHE CZ 1 1 6 4966 1 1 29 PHE H H 1.319 -0.467 -2.509 1.00 . A A . 29 PHE H 1 1 6 4967 1 1 29 PHE HA H 1.682 -3.182 -1.334 1.00 . A A . 29 PHE HA 1 1 6 4968 1 1 29 PHE HB2 H 2.788 -0.741 -0.067 1.00 . A A . 29 PHE HB2 1 1 6 4969 1 1 29 PHE HB3 H 3.294 -2.415 0.074 1.00 . A A . 29 PHE HB3 1 1 6 4970 1 1 29 PHE HD1 H 4.508 -3.472 -1.917 1.00 . A A . 29 PHE HD1 1 1 6 4971 1 1 29 PHE HD2 H 3.775 0.727 -1.490 1.00 . A A . 29 PHE HD2 1 1 6 4972 1 1 29 PHE HE1 H 6.300 -2.962 -3.517 1.00 . A A . 29 PHE HE1 1 1 6 4973 1 1 29 PHE HE2 H 5.501 1.202 -2.983 1.00 . A A . 29 PHE HE2 1 1 6 4974 1 1 29 PHE HZ H 6.805 -0.587 -4.055 1.00 . A A . 29 PHE HZ 1 1 6 4975 1 1 29 PHE N N 1.398 -1.444 -2.450 1.00 . A A . 29 PHE N 1 1 6 4976 1 1 29 PHE O O -0.220 -0.862 -0.480 1.00 . A A . 29 PHE O 1 1 6 4977 1 1 30 HIS C C 0.657 -1.088 2.950 1.00 . A A . 30 HIS C 1 1 6 4978 1 1 30 HIS CA C -0.242 -1.883 2.013 1.00 . A A . 30 HIS CA 1 1 6 4979 1 1 30 HIS CB C -0.852 -3.051 2.787 1.00 . A A . 30 HIS CB 1 1 6 4980 1 1 30 HIS CD2 C -3.016 -4.106 1.792 1.00 . A A . 30 HIS CD2 1 1 6 4981 1 1 30 HIS CE1 C -2.136 -5.990 1.051 1.00 . A A . 30 HIS CE1 1 1 6 4982 1 1 30 HIS CG C -1.678 -4.036 2.006 1.00 . A A . 30 HIS CG 1 1 6 4983 1 1 30 HIS H H 1.288 -3.040 1.074 1.00 . A A . 30 HIS H 1 1 6 4984 1 1 30 HIS HA H -1.012 -1.238 1.612 1.00 . A A . 30 HIS HA 1 1 6 4985 1 1 30 HIS HB2 H -0.046 -3.600 3.257 1.00 . A A . 30 HIS HB2 1 1 6 4986 1 1 30 HIS HB3 H -1.471 -2.654 3.579 1.00 . A A . 30 HIS HB3 1 1 6 4987 1 1 30 HIS HD2 H -3.749 -3.347 2.027 1.00 . A A . 30 HIS HD2 1 1 6 4988 1 1 30 HIS HE1 H -2.033 -7.027 0.750 1.00 . A A . 30 HIS HE1 1 1 6 4989 1 1 30 HIS HE2 H -4.038 -5.497 0.606 1.00 . A A . 30 HIS HE2 1 1 6 4990 1 1 30 HIS N N 0.611 -2.331 0.952 1.00 . A A . 30 HIS N 1 1 6 4991 1 1 30 HIS ND1 N -1.163 -5.216 1.510 1.00 . A A . 30 HIS ND1 1 1 6 4992 1 1 30 HIS NE2 N -3.275 -5.329 1.197 1.00 . A A . 30 HIS NE2 1 1 6 4993 1 1 30 HIS O O 1.786 -1.502 3.191 1.00 . A A . 30 HIS O 1 1 6 4994 1 1 31 GLN C C 1.614 0.092 5.490 1.00 . A A . 31 GLN C 1 1 6 4995 1 1 31 GLN CA C 0.899 0.903 4.385 1.00 . A A . 31 GLN CA 1 1 6 4996 1 1 31 GLN CB C -0.120 1.826 5.039 1.00 . A A . 31 GLN CB 1 1 6 4997 1 1 31 GLN CD C -0.320 3.948 3.636 1.00 . A A . 31 GLN CD 1 1 6 4998 1 1 31 GLN CG C -0.939 2.635 4.043 1.00 . A A . 31 GLN CG 1 1 6 4999 1 1 31 GLN H H -0.731 0.303 3.193 1.00 . A A . 31 GLN H 1 1 6 5000 1 1 31 GLN HA H 1.604 1.504 3.830 1.00 . A A . 31 GLN HA 1 1 6 5001 1 1 31 GLN HB2 H -0.792 1.235 5.643 1.00 . A A . 31 GLN HB2 1 1 6 5002 1 1 31 GLN HB3 H 0.415 2.518 5.674 1.00 . A A . 31 GLN HB3 1 1 6 5003 1 1 31 GLN HE21 H -1.248 3.879 1.883 1.00 . A A . 31 GLN HE21 1 1 6 5004 1 1 31 GLN HE22 H -0.260 5.260 2.155 1.00 . A A . 31 GLN HE22 1 1 6 5005 1 1 31 GLN HG2 H -0.833 2.019 3.157 1.00 . A A . 31 GLN HG2 1 1 6 5006 1 1 31 GLN HG3 H -1.973 2.742 4.331 1.00 . A A . 31 GLN HG3 1 1 6 5007 1 1 31 GLN N N 0.161 0.020 3.470 1.00 . A A . 31 GLN N 1 1 6 5008 1 1 31 GLN NE2 N -0.637 4.405 2.443 1.00 . A A . 31 GLN NE2 1 1 6 5009 1 1 31 GLN O O 2.790 0.270 5.724 1.00 . A A . 31 GLN O 1 1 6 5010 1 1 31 GLN OE1 O 0.409 4.560 4.395 1.00 . A A . 31 GLN OE1 1 1 6 5011 1 1 32 VAL C C 2.511 -2.643 6.805 1.00 . A A . 32 VAL C 1 1 6 5012 1 1 32 VAL CA C 1.438 -1.603 7.221 1.00 . A A . 32 VAL CA 1 1 6 5013 1 1 32 VAL CB C 0.313 -2.300 8.034 1.00 . A A . 32 VAL CB 1 1 6 5014 1 1 32 VAL CG1 C -0.640 -1.269 8.614 1.00 . A A . 32 VAL CG1 1 1 6 5015 1 1 32 VAL CG2 C -0.446 -3.311 7.174 1.00 . A A . 32 VAL CG2 1 1 6 5016 1 1 32 VAL H H -0.016 -1.038 5.832 1.00 . A A . 32 VAL H 1 1 6 5017 1 1 32 VAL HA H 1.922 -0.894 7.875 1.00 . A A . 32 VAL HA 1 1 6 5018 1 1 32 VAL HB H 0.774 -2.828 8.858 1.00 . A A . 32 VAL HB 1 1 6 5019 1 1 32 VAL HG11 H -1.098 -0.722 7.802 1.00 . A A . 32 VAL HG11 1 1 6 5020 1 1 32 VAL HG12 H -0.089 -0.591 9.248 1.00 . A A . 32 VAL HG12 1 1 6 5021 1 1 32 VAL HG13 H -1.405 -1.766 9.193 1.00 . A A . 32 VAL HG13 1 1 6 5022 1 1 32 VAL HG21 H -1.228 -3.768 7.761 1.00 . A A . 32 VAL HG21 1 1 6 5023 1 1 32 VAL HG22 H 0.245 -4.070 6.839 1.00 . A A . 32 VAL HG22 1 1 6 5024 1 1 32 VAL HG23 H -0.880 -2.821 6.313 1.00 . A A . 32 VAL HG23 1 1 6 5025 1 1 32 VAL N N 0.897 -0.827 6.109 1.00 . A A . 32 VAL N 1 1 6 5026 1 1 32 VAL O O 3.470 -2.873 7.544 1.00 . A A . 32 VAL O 1 1 6 5027 1 1 33 CYS C C 4.556 -3.803 4.634 1.00 . A A . 33 CYS C 1 1 6 5028 1 1 33 CYS CA C 3.249 -4.327 5.218 1.00 . A A . 33 CYS CA 1 1 6 5029 1 1 33 CYS CB C 2.540 -5.256 4.215 1.00 . A A . 33 CYS CB 1 1 6 5030 1 1 33 CYS H H 1.726 -2.923 4.948 1.00 . A A . 33 CYS H 1 1 6 5031 1 1 33 CYS HA H 3.470 -4.891 6.114 1.00 . A A . 33 CYS HA 1 1 6 5032 1 1 33 CYS HB2 H 3.133 -6.100 3.904 1.00 . A A . 33 CYS HB2 1 1 6 5033 1 1 33 CYS HB3 H 1.603 -5.598 4.620 1.00 . A A . 33 CYS HB3 1 1 6 5034 1 1 33 CYS N N 2.374 -3.230 5.615 1.00 . A A . 33 CYS N 1 1 6 5035 1 1 33 CYS O O 5.591 -4.450 4.734 1.00 . A A . 33 CYS O 1 1 6 5036 1 1 33 CYS SG S 2.062 -4.428 2.738 1.00 . A A . 33 CYS SG 1 1 6 5037 1 1 34 VAL C C 6.257 -0.971 4.409 1.00 . A A . 34 VAL C 1 1 6 5038 1 1 34 VAL CA C 5.648 -2.048 3.446 1.00 . A A . 34 VAL CA 1 1 6 5039 1 1 34 VAL CB C 5.291 -1.459 2.057 1.00 . A A . 34 VAL CB 1 1 6 5040 1 1 34 VAL CG1 C 4.488 -0.180 2.109 1.00 . A A . 34 VAL CG1 1 1 6 5041 1 1 34 VAL CG2 C 6.501 -1.343 1.231 1.00 . A A . 34 VAL CG2 1 1 6 5042 1 1 34 VAL H H 3.705 -2.066 3.973 1.00 . A A . 34 VAL H 1 1 6 5043 1 1 34 VAL HA H 6.376 -2.836 3.319 1.00 . A A . 34 VAL HA 1 1 6 5044 1 1 34 VAL HB H 4.616 -2.114 1.521 1.00 . A A . 34 VAL HB 1 1 6 5045 1 1 34 VAL HG11 H 3.531 -0.298 2.606 1.00 . A A . 34 VAL HG11 1 1 6 5046 1 1 34 VAL HG12 H 4.316 0.176 1.103 1.00 . A A . 34 VAL HG12 1 1 6 5047 1 1 34 VAL HG13 H 5.077 0.554 2.635 1.00 . A A . 34 VAL HG13 1 1 6 5048 1 1 34 VAL HG21 H 7.227 -0.797 1.810 1.00 . A A . 34 VAL HG21 1 1 6 5049 1 1 34 VAL HG22 H 6.244 -0.863 0.301 1.00 . A A . 34 VAL HG22 1 1 6 5050 1 1 34 VAL HG23 H 6.784 -2.378 1.087 1.00 . A A . 34 VAL HG23 1 1 6 5051 1 1 34 VAL N N 4.506 -2.615 4.040 1.00 . A A . 34 VAL N 1 1 6 5052 1 1 34 VAL O O 7.153 -0.228 4.058 1.00 . A A . 34 VAL O 1 1 6 5053 1 1 35 GLY C C 6.114 1.462 6.317 1.00 . A A . 35 GLY C 1 1 6 5054 1 1 35 GLY CA C 6.274 -0.032 6.656 1.00 . A A . 35 GLY CA 1 1 6 5055 1 1 35 GLY H H 5.169 -1.694 5.890 1.00 . A A . 35 GLY H 1 1 6 5056 1 1 35 GLY HA2 H 5.706 -0.208 7.560 1.00 . A A . 35 GLY HA2 1 1 6 5057 1 1 35 GLY HA3 H 7.309 -0.247 6.870 1.00 . A A . 35 GLY HA3 1 1 6 5058 1 1 35 GLY N N 5.784 -0.975 5.650 1.00 . A A . 35 GLY N 1 1 6 5059 1 1 35 GLY O O 7.073 2.235 6.429 1.00 . A A . 35 GLY O 1 1 6 5060 1 1 36 VAL C C 3.924 3.792 6.865 1.00 . A A . 36 VAL C 1 1 6 5061 1 1 36 VAL CA C 4.665 3.255 5.647 1.00 . A A . 36 VAL CA 1 1 6 5062 1 1 36 VAL CB C 3.690 3.472 4.439 1.00 . A A . 36 VAL CB 1 1 6 5063 1 1 36 VAL CG1 C 3.475 4.869 4.116 1.00 . A A . 36 VAL CG1 1 1 6 5064 1 1 36 VAL CG2 C 4.121 2.861 3.213 1.00 . A A . 36 VAL CG2 1 1 6 5065 1 1 36 VAL H H 4.230 1.203 5.751 1.00 . A A . 36 VAL H 1 1 6 5066 1 1 36 VAL HA H 5.581 3.804 5.487 1.00 . A A . 36 VAL HA 1 1 6 5067 1 1 36 VAL HB H 2.733 3.043 4.699 1.00 . A A . 36 VAL HB 1 1 6 5068 1 1 36 VAL HG11 H 3.266 5.502 4.962 1.00 . A A . 36 VAL HG11 1 1 6 5069 1 1 36 VAL HG12 H 2.573 4.744 3.531 1.00 . A A . 36 VAL HG12 1 1 6 5070 1 1 36 VAL HG13 H 4.274 5.200 3.468 1.00 . A A . 36 VAL HG13 1 1 6 5071 1 1 36 VAL HG21 H 5.177 3.005 3.041 1.00 . A A . 36 VAL HG21 1 1 6 5072 1 1 36 VAL HG22 H 3.547 3.448 2.500 1.00 . A A . 36 VAL HG22 1 1 6 5073 1 1 36 VAL HG23 H 3.814 1.826 3.211 1.00 . A A . 36 VAL HG23 1 1 6 5074 1 1 36 VAL N N 4.952 1.857 5.894 1.00 . A A . 36 VAL N 1 1 6 5075 1 1 36 VAL O O 3.241 3.040 7.556 1.00 . A A . 36 VAL O 1 1 6 5076 1 1 37 SER C C 2.268 6.574 7.294 1.00 . A A . 37 SER C 1 1 6 5077 1 1 37 SER CA C 3.247 5.701 8.101 1.00 . A A . 37 SER CA 1 1 6 5078 1 1 37 SER CB C 4.139 6.574 8.989 1.00 . A A . 37 SER CB 1 1 6 5079 1 1 37 SER H H 4.616 5.759 6.737 1.00 . A A . 37 SER H 1 1 6 5080 1 1 37 SER HA H 2.732 4.953 8.685 1.00 . A A . 37 SER HA 1 1 6 5081 1 1 37 SER HB2 H 4.546 7.393 8.416 1.00 . A A . 37 SER HB2 1 1 6 5082 1 1 37 SER HB3 H 3.556 6.969 9.805 1.00 . A A . 37 SER HB3 1 1 6 5083 1 1 37 SER HG H 5.114 4.897 9.236 1.00 . A A . 37 SER HG 1 1 6 5084 1 1 37 SER N N 4.047 5.064 7.128 1.00 . A A . 37 SER N 1 1 6 5085 1 1 37 SER O O 2.691 7.158 6.268 1.00 . A A . 37 SER O 1 1 6 5086 1 1 37 SER OG O 5.209 5.818 9.521 1.00 . A A . 37 SER OG 1 1 6 5087 1 1 38 PRO C C 0.377 8.827 6.511 1.00 . A A . 38 PRO C 1 1 6 5088 1 1 38 PRO CA C -0.079 7.431 6.967 1.00 . A A . 38 PRO CA 1 1 6 5089 1 1 38 PRO CB C -1.182 7.565 8.007 1.00 . A A . 38 PRO CB 1 1 6 5090 1 1 38 PRO CD C 0.432 6.064 8.943 1.00 . A A . 38 PRO CD 1 1 6 5091 1 1 38 PRO CG C -1.042 6.342 8.850 1.00 . A A . 38 PRO CG 1 1 6 5092 1 1 38 PRO HA H -0.445 6.876 6.116 1.00 . A A . 38 PRO HA 1 1 6 5093 1 1 38 PRO HB2 H -1.008 8.464 8.580 1.00 . A A . 38 PRO HB2 1 1 6 5094 1 1 38 PRO HB3 H -2.146 7.609 7.523 1.00 . A A . 38 PRO HB3 1 1 6 5095 1 1 38 PRO HD2 H 0.853 6.527 9.825 1.00 . A A . 38 PRO HD2 1 1 6 5096 1 1 38 PRO HD3 H 0.615 4.999 8.958 1.00 . A A . 38 PRO HD3 1 1 6 5097 1 1 38 PRO HG2 H -1.459 6.524 9.829 1.00 . A A . 38 PRO HG2 1 1 6 5098 1 1 38 PRO HG3 H -1.550 5.512 8.380 1.00 . A A . 38 PRO HG3 1 1 6 5099 1 1 38 PRO N N 0.979 6.679 7.711 1.00 . A A . 38 PRO N 1 1 6 5100 1 1 38 PRO O O 0.089 9.275 5.367 1.00 . A A . 38 PRO O 1 1 6 5101 1 1 39 GLU C C 2.531 10.833 5.960 1.00 . A A . 39 GLU C 1 1 6 5102 1 1 39 GLU CA C 1.629 10.826 7.163 1.00 . A A . 39 GLU CA 1 1 6 5103 1 1 39 GLU CB C 2.461 11.277 8.363 1.00 . A A . 39 GLU CB 1 1 6 5104 1 1 39 GLU CD C 2.602 11.684 10.841 1.00 . A A . 39 GLU CD 1 1 6 5105 1 1 39 GLU CG C 1.733 11.240 9.677 1.00 . A A . 39 GLU CG 1 1 6 5106 1 1 39 GLU H H 1.302 9.015 8.236 1.00 . A A . 39 GLU H 1 1 6 5107 1 1 39 GLU HA H 0.810 11.511 7.026 1.00 . A A . 39 GLU HA 1 1 6 5108 1 1 39 GLU HB2 H 3.332 10.646 8.440 1.00 . A A . 39 GLU HB2 1 1 6 5109 1 1 39 GLU HB3 H 2.795 12.287 8.184 1.00 . A A . 39 GLU HB3 1 1 6 5110 1 1 39 GLU HG2 H 0.871 11.876 9.569 1.00 . A A . 39 GLU HG2 1 1 6 5111 1 1 39 GLU HG3 H 1.396 10.229 9.842 1.00 . A A . 39 GLU HG3 1 1 6 5112 1 1 39 GLU N N 1.125 9.485 7.395 1.00 . A A . 39 GLU N 1 1 6 5113 1 1 39 GLU O O 2.405 11.677 5.079 1.00 . A A . 39 GLU O 1 1 6 5114 1 1 39 GLU OE1 O 3.378 10.839 11.362 1.00 . A A . 39 GLU OE1 1 1 6 5115 1 1 39 GLU OE2 O 2.512 12.857 11.275 1.00 . A A . 39 GLU OE2 1 1 6 5116 1 1 40 MET C C 3.921 9.563 3.501 1.00 . A A . 40 MET C 1 1 6 5117 1 1 40 MET CA C 4.431 9.816 4.900 1.00 . A A . 40 MET CA 1 1 6 5118 1 1 40 MET CB C 5.545 8.835 5.269 1.00 . A A . 40 MET CB 1 1 6 5119 1 1 40 MET CE C 8.131 10.733 5.176 1.00 . A A . 40 MET CE 1 1 6 5120 1 1 40 MET CG C 6.258 9.181 6.570 1.00 . A A . 40 MET CG 1 1 6 5121 1 1 40 MET H H 3.125 9.086 6.473 1.00 . A A . 40 MET H 1 1 6 5122 1 1 40 MET HA H 4.853 10.813 4.908 1.00 . A A . 40 MET HA 1 1 6 5123 1 1 40 MET HB2 H 5.108 7.853 5.366 1.00 . A A . 40 MET HB2 1 1 6 5124 1 1 40 MET HB3 H 6.274 8.811 4.474 1.00 . A A . 40 MET HB3 1 1 6 5125 1 1 40 MET HE1 H 8.654 11.671 5.069 1.00 . A A . 40 MET HE1 1 1 6 5126 1 1 40 MET HE2 H 7.598 10.512 4.265 1.00 . A A . 40 MET HE2 1 1 6 5127 1 1 40 MET HE3 H 8.836 9.935 5.367 1.00 . A A . 40 MET HE3 1 1 6 5128 1 1 40 MET HG2 H 5.543 9.123 7.375 1.00 . A A . 40 MET HG2 1 1 6 5129 1 1 40 MET HG3 H 7.052 8.465 6.727 1.00 . A A . 40 MET HG3 1 1 6 5130 1 1 40 MET N N 3.368 9.843 5.893 1.00 . A A . 40 MET N 1 1 6 5131 1 1 40 MET O O 4.224 10.320 2.605 1.00 . A A . 40 MET O 1 1 6 5132 1 1 40 MET SD S 6.973 10.842 6.552 1.00 . A A . 40 MET SD 1 1 6 5133 1 1 41 ALA C C 1.672 9.171 1.387 1.00 . A A . 41 ALA C 1 1 6 5134 1 1 41 ALA CA C 2.621 8.159 1.981 1.00 . A A . 41 ALA CA 1 1 6 5135 1 1 41 ALA CB C 1.939 6.841 2.015 1.00 . A A . 41 ALA CB 1 1 6 5136 1 1 41 ALA H H 2.797 7.949 4.063 1.00 . A A . 41 ALA H 1 1 6 5137 1 1 41 ALA HA H 3.484 8.063 1.340 1.00 . A A . 41 ALA HA 1 1 6 5138 1 1 41 ALA HB1 H 1.537 6.658 1.030 1.00 . A A . 41 ALA HB1 1 1 6 5139 1 1 41 ALA HB2 H 1.147 6.930 2.742 1.00 . A A . 41 ALA HB2 1 1 6 5140 1 1 41 ALA HB3 H 2.641 6.057 2.280 1.00 . A A . 41 ALA HB3 1 1 6 5141 1 1 41 ALA N N 3.099 8.523 3.324 1.00 . A A . 41 ALA N 1 1 6 5142 1 1 41 ALA O O 1.661 9.362 0.205 1.00 . A A . 41 ALA O 1 1 6 5143 1 1 42 GLU C C 0.533 12.104 1.390 1.00 . A A . 42 GLU C 1 1 6 5144 1 1 42 GLU CA C -0.073 10.728 1.573 1.00 . A A . 42 GLU CA 1 1 6 5145 1 1 42 GLU CB C -1.388 10.787 2.333 1.00 . A A . 42 GLU CB 1 1 6 5146 1 1 42 GLU CD C -3.536 9.618 2.941 1.00 . A A . 42 GLU CD 1 1 6 5147 1 1 42 GLU CG C -2.207 9.511 2.236 1.00 . A A . 42 GLU CG 1 1 6 5148 1 1 42 GLU H H 0.862 9.718 3.159 1.00 . A A . 42 GLU H 1 1 6 5149 1 1 42 GLU HA H -0.264 10.318 0.592 1.00 . A A . 42 GLU HA 1 1 6 5150 1 1 42 GLU HB2 H -1.114 10.897 3.370 1.00 . A A . 42 GLU HB2 1 1 6 5151 1 1 42 GLU HB3 H -1.984 11.625 2.004 1.00 . A A . 42 GLU HB3 1 1 6 5152 1 1 42 GLU HG2 H -2.389 9.309 1.190 1.00 . A A . 42 GLU HG2 1 1 6 5153 1 1 42 GLU HG3 H -1.643 8.696 2.665 1.00 . A A . 42 GLU HG3 1 1 6 5154 1 1 42 GLU N N 0.858 9.807 2.181 1.00 . A A . 42 GLU N 1 1 6 5155 1 1 42 GLU O O 0.058 12.899 0.580 1.00 . A A . 42 GLU O 1 1 6 5156 1 1 42 GLU OE1 O -4.505 10.102 2.323 1.00 . A A . 42 GLU OE1 1 1 6 5157 1 1 42 GLU OE2 O -3.629 9.215 4.116 1.00 . A A . 42 GLU OE2 1 1 6 5158 1 1 43 ASN C C 3.433 13.782 1.144 1.00 . A A . 43 ASN C 1 1 6 5159 1 1 43 ASN CA C 2.218 13.693 2.066 1.00 . A A . 43 ASN CA 1 1 6 5160 1 1 43 ASN CB C 2.518 14.266 3.430 1.00 . A A . 43 ASN CB 1 1 6 5161 1 1 43 ASN CG C 1.270 14.745 4.166 1.00 . A A . 43 ASN CG 1 1 6 5162 1 1 43 ASN H H 1.822 11.674 2.779 1.00 . A A . 43 ASN H 1 1 6 5163 1 1 43 ASN HA H 1.474 14.337 1.615 1.00 . A A . 43 ASN HA 1 1 6 5164 1 1 43 ASN HB2 H 3.000 13.491 4.012 1.00 . A A . 43 ASN HB2 1 1 6 5165 1 1 43 ASN HB3 H 3.205 15.074 3.285 1.00 . A A . 43 ASN HB3 1 1 6 5166 1 1 43 ASN HD21 H 1.130 13.025 5.081 1.00 . A A . 43 ASN HD21 1 1 6 5167 1 1 43 ASN HD22 H -0.108 14.186 5.479 1.00 . A A . 43 ASN HD22 1 1 6 5168 1 1 43 ASN N N 1.578 12.387 2.147 1.00 . A A . 43 ASN N 1 1 6 5169 1 1 43 ASN ND2 N 0.697 13.902 4.996 1.00 . A A . 43 ASN ND2 1 1 6 5170 1 1 43 ASN O O 3.641 14.826 0.513 1.00 . A A . 43 ASN O 1 1 6 5171 1 1 43 ASN OD1 O 0.845 15.877 4.003 1.00 . A A . 43 ASN OD1 1 1 6 5172 1 1 44 GLU C C 5.539 11.484 -0.591 1.00 . A A . 44 GLU C 1 1 6 5173 1 1 44 GLU CA C 5.418 12.749 0.230 1.00 . A A . 44 GLU CA 1 1 6 5174 1 1 44 GLU CB C 6.680 12.963 1.093 1.00 . A A . 44 GLU CB 1 1 6 5175 1 1 44 GLU CD C 8.021 14.513 2.573 1.00 . A A . 44 GLU CD 1 1 6 5176 1 1 44 GLU CG C 6.755 14.329 1.773 1.00 . A A . 44 GLU CG 1 1 6 5177 1 1 44 GLU H H 3.948 11.889 1.480 1.00 . A A . 44 GLU H 1 1 6 5178 1 1 44 GLU HA H 5.305 13.592 -0.436 1.00 . A A . 44 GLU HA 1 1 6 5179 1 1 44 GLU HB2 H 6.702 12.214 1.872 1.00 . A A . 44 GLU HB2 1 1 6 5180 1 1 44 GLU HB3 H 7.559 12.842 0.478 1.00 . A A . 44 GLU HB3 1 1 6 5181 1 1 44 GLU HG2 H 6.694 15.096 1.017 1.00 . A A . 44 GLU HG2 1 1 6 5182 1 1 44 GLU HG3 H 5.908 14.419 2.439 1.00 . A A . 44 GLU HG3 1 1 6 5183 1 1 44 GLU N N 4.210 12.727 1.042 1.00 . A A . 44 GLU N 1 1 6 5184 1 1 44 GLU O O 4.875 10.498 -0.301 1.00 . A A . 44 GLU O 1 1 6 5185 1 1 44 GLU OE1 O 9.119 14.391 1.993 1.00 . A A . 44 GLU OE1 1 1 6 5186 1 1 44 GLU OE2 O 7.942 14.837 3.771 1.00 . A A . 44 GLU OE2 1 1 6 5187 1 1 45 ASP C C 7.160 9.225 -1.699 1.00 . A A . 45 ASP C 1 1 6 5188 1 1 45 ASP CA C 6.648 10.389 -2.515 1.00 . A A . 45 ASP CA 1 1 6 5189 1 1 45 ASP CB C 7.723 10.748 -3.570 1.00 . A A . 45 ASP CB 1 1 6 5190 1 1 45 ASP CG C 7.384 11.967 -4.398 1.00 . A A . 45 ASP CG 1 1 6 5191 1 1 45 ASP H H 6.881 12.354 -1.847 1.00 . A A . 45 ASP H 1 1 6 5192 1 1 45 ASP HA H 5.735 10.110 -3.018 1.00 . A A . 45 ASP HA 1 1 6 5193 1 1 45 ASP HB2 H 8.673 10.906 -3.083 1.00 . A A . 45 ASP HB2 1 1 6 5194 1 1 45 ASP HB3 H 7.827 9.904 -4.236 1.00 . A A . 45 ASP HB3 1 1 6 5195 1 1 45 ASP N N 6.393 11.535 -1.626 1.00 . A A . 45 ASP N 1 1 6 5196 1 1 45 ASP O O 8.063 9.397 -0.853 1.00 . A A . 45 ASP O 1 1 6 5197 1 1 45 ASP OD1 O 7.599 13.101 -3.912 1.00 . A A . 45 ASP OD1 1 1 6 5198 1 1 45 ASP OD2 O 6.903 11.826 -5.538 1.00 . A A . 45 ASP OD2 1 1 6 5199 1 1 46 TYR C C 7.785 5.877 -2.001 1.00 . A A . 46 TYR C 1 1 6 5200 1 1 46 TYR CA C 7.041 6.933 -1.172 1.00 . A A . 46 TYR CA 1 1 6 5201 1 1 46 TYR CB C 5.904 6.356 -0.302 1.00 . A A . 46 TYR CB 1 1 6 5202 1 1 46 TYR CD1 C 7.228 5.206 1.518 1.00 . A A . 46 TYR CD1 1 1 6 5203 1 1 46 TYR CD2 C 5.937 3.923 0.030 1.00 . A A . 46 TYR CD2 1 1 6 5204 1 1 46 TYR CE1 C 7.665 4.051 2.139 1.00 . A A . 46 TYR CE1 1 1 6 5205 1 1 46 TYR CE2 C 6.367 2.769 0.615 1.00 . A A . 46 TYR CE2 1 1 6 5206 1 1 46 TYR CG C 6.345 5.133 0.448 1.00 . A A . 46 TYR CG 1 1 6 5207 1 1 46 TYR CZ C 7.228 2.829 1.668 1.00 . A A . 46 TYR CZ 1 1 6 5208 1 1 46 TYR H H 5.972 7.984 -2.665 1.00 . A A . 46 TYR H 1 1 6 5209 1 1 46 TYR HA H 7.801 7.291 -0.499 1.00 . A A . 46 TYR HA 1 1 6 5210 1 1 46 TYR HB2 H 5.585 7.093 0.419 1.00 . A A . 46 TYR HB2 1 1 6 5211 1 1 46 TYR HB3 H 5.081 6.084 -0.943 1.00 . A A . 46 TYR HB3 1 1 6 5212 1 1 46 TYR HD1 H 7.558 6.176 1.865 1.00 . A A . 46 TYR HD1 1 1 6 5213 1 1 46 TYR HD2 H 5.248 3.968 -0.793 1.00 . A A . 46 TYR HD2 1 1 6 5214 1 1 46 TYR HE1 H 8.347 4.104 2.975 1.00 . A A . 46 TYR HE1 1 1 6 5215 1 1 46 TYR HE2 H 6.012 1.822 0.239 1.00 . A A . 46 TYR HE2 1 1 6 5216 1 1 46 TYR HH H 7.602 1.678 3.194 1.00 . A A . 46 TYR HH 1 1 6 5217 1 1 46 TYR N N 6.633 8.061 -1.933 1.00 . A A . 46 TYR N 1 1 6 5218 1 1 46 TYR O O 7.422 5.549 -3.118 1.00 . A A . 46 TYR O 1 1 6 5219 1 1 46 TYR OH O 7.668 1.666 2.234 1.00 . A A . 46 TYR OH 1 1 6 5220 1 1 47 ILE C C 9.809 3.142 -1.238 1.00 . A A . 47 ILE C 1 1 6 5221 1 1 47 ILE CA C 9.737 4.422 -2.058 1.00 . A A . 47 ILE CA 1 1 6 5222 1 1 47 ILE CB C 11.179 5.024 -2.190 1.00 . A A . 47 ILE CB 1 1 6 5223 1 1 47 ILE CD1 C 10.646 6.300 -4.361 1.00 . A A . 47 ILE CD1 1 1 6 5224 1 1 47 ILE CG1 C 11.165 6.372 -2.939 1.00 . A A . 47 ILE CG1 1 1 6 5225 1 1 47 ILE CG2 C 12.138 4.049 -2.867 1.00 . A A . 47 ILE CG2 1 1 6 5226 1 1 47 ILE H H 8.819 5.748 -0.509 1.00 . A A . 47 ILE H 1 1 6 5227 1 1 47 ILE HA H 9.366 4.162 -3.042 1.00 . A A . 47 ILE HA 1 1 6 5228 1 1 47 ILE HB H 11.550 5.190 -1.190 1.00 . A A . 47 ILE HB 1 1 6 5229 1 1 47 ILE HD11 H 9.634 5.918 -4.359 1.00 . A A . 47 ILE HD11 1 1 6 5230 1 1 47 ILE HD12 H 11.276 5.648 -4.948 1.00 . A A . 47 ILE HD12 1 1 6 5231 1 1 47 ILE HD13 H 10.656 7.291 -4.791 1.00 . A A . 47 ILE HD13 1 1 6 5232 1 1 47 ILE HG12 H 10.534 7.065 -2.404 1.00 . A A . 47 ILE HG12 1 1 6 5233 1 1 47 ILE HG13 H 12.173 6.760 -2.964 1.00 . A A . 47 ILE HG13 1 1 6 5234 1 1 47 ILE HG21 H 11.772 3.829 -3.857 1.00 . A A . 47 ILE HG21 1 1 6 5235 1 1 47 ILE HG22 H 12.189 3.141 -2.284 1.00 . A A . 47 ILE HG22 1 1 6 5236 1 1 47 ILE HG23 H 13.118 4.498 -2.934 1.00 . A A . 47 ILE HG23 1 1 6 5237 1 1 47 ILE N N 8.838 5.371 -1.414 1.00 . A A . 47 ILE N 1 1 6 5238 1 1 47 ILE O O 10.026 3.186 -0.030 1.00 . A A . 47 ILE O 1 1 6 5239 1 1 48 CYS C C 11.174 0.289 -1.176 1.00 . A A . 48 CYS C 1 1 6 5240 1 1 48 CYS CA C 9.702 0.730 -1.235 1.00 . A A . 48 CYS CA 1 1 6 5241 1 1 48 CYS CB C 8.922 -0.317 -2.016 1.00 . A A . 48 CYS CB 1 1 6 5242 1 1 48 CYS H H 9.448 2.089 -2.862 1.00 . A A . 48 CYS H 1 1 6 5243 1 1 48 CYS HA H 9.298 0.820 -0.239 1.00 . A A . 48 CYS HA 1 1 6 5244 1 1 48 CYS HB2 H 8.736 -1.153 -1.353 1.00 . A A . 48 CYS HB2 1 1 6 5245 1 1 48 CYS HB3 H 7.974 0.106 -2.323 1.00 . A A . 48 CYS HB3 1 1 6 5246 1 1 48 CYS N N 9.632 2.014 -1.902 1.00 . A A . 48 CYS N 1 1 6 5247 1 1 48 CYS O O 12.024 0.883 -1.849 1.00 . A A . 48 CYS O 1 1 6 5248 1 1 48 CYS SG S 9.790 -0.962 -3.476 1.00 . A A . 48 CYS SG 1 1 6 5249 1 1 49 ILE C C 13.395 -1.808 -1.600 1.00 . A A . 49 ILE C 1 1 6 5250 1 1 49 ILE CA C 12.824 -1.270 -0.309 1.00 . A A . 49 ILE CA 1 1 6 5251 1 1 49 ILE CB C 12.931 -2.260 0.833 1.00 . A A . 49 ILE CB 1 1 6 5252 1 1 49 ILE CD1 C 12.717 -4.597 -0.178 1.00 . A A . 49 ILE CD1 1 1 6 5253 1 1 49 ILE CG1 C 12.088 -3.488 0.650 1.00 . A A . 49 ILE CG1 1 1 6 5254 1 1 49 ILE CG2 C 12.511 -1.567 2.078 1.00 . A A . 49 ILE CG2 1 1 6 5255 1 1 49 ILE H H 10.784 -1.291 0.042 1.00 . A A . 49 ILE H 1 1 6 5256 1 1 49 ILE HA H 13.387 -0.407 -0.012 1.00 . A A . 49 ILE HA 1 1 6 5257 1 1 49 ILE HB H 13.968 -2.540 0.913 1.00 . A A . 49 ILE HB 1 1 6 5258 1 1 49 ILE HD11 H 12.929 -4.228 -1.171 1.00 . A A . 49 ILE HD11 1 1 6 5259 1 1 49 ILE HD12 H 12.038 -5.434 -0.242 1.00 . A A . 49 ILE HD12 1 1 6 5260 1 1 49 ILE HD13 H 13.638 -4.917 0.286 1.00 . A A . 49 ILE HD13 1 1 6 5261 1 1 49 ILE HG12 H 12.026 -3.760 1.680 1.00 . A A . 49 ILE HG12 1 1 6 5262 1 1 49 ILE HG13 H 11.111 -3.216 0.274 1.00 . A A . 49 ILE HG13 1 1 6 5263 1 1 49 ILE HG21 H 12.560 -2.246 2.913 1.00 . A A . 49 ILE HG21 1 1 6 5264 1 1 49 ILE HG22 H 11.495 -1.272 1.853 1.00 . A A . 49 ILE HG22 1 1 6 5265 1 1 49 ILE HG23 H 13.137 -0.699 2.218 1.00 . A A . 49 ILE HG23 1 1 6 5266 1 1 49 ILE N N 11.468 -0.787 -0.444 1.00 . A A . 49 ILE N 1 1 6 5267 1 1 49 ILE O O 14.583 -1.743 -1.843 1.00 . A A . 49 ILE O 1 1 6 5268 1 1 50 ASN C C 13.395 -1.735 -4.697 1.00 . A A . 50 ASN C 1 1 6 5269 1 1 50 ASN CA C 12.854 -2.817 -3.771 1.00 . A A . 50 ASN CA 1 1 6 5270 1 1 50 ASN CB C 11.645 -3.506 -4.454 1.00 . A A . 50 ASN CB 1 1 6 5271 1 1 50 ASN CG C 11.164 -4.769 -3.760 1.00 . A A . 50 ASN CG 1 1 6 5272 1 1 50 ASN H H 11.586 -2.168 -2.112 1.00 . A A . 50 ASN H 1 1 6 5273 1 1 50 ASN HA H 13.630 -3.551 -3.608 1.00 . A A . 50 ASN HA 1 1 6 5274 1 1 50 ASN HB2 H 10.815 -2.813 -4.474 1.00 . A A . 50 ASN HB2 1 1 6 5275 1 1 50 ASN HB3 H 11.914 -3.752 -5.470 1.00 . A A . 50 ASN HB3 1 1 6 5276 1 1 50 ASN HD21 H 9.290 -4.465 -4.379 1.00 . A A . 50 ASN HD21 1 1 6 5277 1 1 50 ASN HD22 H 9.565 -5.880 -3.439 1.00 . A A . 50 ASN HD22 1 1 6 5278 1 1 50 ASN N N 12.503 -2.257 -2.449 1.00 . A A . 50 ASN N 1 1 6 5279 1 1 50 ASN ND2 N 9.883 -5.056 -3.871 1.00 . A A . 50 ASN ND2 1 1 6 5280 1 1 50 ASN O O 14.097 -2.022 -5.670 1.00 . A A . 50 ASN O 1 1 6 5281 1 1 50 ASN OD1 O 11.932 -5.473 -3.146 1.00 . A A . 50 ASN OD1 1 1 6 5282 1 1 51 CYS C C 14.534 1.459 -4.402 1.00 . A A . 51 CYS C 1 1 6 5283 1 1 51 CYS CA C 13.511 0.627 -5.199 1.00 . A A . 51 CYS CA 1 1 6 5284 1 1 51 CYS CB C 12.315 1.493 -5.669 1.00 . A A . 51 CYS CB 1 1 6 5285 1 1 51 CYS H H 12.484 -0.325 -3.621 1.00 . A A . 51 CYS H 1 1 6 5286 1 1 51 CYS HA H 14.011 0.217 -6.064 1.00 . A A . 51 CYS HA 1 1 6 5287 1 1 51 CYS HB2 H 11.773 1.904 -4.834 1.00 . A A . 51 CYS HB2 1 1 6 5288 1 1 51 CYS HB3 H 12.623 2.293 -6.326 1.00 . A A . 51 CYS HB3 1 1 6 5289 1 1 51 CYS N N 13.053 -0.497 -4.402 1.00 . A A . 51 CYS N 1 1 6 5290 1 1 51 CYS O O 15.058 2.447 -4.884 1.00 . A A . 51 CYS O 1 1 6 5291 1 1 51 CYS SG S 11.115 0.584 -6.635 1.00 . A A . 51 CYS SG 1 1 6 5292 1 1 52 ALA C C 17.202 1.136 -2.425 1.00 . A A . 52 ALA C 1 1 6 5293 1 1 52 ALA CA C 15.785 1.727 -2.308 1.00 . A A . 52 ALA CA 1 1 6 5294 1 1 52 ALA CB C 15.319 1.696 -0.857 1.00 . A A . 52 ALA CB 1 1 6 5295 1 1 52 ALA H H 14.359 0.225 -2.847 1.00 . A A . 52 ALA H 1 1 6 5296 1 1 52 ALA HA H 15.825 2.756 -2.629 1.00 . A A . 52 ALA HA 1 1 6 5297 1 1 52 ALA HB1 H 14.316 2.092 -0.782 1.00 . A A . 52 ALA HB1 1 1 6 5298 1 1 52 ALA HB2 H 15.986 2.284 -0.246 1.00 . A A . 52 ALA HB2 1 1 6 5299 1 1 52 ALA HB3 H 15.342 0.678 -0.499 1.00 . A A . 52 ALA HB3 1 1 6 5300 1 1 52 ALA N N 14.818 1.026 -3.176 1.00 . A A . 52 ALA N 1 1 6 5301 2 2 1 ALA C C 1.042 8.908 -3.489 1.00 . B B . 301 ALA C 1 1 6 5302 2 2 1 ALA CA C 2.534 9.119 -3.292 1.00 . B B . 301 ALA CA 1 1 6 5303 2 2 1 ALA CB C 3.061 8.149 -2.252 1.00 . B B . 301 ALA CB 1 1 6 5304 2 2 1 ALA HA H 3.032 8.923 -4.231 1.00 . B B . 301 ALA HA 1 1 6 5305 2 2 1 ALA HB1 H 2.925 7.134 -2.593 1.00 . B B . 301 ALA HB1 1 1 6 5306 2 2 1 ALA HB2 H 2.537 8.288 -1.318 1.00 . B B . 301 ALA HB2 1 1 6 5307 2 2 1 ALA HB3 H 4.114 8.327 -2.102 1.00 . B B . 301 ALA HB3 1 1 6 5308 2 2 1 ALA N N 2.830 10.532 -2.912 1.00 . B B . 301 ALA N 1 1 6 5309 2 2 1 ALA O O 0.227 9.196 -2.592 1.00 . B B . 301 ALA O 1 1 6 5310 2 2 2 ARG C C -1.177 6.890 -4.210 1.00 . B B . 302 ARG C 1 1 6 5311 2 2 2 ARG CA C -0.740 8.176 -4.900 1.00 . B B . 302 ARG CA 1 1 6 5312 2 2 2 ARG CB C -1.071 8.163 -6.404 1.00 . B B . 302 ARG CB 1 1 6 5313 2 2 2 ARG CD C -2.891 8.104 -8.161 1.00 . B B . 302 ARG CD 1 1 6 5314 2 2 2 ARG CG C -2.547 7.944 -6.687 1.00 . B B . 302 ARG CG 1 1 6 5315 2 2 2 ARG CZ C -2.667 6.526 -10.068 1.00 . B B . 302 ARG CZ 1 1 6 5316 2 2 2 ARG H H 1.326 8.212 -5.339 1.00 . B B . 302 ARG H 1 1 6 5317 2 2 2 ARG HA H -1.277 8.991 -4.436 1.00 . B B . 302 ARG HA 1 1 6 5318 2 2 2 ARG HB2 H -0.783 9.115 -6.829 1.00 . B B . 302 ARG HB2 1 1 6 5319 2 2 2 ARG HB3 H -0.516 7.376 -6.895 1.00 . B B . 302 ARG HB3 1 1 6 5320 2 2 2 ARG HD2 H -3.946 7.924 -8.293 1.00 . B B . 302 ARG HD2 1 1 6 5321 2 2 2 ARG HD3 H -2.664 9.119 -8.452 1.00 . B B . 302 ARG HD3 1 1 6 5322 2 2 2 ARG HE H -1.181 7.106 -8.834 1.00 . B B . 302 ARG HE 1 1 6 5323 2 2 2 ARG HG2 H -2.815 6.948 -6.376 1.00 . B B . 302 ARG HG2 1 1 6 5324 2 2 2 ARG HG3 H -3.114 8.652 -6.104 1.00 . B B . 302 ARG HG3 1 1 6 5325 2 2 2 ARG HH11 H -4.633 7.108 -9.770 1.00 . B B . 302 ARG HH11 1 1 6 5326 2 2 2 ARG HH12 H -4.354 6.060 -11.086 1.00 . B B . 302 ARG HH12 1 1 6 5327 2 2 2 ARG HH21 H -0.895 5.705 -10.691 1.00 . B B . 302 ARG HH21 1 1 6 5328 2 2 2 ARG HH22 H -2.250 5.271 -11.627 1.00 . B B . 302 ARG HH22 1 1 6 5329 2 2 2 ARG N N 0.655 8.418 -4.654 1.00 . B B . 302 ARG N 1 1 6 5330 2 2 2 ARG NE N -2.143 7.190 -9.027 1.00 . B B . 302 ARG NE 1 1 6 5331 2 2 2 ARG NH1 N -3.973 6.580 -10.315 1.00 . B B . 302 ARG NH1 1 1 6 5332 2 2 2 ARG NH2 N -1.883 5.787 -10.845 1.00 . B B . 302 ARG NH2 1 1 6 5333 2 2 2 ARG O O -0.738 5.802 -4.545 1.00 . B B . 302 ARG O 1 1 6 5334 2 2 3 THR C C -3.902 5.574 -2.919 1.00 . B B . 303 THR C 1 1 6 5335 2 2 3 THR CA C -2.501 5.939 -2.459 1.00 . B B . 303 THR CA 1 1 6 5336 2 2 3 THR CB C -2.536 6.332 -0.975 1.00 . B B . 303 THR CB 1 1 6 5337 2 2 3 THR CG2 C -1.133 6.470 -0.437 1.00 . B B . 303 THR CG2 1 1 6 5338 2 2 3 THR H H -2.295 7.937 -2.961 1.00 . B B . 303 THR H 1 1 6 5339 2 2 3 THR HA H -1.823 5.105 -2.573 1.00 . B B . 303 THR HA 1 1 6 5340 2 2 3 THR HB H -3.055 5.559 -0.425 1.00 . B B . 303 THR HB 1 1 6 5341 2 2 3 THR HG1 H -2.759 8.136 -0.199 1.00 . B B . 303 THR HG1 1 1 6 5342 2 2 3 THR HG21 H -1.163 6.705 0.617 1.00 . B B . 303 THR HG21 1 1 6 5343 2 2 3 THR HG22 H -0.605 7.240 -0.985 1.00 . B B . 303 THR HG22 1 1 6 5344 2 2 3 THR HG23 H -0.652 5.517 -0.596 1.00 . B B . 303 THR HG23 1 1 6 5345 2 2 3 THR N N -1.996 7.041 -3.223 1.00 . B B . 303 THR N 1 1 6 5346 2 2 3 THR O O -4.456 6.215 -3.826 1.00 . B B . 303 THR O 1 1 6 5347 2 2 3 THR OG1 O -3.226 7.583 -0.835 1.00 . B B . 303 THR OG1 1 1 6 5348 2 2 4 . C C -6.497 3.555 -1.441 1.00 . B B . 304 M3L C 1 1 6 5349 2 2 4 . CA C -5.833 4.193 -2.622 1.00 . B B . 304 M3L CA 1 1 6 5350 2 2 4 . CB C -5.992 3.271 -3.846 1.00 . B B . 304 M3L CB 1 1 6 5351 2 2 4 . CD C -5.618 0.995 -4.827 1.00 . B B . 304 M3L CD 1 1 6 5352 2 2 4 . CE C -5.362 1.520 -6.212 1.00 . B B . 304 M3L CE 1 1 6 5353 2 2 4 . CG C -5.251 1.997 -3.751 1.00 . B B . 304 M3L CG 1 1 6 5354 2 2 4 . CM1 C -4.723 -0.726 -7.038 1.00 . B B . 304 M3L CM1 1 1 6 5355 2 2 4 . CM2 C -5.173 1.095 -8.584 1.00 . B B . 304 M3L CM2 1 1 6 5356 2 2 4 . CM3 C -6.976 0.027 -7.339 1.00 . B B . 304 M3L CM3 1 1 6 5357 2 2 4 . H H -3.962 4.064 -1.635 1.00 . B B . 304 M3L H 1 1 6 5358 2 2 4 . HA H -6.345 5.121 -2.826 1.00 . B B . 304 M3L HA 1 1 6 5359 2 2 4 . HB2 H -5.721 3.790 -4.754 1.00 . B B . 304 M3L HB2 1 1 6 5360 2 2 4 . HB3 H -7.023 2.961 -3.847 1.00 . B B . 304 M3L HB3 1 1 6 5361 2 2 4 . HD2 H -6.659 0.729 -4.730 1.00 . B B . 304 M3L HD2 1 1 6 5362 2 2 4 . HD3 H -4.992 0.125 -4.692 1.00 . B B . 304 M3L HD3 1 1 6 5363 2 2 4 . HE2 H -4.354 1.906 -6.250 1.00 . B B . 304 M3L HE2 1 1 6 5364 2 2 4 . HE3 H -6.066 2.330 -6.344 1.00 . B B . 304 M3L HE3 1 1 6 5365 2 2 4 . HG2 H -5.467 1.569 -2.782 1.00 . B B . 304 M3L HG2 1 1 6 5366 2 2 4 . HG3 H -4.199 2.215 -3.846 1.00 . B B . 304 M3L HG3 1 1 6 5367 2 2 4 . HM11 H -4.836 -1.490 -7.792 1.00 . B B . 304 M3L HM11 1 1 6 5368 2 2 4 . HM12 H -4.932 -1.224 -6.100 1.00 . B B . 304 M3L HM12 1 1 6 5369 2 2 4 . HM13 H -3.670 -0.478 -7.014 1.00 . B B . 304 M3L HM13 1 1 6 5370 2 2 4 . HM21 H -4.589 1.988 -8.406 1.00 . B B . 304 M3L HM21 1 1 6 5371 2 2 4 . HM22 H -6.005 1.384 -9.205 1.00 . B B . 304 M3L HM22 1 1 6 5372 2 2 4 . HM23 H -4.544 0.454 -9.184 1.00 . B B . 304 M3L HM23 1 1 6 5373 2 2 4 . HM31 H -7.676 0.841 -7.230 1.00 . B B . 304 M3L HM31 1 1 6 5374 2 2 4 . HM32 H -7.223 -0.679 -6.561 1.00 . B B . 304 M3L HM32 1 1 6 5375 2 2 4 . HM33 H -7.238 -0.453 -8.268 1.00 . B B . 304 M3L HM33 1 1 6 5376 2 2 4 . N N -4.466 4.558 -2.321 1.00 . B B . 304 M3L N 1 1 6 5377 2 2 4 . NZ N -5.568 0.472 -7.290 1.00 . B B . 304 M3L NZ 1 1 6 5378 2 2 4 . O O -5.839 3.189 -0.456 1.00 . B B . 304 M3L O 1 1 6 5379 2 2 5 GLN C C -9.622 1.931 -1.279 1.00 . B B . 305 GLN C 1 1 6 5380 2 2 5 GLN CA C -8.618 2.810 -0.558 1.00 . B B . 305 GLN CA 1 1 6 5381 2 2 5 GLN CB C -9.331 3.919 0.231 1.00 . B B . 305 GLN CB 1 1 6 5382 2 2 5 GLN CD C -10.873 4.612 2.108 1.00 . B B . 305 GLN CD 1 1 6 5383 2 2 5 GLN CG C -10.191 3.451 1.385 1.00 . B B . 305 GLN CG 1 1 6 5384 2 2 5 GLN H H -8.213 3.684 -2.403 1.00 . B B . 305 GLN H 1 1 6 5385 2 2 5 GLN HA H -8.012 2.208 0.105 1.00 . B B . 305 GLN HA 1 1 6 5386 2 2 5 GLN HB2 H -8.590 4.588 0.637 1.00 . B B . 305 GLN HB2 1 1 6 5387 2 2 5 GLN HB3 H -9.956 4.467 -0.462 1.00 . B B . 305 GLN HB3 1 1 6 5388 2 2 5 GLN HE21 H -12.460 4.500 0.922 1.00 . B B . 305 GLN HE21 1 1 6 5389 2 2 5 GLN HE22 H -12.517 5.701 2.149 1.00 . B B . 305 GLN HE22 1 1 6 5390 2 2 5 GLN HG2 H -10.951 2.789 0.995 1.00 . B B . 305 GLN HG2 1 1 6 5391 2 2 5 GLN HG3 H -9.564 2.920 2.088 1.00 . B B . 305 GLN HG3 1 1 6 5392 2 2 5 GLN N N -7.783 3.396 -1.566 1.00 . B B . 305 GLN N 1 1 6 5393 2 2 5 GLN NE2 N -12.053 4.970 1.680 1.00 . B B . 305 GLN NE2 1 1 6 5394 2 2 5 GLN O O -10.571 2.431 -1.899 1.00 . B B . 305 GLN O 1 1 6 5395 2 2 5 GLN OE1 O -10.326 5.187 3.048 1.00 . B B . 305 GLN OE1 1 1 6 5396 2 2 6 THR C C -11.394 -0.732 -1.098 1.00 . B B . 306 THR C 1 1 6 5397 2 2 6 THR CA C -10.258 -0.255 -1.984 1.00 . B B . 306 THR CA 1 1 6 5398 2 2 6 THR CB C -9.486 -1.487 -2.542 1.00 . B B . 306 THR CB 1 1 6 5399 2 2 6 THR CG2 C -8.400 -1.062 -3.534 1.00 . B B . 306 THR CG2 1 1 6 5400 2 2 6 THR H H -8.642 0.298 -0.732 1.00 . B B . 306 THR H 1 1 6 5401 2 2 6 THR HA H -10.668 0.297 -2.817 1.00 . B B . 306 THR HA 1 1 6 5402 2 2 6 THR HB H -10.190 -2.138 -3.038 1.00 . B B . 306 THR HB 1 1 6 5403 2 2 6 THR HG1 H -9.378 -1.921 -0.672 1.00 . B B . 306 THR HG1 1 1 6 5404 2 2 6 THR HG21 H -7.690 -0.418 -3.036 1.00 . B B . 306 THR HG21 1 1 6 5405 2 2 6 THR HG22 H -8.825 -0.548 -4.381 1.00 . B B . 306 THR HG22 1 1 6 5406 2 2 6 THR HG23 H -7.850 -1.933 -3.869 1.00 . B B . 306 THR HG23 1 1 6 5407 2 2 6 THR N N -9.397 0.643 -1.262 1.00 . B B . 306 THR N 1 1 6 5408 2 2 6 THR O O -11.153 -1.389 -0.074 1.00 . B B . 306 THR O 1 1 6 5409 2 2 6 THR OG1 O -8.885 -2.206 -1.454 1.00 . B B . 306 THR OG1 1 1 6 5410 2 2 7 ALA C C -14.199 -2.159 -1.358 1.00 . B B . 307 ALA C 1 1 6 5411 2 2 7 ALA CA C -13.779 -0.842 -0.763 1.00 . B B . 307 ALA CA 1 1 6 5412 2 2 7 ALA CB C -14.905 0.182 -0.829 1.00 . B B . 307 ALA CB 1 1 6 5413 2 2 7 ALA H H -12.716 0.211 -2.238 1.00 . B B . 307 ALA H 1 1 6 5414 2 2 7 ALA HA H -13.505 -1.015 0.264 1.00 . B B . 307 ALA HA 1 1 6 5415 2 2 7 ALA HB1 H -15.175 0.378 -1.856 1.00 . B B . 307 ALA HB1 1 1 6 5416 2 2 7 ALA HB2 H -14.591 1.096 -0.339 1.00 . B B . 307 ALA HB2 1 1 6 5417 2 2 7 ALA HB3 H -15.764 -0.208 -0.298 1.00 . B B . 307 ALA HB3 1 1 6 5418 2 2 7 ALA N N -12.605 -0.377 -1.463 1.00 . B B . 307 ALA N 1 1 6 5419 2 2 7 ALA O O -14.257 -2.313 -2.596 1.00 . B B . 307 ALA O 1 1 6 5420 2 2 8 ARG C C -16.044 -4.910 -0.354 1.00 . B B . 308 ARG C 1 1 6 5421 2 2 8 ARG CA C -14.744 -4.436 -0.947 1.00 . B B . 308 ARG CA 1 1 6 5422 2 2 8 ARG CB C -13.636 -5.380 -0.495 1.00 . B B . 308 ARG CB 1 1 6 5423 2 2 8 ARG CD C -11.247 -6.019 -0.589 1.00 . B B . 308 ARG CD 1 1 6 5424 2 2 8 ARG CG C -12.239 -4.949 -0.888 1.00 . B B . 308 ARG CG 1 1 6 5425 2 2 8 ARG CZ C -9.205 -6.600 -1.810 1.00 . B B . 308 ARG CZ 1 1 6 5426 2 2 8 ARG H H -14.453 -2.924 0.457 1.00 . B B . 308 ARG H 1 1 6 5427 2 2 8 ARG HA H -14.793 -4.468 -2.022 1.00 . B B . 308 ARG HA 1 1 6 5428 2 2 8 ARG HB2 H -13.672 -5.473 0.580 1.00 . B B . 308 ARG HB2 1 1 6 5429 2 2 8 ARG HB3 H -13.823 -6.353 -0.927 1.00 . B B . 308 ARG HB3 1 1 6 5430 2 2 8 ARG HD2 H -11.117 -6.103 0.481 1.00 . B B . 308 ARG HD2 1 1 6 5431 2 2 8 ARG HD3 H -11.612 -6.956 -0.985 1.00 . B B . 308 ARG HD3 1 1 6 5432 2 2 8 ARG HE H -9.750 -4.751 -1.175 1.00 . B B . 308 ARG HE 1 1 6 5433 2 2 8 ARG HG2 H -12.106 -4.607 -1.903 1.00 . B B . 308 ARG HG2 1 1 6 5434 2 2 8 ARG HG3 H -11.987 -4.114 -0.253 1.00 . B B . 308 ARG HG3 1 1 6 5435 2 2 8 ARG HH11 H -10.338 -8.237 -1.295 1.00 . B B . 308 ARG HH11 1 1 6 5436 2 2 8 ARG HH12 H -8.980 -8.609 -2.211 1.00 . B B . 308 ARG HH12 1 1 6 5437 2 2 8 ARG HH21 H -7.880 -5.240 -2.508 1.00 . B B . 308 ARG HH21 1 1 6 5438 2 2 8 ARG HH22 H -7.540 -6.867 -2.954 1.00 . B B . 308 ARG HH22 1 1 6 5439 2 2 8 ARG N N -14.451 -3.111 -0.512 1.00 . B B . 308 ARG N 1 1 6 5440 2 2 8 ARG NE N -9.971 -5.707 -1.203 1.00 . B B . 308 ARG NE 1 1 6 5441 2 2 8 ARG NH1 N -9.526 -7.884 -1.767 1.00 . B B . 308 ARG NH1 1 1 6 5442 2 2 8 ARG NH2 N -8.122 -6.208 -2.464 1.00 . B B . 308 ARG NH2 1 1 6 5443 2 2 8 ARG O O -16.362 -4.599 0.791 1.00 . B B . 308 ARG O 1 1 6 5444 2 2 9 LYS C C -17.774 -7.432 0.284 1.00 . B B . 309 LYS C 1 1 6 5445 2 2 9 LYS CA C -18.040 -6.219 -0.604 1.00 . B B . 309 LYS CA 1 1 6 5446 2 2 9 LYS CB C -19.005 -6.576 -1.730 1.00 . B B . 309 LYS CB 1 1 6 5447 2 2 9 LYS CD C -20.464 -5.794 -3.614 1.00 . B B . 309 LYS CD 1 1 6 5448 2 2 9 LYS CE C -20.969 -4.587 -4.382 1.00 . B B . 309 LYS CE 1 1 6 5449 2 2 9 LYS CG C -19.478 -5.381 -2.540 1.00 . B B . 309 LYS CG 1 1 6 5450 2 2 9 LYS H H -16.526 -5.838 -2.043 1.00 . B B . 309 LYS H 1 1 6 5451 2 2 9 LYS HA H -18.488 -5.453 0.012 1.00 . B B . 309 LYS HA 1 1 6 5452 2 2 9 LYS HB2 H -18.527 -7.271 -2.406 1.00 . B B . 309 LYS HB2 1 1 6 5453 2 2 9 LYS HB3 H -19.877 -7.052 -1.308 1.00 . B B . 309 LYS HB3 1 1 6 5454 2 2 9 LYS HD2 H -19.986 -6.482 -4.297 1.00 . B B . 309 LYS HD2 1 1 6 5455 2 2 9 LYS HD3 H -21.297 -6.297 -3.145 1.00 . B B . 309 LYS HD3 1 1 6 5456 2 2 9 LYS HE2 H -21.470 -3.927 -3.690 1.00 . B B . 309 LYS HE2 1 1 6 5457 2 2 9 LYS HE3 H -20.132 -4.073 -4.831 1.00 . B B . 309 LYS HE3 1 1 6 5458 2 2 9 LYS HG2 H -19.969 -4.677 -1.881 1.00 . B B . 309 LYS HG2 1 1 6 5459 2 2 9 LYS HG3 H -18.619 -4.918 -3.000 1.00 . B B . 309 LYS HG3 1 1 6 5460 2 2 9 LYS HZ1 H -22.211 -4.115 -5.965 1.00 . B B . 309 LYS HZ1 1 1 6 5461 2 2 9 LYS HZ2 H -22.784 -5.402 -5.034 1.00 . B B . 309 LYS HZ2 1 1 6 5462 2 2 9 LYS HZ3 H -21.491 -5.621 -6.102 1.00 . B B . 309 LYS HZ3 1 1 6 5463 2 2 9 LYS N N -16.801 -5.659 -1.121 1.00 . B B . 309 LYS N 1 1 6 5464 2 2 9 LYS NZ N -21.928 -4.960 -5.431 1.00 . B B . 309 LYS NZ 1 1 6 5465 3 3 1 ZN ZN ZN 9.238 0.227 -5.362 1.00 . C A . 53 ZN ZN 1 1 6 5466 4 3 1 ZN ZN ZN 0.747 -5.794 1.443 1.00 . D A . 54 ZN ZN 1 1 7 5467 1 1 1 SER C C -5.188 -8.531 -1.224 1.00 . A A . 1 SER C 1 1 7 5468 1 1 1 SER CA C -6.695 -8.487 -1.577 1.00 . A A . 1 SER CA 1 1 7 5469 1 1 1 SER CB C -7.163 -9.816 -2.248 1.00 . A A . 1 SER CB 1 1 7 5470 1 1 1 SER HA H -7.236 -8.354 -0.650 1.00 . A A . 1 SER HA 1 1 7 5471 1 1 1 SER HB2 H -6.901 -10.653 -1.619 1.00 . A A . 1 SER HB2 1 1 7 5472 1 1 1 SER HB3 H -8.236 -9.793 -2.369 1.00 . A A . 1 SER HB3 1 1 7 5473 1 1 1 SER HG H -7.183 -9.745 -4.232 1.00 . A A . 1 SER HG 1 1 7 5474 1 1 1 SER N N -7.022 -7.318 -2.440 1.00 . A A . 1 SER N 1 1 7 5475 1 1 1 SER O O -4.778 -8.157 -0.096 1.00 . A A . 1 SER O 1 1 7 5476 1 1 1 SER OG O -6.560 -10.007 -3.539 1.00 . A A . 1 SER OG 1 1 7 5477 1 1 2 VAL C C -2.248 -7.978 -2.803 1.00 . A A . 2 VAL C 1 1 7 5478 1 1 2 VAL CA C -2.947 -9.086 -2.011 1.00 . A A . 2 VAL CA 1 1 7 5479 1 1 2 VAL CB C -2.429 -10.458 -2.544 1.00 . A A . 2 VAL CB 1 1 7 5480 1 1 2 VAL CG1 C -0.970 -10.711 -2.131 1.00 . A A . 2 VAL CG1 1 1 7 5481 1 1 2 VAL CG2 C -3.337 -11.615 -2.139 1.00 . A A . 2 VAL CG2 1 1 7 5482 1 1 2 VAL H H -4.777 -9.135 -3.065 1.00 . A A . 2 VAL H 1 1 7 5483 1 1 2 VAL HA H -2.760 -9.001 -0.949 1.00 . A A . 2 VAL HA 1 1 7 5484 1 1 2 VAL HB H -2.430 -10.385 -3.625 1.00 . A A . 2 VAL HB 1 1 7 5485 1 1 2 VAL HG11 H -0.632 -11.663 -2.504 1.00 . A A . 2 VAL HG11 1 1 7 5486 1 1 2 VAL HG12 H -0.866 -10.683 -1.056 1.00 . A A . 2 VAL HG12 1 1 7 5487 1 1 2 VAL HG13 H -0.347 -9.932 -2.541 1.00 . A A . 2 VAL HG13 1 1 7 5488 1 1 2 VAL HG21 H -3.386 -11.691 -1.065 1.00 . A A . 2 VAL HG21 1 1 7 5489 1 1 2 VAL HG22 H -2.933 -12.535 -2.533 1.00 . A A . 2 VAL HG22 1 1 7 5490 1 1 2 VAL HG23 H -4.336 -11.469 -2.523 1.00 . A A . 2 VAL HG23 1 1 7 5491 1 1 2 VAL N N -4.377 -8.937 -2.186 1.00 . A A . 2 VAL N 1 1 7 5492 1 1 2 VAL O O -2.699 -7.601 -3.876 1.00 . A A . 2 VAL O 1 1 7 5493 1 1 3 CYS C C 0.949 -6.961 -3.155 1.00 . A A . 3 CYS C 1 1 7 5494 1 1 3 CYS CA C -0.448 -6.403 -2.900 1.00 . A A . 3 CYS CA 1 1 7 5495 1 1 3 CYS CB C -0.318 -5.247 -1.964 1.00 . A A . 3 CYS CB 1 1 7 5496 1 1 3 CYS H H -0.821 -7.818 -1.432 1.00 . A A . 3 CYS H 1 1 7 5497 1 1 3 CYS HA H -0.930 -6.107 -3.821 1.00 . A A . 3 CYS HA 1 1 7 5498 1 1 3 CYS HB2 H -0.170 -4.348 -2.544 1.00 . A A . 3 CYS HB2 1 1 7 5499 1 1 3 CYS HB3 H -1.210 -5.161 -1.362 1.00 . A A . 3 CYS HB3 1 1 7 5500 1 1 3 CYS N N -1.188 -7.462 -2.264 1.00 . A A . 3 CYS N 1 1 7 5501 1 1 3 CYS O O 1.217 -8.095 -2.728 1.00 . A A . 3 CYS O 1 1 7 5502 1 1 3 CYS SG S 1.065 -5.445 -0.853 1.00 . A A . 3 CYS SG 1 1 7 5503 1 1 4 ALA C C 4.218 -6.286 -3.060 1.00 . A A . 4 ALA C 1 1 7 5504 1 1 4 ALA CA C 3.142 -6.837 -4.007 1.00 . A A . 4 ALA CA 1 1 7 5505 1 1 4 ALA CB C 3.592 -6.655 -5.426 1.00 . A A . 4 ALA CB 1 1 7 5506 1 1 4 ALA H H 1.532 -5.321 -4.019 1.00 . A A . 4 ALA H 1 1 7 5507 1 1 4 ALA HA H 3.039 -7.897 -3.831 1.00 . A A . 4 ALA HA 1 1 7 5508 1 1 4 ALA HB1 H 4.510 -7.203 -5.579 1.00 . A A . 4 ALA HB1 1 1 7 5509 1 1 4 ALA HB2 H 3.775 -5.595 -5.526 1.00 . A A . 4 ALA HB2 1 1 7 5510 1 1 4 ALA HB3 H 2.819 -6.972 -6.110 1.00 . A A . 4 ALA HB3 1 1 7 5511 1 1 4 ALA N N 1.844 -6.228 -3.812 1.00 . A A . 4 ALA N 1 1 7 5512 1 1 4 ALA O O 5.136 -5.553 -3.463 1.00 . A A . 4 ALA O 1 1 7 5513 1 1 5 ALA C C 5.655 -7.889 -0.426 1.00 . A A . 5 ALA C 1 1 7 5514 1 1 5 ALA CA C 5.159 -6.502 -0.835 1.00 . A A . 5 ALA CA 1 1 7 5515 1 1 5 ALA CB C 4.719 -5.728 0.405 1.00 . A A . 5 ALA CB 1 1 7 5516 1 1 5 ALA H H 3.134 -6.484 -1.502 1.00 . A A . 5 ALA H 1 1 7 5517 1 1 5 ALA HA H 5.920 -5.918 -1.336 1.00 . A A . 5 ALA HA 1 1 7 5518 1 1 5 ALA HB1 H 5.557 -5.551 1.065 1.00 . A A . 5 ALA HB1 1 1 7 5519 1 1 5 ALA HB2 H 3.967 -6.296 0.936 1.00 . A A . 5 ALA HB2 1 1 7 5520 1 1 5 ALA HB3 H 4.290 -4.785 0.107 1.00 . A A . 5 ALA HB3 1 1 7 5521 1 1 5 ALA N N 4.055 -6.594 -1.783 1.00 . A A . 5 ALA N 1 1 7 5522 1 1 5 ALA O O 4.859 -8.818 -0.313 1.00 . A A . 5 ALA O 1 1 7 5523 1 1 6 GLN C C 6.970 -9.907 1.428 1.00 . A A . 6 GLN C 1 1 7 5524 1 1 6 GLN CA C 7.630 -9.283 0.213 1.00 . A A . 6 GLN CA 1 1 7 5525 1 1 6 GLN CB C 9.114 -9.060 0.527 1.00 . A A . 6 GLN CB 1 1 7 5526 1 1 6 GLN CD C 11.421 -8.421 -0.256 1.00 . A A . 6 GLN CD 1 1 7 5527 1 1 6 GLN CG C 9.962 -8.620 -0.652 1.00 . A A . 6 GLN CG 1 1 7 5528 1 1 6 GLN H H 7.542 -7.257 -0.454 1.00 . A A . 6 GLN H 1 1 7 5529 1 1 6 GLN HA H 7.570 -9.996 -0.593 1.00 . A A . 6 GLN HA 1 1 7 5530 1 1 6 GLN HB2 H 9.202 -8.299 1.290 1.00 . A A . 6 GLN HB2 1 1 7 5531 1 1 6 GLN HB3 H 9.528 -9.979 0.912 1.00 . A A . 6 GLN HB3 1 1 7 5532 1 1 6 GLN HE21 H 12.042 -8.968 -2.058 1.00 . A A . 6 GLN HE21 1 1 7 5533 1 1 6 GLN HE22 H 13.268 -8.536 -0.923 1.00 . A A . 6 GLN HE22 1 1 7 5534 1 1 6 GLN HG2 H 9.898 -9.382 -1.416 1.00 . A A . 6 GLN HG2 1 1 7 5535 1 1 6 GLN HG3 H 9.574 -7.690 -1.046 1.00 . A A . 6 GLN HG3 1 1 7 5536 1 1 6 GLN N N 6.979 -8.020 -0.224 1.00 . A A . 6 GLN N 1 1 7 5537 1 1 6 GLN NE2 N 12.328 -8.669 -1.170 1.00 . A A . 6 GLN NE2 1 1 7 5538 1 1 6 GLN O O 6.649 -11.084 1.431 1.00 . A A . 6 GLN O 1 1 7 5539 1 1 6 GLN OE1 O 11.724 -8.066 0.887 1.00 . A A . 6 GLN OE1 1 1 7 5540 1 1 7 ASN C C 4.799 -9.084 3.838 1.00 . A A . 7 ASN C 1 1 7 5541 1 1 7 ASN CA C 6.177 -9.667 3.670 1.00 . A A . 7 ASN CA 1 1 7 5542 1 1 7 ASN CB C 7.062 -9.377 4.882 1.00 . A A . 7 ASN CB 1 1 7 5543 1 1 7 ASN CG C 6.570 -10.005 6.179 1.00 . A A . 7 ASN CG 1 1 7 5544 1 1 7 ASN H H 7.020 -8.187 2.398 1.00 . A A . 7 ASN H 1 1 7 5545 1 1 7 ASN HA H 6.085 -10.737 3.541 1.00 . A A . 7 ASN HA 1 1 7 5546 1 1 7 ASN HB2 H 8.043 -9.776 4.662 1.00 . A A . 7 ASN HB2 1 1 7 5547 1 1 7 ASN HB3 H 7.132 -8.304 5.005 1.00 . A A . 7 ASN HB3 1 1 7 5548 1 1 7 ASN HD21 H 5.567 -8.379 6.620 1.00 . A A . 7 ASN HD21 1 1 7 5549 1 1 7 ASN HD22 H 5.453 -9.622 7.790 1.00 . A A . 7 ASN HD22 1 1 7 5550 1 1 7 ASN N N 6.774 -9.135 2.457 1.00 . A A . 7 ASN N 1 1 7 5551 1 1 7 ASN ND2 N 5.786 -9.281 6.934 1.00 . A A . 7 ASN ND2 1 1 7 5552 1 1 7 ASN O O 4.586 -8.143 4.600 1.00 . A A . 7 ASN O 1 1 7 5553 1 1 7 ASN OD1 O 6.909 -11.142 6.491 1.00 . A A . 7 ASN OD1 1 1 7 5554 1 1 8 CYS C C 1.581 -9.942 3.837 1.00 . A A . 8 CYS C 1 1 7 5555 1 1 8 CYS CA C 2.574 -9.046 3.060 1.00 . A A . 8 CYS CA 1 1 7 5556 1 1 8 CYS CB C 2.055 -8.718 1.662 1.00 . A A . 8 CYS CB 1 1 7 5557 1 1 8 CYS H H 4.064 -10.268 2.393 1.00 . A A . 8 CYS H 1 1 7 5558 1 1 8 CYS HA H 2.635 -8.120 3.601 1.00 . A A . 8 CYS HA 1 1 7 5559 1 1 8 CYS HB2 H 2.681 -8.013 1.138 1.00 . A A . 8 CYS HB2 1 1 7 5560 1 1 8 CYS HB3 H 2.028 -9.638 1.096 1.00 . A A . 8 CYS HB3 1 1 7 5561 1 1 8 CYS N N 3.896 -9.541 3.027 1.00 . A A . 8 CYS N 1 1 7 5562 1 1 8 CYS O O 1.749 -11.167 3.952 1.00 . A A . 8 CYS O 1 1 7 5563 1 1 8 CYS SG S 0.387 -8.084 1.681 1.00 . A A . 8 CYS SG 1 1 7 5564 1 1 9 GLN C C -1.828 -9.522 4.122 1.00 . A A . 9 GLN C 1 1 7 5565 1 1 9 GLN CA C -0.593 -9.926 4.925 1.00 . A A . 9 GLN CA 1 1 7 5566 1 1 9 GLN CB C -0.765 -9.631 6.419 1.00 . A A . 9 GLN CB 1 1 7 5567 1 1 9 GLN CD C 0.115 -10.003 8.763 1.00 . A A . 9 GLN CD 1 1 7 5568 1 1 9 GLN CG C 0.359 -10.185 7.274 1.00 . A A . 9 GLN CG 1 1 7 5569 1 1 9 GLN H H 0.744 -8.338 4.216 1.00 . A A . 9 GLN H 1 1 7 5570 1 1 9 GLN HA H -0.459 -10.987 4.774 1.00 . A A . 9 GLN HA 1 1 7 5571 1 1 9 GLN HB2 H -0.823 -8.562 6.569 1.00 . A A . 9 GLN HB2 1 1 7 5572 1 1 9 GLN HB3 H -1.690 -10.083 6.747 1.00 . A A . 9 GLN HB3 1 1 7 5573 1 1 9 GLN HE21 H 1.116 -11.652 9.132 1.00 . A A . 9 GLN HE21 1 1 7 5574 1 1 9 GLN HE22 H 0.474 -10.820 10.509 1.00 . A A . 9 GLN HE22 1 1 7 5575 1 1 9 GLN HG2 H 0.462 -11.241 7.070 1.00 . A A . 9 GLN HG2 1 1 7 5576 1 1 9 GLN HG3 H 1.270 -9.669 7.011 1.00 . A A . 9 GLN HG3 1 1 7 5577 1 1 9 GLN N N 0.565 -9.288 4.348 1.00 . A A . 9 GLN N 1 1 7 5578 1 1 9 GLN NE2 N 0.617 -10.914 9.546 1.00 . A A . 9 GLN NE2 1 1 7 5579 1 1 9 GLN O O -1.929 -8.380 3.637 1.00 . A A . 9 GLN O 1 1 7 5580 1 1 9 GLN OE1 O -0.534 -9.055 9.194 1.00 . A A . 9 GLN OE1 1 1 7 5581 1 1 10 ARG C C -5.117 -9.971 4.087 1.00 . A A . 10 ARG C 1 1 7 5582 1 1 10 ARG CA C -3.934 -10.283 3.166 1.00 . A A . 10 ARG CA 1 1 7 5583 1 1 10 ARG CB C -4.198 -11.595 2.405 1.00 . A A . 10 ARG CB 1 1 7 5584 1 1 10 ARG CD C -3.275 -13.444 0.962 1.00 . A A . 10 ARG CD 1 1 7 5585 1 1 10 ARG CG C -3.030 -12.053 1.542 1.00 . A A . 10 ARG CG 1 1 7 5586 1 1 10 ARG CZ C -1.391 -14.960 0.302 1.00 . A A . 10 ARG CZ 1 1 7 5587 1 1 10 ARG H H -2.700 -11.299 4.427 1.00 . A A . 10 ARG H 1 1 7 5588 1 1 10 ARG HA H -3.782 -9.489 2.456 1.00 . A A . 10 ARG HA 1 1 7 5589 1 1 10 ARG HB2 H -4.407 -12.368 3.126 1.00 . A A . 10 ARG HB2 1 1 7 5590 1 1 10 ARG HB3 H -5.057 -11.457 1.769 1.00 . A A . 10 ARG HB3 1 1 7 5591 1 1 10 ARG HD2 H -3.378 -14.142 1.780 1.00 . A A . 10 ARG HD2 1 1 7 5592 1 1 10 ARG HD3 H -4.194 -13.406 0.398 1.00 . A A . 10 ARG HD3 1 1 7 5593 1 1 10 ARG HE H -2.085 -13.381 -0.763 1.00 . A A . 10 ARG HE 1 1 7 5594 1 1 10 ARG HG2 H -2.865 -11.345 0.744 1.00 . A A . 10 ARG HG2 1 1 7 5595 1 1 10 ARG HG3 H -2.146 -12.089 2.164 1.00 . A A . 10 ARG HG3 1 1 7 5596 1 1 10 ARG HH11 H -2.018 -15.300 2.244 1.00 . A A . 10 ARG HH11 1 1 7 5597 1 1 10 ARG HH12 H -0.860 -16.392 1.672 1.00 . A A . 10 ARG HH12 1 1 7 5598 1 1 10 ARG HH21 H -0.416 -14.937 -1.526 1.00 . A A . 10 ARG HH21 1 1 7 5599 1 1 10 ARG HH22 H 0.055 -16.171 -0.463 1.00 . A A . 10 ARG HH22 1 1 7 5600 1 1 10 ARG N N -2.742 -10.448 3.966 1.00 . A A . 10 ARG N 1 1 7 5601 1 1 10 ARG NE N -2.178 -13.890 0.072 1.00 . A A . 10 ARG NE 1 1 7 5602 1 1 10 ARG NH1 N -1.428 -15.585 1.481 1.00 . A A . 10 ARG NH1 1 1 7 5603 1 1 10 ARG NH2 N -0.533 -15.372 -0.627 1.00 . A A . 10 ARG NH2 1 1 7 5604 1 1 10 ARG O O -5.687 -10.872 4.697 1.00 . A A . 10 ARG O 1 1 7 5605 1 1 11 PRO C C -7.949 -8.616 4.645 1.00 . A A . 11 PRO C 1 1 7 5606 1 1 11 PRO CA C -6.536 -8.271 5.152 1.00 . A A . 11 PRO CA 1 1 7 5607 1 1 11 PRO CB C -6.337 -6.755 5.251 1.00 . A A . 11 PRO CB 1 1 7 5608 1 1 11 PRO CD C -4.857 -7.562 3.517 1.00 . A A . 11 PRO CD 1 1 7 5609 1 1 11 PRO CG C -5.643 -6.367 3.975 1.00 . A A . 11 PRO CG 1 1 7 5610 1 1 11 PRO HA H -6.398 -8.722 6.122 1.00 . A A . 11 PRO HA 1 1 7 5611 1 1 11 PRO HB2 H -7.293 -6.264 5.342 1.00 . A A . 11 PRO HB2 1 1 7 5612 1 1 11 PRO HB3 H -5.720 -6.517 6.104 1.00 . A A . 11 PRO HB3 1 1 7 5613 1 1 11 PRO HD2 H -4.888 -7.708 2.442 1.00 . A A . 11 PRO HD2 1 1 7 5614 1 1 11 PRO HD3 H -3.826 -7.454 3.823 1.00 . A A . 11 PRO HD3 1 1 7 5615 1 1 11 PRO HG2 H -6.373 -6.107 3.225 1.00 . A A . 11 PRO HG2 1 1 7 5616 1 1 11 PRO HG3 H -4.990 -5.522 4.140 1.00 . A A . 11 PRO HG3 1 1 7 5617 1 1 11 PRO N N -5.472 -8.692 4.228 1.00 . A A . 11 PRO N 1 1 7 5618 1 1 11 PRO O O -8.719 -9.272 5.341 1.00 . A A . 11 PRO O 1 1 7 5619 1 1 12 CYS C C -10.764 -7.781 3.532 1.00 . A A . 12 CYS C 1 1 7 5620 1 1 12 CYS CA C -9.558 -8.374 2.763 1.00 . A A . 12 CYS CA 1 1 7 5621 1 1 12 CYS CB C -9.753 -9.877 2.495 1.00 . A A . 12 CYS CB 1 1 7 5622 1 1 12 CYS H H -7.601 -7.589 2.981 1.00 . A A . 12 CYS H 1 1 7 5623 1 1 12 CYS HA H -9.472 -7.855 1.816 1.00 . A A . 12 CYS HA 1 1 7 5624 1 1 12 CYS HB2 H -9.788 -10.400 3.439 1.00 . A A . 12 CYS HB2 1 1 7 5625 1 1 12 CYS HB3 H -10.688 -10.026 1.973 1.00 . A A . 12 CYS HB3 1 1 7 5626 1 1 12 CYS HG H -8.345 -11.868 2.012 1.00 . A A . 12 CYS HG 1 1 7 5627 1 1 12 CYS N N -8.270 -8.129 3.444 1.00 . A A . 12 CYS N 1 1 7 5628 1 1 12 CYS O O -11.909 -8.189 3.324 1.00 . A A . 12 CYS O 1 1 7 5629 1 1 12 CYS SG S -8.428 -10.643 1.513 1.00 . A A . 12 CYS SG 1 1 7 5630 1 1 13 LYS C C -12.344 -5.202 4.136 1.00 . A A . 13 LYS C 1 1 7 5631 1 1 13 LYS CA C -11.566 -6.094 5.105 1.00 . A A . 13 LYS CA 1 1 7 5632 1 1 13 LYS CB C -11.002 -5.243 6.254 1.00 . A A . 13 LYS CB 1 1 7 5633 1 1 13 LYS CD C -9.781 -5.074 8.385 1.00 . A A . 13 LYS CD 1 1 7 5634 1 1 13 LYS CE C -9.160 -5.832 9.505 1.00 . A A . 13 LYS CE 1 1 7 5635 1 1 13 LYS CG C -10.245 -6.011 7.296 1.00 . A A . 13 LYS CG 1 1 7 5636 1 1 13 LYS H H -9.562 -6.552 4.513 1.00 . A A . 13 LYS H 1 1 7 5637 1 1 13 LYS HA H -12.240 -6.839 5.502 1.00 . A A . 13 LYS HA 1 1 7 5638 1 1 13 LYS HB2 H -10.342 -4.482 5.872 1.00 . A A . 13 LYS HB2 1 1 7 5639 1 1 13 LYS HB3 H -11.809 -4.746 6.773 1.00 . A A . 13 LYS HB3 1 1 7 5640 1 1 13 LYS HD2 H -9.051 -4.393 7.975 1.00 . A A . 13 LYS HD2 1 1 7 5641 1 1 13 LYS HD3 H -10.620 -4.507 8.762 1.00 . A A . 13 LYS HD3 1 1 7 5642 1 1 13 LYS HE2 H -9.942 -6.500 9.831 1.00 . A A . 13 LYS HE2 1 1 7 5643 1 1 13 LYS HE3 H -8.315 -6.390 9.137 1.00 . A A . 13 LYS HE3 1 1 7 5644 1 1 13 LYS HG2 H -10.888 -6.768 7.723 1.00 . A A . 13 LYS HG2 1 1 7 5645 1 1 13 LYS HG3 H -9.383 -6.471 6.836 1.00 . A A . 13 LYS HG3 1 1 7 5646 1 1 13 LYS HZ1 H -8.278 -5.478 11.366 1.00 . A A . 13 LYS HZ1 1 1 7 5647 1 1 13 LYS HZ2 H -9.615 -4.507 11.031 1.00 . A A . 13 LYS HZ2 1 1 7 5648 1 1 13 LYS HZ3 H -8.121 -4.183 10.314 1.00 . A A . 13 LYS HZ3 1 1 7 5649 1 1 13 LYS N N -10.498 -6.793 4.381 1.00 . A A . 13 LYS N 1 1 7 5650 1 1 13 LYS NZ N -8.765 -4.943 10.622 1.00 . A A . 13 LYS NZ 1 1 7 5651 1 1 13 LYS O O -12.039 -5.173 2.941 1.00 . A A . 13 LYS O 1 1 7 5652 1 1 14 ASP C C -13.325 -2.622 3.077 1.00 . A A . 14 ASP C 1 1 7 5653 1 1 14 ASP CA C -14.182 -3.587 3.841 1.00 . A A . 14 ASP CA 1 1 7 5654 1 1 14 ASP CB C -15.186 -2.811 4.696 1.00 . A A . 14 ASP CB 1 1 7 5655 1 1 14 ASP CG C -16.124 -3.703 5.461 1.00 . A A . 14 ASP CG 1 1 7 5656 1 1 14 ASP H H -13.500 -4.517 5.626 1.00 . A A . 14 ASP H 1 1 7 5657 1 1 14 ASP HA H -14.722 -4.205 3.139 1.00 . A A . 14 ASP HA 1 1 7 5658 1 1 14 ASP HB2 H -14.648 -2.199 5.403 1.00 . A A . 14 ASP HB2 1 1 7 5659 1 1 14 ASP HB3 H -15.768 -2.166 4.056 1.00 . A A . 14 ASP HB3 1 1 7 5660 1 1 14 ASP N N -13.339 -4.470 4.662 1.00 . A A . 14 ASP N 1 1 7 5661 1 1 14 ASP O O -13.303 -2.634 1.881 1.00 . A A . 14 ASP O 1 1 7 5662 1 1 14 ASP OD1 O -17.124 -4.175 4.888 1.00 . A A . 14 ASP OD1 1 1 7 5663 1 1 14 ASP OD2 O -15.878 -3.935 6.666 1.00 . A A . 14 ASP OD2 1 1 7 5664 1 1 15 LYS C C -10.331 -1.010 3.712 1.00 . A A . 15 LYS C 1 1 7 5665 1 1 15 LYS CA C -11.713 -0.891 3.117 1.00 . A A . 15 LYS CA 1 1 7 5666 1 1 15 LYS CB C -12.254 0.545 3.086 1.00 . A A . 15 LYS CB 1 1 7 5667 1 1 15 LYS CD C -13.972 2.141 2.087 1.00 . A A . 15 LYS CD 1 1 7 5668 1 1 15 LYS CE C -14.765 2.439 3.351 1.00 . A A . 15 LYS CE 1 1 7 5669 1 1 15 LYS CG C -13.413 0.729 2.087 1.00 . A A . 15 LYS CG 1 1 7 5670 1 1 15 LYS H H -12.672 -1.746 4.742 1.00 . A A . 15 LYS H 1 1 7 5671 1 1 15 LYS HA H -11.640 -1.254 2.104 1.00 . A A . 15 LYS HA 1 1 7 5672 1 1 15 LYS HB2 H -12.608 0.789 4.077 1.00 . A A . 15 LYS HB2 1 1 7 5673 1 1 15 LYS HB3 H -11.461 1.230 2.817 1.00 . A A . 15 LYS HB3 1 1 7 5674 1 1 15 LYS HD2 H -13.153 2.844 2.012 1.00 . A A . 15 LYS HD2 1 1 7 5675 1 1 15 LYS HD3 H -14.619 2.256 1.225 1.00 . A A . 15 LYS HD3 1 1 7 5676 1 1 15 LYS HE2 H -14.167 2.075 4.169 1.00 . A A . 15 LYS HE2 1 1 7 5677 1 1 15 LYS HE3 H -14.933 3.498 3.440 1.00 . A A . 15 LYS HE3 1 1 7 5678 1 1 15 LYS HG2 H -13.051 0.505 1.093 1.00 . A A . 15 LYS HG2 1 1 7 5679 1 1 15 LYS HG3 H -14.197 0.034 2.345 1.00 . A A . 15 LYS HG3 1 1 7 5680 1 1 15 LYS HZ1 H -15.954 0.674 3.373 1.00 . A A . 15 LYS HZ1 1 1 7 5681 1 1 15 LYS HZ2 H -16.688 2.000 2.628 1.00 . A A . 15 LYS HZ2 1 1 7 5682 1 1 15 LYS HZ3 H -16.552 1.921 4.298 1.00 . A A . 15 LYS HZ3 1 1 7 5683 1 1 15 LYS N N -12.617 -1.792 3.764 1.00 . A A . 15 LYS N 1 1 7 5684 1 1 15 LYS NZ N -16.060 1.708 3.405 1.00 . A A . 15 LYS NZ 1 1 7 5685 1 1 15 LYS O O -10.140 -0.849 4.920 1.00 . A A . 15 LYS O 1 1 7 5686 1 1 16 VAL C C -7.089 -0.610 2.528 1.00 . A A . 16 VAL C 1 1 7 5687 1 1 16 VAL CA C -8.013 -1.559 3.265 1.00 . A A . 16 VAL CA 1 1 7 5688 1 1 16 VAL CB C -7.583 -3.045 3.044 1.00 . A A . 16 VAL CB 1 1 7 5689 1 1 16 VAL CG1 C -8.445 -3.962 3.885 1.00 . A A . 16 VAL CG1 1 1 7 5690 1 1 16 VAL CG2 C -7.662 -3.452 1.570 1.00 . A A . 16 VAL CG2 1 1 7 5691 1 1 16 VAL H H -9.597 -1.360 1.904 1.00 . A A . 16 VAL H 1 1 7 5692 1 1 16 VAL HA H -7.957 -1.337 4.321 1.00 . A A . 16 VAL HA 1 1 7 5693 1 1 16 VAL HB H -6.560 -3.143 3.381 1.00 . A A . 16 VAL HB 1 1 7 5694 1 1 16 VAL HG11 H -8.321 -3.717 4.930 1.00 . A A . 16 VAL HG11 1 1 7 5695 1 1 16 VAL HG12 H -8.174 -4.991 3.707 1.00 . A A . 16 VAL HG12 1 1 7 5696 1 1 16 VAL HG13 H -9.478 -3.808 3.606 1.00 . A A . 16 VAL HG13 1 1 7 5697 1 1 16 VAL HG21 H -7.434 -4.503 1.462 1.00 . A A . 16 VAL HG21 1 1 7 5698 1 1 16 VAL HG22 H -6.961 -2.856 1.003 1.00 . A A . 16 VAL HG22 1 1 7 5699 1 1 16 VAL HG23 H -8.664 -3.274 1.208 1.00 . A A . 16 VAL HG23 1 1 7 5700 1 1 16 VAL N N -9.381 -1.327 2.859 1.00 . A A . 16 VAL N 1 1 7 5701 1 1 16 VAL O O -7.387 -0.225 1.396 1.00 . A A . 16 VAL O 1 1 7 5702 1 1 17 ASP C C -4.093 0.226 1.640 1.00 . A A . 17 ASP C 1 1 7 5703 1 1 17 ASP CA C -5.082 0.770 2.654 1.00 . A A . 17 ASP CA 1 1 7 5704 1 1 17 ASP CB C -4.266 1.365 3.801 1.00 . A A . 17 ASP CB 1 1 7 5705 1 1 17 ASP CG C -5.095 1.851 4.962 1.00 . A A . 17 ASP CG 1 1 7 5706 1 1 17 ASP H H -5.729 -0.617 4.024 1.00 . A A . 17 ASP H 1 1 7 5707 1 1 17 ASP HA H -5.657 1.567 2.212 1.00 . A A . 17 ASP HA 1 1 7 5708 1 1 17 ASP HB2 H -3.558 0.635 4.160 1.00 . A A . 17 ASP HB2 1 1 7 5709 1 1 17 ASP HB3 H -3.716 2.206 3.407 1.00 . A A . 17 ASP HB3 1 1 7 5710 1 1 17 ASP N N -5.998 -0.253 3.158 1.00 . A A . 17 ASP N 1 1 7 5711 1 1 17 ASP O O -3.617 -0.930 1.752 1.00 . A A . 17 ASP O 1 1 7 5712 1 1 17 ASP OD1 O -5.355 1.043 5.887 1.00 . A A . 17 ASP OD1 1 1 7 5713 1 1 17 ASP OD2 O -5.471 3.031 4.980 1.00 . A A . 17 ASP OD2 1 1 7 5714 1 1 18 TRP C C -1.895 1.987 -0.607 1.00 . A A . 18 TRP C 1 1 7 5715 1 1 18 TRP CA C -2.788 0.757 -0.373 1.00 . A A . 18 TRP CA 1 1 7 5716 1 1 18 TRP CB C -3.479 0.440 -1.699 1.00 . A A . 18 TRP CB 1 1 7 5717 1 1 18 TRP CD1 C -5.705 -0.686 -1.141 1.00 . A A . 18 TRP CD1 1 1 7 5718 1 1 18 TRP CD2 C -4.376 -1.911 -2.431 1.00 . A A . 18 TRP CD2 1 1 7 5719 1 1 18 TRP CE2 C -5.543 -2.637 -2.187 1.00 . A A . 18 TRP CE2 1 1 7 5720 1 1 18 TRP CE3 C -3.400 -2.472 -3.226 1.00 . A A . 18 TRP CE3 1 1 7 5721 1 1 18 TRP CG C -4.481 -0.681 -1.716 1.00 . A A . 18 TRP CG 1 1 7 5722 1 1 18 TRP CH2 C -4.777 -4.413 -3.520 1.00 . A A . 18 TRP CH2 1 1 7 5723 1 1 18 TRP CZ2 C -5.763 -3.896 -2.731 1.00 . A A . 18 TRP CZ2 1 1 7 5724 1 1 18 TRP CZ3 C -3.612 -3.713 -3.770 1.00 . A A . 18 TRP CZ3 1 1 7 5725 1 1 18 TRP H H -4.206 1.943 0.696 1.00 . A A . 18 TRP H 1 1 7 5726 1 1 18 TRP HA H -2.189 -0.085 -0.060 1.00 . A A . 18 TRP HA 1 1 7 5727 1 1 18 TRP HB2 H -4.022 1.332 -1.953 1.00 . A A . 18 TRP HB2 1 1 7 5728 1 1 18 TRP HB3 H -2.740 0.270 -2.465 1.00 . A A . 18 TRP HB3 1 1 7 5729 1 1 18 TRP HD1 H -6.086 0.133 -0.548 1.00 . A A . 18 TRP HD1 1 1 7 5730 1 1 18 TRP HE1 H -7.224 -2.160 -1.070 1.00 . A A . 18 TRP HE1 1 1 7 5731 1 1 18 TRP HE3 H -2.498 -1.928 -3.425 1.00 . A A . 18 TRP HE3 1 1 7 5732 1 1 18 TRP HH2 H -4.882 -5.377 -3.991 1.00 . A A . 18 TRP HH2 1 1 7 5733 1 1 18 TRP HZ2 H -6.666 -4.456 -2.538 1.00 . A A . 18 TRP HZ2 1 1 7 5734 1 1 18 TRP HZ3 H -2.860 -4.165 -4.399 1.00 . A A . 18 TRP HZ3 1 1 7 5735 1 1 18 TRP N N -3.755 1.069 0.674 1.00 . A A . 18 TRP N 1 1 7 5736 1 1 18 TRP NE1 N -6.337 -1.879 -1.388 1.00 . A A . 18 TRP NE1 1 1 7 5737 1 1 18 TRP O O -2.314 3.128 -0.307 1.00 . A A . 18 TRP O 1 1 7 5738 1 1 19 VAL C C 0.925 2.388 -2.740 1.00 . A A . 19 VAL C 1 1 7 5739 1 1 19 VAL CA C 0.274 2.803 -1.451 1.00 . A A . 19 VAL CA 1 1 7 5740 1 1 19 VAL CB C 1.459 2.822 -0.462 1.00 . A A . 19 VAL CB 1 1 7 5741 1 1 19 VAL CG1 C 2.177 4.155 -0.384 1.00 . A A . 19 VAL CG1 1 1 7 5742 1 1 19 VAL CG2 C 1.212 2.158 0.871 1.00 . A A . 19 VAL CG2 1 1 7 5743 1 1 19 VAL H H -0.375 0.864 -1.381 1.00 . A A . 19 VAL H 1 1 7 5744 1 1 19 VAL HA H -0.193 3.775 -1.505 1.00 . A A . 19 VAL HA 1 1 7 5745 1 1 19 VAL HB H 2.174 2.219 -1.001 1.00 . A A . 19 VAL HB 1 1 7 5746 1 1 19 VAL HG11 H 1.484 4.919 -0.063 1.00 . A A . 19 VAL HG11 1 1 7 5747 1 1 19 VAL HG12 H 2.576 4.419 -1.354 1.00 . A A . 19 VAL HG12 1 1 7 5748 1 1 19 VAL HG13 H 2.984 4.093 0.330 1.00 . A A . 19 VAL HG13 1 1 7 5749 1 1 19 VAL HG21 H 0.308 2.534 1.320 1.00 . A A . 19 VAL HG21 1 1 7 5750 1 1 19 VAL HG22 H 2.067 2.352 1.497 1.00 . A A . 19 VAL HG22 1 1 7 5751 1 1 19 VAL HG23 H 1.197 1.084 0.692 1.00 . A A . 19 VAL HG23 1 1 7 5752 1 1 19 VAL N N -0.698 1.763 -1.141 1.00 . A A . 19 VAL N 1 1 7 5753 1 1 19 VAL O O 1.138 1.198 -2.941 1.00 . A A . 19 VAL O 1 1 7 5754 1 1 20 GLN C C 3.383 3.462 -4.675 1.00 . A A . 20 GLN C 1 1 7 5755 1 1 20 GLN CA C 1.966 2.940 -4.788 1.00 . A A . 20 GLN CA 1 1 7 5756 1 1 20 GLN CB C 1.321 3.485 -6.049 1.00 . A A . 20 GLN CB 1 1 7 5757 1 1 20 GLN CD C 0.931 3.010 -8.527 1.00 . A A . 20 GLN CD 1 1 7 5758 1 1 20 GLN CG C 1.479 2.522 -7.217 1.00 . A A . 20 GLN CG 1 1 7 5759 1 1 20 GLN H H 0.875 4.196 -3.392 1.00 . A A . 20 GLN H 1 1 7 5760 1 1 20 GLN HA H 1.993 1.861 -4.827 1.00 . A A . 20 GLN HA 1 1 7 5761 1 1 20 GLN HB2 H 0.283 3.701 -5.845 1.00 . A A . 20 GLN HB2 1 1 7 5762 1 1 20 GLN HB3 H 1.812 4.413 -6.307 1.00 . A A . 20 GLN HB3 1 1 7 5763 1 1 20 GLN HE21 H 2.135 1.769 -9.475 1.00 . A A . 20 GLN HE21 1 1 7 5764 1 1 20 GLN HE22 H 1.105 2.715 -10.471 1.00 . A A . 20 GLN HE22 1 1 7 5765 1 1 20 GLN HG2 H 2.529 2.325 -7.365 1.00 . A A . 20 GLN HG2 1 1 7 5766 1 1 20 GLN HG3 H 0.987 1.595 -6.957 1.00 . A A . 20 GLN HG3 1 1 7 5767 1 1 20 GLN N N 1.226 3.302 -3.601 1.00 . A A . 20 GLN N 1 1 7 5768 1 1 20 GLN NE2 N 1.441 2.454 -9.592 1.00 . A A . 20 GLN NE2 1 1 7 5769 1 1 20 GLN O O 3.589 4.569 -4.199 1.00 . A A . 20 GLN O 1 1 7 5770 1 1 20 GLN OE1 O 0.014 3.820 -8.580 1.00 . A A . 20 GLN OE1 1 1 7 5771 1 1 21 CYS C C 6.020 4.011 -6.262 1.00 . A A . 21 CYS C 1 1 7 5772 1 1 21 CYS CA C 5.767 3.081 -5.074 1.00 . A A . 21 CYS CA 1 1 7 5773 1 1 21 CYS CB C 6.627 1.856 -5.264 1.00 . A A . 21 CYS CB 1 1 7 5774 1 1 21 CYS H H 4.232 1.711 -5.340 1.00 . A A . 21 CYS H 1 1 7 5775 1 1 21 CYS HA H 6.030 3.556 -4.142 1.00 . A A . 21 CYS HA 1 1 7 5776 1 1 21 CYS HB2 H 6.308 1.045 -4.639 1.00 . A A . 21 CYS HB2 1 1 7 5777 1 1 21 CYS HB3 H 6.512 1.538 -6.289 1.00 . A A . 21 CYS HB3 1 1 7 5778 1 1 21 CYS N N 4.359 2.651 -5.058 1.00 . A A . 21 CYS N 1 1 7 5779 1 1 21 CYS O O 5.505 3.778 -7.365 1.00 . A A . 21 CYS O 1 1 7 5780 1 1 21 CYS SG S 8.390 1.995 -4.963 1.00 . A A . 21 CYS SG 1 1 7 5781 1 1 22 ASP C C 8.689 5.815 -7.438 1.00 . A A . 22 ASP C 1 1 7 5782 1 1 22 ASP CA C 7.199 5.978 -7.099 1.00 . A A . 22 ASP CA 1 1 7 5783 1 1 22 ASP CB C 6.965 7.431 -6.617 1.00 . A A . 22 ASP CB 1 1 7 5784 1 1 22 ASP CG C 5.542 7.717 -6.188 1.00 . A A . 22 ASP CG 1 1 7 5785 1 1 22 ASP H H 7.165 5.176 -5.127 1.00 . A A . 22 ASP H 1 1 7 5786 1 1 22 ASP HA H 6.606 5.799 -7.981 1.00 . A A . 22 ASP HA 1 1 7 5787 1 1 22 ASP HB2 H 7.610 7.637 -5.777 1.00 . A A . 22 ASP HB2 1 1 7 5788 1 1 22 ASP HB3 H 7.224 8.117 -7.409 1.00 . A A . 22 ASP HB3 1 1 7 5789 1 1 22 ASP N N 6.824 5.023 -6.043 1.00 . A A . 22 ASP N 1 1 7 5790 1 1 22 ASP O O 9.330 6.734 -7.965 1.00 . A A . 22 ASP O 1 1 7 5791 1 1 22 ASP OD1 O 4.663 7.921 -7.079 1.00 . A A . 22 ASP OD1 1 1 7 5792 1 1 22 ASP OD2 O 5.291 7.771 -4.967 1.00 . A A . 22 ASP OD2 1 1 7 5793 1 1 23 GLY C C 11.111 3.304 -8.250 1.00 . A A . 23 GLY C 1 1 7 5794 1 1 23 GLY CA C 10.696 4.452 -7.332 1.00 . A A . 23 GLY CA 1 1 7 5795 1 1 23 GLY H H 8.698 3.901 -6.820 1.00 . A A . 23 GLY H 1 1 7 5796 1 1 23 GLY HA2 H 11.103 5.360 -7.743 1.00 . A A . 23 GLY HA2 1 1 7 5797 1 1 23 GLY HA3 H 11.130 4.293 -6.355 1.00 . A A . 23 GLY HA3 1 1 7 5798 1 1 23 GLY N N 9.254 4.631 -7.151 1.00 . A A . 23 GLY N 1 1 7 5799 1 1 23 GLY O O 12.291 2.936 -8.275 1.00 . A A . 23 GLY O 1 1 7 5800 1 1 24 GLY C C 9.626 0.521 -10.064 1.00 . A A . 24 GLY C 1 1 7 5801 1 1 24 GLY CA C 10.593 1.674 -9.913 1.00 . A A . 24 GLY CA 1 1 7 5802 1 1 24 GLY H H 9.278 3.091 -8.923 1.00 . A A . 24 GLY H 1 1 7 5803 1 1 24 GLY HA2 H 10.768 2.110 -10.886 1.00 . A A . 24 GLY HA2 1 1 7 5804 1 1 24 GLY HA3 H 11.536 1.286 -9.555 1.00 . A A . 24 GLY HA3 1 1 7 5805 1 1 24 GLY N N 10.184 2.734 -8.991 1.00 . A A . 24 GLY N 1 1 7 5806 1 1 24 GLY O O 9.209 0.213 -11.166 1.00 . A A . 24 GLY O 1 1 7 5807 1 1 25 CYS C C 6.965 -0.898 -9.400 1.00 . A A . 25 CYS C 1 1 7 5808 1 1 25 CYS CA C 8.394 -1.317 -9.045 1.00 . A A . 25 CYS CA 1 1 7 5809 1 1 25 CYS CB C 8.411 -2.164 -7.756 1.00 . A A . 25 CYS CB 1 1 7 5810 1 1 25 CYS H H 9.670 0.152 -8.109 1.00 . A A . 25 CYS H 1 1 7 5811 1 1 25 CYS HA H 8.768 -1.919 -9.863 1.00 . A A . 25 CYS HA 1 1 7 5812 1 1 25 CYS HB2 H 7.872 -3.080 -7.936 1.00 . A A . 25 CYS HB2 1 1 7 5813 1 1 25 CYS HB3 H 9.433 -2.410 -7.508 1.00 . A A . 25 CYS HB3 1 1 7 5814 1 1 25 CYS N N 9.284 -0.143 -8.959 1.00 . A A . 25 CYS N 1 1 7 5815 1 1 25 CYS O O 6.194 -1.694 -9.925 1.00 . A A . 25 CYS O 1 1 7 5816 1 1 25 CYS SG S 7.662 -1.391 -6.309 1.00 . A A . 25 CYS SG 1 1 7 5817 1 1 26 ASP C C 4.160 0.159 -9.083 1.00 . A A . 26 ASP C 1 1 7 5818 1 1 26 ASP CA C 5.354 1.030 -9.438 1.00 . A A . 26 ASP CA 1 1 7 5819 1 1 26 ASP CB C 5.297 1.500 -10.897 1.00 . A A . 26 ASP CB 1 1 7 5820 1 1 26 ASP CG C 6.239 2.666 -11.158 1.00 . A A . 26 ASP CG 1 1 7 5821 1 1 26 ASP H H 7.384 1.047 -9.010 1.00 . A A . 26 ASP H 1 1 7 5822 1 1 26 ASP HA H 5.280 1.914 -8.823 1.00 . A A . 26 ASP HA 1 1 7 5823 1 1 26 ASP HB2 H 5.583 0.681 -11.540 1.00 . A A . 26 ASP HB2 1 1 7 5824 1 1 26 ASP HB3 H 4.291 1.805 -11.146 1.00 . A A . 26 ASP HB3 1 1 7 5825 1 1 26 ASP N N 6.672 0.402 -9.180 1.00 . A A . 26 ASP N 1 1 7 5826 1 1 26 ASP O O 3.144 0.184 -9.777 1.00 . A A . 26 ASP O 1 1 7 5827 1 1 26 ASP OD1 O 7.357 2.697 -10.579 1.00 . A A . 26 ASP OD1 1 1 7 5828 1 1 26 ASP OD2 O 5.890 3.546 -11.958 1.00 . A A . 26 ASP OD2 1 1 7 5829 1 1 27 GLU C C 2.590 -0.933 -6.290 1.00 . A A . 27 GLU C 1 1 7 5830 1 1 27 GLU CA C 3.178 -1.372 -7.577 1.00 . A A . 27 GLU CA 1 1 7 5831 1 1 27 GLU CB C 3.571 -2.830 -7.557 1.00 . A A . 27 GLU CB 1 1 7 5832 1 1 27 GLU CD C 4.035 -4.883 -8.943 1.00 . A A . 27 GLU CD 1 1 7 5833 1 1 27 GLU CG C 3.749 -3.410 -8.946 1.00 . A A . 27 GLU CG 1 1 7 5834 1 1 27 GLU H H 5.017 -0.420 -7.397 1.00 . A A . 27 GLU H 1 1 7 5835 1 1 27 GLU HA H 2.410 -1.248 -8.327 1.00 . A A . 27 GLU HA 1 1 7 5836 1 1 27 GLU HB2 H 4.500 -2.935 -7.010 1.00 . A A . 27 GLU HB2 1 1 7 5837 1 1 27 GLU HB3 H 2.799 -3.371 -7.043 1.00 . A A . 27 GLU HB3 1 1 7 5838 1 1 27 GLU HG2 H 2.846 -3.229 -9.509 1.00 . A A . 27 GLU HG2 1 1 7 5839 1 1 27 GLU HG3 H 4.570 -2.901 -9.426 1.00 . A A . 27 GLU HG3 1 1 7 5840 1 1 27 GLU N N 4.237 -0.531 -7.978 1.00 . A A . 27 GLU N 1 1 7 5841 1 1 27 GLU O O 3.144 -0.057 -5.599 1.00 . A A . 27 GLU O 1 1 7 5842 1 1 27 GLU OE1 O 3.076 -5.686 -8.969 1.00 . A A . 27 GLU OE1 1 1 7 5843 1 1 27 GLU OE2 O 5.214 -5.259 -8.966 1.00 . A A . 27 GLU OE2 1 1 7 5844 1 1 28 TRP C C 1.013 -2.112 -3.658 1.00 . A A . 28 TRP C 1 1 7 5845 1 1 28 TRP CA C 0.749 -1.169 -4.808 1.00 . A A . 28 TRP CA 1 1 7 5846 1 1 28 TRP CB C -0.739 -1.153 -5.087 1.00 . A A . 28 TRP CB 1 1 7 5847 1 1 28 TRP CD1 C -1.321 -0.251 -7.432 1.00 . A A . 28 TRP CD1 1 1 7 5848 1 1 28 TRP CD2 C -1.684 1.176 -5.762 1.00 . A A . 28 TRP CD2 1 1 7 5849 1 1 28 TRP CE2 C -2.062 1.780 -6.965 1.00 . A A . 28 TRP CE2 1 1 7 5850 1 1 28 TRP CE3 C -1.824 1.892 -4.580 1.00 . A A . 28 TRP CE3 1 1 7 5851 1 1 28 TRP CG C -1.215 -0.129 -6.074 1.00 . A A . 28 TRP CG 1 1 7 5852 1 1 28 TRP CH2 C -2.702 3.734 -5.857 1.00 . A A . 28 TRP CH2 1 1 7 5853 1 1 28 TRP CZ2 C -2.570 3.056 -7.021 1.00 . A A . 28 TRP CZ2 1 1 7 5854 1 1 28 TRP CZ3 C -2.331 3.166 -4.640 1.00 . A A . 28 TRP CZ3 1 1 7 5855 1 1 28 TRP H H 1.156 -2.265 -6.517 1.00 . A A . 28 TRP H 1 1 7 5856 1 1 28 TRP HA H 1.038 -0.167 -4.526 1.00 . A A . 28 TRP HA 1 1 7 5857 1 1 28 TRP HB2 H -1.095 -2.123 -5.400 1.00 . A A . 28 TRP HB2 1 1 7 5858 1 1 28 TRP HB3 H -1.178 -0.887 -4.139 1.00 . A A . 28 TRP HB3 1 1 7 5859 1 1 28 TRP HD1 H -1.050 -1.109 -8.022 1.00 . A A . 28 TRP HD1 1 1 7 5860 1 1 28 TRP HE1 H -2.018 1.076 -8.910 1.00 . A A . 28 TRP HE1 1 1 7 5861 1 1 28 TRP HE3 H -1.536 1.454 -3.636 1.00 . A A . 28 TRP HE3 1 1 7 5862 1 1 28 TRP HH2 H -3.109 4.730 -5.860 1.00 . A A . 28 TRP HH2 1 1 7 5863 1 1 28 TRP HZ2 H -2.856 3.496 -7.962 1.00 . A A . 28 TRP HZ2 1 1 7 5864 1 1 28 TRP HZ3 H -2.451 3.738 -3.734 1.00 . A A . 28 TRP HZ3 1 1 7 5865 1 1 28 TRP N N 1.485 -1.524 -5.965 1.00 . A A . 28 TRP N 1 1 7 5866 1 1 28 TRP NE1 N -1.834 0.896 -7.959 1.00 . A A . 28 TRP NE1 1 1 7 5867 1 1 28 TRP O O 1.123 -3.333 -3.843 1.00 . A A . 28 TRP O 1 1 7 5868 1 1 29 PHE C C 0.399 -1.725 -0.180 1.00 . A A . 29 PHE C 1 1 7 5869 1 1 29 PHE CA C 1.327 -2.228 -1.246 1.00 . A A . 29 PHE CA 1 1 7 5870 1 1 29 PHE CB C 2.778 -2.151 -0.769 1.00 . A A . 29 PHE CB 1 1 7 5871 1 1 29 PHE CD1 C 3.687 0.160 -0.850 1.00 . A A . 29 PHE CD1 1 1 7 5872 1 1 29 PHE CD2 C 4.360 -1.359 -2.542 1.00 . A A . 29 PHE CD2 1 1 7 5873 1 1 29 PHE CE1 C 4.467 1.128 -1.411 1.00 . A A . 29 PHE CE1 1 1 7 5874 1 1 29 PHE CE2 C 5.128 -0.405 -3.099 1.00 . A A . 29 PHE CE2 1 1 7 5875 1 1 29 PHE CG C 3.614 -1.087 -1.400 1.00 . A A . 29 PHE CG 1 1 7 5876 1 1 29 PHE CZ C 5.189 0.847 -2.531 1.00 . A A . 29 PHE CZ 1 1 7 5877 1 1 29 PHE H H 1.138 -0.546 -2.517 1.00 . A A . 29 PHE H 1 1 7 5878 1 1 29 PHE HA H 1.083 -3.264 -1.428 1.00 . A A . 29 PHE HA 1 1 7 5879 1 1 29 PHE HB2 H 2.739 -1.918 0.284 1.00 . A A . 29 PHE HB2 1 1 7 5880 1 1 29 PHE HB3 H 3.268 -3.093 -0.873 1.00 . A A . 29 PHE HB3 1 1 7 5881 1 1 29 PHE HD1 H 3.113 0.398 0.030 1.00 . A A . 29 PHE HD1 1 1 7 5882 1 1 29 PHE HD2 H 4.342 -2.319 -3.037 1.00 . A A . 29 PHE HD2 1 1 7 5883 1 1 29 PHE HE1 H 4.510 2.107 -0.961 1.00 . A A . 29 PHE HE1 1 1 7 5884 1 1 29 PHE HE2 H 5.693 -0.641 -3.988 1.00 . A A . 29 PHE HE2 1 1 7 5885 1 1 29 PHE HZ H 5.808 1.602 -2.993 1.00 . A A . 29 PHE HZ 1 1 7 5886 1 1 29 PHE N N 1.132 -1.533 -2.498 1.00 . A A . 29 PHE N 1 1 7 5887 1 1 29 PHE O O -0.283 -0.767 -0.382 1.00 . A A . 29 PHE O 1 1 7 5888 1 1 30 HIS C C 0.461 -1.216 2.969 1.00 . A A . 30 HIS C 1 1 7 5889 1 1 30 HIS CA C -0.451 -1.951 2.047 1.00 . A A . 30 HIS CA 1 1 7 5890 1 1 30 HIS CB C -1.071 -3.106 2.818 1.00 . A A . 30 HIS CB 1 1 7 5891 1 1 30 HIS CD2 C -3.340 -4.040 1.936 1.00 . A A . 30 HIS CD2 1 1 7 5892 1 1 30 HIS CE1 C -2.576 -5.914 1.069 1.00 . A A . 30 HIS CE1 1 1 7 5893 1 1 30 HIS CG C -1.982 -4.022 2.066 1.00 . A A . 30 HIS CG 1 1 7 5894 1 1 30 HIS H H 0.995 -3.157 1.024 1.00 . A A . 30 HIS H 1 1 7 5895 1 1 30 HIS HA H -1.216 -1.290 1.670 1.00 . A A . 30 HIS HA 1 1 7 5896 1 1 30 HIS HB2 H -0.270 -3.719 3.200 1.00 . A A . 30 HIS HB2 1 1 7 5897 1 1 30 HIS HB3 H -1.614 -2.707 3.663 1.00 . A A . 30 HIS HB3 1 1 7 5898 1 1 30 HIS HD2 H -4.026 -3.269 2.258 1.00 . A A . 30 HIS HD2 1 1 7 5899 1 1 30 HIS HE1 H -2.526 -6.935 0.701 1.00 . A A . 30 HIS HE1 1 1 7 5900 1 1 30 HIS HE2 H -4.481 -5.350 0.757 1.00 . A A . 30 HIS HE2 1 1 7 5901 1 1 30 HIS N N 0.367 -2.402 0.955 1.00 . A A . 30 HIS N 1 1 7 5902 1 1 30 HIS ND1 N -1.541 -5.193 1.497 1.00 . A A . 30 HIS ND1 1 1 7 5903 1 1 30 HIS NE2 N -3.681 -5.232 1.312 1.00 . A A . 30 HIS NE2 1 1 7 5904 1 1 30 HIS O O 1.603 -1.601 3.113 1.00 . A A . 30 HIS O 1 1 7 5905 1 1 31 GLN C C 1.463 -0.175 5.579 1.00 . A A . 31 GLN C 1 1 7 5906 1 1 31 GLN CA C 0.788 0.646 4.469 1.00 . A A . 31 GLN CA 1 1 7 5907 1 1 31 GLN CB C -0.065 1.750 5.061 1.00 . A A . 31 GLN CB 1 1 7 5908 1 1 31 GLN CD C -0.498 3.968 3.889 1.00 . A A . 31 GLN CD 1 1 7 5909 1 1 31 GLN CG C -0.848 2.506 4.008 1.00 . A A . 31 GLN CG 1 1 7 5910 1 1 31 GLN H H -0.970 0.032 3.458 1.00 . A A . 31 GLN H 1 1 7 5911 1 1 31 GLN HA H 1.549 1.089 3.845 1.00 . A A . 31 GLN HA 1 1 7 5912 1 1 31 GLN HB2 H -0.748 1.321 5.776 1.00 . A A . 31 GLN HB2 1 1 7 5913 1 1 31 GLN HB3 H 0.574 2.458 5.563 1.00 . A A . 31 GLN HB3 1 1 7 5914 1 1 31 GLN HE21 H -1.033 3.942 1.989 1.00 . A A . 31 GLN HE21 1 1 7 5915 1 1 31 GLN HE22 H -0.467 5.458 2.591 1.00 . A A . 31 GLN HE22 1 1 7 5916 1 1 31 GLN HG2 H -0.549 2.033 3.084 1.00 . A A . 31 GLN HG2 1 1 7 5917 1 1 31 GLN HG3 H -1.910 2.382 4.165 1.00 . A A . 31 GLN HG3 1 1 7 5918 1 1 31 GLN N N -0.028 -0.196 3.596 1.00 . A A . 31 GLN N 1 1 7 5919 1 1 31 GLN NE2 N -0.681 4.509 2.708 1.00 . A A . 31 GLN NE2 1 1 7 5920 1 1 31 GLN O O 2.652 -0.064 5.803 1.00 . A A . 31 GLN O 1 1 7 5921 1 1 31 GLN OE1 O -0.089 4.608 4.845 1.00 . A A . 31 GLN OE1 1 1 7 5922 1 1 32 VAL C C 2.210 -2.959 6.871 1.00 . A A . 32 VAL C 1 1 7 5923 1 1 32 VAL CA C 1.209 -1.859 7.319 1.00 . A A . 32 VAL CA 1 1 7 5924 1 1 32 VAL CB C 0.044 -2.520 8.111 1.00 . A A . 32 VAL CB 1 1 7 5925 1 1 32 VAL CG1 C -0.860 -1.460 8.734 1.00 . A A . 32 VAL CG1 1 1 7 5926 1 1 32 VAL CG2 C -0.770 -3.446 7.206 1.00 . A A . 32 VAL CG2 1 1 7 5927 1 1 32 VAL H H -0.226 -1.204 5.950 1.00 . A A . 32 VAL H 1 1 7 5928 1 1 32 VAL HA H 1.728 -1.188 7.982 1.00 . A A . 32 VAL HA 1 1 7 5929 1 1 32 VAL HB H 0.477 -3.114 8.904 1.00 . A A . 32 VAL HB 1 1 7 5930 1 1 32 VAL HG11 H -0.289 -0.844 9.410 1.00 . A A . 32 VAL HG11 1 1 7 5931 1 1 32 VAL HG12 H -1.667 -1.929 9.281 1.00 . A A . 32 VAL HG12 1 1 7 5932 1 1 32 VAL HG13 H -1.266 -0.843 7.948 1.00 . A A . 32 VAL HG13 1 1 7 5933 1 1 32 VAL HG21 H -1.559 -3.919 7.771 1.00 . A A . 32 VAL HG21 1 1 7 5934 1 1 32 VAL HG22 H -0.103 -4.198 6.808 1.00 . A A . 32 VAL HG22 1 1 7 5935 1 1 32 VAL HG23 H -1.195 -2.873 6.393 1.00 . A A . 32 VAL HG23 1 1 7 5936 1 1 32 VAL N N 0.702 -1.047 6.204 1.00 . A A . 32 VAL N 1 1 7 5937 1 1 32 VAL O O 3.113 -3.312 7.626 1.00 . A A . 32 VAL O 1 1 7 5938 1 1 33 CYS C C 4.253 -4.171 4.692 1.00 . A A . 33 CYS C 1 1 7 5939 1 1 33 CYS CA C 2.871 -4.612 5.215 1.00 . A A . 33 CYS CA 1 1 7 5940 1 1 33 CYS CB C 2.113 -5.482 4.154 1.00 . A A . 33 CYS CB 1 1 7 5941 1 1 33 CYS H H 1.474 -3.061 4.976 1.00 . A A . 33 CYS H 1 1 7 5942 1 1 33 CYS HA H 3.038 -5.215 6.095 1.00 . A A . 33 CYS HA 1 1 7 5943 1 1 33 CYS HB2 H 2.718 -6.317 3.853 1.00 . A A . 33 CYS HB2 1 1 7 5944 1 1 33 CYS HB3 H 1.146 -5.801 4.508 1.00 . A A . 33 CYS HB3 1 1 7 5945 1 1 33 CYS N N 2.067 -3.469 5.639 1.00 . A A . 33 CYS N 1 1 7 5946 1 1 33 CYS O O 5.177 -4.972 4.625 1.00 . A A . 33 CYS O 1 1 7 5947 1 1 33 CYS SG S 1.774 -4.629 2.644 1.00 . A A . 33 CYS SG 1 1 7 5948 1 1 34 VAL C C 6.200 -1.300 4.709 1.00 . A A . 34 VAL C 1 1 7 5949 1 1 34 VAL CA C 5.589 -2.419 3.779 1.00 . A A . 34 VAL CA 1 1 7 5950 1 1 34 VAL CB C 5.310 -1.878 2.374 1.00 . A A . 34 VAL CB 1 1 7 5951 1 1 34 VAL CG1 C 4.518 -0.598 2.400 1.00 . A A . 34 VAL CG1 1 1 7 5952 1 1 34 VAL CG2 C 6.552 -1.751 1.608 1.00 . A A . 34 VAL CG2 1 1 7 5953 1 1 34 VAL H H 3.673 -2.241 4.356 1.00 . A A . 34 VAL H 1 1 7 5954 1 1 34 VAL HA H 6.278 -3.246 3.704 1.00 . A A . 34 VAL HA 1 1 7 5955 1 1 34 VAL HB H 4.684 -2.604 1.876 1.00 . A A . 34 VAL HB 1 1 7 5956 1 1 34 VAL HG11 H 4.417 -0.246 1.385 1.00 . A A . 34 VAL HG11 1 1 7 5957 1 1 34 VAL HG12 H 5.085 0.121 2.971 1.00 . A A . 34 VAL HG12 1 1 7 5958 1 1 34 VAL HG13 H 3.536 -0.737 2.836 1.00 . A A . 34 VAL HG13 1 1 7 5959 1 1 34 VAL HG21 H 7.185 -1.118 2.204 1.00 . A A . 34 VAL HG21 1 1 7 5960 1 1 34 VAL HG22 H 6.334 -1.336 0.638 1.00 . A A . 34 VAL HG22 1 1 7 5961 1 1 34 VAL HG23 H 6.929 -2.762 1.561 1.00 . A A . 34 VAL HG23 1 1 7 5962 1 1 34 VAL N N 4.383 -2.903 4.317 1.00 . A A . 34 VAL N 1 1 7 5963 1 1 34 VAL O O 7.181 -0.638 4.363 1.00 . A A . 34 VAL O 1 1 7 5964 1 1 35 GLY C C 5.916 1.294 6.413 1.00 . A A . 35 GLY C 1 1 7 5965 1 1 35 GLY CA C 6.093 -0.162 6.854 1.00 . A A . 35 GLY CA 1 1 7 5966 1 1 35 GLY H H 4.999 -1.854 6.178 1.00 . A A . 35 GLY H 1 1 7 5967 1 1 35 GLY HA2 H 5.553 -0.306 7.777 1.00 . A A . 35 GLY HA2 1 1 7 5968 1 1 35 GLY HA3 H 7.138 -0.337 7.060 1.00 . A A . 35 GLY HA3 1 1 7 5969 1 1 35 GLY N N 5.643 -1.174 5.905 1.00 . A A . 35 GLY N 1 1 7 5970 1 1 35 GLY O O 6.839 2.114 6.574 1.00 . A A . 35 GLY O 1 1 7 5971 1 1 36 VAL C C 3.753 3.626 6.750 1.00 . A A . 36 VAL C 1 1 7 5972 1 1 36 VAL CA C 4.446 3.008 5.555 1.00 . A A . 36 VAL CA 1 1 7 5973 1 1 36 VAL CB C 3.470 3.153 4.331 1.00 . A A . 36 VAL CB 1 1 7 5974 1 1 36 VAL CG1 C 3.077 4.553 4.102 1.00 . A A . 36 VAL CG1 1 1 7 5975 1 1 36 VAL CG2 C 4.065 2.710 3.077 1.00 . A A . 36 VAL CG2 1 1 7 5976 1 1 36 VAL H H 4.082 0.932 5.727 1.00 . A A . 36 VAL H 1 1 7 5977 1 1 36 VAL HA H 5.362 3.538 5.347 1.00 . A A . 36 VAL HA 1 1 7 5978 1 1 36 VAL HB H 2.591 2.554 4.511 1.00 . A A . 36 VAL HB 1 1 7 5979 1 1 36 VAL HG11 H 2.727 5.022 5.007 1.00 . A A . 36 VAL HG11 1 1 7 5980 1 1 36 VAL HG12 H 2.249 4.468 3.411 1.00 . A A . 36 VAL HG12 1 1 7 5981 1 1 36 VAL HG13 H 3.885 5.094 3.629 1.00 . A A . 36 VAL HG13 1 1 7 5982 1 1 36 VAL HG21 H 3.548 3.285 2.317 1.00 . A A . 36 VAL HG21 1 1 7 5983 1 1 36 VAL HG22 H 3.985 1.648 2.928 1.00 . A A . 36 VAL HG22 1 1 7 5984 1 1 36 VAL HG23 H 5.098 3.027 3.106 1.00 . A A . 36 VAL HG23 1 1 7 5985 1 1 36 VAL N N 4.762 1.626 5.879 1.00 . A A . 36 VAL N 1 1 7 5986 1 1 36 VAL O O 3.016 2.942 7.470 1.00 . A A . 36 VAL O 1 1 7 5987 1 1 37 SER C C 2.426 6.637 7.210 1.00 . A A . 37 SER C 1 1 7 5988 1 1 37 SER CA C 3.273 5.607 7.974 1.00 . A A . 37 SER CA 1 1 7 5989 1 1 37 SER CB C 4.292 6.308 8.868 1.00 . A A . 37 SER CB 1 1 7 5990 1 1 37 SER H H 4.542 5.548 6.525 1.00 . A A . 37 SER H 1 1 7 5991 1 1 37 SER HA H 2.653 4.938 8.550 1.00 . A A . 37 SER HA 1 1 7 5992 1 1 37 SER HB2 H 4.771 7.114 8.326 1.00 . A A . 37 SER HB2 1 1 7 5993 1 1 37 SER HB3 H 3.774 6.703 9.731 1.00 . A A . 37 SER HB3 1 1 7 5994 1 1 37 SER HG H 4.792 4.576 9.551 1.00 . A A . 37 SER HG 1 1 7 5995 1 1 37 SER N N 3.970 4.894 6.970 1.00 . A A . 37 SER N 1 1 7 5996 1 1 37 SER O O 2.890 7.129 6.152 1.00 . A A . 37 SER O 1 1 7 5997 1 1 37 SER OG O 5.273 5.379 9.318 1.00 . A A . 37 SER OG 1 1 7 5998 1 1 38 PRO C C 0.947 9.149 6.445 1.00 . A A . 38 PRO C 1 1 7 5999 1 1 38 PRO CA C 0.265 7.898 7.013 1.00 . A A . 38 PRO CA 1 1 7 6000 1 1 38 PRO CB C -0.700 8.308 8.123 1.00 . A A . 38 PRO CB 1 1 7 6001 1 1 38 PRO CD C 0.592 6.382 8.907 1.00 . A A . 38 PRO CD 1 1 7 6002 1 1 38 PRO CG C -0.642 7.219 9.162 1.00 . A A . 38 PRO CG 1 1 7 6003 1 1 38 PRO HA H -0.281 7.416 6.216 1.00 . A A . 38 PRO HA 1 1 7 6004 1 1 38 PRO HB2 H -0.376 9.256 8.529 1.00 . A A . 38 PRO HB2 1 1 7 6005 1 1 38 PRO HB3 H -1.692 8.411 7.712 1.00 . A A . 38 PRO HB3 1 1 7 6006 1 1 38 PRO HD2 H 1.273 6.443 9.743 1.00 . A A . 38 PRO HD2 1 1 7 6007 1 1 38 PRO HD3 H 0.309 5.354 8.741 1.00 . A A . 38 PRO HD3 1 1 7 6008 1 1 38 PRO HG2 H -0.564 7.662 10.145 1.00 . A A . 38 PRO HG2 1 1 7 6009 1 1 38 PRO HG3 H -1.530 6.610 9.101 1.00 . A A . 38 PRO HG3 1 1 7 6010 1 1 38 PRO N N 1.196 6.955 7.686 1.00 . A A . 38 PRO N 1 1 7 6011 1 1 38 PRO O O 0.699 9.545 5.293 1.00 . A A . 38 PRO O 1 1 7 6012 1 1 39 GLU C C 3.410 10.735 5.656 1.00 . A A . 39 GLU C 1 1 7 6013 1 1 39 GLU CA C 2.535 10.963 6.861 1.00 . A A . 39 GLU CA 1 1 7 6014 1 1 39 GLU CB C 3.406 11.445 8.004 1.00 . A A . 39 GLU CB 1 1 7 6015 1 1 39 GLU CD C 3.537 12.320 10.346 1.00 . A A . 39 GLU CD 1 1 7 6016 1 1 39 GLU CG C 2.637 11.848 9.222 1.00 . A A . 39 GLU CG 1 1 7 6017 1 1 39 GLU H H 1.959 9.354 8.133 1.00 . A A . 39 GLU H 1 1 7 6018 1 1 39 GLU HA H 1.809 11.730 6.641 1.00 . A A . 39 GLU HA 1 1 7 6019 1 1 39 GLU HB2 H 4.069 10.639 8.280 1.00 . A A . 39 GLU HB2 1 1 7 6020 1 1 39 GLU HB3 H 3.996 12.287 7.675 1.00 . A A . 39 GLU HB3 1 1 7 6021 1 1 39 GLU HG2 H 1.979 12.625 8.874 1.00 . A A . 39 GLU HG2 1 1 7 6022 1 1 39 GLU HG3 H 2.035 11.012 9.549 1.00 . A A . 39 GLU HG3 1 1 7 6023 1 1 39 GLU N N 1.817 9.751 7.247 1.00 . A A . 39 GLU N 1 1 7 6024 1 1 39 GLU O O 3.451 11.542 4.750 1.00 . A A . 39 GLU O 1 1 7 6025 1 1 39 GLU OE1 O 3.986 13.477 10.324 1.00 . A A . 39 GLU OE1 1 1 7 6026 1 1 39 GLU OE2 O 3.821 11.516 11.268 1.00 . A A . 39 GLU OE2 1 1 7 6027 1 1 40 MET C C 4.429 9.106 3.224 1.00 . A A . 40 MET C 1 1 7 6028 1 1 40 MET CA C 5.029 9.301 4.608 1.00 . A A . 40 MET CA 1 1 7 6029 1 1 40 MET CB C 5.856 8.061 4.992 1.00 . A A . 40 MET CB 1 1 7 6030 1 1 40 MET CE C 8.943 8.913 4.743 1.00 . A A . 40 MET CE 1 1 7 6031 1 1 40 MET CG C 6.696 8.221 6.247 1.00 . A A . 40 MET CG 1 1 7 6032 1 1 40 MET H H 3.695 8.942 6.266 1.00 . A A . 40 MET H 1 1 7 6033 1 1 40 MET HA H 5.704 10.143 4.561 1.00 . A A . 40 MET HA 1 1 7 6034 1 1 40 MET HB2 H 5.180 7.235 5.156 1.00 . A A . 40 MET HB2 1 1 7 6035 1 1 40 MET HB3 H 6.510 7.807 4.172 1.00 . A A . 40 MET HB3 1 1 7 6036 1 1 40 MET HE1 H 9.315 7.931 4.988 1.00 . A A . 40 MET HE1 1 1 7 6037 1 1 40 MET HE2 H 9.773 9.583 4.567 1.00 . A A . 40 MET HE2 1 1 7 6038 1 1 40 MET HE3 H 8.341 8.851 3.849 1.00 . A A . 40 MET HE3 1 1 7 6039 1 1 40 MET HG2 H 6.043 8.466 7.070 1.00 . A A . 40 MET HG2 1 1 7 6040 1 1 40 MET HG3 H 7.194 7.284 6.444 1.00 . A A . 40 MET HG3 1 1 7 6041 1 1 40 MET N N 4.026 9.607 5.626 1.00 . A A . 40 MET N 1 1 7 6042 1 1 40 MET O O 4.883 9.697 2.274 1.00 . A A . 40 MET O 1 1 7 6043 1 1 40 MET SD S 7.935 9.525 6.103 1.00 . A A . 40 MET SD 1 1 7 6044 1 1 41 ALA C C 1.947 9.043 1.248 1.00 . A A . 41 ALA C 1 1 7 6045 1 1 41 ALA CA C 2.802 7.945 1.837 1.00 . A A . 41 ALA CA 1 1 7 6046 1 1 41 ALA CB C 1.944 6.746 2.003 1.00 . A A . 41 ALA CB 1 1 7 6047 1 1 41 ALA H H 3.013 7.840 3.915 1.00 . A A . 41 ALA H 1 1 7 6048 1 1 41 ALA HA H 3.585 7.686 1.143 1.00 . A A . 41 ALA HA 1 1 7 6049 1 1 41 ALA HB1 H 1.280 7.022 2.810 1.00 . A A . 41 ALA HB1 1 1 7 6050 1 1 41 ALA HB2 H 2.519 5.841 2.178 1.00 . A A . 41 ALA HB2 1 1 7 6051 1 1 41 ALA HB3 H 1.350 6.631 1.112 1.00 . A A . 41 ALA HB3 1 1 7 6052 1 1 41 ALA N N 3.399 8.285 3.130 1.00 . A A . 41 ALA N 1 1 7 6053 1 1 41 ALA O O 1.931 9.224 0.050 1.00 . A A . 41 ALA O 1 1 7 6054 1 1 42 GLU C C 0.972 12.081 1.317 1.00 . A A . 42 GLU C 1 1 7 6055 1 1 42 GLU CA C 0.311 10.739 1.525 1.00 . A A . 42 GLU CA 1 1 7 6056 1 1 42 GLU CB C -0.942 10.888 2.393 1.00 . A A . 42 GLU CB 1 1 7 6057 1 1 42 GLU CD C -3.093 9.864 3.220 1.00 . A A . 42 GLU CD 1 1 7 6058 1 1 42 GLU CG C -1.804 9.632 2.470 1.00 . A A . 42 GLU CG 1 1 7 6059 1 1 42 GLU H H 1.300 9.710 3.044 1.00 . A A . 42 GLU H 1 1 7 6060 1 1 42 GLU HA H 0.007 10.355 0.561 1.00 . A A . 42 GLU HA 1 1 7 6061 1 1 42 GLU HB2 H -0.615 11.129 3.393 1.00 . A A . 42 GLU HB2 1 1 7 6062 1 1 42 GLU HB3 H -1.543 11.699 2.010 1.00 . A A . 42 GLU HB3 1 1 7 6063 1 1 42 GLU HG2 H -2.057 9.317 1.467 1.00 . A A . 42 GLU HG2 1 1 7 6064 1 1 42 GLU HG3 H -1.248 8.854 2.971 1.00 . A A . 42 GLU HG3 1 1 7 6065 1 1 42 GLU N N 1.227 9.767 2.070 1.00 . A A . 42 GLU N 1 1 7 6066 1 1 42 GLU O O 0.542 12.867 0.469 1.00 . A A . 42 GLU O 1 1 7 6067 1 1 42 GLU OE1 O -4.071 10.286 2.590 1.00 . A A . 42 GLU OE1 1 1 7 6068 1 1 42 GLU OE2 O -3.136 9.642 4.452 1.00 . A A . 42 GLU OE2 1 1 7 6069 1 1 43 ASN C C 3.654 13.773 0.867 1.00 . A A . 43 ASN C 1 1 7 6070 1 1 43 ASN CA C 2.642 13.660 1.975 1.00 . A A . 43 ASN CA 1 1 7 6071 1 1 43 ASN CB C 3.251 14.127 3.285 1.00 . A A . 43 ASN CB 1 1 7 6072 1 1 43 ASN CG C 2.225 14.506 4.348 1.00 . A A . 43 ASN CG 1 1 7 6073 1 1 43 ASN H H 2.233 11.668 2.751 1.00 . A A . 43 ASN H 1 1 7 6074 1 1 43 ASN HA H 1.852 14.352 1.730 1.00 . A A . 43 ASN HA 1 1 7 6075 1 1 43 ASN HB2 H 3.849 13.310 3.671 1.00 . A A . 43 ASN HB2 1 1 7 6076 1 1 43 ASN HB3 H 3.893 14.953 3.059 1.00 . A A . 43 ASN HB3 1 1 7 6077 1 1 43 ASN HD21 H 3.505 14.065 5.773 1.00 . A A . 43 ASN HD21 1 1 7 6078 1 1 43 ASN HD22 H 1.960 14.607 6.307 1.00 . A A . 43 ASN HD22 1 1 7 6079 1 1 43 ASN N N 1.994 12.358 2.088 1.00 . A A . 43 ASN N 1 1 7 6080 1 1 43 ASN ND2 N 2.597 14.385 5.593 1.00 . A A . 43 ASN ND2 1 1 7 6081 1 1 43 ASN O O 3.756 14.822 0.236 1.00 . A A . 43 ASN O 1 1 7 6082 1 1 43 ASN OD1 O 1.103 14.933 4.039 1.00 . A A . 43 ASN OD1 1 1 7 6083 1 1 44 GLU C C 5.508 11.476 -1.145 1.00 . A A . 44 GLU C 1 1 7 6084 1 1 44 GLU CA C 5.447 12.769 -0.366 1.00 . A A . 44 GLU CA 1 1 7 6085 1 1 44 GLU CB C 6.814 13.072 0.293 1.00 . A A . 44 GLU CB 1 1 7 6086 1 1 44 GLU CD C 8.246 14.740 1.564 1.00 . A A . 44 GLU CD 1 1 7 6087 1 1 44 GLU CG C 6.895 14.440 0.978 1.00 . A A . 44 GLU CG 1 1 7 6088 1 1 44 GLU H H 4.149 11.893 1.072 1.00 . A A . 44 GLU H 1 1 7 6089 1 1 44 GLU HA H 5.209 13.571 -1.045 1.00 . A A . 44 GLU HA 1 1 7 6090 1 1 44 GLU HB2 H 7.007 12.307 1.031 1.00 . A A . 44 GLU HB2 1 1 7 6091 1 1 44 GLU HB3 H 7.585 13.029 -0.465 1.00 . A A . 44 GLU HB3 1 1 7 6092 1 1 44 GLU HG2 H 6.655 15.206 0.256 1.00 . A A . 44 GLU HG2 1 1 7 6093 1 1 44 GLU HG3 H 6.157 14.465 1.765 1.00 . A A . 44 GLU HG3 1 1 7 6094 1 1 44 GLU N N 4.382 12.726 0.618 1.00 . A A . 44 GLU N 1 1 7 6095 1 1 44 GLU O O 4.900 10.483 -0.738 1.00 . A A . 44 GLU O 1 1 7 6096 1 1 44 GLU OE1 O 9.163 15.128 0.794 1.00 . A A . 44 GLU OE1 1 1 7 6097 1 1 44 GLU OE2 O 8.421 14.608 2.790 1.00 . A A . 44 GLU OE2 1 1 7 6098 1 1 45 ASP C C 7.061 9.244 -2.328 1.00 . A A . 45 ASP C 1 1 7 6099 1 1 45 ASP CA C 6.437 10.347 -3.140 1.00 . A A . 45 ASP CA 1 1 7 6100 1 1 45 ASP CB C 7.385 10.729 -4.298 1.00 . A A . 45 ASP CB 1 1 7 6101 1 1 45 ASP CG C 6.838 11.830 -5.207 1.00 . A A . 45 ASP CG 1 1 7 6102 1 1 45 ASP H H 6.680 12.321 -2.572 1.00 . A A . 45 ASP H 1 1 7 6103 1 1 45 ASP HA H 5.487 10.031 -3.544 1.00 . A A . 45 ASP HA 1 1 7 6104 1 1 45 ASP HB2 H 8.314 11.073 -3.870 1.00 . A A . 45 ASP HB2 1 1 7 6105 1 1 45 ASP HB3 H 7.570 9.844 -4.890 1.00 . A A . 45 ASP HB3 1 1 7 6106 1 1 45 ASP N N 6.233 11.507 -2.267 1.00 . A A . 45 ASP N 1 1 7 6107 1 1 45 ASP O O 8.038 9.482 -1.595 1.00 . A A . 45 ASP O 1 1 7 6108 1 1 45 ASP OD1 O 6.576 12.954 -4.709 1.00 . A A . 45 ASP OD1 1 1 7 6109 1 1 45 ASP OD2 O 6.656 11.590 -6.429 1.00 . A A . 45 ASP OD2 1 1 7 6110 1 1 46 TYR C C 7.759 5.890 -2.333 1.00 . A A . 46 TYR C 1 1 7 6111 1 1 46 TYR CA C 7.014 7.001 -1.596 1.00 . A A . 46 TYR CA 1 1 7 6112 1 1 46 TYR CB C 5.929 6.497 -0.632 1.00 . A A . 46 TYR CB 1 1 7 6113 1 1 46 TYR CD1 C 7.331 5.870 1.381 1.00 . A A . 46 TYR CD1 1 1 7 6114 1 1 46 TYR CD2 C 6.127 4.183 0.250 1.00 . A A . 46 TYR CD2 1 1 7 6115 1 1 46 TYR CE1 C 7.842 4.938 2.265 1.00 . A A . 46 TYR CE1 1 1 7 6116 1 1 46 TYR CE2 C 6.632 3.234 1.111 1.00 . A A . 46 TYR CE2 1 1 7 6117 1 1 46 TYR CG C 6.458 5.491 0.361 1.00 . A A . 46 TYR CG 1 1 7 6118 1 1 46 TYR CZ C 7.488 3.613 2.122 1.00 . A A . 46 TYR CZ 1 1 7 6119 1 1 46 TYR H H 5.896 7.895 -3.174 1.00 . A A . 46 TYR H 1 1 7 6120 1 1 46 TYR HA H 7.783 7.448 -0.990 1.00 . A A . 46 TYR HA 1 1 7 6121 1 1 46 TYR HB2 H 5.554 7.337 -0.069 1.00 . A A . 46 TYR HB2 1 1 7 6122 1 1 46 TYR HB3 H 5.132 6.035 -1.196 1.00 . A A . 46 TYR HB3 1 1 7 6123 1 1 46 TYR HD1 H 7.595 6.911 1.472 1.00 . A A . 46 TYR HD1 1 1 7 6124 1 1 46 TYR HD2 H 5.440 3.962 -0.547 1.00 . A A . 46 TYR HD2 1 1 7 6125 1 1 46 TYR HE1 H 8.519 5.243 3.052 1.00 . A A . 46 TYR HE1 1 1 7 6126 1 1 46 TYR HE2 H 6.347 2.200 0.990 1.00 . A A . 46 TYR HE2 1 1 7 6127 1 1 46 TYR HH H 7.930 2.964 3.897 1.00 . A A . 46 TYR HH 1 1 7 6128 1 1 46 TYR N N 6.551 8.052 -2.451 1.00 . A A . 46 TYR N 1 1 7 6129 1 1 46 TYR O O 7.379 5.431 -3.402 1.00 . A A . 46 TYR O 1 1 7 6130 1 1 46 TYR OH O 7.988 2.661 2.988 1.00 . A A . 46 TYR OH 1 1 7 6131 1 1 47 ILE C C 9.743 3.288 -1.381 1.00 . A A . 47 ILE C 1 1 7 6132 1 1 47 ILE CA C 9.736 4.509 -2.283 1.00 . A A . 47 ILE CA 1 1 7 6133 1 1 47 ILE CB C 11.189 5.078 -2.363 1.00 . A A . 47 ILE CB 1 1 7 6134 1 1 47 ILE CD1 C 10.755 6.500 -4.481 1.00 . A A . 47 ILE CD1 1 1 7 6135 1 1 47 ILE CG1 C 11.212 6.468 -3.043 1.00 . A A . 47 ILE CG1 1 1 7 6136 1 1 47 ILE CG2 C 12.111 4.112 -3.105 1.00 . A A . 47 ILE CG2 1 1 7 6137 1 1 47 ILE H H 8.860 5.965 -0.868 1.00 . A A . 47 ILE H 1 1 7 6138 1 1 47 ILE HA H 9.411 4.220 -3.273 1.00 . A A . 47 ILE HA 1 1 7 6139 1 1 47 ILE HB H 11.577 5.178 -1.358 1.00 . A A . 47 ILE HB 1 1 7 6140 1 1 47 ILE HD11 H 9.744 6.124 -4.541 1.00 . A A . 47 ILE HD11 1 1 7 6141 1 1 47 ILE HD12 H 11.410 5.878 -5.072 1.00 . A A . 47 ILE HD12 1 1 7 6142 1 1 47 ILE HD13 H 10.782 7.520 -4.837 1.00 . A A . 47 ILE HD13 1 1 7 6143 1 1 47 ILE HG12 H 10.546 7.131 -2.513 1.00 . A A . 47 ILE HG12 1 1 7 6144 1 1 47 ILE HG13 H 12.219 6.855 -2.996 1.00 . A A . 47 ILE HG13 1 1 7 6145 1 1 47 ILE HG21 H 13.110 4.522 -3.147 1.00 . A A . 47 ILE HG21 1 1 7 6146 1 1 47 ILE HG22 H 11.742 3.969 -4.111 1.00 . A A . 47 ILE HG22 1 1 7 6147 1 1 47 ILE HG23 H 12.130 3.159 -2.598 1.00 . A A . 47 ILE HG23 1 1 7 6148 1 1 47 ILE N N 8.838 5.493 -1.726 1.00 . A A . 47 ILE N 1 1 7 6149 1 1 47 ILE O O 9.958 3.413 -0.184 1.00 . A A . 47 ILE O 1 1 7 6150 1 1 48 CYS C C 10.996 0.501 -0.960 1.00 . A A . 48 CYS C 1 1 7 6151 1 1 48 CYS CA C 9.523 0.903 -1.152 1.00 . A A . 48 CYS CA 1 1 7 6152 1 1 48 CYS CB C 8.767 -0.243 -1.841 1.00 . A A . 48 CYS CB 1 1 7 6153 1 1 48 CYS H H 9.293 2.134 -2.904 1.00 . A A . 48 CYS H 1 1 7 6154 1 1 48 CYS HA H 9.083 1.107 -0.185 1.00 . A A . 48 CYS HA 1 1 7 6155 1 1 48 CYS HB2 H 8.561 -0.989 -1.088 1.00 . A A . 48 CYS HB2 1 1 7 6156 1 1 48 CYS HB3 H 7.825 0.109 -2.228 1.00 . A A . 48 CYS HB3 1 1 7 6157 1 1 48 CYS N N 9.493 2.119 -1.946 1.00 . A A . 48 CYS N 1 1 7 6158 1 1 48 CYS O O 11.870 0.982 -1.698 1.00 . A A . 48 CYS O 1 1 7 6159 1 1 48 CYS SG S 9.689 -1.064 -3.168 1.00 . A A . 48 CYS SG 1 1 7 6160 1 1 49 ILE C C 13.309 -1.570 -0.840 1.00 . A A . 49 ILE C 1 1 7 6161 1 1 49 ILE CA C 12.635 -0.813 0.275 1.00 . A A . 49 ILE CA 1 1 7 6162 1 1 49 ILE CB C 12.678 -1.554 1.595 1.00 . A A . 49 ILE CB 1 1 7 6163 1 1 49 ILE CD1 C 12.498 -4.033 0.974 1.00 . A A . 49 ILE CD1 1 1 7 6164 1 1 49 ILE CG1 C 11.861 -2.815 1.615 1.00 . A A . 49 ILE CG1 1 1 7 6165 1 1 49 ILE CG2 C 12.160 -0.642 2.643 1.00 . A A . 49 ILE CG2 1 1 7 6166 1 1 49 ILE H H 10.571 -0.873 0.471 1.00 . A A . 49 ILE H 1 1 7 6167 1 1 49 ILE HA H 13.157 0.112 0.433 1.00 . A A . 49 ILE HA 1 1 7 6168 1 1 49 ILE HB H 13.707 -1.786 1.812 1.00 . A A . 49 ILE HB 1 1 7 6169 1 1 49 ILE HD11 H 13.431 -4.249 1.474 1.00 . A A . 49 ILE HD11 1 1 7 6170 1 1 49 ILE HD12 H 12.689 -3.833 -0.069 1.00 . A A . 49 ILE HD12 1 1 7 6171 1 1 49 ILE HD13 H 11.831 -4.875 1.072 1.00 . A A . 49 ILE HD13 1 1 7 6172 1 1 49 ILE HG12 H 11.818 -2.903 2.678 1.00 . A A . 49 ILE HG12 1 1 7 6173 1 1 49 ILE HG13 H 10.871 -2.622 1.227 1.00 . A A . 49 ILE HG13 1 1 7 6174 1 1 49 ILE HG21 H 12.784 0.233 2.720 1.00 . A A . 49 ILE HG21 1 1 7 6175 1 1 49 ILE HG22 H 12.072 -1.162 3.584 1.00 . A A . 49 ILE HG22 1 1 7 6176 1 1 49 ILE HG23 H 11.201 -0.366 2.222 1.00 . A A . 49 ILE HG23 1 1 7 6177 1 1 49 ILE N N 11.270 -0.418 -0.039 1.00 . A A . 49 ILE N 1 1 7 6178 1 1 49 ILE O O 14.532 -1.643 -0.929 1.00 . A A . 49 ILE O 1 1 7 6179 1 1 50 ASN C C 13.604 -1.879 -3.871 1.00 . A A . 50 ASN C 1 1 7 6180 1 1 50 ASN CA C 12.965 -2.835 -2.880 1.00 . A A . 50 ASN CA 1 1 7 6181 1 1 50 ASN CB C 11.824 -3.603 -3.597 1.00 . A A . 50 ASN CB 1 1 7 6182 1 1 50 ASN CG C 11.162 -4.691 -2.772 1.00 . A A . 50 ASN CG 1 1 7 6183 1 1 50 ASN H H 11.546 -1.937 -1.482 1.00 . A A . 50 ASN H 1 1 7 6184 1 1 50 ASN HA H 13.716 -3.538 -2.551 1.00 . A A . 50 ASN HA 1 1 7 6185 1 1 50 ASN HB2 H 11.058 -2.901 -3.894 1.00 . A A . 50 ASN HB2 1 1 7 6186 1 1 50 ASN HB3 H 12.235 -4.045 -4.491 1.00 . A A . 50 ASN HB3 1 1 7 6187 1 1 50 ASN HD21 H 9.455 -4.467 -3.769 1.00 . A A . 50 ASN HD21 1 1 7 6188 1 1 50 ASN HD22 H 9.477 -5.670 -2.528 1.00 . A A . 50 ASN HD22 1 1 7 6189 1 1 50 ASN N N 12.489 -2.096 -1.705 1.00 . A A . 50 ASN N 1 1 7 6190 1 1 50 ASN ND2 N 9.904 -4.965 -3.053 1.00 . A A . 50 ASN ND2 1 1 7 6191 1 1 50 ASN O O 14.604 -2.188 -4.481 1.00 . A A . 50 ASN O 1 1 7 6192 1 1 50 ASN OD1 O 11.770 -5.293 -1.917 1.00 . A A . 50 ASN OD1 1 1 7 6193 1 1 51 CYS C C 14.468 1.272 -4.298 1.00 . A A . 51 CYS C 1 1 7 6194 1 1 51 CYS CA C 13.508 0.283 -4.962 1.00 . A A . 51 CYS CA 1 1 7 6195 1 1 51 CYS CB C 12.325 1.030 -5.615 1.00 . A A . 51 CYS CB 1 1 7 6196 1 1 51 CYS H H 12.267 -0.503 -3.408 1.00 . A A . 51 CYS H 1 1 7 6197 1 1 51 CYS HA H 14.042 -0.255 -5.734 1.00 . A A . 51 CYS HA 1 1 7 6198 1 1 51 CYS HB2 H 11.783 1.551 -4.839 1.00 . A A . 51 CYS HB2 1 1 7 6199 1 1 51 CYS HB3 H 12.658 1.763 -6.339 1.00 . A A . 51 CYS HB3 1 1 7 6200 1 1 51 CYS N N 13.023 -0.700 -3.999 1.00 . A A . 51 CYS N 1 1 7 6201 1 1 51 CYS O O 15.052 2.128 -4.955 1.00 . A A . 51 CYS O 1 1 7 6202 1 1 51 CYS SG S 11.149 -0.044 -6.457 1.00 . A A . 51 CYS SG 1 1 7 6203 1 1 52 ALA C C 16.984 1.602 -2.358 1.00 . A A . 52 ALA C 1 1 7 6204 1 1 52 ALA CA C 15.518 2.040 -2.247 1.00 . A A . 52 ALA CA 1 1 7 6205 1 1 52 ALA CB C 15.095 2.113 -0.785 1.00 . A A . 52 ALA CB 1 1 7 6206 1 1 52 ALA H H 14.128 0.424 -2.569 1.00 . A A . 52 ALA H 1 1 7 6207 1 1 52 ALA HA H 15.427 3.023 -2.679 1.00 . A A . 52 ALA HA 1 1 7 6208 1 1 52 ALA HB1 H 14.069 2.438 -0.727 1.00 . A A . 52 ALA HB1 1 1 7 6209 1 1 52 ALA HB2 H 15.722 2.817 -0.259 1.00 . A A . 52 ALA HB2 1 1 7 6210 1 1 52 ALA HB3 H 15.193 1.143 -0.321 1.00 . A A . 52 ALA HB3 1 1 7 6211 1 1 52 ALA N N 14.627 1.146 -3.002 1.00 . A A . 52 ALA N 1 1 7 6212 2 2 1 ALA C C 1.072 8.826 -3.795 1.00 . B B . 301 ALA C 1 1 7 6213 2 2 1 ALA CA C 2.578 8.925 -3.604 1.00 . B B . 301 ALA CA 1 1 7 6214 2 2 1 ALA CB C 3.047 7.811 -2.673 1.00 . B B . 301 ALA CB 1 1 7 6215 2 2 1 ALA HA H 3.052 8.786 -4.562 1.00 . B B . 301 ALA HA 1 1 7 6216 2 2 1 ALA HB1 H 2.766 6.862 -3.107 1.00 . B B . 301 ALA HB1 1 1 7 6217 2 2 1 ALA HB2 H 2.551 7.922 -1.721 1.00 . B B . 301 ALA HB2 1 1 7 6218 2 2 1 ALA HB3 H 4.117 7.855 -2.543 1.00 . B B . 301 ALA HB3 1 1 7 6219 2 2 1 ALA N N 2.970 10.263 -3.081 1.00 . B B . 301 ALA N 1 1 7 6220 2 2 1 ALA O O 0.319 9.765 -3.501 1.00 . B B . 301 ALA O 1 1 7 6221 2 2 2 ARG C C -1.264 6.453 -3.470 1.00 . B B . 302 ARG C 1 1 7 6222 2 2 2 ARG CA C -0.774 7.460 -4.481 1.00 . B B . 302 ARG CA 1 1 7 6223 2 2 2 ARG CB C -1.088 7.003 -5.915 1.00 . B B . 302 ARG CB 1 1 7 6224 2 2 2 ARG CD C -1.170 7.605 -8.370 1.00 . B B . 302 ARG CD 1 1 7 6225 2 2 2 ARG CG C -0.795 8.060 -6.968 1.00 . B B . 302 ARG CG 1 1 7 6226 2 2 2 ARG CZ C -1.478 8.765 -10.563 1.00 . B B . 302 ARG CZ 1 1 7 6227 2 2 2 ARG H H 1.288 7.011 -4.542 1.00 . B B . 302 ARG H 1 1 7 6228 2 2 2 ARG HA H -1.286 8.391 -4.294 1.00 . B B . 302 ARG HA 1 1 7 6229 2 2 2 ARG HB2 H -0.492 6.133 -6.137 1.00 . B B . 302 ARG HB2 1 1 7 6230 2 2 2 ARG HB3 H -2.133 6.740 -5.976 1.00 . B B . 302 ARG HB3 1 1 7 6231 2 2 2 ARG HD2 H -0.554 6.760 -8.651 1.00 . B B . 302 ARG HD2 1 1 7 6232 2 2 2 ARG HD3 H -2.212 7.321 -8.377 1.00 . B B . 302 ARG HD3 1 1 7 6233 2 2 2 ARG HE H -0.387 9.424 -9.007 1.00 . B B . 302 ARG HE 1 1 7 6234 2 2 2 ARG HG2 H -1.358 8.951 -6.733 1.00 . B B . 302 ARG HG2 1 1 7 6235 2 2 2 ARG HG3 H 0.260 8.291 -6.946 1.00 . B B . 302 ARG HG3 1 1 7 6236 2 2 2 ARG HH11 H -2.490 6.976 -10.498 1.00 . B B . 302 ARG HH11 1 1 7 6237 2 2 2 ARG HH12 H -2.642 7.822 -11.951 1.00 . B B . 302 ARG HH12 1 1 7 6238 2 2 2 ARG HH21 H -0.650 10.572 -10.962 1.00 . B B . 302 ARG HH21 1 1 7 6239 2 2 2 ARG HH22 H -1.595 9.941 -12.240 1.00 . B B . 302 ARG HH22 1 1 7 6240 2 2 2 ARG N N 0.628 7.697 -4.300 1.00 . B B . 302 ARG N 1 1 7 6241 2 2 2 ARG NE N -0.960 8.693 -9.333 1.00 . B B . 302 ARG NE 1 1 7 6242 2 2 2 ARG NH1 N -2.253 7.797 -11.026 1.00 . B B . 302 ARG NH1 1 1 7 6243 2 2 2 ARG NH2 N -1.228 9.827 -11.312 1.00 . B B . 302 ARG NH2 1 1 7 6244 2 2 2 ARG O O -0.640 5.412 -3.267 1.00 . B B . 302 ARG O 1 1 7 6245 2 2 3 THR C C -4.368 5.592 -2.251 1.00 . B B . 303 THR C 1 1 7 6246 2 2 3 THR CA C -2.942 5.916 -1.844 1.00 . B B . 303 THR CA 1 1 7 6247 2 2 3 THR CB C -2.932 6.587 -0.467 1.00 . B B . 303 THR CB 1 1 7 6248 2 2 3 THR CG2 C -1.535 6.610 0.096 1.00 . B B . 303 THR CG2 1 1 7 6249 2 2 3 THR H H -2.784 7.637 -2.952 1.00 . B B . 303 THR H 1 1 7 6250 2 2 3 THR HA H -2.359 5.004 -1.787 1.00 . B B . 303 THR HA 1 1 7 6251 2 2 3 THR HB H -3.573 6.021 0.191 1.00 . B B . 303 THR HB 1 1 7 6252 2 2 3 THR HG1 H -3.856 8.201 0.252 1.00 . B B . 303 THR HG1 1 1 7 6253 2 2 3 THR HG21 H -1.548 7.048 1.082 1.00 . B B . 303 THR HG21 1 1 7 6254 2 2 3 THR HG22 H -0.902 7.182 -0.567 1.00 . B B . 303 THR HG22 1 1 7 6255 2 2 3 THR HG23 H -1.201 5.583 0.132 1.00 . B B . 303 THR HG23 1 1 7 6256 2 2 3 THR N N -2.337 6.775 -2.817 1.00 . B B . 303 THR N 1 1 7 6257 2 2 3 THR O O -4.948 6.279 -3.096 1.00 . B B . 303 THR O 1 1 7 6258 2 2 3 THR OG1 O -3.442 7.931 -0.575 1.00 . B B . 303 THR OG1 1 1 7 6259 2 2 4 . C C -6.815 3.155 -0.983 1.00 . B B . 304 M3L C 1 1 7 6260 2 2 4 . CA C -6.304 4.137 -2.008 1.00 . B B . 304 M3L CA 1 1 7 6261 2 2 4 . CB C -6.338 3.477 -3.408 1.00 . B B . 304 M3L CB 1 1 7 6262 2 2 4 . CD C -5.238 1.680 -4.825 1.00 . B B . 304 M3L CD 1 1 7 6263 2 2 4 . CE C -6.399 0.837 -5.291 1.00 . B B . 304 M3L CE 1 1 7 6264 2 2 4 . CG C -5.401 2.315 -3.469 1.00 . B B . 304 M3L CG 1 1 7 6265 2 2 4 . CM1 C -4.861 -0.721 -6.479 1.00 . B B . 304 M3L CM1 1 1 7 6266 2 2 4 . CM2 C -5.831 1.178 -7.666 1.00 . B B . 304 M3L CM2 1 1 7 6267 2 2 4 . CM3 C -7.167 -0.751 -7.031 1.00 . B B . 304 M3L CM3 1 1 7 6268 2 2 4 . H H -4.384 4.051 -1.023 1.00 . B B . 304 M3L H 1 1 7 6269 2 2 4 . HA H -6.950 5.003 -2.019 1.00 . B B . 304 M3L HA 1 1 7 6270 2 2 4 . HB2 H -6.051 4.185 -4.169 1.00 . B B . 304 M3L HB2 1 1 7 6271 2 2 4 . HB3 H -7.331 3.112 -3.609 1.00 . B B . 304 M3L HB3 1 1 7 6272 2 2 4 . HD2 H -4.341 1.083 -4.785 1.00 . B B . 304 M3L HD2 1 1 7 6273 2 2 4 . HD3 H -5.096 2.484 -5.525 1.00 . B B . 304 M3L HD3 1 1 7 6274 2 2 4 . HE2 H -7.282 1.445 -5.414 1.00 . B B . 304 M3L HE2 1 1 7 6275 2 2 4 . HE3 H -6.554 0.106 -4.513 1.00 . B B . 304 M3L HE3 1 1 7 6276 2 2 4 . HG2 H -5.735 1.576 -2.758 1.00 . B B . 304 M3L HG2 1 1 7 6277 2 2 4 . HG3 H -4.427 2.680 -3.183 1.00 . B B . 304 M3L HG3 1 1 7 6278 2 2 4 . HM11 H -3.990 -0.133 -6.216 1.00 . B B . 304 M3L HM11 1 1 7 6279 2 2 4 . HM12 H -4.582 -1.203 -7.403 1.00 . B B . 304 M3L HM12 1 1 7 6280 2 2 4 . HM13 H -4.940 -1.508 -5.735 1.00 . B B . 304 M3L HM13 1 1 7 6281 2 2 4 . HM21 H -5.781 0.761 -8.660 1.00 . B B . 304 M3L HM21 1 1 7 6282 2 2 4 . HM22 H -4.904 1.709 -7.509 1.00 . B B . 304 M3L HM22 1 1 7 6283 2 2 4 . HM23 H -6.599 1.936 -7.686 1.00 . B B . 304 M3L HM23 1 1 7 6284 2 2 4 . HM31 H -8.143 -0.317 -6.862 1.00 . B B . 304 M3L HM31 1 1 7 6285 2 2 4 . HM32 H -7.156 -1.702 -6.516 1.00 . B B . 304 M3L HM32 1 1 7 6286 2 2 4 . HM33 H -7.129 -0.980 -8.085 1.00 . B B . 304 M3L HM33 1 1 7 6287 2 2 4 . N N -4.927 4.553 -1.678 1.00 . B B . 304 M3L N 1 1 7 6288 2 2 4 . NZ N -6.070 0.134 -6.614 1.00 . B B . 304 M3L NZ 1 1 7 6289 2 2 4 . O O -6.072 2.722 -0.098 1.00 . B B . 304 M3L O 1 1 7 6290 2 2 5 GLN C C -9.705 1.078 -1.187 1.00 . B B . 305 GLN C 1 1 7 6291 2 2 5 GLN CA C -8.753 1.842 -0.304 1.00 . B B . 305 GLN CA 1 1 7 6292 2 2 5 GLN CB C -9.550 2.493 0.835 1.00 . B B . 305 GLN CB 1 1 7 6293 2 2 5 GLN CD C -9.560 3.851 2.957 1.00 . B B . 305 GLN CD 1 1 7 6294 2 2 5 GLN CG C -8.712 3.199 1.887 1.00 . B B . 305 GLN CG 1 1 7 6295 2 2 5 GLN H H -8.610 3.248 -1.824 1.00 . B B . 305 GLN H 1 1 7 6296 2 2 5 GLN HA H -8.019 1.166 0.111 1.00 . B B . 305 GLN HA 1 1 7 6297 2 2 5 GLN HB2 H -10.231 3.214 0.405 1.00 . B B . 305 GLN HB2 1 1 7 6298 2 2 5 GLN HB3 H -10.128 1.718 1.317 1.00 . B B . 305 GLN HB3 1 1 7 6299 2 2 5 GLN HE21 H -9.654 5.529 1.905 1.00 . B B . 305 GLN HE21 1 1 7 6300 2 2 5 GLN HE22 H -10.473 5.544 3.404 1.00 . B B . 305 GLN HE22 1 1 7 6301 2 2 5 GLN HG2 H -8.068 2.471 2.355 1.00 . B B . 305 GLN HG2 1 1 7 6302 2 2 5 GLN HG3 H -8.110 3.957 1.411 1.00 . B B . 305 GLN HG3 1 1 7 6303 2 2 5 GLN N N -8.077 2.823 -1.119 1.00 . B B . 305 GLN N 1 1 7 6304 2 2 5 GLN NE2 N -9.928 5.084 2.732 1.00 . B B . 305 GLN NE2 1 1 7 6305 2 2 5 GLN O O -10.643 1.657 -1.735 1.00 . B B . 305 GLN O 1 1 7 6306 2 2 5 GLN OE1 O -9.896 3.237 3.981 1.00 . B B . 305 GLN OE1 1 1 7 6307 2 2 6 THR C C -11.504 -1.490 -1.351 1.00 . B B . 306 THR C 1 1 7 6308 2 2 6 THR CA C -10.334 -0.992 -2.184 1.00 . B B . 306 THR CA 1 1 7 6309 2 2 6 THR CB C -9.570 -2.192 -2.782 1.00 . B B . 306 THR CB 1 1 7 6310 2 2 6 THR CG2 C -8.461 -1.718 -3.726 1.00 . B B . 306 THR CG2 1 1 7 6311 2 2 6 THR H H -8.688 -0.591 -0.922 1.00 . B B . 306 THR H 1 1 7 6312 2 2 6 THR HA H -10.706 -0.370 -2.986 1.00 . B B . 306 THR HA 1 1 7 6313 2 2 6 THR HB H -10.277 -2.801 -3.329 1.00 . B B . 306 THR HB 1 1 7 6314 2 2 6 THR HG1 H -9.700 -3.009 -1.039 1.00 . B B . 306 THR HG1 1 1 7 6315 2 2 6 THR HG21 H -7.739 -1.131 -3.170 1.00 . B B . 306 THR HG21 1 1 7 6316 2 2 6 THR HG22 H -8.870 -1.118 -4.525 1.00 . B B . 306 THR HG22 1 1 7 6317 2 2 6 THR HG23 H -7.930 -2.567 -4.137 1.00 . B B . 306 THR HG23 1 1 7 6318 2 2 6 THR N N -9.465 -0.187 -1.361 1.00 . B B . 306 THR N 1 1 7 6319 2 2 6 THR O O -11.307 -2.296 -0.430 1.00 . B B . 306 THR O 1 1 7 6320 2 2 6 THR OG1 O -8.993 -2.965 -1.701 1.00 . B B . 306 THR OG1 1 1 7 6321 2 2 7 ALA C C -14.358 -2.782 -1.271 1.00 . B B . 307 ALA C 1 1 7 6322 2 2 7 ALA CA C -13.878 -1.380 -0.896 1.00 . B B . 307 ALA CA 1 1 7 6323 2 2 7 ALA CB C -14.995 -0.343 -1.044 1.00 . B B . 307 ALA CB 1 1 7 6324 2 2 7 ALA H H -12.787 -0.321 -2.342 1.00 . B B . 307 ALA H 1 1 7 6325 2 2 7 ALA HA H -13.594 -1.416 0.147 1.00 . B B . 307 ALA HA 1 1 7 6326 2 2 7 ALA HB1 H -15.321 -0.287 -2.074 1.00 . B B . 307 ALA HB1 1 1 7 6327 2 2 7 ALA HB2 H -14.624 0.613 -0.706 1.00 . B B . 307 ALA HB2 1 1 7 6328 2 2 7 ALA HB3 H -15.822 -0.627 -0.410 1.00 . B B . 307 ALA HB3 1 1 7 6329 2 2 7 ALA N N -12.691 -0.988 -1.632 1.00 . B B . 307 ALA N 1 1 7 6330 2 2 7 ALA O O -14.799 -3.044 -2.401 1.00 . B B . 307 ALA O 1 1 7 6331 2 2 8 ARG C C -15.858 -5.109 0.579 1.00 . B B . 308 ARG C 1 1 7 6332 2 2 8 ARG CA C -14.680 -5.022 -0.387 1.00 . B B . 308 ARG CA 1 1 7 6333 2 2 8 ARG CB C -13.583 -5.975 0.133 1.00 . B B . 308 ARG CB 1 1 7 6334 2 2 8 ARG CD C -12.319 -6.286 -2.024 1.00 . B B . 308 ARG CD 1 1 7 6335 2 2 8 ARG CG C -12.233 -5.896 -0.565 1.00 . B B . 308 ARG CG 1 1 7 6336 2 2 8 ARG CZ C -10.722 -6.640 -3.915 1.00 . B B . 308 ARG CZ 1 1 7 6337 2 2 8 ARG H H -13.816 -3.365 0.526 1.00 . B B . 308 ARG H 1 1 7 6338 2 2 8 ARG HA H -14.965 -5.282 -1.395 1.00 . B B . 308 ARG HA 1 1 7 6339 2 2 8 ARG HB2 H -13.418 -5.762 1.180 1.00 . B B . 308 ARG HB2 1 1 7 6340 2 2 8 ARG HB3 H -13.943 -6.991 0.054 1.00 . B B . 308 ARG HB3 1 1 7 6341 2 2 8 ARG HD2 H -12.729 -7.281 -2.094 1.00 . B B . 308 ARG HD2 1 1 7 6342 2 2 8 ARG HD3 H -12.956 -5.591 -2.552 1.00 . B B . 308 ARG HD3 1 1 7 6343 2 2 8 ARG HE H -10.273 -5.976 -2.048 1.00 . B B . 308 ARG HE 1 1 7 6344 2 2 8 ARG HG2 H -11.866 -4.884 -0.500 1.00 . B B . 308 ARG HG2 1 1 7 6345 2 2 8 ARG HG3 H -11.542 -6.558 -0.063 1.00 . B B . 308 ARG HG3 1 1 7 6346 2 2 8 ARG HH11 H -12.663 -7.075 -4.432 1.00 . B B . 308 ARG HH11 1 1 7 6347 2 2 8 ARG HH12 H -11.513 -7.315 -5.667 1.00 . B B . 308 ARG HH12 1 1 7 6348 2 2 8 ARG HH21 H -8.677 -6.344 -3.811 1.00 . B B . 308 ARG HH21 1 1 7 6349 2 2 8 ARG HH22 H -9.264 -6.879 -5.316 1.00 . B B . 308 ARG HH22 1 1 7 6350 2 2 8 ARG N N -14.229 -3.663 -0.321 1.00 . B B . 308 ARG N 1 1 7 6351 2 2 8 ARG NE N -10.988 -6.273 -2.649 1.00 . B B . 308 ARG NE 1 1 7 6352 2 2 8 ARG NH1 N -11.702 -7.033 -4.722 1.00 . B B . 308 ARG NH1 1 1 7 6353 2 2 8 ARG NH2 N -9.468 -6.618 -4.363 1.00 . B B . 308 ARG NH2 1 1 7 6354 2 2 8 ARG O O -16.276 -4.099 1.126 1.00 . B B . 308 ARG O 1 1 7 6355 2 2 9 LYS C C -16.915 -6.688 3.205 1.00 . B B . 309 LYS C 1 1 7 6356 2 2 9 LYS CA C -17.462 -6.430 1.786 1.00 . B B . 309 LYS CA 1 1 7 6357 2 2 9 LYS CB C -18.430 -7.531 1.367 1.00 . B B . 309 LYS CB 1 1 7 6358 2 2 9 LYS CD C -19.929 -5.976 0.104 1.00 . B B . 309 LYS CD 1 1 7 6359 2 2 9 LYS CE C -20.648 -5.714 -1.197 1.00 . B B . 309 LYS CE 1 1 7 6360 2 2 9 LYS CG C -19.135 -7.267 0.044 1.00 . B B . 309 LYS CG 1 1 7 6361 2 2 9 LYS H H -16.073 -7.055 0.292 1.00 . B B . 309 LYS H 1 1 7 6362 2 2 9 LYS HA H -17.989 -5.490 1.813 1.00 . B B . 309 LYS HA 1 1 7 6363 2 2 9 LYS HB2 H -17.882 -8.456 1.282 1.00 . B B . 309 LYS HB2 1 1 7 6364 2 2 9 LYS HB3 H -19.184 -7.634 2.133 1.00 . B B . 309 LYS HB3 1 1 7 6365 2 2 9 LYS HD2 H -20.642 -6.030 0.914 1.00 . B B . 309 LYS HD2 1 1 7 6366 2 2 9 LYS HD3 H -19.241 -5.164 0.288 1.00 . B B . 309 LYS HD3 1 1 7 6367 2 2 9 LYS HE2 H -19.919 -5.674 -1.990 1.00 . B B . 309 LYS HE2 1 1 7 6368 2 2 9 LYS HE3 H -21.330 -6.525 -1.398 1.00 . B B . 309 LYS HE3 1 1 7 6369 2 2 9 LYS HG2 H -18.409 -7.211 -0.754 1.00 . B B . 309 LYS HG2 1 1 7 6370 2 2 9 LYS HG3 H -19.810 -8.082 -0.158 1.00 . B B . 309 LYS HG3 1 1 7 6371 2 2 9 LYS HZ1 H -22.150 -4.470 -0.438 1.00 . B B . 309 LYS HZ1 1 1 7 6372 2 2 9 LYS HZ2 H -21.848 -4.274 -2.083 1.00 . B B . 309 LYS HZ2 1 1 7 6373 2 2 9 LYS HZ3 H -20.764 -3.650 -0.970 1.00 . B B . 309 LYS HZ3 1 1 7 6374 2 2 9 LYS N N -16.386 -6.280 0.799 1.00 . B B . 309 LYS N 1 1 7 6375 2 2 9 LYS NZ N -21.401 -4.448 -1.159 1.00 . B B . 309 LYS NZ 1 1 7 6376 3 3 1 ZN ZN ZN 9.227 -0.123 -5.214 1.00 . C A . 53 ZN ZN 1 1 7 6377 4 3 1 ZN ZN ZN 0.339 -5.822 1.284 1.00 . D A . 54 ZN ZN 1 1 8 6378 1 1 1 SER C C -5.057 -9.357 -0.857 1.00 . A A . 1 SER C 1 1 8 6379 1 1 1 SER CA C -6.520 -9.621 -1.241 1.00 . A A . 1 SER CA 1 1 8 6380 1 1 1 SER CB C -6.815 -11.152 -1.283 1.00 . A A . 1 SER CB 1 1 8 6381 1 1 1 SER HA H -7.167 -9.149 -0.519 1.00 . A A . 1 SER HA 1 1 8 6382 1 1 1 SER HB2 H -7.841 -11.312 -1.577 1.00 . A A . 1 SER HB2 1 1 8 6383 1 1 1 SER HB3 H -6.179 -11.616 -2.023 1.00 . A A . 1 SER HB3 1 1 8 6384 1 1 1 SER HG H -7.261 -11.457 0.608 1.00 . A A . 1 SER HG 1 1 8 6385 1 1 1 SER N N -6.817 -9.023 -2.562 1.00 . A A . 1 SER N 1 1 8 6386 1 1 1 SER O O -4.747 -8.935 0.283 1.00 . A A . 1 SER O 1 1 8 6387 1 1 1 SER OG O -6.604 -11.804 -0.019 1.00 . A A . 1 SER OG 1 1 8 6388 1 1 2 VAL C C -2.212 -8.309 -2.475 1.00 . A A . 2 VAL C 1 1 8 6389 1 1 2 VAL CA C -2.758 -9.443 -1.588 1.00 . A A . 2 VAL CA 1 1 8 6390 1 1 2 VAL CB C -2.009 -10.756 -1.994 1.00 . A A . 2 VAL CB 1 1 8 6391 1 1 2 VAL CG1 C -0.550 -10.747 -1.533 1.00 . A A . 2 VAL CG1 1 1 8 6392 1 1 2 VAL CG2 C -2.728 -12.004 -1.519 1.00 . A A . 2 VAL CG2 1 1 8 6393 1 1 2 VAL H H -4.473 -9.771 -2.718 1.00 . A A . 2 VAL H 1 1 8 6394 1 1 2 VAL HA H -2.614 -9.248 -0.532 1.00 . A A . 2 VAL HA 1 1 8 6395 1 1 2 VAL HB H -1.989 -10.764 -3.075 1.00 . A A . 2 VAL HB 1 1 8 6396 1 1 2 VAL HG11 H -0.069 -11.666 -1.828 1.00 . A A . 2 VAL HG11 1 1 8 6397 1 1 2 VAL HG12 H -0.511 -10.657 -0.456 1.00 . A A . 2 VAL HG12 1 1 8 6398 1 1 2 VAL HG13 H -0.027 -9.916 -1.982 1.00 . A A . 2 VAL HG13 1 1 8 6399 1 1 2 VAL HG21 H -2.190 -12.876 -1.860 1.00 . A A . 2 VAL HG21 1 1 8 6400 1 1 2 VAL HG22 H -3.731 -12.033 -1.919 1.00 . A A . 2 VAL HG22 1 1 8 6401 1 1 2 VAL HG23 H -2.769 -12.020 -0.446 1.00 . A A . 2 VAL HG23 1 1 8 6402 1 1 2 VAL N N -4.176 -9.557 -1.809 1.00 . A A . 2 VAL N 1 1 8 6403 1 1 2 VAL O O -2.673 -8.120 -3.603 1.00 . A A . 2 VAL O 1 1 8 6404 1 1 3 CYS C C 0.797 -7.003 -2.938 1.00 . A A . 3 CYS C 1 1 8 6405 1 1 3 CYS CA C -0.634 -6.502 -2.687 1.00 . A A . 3 CYS CA 1 1 8 6406 1 1 3 CYS CB C -0.551 -5.247 -1.861 1.00 . A A . 3 CYS CB 1 1 8 6407 1 1 3 CYS H H -0.969 -7.786 -1.049 1.00 . A A . 3 CYS H 1 1 8 6408 1 1 3 CYS HA H -1.143 -6.330 -3.624 1.00 . A A . 3 CYS HA 1 1 8 6409 1 1 3 CYS HB2 H -0.513 -4.379 -2.507 1.00 . A A . 3 CYS HB2 1 1 8 6410 1 1 3 CYS HB3 H -1.406 -5.179 -1.206 1.00 . A A . 3 CYS HB3 1 1 8 6411 1 1 3 CYS N N -1.280 -7.567 -1.949 1.00 . A A . 3 CYS N 1 1 8 6412 1 1 3 CYS O O 1.163 -8.062 -2.414 1.00 . A A . 3 CYS O 1 1 8 6413 1 1 3 CYS SG S 0.920 -5.219 -0.846 1.00 . A A . 3 CYS SG 1 1 8 6414 1 1 4 ALA C C 4.030 -6.216 -3.076 1.00 . A A . 4 ALA C 1 1 8 6415 1 1 4 ALA CA C 2.919 -6.849 -3.905 1.00 . A A . 4 ALA CA 1 1 8 6416 1 1 4 ALA CB C 3.258 -6.768 -5.346 1.00 . A A . 4 ALA CB 1 1 8 6417 1 1 4 ALA H H 1.262 -5.396 -3.904 1.00 . A A . 4 ALA H 1 1 8 6418 1 1 4 ALA HA H 2.865 -7.897 -3.648 1.00 . A A . 4 ALA HA 1 1 8 6419 1 1 4 ALA HB1 H 2.479 -7.201 -5.956 1.00 . A A . 4 ALA HB1 1 1 8 6420 1 1 4 ALA HB2 H 4.210 -7.254 -5.483 1.00 . A A . 4 ALA HB2 1 1 8 6421 1 1 4 ALA HB3 H 3.354 -5.711 -5.546 1.00 . A A . 4 ALA HB3 1 1 8 6422 1 1 4 ALA N N 1.622 -6.281 -3.672 1.00 . A A . 4 ALA N 1 1 8 6423 1 1 4 ALA O O 4.869 -5.468 -3.577 1.00 . A A . 4 ALA O 1 1 8 6424 1 1 5 ALA C C 5.689 -7.615 -0.443 1.00 . A A . 5 ALA C 1 1 8 6425 1 1 5 ALA CA C 5.146 -6.277 -0.938 1.00 . A A . 5 ALA CA 1 1 8 6426 1 1 5 ALA CB C 4.814 -5.359 0.243 1.00 . A A . 5 ALA CB 1 1 8 6427 1 1 5 ALA H H 3.089 -6.353 -1.414 1.00 . A A . 5 ALA H 1 1 8 6428 1 1 5 ALA HA H 5.910 -5.794 -1.532 1.00 . A A . 5 ALA HA 1 1 8 6429 1 1 5 ALA HB1 H 4.418 -4.427 -0.134 1.00 . A A . 5 ALA HB1 1 1 8 6430 1 1 5 ALA HB2 H 5.710 -5.165 0.814 1.00 . A A . 5 ALA HB2 1 1 8 6431 1 1 5 ALA HB3 H 4.081 -5.830 0.882 1.00 . A A . 5 ALA HB3 1 1 8 6432 1 1 5 ALA N N 3.975 -6.456 -1.785 1.00 . A A . 5 ALA N 1 1 8 6433 1 1 5 ALA O O 4.933 -8.541 -0.180 1.00 . A A . 5 ALA O 1 1 8 6434 1 1 6 GLN C C 7.220 -9.511 1.410 1.00 . A A . 6 GLN C 1 1 8 6435 1 1 6 GLN CA C 7.749 -8.889 0.107 1.00 . A A . 6 GLN CA 1 1 8 6436 1 1 6 GLN CB C 9.244 -8.530 0.253 1.00 . A A . 6 GLN CB 1 1 8 6437 1 1 6 GLN CD C 11.590 -9.308 0.792 1.00 . A A . 6 GLN CD 1 1 8 6438 1 1 6 GLN CG C 10.124 -9.685 0.704 1.00 . A A . 6 GLN CG 1 1 8 6439 1 1 6 GLN H H 7.539 -6.923 -0.630 1.00 . A A . 6 GLN H 1 1 8 6440 1 1 6 GLN HA H 7.670 -9.656 -0.645 1.00 . A A . 6 GLN HA 1 1 8 6441 1 1 6 GLN HB2 H 9.614 -8.168 -0.696 1.00 . A A . 6 GLN HB2 1 1 8 6442 1 1 6 GLN HB3 H 9.326 -7.735 0.982 1.00 . A A . 6 GLN HB3 1 1 8 6443 1 1 6 GLN HE21 H 11.393 -8.790 2.692 1.00 . A A . 6 GLN HE21 1 1 8 6444 1 1 6 GLN HE22 H 12.967 -8.630 1.998 1.00 . A A . 6 GLN HE22 1 1 8 6445 1 1 6 GLN HG2 H 9.782 -10.025 1.672 1.00 . A A . 6 GLN HG2 1 1 8 6446 1 1 6 GLN HG3 H 10.015 -10.480 -0.018 1.00 . A A . 6 GLN HG3 1 1 8 6447 1 1 6 GLN N N 7.010 -7.691 -0.333 1.00 . A A . 6 GLN N 1 1 8 6448 1 1 6 GLN NE2 N 12.017 -8.864 1.941 1.00 . A A . 6 GLN NE2 1 1 8 6449 1 1 6 GLN O O 6.942 -10.703 1.468 1.00 . A A . 6 GLN O 1 1 8 6450 1 1 6 GLN OE1 O 12.328 -9.429 -0.172 1.00 . A A . 6 GLN OE1 1 1 8 6451 1 1 7 ASN C C 5.149 -8.967 3.959 1.00 . A A . 7 ASN C 1 1 8 6452 1 1 7 ASN CA C 6.660 -9.178 3.754 1.00 . A A . 7 ASN CA 1 1 8 6453 1 1 7 ASN CB C 7.477 -8.369 4.769 1.00 . A A . 7 ASN CB 1 1 8 6454 1 1 7 ASN CG C 7.428 -8.900 6.216 1.00 . A A . 7 ASN CG 1 1 8 6455 1 1 7 ASN H H 7.190 -7.746 2.256 1.00 . A A . 7 ASN H 1 1 8 6456 1 1 7 ASN HA H 6.922 -10.223 3.842 1.00 . A A . 7 ASN HA 1 1 8 6457 1 1 7 ASN HB2 H 8.502 -8.393 4.425 1.00 . A A . 7 ASN HB2 1 1 8 6458 1 1 7 ASN HB3 H 7.131 -7.346 4.751 1.00 . A A . 7 ASN HB3 1 1 8 6459 1 1 7 ASN HD21 H 5.916 -7.718 6.663 1.00 . A A . 7 ASN HD21 1 1 8 6460 1 1 7 ASN HD22 H 6.497 -8.716 7.950 1.00 . A A . 7 ASN HD22 1 1 8 6461 1 1 7 ASN N N 7.048 -8.700 2.415 1.00 . A A . 7 ASN N 1 1 8 6462 1 1 7 ASN ND2 N 6.527 -8.398 7.024 1.00 . A A . 7 ASN ND2 1 1 8 6463 1 1 7 ASN O O 4.674 -8.686 5.047 1.00 . A A . 7 ASN O 1 1 8 6464 1 1 7 ASN OD1 O 8.233 -9.741 6.596 1.00 . A A . 7 ASN OD1 1 1 8 6465 1 1 8 CYS C C 2.104 -9.937 3.639 1.00 . A A . 8 CYS C 1 1 8 6466 1 1 8 CYS CA C 2.996 -8.869 2.944 1.00 . A A . 8 CYS CA 1 1 8 6467 1 1 8 CYS CB C 2.471 -8.468 1.571 1.00 . A A . 8 CYS CB 1 1 8 6468 1 1 8 CYS H H 4.785 -9.432 2.049 1.00 . A A . 8 CYS H 1 1 8 6469 1 1 8 CYS HA H 2.902 -8.008 3.578 1.00 . A A . 8 CYS HA 1 1 8 6470 1 1 8 CYS HB2 H 3.024 -7.608 1.229 1.00 . A A . 8 CYS HB2 1 1 8 6471 1 1 8 CYS HB3 H 2.630 -9.283 0.882 1.00 . A A . 8 CYS HB3 1 1 8 6472 1 1 8 CYS N N 4.400 -9.141 2.904 1.00 . A A . 8 CYS N 1 1 8 6473 1 1 8 CYS O O 2.414 -11.133 3.698 1.00 . A A . 8 CYS O 1 1 8 6474 1 1 8 CYS SG S 0.727 -8.063 1.546 1.00 . A A . 8 CYS SG 1 1 8 6475 1 1 9 GLN C C -1.376 -9.866 4.114 1.00 . A A . 9 GLN C 1 1 8 6476 1 1 9 GLN CA C -0.054 -10.141 4.827 1.00 . A A . 9 GLN CA 1 1 8 6477 1 1 9 GLN CB C -0.153 -9.703 6.280 1.00 . A A . 9 GLN CB 1 1 8 6478 1 1 9 GLN CD C 0.986 -9.475 8.516 1.00 . A A . 9 GLN CD 1 1 8 6479 1 1 9 GLN CG C 1.101 -9.964 7.090 1.00 . A A . 9 GLN CG 1 1 8 6480 1 1 9 GLN H H 1.082 -8.466 3.937 1.00 . A A . 9 GLN H 1 1 8 6481 1 1 9 GLN HA H 0.160 -11.198 4.775 1.00 . A A . 9 GLN HA 1 1 8 6482 1 1 9 GLN HB2 H -0.360 -8.646 6.306 1.00 . A A . 9 GLN HB2 1 1 8 6483 1 1 9 GLN HB3 H -0.978 -10.227 6.740 1.00 . A A . 9 GLN HB3 1 1 8 6484 1 1 9 GLN HE21 H 2.210 -10.901 9.144 1.00 . A A . 9 GLN HE21 1 1 8 6485 1 1 9 GLN HE22 H 1.599 -9.822 10.337 1.00 . A A . 9 GLN HE22 1 1 8 6486 1 1 9 GLN HG2 H 1.299 -11.024 7.106 1.00 . A A . 9 GLN HG2 1 1 8 6487 1 1 9 GLN HG3 H 1.942 -9.464 6.624 1.00 . A A . 9 GLN HG3 1 1 8 6488 1 1 9 GLN N N 0.999 -9.415 4.153 1.00 . A A . 9 GLN N 1 1 8 6489 1 1 9 GLN NE2 N 1.661 -10.136 9.412 1.00 . A A . 9 GLN NE2 1 1 8 6490 1 1 9 GLN O O -1.495 -8.880 3.366 1.00 . A A . 9 GLN O 1 1 8 6491 1 1 9 GLN OE1 O 0.281 -8.514 8.808 1.00 . A A . 9 GLN OE1 1 1 8 6492 1 1 10 ARG C C -4.669 -10.105 4.783 1.00 . A A . 10 ARG C 1 1 8 6493 1 1 10 ARG CA C -3.665 -10.576 3.728 1.00 . A A . 10 ARG CA 1 1 8 6494 1 1 10 ARG CB C -4.108 -11.940 3.172 1.00 . A A . 10 ARG CB 1 1 8 6495 1 1 10 ARG CD C -3.535 -13.936 1.713 1.00 . A A . 10 ARG CD 1 1 8 6496 1 1 10 ARG CG C -3.102 -12.557 2.208 1.00 . A A . 10 ARG CG 1 1 8 6497 1 1 10 ARG CZ C -5.446 -14.998 0.520 1.00 . A A . 10 ARG CZ 1 1 8 6498 1 1 10 ARG H H -2.271 -11.451 4.956 1.00 . A A . 10 ARG H 1 1 8 6499 1 1 10 ARG HA H -3.607 -9.863 2.917 1.00 . A A . 10 ARG HA 1 1 8 6500 1 1 10 ARG HB2 H -4.257 -12.624 3.996 1.00 . A A . 10 ARG HB2 1 1 8 6501 1 1 10 ARG HB3 H -5.043 -11.807 2.647 1.00 . A A . 10 ARG HB3 1 1 8 6502 1 1 10 ARG HD2 H -2.771 -14.331 1.060 1.00 . A A . 10 ARG HD2 1 1 8 6503 1 1 10 ARG HD3 H -3.655 -14.589 2.564 1.00 . A A . 10 ARG HD3 1 1 8 6504 1 1 10 ARG HE H -5.170 -13.019 0.780 1.00 . A A . 10 ARG HE 1 1 8 6505 1 1 10 ARG HG2 H -2.996 -11.878 1.381 1.00 . A A . 10 ARG HG2 1 1 8 6506 1 1 10 ARG HG3 H -2.151 -12.641 2.713 1.00 . A A . 10 ARG HG3 1 1 8 6507 1 1 10 ARG HH11 H -4.105 -16.349 1.276 1.00 . A A . 10 ARG HH11 1 1 8 6508 1 1 10 ARG HH12 H -5.407 -17.059 0.448 1.00 . A A . 10 ARG HH12 1 1 8 6509 1 1 10 ARG HH21 H -6.939 -13.939 -0.341 1.00 . A A . 10 ARG HH21 1 1 8 6510 1 1 10 ARG HH22 H -7.117 -15.632 -0.499 1.00 . A A . 10 ARG HH22 1 1 8 6511 1 1 10 ARG N N -2.359 -10.707 4.339 1.00 . A A . 10 ARG N 1 1 8 6512 1 1 10 ARG NE N -4.798 -13.912 0.960 1.00 . A A . 10 ARG NE 1 1 8 6513 1 1 10 ARG NH1 N -4.959 -16.219 0.760 1.00 . A A . 10 ARG NH1 1 1 8 6514 1 1 10 ARG NH2 N -6.581 -14.858 -0.161 1.00 . A A . 10 ARG NH2 1 1 8 6515 1 1 10 ARG O O -5.192 -10.900 5.573 1.00 . A A . 10 ARG O 1 1 8 6516 1 1 11 PRO C C -7.101 -7.711 5.001 1.00 . A A . 11 PRO C 1 1 8 6517 1 1 11 PRO CA C -5.863 -8.174 5.756 1.00 . A A . 11 PRO CA 1 1 8 6518 1 1 11 PRO CB C -5.065 -6.945 6.170 1.00 . A A . 11 PRO CB 1 1 8 6519 1 1 11 PRO CD C -4.174 -7.788 4.070 1.00 . A A . 11 PRO CD 1 1 8 6520 1 1 11 PRO CG C -4.378 -6.521 4.895 1.00 . A A . 11 PRO CG 1 1 8 6521 1 1 11 PRO HA H -6.113 -8.765 6.624 1.00 . A A . 11 PRO HA 1 1 8 6522 1 1 11 PRO HB2 H -5.743 -6.185 6.523 1.00 . A A . 11 PRO HB2 1 1 8 6523 1 1 11 PRO HB3 H -4.353 -7.187 6.944 1.00 . A A . 11 PRO HB3 1 1 8 6524 1 1 11 PRO HD2 H -4.463 -7.746 3.025 1.00 . A A . 11 PRO HD2 1 1 8 6525 1 1 11 PRO HD3 H -3.121 -8.030 4.100 1.00 . A A . 11 PRO HD3 1 1 8 6526 1 1 11 PRO HG2 H -5.004 -5.830 4.351 1.00 . A A . 11 PRO HG2 1 1 8 6527 1 1 11 PRO HG3 H -3.428 -6.068 5.134 1.00 . A A . 11 PRO HG3 1 1 8 6528 1 1 11 PRO N N -4.904 -8.798 4.837 1.00 . A A . 11 PRO N 1 1 8 6529 1 1 11 PRO O O -7.678 -6.645 5.316 1.00 . A A . 11 PRO O 1 1 8 6530 1 1 12 CYS C C -9.996 -8.015 3.699 1.00 . A A . 12 CYS C 1 1 8 6531 1 1 12 CYS CA C -8.566 -8.137 3.131 1.00 . A A . 12 CYS CA 1 1 8 6532 1 1 12 CYS CB C -8.502 -8.974 1.854 1.00 . A A . 12 CYS CB 1 1 8 6533 1 1 12 CYS H H -7.139 -9.416 3.994 1.00 . A A . 12 CYS H 1 1 8 6534 1 1 12 CYS HA H -8.295 -7.129 2.846 1.00 . A A . 12 CYS HA 1 1 8 6535 1 1 12 CYS HB2 H -9.337 -8.714 1.223 1.00 . A A . 12 CYS HB2 1 1 8 6536 1 1 12 CYS HB3 H -7.576 -8.725 1.359 1.00 . A A . 12 CYS HB3 1 1 8 6537 1 1 12 CYS HG H -9.609 -11.031 2.860 1.00 . A A . 12 CYS HG 1 1 8 6538 1 1 12 CYS N N -7.532 -8.519 4.059 1.00 . A A . 12 CYS N 1 1 8 6539 1 1 12 CYS O O -10.814 -8.935 3.601 1.00 . A A . 12 CYS O 1 1 8 6540 1 1 12 CYS SG S -8.542 -10.765 2.113 1.00 . A A . 12 CYS SG 1 1 8 6541 1 1 13 LYS C C -12.094 -5.651 3.564 1.00 . A A . 13 LYS C 1 1 8 6542 1 1 13 LYS CA C -11.557 -6.471 4.742 1.00 . A A . 13 LYS CA 1 1 8 6543 1 1 13 LYS CB C -11.479 -5.576 5.988 1.00 . A A . 13 LYS CB 1 1 8 6544 1 1 13 LYS CD C -10.934 -5.310 8.428 1.00 . A A . 13 LYS CD 1 1 8 6545 1 1 13 LYS CE C -9.875 -4.224 8.270 1.00 . A A . 13 LYS CE 1 1 8 6546 1 1 13 LYS CG C -10.967 -6.273 7.240 1.00 . A A . 13 LYS CG 1 1 8 6547 1 1 13 LYS H H -9.445 -6.445 4.742 1.00 . A A . 13 LYS H 1 1 8 6548 1 1 13 LYS HA H -12.184 -7.325 4.940 1.00 . A A . 13 LYS HA 1 1 8 6549 1 1 13 LYS HB2 H -10.818 -4.751 5.765 1.00 . A A . 13 LYS HB2 1 1 8 6550 1 1 13 LYS HB3 H -12.465 -5.181 6.191 1.00 . A A . 13 LYS HB3 1 1 8 6551 1 1 13 LYS HD2 H -11.891 -4.815 8.460 1.00 . A A . 13 LYS HD2 1 1 8 6552 1 1 13 LYS HD3 H -10.760 -5.864 9.338 1.00 . A A . 13 LYS HD3 1 1 8 6553 1 1 13 LYS HE2 H -10.039 -3.690 7.345 1.00 . A A . 13 LYS HE2 1 1 8 6554 1 1 13 LYS HE3 H -9.973 -3.536 9.096 1.00 . A A . 13 LYS HE3 1 1 8 6555 1 1 13 LYS HG2 H -11.619 -7.103 7.472 1.00 . A A . 13 LYS HG2 1 1 8 6556 1 1 13 LYS HG3 H -9.971 -6.638 7.049 1.00 . A A . 13 LYS HG3 1 1 8 6557 1 1 13 LYS HZ1 H -7.792 -4.032 8.231 1.00 . A A . 13 LYS HZ1 1 1 8 6558 1 1 13 LYS HZ2 H -8.344 -5.473 7.510 1.00 . A A . 13 LYS HZ2 1 1 8 6559 1 1 13 LYS HZ3 H -8.368 -5.310 9.165 1.00 . A A . 13 LYS HZ3 1 1 8 6560 1 1 13 LYS N N -10.224 -6.920 4.386 1.00 . A A . 13 LYS N 1 1 8 6561 1 1 13 LYS NZ N -8.501 -4.787 8.274 1.00 . A A . 13 LYS NZ 1 1 8 6562 1 1 13 LYS O O -11.477 -5.644 2.490 1.00 . A A . 13 LYS O 1 1 8 6563 1 1 14 ASP C C -12.813 -2.986 2.369 1.00 . A A . 14 ASP C 1 1 8 6564 1 1 14 ASP CA C -13.746 -4.113 2.699 1.00 . A A . 14 ASP CA 1 1 8 6565 1 1 14 ASP CB C -15.139 -3.546 3.021 1.00 . A A . 14 ASP CB 1 1 8 6566 1 1 14 ASP CG C -16.246 -4.503 2.735 1.00 . A A . 14 ASP CG 1 1 8 6567 1 1 14 ASP H H -13.694 -5.057 4.600 1.00 . A A . 14 ASP H 1 1 8 6568 1 1 14 ASP HA H -13.830 -4.730 1.818 1.00 . A A . 14 ASP HA 1 1 8 6569 1 1 14 ASP HB2 H -15.191 -3.303 4.075 1.00 . A A . 14 ASP HB2 1 1 8 6570 1 1 14 ASP HB3 H -15.294 -2.656 2.430 1.00 . A A . 14 ASP HB3 1 1 8 6571 1 1 14 ASP N N -13.213 -4.977 3.749 1.00 . A A . 14 ASP N 1 1 8 6572 1 1 14 ASP O O -12.180 -2.973 1.309 1.00 . A A . 14 ASP O 1 1 8 6573 1 1 14 ASP OD1 O -16.617 -4.608 1.548 1.00 . A A . 14 ASP OD1 1 1 8 6574 1 1 14 ASP OD2 O -16.787 -5.126 3.686 1.00 . A A . 14 ASP OD2 1 1 8 6575 1 1 15 LYS C C -10.561 -1.087 3.665 1.00 . A A . 15 LYS C 1 1 8 6576 1 1 15 LYS CA C -11.928 -0.872 3.060 1.00 . A A . 15 LYS CA 1 1 8 6577 1 1 15 LYS CB C -12.635 0.298 3.719 1.00 . A A . 15 LYS CB 1 1 8 6578 1 1 15 LYS CD C -14.822 1.456 4.067 1.00 . A A . 15 LYS CD 1 1 8 6579 1 1 15 LYS CE C -16.329 1.365 3.837 1.00 . A A . 15 LYS CE 1 1 8 6580 1 1 15 LYS CG C -14.091 0.391 3.302 1.00 . A A . 15 LYS CG 1 1 8 6581 1 1 15 LYS H H -13.225 -2.063 4.104 1.00 . A A . 15 LYS H 1 1 8 6582 1 1 15 LYS HA H -11.842 -0.678 2.000 1.00 . A A . 15 LYS HA 1 1 8 6583 1 1 15 LYS HB2 H -12.588 0.168 4.790 1.00 . A A . 15 LYS HB2 1 1 8 6584 1 1 15 LYS HB3 H -12.140 1.220 3.448 1.00 . A A . 15 LYS HB3 1 1 8 6585 1 1 15 LYS HD2 H -14.591 1.310 5.112 1.00 . A A . 15 LYS HD2 1 1 8 6586 1 1 15 LYS HD3 H -14.462 2.426 3.752 1.00 . A A . 15 LYS HD3 1 1 8 6587 1 1 15 LYS HE2 H -16.617 0.367 4.139 1.00 . A A . 15 LYS HE2 1 1 8 6588 1 1 15 LYS HE3 H -16.847 2.092 4.445 1.00 . A A . 15 LYS HE3 1 1 8 6589 1 1 15 LYS HG2 H -14.141 0.612 2.245 1.00 . A A . 15 LYS HG2 1 1 8 6590 1 1 15 LYS HG3 H -14.554 -0.568 3.482 1.00 . A A . 15 LYS HG3 1 1 8 6591 1 1 15 LYS HZ1 H -17.736 1.483 2.310 1.00 . A A . 15 LYS HZ1 1 1 8 6592 1 1 15 LYS HZ2 H -16.273 0.815 1.820 1.00 . A A . 15 LYS HZ2 1 1 8 6593 1 1 15 LYS HZ3 H -16.419 2.475 2.081 1.00 . A A . 15 LYS HZ3 1 1 8 6594 1 1 15 LYS N N -12.729 -2.043 3.260 1.00 . A A . 15 LYS N 1 1 8 6595 1 1 15 LYS NZ N -16.705 1.538 2.428 1.00 . A A . 15 LYS NZ 1 1 8 6596 1 1 15 LYS O O -10.433 -1.295 4.875 1.00 . A A . 15 LYS O 1 1 8 6597 1 1 16 VAL C C -7.296 -0.291 2.545 1.00 . A A . 16 VAL C 1 1 8 6598 1 1 16 VAL CA C -8.192 -1.292 3.235 1.00 . A A . 16 VAL CA 1 1 8 6599 1 1 16 VAL CB C -7.711 -2.756 2.949 1.00 . A A . 16 VAL CB 1 1 8 6600 1 1 16 VAL CG1 C -8.460 -3.755 3.830 1.00 . A A . 16 VAL CG1 1 1 8 6601 1 1 16 VAL CG2 C -7.890 -3.113 1.472 1.00 . A A . 16 VAL CG2 1 1 8 6602 1 1 16 VAL H H -9.721 -0.876 1.878 1.00 . A A . 16 VAL H 1 1 8 6603 1 1 16 VAL HA H -8.154 -1.110 4.296 1.00 . A A . 16 VAL HA 1 1 8 6604 1 1 16 VAL HB H -6.660 -2.821 3.196 1.00 . A A . 16 VAL HB 1 1 8 6605 1 1 16 VAL HG11 H -8.285 -3.527 4.872 1.00 . A A . 16 VAL HG11 1 1 8 6606 1 1 16 VAL HG12 H -8.120 -4.759 3.626 1.00 . A A . 16 VAL HG12 1 1 8 6607 1 1 16 VAL HG13 H -9.520 -3.694 3.636 1.00 . A A . 16 VAL HG13 1 1 8 6608 1 1 16 VAL HG21 H -7.510 -4.106 1.284 1.00 . A A . 16 VAL HG21 1 1 8 6609 1 1 16 VAL HG22 H -7.338 -2.400 0.876 1.00 . A A . 16 VAL HG22 1 1 8 6610 1 1 16 VAL HG23 H -8.939 -3.078 1.207 1.00 . A A . 16 VAL HG23 1 1 8 6611 1 1 16 VAL N N -9.558 -1.064 2.826 1.00 . A A . 16 VAL N 1 1 8 6612 1 1 16 VAL O O -7.639 0.204 1.473 1.00 . A A . 16 VAL O 1 1 8 6613 1 1 17 ASP C C -4.214 0.497 1.725 1.00 . A A . 17 ASP C 1 1 8 6614 1 1 17 ASP CA C -5.260 1.055 2.678 1.00 . A A . 17 ASP CA 1 1 8 6615 1 1 17 ASP CB C -4.533 1.709 3.865 1.00 . A A . 17 ASP CB 1 1 8 6616 1 1 17 ASP CG C -5.465 2.153 4.969 1.00 . A A . 17 ASP CG 1 1 8 6617 1 1 17 ASP H H -5.856 -0.429 3.973 1.00 . A A . 17 ASP H 1 1 8 6618 1 1 17 ASP HA H -5.852 1.810 2.186 1.00 . A A . 17 ASP HA 1 1 8 6619 1 1 17 ASP HB2 H -3.840 0.991 4.282 1.00 . A A . 17 ASP HB2 1 1 8 6620 1 1 17 ASP HB3 H -3.988 2.571 3.506 1.00 . A A . 17 ASP HB3 1 1 8 6621 1 1 17 ASP N N -6.163 0.007 3.156 1.00 . A A . 17 ASP N 1 1 8 6622 1 1 17 ASP O O -3.693 -0.621 1.921 1.00 . A A . 17 ASP O 1 1 8 6623 1 1 17 ASP OD1 O -6.011 3.286 4.907 1.00 . A A . 17 ASP OD1 1 1 8 6624 1 1 17 ASP OD2 O -5.661 1.362 5.912 1.00 . A A . 17 ASP OD2 1 1 8 6625 1 1 18 TRP C C -1.919 2.085 -0.504 1.00 . A A . 18 TRP C 1 1 8 6626 1 1 18 TRP CA C -2.906 0.923 -0.310 1.00 . A A . 18 TRP CA 1 1 8 6627 1 1 18 TRP CB C -3.582 0.693 -1.652 1.00 . A A . 18 TRP CB 1 1 8 6628 1 1 18 TRP CD1 C -5.878 -0.339 -1.064 1.00 . A A . 18 TRP CD1 1 1 8 6629 1 1 18 TRP CD2 C -4.722 -1.482 -2.572 1.00 . A A . 18 TRP CD2 1 1 8 6630 1 1 18 TRP CE2 C -5.922 -2.150 -2.333 1.00 . A A . 18 TRP CE2 1 1 8 6631 1 1 18 TRP CE3 C -3.852 -2.004 -3.490 1.00 . A A . 18 TRP CE3 1 1 8 6632 1 1 18 TRP CG C -4.682 -0.347 -1.714 1.00 . A A . 18 TRP CG 1 1 8 6633 1 1 18 TRP CH2 C -5.378 -3.802 -3.915 1.00 . A A . 18 TRP CH2 1 1 8 6634 1 1 18 TRP CZ2 C -6.269 -3.321 -2.995 1.00 . A A . 18 TRP CZ2 1 1 8 6635 1 1 18 TRP CZ3 C -4.183 -3.154 -4.163 1.00 . A A . 18 TRP CZ3 1 1 8 6636 1 1 18 TRP H H -4.402 2.128 0.690 1.00 . A A . 18 TRP H 1 1 8 6637 1 1 18 TRP HA H -2.379 0.028 -0.012 1.00 . A A . 18 TRP HA 1 1 8 6638 1 1 18 TRP HB2 H -4.004 1.641 -1.945 1.00 . A A . 18 TRP HB2 1 1 8 6639 1 1 18 TRP HB3 H -2.820 0.424 -2.369 1.00 . A A . 18 TRP HB3 1 1 8 6640 1 1 18 TRP HD1 H -6.178 0.420 -0.358 1.00 . A A . 18 TRP HD1 1 1 8 6641 1 1 18 TRP HE1 H -7.484 -1.688 -1.048 1.00 . A A . 18 TRP HE1 1 1 8 6642 1 1 18 TRP HE3 H -2.933 -1.489 -3.680 1.00 . A A . 18 TRP HE3 1 1 8 6643 1 1 18 TRP HH2 H -5.576 -4.690 -4.490 1.00 . A A . 18 TRP HH2 1 1 8 6644 1 1 18 TRP HZ2 H -7.205 -3.817 -2.782 1.00 . A A . 18 TRP HZ2 1 1 8 6645 1 1 18 TRP HZ3 H -3.502 -3.570 -4.894 1.00 . A A . 18 TRP HZ3 1 1 8 6646 1 1 18 TRP N N -3.897 1.282 0.713 1.00 . A A . 18 TRP N 1 1 8 6647 1 1 18 TRP NE1 N -6.600 -1.442 -1.401 1.00 . A A . 18 TRP NE1 1 1 8 6648 1 1 18 TRP O O -2.240 3.242 -0.150 1.00 . A A . 18 TRP O 1 1 8 6649 1 1 19 VAL C C 0.868 2.508 -2.729 1.00 . A A . 19 VAL C 1 1 8 6650 1 1 19 VAL CA C 0.286 2.813 -1.371 1.00 . A A . 19 VAL CA 1 1 8 6651 1 1 19 VAL CB C 1.508 2.681 -0.432 1.00 . A A . 19 VAL CB 1 1 8 6652 1 1 19 VAL CG1 C 2.435 3.890 -0.524 1.00 . A A . 19 VAL CG1 1 1 8 6653 1 1 19 VAL CG2 C 1.162 2.335 0.981 1.00 . A A . 19 VAL CG2 1 1 8 6654 1 1 19 VAL H H -0.488 0.914 -1.422 1.00 . A A . 19 VAL H 1 1 8 6655 1 1 19 VAL HA H -0.110 3.815 -1.315 1.00 . A A . 19 VAL HA 1 1 8 6656 1 1 19 VAL HB H 2.054 1.860 -0.869 1.00 . A A . 19 VAL HB 1 1 8 6657 1 1 19 VAL HG11 H 3.281 3.744 0.132 1.00 . A A . 19 VAL HG11 1 1 8 6658 1 1 19 VAL HG12 H 1.893 4.776 -0.225 1.00 . A A . 19 VAL HG12 1 1 8 6659 1 1 19 VAL HG13 H 2.782 3.998 -1.542 1.00 . A A . 19 VAL HG13 1 1 8 6660 1 1 19 VAL HG21 H 0.674 1.373 0.988 1.00 . A A . 19 VAL HG21 1 1 8 6661 1 1 19 VAL HG22 H 0.532 3.102 1.406 1.00 . A A . 19 VAL HG22 1 1 8 6662 1 1 19 VAL HG23 H 2.104 2.255 1.503 1.00 . A A . 19 VAL HG23 1 1 8 6663 1 1 19 VAL N N -0.747 1.804 -1.097 1.00 . A A . 19 VAL N 1 1 8 6664 1 1 19 VAL O O 1.028 1.341 -3.063 1.00 . A A . 19 VAL O 1 1 8 6665 1 1 20 GLN C C 3.316 3.834 -4.551 1.00 . A A . 20 GLN C 1 1 8 6666 1 1 20 GLN CA C 1.903 3.331 -4.723 1.00 . A A . 20 GLN CA 1 1 8 6667 1 1 20 GLN CB C 1.228 4.004 -5.903 1.00 . A A . 20 GLN CB 1 1 8 6668 1 1 20 GLN CD C 1.219 4.167 -8.431 1.00 . A A . 20 GLN CD 1 1 8 6669 1 1 20 GLN CG C 2.011 3.863 -7.201 1.00 . A A . 20 GLN CG 1 1 8 6670 1 1 20 GLN H H 0.825 4.396 -3.222 1.00 . A A . 20 GLN H 1 1 8 6671 1 1 20 GLN HA H 1.947 2.266 -4.905 1.00 . A A . 20 GLN HA 1 1 8 6672 1 1 20 GLN HB2 H 0.218 3.652 -5.991 1.00 . A A . 20 GLN HB2 1 1 8 6673 1 1 20 GLN HB3 H 1.164 5.054 -5.665 1.00 . A A . 20 GLN HB3 1 1 8 6674 1 1 20 GLN HE21 H 0.867 2.243 -8.660 1.00 . A A . 20 GLN HE21 1 1 8 6675 1 1 20 GLN HE22 H 0.216 3.273 -9.871 1.00 . A A . 20 GLN HE22 1 1 8 6676 1 1 20 GLN HG2 H 2.836 4.555 -7.175 1.00 . A A . 20 GLN HG2 1 1 8 6677 1 1 20 GLN HG3 H 2.373 2.848 -7.258 1.00 . A A . 20 GLN HG3 1 1 8 6678 1 1 20 GLN N N 1.160 3.514 -3.498 1.00 . A A . 20 GLN N 1 1 8 6679 1 1 20 GLN NE2 N 0.707 3.134 -9.039 1.00 . A A . 20 GLN NE2 1 1 8 6680 1 1 20 GLN O O 3.523 4.906 -4.007 1.00 . A A . 20 GLN O 1 1 8 6681 1 1 20 GLN OE1 O 1.123 5.308 -8.865 1.00 . A A . 20 GLN OE1 1 1 8 6682 1 1 21 CYS C C 6.046 4.364 -6.056 1.00 . A A . 21 CYS C 1 1 8 6683 1 1 21 CYS CA C 5.686 3.412 -4.904 1.00 . A A . 21 CYS CA 1 1 8 6684 1 1 21 CYS CB C 6.487 2.159 -5.099 1.00 . A A . 21 CYS CB 1 1 8 6685 1 1 21 CYS H H 4.087 2.150 -5.345 1.00 . A A . 21 CYS H 1 1 8 6686 1 1 21 CYS HA H 5.932 3.841 -3.943 1.00 . A A . 21 CYS HA 1 1 8 6687 1 1 21 CYS HB2 H 6.097 1.328 -4.552 1.00 . A A . 21 CYS HB2 1 1 8 6688 1 1 21 CYS HB3 H 6.365 1.916 -6.144 1.00 . A A . 21 CYS HB3 1 1 8 6689 1 1 21 CYS N N 4.275 3.041 -4.968 1.00 . A A . 21 CYS N 1 1 8 6690 1 1 21 CYS O O 5.696 4.104 -7.208 1.00 . A A . 21 CYS O 1 1 8 6691 1 1 21 CYS SG S 8.260 2.227 -4.801 1.00 . A A . 21 CYS SG 1 1 8 6692 1 1 22 ASP C C 8.667 6.007 -7.213 1.00 . A A . 22 ASP C 1 1 8 6693 1 1 22 ASP CA C 7.252 6.356 -6.784 1.00 . A A . 22 ASP CA 1 1 8 6694 1 1 22 ASP CB C 7.269 7.790 -6.256 1.00 . A A . 22 ASP CB 1 1 8 6695 1 1 22 ASP CG C 5.924 8.347 -5.903 1.00 . A A . 22 ASP CG 1 1 8 6696 1 1 22 ASP H H 7.073 5.523 -4.815 1.00 . A A . 22 ASP H 1 1 8 6697 1 1 22 ASP HA H 6.591 6.291 -7.637 1.00 . A A . 22 ASP HA 1 1 8 6698 1 1 22 ASP HB2 H 7.868 7.813 -5.360 1.00 . A A . 22 ASP HB2 1 1 8 6699 1 1 22 ASP HB3 H 7.725 8.418 -7.005 1.00 . A A . 22 ASP HB3 1 1 8 6700 1 1 22 ASP N N 6.796 5.398 -5.754 1.00 . A A . 22 ASP N 1 1 8 6701 1 1 22 ASP O O 9.323 6.772 -7.907 1.00 . A A . 22 ASP O 1 1 8 6702 1 1 22 ASP OD1 O 5.223 8.869 -6.816 1.00 . A A . 22 ASP OD1 1 1 8 6703 1 1 22 ASP OD2 O 5.570 8.315 -4.722 1.00 . A A . 22 ASP OD2 1 1 8 6704 1 1 23 GLY C C 10.695 3.658 -8.351 1.00 . A A . 23 GLY C 1 1 8 6705 1 1 23 GLY CA C 10.506 4.460 -7.088 1.00 . A A . 23 GLY CA 1 1 8 6706 1 1 23 GLY H H 8.555 4.145 -6.414 1.00 . A A . 23 GLY H 1 1 8 6707 1 1 23 GLY HA2 H 11.067 5.379 -7.189 1.00 . A A . 23 GLY HA2 1 1 8 6708 1 1 23 GLY HA3 H 10.905 3.901 -6.252 1.00 . A A . 23 GLY HA3 1 1 8 6709 1 1 23 GLY N N 9.127 4.818 -6.834 1.00 . A A . 23 GLY N 1 1 8 6710 1 1 23 GLY O O 11.794 3.239 -8.659 1.00 . A A . 23 GLY O 1 1 8 6711 1 1 24 GLY C C 9.029 1.395 -10.426 1.00 . A A . 24 GLY C 1 1 8 6712 1 1 24 GLY CA C 9.768 2.716 -10.332 1.00 . A A . 24 GLY CA 1 1 8 6713 1 1 24 GLY H H 8.790 3.794 -8.742 1.00 . A A . 24 GLY H 1 1 8 6714 1 1 24 GLY HA2 H 9.391 3.348 -11.122 1.00 . A A . 24 GLY HA2 1 1 8 6715 1 1 24 GLY HA3 H 10.819 2.532 -10.503 1.00 . A A . 24 GLY HA3 1 1 8 6716 1 1 24 GLY N N 9.629 3.421 -9.075 1.00 . A A . 24 GLY N 1 1 8 6717 1 1 24 GLY O O 8.749 0.939 -11.525 1.00 . A A . 24 GLY O 1 1 8 6718 1 1 25 CYS C C 6.499 -0.289 -9.626 1.00 . A A . 25 CYS C 1 1 8 6719 1 1 25 CYS CA C 7.994 -0.536 -9.403 1.00 . A A . 25 CYS CA 1 1 8 6720 1 1 25 CYS CB C 8.211 -1.459 -8.186 1.00 . A A . 25 CYS CB 1 1 8 6721 1 1 25 CYS H H 9.109 1.087 -8.462 1.00 . A A . 25 CYS H 1 1 8 6722 1 1 25 CYS HA H 8.369 -1.031 -10.286 1.00 . A A . 25 CYS HA 1 1 8 6723 1 1 25 CYS HB2 H 7.786 -2.426 -8.406 1.00 . A A . 25 CYS HB2 1 1 8 6724 1 1 25 CYS HB3 H 9.273 -1.589 -8.036 1.00 . A A . 25 CYS HB3 1 1 8 6725 1 1 25 CYS N N 8.746 0.739 -9.304 1.00 . A A . 25 CYS N 1 1 8 6726 1 1 25 CYS O O 5.800 -1.142 -10.171 1.00 . A A . 25 CYS O 1 1 8 6727 1 1 25 CYS SG S 7.485 -0.900 -6.623 1.00 . A A . 25 CYS SG 1 1 8 6728 1 1 26 ASP C C 3.657 0.326 -8.619 1.00 . A A . 26 ASP C 1 1 8 6729 1 1 26 ASP CA C 4.594 1.328 -9.298 1.00 . A A . 26 ASP CA 1 1 8 6730 1 1 26 ASP CB C 4.108 1.562 -10.741 1.00 . A A . 26 ASP CB 1 1 8 6731 1 1 26 ASP CG C 4.785 2.713 -11.464 1.00 . A A . 26 ASP CG 1 1 8 6732 1 1 26 ASP H H 6.701 1.617 -9.069 1.00 . A A . 26 ASP H 1 1 8 6733 1 1 26 ASP HA H 4.512 2.251 -8.749 1.00 . A A . 26 ASP HA 1 1 8 6734 1 1 26 ASP HB2 H 4.273 0.662 -11.313 1.00 . A A . 26 ASP HB2 1 1 8 6735 1 1 26 ASP HB3 H 3.044 1.748 -10.705 1.00 . A A . 26 ASP HB3 1 1 8 6736 1 1 26 ASP N N 6.040 0.923 -9.249 1.00 . A A . 26 ASP N 1 1 8 6737 1 1 26 ASP O O 2.429 0.387 -8.797 1.00 . A A . 26 ASP O 1 1 8 6738 1 1 26 ASP OD1 O 5.896 2.508 -12.037 1.00 . A A . 26 ASP OD1 1 1 8 6739 1 1 26 ASP OD2 O 4.198 3.815 -11.534 1.00 . A A . 26 ASP OD2 1 1 8 6740 1 1 27 GLU C C 2.687 -0.981 -6.002 1.00 . A A . 27 GLU C 1 1 8 6741 1 1 27 GLU CA C 3.442 -1.552 -7.175 1.00 . A A . 27 GLU CA 1 1 8 6742 1 1 27 GLU CB C 4.333 -2.730 -6.760 1.00 . A A . 27 GLU CB 1 1 8 6743 1 1 27 GLU CD C 5.859 -4.614 -7.568 1.00 . A A . 27 GLU CD 1 1 8 6744 1 1 27 GLU CG C 5.019 -3.407 -7.946 1.00 . A A . 27 GLU CG 1 1 8 6745 1 1 27 GLU H H 5.156 -0.408 -7.625 1.00 . A A . 27 GLU H 1 1 8 6746 1 1 27 GLU HA H 2.717 -1.904 -7.895 1.00 . A A . 27 GLU HA 1 1 8 6747 1 1 27 GLU HB2 H 5.076 -2.376 -6.059 1.00 . A A . 27 GLU HB2 1 1 8 6748 1 1 27 GLU HB3 H 3.719 -3.458 -6.258 1.00 . A A . 27 GLU HB3 1 1 8 6749 1 1 27 GLU HG2 H 4.259 -3.728 -8.643 1.00 . A A . 27 GLU HG2 1 1 8 6750 1 1 27 GLU HG3 H 5.655 -2.681 -8.431 1.00 . A A . 27 GLU HG3 1 1 8 6751 1 1 27 GLU N N 4.207 -0.530 -7.809 1.00 . A A . 27 GLU N 1 1 8 6752 1 1 27 GLU O O 3.164 -0.024 -5.335 1.00 . A A . 27 GLU O 1 1 8 6753 1 1 27 GLU OE1 O 7.032 -4.441 -7.185 1.00 . A A . 27 GLU OE1 1 1 8 6754 1 1 27 GLU OE2 O 5.361 -5.764 -7.694 1.00 . A A . 27 GLU OE2 1 1 8 6755 1 1 28 TRP C C 0.888 -1.985 -3.501 1.00 . A A . 28 TRP C 1 1 8 6756 1 1 28 TRP CA C 0.686 -1.090 -4.685 1.00 . A A . 28 TRP CA 1 1 8 6757 1 1 28 TRP CB C -0.779 -1.062 -5.053 1.00 . A A . 28 TRP CB 1 1 8 6758 1 1 28 TRP CD1 C -1.161 -0.218 -7.433 1.00 . A A . 28 TRP CD1 1 1 8 6759 1 1 28 TRP CD2 C -1.631 1.268 -5.844 1.00 . A A . 28 TRP CD2 1 1 8 6760 1 1 28 TRP CE2 C -1.887 1.854 -7.086 1.00 . A A . 28 TRP CE2 1 1 8 6761 1 1 28 TRP CE3 C -1.863 2.007 -4.698 1.00 . A A . 28 TRP CE3 1 1 8 6762 1 1 28 TRP CG C -1.158 -0.056 -6.085 1.00 . A A . 28 TRP CG 1 1 8 6763 1 1 28 TRP CH2 C -2.584 3.845 -6.070 1.00 . A A . 28 TRP CH2 1 1 8 6764 1 1 28 TRP CZ2 C -2.359 3.152 -7.215 1.00 . A A . 28 TRP CZ2 1 1 8 6765 1 1 28 TRP CZ3 C -2.339 3.289 -4.827 1.00 . A A . 28 TRP CZ3 1 1 8 6766 1 1 28 TRP H H 1.189 -2.257 -6.325 1.00 . A A . 28 TRP H 1 1 8 6767 1 1 28 TRP HA H 0.998 -0.090 -4.427 1.00 . A A . 28 TRP HA 1 1 8 6768 1 1 28 TRP HB2 H -1.081 -2.026 -5.433 1.00 . A A . 28 TRP HB2 1 1 8 6769 1 1 28 TRP HB3 H -1.318 -0.817 -4.151 1.00 . A A . 28 TRP HB3 1 1 8 6770 1 1 28 TRP HD1 H -0.868 -1.119 -7.946 1.00 . A A . 28 TRP HD1 1 1 8 6771 1 1 28 TRP HE1 H -1.670 1.049 -9.011 1.00 . A A . 28 TRP HE1 1 1 8 6772 1 1 28 TRP HE3 H -1.676 1.586 -3.719 1.00 . A A . 28 TRP HE3 1 1 8 6773 1 1 28 TRP HH2 H -2.982 4.847 -6.083 1.00 . A A . 28 TRP HH2 1 1 8 6774 1 1 28 TRP HZ2 H -2.550 3.608 -8.174 1.00 . A A . 28 TRP HZ2 1 1 8 6775 1 1 28 TRP HZ3 H -2.536 3.889 -3.957 1.00 . A A . 28 TRP HZ3 1 1 8 6776 1 1 28 TRP N N 1.513 -1.520 -5.769 1.00 . A A . 28 TRP N 1 1 8 6777 1 1 28 TRP NE1 N -1.591 0.931 -8.039 1.00 . A A . 28 TRP NE1 1 1 8 6778 1 1 28 TRP O O 0.896 -3.219 -3.634 1.00 . A A . 28 TRP O 1 1 8 6779 1 1 29 PHE C C 0.248 -1.744 -0.128 1.00 . A A . 29 PHE C 1 1 8 6780 1 1 29 PHE CA C 1.307 -2.086 -1.151 1.00 . A A . 29 PHE CA 1 1 8 6781 1 1 29 PHE CB C 2.607 -1.631 -0.547 1.00 . A A . 29 PHE CB 1 1 8 6782 1 1 29 PHE CD1 C 4.352 -2.457 -2.142 1.00 . A A . 29 PHE CD1 1 1 8 6783 1 1 29 PHE CD2 C 4.163 -0.117 -1.711 1.00 . A A . 29 PHE CD2 1 1 8 6784 1 1 29 PHE CE1 C 5.400 -2.205 -2.995 1.00 . A A . 29 PHE CE1 1 1 8 6785 1 1 29 PHE CE2 C 5.197 0.128 -2.540 1.00 . A A . 29 PHE CE2 1 1 8 6786 1 1 29 PHE CG C 3.721 -1.408 -1.490 1.00 . A A . 29 PHE CG 1 1 8 6787 1 1 29 PHE CZ C 5.819 -0.904 -3.189 1.00 . A A . 29 PHE CZ 1 1 8 6788 1 1 29 PHE H H 1.043 -0.396 -2.399 1.00 . A A . 29 PHE H 1 1 8 6789 1 1 29 PHE HA H 1.366 -3.149 -1.335 1.00 . A A . 29 PHE HA 1 1 8 6790 1 1 29 PHE HB2 H 2.426 -0.703 -0.027 1.00 . A A . 29 PHE HB2 1 1 8 6791 1 1 29 PHE HB3 H 2.916 -2.364 0.180 1.00 . A A . 29 PHE HB3 1 1 8 6792 1 1 29 PHE HD1 H 4.016 -3.476 -1.997 1.00 . A A . 29 PHE HD1 1 1 8 6793 1 1 29 PHE HD2 H 3.688 0.727 -1.229 1.00 . A A . 29 PHE HD2 1 1 8 6794 1 1 29 PHE HE1 H 5.893 -3.017 -3.506 1.00 . A A . 29 PHE HE1 1 1 8 6795 1 1 29 PHE HE2 H 5.517 1.148 -2.675 1.00 . A A . 29 PHE HE2 1 1 8 6796 1 1 29 PHE HZ H 6.645 -0.675 -3.842 1.00 . A A . 29 PHE HZ 1 1 8 6797 1 1 29 PHE N N 1.056 -1.378 -2.368 1.00 . A A . 29 PHE N 1 1 8 6798 1 1 29 PHE O O -0.572 -0.883 -0.354 1.00 . A A . 29 PHE O 1 1 8 6799 1 1 30 HIS C C 0.420 -1.256 2.977 1.00 . A A . 30 HIS C 1 1 8 6800 1 1 30 HIS CA C -0.538 -2.031 2.111 1.00 . A A . 30 HIS CA 1 1 8 6801 1 1 30 HIS CB C -1.056 -3.200 2.945 1.00 . A A . 30 HIS CB 1 1 8 6802 1 1 30 HIS CD2 C -3.309 -4.314 2.293 1.00 . A A . 30 HIS CD2 1 1 8 6803 1 1 30 HIS CE1 C -2.498 -6.154 1.391 1.00 . A A . 30 HIS CE1 1 1 8 6804 1 1 30 HIS CG C -1.962 -4.198 2.287 1.00 . A A . 30 HIS CG 1 1 8 6805 1 1 30 HIS H H 0.923 -3.172 1.016 1.00 . A A . 30 HIS H 1 1 8 6806 1 1 30 HIS HA H -1.341 -1.394 1.774 1.00 . A A . 30 HIS HA 1 1 8 6807 1 1 30 HIS HB2 H -0.201 -3.754 3.296 1.00 . A A . 30 HIS HB2 1 1 8 6808 1 1 30 HIS HB3 H -1.561 -2.785 3.805 1.00 . A A . 30 HIS HB3 1 1 8 6809 1 1 30 HIS HD2 H -4.024 -3.590 2.658 1.00 . A A . 30 HIS HD2 1 1 8 6810 1 1 30 HIS HE1 H -2.426 -7.188 1.067 1.00 . A A . 30 HIS HE1 1 1 8 6811 1 1 30 HIS HE2 H -4.477 -5.721 1.294 1.00 . A A . 30 HIS HE2 1 1 8 6812 1 1 30 HIS N N 0.268 -2.439 0.991 1.00 . A A . 30 HIS N 1 1 8 6813 1 1 30 HIS ND1 N -1.485 -5.347 1.700 1.00 . A A . 30 HIS ND1 1 1 8 6814 1 1 30 HIS NE2 N -3.620 -5.538 1.730 1.00 . A A . 30 HIS NE2 1 1 8 6815 1 1 30 HIS O O 1.567 -1.663 3.103 1.00 . A A . 30 HIS O 1 1 8 6816 1 1 31 GLN C C 1.586 -0.165 5.459 1.00 . A A . 31 GLN C 1 1 8 6817 1 1 31 GLN CA C 0.820 0.665 4.405 1.00 . A A . 31 GLN CA 1 1 8 6818 1 1 31 GLN CB C -0.065 1.670 5.092 1.00 . A A . 31 GLN CB 1 1 8 6819 1 1 31 GLN CD C -0.417 3.886 3.898 1.00 . A A . 31 GLN CD 1 1 8 6820 1 1 31 GLN CG C -0.900 2.469 4.122 1.00 . A A . 31 GLN CG 1 1 8 6821 1 1 31 GLN H H -0.936 0.129 3.379 1.00 . A A . 31 GLN H 1 1 8 6822 1 1 31 GLN HA H 1.517 1.190 3.772 1.00 . A A . 31 GLN HA 1 1 8 6823 1 1 31 GLN HB2 H -0.699 1.183 5.820 1.00 . A A . 31 GLN HB2 1 1 8 6824 1 1 31 GLN HB3 H 0.604 2.352 5.595 1.00 . A A . 31 GLN HB3 1 1 8 6825 1 1 31 GLN HE21 H -1.222 3.900 2.088 1.00 . A A . 31 GLN HE21 1 1 8 6826 1 1 31 GLN HE22 H -0.434 5.350 2.577 1.00 . A A . 31 GLN HE22 1 1 8 6827 1 1 31 GLN HG2 H -0.701 1.945 3.193 1.00 . A A . 31 GLN HG2 1 1 8 6828 1 1 31 GLN HG3 H -1.950 2.449 4.368 1.00 . A A . 31 GLN HG3 1 1 8 6829 1 1 31 GLN N N -0.020 -0.174 3.549 1.00 . A A . 31 GLN N 1 1 8 6830 1 1 31 GLN NE2 N -0.716 4.431 2.740 1.00 . A A . 31 GLN NE2 1 1 8 6831 1 1 31 GLN O O 2.794 -0.065 5.578 1.00 . A A . 31 GLN O 1 1 8 6832 1 1 31 GLN OE1 O 0.179 4.499 4.771 1.00 . A A . 31 GLN OE1 1 1 8 6833 1 1 32 VAL C C 2.465 -2.907 6.734 1.00 . A A . 32 VAL C 1 1 8 6834 1 1 32 VAL CA C 1.473 -1.825 7.231 1.00 . A A . 32 VAL CA 1 1 8 6835 1 1 32 VAL CB C 0.387 -2.502 8.113 1.00 . A A . 32 VAL CB 1 1 8 6836 1 1 32 VAL CG1 C -0.492 -1.461 8.794 1.00 . A A . 32 VAL CG1 1 1 8 6837 1 1 32 VAL CG2 C -0.459 -3.469 7.288 1.00 . A A . 32 VAL CG2 1 1 8 6838 1 1 32 VAL H H -0.066 -1.175 5.955 1.00 . A A . 32 VAL H 1 1 8 6839 1 1 32 VAL HA H 2.023 -1.143 7.858 1.00 . A A . 32 VAL HA 1 1 8 6840 1 1 32 VAL HB H 0.894 -3.061 8.886 1.00 . A A . 32 VAL HB 1 1 8 6841 1 1 32 VAL HG11 H -1.003 -0.875 8.046 1.00 . A A . 32 VAL HG11 1 1 8 6842 1 1 32 VAL HG12 H 0.117 -0.819 9.414 1.00 . A A . 32 VAL HG12 1 1 8 6843 1 1 32 VAL HG13 H -1.219 -1.968 9.410 1.00 . A A . 32 VAL HG13 1 1 8 6844 1 1 32 VAL HG21 H -0.924 -2.927 6.477 1.00 . A A . 32 VAL HG21 1 1 8 6845 1 1 32 VAL HG22 H -1.210 -3.937 7.907 1.00 . A A . 32 VAL HG22 1 1 8 6846 1 1 32 VAL HG23 H 0.207 -4.205 6.858 1.00 . A A . 32 VAL HG23 1 1 8 6847 1 1 32 VAL N N 0.880 -1.029 6.150 1.00 . A A . 32 VAL N 1 1 8 6848 1 1 32 VAL O O 3.411 -3.236 7.431 1.00 . A A . 32 VAL O 1 1 8 6849 1 1 33 CYS C C 4.421 -4.133 4.487 1.00 . A A . 33 CYS C 1 1 8 6850 1 1 33 CYS CA C 3.067 -4.567 5.080 1.00 . A A . 33 CYS CA 1 1 8 6851 1 1 33 CYS CB C 2.277 -5.426 4.073 1.00 . A A . 33 CYS CB 1 1 8 6852 1 1 33 CYS H H 1.652 -3.020 4.885 1.00 . A A . 33 CYS H 1 1 8 6853 1 1 33 CYS HA H 3.276 -5.174 5.951 1.00 . A A . 33 CYS HA 1 1 8 6854 1 1 33 CYS HB2 H 2.896 -6.237 3.743 1.00 . A A . 33 CYS HB2 1 1 8 6855 1 1 33 CYS HB3 H 1.333 -5.771 4.460 1.00 . A A . 33 CYS HB3 1 1 8 6856 1 1 33 CYS N N 2.275 -3.425 5.523 1.00 . A A . 33 CYS N 1 1 8 6857 1 1 33 CYS O O 5.357 -4.931 4.395 1.00 . A A . 33 CYS O 1 1 8 6858 1 1 33 CYS SG S 1.866 -4.570 2.604 1.00 . A A . 33 CYS SG 1 1 8 6859 1 1 34 VAL C C 6.366 -1.311 4.416 1.00 . A A . 34 VAL C 1 1 8 6860 1 1 34 VAL CA C 5.688 -2.370 3.478 1.00 . A A . 34 VAL CA 1 1 8 6861 1 1 34 VAL CB C 5.343 -1.757 2.094 1.00 . A A . 34 VAL CB 1 1 8 6862 1 1 34 VAL CG1 C 4.457 -0.542 2.205 1.00 . A A . 34 VAL CG1 1 1 8 6863 1 1 34 VAL CG2 C 6.575 -1.437 1.351 1.00 . A A . 34 VAL CG2 1 1 8 6864 1 1 34 VAL H H 3.794 -2.221 4.151 1.00 . A A . 34 VAL H 1 1 8 6865 1 1 34 VAL HA H 6.356 -3.207 3.324 1.00 . A A . 34 VAL HA 1 1 8 6866 1 1 34 VAL HB H 4.783 -2.469 1.503 1.00 . A A . 34 VAL HB 1 1 8 6867 1 1 34 VAL HG11 H 4.286 -0.145 1.212 1.00 . A A . 34 VAL HG11 1 1 8 6868 1 1 34 VAL HG12 H 5.005 0.190 2.776 1.00 . A A . 34 VAL HG12 1 1 8 6869 1 1 34 VAL HG13 H 3.505 -0.761 2.677 1.00 . A A . 34 VAL HG13 1 1 8 6870 1 1 34 VAL HG21 H 6.318 -0.957 0.423 1.00 . A A . 34 VAL HG21 1 1 8 6871 1 1 34 VAL HG22 H 7.096 -2.370 1.212 1.00 . A A . 34 VAL HG22 1 1 8 6872 1 1 34 VAL HG23 H 7.107 -0.789 2.032 1.00 . A A . 34 VAL HG23 1 1 8 6873 1 1 34 VAL N N 4.511 -2.878 4.076 1.00 . A A . 34 VAL N 1 1 8 6874 1 1 34 VAL O O 7.408 -0.744 4.099 1.00 . A A . 34 VAL O 1 1 8 6875 1 1 35 GLY C C 6.053 1.324 6.149 1.00 . A A . 35 GLY C 1 1 8 6876 1 1 35 GLY CA C 6.330 -0.141 6.534 1.00 . A A . 35 GLY CA 1 1 8 6877 1 1 35 GLY H H 5.147 -1.804 5.901 1.00 . A A . 35 GLY H 1 1 8 6878 1 1 35 GLY HA2 H 5.905 -0.309 7.511 1.00 . A A . 35 GLY HA2 1 1 8 6879 1 1 35 GLY HA3 H 7.396 -0.282 6.611 1.00 . A A . 35 GLY HA3 1 1 8 6880 1 1 35 GLY N N 5.809 -1.143 5.614 1.00 . A A . 35 GLY N 1 1 8 6881 1 1 35 GLY O O 6.978 2.148 6.126 1.00 . A A . 35 GLY O 1 1 8 6882 1 1 36 VAL C C 3.588 3.516 6.710 1.00 . A A . 36 VAL C 1 1 8 6883 1 1 36 VAL CA C 4.438 3.022 5.547 1.00 . A A . 36 VAL CA 1 1 8 6884 1 1 36 VAL CB C 3.544 3.171 4.261 1.00 . A A . 36 VAL CB 1 1 8 6885 1 1 36 VAL CG1 C 3.200 4.561 3.951 1.00 . A A . 36 VAL CG1 1 1 8 6886 1 1 36 VAL CG2 C 4.159 2.639 3.071 1.00 . A A . 36 VAL CG2 1 1 8 6887 1 1 36 VAL H H 4.145 0.938 5.726 1.00 . A A . 36 VAL H 1 1 8 6888 1 1 36 VAL HA H 5.331 3.619 5.440 1.00 . A A . 36 VAL HA 1 1 8 6889 1 1 36 VAL HB H 2.631 2.625 4.432 1.00 . A A . 36 VAL HB 1 1 8 6890 1 1 36 VAL HG11 H 4.104 5.062 3.636 1.00 . A A . 36 VAL HG11 1 1 8 6891 1 1 36 VAL HG12 H 2.727 5.033 4.797 1.00 . A A . 36 VAL HG12 1 1 8 6892 1 1 36 VAL HG13 H 2.520 4.482 3.115 1.00 . A A . 36 VAL HG13 1 1 8 6893 1 1 36 VAL HG21 H 3.858 1.624 2.878 1.00 . A A . 36 VAL HG21 1 1 8 6894 1 1 36 VAL HG22 H 5.220 2.829 3.039 1.00 . A A . 36 VAL HG22 1 1 8 6895 1 1 36 VAL HG23 H 3.715 3.321 2.350 1.00 . A A . 36 VAL HG23 1 1 8 6896 1 1 36 VAL N N 4.831 1.639 5.812 1.00 . A A . 36 VAL N 1 1 8 6897 1 1 36 VAL O O 2.907 2.733 7.372 1.00 . A A . 36 VAL O 1 1 8 6898 1 1 37 SER C C 1.981 6.449 7.018 1.00 . A A . 37 SER C 1 1 8 6899 1 1 37 SER CA C 2.752 5.428 7.875 1.00 . A A . 37 SER CA 1 1 8 6900 1 1 37 SER CB C 3.566 6.131 8.975 1.00 . A A . 37 SER CB 1 1 8 6901 1 1 37 SER H H 4.201 5.472 6.556 1.00 . A A . 37 SER H 1 1 8 6902 1 1 37 SER HA H 2.071 4.698 8.291 1.00 . A A . 37 SER HA 1 1 8 6903 1 1 37 SER HB2 H 4.188 6.897 8.533 1.00 . A A . 37 SER HB2 1 1 8 6904 1 1 37 SER HB3 H 2.903 6.585 9.694 1.00 . A A . 37 SER HB3 1 1 8 6905 1 1 37 SER HG H 4.265 4.321 9.300 1.00 . A A . 37 SER HG 1 1 8 6906 1 1 37 SER N N 3.630 4.788 6.958 1.00 . A A . 37 SER N 1 1 8 6907 1 1 37 SER O O 2.570 6.993 6.057 1.00 . A A . 37 SER O 1 1 8 6908 1 1 37 SER OG O 4.414 5.216 9.645 1.00 . A A . 37 SER OG 1 1 8 6909 1 1 38 PRO C C 0.465 8.875 6.000 1.00 . A A . 38 PRO C 1 1 8 6910 1 1 38 PRO CA C -0.202 7.582 6.499 1.00 . A A . 38 PRO CA 1 1 8 6911 1 1 38 PRO CB C -1.355 7.930 7.474 1.00 . A A . 38 PRO CB 1 1 8 6912 1 1 38 PRO CD C -0.024 6.186 8.485 1.00 . A A . 38 PRO CD 1 1 8 6913 1 1 38 PRO CG C -1.009 7.281 8.785 1.00 . A A . 38 PRO CG 1 1 8 6914 1 1 38 PRO HA H -0.595 7.062 5.635 1.00 . A A . 38 PRO HA 1 1 8 6915 1 1 38 PRO HB2 H -1.377 9.002 7.593 1.00 . A A . 38 PRO HB2 1 1 8 6916 1 1 38 PRO HB3 H -2.302 7.583 7.089 1.00 . A A . 38 PRO HB3 1 1 8 6917 1 1 38 PRO HD2 H 0.646 6.043 9.321 1.00 . A A . 38 PRO HD2 1 1 8 6918 1 1 38 PRO HD3 H -0.534 5.267 8.236 1.00 . A A . 38 PRO HD3 1 1 8 6919 1 1 38 PRO HG2 H -0.551 8.016 9.432 1.00 . A A . 38 PRO HG2 1 1 8 6920 1 1 38 PRO HG3 H -1.896 6.875 9.251 1.00 . A A . 38 PRO HG3 1 1 8 6921 1 1 38 PRO N N 0.692 6.713 7.325 1.00 . A A . 38 PRO N 1 1 8 6922 1 1 38 PRO O O 0.491 9.144 4.794 1.00 . A A . 38 PRO O 1 1 8 6923 1 1 39 GLU C C 2.830 10.724 5.613 1.00 . A A . 39 GLU C 1 1 8 6924 1 1 39 GLU CA C 1.678 10.893 6.596 1.00 . A A . 39 GLU CA 1 1 8 6925 1 1 39 GLU CB C 2.190 11.566 7.860 1.00 . A A . 39 GLU CB 1 1 8 6926 1 1 39 GLU CD C 0.008 12.713 8.446 1.00 . A A . 39 GLU CD 1 1 8 6927 1 1 39 GLU CG C 1.123 11.803 8.914 1.00 . A A . 39 GLU CG 1 1 8 6928 1 1 39 GLU H H 1.056 9.253 7.831 1.00 . A A . 39 GLU H 1 1 8 6929 1 1 39 GLU HA H 0.920 11.520 6.153 1.00 . A A . 39 GLU HA 1 1 8 6930 1 1 39 GLU HB2 H 2.965 10.952 8.295 1.00 . A A . 39 GLU HB2 1 1 8 6931 1 1 39 GLU HB3 H 2.609 12.522 7.582 1.00 . A A . 39 GLU HB3 1 1 8 6932 1 1 39 GLU HG2 H 0.696 10.851 9.192 1.00 . A A . 39 GLU HG2 1 1 8 6933 1 1 39 GLU HG3 H 1.608 12.252 9.766 1.00 . A A . 39 GLU HG3 1 1 8 6934 1 1 39 GLU N N 1.064 9.611 6.919 1.00 . A A . 39 GLU N 1 1 8 6935 1 1 39 GLU O O 3.051 11.565 4.765 1.00 . A A . 39 GLU O 1 1 8 6936 1 1 39 GLU OE1 O -0.964 12.220 7.851 1.00 . A A . 39 GLU OE1 1 1 8 6937 1 1 39 GLU OE2 O 0.091 13.918 8.685 1.00 . A A . 39 GLU OE2 1 1 8 6938 1 1 40 MET C C 4.350 9.208 3.435 1.00 . A A . 40 MET C 1 1 8 6939 1 1 40 MET CA C 4.699 9.400 4.889 1.00 . A A . 40 MET CA 1 1 8 6940 1 1 40 MET CB C 5.519 8.205 5.383 1.00 . A A . 40 MET CB 1 1 8 6941 1 1 40 MET CE C 8.460 9.396 5.793 1.00 . A A . 40 MET CE 1 1 8 6942 1 1 40 MET CG C 6.065 8.359 6.787 1.00 . A A . 40 MET CG 1 1 8 6943 1 1 40 MET H H 3.139 8.898 6.262 1.00 . A A . 40 MET H 1 1 8 6944 1 1 40 MET HA H 5.305 10.288 4.974 1.00 . A A . 40 MET HA 1 1 8 6945 1 1 40 MET HB2 H 4.884 7.336 5.358 1.00 . A A . 40 MET HB2 1 1 8 6946 1 1 40 MET HB3 H 6.347 8.050 4.708 1.00 . A A . 40 MET HB3 1 1 8 6947 1 1 40 MET HE1 H 9.210 10.172 5.819 1.00 . A A . 40 MET HE1 1 1 8 6948 1 1 40 MET HE2 H 8.042 9.328 4.801 1.00 . A A . 40 MET HE2 1 1 8 6949 1 1 40 MET HE3 H 8.913 8.453 6.066 1.00 . A A . 40 MET HE3 1 1 8 6950 1 1 40 MET HG2 H 5.237 8.480 7.468 1.00 . A A . 40 MET HG2 1 1 8 6951 1 1 40 MET HG3 H 6.611 7.467 7.049 1.00 . A A . 40 MET HG3 1 1 8 6952 1 1 40 MET N N 3.511 9.607 5.699 1.00 . A A . 40 MET N 1 1 8 6953 1 1 40 MET O O 4.913 9.868 2.580 1.00 . A A . 40 MET O 1 1 8 6954 1 1 40 MET SD S 7.150 9.785 6.964 1.00 . A A . 40 MET SD 1 1 8 6955 1 1 41 ALA C C 2.154 9.107 1.149 1.00 . A A . 41 ALA C 1 1 8 6956 1 1 41 ALA CA C 3.014 8.029 1.782 1.00 . A A . 41 ALA CA 1 1 8 6957 1 1 41 ALA CB C 2.254 6.759 1.739 1.00 . A A . 41 ALA CB 1 1 8 6958 1 1 41 ALA H H 2.948 7.830 3.879 1.00 . A A . 41 ALA H 1 1 8 6959 1 1 41 ALA HA H 3.909 7.893 1.194 1.00 . A A . 41 ALA HA 1 1 8 6960 1 1 41 ALA HB1 H 1.415 6.875 2.415 1.00 . A A . 41 ALA HB1 1 1 8 6961 1 1 41 ALA HB2 H 2.875 5.899 1.973 1.00 . A A . 41 ALA HB2 1 1 8 6962 1 1 41 ALA HB3 H 1.871 6.675 0.734 1.00 . A A . 41 ALA HB3 1 1 8 6963 1 1 41 ALA N N 3.400 8.329 3.161 1.00 . A A . 41 ALA N 1 1 8 6964 1 1 41 ALA O O 2.154 9.260 -0.064 1.00 . A A . 41 ALA O 1 1 8 6965 1 1 42 GLU C C 1.249 12.131 1.167 1.00 . A A . 42 GLU C 1 1 8 6966 1 1 42 GLU CA C 0.522 10.807 1.355 1.00 . A A . 42 GLU CA 1 1 8 6967 1 1 42 GLU CB C -0.732 11.010 2.215 1.00 . A A . 42 GLU CB 1 1 8 6968 1 1 42 GLU CD C -2.839 10.048 3.195 1.00 . A A . 42 GLU CD 1 1 8 6969 1 1 42 GLU CG C -1.596 9.765 2.385 1.00 . A A . 42 GLU CG 1 1 8 6970 1 1 42 GLU H H 1.420 9.747 2.910 1.00 . A A . 42 GLU H 1 1 8 6971 1 1 42 GLU HA H 0.218 10.406 0.397 1.00 . A A . 42 GLU HA 1 1 8 6972 1 1 42 GLU HB2 H -0.425 11.328 3.200 1.00 . A A . 42 GLU HB2 1 1 8 6973 1 1 42 GLU HB3 H -1.339 11.781 1.762 1.00 . A A . 42 GLU HB3 1 1 8 6974 1 1 42 GLU HG2 H -1.891 9.401 1.413 1.00 . A A . 42 GLU HG2 1 1 8 6975 1 1 42 GLU HG3 H -1.017 9.005 2.890 1.00 . A A . 42 GLU HG3 1 1 8 6976 1 1 42 GLU N N 1.399 9.826 1.934 1.00 . A A . 42 GLU N 1 1 8 6977 1 1 42 GLU O O 0.831 12.983 0.380 1.00 . A A . 42 GLU O 1 1 8 6978 1 1 42 GLU OE1 O -3.872 10.439 2.599 1.00 . A A . 42 GLU OE1 1 1 8 6979 1 1 42 GLU OE2 O -2.809 9.914 4.422 1.00 . A A . 42 GLU OE2 1 1 8 6980 1 1 43 ASN C C 4.289 13.583 0.927 1.00 . A A . 43 ASN C 1 1 8 6981 1 1 43 ASN CA C 3.060 13.591 1.839 1.00 . A A . 43 ASN CA 1 1 8 6982 1 1 43 ASN CB C 3.437 14.091 3.239 1.00 . A A . 43 ASN CB 1 1 8 6983 1 1 43 ASN CG C 3.972 15.517 3.248 1.00 . A A . 43 ASN CG 1 1 8 6984 1 1 43 ASN H H 2.567 11.525 2.457 1.00 . A A . 43 ASN H 1 1 8 6985 1 1 43 ASN HA H 2.368 14.301 1.409 1.00 . A A . 43 ASN HA 1 1 8 6986 1 1 43 ASN HB2 H 2.582 14.048 3.893 1.00 . A A . 43 ASN HB2 1 1 8 6987 1 1 43 ASN HB3 H 4.214 13.439 3.613 1.00 . A A . 43 ASN HB3 1 1 8 6988 1 1 43 ASN HD21 H 5.815 14.868 3.027 1.00 . A A . 43 ASN HD21 1 1 8 6989 1 1 43 ASN HD22 H 5.638 16.567 3.123 1.00 . A A . 43 ASN HD22 1 1 8 6990 1 1 43 ASN N N 2.344 12.301 1.889 1.00 . A A . 43 ASN N 1 1 8 6991 1 1 43 ASN ND2 N 5.254 15.666 3.120 1.00 . A A . 43 ASN ND2 1 1 8 6992 1 1 43 ASN O O 4.509 14.547 0.184 1.00 . A A . 43 ASN O 1 1 8 6993 1 1 43 ASN OD1 O 3.213 16.484 3.379 1.00 . A A . 43 ASN OD1 1 1 8 6994 1 1 44 GLU C C 6.312 11.283 -0.712 1.00 . A A . 44 GLU C 1 1 8 6995 1 1 44 GLU CA C 6.284 12.519 0.146 1.00 . A A . 44 GLU CA 1 1 8 6996 1 1 44 GLU CB C 7.590 12.645 0.984 1.00 . A A . 44 GLU CB 1 1 8 6997 1 1 44 GLU CD C 8.895 14.150 2.585 1.00 . A A . 44 GLU CD 1 1 8 6998 1 1 44 GLU CG C 7.576 13.837 1.930 1.00 . A A . 44 GLU CG 1 1 8 6999 1 1 44 GLU H H 4.832 11.737 1.488 1.00 . A A . 44 GLU H 1 1 8 7000 1 1 44 GLU HA H 6.188 13.388 -0.487 1.00 . A A . 44 GLU HA 1 1 8 7001 1 1 44 GLU HB2 H 7.729 11.740 1.558 1.00 . A A . 44 GLU HB2 1 1 8 7002 1 1 44 GLU HB3 H 8.431 12.755 0.316 1.00 . A A . 44 GLU HB3 1 1 8 7003 1 1 44 GLU HG2 H 7.257 14.717 1.393 1.00 . A A . 44 GLU HG2 1 1 8 7004 1 1 44 GLU HG3 H 6.858 13.608 2.701 1.00 . A A . 44 GLU HG3 1 1 8 7005 1 1 44 GLU N N 5.081 12.531 0.962 1.00 . A A . 44 GLU N 1 1 8 7006 1 1 44 GLU O O 5.555 10.345 -0.463 1.00 . A A . 44 GLU O 1 1 8 7007 1 1 44 GLU OE1 O 9.428 13.310 3.348 1.00 . A A . 44 GLU OE1 1 1 8 7008 1 1 44 GLU OE2 O 9.398 15.283 2.398 1.00 . A A . 44 GLU OE2 1 1 8 7009 1 1 45 ASP C C 7.733 8.917 -1.881 1.00 . A A . 45 ASP C 1 1 8 7010 1 1 45 ASP CA C 7.310 10.157 -2.631 1.00 . A A . 45 ASP CA 1 1 8 7011 1 1 45 ASP CB C 8.284 10.495 -3.800 1.00 . A A . 45 ASP CB 1 1 8 7012 1 1 45 ASP CG C 9.697 10.898 -3.370 1.00 . A A . 45 ASP CG 1 1 8 7013 1 1 45 ASP H H 7.765 12.047 -1.908 1.00 . A A . 45 ASP H 1 1 8 7014 1 1 45 ASP HA H 6.328 9.974 -3.044 1.00 . A A . 45 ASP HA 1 1 8 7015 1 1 45 ASP HB2 H 8.373 9.643 -4.456 1.00 . A A . 45 ASP HB2 1 1 8 7016 1 1 45 ASP HB3 H 7.851 11.315 -4.355 1.00 . A A . 45 ASP HB3 1 1 8 7017 1 1 45 ASP N N 7.173 11.288 -1.718 1.00 . A A . 45 ASP N 1 1 8 7018 1 1 45 ASP O O 8.791 8.893 -1.228 1.00 . A A . 45 ASP O 1 1 8 7019 1 1 45 ASP OD1 O 9.849 12.017 -2.821 1.00 . A A . 45 ASP OD1 1 1 8 7020 1 1 45 ASP OD2 O 10.672 10.148 -3.652 1.00 . A A . 45 ASP OD2 1 1 8 7021 1 1 46 TYR C C 7.933 5.682 -2.018 1.00 . A A . 46 TYR C 1 1 8 7022 1 1 46 TYR CA C 7.210 6.721 -1.186 1.00 . A A . 46 TYR CA 1 1 8 7023 1 1 46 TYR CB C 6.031 6.147 -0.378 1.00 . A A . 46 TYR CB 1 1 8 7024 1 1 46 TYR CD1 C 7.334 5.181 1.580 1.00 . A A . 46 TYR CD1 1 1 8 7025 1 1 46 TYR CD2 C 6.137 3.713 0.165 1.00 . A A . 46 TYR CD2 1 1 8 7026 1 1 46 TYR CE1 C 7.797 4.111 2.322 1.00 . A A . 46 TYR CE1 1 1 8 7027 1 1 46 TYR CE2 C 6.592 2.625 0.882 1.00 . A A . 46 TYR CE2 1 1 8 7028 1 1 46 TYR CG C 6.492 4.983 0.484 1.00 . A A . 46 TYR CG 1 1 8 7029 1 1 46 TYR CZ C 7.422 2.828 1.969 1.00 . A A . 46 TYR CZ 1 1 8 7030 1 1 46 TYR H H 6.111 7.952 -2.512 1.00 . A A . 46 TYR H 1 1 8 7031 1 1 46 TYR HA H 7.970 7.014 -0.480 1.00 . A A . 46 TYR HA 1 1 8 7032 1 1 46 TYR HB2 H 5.639 6.920 0.266 1.00 . A A . 46 TYR HB2 1 1 8 7033 1 1 46 TYR HB3 H 5.260 5.789 -1.044 1.00 . A A . 46 TYR HB3 1 1 8 7034 1 1 46 TYR HD1 H 7.625 6.185 1.848 1.00 . A A . 46 TYR HD1 1 1 8 7035 1 1 46 TYR HD2 H 5.473 3.633 -0.672 1.00 . A A . 46 TYR HD2 1 1 8 7036 1 1 46 TYR HE1 H 8.446 4.286 3.168 1.00 . A A . 46 TYR HE1 1 1 8 7037 1 1 46 TYR HE2 H 6.279 1.636 0.578 1.00 . A A . 46 TYR HE2 1 1 8 7038 1 1 46 TYR HH H 7.750 1.896 3.646 1.00 . A A . 46 TYR HH 1 1 8 7039 1 1 46 TYR N N 6.904 7.892 -1.930 1.00 . A A . 46 TYR N 1 1 8 7040 1 1 46 TYR O O 7.486 5.256 -3.083 1.00 . A A . 46 TYR O 1 1 8 7041 1 1 46 TYR OH O 7.878 1.753 2.701 1.00 . A A . 46 TYR OH 1 1 8 7042 1 1 47 ILE C C 10.008 3.106 -1.367 1.00 . A A . 47 ILE C 1 1 8 7043 1 1 47 ILE CA C 9.944 4.390 -2.171 1.00 . A A . 47 ILE CA 1 1 8 7044 1 1 47 ILE CB C 11.376 5.001 -2.275 1.00 . A A . 47 ILE CB 1 1 8 7045 1 1 47 ILE CD1 C 10.781 6.503 -4.285 1.00 . A A . 47 ILE CD1 1 1 8 7046 1 1 47 ILE CG1 C 11.341 6.425 -2.884 1.00 . A A . 47 ILE CG1 1 1 8 7047 1 1 47 ILE CG2 C 12.301 4.091 -3.078 1.00 . A A . 47 ILE CG2 1 1 8 7048 1 1 47 ILE H H 9.118 5.725 -0.630 1.00 . A A . 47 ILE H 1 1 8 7049 1 1 47 ILE HA H 9.568 4.174 -3.164 1.00 . A A . 47 ILE HA 1 1 8 7050 1 1 47 ILE HB H 11.780 5.057 -1.277 1.00 . A A . 47 ILE HB 1 1 8 7051 1 1 47 ILE HD11 H 11.401 5.928 -4.954 1.00 . A A . 47 ILE HD11 1 1 8 7052 1 1 47 ILE HD12 H 10.768 7.534 -4.604 1.00 . A A . 47 ILE HD12 1 1 8 7053 1 1 47 ILE HD13 H 9.780 6.098 -4.298 1.00 . A A . 47 ILE HD13 1 1 8 7054 1 1 47 ILE HG12 H 10.702 7.039 -2.266 1.00 . A A . 47 ILE HG12 1 1 8 7055 1 1 47 ILE HG13 H 12.344 6.825 -2.894 1.00 . A A . 47 ILE HG13 1 1 8 7056 1 1 47 ILE HG21 H 12.360 3.129 -2.590 1.00 . A A . 47 ILE HG21 1 1 8 7057 1 1 47 ILE HG22 H 13.284 4.526 -3.150 1.00 . A A . 47 ILE HG22 1 1 8 7058 1 1 47 ILE HG23 H 11.904 3.966 -4.074 1.00 . A A . 47 ILE HG23 1 1 8 7059 1 1 47 ILE N N 9.052 5.297 -1.509 1.00 . A A . 47 ILE N 1 1 8 7060 1 1 47 ILE O O 10.331 3.126 -0.183 1.00 . A A . 47 ILE O 1 1 8 7061 1 1 48 CYS C C 11.213 0.274 -1.305 1.00 . A A . 48 CYS C 1 1 8 7062 1 1 48 CYS CA C 9.747 0.719 -1.318 1.00 . A A . 48 CYS CA 1 1 8 7063 1 1 48 CYS CB C 8.901 -0.349 -2.023 1.00 . A A . 48 CYS CB 1 1 8 7064 1 1 48 CYS H H 9.358 2.079 -2.918 1.00 . A A . 48 CYS H 1 1 8 7065 1 1 48 CYS HA H 9.412 0.844 -0.301 1.00 . A A . 48 CYS HA 1 1 8 7066 1 1 48 CYS HB2 H 8.769 -1.163 -1.324 1.00 . A A . 48 CYS HB2 1 1 8 7067 1 1 48 CYS HB3 H 7.926 0.050 -2.262 1.00 . A A . 48 CYS HB3 1 1 8 7068 1 1 48 CYS N N 9.671 1.995 -1.995 1.00 . A A . 48 CYS N 1 1 8 7069 1 1 48 CYS O O 12.035 0.816 -2.063 1.00 . A A . 48 CYS O 1 1 8 7070 1 1 48 CYS SG S 9.639 -1.056 -3.538 1.00 . A A . 48 CYS SG 1 1 8 7071 1 1 49 ILE C C 13.458 -1.792 -1.685 1.00 . A A . 49 ILE C 1 1 8 7072 1 1 49 ILE CA C 12.895 -1.215 -0.393 1.00 . A A . 49 ILE CA 1 1 8 7073 1 1 49 ILE CB C 13.022 -2.157 0.785 1.00 . A A . 49 ILE CB 1 1 8 7074 1 1 49 ILE CD1 C 12.690 -4.500 -0.215 1.00 . A A . 49 ILE CD1 1 1 8 7075 1 1 49 ILE CG1 C 12.176 -3.392 0.692 1.00 . A A . 49 ILE CG1 1 1 8 7076 1 1 49 ILE CG2 C 12.618 -1.403 1.998 1.00 . A A . 49 ILE CG2 1 1 8 7077 1 1 49 ILE H H 10.862 -1.211 0.018 1.00 . A A . 49 ILE H 1 1 8 7078 1 1 49 ILE HA H 13.465 -0.342 -0.137 1.00 . A A . 49 ILE HA 1 1 8 7079 1 1 49 ILE HB H 14.060 -2.422 0.870 1.00 . A A . 49 ILE HB 1 1 8 7080 1 1 49 ILE HD11 H 13.670 -4.811 0.113 1.00 . A A . 49 ILE HD11 1 1 8 7081 1 1 49 ILE HD12 H 12.752 -4.129 -1.227 1.00 . A A . 49 ILE HD12 1 1 8 7082 1 1 49 ILE HD13 H 12.016 -5.341 -0.183 1.00 . A A . 49 ILE HD13 1 1 8 7083 1 1 49 ILE HG12 H 12.264 -3.667 1.721 1.00 . A A . 49 ILE HG12 1 1 8 7084 1 1 49 ILE HG13 H 11.150 -3.126 0.475 1.00 . A A . 49 ILE HG13 1 1 8 7085 1 1 49 ILE HG21 H 12.623 -2.046 2.866 1.00 . A A . 49 ILE HG21 1 1 8 7086 1 1 49 ILE HG22 H 11.618 -1.094 1.732 1.00 . A A . 49 ILE HG22 1 1 8 7087 1 1 49 ILE HG23 H 13.254 -0.538 2.116 1.00 . A A . 49 ILE HG23 1 1 8 7088 1 1 49 ILE N N 11.532 -0.737 -0.517 1.00 . A A . 49 ILE N 1 1 8 7089 1 1 49 ILE O O 14.662 -1.822 -1.901 1.00 . A A . 49 ILE O 1 1 8 7090 1 1 50 ASN C C 13.437 -1.660 -4.794 1.00 . A A . 50 ASN C 1 1 8 7091 1 1 50 ASN CA C 12.902 -2.753 -3.860 1.00 . A A . 50 ASN CA 1 1 8 7092 1 1 50 ASN CB C 11.684 -3.436 -4.547 1.00 . A A . 50 ASN CB 1 1 8 7093 1 1 50 ASN CG C 11.141 -4.664 -3.829 1.00 . A A . 50 ASN CG 1 1 8 7094 1 1 50 ASN H H 11.647 -2.042 -2.218 1.00 . A A . 50 ASN H 1 1 8 7095 1 1 50 ASN HA H 13.670 -3.494 -3.694 1.00 . A A . 50 ASN HA 1 1 8 7096 1 1 50 ASN HB2 H 10.870 -2.728 -4.609 1.00 . A A . 50 ASN HB2 1 1 8 7097 1 1 50 ASN HB3 H 11.981 -3.716 -5.546 1.00 . A A . 50 ASN HB3 1 1 8 7098 1 1 50 ASN HD21 H 9.311 -4.374 -4.574 1.00 . A A . 50 ASN HD21 1 1 8 7099 1 1 50 ASN HD22 H 9.511 -5.740 -3.544 1.00 . A A . 50 ASN HD22 1 1 8 7100 1 1 50 ASN N N 12.556 -2.188 -2.549 1.00 . A A . 50 ASN N 1 1 8 7101 1 1 50 ASN ND2 N 9.861 -4.945 -4.001 1.00 . A A . 50 ASN ND2 1 1 8 7102 1 1 50 ASN O O 14.233 -1.928 -5.676 1.00 . A A . 50 ASN O 1 1 8 7103 1 1 50 ASN OD1 O 11.863 -5.369 -3.140 1.00 . A A . 50 ASN OD1 1 1 8 7104 1 1 51 CYS C C 14.369 1.605 -4.726 1.00 . A A . 51 CYS C 1 1 8 7105 1 1 51 CYS CA C 13.379 0.688 -5.439 1.00 . A A . 51 CYS CA 1 1 8 7106 1 1 51 CYS CB C 12.124 1.462 -5.872 1.00 . A A . 51 CYS CB 1 1 8 7107 1 1 51 CYS H H 12.415 -0.263 -3.807 1.00 . A A . 51 CYS H 1 1 8 7108 1 1 51 CYS HA H 13.853 0.277 -6.319 1.00 . A A . 51 CYS HA 1 1 8 7109 1 1 51 CYS HB2 H 11.602 1.848 -5.010 1.00 . A A . 51 CYS HB2 1 1 8 7110 1 1 51 CYS HB3 H 12.337 2.283 -6.545 1.00 . A A . 51 CYS HB3 1 1 8 7111 1 1 51 CYS N N 12.996 -0.427 -4.578 1.00 . A A . 51 CYS N 1 1 8 7112 1 1 51 CYS O O 14.844 2.590 -5.290 1.00 . A A . 51 CYS O 1 1 8 7113 1 1 51 CYS SG S 10.934 0.449 -6.734 1.00 . A A . 51 CYS SG 1 1 8 7114 1 1 52 ALA C C 17.026 2.012 -3.256 1.00 . A A . 52 ALA C 1 1 8 7115 1 1 52 ALA CA C 15.617 2.049 -2.665 1.00 . A A . 52 ALA CA 1 1 8 7116 1 1 52 ALA CB C 15.634 1.534 -1.238 1.00 . A A . 52 ALA CB 1 1 8 7117 1 1 52 ALA H H 14.212 0.491 -3.099 1.00 . A A . 52 ALA H 1 1 8 7118 1 1 52 ALA HA H 15.272 3.072 -2.656 1.00 . A A . 52 ALA HA 1 1 8 7119 1 1 52 ALA HB1 H 15.970 0.507 -1.250 1.00 . A A . 52 ALA HB1 1 1 8 7120 1 1 52 ALA HB2 H 14.635 1.575 -0.832 1.00 . A A . 52 ALA HB2 1 1 8 7121 1 1 52 ALA HB3 H 16.310 2.127 -0.638 1.00 . A A . 52 ALA HB3 1 1 8 7122 1 1 52 ALA N N 14.667 1.274 -3.478 1.00 . A A . 52 ALA N 1 1 8 7123 2 2 1 ALA C C 1.246 9.022 -3.889 1.00 . B B . 301 ALA C 1 1 8 7124 2 2 1 ALA CA C 2.747 9.043 -3.654 1.00 . B B . 301 ALA CA 1 1 8 7125 2 2 1 ALA CB C 3.142 7.823 -2.828 1.00 . B B . 301 ALA CB 1 1 8 7126 2 2 1 ALA HA H 3.237 8.979 -4.613 1.00 . B B . 301 ALA HA 1 1 8 7127 2 2 1 ALA HB1 H 2.646 7.841 -1.868 1.00 . B B . 301 ALA HB1 1 1 8 7128 2 2 1 ALA HB2 H 4.211 7.788 -2.699 1.00 . B B . 301 ALA HB2 1 1 8 7129 2 2 1 ALA HB3 H 2.822 6.941 -3.369 1.00 . B B . 301 ALA HB3 1 1 8 7130 2 2 1 ALA N N 3.170 10.313 -2.998 1.00 . B B . 301 ALA N 1 1 8 7131 2 2 1 ALA O O 0.525 9.984 -3.588 1.00 . B B . 301 ALA O 1 1 8 7132 2 2 2 ARG C C -1.116 6.686 -3.723 1.00 . B B . 302 ARG C 1 1 8 7133 2 2 2 ARG CA C -0.612 7.747 -4.661 1.00 . B B . 302 ARG CA 1 1 8 7134 2 2 2 ARG CB C -0.869 7.371 -6.124 1.00 . B B . 302 ARG CB 1 1 8 7135 2 2 2 ARG CD C -0.667 8.053 -8.550 1.00 . B B . 302 ARG CD 1 1 8 7136 2 2 2 ARG CG C -0.435 8.450 -7.099 1.00 . B B . 302 ARG CG 1 1 8 7137 2 2 2 ARG CZ C -0.263 9.082 -10.793 1.00 . B B . 302 ARG CZ 1 1 8 7138 2 2 2 ARG H H 1.407 7.217 -4.670 1.00 . B B . 302 ARG H 1 1 8 7139 2 2 2 ARG HA H -1.113 8.676 -4.433 1.00 . B B . 302 ARG HA 1 1 8 7140 2 2 2 ARG HB2 H -0.352 6.452 -6.357 1.00 . B B . 302 ARG HB2 1 1 8 7141 2 2 2 ARG HB3 H -1.928 7.205 -6.253 1.00 . B B . 302 ARG HB3 1 1 8 7142 2 2 2 ARG HD2 H -0.077 7.177 -8.772 1.00 . B B . 302 ARG HD2 1 1 8 7143 2 2 2 ARG HD3 H -1.713 7.829 -8.684 1.00 . B B . 302 ARG HD3 1 1 8 7144 2 2 2 ARG HE H -0.054 9.980 -8.998 1.00 . B B . 302 ARG HE 1 1 8 7145 2 2 2 ARG HG2 H -0.996 9.349 -6.894 1.00 . B B . 302 ARG HG2 1 1 8 7146 2 2 2 ARG HG3 H 0.617 8.636 -6.946 1.00 . B B . 302 ARG HG3 1 1 8 7147 2 2 2 ARG HH11 H -0.813 7.114 -10.941 1.00 . B B . 302 ARG HH11 1 1 8 7148 2 2 2 ARG HH12 H -0.536 7.886 -12.431 1.00 . B B . 302 ARG HH12 1 1 8 7149 2 2 2 ARG HH21 H 0.261 11.041 -11.045 1.00 . B B . 302 ARG HH21 1 1 8 7150 2 2 2 ARG HH22 H 0.068 10.182 -12.487 1.00 . B B . 302 ARG HH22 1 1 8 7151 2 2 2 ARG N N 0.776 7.932 -4.429 1.00 . B B . 302 ARG N 1 1 8 7152 2 2 2 ARG NE N -0.288 9.140 -9.460 1.00 . B B . 302 ARG NE 1 1 8 7153 2 2 2 ARG NH1 N -0.559 7.955 -11.428 1.00 . B B . 302 ARG NH1 1 1 8 7154 2 2 2 ARG NH2 N 0.044 10.169 -11.486 1.00 . B B . 302 ARG NH2 1 1 8 7155 2 2 2 ARG O O -0.587 5.591 -3.685 1.00 . B B . 302 ARG O 1 1 8 7156 2 2 3 THR C C -4.080 5.804 -2.402 1.00 . B B . 303 THR C 1 1 8 7157 2 2 3 THR CA C -2.651 6.091 -2.020 1.00 . B B . 303 THR CA 1 1 8 7158 2 2 3 THR CB C -2.582 6.647 -0.593 1.00 . B B . 303 THR CB 1 1 8 7159 2 2 3 THR CG2 C -1.167 6.608 -0.089 1.00 . B B . 303 THR CG2 1 1 8 7160 2 2 3 THR H H -2.473 7.921 -2.935 1.00 . B B . 303 THR H 1 1 8 7161 2 2 3 THR HA H -2.063 5.180 -2.062 1.00 . B B . 303 THR HA 1 1 8 7162 2 2 3 THR HB H -3.205 6.042 0.052 1.00 . B B . 303 THR HB 1 1 8 7163 2 2 3 THR HG1 H -3.250 8.249 0.333 1.00 . B B . 303 THR HG1 1 1 8 7164 2 2 3 THR HG21 H -1.122 6.922 0.945 1.00 . B B . 303 THR HG21 1 1 8 7165 2 2 3 THR HG22 H -0.548 7.233 -0.716 1.00 . B B . 303 THR HG22 1 1 8 7166 2 2 3 THR HG23 H -0.860 5.580 -0.192 1.00 . B B . 303 THR HG23 1 1 8 7167 2 2 3 THR N N -2.083 7.019 -2.940 1.00 . B B . 303 THR N 1 1 8 7168 2 2 3 THR O O -4.701 6.589 -3.132 1.00 . B B . 303 THR O 1 1 8 7169 2 2 3 THR OG1 O -3.066 7.998 -0.577 1.00 . B B . 303 THR OG1 1 1 8 7170 2 2 4 . C C -6.568 3.553 -1.133 1.00 . B B . 304 M3L C 1 1 8 7171 2 2 4 . CA C -5.980 4.381 -2.242 1.00 . B B . 304 M3L CA 1 1 8 7172 2 2 4 . CB C -6.168 3.615 -3.584 1.00 . B B . 304 M3L CB 1 1 8 7173 2 2 4 . CD C -5.824 1.397 -4.790 1.00 . B B . 304 M3L CD 1 1 8 7174 2 2 4 . CE C -5.551 2.022 -6.110 1.00 . B B . 304 M3L CE 1 1 8 7175 2 2 4 . CG C -5.457 2.296 -3.620 1.00 . B B . 304 M3L CG 1 1 8 7176 2 2 4 . CM1 C -4.907 -0.176 -7.105 1.00 . B B . 304 M3L CM1 1 1 8 7177 2 2 4 . CM2 C -5.334 1.783 -8.508 1.00 . B B . 304 M3L CM2 1 1 8 7178 2 2 4 . CM3 C -7.137 0.604 -7.392 1.00 . B B . 304 M3L CM3 1 1 8 7179 2 2 4 . H H -4.038 4.105 -1.403 1.00 . B B . 304 M3L H 1 1 8 7180 2 2 4 . HA H -6.526 5.309 -2.293 1.00 . B B . 304 M3L HA 1 1 8 7181 2 2 4 . HB2 H -5.828 4.219 -4.415 1.00 . B B . 304 M3L HB2 1 1 8 7182 2 2 4 . HB3 H -7.210 3.357 -3.665 1.00 . B B . 304 M3L HB3 1 1 8 7183 2 2 4 . HD2 H -6.869 1.139 -4.721 1.00 . B B . 304 M3L HD2 1 1 8 7184 2 2 4 . HD3 H -5.198 0.515 -4.753 1.00 . B B . 304 M3L HD3 1 1 8 7185 2 2 4 . HE2 H -4.544 2.416 -6.112 1.00 . B B . 304 M3L HE2 1 1 8 7186 2 2 4 . HE3 H -6.246 2.846 -6.177 1.00 . B B . 304 M3L HE3 1 1 8 7187 2 2 4 . HG2 H -5.725 1.789 -2.705 1.00 . B B . 304 M3L HG2 1 1 8 7188 2 2 4 . HG3 H -4.392 2.463 -3.657 1.00 . B B . 304 M3L HG3 1 1 8 7189 2 2 4 . HM11 H -5.120 -0.770 -6.222 1.00 . B B . 304 M3L HM11 1 1 8 7190 2 2 4 . HM12 H -3.849 0.040 -7.061 1.00 . B B . 304 M3L HM12 1 1 8 7191 2 2 4 . HM13 H -5.021 -0.851 -7.940 1.00 . B B . 304 M3L HM13 1 1 8 7192 2 2 4 . HM21 H -4.545 2.485 -8.272 1.00 . B B . 304 M3L HM21 1 1 8 7193 2 2 4 . HM22 H -6.127 2.362 -8.957 1.00 . B B . 304 M3L HM22 1 1 8 7194 2 2 4 . HM23 H -4.942 1.132 -9.272 1.00 . B B . 304 M3L HM23 1 1 8 7195 2 2 4 . HM31 H -7.220 -0.470 -7.320 1.00 . B B . 304 M3L HM31 1 1 8 7196 2 2 4 . HM32 H -7.585 0.875 -8.336 1.00 . B B . 304 M3L HM32 1 1 8 7197 2 2 4 . HM33 H -7.784 1.000 -6.624 1.00 . B B . 304 M3L HM33 1 1 8 7198 2 2 4 . N N -4.595 4.702 -1.957 1.00 . B B . 304 M3L N 1 1 8 7199 2 2 4 . NZ N -5.743 1.055 -7.272 1.00 . B B . 304 M3L NZ 1 1 8 7200 2 2 4 . O O -5.868 3.154 -0.193 1.00 . B B . 304 M3L O 1 1 8 7201 2 2 5 GLN C C -9.680 1.829 -1.228 1.00 . B B . 305 GLN C 1 1 8 7202 2 2 5 GLN CA C -8.624 2.463 -0.392 1.00 . B B . 305 GLN CA 1 1 8 7203 2 2 5 GLN CB C -9.259 3.225 0.788 1.00 . B B . 305 GLN CB 1 1 8 7204 2 2 5 GLN CD C -8.916 4.476 2.963 1.00 . B B . 305 GLN CD 1 1 8 7205 2 2 5 GLN CG C -8.275 3.671 1.853 1.00 . B B . 305 GLN CG 1 1 8 7206 2 2 5 GLN H H -8.301 3.714 -2.035 1.00 . B B . 305 GLN H 1 1 8 7207 2 2 5 GLN HA H -7.959 1.696 -0.019 1.00 . B B . 305 GLN HA 1 1 8 7208 2 2 5 GLN HB2 H -9.750 4.108 0.405 1.00 . B B . 305 GLN HB2 1 1 8 7209 2 2 5 GLN HB3 H -9.999 2.591 1.258 1.00 . B B . 305 GLN HB3 1 1 8 7210 2 2 5 GLN HE21 H -7.545 3.859 4.296 1.00 . B B . 305 GLN HE21 1 1 8 7211 2 2 5 GLN HE22 H -8.767 4.921 4.871 1.00 . B B . 305 GLN HE22 1 1 8 7212 2 2 5 GLN HG2 H -7.868 2.773 2.295 1.00 . B B . 305 GLN HG2 1 1 8 7213 2 2 5 GLN HG3 H -7.482 4.242 1.399 1.00 . B B . 305 GLN HG3 1 1 8 7214 2 2 5 GLN N N -7.842 3.309 -1.265 1.00 . B B . 305 GLN N 1 1 8 7215 2 2 5 GLN NE2 N -8.359 4.413 4.148 1.00 . B B . 305 GLN NE2 1 1 8 7216 2 2 5 GLN O O -10.376 2.510 -1.990 1.00 . B B . 305 GLN O 1 1 8 7217 2 2 5 GLN OE1 O -9.905 5.167 2.745 1.00 . B B . 305 GLN OE1 1 1 8 7218 2 2 6 THR C C -11.883 -0.617 -1.092 1.00 . B B . 306 THR C 1 1 8 7219 2 2 6 THR CA C -10.696 -0.181 -1.930 1.00 . B B . 306 THR CA 1 1 8 7220 2 2 6 THR CB C -9.989 -1.404 -2.544 1.00 . B B . 306 THR CB 1 1 8 7221 2 2 6 THR CG2 C -8.887 -0.952 -3.516 1.00 . B B . 306 THR CG2 1 1 8 7222 2 2 6 THR H H -9.197 0.077 -0.507 1.00 . B B . 306 THR H 1 1 8 7223 2 2 6 THR HA H -11.048 0.443 -2.737 1.00 . B B . 306 THR HA 1 1 8 7224 2 2 6 THR HB H -10.721 -1.994 -3.075 1.00 . B B . 306 THR HB 1 1 8 7225 2 2 6 THR HG1 H -10.110 -2.562 -0.946 1.00 . B B . 306 THR HG1 1 1 8 7226 2 2 6 THR HG21 H -8.142 -0.389 -2.968 1.00 . B B . 306 THR HG21 1 1 8 7227 2 2 6 THR HG22 H -9.278 -0.345 -4.319 1.00 . B B . 306 THR HG22 1 1 8 7228 2 2 6 THR HG23 H -8.371 -1.814 -3.918 1.00 . B B . 306 THR HG23 1 1 8 7229 2 2 6 THR N N -9.772 0.556 -1.143 1.00 . B B . 306 THR N 1 1 8 7230 2 2 6 THR O O -11.927 -0.360 0.103 1.00 . B B . 306 THR O 1 1 8 7231 2 2 6 THR OG1 O -9.401 -2.186 -1.481 1.00 . B B . 306 THR OG1 1 1 8 7232 2 2 7 ALA C C -14.313 -3.101 -1.771 1.00 . B B . 307 ALA C 1 1 8 7233 2 2 7 ALA CA C -13.998 -1.809 -1.075 1.00 . B B . 307 ALA CA 1 1 8 7234 2 2 7 ALA CB C -15.177 -0.853 -1.168 1.00 . B B . 307 ALA CB 1 1 8 7235 2 2 7 ALA H H -12.787 -1.372 -2.703 1.00 . B B . 307 ALA H 1 1 8 7236 2 2 7 ALA HA H -13.768 -2.014 -0.037 1.00 . B B . 307 ALA HA 1 1 8 7237 2 2 7 ALA HB1 H -14.924 0.072 -0.672 1.00 . B B . 307 ALA HB1 1 1 8 7238 2 2 7 ALA HB2 H -16.023 -1.308 -0.674 1.00 . B B . 307 ALA HB2 1 1 8 7239 2 2 7 ALA HB3 H -15.423 -0.663 -2.202 1.00 . B B . 307 ALA HB3 1 1 8 7240 2 2 7 ALA N N -12.836 -1.254 -1.732 1.00 . B B . 307 ALA N 1 1 8 7241 2 2 7 ALA O O -14.399 -3.132 -2.997 1.00 . B B . 307 ALA O 1 1 8 7242 2 2 8 ARG C C -16.113 -5.757 -1.928 1.00 . B B . 308 ARG C 1 1 8 7243 2 2 8 ARG CA C -14.661 -5.463 -1.617 1.00 . B B . 308 ARG CA 1 1 8 7244 2 2 8 ARG CB C -14.017 -6.572 -0.776 1.00 . B B . 308 ARG CB 1 1 8 7245 2 2 8 ARG CD C -11.832 -6.488 -2.033 1.00 . B B . 308 ARG CD 1 1 8 7246 2 2 8 ARG CG C -12.494 -6.454 -0.660 1.00 . B B . 308 ARG CG 1 1 8 7247 2 2 8 ARG CZ C -11.905 -7.920 -4.085 1.00 . B B . 308 ARG CZ 1 1 8 7248 2 2 8 ARG H H -14.449 -4.071 -0.049 1.00 . B B . 308 ARG H 1 1 8 7249 2 2 8 ARG HA H -14.154 -5.436 -2.566 1.00 . B B . 308 ARG HA 1 1 8 7250 2 2 8 ARG HB2 H -14.437 -6.551 0.217 1.00 . B B . 308 ARG HB2 1 1 8 7251 2 2 8 ARG HB3 H -14.248 -7.521 -1.236 1.00 . B B . 308 ARG HB3 1 1 8 7252 2 2 8 ARG HD2 H -12.181 -5.645 -2.610 1.00 . B B . 308 ARG HD2 1 1 8 7253 2 2 8 ARG HD3 H -10.766 -6.401 -1.891 1.00 . B B . 308 ARG HD3 1 1 8 7254 2 2 8 ARG HE H -12.480 -8.478 -2.234 1.00 . B B . 308 ARG HE 1 1 8 7255 2 2 8 ARG HG2 H -12.220 -5.524 -0.176 1.00 . B B . 308 ARG HG2 1 1 8 7256 2 2 8 ARG HG3 H -12.116 -7.283 -0.081 1.00 . B B . 308 ARG HG3 1 1 8 7257 2 2 8 ARG HH11 H -11.280 -6.002 -4.480 1.00 . B B . 308 ARG HH11 1 1 8 7258 2 2 8 ARG HH12 H -11.317 -7.031 -5.831 1.00 . B B . 308 ARG HH12 1 1 8 7259 2 2 8 ARG HH21 H -12.535 -9.870 -4.104 1.00 . B B . 308 ARG HH21 1 1 8 7260 2 2 8 ARG HH22 H -12.017 -9.271 -5.613 1.00 . B B . 308 ARG HH22 1 1 8 7261 2 2 8 ARG N N -14.460 -4.160 -1.023 1.00 . B B . 308 ARG N 1 1 8 7262 2 2 8 ARG NE N -12.118 -7.735 -2.771 1.00 . B B . 308 ARG NE 1 1 8 7263 2 2 8 ARG NH1 N -11.469 -6.918 -4.842 1.00 . B B . 308 ARG NH1 1 1 8 7264 2 2 8 ARG NH2 N -12.174 -9.099 -4.636 1.00 . B B . 308 ARG NH2 1 1 8 7265 2 2 8 ARG O O -16.445 -6.084 -3.066 1.00 . B B . 308 ARG O 1 1 8 7266 2 2 9 LYS C C -19.095 -4.857 -2.019 1.00 . B B . 309 LYS C 1 1 8 7267 2 2 9 LYS CA C -18.405 -5.925 -1.156 1.00 . B B . 309 LYS CA 1 1 8 7268 2 2 9 LYS CB C -19.112 -6.055 0.186 1.00 . B B . 309 LYS CB 1 1 8 7269 2 2 9 LYS CD C -19.217 -7.160 2.414 1.00 . B B . 309 LYS CD 1 1 8 7270 2 2 9 LYS CE C -18.607 -8.196 3.329 1.00 . B B . 309 LYS CE 1 1 8 7271 2 2 9 LYS CG C -18.531 -7.135 1.075 1.00 . B B . 309 LYS CG 1 1 8 7272 2 2 9 LYS H H -16.701 -5.311 -0.056 1.00 . B B . 309 LYS H 1 1 8 7273 2 2 9 LYS HA H -18.455 -6.873 -1.671 1.00 . B B . 309 LYS HA 1 1 8 7274 2 2 9 LYS HB2 H -19.039 -5.118 0.716 1.00 . B B . 309 LYS HB2 1 1 8 7275 2 2 9 LYS HB3 H -20.150 -6.292 0.004 1.00 . B B . 309 LYS HB3 1 1 8 7276 2 2 9 LYS HD2 H -19.117 -6.184 2.867 1.00 . B B . 309 LYS HD2 1 1 8 7277 2 2 9 LYS HD3 H -20.264 -7.376 2.272 1.00 . B B . 309 LYS HD3 1 1 8 7278 2 2 9 LYS HE2 H -18.638 -9.159 2.843 1.00 . B B . 309 LYS HE2 1 1 8 7279 2 2 9 LYS HE3 H -17.577 -7.921 3.502 1.00 . B B . 309 LYS HE3 1 1 8 7280 2 2 9 LYS HG2 H -18.660 -8.093 0.592 1.00 . B B . 309 LYS HG2 1 1 8 7281 2 2 9 LYS HG3 H -17.475 -6.955 1.216 1.00 . B B . 309 LYS HG3 1 1 8 7282 2 2 9 LYS HZ1 H -20.321 -8.452 4.470 1.00 . B B . 309 LYS HZ1 1 1 8 7283 2 2 9 LYS HZ2 H -19.246 -7.335 5.108 1.00 . B B . 309 LYS HZ2 1 1 8 7284 2 2 9 LYS HZ3 H -18.915 -8.981 5.243 1.00 . B B . 309 LYS HZ3 1 1 8 7285 2 2 9 LYS N N -16.981 -5.623 -0.952 1.00 . B B . 309 LYS N 1 1 8 7286 2 2 9 LYS NZ N -19.314 -8.252 4.623 1.00 . B B . 309 LYS NZ 1 1 8 7287 3 3 1 ZN ZN ZN 9.091 0.178 -5.401 1.00 . C A . 53 ZN ZN 1 1 8 7288 4 3 1 ZN ZN ZN 0.418 -5.801 1.306 1.00 . D A . 54 ZN ZN 1 1 9 7289 1 1 1 SER C C -4.731 -8.908 -1.924 1.00 . A A . 1 SER C 1 1 9 7290 1 1 1 SER CA C -6.122 -9.104 -2.572 1.00 . A A . 1 SER CA 1 1 9 7291 1 1 1 SER CB C -6.436 -7.960 -3.544 1.00 . A A . 1 SER CB 1 1 9 7292 1 1 1 SER HA H -6.117 -10.042 -3.107 1.00 . A A . 1 SER HA 1 1 9 7293 1 1 1 SER HB2 H -6.480 -7.033 -2.995 1.00 . A A . 1 SER HB2 1 1 9 7294 1 1 1 SER HB3 H -5.658 -7.907 -4.292 1.00 . A A . 1 SER HB3 1 1 9 7295 1 1 1 SER HG H -8.392 -7.780 -3.668 1.00 . A A . 1 SER HG 1 1 9 7296 1 1 1 SER N N -7.198 -9.215 -1.544 1.00 . A A . 1 SER N 1 1 9 7297 1 1 1 SER O O -4.605 -8.355 -0.803 1.00 . A A . 1 SER O 1 1 9 7298 1 1 1 SER OG O -7.689 -8.169 -4.202 1.00 . A A . 1 SER OG 1 1 9 7299 1 1 2 VAL C C -1.599 -8.255 -2.943 1.00 . A A . 2 VAL C 1 1 9 7300 1 1 2 VAL CA C -2.347 -9.302 -2.135 1.00 . A A . 2 VAL CA 1 1 9 7301 1 1 2 VAL CB C -1.612 -10.677 -2.279 1.00 . A A . 2 VAL CB 1 1 9 7302 1 1 2 VAL CG1 C -0.215 -10.646 -1.658 1.00 . A A . 2 VAL CG1 1 1 9 7303 1 1 2 VAL CG2 C -2.429 -11.802 -1.680 1.00 . A A . 2 VAL CG2 1 1 9 7304 1 1 2 VAL H H -3.831 -9.737 -3.514 1.00 . A A . 2 VAL H 1 1 9 7305 1 1 2 VAL HA H -2.388 -9.018 -1.086 1.00 . A A . 2 VAL HA 1 1 9 7306 1 1 2 VAL HB H -1.490 -10.866 -3.334 1.00 . A A . 2 VAL HB 1 1 9 7307 1 1 2 VAL HG11 H 0.400 -9.904 -2.146 1.00 . A A . 2 VAL HG11 1 1 9 7308 1 1 2 VAL HG12 H 0.248 -11.611 -1.777 1.00 . A A . 2 VAL HG12 1 1 9 7309 1 1 2 VAL HG13 H -0.279 -10.414 -0.604 1.00 . A A . 2 VAL HG13 1 1 9 7310 1 1 2 VAL HG21 H -1.891 -12.733 -1.791 1.00 . A A . 2 VAL HG21 1 1 9 7311 1 1 2 VAL HG22 H -3.383 -11.869 -2.184 1.00 . A A . 2 VAL HG22 1 1 9 7312 1 1 2 VAL HG23 H -2.589 -11.600 -0.634 1.00 . A A . 2 VAL HG23 1 1 9 7313 1 1 2 VAL N N -3.704 -9.360 -2.616 1.00 . A A . 2 VAL N 1 1 9 7314 1 1 2 VAL O O -1.861 -8.077 -4.126 1.00 . A A . 2 VAL O 1 1 9 7315 1 1 3 CYS C C 1.478 -7.048 -3.066 1.00 . A A . 3 CYS C 1 1 9 7316 1 1 3 CYS CA C 0.051 -6.499 -2.914 1.00 . A A . 3 CYS CA 1 1 9 7317 1 1 3 CYS CB C 0.105 -5.315 -2.004 1.00 . A A . 3 CYS CB 1 1 9 7318 1 1 3 CYS H H -0.566 -7.759 -1.359 1.00 . A A . 3 CYS H 1 1 9 7319 1 1 3 CYS HA H -0.372 -6.232 -3.872 1.00 . A A . 3 CYS HA 1 1 9 7320 1 1 3 CYS HB2 H 0.251 -4.419 -2.588 1.00 . A A . 3 CYS HB2 1 1 9 7321 1 1 3 CYS HB3 H -0.826 -5.239 -1.460 1.00 . A A . 3 CYS HB3 1 1 9 7322 1 1 3 CYS N N -0.735 -7.543 -2.296 1.00 . A A . 3 CYS N 1 1 9 7323 1 1 3 CYS O O 1.757 -8.155 -2.575 1.00 . A A . 3 CYS O 1 1 9 7324 1 1 3 CYS SG S 1.427 -5.455 -0.813 1.00 . A A . 3 CYS SG 1 1 9 7325 1 1 4 ALA C C 4.716 -6.339 -2.820 1.00 . A A . 4 ALA C 1 1 9 7326 1 1 4 ALA CA C 3.695 -6.895 -3.817 1.00 . A A . 4 ALA CA 1 1 9 7327 1 1 4 ALA CB C 4.198 -6.737 -5.212 1.00 . A A . 4 ALA CB 1 1 9 7328 1 1 4 ALA H H 2.075 -5.413 -3.928 1.00 . A A . 4 ALA H 1 1 9 7329 1 1 4 ALA HA H 3.589 -7.951 -3.628 1.00 . A A . 4 ALA HA 1 1 9 7330 1 1 4 ALA HB1 H 5.122 -7.286 -5.313 1.00 . A A . 4 ALA HB1 1 1 9 7331 1 1 4 ALA HB2 H 4.365 -5.681 -5.358 1.00 . A A . 4 ALA HB2 1 1 9 7332 1 1 4 ALA HB3 H 3.453 -7.098 -5.904 1.00 . A A . 4 ALA HB3 1 1 9 7333 1 1 4 ALA N N 2.391 -6.313 -3.689 1.00 . A A . 4 ALA N 1 1 9 7334 1 1 4 ALA O O 5.588 -5.542 -3.159 1.00 . A A . 4 ALA O 1 1 9 7335 1 1 5 ALA C C 6.043 -7.959 -0.077 1.00 . A A . 5 ALA C 1 1 9 7336 1 1 5 ALA CA C 5.567 -6.579 -0.550 1.00 . A A . 5 ALA CA 1 1 9 7337 1 1 5 ALA CB C 5.090 -5.717 0.625 1.00 . A A . 5 ALA CB 1 1 9 7338 1 1 5 ALA H H 3.570 -6.599 -1.333 1.00 . A A . 5 ALA H 1 1 9 7339 1 1 5 ALA HA H 6.395 -6.069 -1.023 1.00 . A A . 5 ALA HA 1 1 9 7340 1 1 5 ALA HB1 H 4.743 -4.762 0.257 1.00 . A A . 5 ALA HB1 1 1 9 7341 1 1 5 ALA HB2 H 5.912 -5.546 1.304 1.00 . A A . 5 ALA HB2 1 1 9 7342 1 1 5 ALA HB3 H 4.291 -6.203 1.160 1.00 . A A . 5 ALA HB3 1 1 9 7343 1 1 5 ALA N N 4.507 -6.683 -1.558 1.00 . A A . 5 ALA N 1 1 9 7344 1 1 5 ALA O O 5.238 -8.894 0.045 1.00 . A A . 5 ALA O 1 1 9 7345 1 1 6 GLN C C 7.347 -10.102 1.689 1.00 . A A . 6 GLN C 1 1 9 7346 1 1 6 GLN CA C 8.069 -9.292 0.595 1.00 . A A . 6 GLN CA 1 1 9 7347 1 1 6 GLN CB C 9.447 -8.889 1.133 1.00 . A A . 6 GLN CB 1 1 9 7348 1 1 6 GLN CD C 11.658 -9.583 2.122 1.00 . A A . 6 GLN CD 1 1 9 7349 1 1 6 GLN CG C 10.338 -10.055 1.549 1.00 . A A . 6 GLN CG 1 1 9 7350 1 1 6 GLN H H 7.911 -7.270 -0.018 1.00 . A A . 6 GLN H 1 1 9 7351 1 1 6 GLN HA H 8.234 -9.915 -0.269 1.00 . A A . 6 GLN HA 1 1 9 7352 1 1 6 GLN HB2 H 9.967 -8.302 0.392 1.00 . A A . 6 GLN HB2 1 1 9 7353 1 1 6 GLN HB3 H 9.294 -8.262 2.000 1.00 . A A . 6 GLN HB3 1 1 9 7354 1 1 6 GLN HE21 H 10.930 -9.614 3.977 1.00 . A A . 6 GLN HE21 1 1 9 7355 1 1 6 GLN HE22 H 12.566 -9.125 3.814 1.00 . A A . 6 GLN HE22 1 1 9 7356 1 1 6 GLN HG2 H 9.829 -10.656 2.286 1.00 . A A . 6 GLN HG2 1 1 9 7357 1 1 6 GLN HG3 H 10.546 -10.666 0.687 1.00 . A A . 6 GLN HG3 1 1 9 7358 1 1 6 GLN N N 7.359 -8.056 0.178 1.00 . A A . 6 GLN N 1 1 9 7359 1 1 6 GLN NE2 N 11.719 -9.425 3.421 1.00 . A A . 6 GLN NE2 1 1 9 7360 1 1 6 GLN O O 7.124 -11.308 1.525 1.00 . A A . 6 GLN O 1 1 9 7361 1 1 6 GLN OE1 O 12.626 -9.393 1.400 1.00 . A A . 6 GLN OE1 1 1 9 7362 1 1 7 ASN C C 4.970 -9.526 4.087 1.00 . A A . 7 ASN C 1 1 9 7363 1 1 7 ASN CA C 6.302 -10.170 3.850 1.00 . A A . 7 ASN CA 1 1 9 7364 1 1 7 ASN CB C 7.148 -10.214 5.141 1.00 . A A . 7 ASN CB 1 1 9 7365 1 1 7 ASN CG C 6.640 -11.205 6.198 1.00 . A A . 7 ASN CG 1 1 9 7366 1 1 7 ASN H H 7.221 -8.511 2.809 1.00 . A A . 7 ASN H 1 1 9 7367 1 1 7 ASN HA H 6.124 -11.175 3.499 1.00 . A A . 7 ASN HA 1 1 9 7368 1 1 7 ASN HB2 H 8.151 -10.503 4.871 1.00 . A A . 7 ASN HB2 1 1 9 7369 1 1 7 ASN HB3 H 7.166 -9.227 5.581 1.00 . A A . 7 ASN HB3 1 1 9 7370 1 1 7 ASN HD21 H 8.482 -11.444 6.839 1.00 . A A . 7 ASN HD21 1 1 9 7371 1 1 7 ASN HD22 H 7.260 -12.343 7.690 1.00 . A A . 7 ASN HD22 1 1 9 7372 1 1 7 ASN N N 6.986 -9.460 2.773 1.00 . A A . 7 ASN N 1 1 9 7373 1 1 7 ASN ND2 N 7.551 -11.722 6.989 1.00 . A A . 7 ASN ND2 1 1 9 7374 1 1 7 ASN O O 4.765 -8.770 5.033 1.00 . A A . 7 ASN O 1 1 9 7375 1 1 7 ASN OD1 O 5.453 -11.507 6.292 1.00 . A A . 7 ASN OD1 1 1 9 7376 1 1 8 CYS C C 1.724 -10.179 3.673 1.00 . A A . 8 CYS C 1 1 9 7377 1 1 8 CYS CA C 2.802 -9.172 3.186 1.00 . A A . 8 CYS CA 1 1 9 7378 1 1 8 CYS CB C 2.406 -8.508 1.860 1.00 . A A . 8 CYS CB 1 1 9 7379 1 1 8 CYS H H 4.343 -10.224 2.333 1.00 . A A . 8 CYS H 1 1 9 7380 1 1 8 CYS HA H 2.832 -8.393 3.935 1.00 . A A . 8 CYS HA 1 1 9 7381 1 1 8 CYS HB2 H 3.050 -7.668 1.660 1.00 . A A . 8 CYS HB2 1 1 9 7382 1 1 8 CYS HB3 H 2.494 -9.228 1.062 1.00 . A A . 8 CYS HB3 1 1 9 7383 1 1 8 CYS N N 4.113 -9.707 3.135 1.00 . A A . 8 CYS N 1 1 9 7384 1 1 8 CYS O O 1.883 -11.408 3.572 1.00 . A A . 8 CYS O 1 1 9 7385 1 1 8 CYS SG S 0.715 -7.918 1.876 1.00 . A A . 8 CYS SG 1 1 9 7386 1 1 9 GLN C C -1.681 -9.840 3.740 1.00 . A A . 9 GLN C 1 1 9 7387 1 1 9 GLN CA C -0.522 -10.310 4.607 1.00 . A A . 9 GLN CA 1 1 9 7388 1 1 9 GLN CB C -0.874 -10.090 6.061 1.00 . A A . 9 GLN CB 1 1 9 7389 1 1 9 GLN CD C -0.375 -10.532 8.445 1.00 . A A . 9 GLN CD 1 1 9 7390 1 1 9 GLN CG C 0.134 -10.623 7.039 1.00 . A A . 9 GLN CG 1 1 9 7391 1 1 9 GLN H H 0.904 -8.658 4.223 1.00 . A A . 9 GLN H 1 1 9 7392 1 1 9 GLN HA H -0.371 -11.364 4.426 1.00 . A A . 9 GLN HA 1 1 9 7393 1 1 9 GLN HB2 H -0.978 -9.027 6.229 1.00 . A A . 9 GLN HB2 1 1 9 7394 1 1 9 GLN HB3 H -1.825 -10.561 6.265 1.00 . A A . 9 GLN HB3 1 1 9 7395 1 1 9 GLN HE21 H -1.194 -12.303 8.253 1.00 . A A . 9 GLN HE21 1 1 9 7396 1 1 9 GLN HE22 H -1.413 -11.540 9.793 1.00 . A A . 9 GLN HE22 1 1 9 7397 1 1 9 GLN HG2 H 0.332 -11.659 6.806 1.00 . A A . 9 GLN HG2 1 1 9 7398 1 1 9 GLN HG3 H 1.041 -10.043 6.959 1.00 . A A . 9 GLN HG3 1 1 9 7399 1 1 9 GLN N N 0.678 -9.611 4.220 1.00 . A A . 9 GLN N 1 1 9 7400 1 1 9 GLN NE2 N -1.060 -11.556 8.878 1.00 . A A . 9 GLN NE2 1 1 9 7401 1 1 9 GLN O O -1.728 -8.675 3.338 1.00 . A A . 9 GLN O 1 1 9 7402 1 1 9 GLN OE1 O -0.168 -9.533 9.133 1.00 . A A . 9 GLN OE1 1 1 9 7403 1 1 10 ARG C C -4.910 -10.157 3.665 1.00 . A A . 10 ARG C 1 1 9 7404 1 1 10 ARG CA C -3.773 -10.414 2.686 1.00 . A A . 10 ARG CA 1 1 9 7405 1 1 10 ARG CB C -4.128 -11.603 1.769 1.00 . A A . 10 ARG CB 1 1 9 7406 1 1 10 ARG CD C -5.613 -12.563 -0.041 1.00 . A A . 10 ARG CD 1 1 9 7407 1 1 10 ARG CG C -5.315 -11.356 0.850 1.00 . A A . 10 ARG CG 1 1 9 7408 1 1 10 ARG CZ C -7.003 -13.042 -2.082 1.00 . A A . 10 ARG CZ 1 1 9 7409 1 1 10 ARG H H -2.587 -11.629 3.817 1.00 . A A . 10 ARG H 1 1 9 7410 1 1 10 ARG HA H -3.581 -9.534 2.089 1.00 . A A . 10 ARG HA 1 1 9 7411 1 1 10 ARG HB2 H -3.264 -11.862 1.176 1.00 . A A . 10 ARG HB2 1 1 9 7412 1 1 10 ARG HB3 H -4.366 -12.440 2.409 1.00 . A A . 10 ARG HB3 1 1 9 7413 1 1 10 ARG HD2 H -4.724 -12.785 -0.615 1.00 . A A . 10 ARG HD2 1 1 9 7414 1 1 10 ARG HD3 H -5.872 -13.410 0.576 1.00 . A A . 10 ARG HD3 1 1 9 7415 1 1 10 ARG HE H -7.283 -11.519 -0.752 1.00 . A A . 10 ARG HE 1 1 9 7416 1 1 10 ARG HG2 H -6.180 -11.157 1.463 1.00 . A A . 10 ARG HG2 1 1 9 7417 1 1 10 ARG HG3 H -5.117 -10.495 0.227 1.00 . A A . 10 ARG HG3 1 1 9 7418 1 1 10 ARG HH11 H -5.473 -14.379 -1.826 1.00 . A A . 10 ARG HH11 1 1 9 7419 1 1 10 ARG HH12 H -6.427 -14.675 -3.184 1.00 . A A . 10 ARG HH12 1 1 9 7420 1 1 10 ARG HH21 H -8.632 -11.940 -2.730 1.00 . A A . 10 ARG HH21 1 1 9 7421 1 1 10 ARG HH22 H -8.231 -13.275 -3.692 1.00 . A A . 10 ARG HH22 1 1 9 7422 1 1 10 ARG N N -2.603 -10.723 3.463 1.00 . A A . 10 ARG N 1 1 9 7423 1 1 10 ARG NE N -6.728 -12.299 -0.983 1.00 . A A . 10 ARG NE 1 1 9 7424 1 1 10 ARG NH1 N -6.253 -14.095 -2.382 1.00 . A A . 10 ARG NH1 1 1 9 7425 1 1 10 ARG NH2 N -8.022 -12.719 -2.880 1.00 . A A . 10 ARG NH2 1 1 9 7426 1 1 10 ARG O O -5.490 -11.096 4.205 1.00 . A A . 10 ARG O 1 1 9 7427 1 1 11 PRO C C -7.638 -8.816 4.570 1.00 . A A . 11 PRO C 1 1 9 7428 1 1 11 PRO CA C -6.187 -8.533 4.980 1.00 . A A . 11 PRO CA 1 1 9 7429 1 1 11 PRO CB C -5.952 -7.035 5.183 1.00 . A A . 11 PRO CB 1 1 9 7430 1 1 11 PRO CD C -4.585 -7.713 3.325 1.00 . A A . 11 PRO CD 1 1 9 7431 1 1 11 PRO CG C -5.379 -6.560 3.882 1.00 . A A . 11 PRO CG 1 1 9 7432 1 1 11 PRO HA H -5.985 -9.053 5.905 1.00 . A A . 11 PRO HA 1 1 9 7433 1 1 11 PRO HB2 H -6.891 -6.547 5.402 1.00 . A A . 11 PRO HB2 1 1 9 7434 1 1 11 PRO HB3 H -5.251 -6.887 5.991 1.00 . A A . 11 PRO HB3 1 1 9 7435 1 1 11 PRO HD2 H -4.620 -7.780 2.243 1.00 . A A . 11 PRO HD2 1 1 9 7436 1 1 11 PRO HD3 H -3.553 -7.636 3.636 1.00 . A A . 11 PRO HD3 1 1 9 7437 1 1 11 PRO HG2 H -6.185 -6.298 3.213 1.00 . A A . 11 PRO HG2 1 1 9 7438 1 1 11 PRO HG3 H -4.741 -5.703 4.035 1.00 . A A . 11 PRO HG3 1 1 9 7439 1 1 11 PRO N N -5.202 -8.893 3.954 1.00 . A A . 11 PRO N 1 1 9 7440 1 1 11 PRO O O -8.391 -9.439 5.318 1.00 . A A . 11 PRO O 1 1 9 7441 1 1 12 CYS C C -10.449 -7.891 3.779 1.00 . A A . 12 CYS C 1 1 9 7442 1 1 12 CYS CA C -9.388 -8.491 2.838 1.00 . A A . 12 CYS CA 1 1 9 7443 1 1 12 CYS CB C -9.705 -9.956 2.534 1.00 . A A . 12 CYS CB 1 1 9 7444 1 1 12 CYS H H -7.347 -7.881 2.837 1.00 . A A . 12 CYS H 1 1 9 7445 1 1 12 CYS HA H -9.394 -7.921 1.919 1.00 . A A . 12 CYS HA 1 1 9 7446 1 1 12 CYS HB2 H -9.620 -10.538 3.441 1.00 . A A . 12 CYS HB2 1 1 9 7447 1 1 12 CYS HB3 H -10.721 -10.022 2.169 1.00 . A A . 12 CYS HB3 1 1 9 7448 1 1 12 CYS HG H -8.926 -12.009 1.352 1.00 . A A . 12 CYS HG 1 1 9 7449 1 1 12 CYS N N -8.020 -8.338 3.381 1.00 . A A . 12 CYS N 1 1 9 7450 1 1 12 CYS O O -11.629 -8.270 3.742 1.00 . A A . 12 CYS O 1 1 9 7451 1 1 12 CYS SG S -8.630 -10.718 1.302 1.00 . A A . 12 CYS SG 1 1 9 7452 1 1 13 LYS C C -11.541 -5.093 4.761 1.00 . A A . 13 LYS C 1 1 9 7453 1 1 13 LYS CA C -10.907 -6.256 5.482 1.00 . A A . 13 LYS CA 1 1 9 7454 1 1 13 LYS CB C -10.142 -5.796 6.724 1.00 . A A . 13 LYS CB 1 1 9 7455 1 1 13 LYS CD C -8.808 -6.441 8.723 1.00 . A A . 13 LYS CD 1 1 9 7456 1 1 13 LYS CE C -8.427 -7.594 9.600 1.00 . A A . 13 LYS CE 1 1 9 7457 1 1 13 LYS CG C -9.577 -6.937 7.526 1.00 . A A . 13 LYS CG 1 1 9 7458 1 1 13 LYS H H -9.079 -6.716 4.563 1.00 . A A . 13 LYS H 1 1 9 7459 1 1 13 LYS HA H -11.694 -6.935 5.778 1.00 . A A . 13 LYS HA 1 1 9 7460 1 1 13 LYS HB2 H -9.325 -5.147 6.451 1.00 . A A . 13 LYS HB2 1 1 9 7461 1 1 13 LYS HB3 H -10.820 -5.270 7.377 1.00 . A A . 13 LYS HB3 1 1 9 7462 1 1 13 LYS HD2 H -7.912 -5.942 8.386 1.00 . A A . 13 LYS HD2 1 1 9 7463 1 1 13 LYS HD3 H -9.423 -5.752 9.282 1.00 . A A . 13 LYS HD3 1 1 9 7464 1 1 13 LYS HE2 H -9.377 -7.988 9.920 1.00 . A A . 13 LYS HE2 1 1 9 7465 1 1 13 LYS HE3 H -7.899 -8.342 9.027 1.00 . A A . 13 LYS HE3 1 1 9 7466 1 1 13 LYS HG2 H -10.386 -7.572 7.853 1.00 . A A . 13 LYS HG2 1 1 9 7467 1 1 13 LYS HG3 H -8.916 -7.508 6.891 1.00 . A A . 13 LYS HG3 1 1 9 7468 1 1 13 LYS HZ1 H -6.739 -6.746 10.496 1.00 . A A . 13 LYS HZ1 1 1 9 7469 1 1 13 LYS HZ2 H -7.427 -8.010 11.376 1.00 . A A . 13 LYS HZ2 1 1 9 7470 1 1 13 LYS HZ3 H -8.171 -6.508 11.367 1.00 . A A . 13 LYS HZ3 1 1 9 7471 1 1 13 LYS N N -10.025 -6.947 4.584 1.00 . A A . 13 LYS N 1 1 9 7472 1 1 13 LYS NZ N -7.639 -7.182 10.782 1.00 . A A . 13 LYS NZ 1 1 9 7473 1 1 13 LYS O O -11.224 -4.848 3.586 1.00 . A A . 13 LYS O 1 1 9 7474 1 1 14 ASP C C -12.214 -2.115 4.462 1.00 . A A . 14 ASP C 1 1 9 7475 1 1 14 ASP CA C -13.111 -3.280 4.794 1.00 . A A . 14 ASP CA 1 1 9 7476 1 1 14 ASP CB C -14.340 -2.843 5.599 1.00 . A A . 14 ASP CB 1 1 9 7477 1 1 14 ASP CG C -15.411 -3.915 5.637 1.00 . A A . 14 ASP CG 1 1 9 7478 1 1 14 ASP H H -12.544 -4.502 6.392 1.00 . A A . 14 ASP H 1 1 9 7479 1 1 14 ASP HA H -13.453 -3.689 3.855 1.00 . A A . 14 ASP HA 1 1 9 7480 1 1 14 ASP HB2 H -14.053 -2.621 6.618 1.00 . A A . 14 ASP HB2 1 1 9 7481 1 1 14 ASP HB3 H -14.759 -1.954 5.148 1.00 . A A . 14 ASP HB3 1 1 9 7482 1 1 14 ASP N N -12.394 -4.363 5.431 1.00 . A A . 14 ASP N 1 1 9 7483 1 1 14 ASP O O -11.920 -1.870 3.295 1.00 . A A . 14 ASP O 1 1 9 7484 1 1 14 ASP OD1 O -16.257 -3.945 4.720 1.00 . A A . 14 ASP OD1 1 1 9 7485 1 1 14 ASP OD2 O -15.432 -4.731 6.594 1.00 . A A . 14 ASP OD2 1 1 9 7486 1 1 15 LYS C C -9.450 -0.780 5.072 1.00 . A A . 15 LYS C 1 1 9 7487 1 1 15 LYS CA C -10.880 -0.277 5.194 1.00 . A A . 15 LYS CA 1 1 9 7488 1 1 15 LYS CB C -10.959 0.776 6.314 1.00 . A A . 15 LYS CB 1 1 9 7489 1 1 15 LYS CD C -12.967 2.256 5.499 1.00 . A A . 15 LYS CD 1 1 9 7490 1 1 15 LYS CE C -13.542 1.452 4.333 1.00 . A A . 15 LYS CE 1 1 9 7491 1 1 15 LYS CG C -12.353 1.393 6.631 1.00 . A A . 15 LYS CG 1 1 9 7492 1 1 15 LYS H H -12.045 -1.438 6.385 1.00 . A A . 15 LYS H 1 1 9 7493 1 1 15 LYS HA H -11.123 0.192 4.255 1.00 . A A . 15 LYS HA 1 1 9 7494 1 1 15 LYS HB2 H -10.602 0.318 7.224 1.00 . A A . 15 LYS HB2 1 1 9 7495 1 1 15 LYS HB3 H -10.281 1.577 6.056 1.00 . A A . 15 LYS HB3 1 1 9 7496 1 1 15 LYS HD2 H -13.773 2.843 5.907 1.00 . A A . 15 LYS HD2 1 1 9 7497 1 1 15 LYS HD3 H -12.207 2.923 5.120 1.00 . A A . 15 LYS HD3 1 1 9 7498 1 1 15 LYS HE2 H -12.802 0.804 3.896 1.00 . A A . 15 LYS HE2 1 1 9 7499 1 1 15 LYS HE3 H -14.351 0.839 4.701 1.00 . A A . 15 LYS HE3 1 1 9 7500 1 1 15 LYS HG2 H -13.052 0.592 6.820 1.00 . A A . 15 LYS HG2 1 1 9 7501 1 1 15 LYS HG3 H -12.266 1.999 7.522 1.00 . A A . 15 LYS HG3 1 1 9 7502 1 1 15 LYS HZ1 H -13.326 2.956 2.897 1.00 . A A . 15 LYS HZ1 1 1 9 7503 1 1 15 LYS HZ2 H -14.830 2.954 3.641 1.00 . A A . 15 LYS HZ2 1 1 9 7504 1 1 15 LYS HZ3 H -14.480 1.798 2.482 1.00 . A A . 15 LYS HZ3 1 1 9 7505 1 1 15 LYS N N -11.782 -1.375 5.446 1.00 . A A . 15 LYS N 1 1 9 7506 1 1 15 LYS NZ N -14.077 2.336 3.276 1.00 . A A . 15 LYS NZ 1 1 9 7507 1 1 15 LYS O O -8.744 -0.891 6.070 1.00 . A A . 15 LYS O 1 1 9 7508 1 1 16 VAL C C -7.093 -0.569 2.629 1.00 . A A . 16 VAL C 1 1 9 7509 1 1 16 VAL CA C -7.704 -1.547 3.611 1.00 . A A . 16 VAL CA 1 1 9 7510 1 1 16 VAL CB C -7.521 -3.026 3.142 1.00 . A A . 16 VAL CB 1 1 9 7511 1 1 16 VAL CG1 C -8.056 -3.987 4.185 1.00 . A A . 16 VAL CG1 1 1 9 7512 1 1 16 VAL CG2 C -8.162 -3.282 1.791 1.00 . A A . 16 VAL CG2 1 1 9 7513 1 1 16 VAL H H -9.731 -1.213 3.152 1.00 . A A . 16 VAL H 1 1 9 7514 1 1 16 VAL HA H -7.202 -1.405 4.556 1.00 . A A . 16 VAL HA 1 1 9 7515 1 1 16 VAL HB H -6.456 -3.192 3.057 1.00 . A A . 16 VAL HB 1 1 9 7516 1 1 16 VAL HG11 H -9.110 -3.799 4.343 1.00 . A A . 16 VAL HG11 1 1 9 7517 1 1 16 VAL HG12 H -7.528 -3.842 5.115 1.00 . A A . 16 VAL HG12 1 1 9 7518 1 1 16 VAL HG13 H -7.918 -5.005 3.849 1.00 . A A . 16 VAL HG13 1 1 9 7519 1 1 16 VAL HG21 H -9.190 -2.958 1.813 1.00 . A A . 16 VAL HG21 1 1 9 7520 1 1 16 VAL HG22 H -8.079 -4.323 1.508 1.00 . A A . 16 VAL HG22 1 1 9 7521 1 1 16 VAL HG23 H -7.607 -2.674 1.092 1.00 . A A . 16 VAL HG23 1 1 9 7522 1 1 16 VAL N N -9.070 -1.170 3.872 1.00 . A A . 16 VAL N 1 1 9 7523 1 1 16 VAL O O -7.670 -0.271 1.572 1.00 . A A . 16 VAL O 1 1 9 7524 1 1 17 ASP C C -4.088 0.515 1.513 1.00 . A A . 17 ASP C 1 1 9 7525 1 1 17 ASP CA C -5.315 0.997 2.264 1.00 . A A . 17 ASP CA 1 1 9 7526 1 1 17 ASP CB C -4.944 2.126 3.237 1.00 . A A . 17 ASP CB 1 1 9 7527 1 1 17 ASP CG C -6.140 2.658 4.028 1.00 . A A . 17 ASP CG 1 1 9 7528 1 1 17 ASP H H -5.512 -0.497 3.747 1.00 . A A . 17 ASP H 1 1 9 7529 1 1 17 ASP HA H -6.032 1.375 1.556 1.00 . A A . 17 ASP HA 1 1 9 7530 1 1 17 ASP HB2 H -4.233 1.723 3.942 1.00 . A A . 17 ASP HB2 1 1 9 7531 1 1 17 ASP HB3 H -4.486 2.937 2.687 1.00 . A A . 17 ASP HB3 1 1 9 7532 1 1 17 ASP N N -5.947 -0.090 2.979 1.00 . A A . 17 ASP N 1 1 9 7533 1 1 17 ASP O O -3.386 -0.430 1.946 1.00 . A A . 17 ASP O 1 1 9 7534 1 1 17 ASP OD1 O -6.854 3.570 3.541 1.00 . A A . 17 ASP OD1 1 1 9 7535 1 1 17 ASP OD2 O -6.376 2.166 5.154 1.00 . A A . 17 ASP OD2 1 1 9 7536 1 1 18 TRP C C -1.878 1.991 -0.827 1.00 . A A . 18 TRP C 1 1 9 7537 1 1 18 TRP CA C -2.754 0.781 -0.521 1.00 . A A . 18 TRP CA 1 1 9 7538 1 1 18 TRP CB C -3.341 0.288 -1.843 1.00 . A A . 18 TRP CB 1 1 9 7539 1 1 18 TRP CD1 C -5.587 -0.745 -1.169 1.00 . A A . 18 TRP CD1 1 1 9 7540 1 1 18 TRP CD2 C -4.269 -2.110 -2.330 1.00 . A A . 18 TRP CD2 1 1 9 7541 1 1 18 TRP CE2 C -5.447 -2.792 -2.004 1.00 . A A . 18 TRP CE2 1 1 9 7542 1 1 18 TRP CE3 C -3.306 -2.758 -3.070 1.00 . A A . 18 TRP CE3 1 1 9 7543 1 1 18 TRP CG C -4.358 -0.814 -1.749 1.00 . A A . 18 TRP CG 1 1 9 7544 1 1 18 TRP CH2 C -4.712 -4.702 -3.142 1.00 . A A . 18 TRP CH2 1 1 9 7545 1 1 18 TRP CZ2 C -5.682 -4.091 -2.402 1.00 . A A . 18 TRP CZ2 1 1 9 7546 1 1 18 TRP CZ3 C -3.536 -4.047 -3.481 1.00 . A A . 18 TRP CZ3 1 1 9 7547 1 1 18 TRP H H -4.424 1.922 0.197 1.00 . A A . 18 TRP H 1 1 9 7548 1 1 18 TRP HA H -2.174 -0.010 -0.075 1.00 . A A . 18 TRP HA 1 1 9 7549 1 1 18 TRP HB2 H -3.837 1.137 -2.278 1.00 . A A . 18 TRP HB2 1 1 9 7550 1 1 18 TRP HB3 H -2.559 -0.011 -2.527 1.00 . A A . 18 TRP HB3 1 1 9 7551 1 1 18 TRP HD1 H -5.942 0.141 -0.666 1.00 . A A . 18 TRP HD1 1 1 9 7552 1 1 18 TRP HE1 H -7.114 -2.171 -0.919 1.00 . A A . 18 TRP HE1 1 1 9 7553 1 1 18 TRP HE3 H -2.402 -2.243 -3.333 1.00 . A A . 18 TRP HE3 1 1 9 7554 1 1 18 TRP HH2 H -4.839 -5.707 -3.505 1.00 . A A . 18 TRP HH2 1 1 9 7555 1 1 18 TRP HZ2 H -6.601 -4.589 -2.128 1.00 . A A . 18 TRP HZ2 1 1 9 7556 1 1 18 TRP HZ3 H -2.793 -4.570 -4.066 1.00 . A A . 18 TRP HZ3 1 1 9 7557 1 1 18 TRP N N -3.831 1.160 0.390 1.00 . A A . 18 TRP N 1 1 9 7558 1 1 18 TRP NE1 N -6.224 -1.944 -1.276 1.00 . A A . 18 TRP NE1 1 1 9 7559 1 1 18 TRP O O -2.317 3.150 -0.661 1.00 . A A . 18 TRP O 1 1 9 7560 1 1 19 VAL C C 1.007 2.267 -2.912 1.00 . A A . 19 VAL C 1 1 9 7561 1 1 19 VAL CA C 0.317 2.752 -1.650 1.00 . A A . 19 VAL CA 1 1 9 7562 1 1 19 VAL CB C 1.468 2.819 -0.628 1.00 . A A . 19 VAL CB 1 1 9 7563 1 1 19 VAL CG1 C 2.182 4.157 -0.609 1.00 . A A . 19 VAL CG1 1 1 9 7564 1 1 19 VAL CG2 C 1.137 2.267 0.740 1.00 . A A . 19 VAL CG2 1 1 9 7565 1 1 19 VAL H H -0.305 0.830 -1.473 1.00 . A A . 19 VAL H 1 1 9 7566 1 1 19 VAL HA H -0.135 3.723 -1.773 1.00 . A A . 19 VAL HA 1 1 9 7567 1 1 19 VAL HB H 2.197 2.162 -1.078 1.00 . A A . 19 VAL HB 1 1 9 7568 1 1 19 VAL HG11 H 2.964 4.126 0.135 1.00 . A A . 19 VAL HG11 1 1 9 7569 1 1 19 VAL HG12 H 1.463 4.922 -0.355 1.00 . A A . 19 VAL HG12 1 1 9 7570 1 1 19 VAL HG13 H 2.600 4.383 -1.580 1.00 . A A . 19 VAL HG13 1 1 9 7571 1 1 19 VAL HG21 H 0.988 1.197 0.659 1.00 . A A . 19 VAL HG21 1 1 9 7572 1 1 19 VAL HG22 H 0.264 2.750 1.155 1.00 . A A . 19 VAL HG22 1 1 9 7573 1 1 19 VAL HG23 H 1.997 2.442 1.369 1.00 . A A . 19 VAL HG23 1 1 9 7574 1 1 19 VAL N N -0.660 1.729 -1.296 1.00 . A A . 19 VAL N 1 1 9 7575 1 1 19 VAL O O 1.247 1.073 -3.043 1.00 . A A . 19 VAL O 1 1 9 7576 1 1 20 GLN C C 3.463 3.350 -4.845 1.00 . A A . 20 GLN C 1 1 9 7577 1 1 20 GLN CA C 2.084 2.745 -4.967 1.00 . A A . 20 GLN CA 1 1 9 7578 1 1 20 GLN CB C 1.445 3.187 -6.268 1.00 . A A . 20 GLN CB 1 1 9 7579 1 1 20 GLN CD C 0.843 2.502 -8.637 1.00 . A A . 20 GLN CD 1 1 9 7580 1 1 20 GLN CG C 1.424 2.077 -7.314 1.00 . A A . 20 GLN CG 1 1 9 7581 1 1 20 GLN H H 0.883 4.020 -3.687 1.00 . A A . 20 GLN H 1 1 9 7582 1 1 20 GLN HA H 2.183 1.668 -4.960 1.00 . A A . 20 GLN HA 1 1 9 7583 1 1 20 GLN HB2 H 0.446 3.551 -6.072 1.00 . A A . 20 GLN HB2 1 1 9 7584 1 1 20 GLN HB3 H 2.019 4.010 -6.667 1.00 . A A . 20 GLN HB3 1 1 9 7585 1 1 20 GLN HE21 H 1.878 1.092 -9.562 1.00 . A A . 20 GLN HE21 1 1 9 7586 1 1 20 GLN HE22 H 0.837 2.025 -10.559 1.00 . A A . 20 GLN HE22 1 1 9 7587 1 1 20 GLN HG2 H 2.430 1.726 -7.491 1.00 . A A . 20 GLN HG2 1 1 9 7588 1 1 20 GLN HG3 H 0.828 1.260 -6.932 1.00 . A A . 20 GLN HG3 1 1 9 7589 1 1 20 GLN N N 1.291 3.137 -3.822 1.00 . A A . 20 GLN N 1 1 9 7590 1 1 20 GLN NE2 N 1.228 1.826 -9.683 1.00 . A A . 20 GLN NE2 1 1 9 7591 1 1 20 GLN O O 3.594 4.495 -4.438 1.00 . A A . 20 GLN O 1 1 9 7592 1 1 20 GLN OE1 O 0.013 3.409 -8.710 1.00 . A A . 20 GLN OE1 1 1 9 7593 1 1 21 CYS C C 6.114 4.047 -6.281 1.00 . A A . 21 CYS C 1 1 9 7594 1 1 21 CYS CA C 5.874 3.069 -5.137 1.00 . A A . 21 CYS CA 1 1 9 7595 1 1 21 CYS CB C 6.772 1.900 -5.411 1.00 . A A . 21 CYS CB 1 1 9 7596 1 1 21 CYS H H 4.441 1.618 -5.377 1.00 . A A . 21 CYS H 1 1 9 7597 1 1 21 CYS HA H 6.133 3.485 -4.175 1.00 . A A . 21 CYS HA 1 1 9 7598 1 1 21 CYS HB2 H 6.415 0.990 -4.970 1.00 . A A . 21 CYS HB2 1 1 9 7599 1 1 21 CYS HB3 H 6.729 1.755 -6.481 1.00 . A A . 21 CYS HB3 1 1 9 7600 1 1 21 CYS N N 4.488 2.576 -5.147 1.00 . A A . 21 CYS N 1 1 9 7601 1 1 21 CYS O O 5.670 3.811 -7.406 1.00 . A A . 21 CYS O 1 1 9 7602 1 1 21 CYS SG S 8.505 2.063 -4.988 1.00 . A A . 21 CYS SG 1 1 9 7603 1 1 22 ASP C C 8.750 5.933 -7.299 1.00 . A A . 22 ASP C 1 1 9 7604 1 1 22 ASP CA C 7.257 6.053 -7.037 1.00 . A A . 22 ASP CA 1 1 9 7605 1 1 22 ASP CB C 6.954 7.492 -6.590 1.00 . A A . 22 ASP CB 1 1 9 7606 1 1 22 ASP CG C 5.491 7.764 -6.397 1.00 . A A . 22 ASP CG 1 1 9 7607 1 1 22 ASP H H 7.160 5.240 -5.080 1.00 . A A . 22 ASP H 1 1 9 7608 1 1 22 ASP HA H 6.697 5.831 -7.933 1.00 . A A . 22 ASP HA 1 1 9 7609 1 1 22 ASP HB2 H 7.454 7.672 -5.653 1.00 . A A . 22 ASP HB2 1 1 9 7610 1 1 22 ASP HB3 H 7.345 8.173 -7.332 1.00 . A A . 22 ASP HB3 1 1 9 7611 1 1 22 ASP N N 6.864 5.086 -6.010 1.00 . A A . 22 ASP N 1 1 9 7612 1 1 22 ASP O O 9.363 6.826 -7.885 1.00 . A A . 22 ASP O 1 1 9 7613 1 1 22 ASP OD1 O 4.773 7.916 -7.416 1.00 . A A . 22 ASP OD1 1 1 9 7614 1 1 22 ASP OD2 O 5.052 7.853 -5.237 1.00 . A A . 22 ASP OD2 1 1 9 7615 1 1 23 GLY C C 11.225 3.594 -8.004 1.00 . A A . 23 GLY C 1 1 9 7616 1 1 23 GLY CA C 10.775 4.638 -7.009 1.00 . A A . 23 GLY CA 1 1 9 7617 1 1 23 GLY H H 8.777 4.065 -6.567 1.00 . A A . 23 GLY H 1 1 9 7618 1 1 23 GLY HA2 H 11.211 5.582 -7.297 1.00 . A A . 23 GLY HA2 1 1 9 7619 1 1 23 GLY HA3 H 11.162 4.367 -6.037 1.00 . A A . 23 GLY HA3 1 1 9 7620 1 1 23 GLY N N 9.333 4.795 -6.908 1.00 . A A . 23 GLY N 1 1 9 7621 1 1 23 GLY O O 12.380 3.193 -7.984 1.00 . A A . 23 GLY O 1 1 9 7622 1 1 24 GLY C C 9.830 1.027 -10.119 1.00 . A A . 24 GLY C 1 1 9 7623 1 1 24 GLY CA C 10.752 2.198 -9.878 1.00 . A A . 24 GLY CA 1 1 9 7624 1 1 24 GLY H H 9.429 3.483 -8.735 1.00 . A A . 24 GLY H 1 1 9 7625 1 1 24 GLY HA2 H 10.842 2.745 -10.805 1.00 . A A . 24 GLY HA2 1 1 9 7626 1 1 24 GLY HA3 H 11.731 1.823 -9.617 1.00 . A A . 24 GLY HA3 1 1 9 7627 1 1 24 GLY N N 10.329 3.127 -8.840 1.00 . A A . 24 GLY N 1 1 9 7628 1 1 24 GLY O O 9.421 0.796 -11.236 1.00 . A A . 24 GLY O 1 1 9 7629 1 1 25 CYS C C 7.223 -0.683 -9.650 1.00 . A A . 25 CYS C 1 1 9 7630 1 1 25 CYS CA C 8.699 -0.946 -9.260 1.00 . A A . 25 CYS CA 1 1 9 7631 1 1 25 CYS CB C 8.779 -1.883 -8.027 1.00 . A A . 25 CYS CB 1 1 9 7632 1 1 25 CYS H H 9.838 0.565 -8.199 1.00 . A A . 25 CYS H 1 1 9 7633 1 1 25 CYS HA H 9.149 -1.464 -10.096 1.00 . A A . 25 CYS HA 1 1 9 7634 1 1 25 CYS HB2 H 8.325 -2.832 -8.264 1.00 . A A . 25 CYS HB2 1 1 9 7635 1 1 25 CYS HB3 H 9.816 -2.053 -7.784 1.00 . A A . 25 CYS HB3 1 1 9 7636 1 1 25 CYS N N 9.498 0.288 -9.076 1.00 . A A . 25 CYS N 1 1 9 7637 1 1 25 CYS O O 6.562 -1.576 -10.170 1.00 . A A . 25 CYS O 1 1 9 7638 1 1 25 CYS SG S 7.961 -1.273 -6.527 1.00 . A A . 25 CYS SG 1 1 9 7639 1 1 26 ASP C C 4.278 -0.047 -9.147 1.00 . A A . 26 ASP C 1 1 9 7640 1 1 26 ASP CA C 5.300 0.953 -9.681 1.00 . A A . 26 ASP CA 1 1 9 7641 1 1 26 ASP CB C 4.997 1.244 -11.174 1.00 . A A . 26 ASP CB 1 1 9 7642 1 1 26 ASP CG C 5.537 2.573 -11.654 1.00 . A A . 26 ASP CG 1 1 9 7643 1 1 26 ASP H H 7.376 1.292 -9.280 1.00 . A A . 26 ASP H 1 1 9 7644 1 1 26 ASP HA H 5.136 1.871 -9.136 1.00 . A A . 26 ASP HA 1 1 9 7645 1 1 26 ASP HB2 H 5.436 0.477 -11.795 1.00 . A A . 26 ASP HB2 1 1 9 7646 1 1 26 ASP HB3 H 3.928 1.238 -11.320 1.00 . A A . 26 ASP HB3 1 1 9 7647 1 1 26 ASP N N 6.740 0.571 -9.448 1.00 . A A . 26 ASP N 1 1 9 7648 1 1 26 ASP O O 3.161 -0.109 -9.647 1.00 . A A . 26 ASP O 1 1 9 7649 1 1 26 ASP OD1 O 4.920 3.620 -11.347 1.00 . A A . 26 ASP OD1 1 1 9 7650 1 1 26 ASP OD2 O 6.566 2.589 -12.357 1.00 . A A . 26 ASP OD2 1 1 9 7651 1 1 27 GLU C C 3.001 -1.273 -6.363 1.00 . A A . 27 GLU C 1 1 9 7652 1 1 27 GLU CA C 3.692 -1.736 -7.612 1.00 . A A . 27 GLU CA 1 1 9 7653 1 1 27 GLU CB C 4.317 -3.116 -7.487 1.00 . A A . 27 GLU CB 1 1 9 7654 1 1 27 GLU CD C 5.144 -5.166 -8.769 1.00 . A A . 27 GLU CD 1 1 9 7655 1 1 27 GLU CG C 4.569 -3.767 -8.842 1.00 . A A . 27 GLU CG 1 1 9 7656 1 1 27 GLU H H 5.456 -0.590 -7.657 1.00 . A A . 27 GLU H 1 1 9 7657 1 1 27 GLU HA H 2.926 -1.784 -8.373 1.00 . A A . 27 GLU HA 1 1 9 7658 1 1 27 GLU HB2 H 5.254 -3.021 -6.956 1.00 . A A . 27 GLU HB2 1 1 9 7659 1 1 27 GLU HB3 H 3.642 -3.731 -6.920 1.00 . A A . 27 GLU HB3 1 1 9 7660 1 1 27 GLU HG2 H 3.626 -3.833 -9.365 1.00 . A A . 27 GLU HG2 1 1 9 7661 1 1 27 GLU HG3 H 5.240 -3.141 -9.412 1.00 . A A . 27 GLU HG3 1 1 9 7662 1 1 27 GLU N N 4.606 -0.763 -8.109 1.00 . A A . 27 GLU N 1 1 9 7663 1 1 27 GLU O O 3.488 -0.367 -5.661 1.00 . A A . 27 GLU O 1 1 9 7664 1 1 27 GLU OE1 O 4.363 -6.132 -8.594 1.00 . A A . 27 GLU OE1 1 1 9 7665 1 1 27 GLU OE2 O 6.375 -5.316 -8.952 1.00 . A A . 27 GLU OE2 1 1 9 7666 1 1 28 TRP C C 1.387 -2.288 -3.754 1.00 . A A . 28 TRP C 1 1 9 7667 1 1 28 TRP CA C 1.051 -1.482 -4.975 1.00 . A A . 28 TRP CA 1 1 9 7668 1 1 28 TRP CB C -0.437 -1.661 -5.260 1.00 . A A . 28 TRP CB 1 1 9 7669 1 1 28 TRP CD1 C -1.243 -1.003 -7.606 1.00 . A A . 28 TRP CD1 1 1 9 7670 1 1 28 TRP CD2 C -1.513 0.577 -6.061 1.00 . A A . 28 TRP CD2 1 1 9 7671 1 1 28 TRP CE2 C -1.999 1.055 -7.289 1.00 . A A . 28 TRP CE2 1 1 9 7672 1 1 28 TRP CE3 C -1.578 1.408 -4.940 1.00 . A A . 28 TRP CE3 1 1 9 7673 1 1 28 TRP CG C -1.027 -0.744 -6.287 1.00 . A A . 28 TRP CG 1 1 9 7674 1 1 28 TRP CH2 C -2.603 3.104 -6.320 1.00 . A A . 28 TRP CH2 1 1 9 7675 1 1 28 TRP CZ2 C -2.550 2.318 -7.427 1.00 . A A . 28 TRP CZ2 1 1 9 7676 1 1 28 TRP CZ3 C -2.125 2.661 -5.079 1.00 . A A . 28 TRP CZ3 1 1 9 7677 1 1 28 TRP H H 1.566 -2.592 -6.681 1.00 . A A . 28 TRP H 1 1 9 7678 1 1 28 TRP HA H 1.224 -0.438 -4.763 1.00 . A A . 28 TRP HA 1 1 9 7679 1 1 28 TRP HB2 H -0.632 -2.678 -5.566 1.00 . A A . 28 TRP HB2 1 1 9 7680 1 1 28 TRP HB3 H -0.953 -1.484 -4.331 1.00 . A A . 28 TRP HB3 1 1 9 7681 1 1 28 TRP HD1 H -1.000 -1.919 -8.115 1.00 . A A . 28 TRP HD1 1 1 9 7682 1 1 28 TRP HE1 H -2.073 0.116 -9.154 1.00 . A A . 28 TRP HE1 1 1 9 7683 1 1 28 TRP HE3 H -1.217 1.078 -3.978 1.00 . A A . 28 TRP HE3 1 1 9 7684 1 1 28 TRP HH2 H -3.031 4.087 -6.396 1.00 . A A . 28 TRP HH2 1 1 9 7685 1 1 28 TRP HZ2 H -2.922 2.670 -8.374 1.00 . A A . 28 TRP HZ2 1 1 9 7686 1 1 28 TRP HZ3 H -2.191 3.317 -4.222 1.00 . A A . 28 TRP HZ3 1 1 9 7687 1 1 28 TRP N N 1.861 -1.858 -6.103 1.00 . A A . 28 TRP N 1 1 9 7688 1 1 28 TRP NE1 N -1.824 0.072 -8.205 1.00 . A A . 28 TRP NE1 1 1 9 7689 1 1 28 TRP O O 1.620 -3.493 -3.834 1.00 . A A . 28 TRP O 1 1 9 7690 1 1 29 PHE C C 0.557 -1.721 -0.395 1.00 . A A . 29 PHE C 1 1 9 7691 1 1 29 PHE CA C 1.609 -2.202 -1.360 1.00 . A A . 29 PHE CA 1 1 9 7692 1 1 29 PHE CB C 2.972 -1.919 -0.763 1.00 . A A . 29 PHE CB 1 1 9 7693 1 1 29 PHE CD1 C 4.761 -1.548 -2.471 1.00 . A A . 29 PHE CD1 1 1 9 7694 1 1 29 PHE CD2 C 3.962 0.304 -1.242 1.00 . A A . 29 PHE CD2 1 1 9 7695 1 1 29 PHE CE1 C 5.637 -0.738 -3.108 1.00 . A A . 29 PHE CE1 1 1 9 7696 1 1 29 PHE CE2 C 4.842 1.104 -1.867 1.00 . A A . 29 PHE CE2 1 1 9 7697 1 1 29 PHE CG C 3.899 -1.033 -1.525 1.00 . A A . 29 PHE CG 1 1 9 7698 1 1 29 PHE CZ C 5.677 0.593 -2.787 1.00 . A A . 29 PHE CZ 1 1 9 7699 1 1 29 PHE H H 1.358 -0.636 -2.741 1.00 . A A . 29 PHE H 1 1 9 7700 1 1 29 PHE HA H 1.500 -3.270 -1.478 1.00 . A A . 29 PHE HA 1 1 9 7701 1 1 29 PHE HB2 H 2.778 -1.398 0.163 1.00 . A A . 29 PHE HB2 1 1 9 7702 1 1 29 PHE HB3 H 3.475 -2.826 -0.499 1.00 . A A . 29 PHE HB3 1 1 9 7703 1 1 29 PHE HD1 H 4.743 -2.586 -2.750 1.00 . A A . 29 PHE HD1 1 1 9 7704 1 1 29 PHE HD2 H 3.303 0.735 -0.514 1.00 . A A . 29 PHE HD2 1 1 9 7705 1 1 29 PHE HE1 H 6.310 -1.149 -3.847 1.00 . A A . 29 PHE HE1 1 1 9 7706 1 1 29 PHE HE2 H 4.882 2.154 -1.638 1.00 . A A . 29 PHE HE2 1 1 9 7707 1 1 29 PHE HZ H 6.377 1.265 -3.255 1.00 . A A . 29 PHE HZ 1 1 9 7708 1 1 29 PHE N N 1.420 -1.613 -2.650 1.00 . A A . 29 PHE N 1 1 9 7709 1 1 29 PHE O O -0.233 -0.870 -0.723 1.00 . A A . 29 PHE O 1 1 9 7710 1 1 30 HIS C C 0.478 -1.011 2.769 1.00 . A A . 30 HIS C 1 1 9 7711 1 1 30 HIS CA C -0.365 -1.826 1.820 1.00 . A A . 30 HIS CA 1 1 9 7712 1 1 30 HIS CB C -0.999 -2.972 2.608 1.00 . A A . 30 HIS CB 1 1 9 7713 1 1 30 HIS CD2 C -3.177 -4.011 1.641 1.00 . A A . 30 HIS CD2 1 1 9 7714 1 1 30 HIS CE1 C -2.319 -5.903 0.898 1.00 . A A . 30 HIS CE1 1 1 9 7715 1 1 30 HIS CG C -1.837 -3.954 1.845 1.00 . A A . 30 HIS CG 1 1 9 7716 1 1 30 HIS H H 1.199 -3.005 0.934 1.00 . A A . 30 HIS H 1 1 9 7717 1 1 30 HIS HA H -1.128 -1.202 1.378 1.00 . A A . 30 HIS HA 1 1 9 7718 1 1 30 HIS HB2 H -0.213 -3.547 3.074 1.00 . A A . 30 HIS HB2 1 1 9 7719 1 1 30 HIS HB3 H -1.612 -2.551 3.391 1.00 . A A . 30 HIS HB3 1 1 9 7720 1 1 30 HIS HD2 H -3.895 -3.247 1.901 1.00 . A A . 30 HIS HD2 1 1 9 7721 1 1 30 HIS HE1 H -2.222 -6.935 0.580 1.00 . A A . 30 HIS HE1 1 1 9 7722 1 1 30 HIS HE2 H -4.234 -5.394 0.480 1.00 . A A . 30 HIS HE2 1 1 9 7723 1 1 30 HIS N N 0.529 -2.299 0.786 1.00 . A A . 30 HIS N 1 1 9 7724 1 1 30 HIS ND1 N -1.333 -5.135 1.352 1.00 . A A . 30 HIS ND1 1 1 9 7725 1 1 30 HIS NE2 N -3.453 -5.236 1.052 1.00 . A A . 30 HIS NE2 1 1 9 7726 1 1 30 HIS O O 1.600 -1.400 3.055 1.00 . A A . 30 HIS O 1 1 9 7727 1 1 31 GLN C C 1.318 0.227 5.326 1.00 . A A . 31 GLN C 1 1 9 7728 1 1 31 GLN CA C 0.635 0.999 4.176 1.00 . A A . 31 GLN CA 1 1 9 7729 1 1 31 GLN CB C -0.409 1.928 4.755 1.00 . A A . 31 GLN CB 1 1 9 7730 1 1 31 GLN CD C -0.628 4.021 3.321 1.00 . A A . 31 GLN CD 1 1 9 7731 1 1 31 GLN CG C -1.197 2.680 3.698 1.00 . A A . 31 GLN CG 1 1 9 7732 1 1 31 GLN H H -0.962 0.347 2.986 1.00 . A A . 31 GLN H 1 1 9 7733 1 1 31 GLN HA H 1.349 1.584 3.616 1.00 . A A . 31 GLN HA 1 1 9 7734 1 1 31 GLN HB2 H -1.100 1.365 5.366 1.00 . A A . 31 GLN HB2 1 1 9 7735 1 1 31 GLN HB3 H 0.122 2.652 5.354 1.00 . A A . 31 GLN HB3 1 1 9 7736 1 1 31 GLN HE21 H -1.416 3.905 1.485 1.00 . A A . 31 GLN HE21 1 1 9 7737 1 1 31 GLN HE22 H -0.512 5.324 1.857 1.00 . A A . 31 GLN HE22 1 1 9 7738 1 1 31 GLN HG2 H -0.993 2.048 2.842 1.00 . A A . 31 GLN HG2 1 1 9 7739 1 1 31 GLN HG3 H -2.248 2.738 3.936 1.00 . A A . 31 GLN HG3 1 1 9 7740 1 1 31 GLN N N -0.059 0.088 3.259 1.00 . A A . 31 GLN N 1 1 9 7741 1 1 31 GLN NE2 N -0.879 4.451 2.100 1.00 . A A . 31 GLN NE2 1 1 9 7742 1 1 31 GLN O O 2.488 0.413 5.595 1.00 . A A . 31 GLN O 1 1 9 7743 1 1 31 GLN OE1 O 0.000 4.681 4.126 1.00 . A A . 31 GLN OE1 1 1 9 7744 1 1 32 VAL C C 2.135 -2.482 6.735 1.00 . A A . 32 VAL C 1 1 9 7745 1 1 32 VAL CA C 1.077 -1.417 7.102 1.00 . A A . 32 VAL CA 1 1 9 7746 1 1 32 VAL CB C -0.084 -2.088 7.905 1.00 . A A . 32 VAL CB 1 1 9 7747 1 1 32 VAL CG1 C -1.058 -1.040 8.415 1.00 . A A . 32 VAL CG1 1 1 9 7748 1 1 32 VAL CG2 C -0.813 -3.122 7.048 1.00 . A A . 32 VAL CG2 1 1 9 7749 1 1 32 VAL H H -0.339 -0.855 5.675 1.00 . A A . 32 VAL H 1 1 9 7750 1 1 32 VAL HA H 1.550 -0.702 7.760 1.00 . A A . 32 VAL HA 1 1 9 7751 1 1 32 VAL HB H 0.331 -2.591 8.769 1.00 . A A . 32 VAL HB 1 1 9 7752 1 1 32 VAL HG11 H -1.858 -1.525 8.954 1.00 . A A . 32 VAL HG11 1 1 9 7753 1 1 32 VAL HG12 H -1.472 -0.512 7.570 1.00 . A A . 32 VAL HG12 1 1 9 7754 1 1 32 VAL HG13 H -0.548 -0.353 9.074 1.00 . A A . 32 VAL HG13 1 1 9 7755 1 1 32 VAL HG21 H -1.236 -2.623 6.187 1.00 . A A . 32 VAL HG21 1 1 9 7756 1 1 32 VAL HG22 H -1.598 -3.586 7.626 1.00 . A A . 32 VAL HG22 1 1 9 7757 1 1 32 VAL HG23 H -0.106 -3.875 6.728 1.00 . A A . 32 VAL HG23 1 1 9 7758 1 1 32 VAL N N 0.578 -0.663 5.959 1.00 . A A . 32 VAL N 1 1 9 7759 1 1 32 VAL O O 3.046 -2.729 7.509 1.00 . A A . 32 VAL O 1 1 9 7760 1 1 33 CYS C C 4.261 -3.732 4.679 1.00 . A A . 33 CYS C 1 1 9 7761 1 1 33 CYS CA C 2.906 -4.213 5.207 1.00 . A A . 33 CYS CA 1 1 9 7762 1 1 33 CYS CB C 2.223 -5.158 4.178 1.00 . A A . 33 CYS CB 1 1 9 7763 1 1 33 CYS H H 1.442 -2.736 4.845 1.00 . A A . 33 CYS H 1 1 9 7764 1 1 33 CYS HA H 3.080 -4.767 6.120 1.00 . A A . 33 CYS HA 1 1 9 7765 1 1 33 CYS HB2 H 2.839 -6.011 3.944 1.00 . A A . 33 CYS HB2 1 1 9 7766 1 1 33 CYS HB3 H 1.259 -5.489 4.519 1.00 . A A . 33 CYS HB3 1 1 9 7767 1 1 33 CYS N N 2.037 -3.078 5.544 1.00 . A A . 33 CYS N 1 1 9 7768 1 1 33 CYS O O 5.243 -4.466 4.717 1.00 . A A . 33 CYS O 1 1 9 7769 1 1 33 CYS SG S 1.888 -4.373 2.641 1.00 . A A . 33 CYS SG 1 1 9 7770 1 1 34 VAL C C 6.090 -0.861 4.537 1.00 . A A . 34 VAL C 1 1 9 7771 1 1 34 VAL CA C 5.488 -1.986 3.633 1.00 . A A . 34 VAL CA 1 1 9 7772 1 1 34 VAL CB C 5.196 -1.487 2.203 1.00 . A A . 34 VAL CB 1 1 9 7773 1 1 34 VAL CG1 C 4.380 -0.209 2.157 1.00 . A A . 34 VAL CG1 1 1 9 7774 1 1 34 VAL CG2 C 6.442 -1.383 1.435 1.00 . A A . 34 VAL CG2 1 1 9 7775 1 1 34 VAL H H 3.565 -1.873 4.162 1.00 . A A . 34 VAL H 1 1 9 7776 1 1 34 VAL HA H 6.191 -2.803 3.569 1.00 . A A . 34 VAL HA 1 1 9 7777 1 1 34 VAL HB H 4.588 -2.243 1.730 1.00 . A A . 34 VAL HB 1 1 9 7778 1 1 34 VAL HG11 H 4.262 0.079 1.121 1.00 . A A . 34 VAL HG11 1 1 9 7779 1 1 34 VAL HG12 H 4.962 0.554 2.645 1.00 . A A . 34 VAL HG12 1 1 9 7780 1 1 34 VAL HG13 H 3.405 -0.290 2.625 1.00 . A A . 34 VAL HG13 1 1 9 7781 1 1 34 VAL HG21 H 6.231 -1.007 0.447 1.00 . A A . 34 VAL HG21 1 1 9 7782 1 1 34 VAL HG22 H 6.823 -2.391 1.412 1.00 . A A . 34 VAL HG22 1 1 9 7783 1 1 34 VAL HG23 H 7.064 -0.723 2.023 1.00 . A A . 34 VAL HG23 1 1 9 7784 1 1 34 VAL N N 4.312 -2.496 4.189 1.00 . A A . 34 VAL N 1 1 9 7785 1 1 34 VAL O O 7.011 -0.156 4.154 1.00 . A A . 34 VAL O 1 1 9 7786 1 1 35 GLY C C 5.856 1.685 6.305 1.00 . A A . 35 GLY C 1 1 9 7787 1 1 35 GLY CA C 6.071 0.227 6.717 1.00 . A A . 35 GLY CA 1 1 9 7788 1 1 35 GLY H H 4.957 -1.466 6.057 1.00 . A A . 35 GLY H 1 1 9 7789 1 1 35 GLY HA2 H 5.573 0.069 7.664 1.00 . A A . 35 GLY HA2 1 1 9 7790 1 1 35 GLY HA3 H 7.126 0.055 6.867 1.00 . A A . 35 GLY HA3 1 1 9 7791 1 1 35 GLY N N 5.589 -0.774 5.773 1.00 . A A . 35 GLY N 1 1 9 7792 1 1 35 GLY O O 6.790 2.490 6.382 1.00 . A A . 35 GLY O 1 1 9 7793 1 1 36 VAL C C 3.561 4.010 6.712 1.00 . A A . 36 VAL C 1 1 9 7794 1 1 36 VAL CA C 4.328 3.416 5.547 1.00 . A A . 36 VAL CA 1 1 9 7795 1 1 36 VAL CB C 3.362 3.540 4.310 1.00 . A A . 36 VAL CB 1 1 9 7796 1 1 36 VAL CG1 C 3.041 4.939 3.979 1.00 . A A . 36 VAL CG1 1 1 9 7797 1 1 36 VAL CG2 C 3.893 2.952 3.086 1.00 . A A . 36 VAL CG2 1 1 9 7798 1 1 36 VAL H H 3.959 1.345 5.759 1.00 . A A . 36 VAL H 1 1 9 7799 1 1 36 VAL HA H 5.231 3.976 5.350 1.00 . A A . 36 VAL HA 1 1 9 7800 1 1 36 VAL HB H 2.446 3.024 4.561 1.00 . A A . 36 VAL HB 1 1 9 7801 1 1 36 VAL HG11 H 2.729 5.501 4.844 1.00 . A A . 36 VAL HG11 1 1 9 7802 1 1 36 VAL HG12 H 2.183 4.801 3.335 1.00 . A A . 36 VAL HG12 1 1 9 7803 1 1 36 VAL HG13 H 3.857 5.385 3.429 1.00 . A A . 36 VAL HG13 1 1 9 7804 1 1 36 VAL HG21 H 3.348 3.465 2.300 1.00 . A A . 36 VAL HG21 1 1 9 7805 1 1 36 VAL HG22 H 3.741 1.887 3.064 1.00 . A A . 36 VAL HG22 1 1 9 7806 1 1 36 VAL HG23 H 4.944 3.203 3.036 1.00 . A A . 36 VAL HG23 1 1 9 7807 1 1 36 VAL N N 4.660 2.027 5.868 1.00 . A A . 36 VAL N 1 1 9 7808 1 1 36 VAL O O 2.853 3.294 7.416 1.00 . A A . 36 VAL O 1 1 9 7809 1 1 37 SER C C 2.016 6.950 6.955 1.00 . A A . 37 SER C 1 1 9 7810 1 1 37 SER CA C 2.842 5.985 7.831 1.00 . A A . 37 SER CA 1 1 9 7811 1 1 37 SER CB C 3.699 6.748 8.838 1.00 . A A . 37 SER CB 1 1 9 7812 1 1 37 SER H H 4.292 5.969 6.542 1.00 . A A . 37 SER H 1 1 9 7813 1 1 37 SER HA H 2.215 5.260 8.327 1.00 . A A . 37 SER HA 1 1 9 7814 1 1 37 SER HB2 H 4.264 7.514 8.328 1.00 . A A . 37 SER HB2 1 1 9 7815 1 1 37 SER HB3 H 3.066 7.209 9.583 1.00 . A A . 37 SER HB3 1 1 9 7816 1 1 37 SER HG H 4.524 5.002 9.048 1.00 . A A . 37 SER HG 1 1 9 7817 1 1 37 SER N N 3.690 5.296 6.925 1.00 . A A . 37 SER N 1 1 9 7818 1 1 37 SER O O 2.549 7.447 5.935 1.00 . A A . 37 SER O 1 1 9 7819 1 1 37 SER OG O 4.600 5.859 9.485 1.00 . A A . 37 SER OG 1 1 9 7820 1 1 38 PRO C C 0.453 9.359 5.958 1.00 . A A . 38 PRO C 1 1 9 7821 1 1 38 PRO CA C -0.203 8.066 6.497 1.00 . A A . 38 PRO CA 1 1 9 7822 1 1 38 PRO CB C -1.318 8.407 7.514 1.00 . A A . 38 PRO CB 1 1 9 7823 1 1 38 PRO CD C 0.031 6.650 8.453 1.00 . A A . 38 PRO CD 1 1 9 7824 1 1 38 PRO CG C -0.897 7.769 8.812 1.00 . A A . 38 PRO CG 1 1 9 7825 1 1 38 PRO HA H -0.628 7.517 5.668 1.00 . A A . 38 PRO HA 1 1 9 7826 1 1 38 PRO HB2 H -1.397 9.480 7.610 1.00 . A A . 38 PRO HB2 1 1 9 7827 1 1 38 PRO HB3 H -2.257 8.005 7.169 1.00 . A A . 38 PRO HB3 1 1 9 7828 1 1 38 PRO HD2 H 0.727 6.430 9.252 1.00 . A A . 38 PRO HD2 1 1 9 7829 1 1 38 PRO HD3 H -0.524 5.768 8.160 1.00 . A A . 38 PRO HD3 1 1 9 7830 1 1 38 PRO HG2 H -0.373 8.496 9.413 1.00 . A A . 38 PRO HG2 1 1 9 7831 1 1 38 PRO HG3 H -1.761 7.399 9.343 1.00 . A A . 38 PRO HG3 1 1 9 7832 1 1 38 PRO N N 0.723 7.200 7.291 1.00 . A A . 38 PRO N 1 1 9 7833 1 1 38 PRO O O 0.271 9.727 4.790 1.00 . A A . 38 PRO O 1 1 9 7834 1 1 39 GLU C C 2.865 11.060 5.281 1.00 . A A . 39 GLU C 1 1 9 7835 1 1 39 GLU CA C 1.934 11.247 6.449 1.00 . A A . 39 GLU CA 1 1 9 7836 1 1 39 GLU CB C 2.759 11.730 7.630 1.00 . A A . 39 GLU CB 1 1 9 7837 1 1 39 GLU CD C 2.818 12.502 10.003 1.00 . A A . 39 GLU CD 1 1 9 7838 1 1 39 GLU CG C 1.958 12.041 8.845 1.00 . A A . 39 GLU CG 1 1 9 7839 1 1 39 GLU H H 1.360 9.595 7.687 1.00 . A A . 39 GLU H 1 1 9 7840 1 1 39 GLU HA H 1.199 12.002 6.209 1.00 . A A . 39 GLU HA 1 1 9 7841 1 1 39 GLU HB2 H 3.468 10.957 7.888 1.00 . A A . 39 GLU HB2 1 1 9 7842 1 1 39 GLU HB3 H 3.302 12.614 7.332 1.00 . A A . 39 GLU HB3 1 1 9 7843 1 1 39 GLU HG2 H 1.258 12.792 8.522 1.00 . A A . 39 GLU HG2 1 1 9 7844 1 1 39 GLU HG3 H 1.401 11.154 9.116 1.00 . A A . 39 GLU HG3 1 1 9 7845 1 1 39 GLU N N 1.255 9.995 6.799 1.00 . A A . 39 GLU N 1 1 9 7846 1 1 39 GLU O O 2.916 11.871 4.382 1.00 . A A . 39 GLU O 1 1 9 7847 1 1 39 GLU OE1 O 3.523 13.517 9.860 1.00 . A A . 39 GLU OE1 1 1 9 7848 1 1 39 GLU OE2 O 2.820 11.818 11.063 1.00 . A A . 39 GLU OE2 1 1 9 7849 1 1 40 MET C C 4.032 9.454 2.936 1.00 . A A . 40 MET C 1 1 9 7850 1 1 40 MET CA C 4.597 9.718 4.310 1.00 . A A . 40 MET CA 1 1 9 7851 1 1 40 MET CB C 5.466 8.531 4.728 1.00 . A A . 40 MET CB 1 1 9 7852 1 1 40 MET CE C 8.322 7.149 5.172 1.00 . A A . 40 MET CE 1 1 9 7853 1 1 40 MET CG C 6.185 8.717 6.056 1.00 . A A . 40 MET CG 1 1 9 7854 1 1 40 MET H H 3.218 9.279 5.906 1.00 . A A . 40 MET H 1 1 9 7855 1 1 40 MET HA H 5.225 10.592 4.257 1.00 . A A . 40 MET HA 1 1 9 7856 1 1 40 MET HB2 H 4.848 7.647 4.785 1.00 . A A . 40 MET HB2 1 1 9 7857 1 1 40 MET HB3 H 6.207 8.378 3.959 1.00 . A A . 40 MET HB3 1 1 9 7858 1 1 40 MET HE1 H 8.984 6.316 5.356 1.00 . A A . 40 MET HE1 1 1 9 7859 1 1 40 MET HE2 H 8.901 8.059 5.114 1.00 . A A . 40 MET HE2 1 1 9 7860 1 1 40 MET HE3 H 7.801 6.986 4.240 1.00 . A A . 40 MET HE3 1 1 9 7861 1 1 40 MET HG2 H 6.857 9.561 5.979 1.00 . A A . 40 MET HG2 1 1 9 7862 1 1 40 MET HG3 H 5.446 8.921 6.818 1.00 . A A . 40 MET HG3 1 1 9 7863 1 1 40 MET N N 3.542 9.962 5.285 1.00 . A A . 40 MET N 1 1 9 7864 1 1 40 MET O O 4.426 10.083 1.985 1.00 . A A . 40 MET O 1 1 9 7865 1 1 40 MET SD S 7.132 7.252 6.524 1.00 . A A . 40 MET SD 1 1 9 7866 1 1 41 ALA C C 1.647 9.183 0.884 1.00 . A A . 41 ALA C 1 1 9 7867 1 1 41 ALA CA C 2.523 8.136 1.529 1.00 . A A . 41 ALA CA 1 1 9 7868 1 1 41 ALA CB C 1.730 6.882 1.658 1.00 . A A . 41 ALA CB 1 1 9 7869 1 1 41 ALA H H 2.703 8.061 3.623 1.00 . A A . 41 ALA H 1 1 9 7870 1 1 41 ALA HA H 3.351 7.929 0.866 1.00 . A A . 41 ALA HA 1 1 9 7871 1 1 41 ALA HB1 H 2.322 6.026 1.964 1.00 . A A . 41 ALA HB1 1 1 9 7872 1 1 41 ALA HB2 H 1.235 6.688 0.719 1.00 . A A . 41 ALA HB2 1 1 9 7873 1 1 41 ALA HB3 H 1.001 7.118 2.419 1.00 . A A . 41 ALA HB3 1 1 9 7874 1 1 41 ALA N N 3.065 8.540 2.843 1.00 . A A . 41 ALA N 1 1 9 7875 1 1 41 ALA O O 1.680 9.351 -0.318 1.00 . A A . 41 ALA O 1 1 9 7876 1 1 42 GLU C C 0.636 12.150 0.815 1.00 . A A . 42 GLU C 1 1 9 7877 1 1 42 GLU CA C -0.063 10.828 1.075 1.00 . A A . 42 GLU CA 1 1 9 7878 1 1 42 GLU CB C -1.282 11.040 1.971 1.00 . A A . 42 GLU CB 1 1 9 7879 1 1 42 GLU CD C -3.348 10.104 3.032 1.00 . A A . 42 GLU CD 1 1 9 7880 1 1 42 GLU CG C -2.146 9.812 2.164 1.00 . A A . 42 GLU CG 1 1 9 7881 1 1 42 GLU H H 0.849 9.794 2.637 1.00 . A A . 42 GLU H 1 1 9 7882 1 1 42 GLU HA H -0.394 10.421 0.132 1.00 . A A . 42 GLU HA 1 1 9 7883 1 1 42 GLU HB2 H -0.919 11.321 2.946 1.00 . A A . 42 GLU HB2 1 1 9 7884 1 1 42 GLU HB3 H -1.892 11.831 1.563 1.00 . A A . 42 GLU HB3 1 1 9 7885 1 1 42 GLU HG2 H -2.483 9.457 1.200 1.00 . A A . 42 GLU HG2 1 1 9 7886 1 1 42 GLU HG3 H -1.555 9.046 2.646 1.00 . A A . 42 GLU HG3 1 1 9 7887 1 1 42 GLU N N 0.848 9.869 1.659 1.00 . A A . 42 GLU N 1 1 9 7888 1 1 42 GLU O O 0.264 12.905 -0.089 1.00 . A A . 42 GLU O 1 1 9 7889 1 1 42 GLU OE1 O -3.250 9.963 4.253 1.00 . A A . 42 GLU OE1 1 1 9 7890 1 1 42 GLU OE2 O -4.416 10.504 2.490 1.00 . A A . 42 GLU OE2 1 1 9 7891 1 1 43 ASN C C 3.538 13.665 0.538 1.00 . A A . 43 ASN C 1 1 9 7892 1 1 43 ASN CA C 2.322 13.698 1.437 1.00 . A A . 43 ASN CA 1 1 9 7893 1 1 43 ASN CB C 2.617 14.357 2.773 1.00 . A A . 43 ASN CB 1 1 9 7894 1 1 43 ASN CG C 1.380 14.926 3.464 1.00 . A A . 43 ASN CG 1 1 9 7895 1 1 43 ASN H H 1.857 11.771 2.284 1.00 . A A . 43 ASN H 1 1 9 7896 1 1 43 ASN HA H 1.607 14.326 0.928 1.00 . A A . 43 ASN HA 1 1 9 7897 1 1 43 ASN HB2 H 3.038 13.601 3.421 1.00 . A A . 43 ASN HB2 1 1 9 7898 1 1 43 ASN HB3 H 3.339 15.131 2.615 1.00 . A A . 43 ASN HB3 1 1 9 7899 1 1 43 ASN HD21 H 2.453 16.377 4.301 1.00 . A A . 43 ASN HD21 1 1 9 7900 1 1 43 ASN HD22 H 0.769 16.365 4.662 1.00 . A A . 43 ASN HD22 1 1 9 7901 1 1 43 ASN N N 1.644 12.435 1.589 1.00 . A A . 43 ASN N 1 1 9 7902 1 1 43 ASN ND2 N 1.558 15.989 4.211 1.00 . A A . 43 ASN ND2 1 1 9 7903 1 1 43 ASN O O 3.767 14.607 -0.237 1.00 . A A . 43 ASN O 1 1 9 7904 1 1 43 ASN OD1 O 0.269 14.423 3.313 1.00 . A A . 43 ASN OD1 1 1 9 7905 1 1 44 GLU C C 5.526 11.311 -1.075 1.00 . A A . 44 GLU C 1 1 9 7906 1 1 44 GLU CA C 5.501 12.545 -0.197 1.00 . A A . 44 GLU CA 1 1 9 7907 1 1 44 GLU CB C 6.728 12.602 0.716 1.00 . A A . 44 GLU CB 1 1 9 7908 1 1 44 GLU CD C 8.021 13.960 2.426 1.00 . A A . 44 GLU CD 1 1 9 7909 1 1 44 GLU CG C 6.799 13.878 1.554 1.00 . A A . 44 GLU CG 1 1 9 7910 1 1 44 GLU H H 3.994 11.809 1.078 1.00 . A A . 44 GLU H 1 1 9 7911 1 1 44 GLU HA H 5.510 13.415 -0.838 1.00 . A A . 44 GLU HA 1 1 9 7912 1 1 44 GLU HB2 H 6.704 11.749 1.377 1.00 . A A . 44 GLU HB2 1 1 9 7913 1 1 44 GLU HB3 H 7.613 12.547 0.100 1.00 . A A . 44 GLU HB3 1 1 9 7914 1 1 44 GLU HG2 H 6.802 14.721 0.881 1.00 . A A . 44 GLU HG2 1 1 9 7915 1 1 44 GLU HG3 H 5.918 13.920 2.173 1.00 . A A . 44 GLU HG3 1 1 9 7916 1 1 44 GLU N N 4.282 12.601 0.574 1.00 . A A . 44 GLU N 1 1 9 7917 1 1 44 GLU O O 4.793 10.365 -0.826 1.00 . A A . 44 GLU O 1 1 9 7918 1 1 44 GLU OE1 O 9.062 14.464 1.947 1.00 . A A . 44 GLU OE1 1 1 9 7919 1 1 44 GLU OE2 O 7.959 13.540 3.596 1.00 . A A . 44 GLU OE2 1 1 9 7920 1 1 45 ASP C C 7.077 9.074 -2.241 1.00 . A A . 45 ASP C 1 1 9 7921 1 1 45 ASP CA C 6.509 10.209 -3.027 1.00 . A A . 45 ASP CA 1 1 9 7922 1 1 45 ASP CB C 7.481 10.563 -4.152 1.00 . A A . 45 ASP CB 1 1 9 7923 1 1 45 ASP CG C 7.064 11.794 -4.901 1.00 . A A . 45 ASP CG 1 1 9 7924 1 1 45 ASP H H 6.863 12.152 -2.334 1.00 . A A . 45 ASP H 1 1 9 7925 1 1 45 ASP HA H 5.550 9.935 -3.440 1.00 . A A . 45 ASP HA 1 1 9 7926 1 1 45 ASP HB2 H 8.457 10.736 -3.723 1.00 . A A . 45 ASP HB2 1 1 9 7927 1 1 45 ASP HB3 H 7.538 9.739 -4.847 1.00 . A A . 45 ASP HB3 1 1 9 7928 1 1 45 ASP N N 6.340 11.350 -2.120 1.00 . A A . 45 ASP N 1 1 9 7929 1 1 45 ASP O O 8.075 9.251 -1.529 1.00 . A A . 45 ASP O 1 1 9 7930 1 1 45 ASP OD1 O 7.389 12.910 -4.437 1.00 . A A . 45 ASP OD1 1 1 9 7931 1 1 45 ASP OD2 O 6.405 11.680 -5.940 1.00 . A A . 45 ASP OD2 1 1 9 7932 1 1 46 TYR C C 7.724 5.792 -2.273 1.00 . A A . 46 TYR C 1 1 9 7933 1 1 46 TYR CA C 6.945 6.859 -1.523 1.00 . A A . 46 TYR CA 1 1 9 7934 1 1 46 TYR CB C 5.851 6.308 -0.602 1.00 . A A . 46 TYR CB 1 1 9 7935 1 1 46 TYR CD1 C 7.270 5.595 1.372 1.00 . A A . 46 TYR CD1 1 1 9 7936 1 1 46 TYR CD2 C 6.035 3.971 0.199 1.00 . A A . 46 TYR CD2 1 1 9 7937 1 1 46 TYR CE1 C 7.776 4.619 2.223 1.00 . A A . 46 TYR CE1 1 1 9 7938 1 1 46 TYR CE2 C 6.527 2.982 1.020 1.00 . A A . 46 TYR CE2 1 1 9 7939 1 1 46 TYR CG C 6.379 5.267 0.354 1.00 . A A . 46 TYR CG 1 1 9 7940 1 1 46 TYR CZ C 7.404 3.307 2.028 1.00 . A A . 46 TYR CZ 1 1 9 7941 1 1 46 TYR H H 5.797 7.808 -3.035 1.00 . A A . 46 TYR H 1 1 9 7942 1 1 46 TYR HA H 7.703 7.286 -0.885 1.00 . A A . 46 TYR HA 1 1 9 7943 1 1 46 TYR HB2 H 5.448 7.124 -0.019 1.00 . A A . 46 TYR HB2 1 1 9 7944 1 1 46 TYR HB3 H 5.065 5.857 -1.192 1.00 . A A . 46 TYR HB3 1 1 9 7945 1 1 46 TYR HD1 H 7.542 6.633 1.499 1.00 . A A . 46 TYR HD1 1 1 9 7946 1 1 46 TYR HD2 H 5.336 3.804 -0.601 1.00 . A A . 46 TYR HD2 1 1 9 7947 1 1 46 TYR HE1 H 8.468 4.891 3.009 1.00 . A A . 46 TYR HE1 1 1 9 7948 1 1 46 TYR HE2 H 6.233 1.957 0.867 1.00 . A A . 46 TYR HE2 1 1 9 7949 1 1 46 TYR HH H 7.802 2.534 3.777 1.00 . A A . 46 TYR HH 1 1 9 7950 1 1 46 TYR N N 6.496 7.924 -2.350 1.00 . A A . 46 TYR N 1 1 9 7951 1 1 46 TYR O O 7.384 5.374 -3.378 1.00 . A A . 46 TYR O 1 1 9 7952 1 1 46 TYR OH O 7.895 2.320 2.844 1.00 . A A . 46 TYR OH 1 1 9 7953 1 1 47 ILE C C 9.734 3.215 -1.339 1.00 . A A . 47 ILE C 1 1 9 7954 1 1 47 ILE CA C 9.709 4.451 -2.212 1.00 . A A . 47 ILE CA 1 1 9 7955 1 1 47 ILE CB C 11.133 5.062 -2.241 1.00 . A A . 47 ILE CB 1 1 9 7956 1 1 47 ILE CD1 C 10.650 6.630 -4.251 1.00 . A A . 47 ILE CD1 1 1 9 7957 1 1 47 ILE CG1 C 11.132 6.503 -2.823 1.00 . A A . 47 ILE CG1 1 1 9 7958 1 1 47 ILE CG2 C 12.090 4.169 -3.020 1.00 . A A . 47 ILE CG2 1 1 9 7959 1 1 47 ILE H H 8.753 5.817 -0.771 1.00 . A A . 47 ILE H 1 1 9 7960 1 1 47 ILE HA H 9.416 4.164 -3.215 1.00 . A A . 47 ILE HA 1 1 9 7961 1 1 47 ILE HB H 11.484 5.099 -1.221 1.00 . A A . 47 ILE HB 1 1 9 7962 1 1 47 ILE HD11 H 9.635 6.264 -4.326 1.00 . A A . 47 ILE HD11 1 1 9 7963 1 1 47 ILE HD12 H 11.291 6.041 -4.887 1.00 . A A . 47 ILE HD12 1 1 9 7964 1 1 47 ILE HD13 H 10.696 7.663 -4.565 1.00 . A A . 47 ILE HD13 1 1 9 7965 1 1 47 ILE HG12 H 10.444 7.101 -2.243 1.00 . A A . 47 ILE HG12 1 1 9 7966 1 1 47 ILE HG13 H 12.133 6.905 -2.761 1.00 . A A . 47 ILE HG13 1 1 9 7967 1 1 47 ILE HG21 H 12.136 3.200 -2.546 1.00 . A A . 47 ILE HG21 1 1 9 7968 1 1 47 ILE HG22 H 13.074 4.616 -3.036 1.00 . A A . 47 ILE HG22 1 1 9 7969 1 1 47 ILE HG23 H 11.741 4.049 -4.035 1.00 . A A . 47 ILE HG23 1 1 9 7970 1 1 47 ILE N N 8.778 5.385 -1.648 1.00 . A A . 47 ILE N 1 1 9 7971 1 1 47 ILE O O 9.940 3.312 -0.140 1.00 . A A . 47 ILE O 1 1 9 7972 1 1 48 CYS C C 11.007 0.486 -0.930 1.00 . A A . 48 CYS C 1 1 9 7973 1 1 48 CYS CA C 9.543 0.837 -1.176 1.00 . A A . 48 CYS CA 1 1 9 7974 1 1 48 CYS CB C 8.868 -0.314 -1.937 1.00 . A A . 48 CYS CB 1 1 9 7975 1 1 48 CYS H H 9.305 2.099 -2.889 1.00 . A A . 48 CYS H 1 1 9 7976 1 1 48 CYS HA H 9.050 0.996 -0.228 1.00 . A A . 48 CYS HA 1 1 9 7977 1 1 48 CYS HB2 H 8.709 -1.116 -1.230 1.00 . A A . 48 CYS HB2 1 1 9 7978 1 1 48 CYS HB3 H 7.912 0.000 -2.325 1.00 . A A . 48 CYS HB3 1 1 9 7979 1 1 48 CYS N N 9.505 2.067 -1.933 1.00 . A A . 48 CYS N 1 1 9 7980 1 1 48 CYS O O 11.887 1.004 -1.627 1.00 . A A . 48 CYS O 1 1 9 7981 1 1 48 CYS SG S 9.853 -1.034 -3.286 1.00 . A A . 48 CYS SG 1 1 9 7982 1 1 49 ILE C C 13.386 -1.450 -0.779 1.00 . A A . 49 ILE C 1 1 9 7983 1 1 49 ILE CA C 12.633 -0.786 0.345 1.00 . A A . 49 ILE CA 1 1 9 7984 1 1 49 ILE CB C 12.662 -1.569 1.644 1.00 . A A . 49 ILE CB 1 1 9 7985 1 1 49 ILE CD1 C 12.505 -4.017 0.907 1.00 . A A . 49 ILE CD1 1 1 9 7986 1 1 49 ILE CG1 C 11.864 -2.836 1.613 1.00 . A A . 49 ILE CG1 1 1 9 7987 1 1 49 ILE CG2 C 12.097 -0.698 2.707 1.00 . A A . 49 ILE CG2 1 1 9 7988 1 1 49 ILE H H 10.569 -0.903 0.479 1.00 . A A . 49 ILE H 1 1 9 7989 1 1 49 ILE HA H 13.105 0.153 0.553 1.00 . A A . 49 ILE HA 1 1 9 7990 1 1 49 ILE HB H 13.694 -1.791 1.869 1.00 . A A . 49 ILE HB 1 1 9 7991 1 1 49 ILE HD11 H 11.873 -4.887 1.000 1.00 . A A . 49 ILE HD11 1 1 9 7992 1 1 49 ILE HD12 H 13.462 -4.223 1.363 1.00 . A A . 49 ILE HD12 1 1 9 7993 1 1 49 ILE HD13 H 12.636 -3.795 -0.141 1.00 . A A . 49 ILE HD13 1 1 9 7994 1 1 49 ILE HG12 H 11.826 -2.975 2.671 1.00 . A A . 49 ILE HG12 1 1 9 7995 1 1 49 ILE HG13 H 10.870 -2.635 1.237 1.00 . A A . 49 ILE HG13 1 1 9 7996 1 1 49 ILE HG21 H 11.128 -0.463 2.294 1.00 . A A . 49 ILE HG21 1 1 9 7997 1 1 49 ILE HG22 H 12.706 0.189 2.797 1.00 . A A . 49 ILE HG22 1 1 9 7998 1 1 49 ILE HG23 H 11.989 -1.229 3.639 1.00 . A A . 49 ILE HG23 1 1 9 7999 1 1 49 ILE N N 11.276 -0.428 -0.007 1.00 . A A . 49 ILE N 1 1 9 8000 1 1 49 ILE O O 14.608 -1.426 -0.842 1.00 . A A . 49 ILE O 1 1 9 8001 1 1 50 ASN C C 13.788 -1.678 -3.827 1.00 . A A . 50 ASN C 1 1 9 8002 1 1 50 ASN CA C 13.147 -2.678 -2.876 1.00 . A A . 50 ASN CA 1 1 9 8003 1 1 50 ASN CB C 12.037 -3.431 -3.638 1.00 . A A . 50 ASN CB 1 1 9 8004 1 1 50 ASN CG C 11.394 -4.579 -2.876 1.00 . A A . 50 ASN CG 1 1 9 8005 1 1 50 ASN H H 11.674 -1.854 -1.475 1.00 . A A . 50 ASN H 1 1 9 8006 1 1 50 ASN HA H 13.890 -3.393 -2.553 1.00 . A A . 50 ASN HA 1 1 9 8007 1 1 50 ASN HB2 H 11.263 -2.718 -3.886 1.00 . A A . 50 ASN HB2 1 1 9 8008 1 1 50 ASN HB3 H 12.464 -3.811 -4.552 1.00 . A A . 50 ASN HB3 1 1 9 8009 1 1 50 ASN HD21 H 9.657 -4.293 -3.807 1.00 . A A . 50 ASN HD21 1 1 9 8010 1 1 50 ASN HD22 H 9.729 -5.578 -2.656 1.00 . A A . 50 ASN HD22 1 1 9 8011 1 1 50 ASN N N 12.621 -1.990 -1.690 1.00 . A A . 50 ASN N 1 1 9 8012 1 1 50 ASN ND2 N 10.138 -4.830 -3.145 1.00 . A A . 50 ASN ND2 1 1 9 8013 1 1 50 ASN O O 14.810 -1.949 -4.434 1.00 . A A . 50 ASN O 1 1 9 8014 1 1 50 ASN OD1 O 12.020 -5.237 -2.060 1.00 . A A . 50 ASN OD1 1 1 9 8015 1 1 51 CYS C C 14.626 1.471 -4.092 1.00 . A A . 51 CYS C 1 1 9 8016 1 1 51 CYS CA C 13.690 0.504 -4.839 1.00 . A A . 51 CYS CA 1 1 9 8017 1 1 51 CYS CB C 12.512 1.257 -5.511 1.00 . A A . 51 CYS CB 1 1 9 8018 1 1 51 CYS H H 12.407 -0.340 -3.374 1.00 . A A . 51 CYS H 1 1 9 8019 1 1 51 CYS HA H 14.265 0.000 -5.601 1.00 . A A . 51 CYS HA 1 1 9 8020 1 1 51 CYS HB2 H 11.909 1.718 -4.745 1.00 . A A . 51 CYS HB2 1 1 9 8021 1 1 51 CYS HB3 H 12.822 2.038 -6.194 1.00 . A A . 51 CYS HB3 1 1 9 8022 1 1 51 CYS N N 13.190 -0.516 -3.936 1.00 . A A . 51 CYS N 1 1 9 8023 1 1 51 CYS O O 15.260 2.337 -4.694 1.00 . A A . 51 CYS O 1 1 9 8024 1 1 51 CYS SG S 11.393 0.199 -6.462 1.00 . A A . 51 CYS SG 1 1 9 8025 1 1 52 ALA C C 16.984 1.597 -1.802 1.00 . A A . 52 ALA C 1 1 9 8026 1 1 52 ALA CA C 15.566 2.159 -1.949 1.00 . A A . 52 ALA CA 1 1 9 8027 1 1 52 ALA CB C 14.933 2.350 -0.584 1.00 . A A . 52 ALA CB 1 1 9 8028 1 1 52 ALA H H 14.220 0.546 -2.404 1.00 . A A . 52 ALA H 1 1 9 8029 1 1 52 ALA HA H 15.639 3.124 -2.430 1.00 . A A . 52 ALA HA 1 1 9 8030 1 1 52 ALA HB1 H 15.476 3.086 -0.009 1.00 . A A . 52 ALA HB1 1 1 9 8031 1 1 52 ALA HB2 H 14.937 1.401 -0.064 1.00 . A A . 52 ALA HB2 1 1 9 8032 1 1 52 ALA HB3 H 13.916 2.690 -0.717 1.00 . A A . 52 ALA HB3 1 1 9 8033 1 1 52 ALA N N 14.722 1.295 -2.787 1.00 . A A . 52 ALA N 1 1 9 8034 2 2 1 ALA C C 1.160 8.672 -4.201 1.00 . B B . 301 ALA C 1 1 9 8035 2 2 1 ALA CA C 2.614 8.826 -3.787 1.00 . B B . 301 ALA CA 1 1 9 8036 2 2 1 ALA CB C 2.989 7.731 -2.795 1.00 . B B . 301 ALA CB 1 1 9 8037 2 2 1 ALA HA H 3.227 8.707 -4.669 1.00 . B B . 301 ALA HA 1 1 9 8038 2 2 1 ALA HB1 H 4.037 7.792 -2.549 1.00 . B B . 301 ALA HB1 1 1 9 8039 2 2 1 ALA HB2 H 2.785 6.776 -3.259 1.00 . B B . 301 ALA HB2 1 1 9 8040 2 2 1 ALA HB3 H 2.391 7.813 -1.899 1.00 . B B . 301 ALA HB3 1 1 9 8041 2 2 1 ALA N N 2.879 10.181 -3.229 1.00 . B B . 301 ALA N 1 1 9 8042 2 2 1 ALA O O 0.300 9.522 -3.899 1.00 . B B . 301 ALA O 1 1 9 8043 2 2 2 ARG C C -1.063 6.305 -4.342 1.00 . B B . 302 ARG C 1 1 9 8044 2 2 2 ARG CA C -0.459 7.297 -5.314 1.00 . B B . 302 ARG CA 1 1 9 8045 2 2 2 ARG CB C -0.460 6.745 -6.745 1.00 . B B . 302 ARG CB 1 1 9 8046 2 2 2 ARG CD C 0.144 7.173 -9.178 1.00 . B B . 302 ARG CD 1 1 9 8047 2 2 2 ARG CG C 0.131 7.725 -7.755 1.00 . B B . 302 ARG CG 1 1 9 8048 2 2 2 ARG CZ C 2.142 5.857 -9.962 1.00 . B B . 302 ARG CZ 1 1 9 8049 2 2 2 ARG H H 1.614 6.981 -5.105 1.00 . B B . 302 ARG H 1 1 9 8050 2 2 2 ARG HA H -1.027 8.216 -5.283 1.00 . B B . 302 ARG HA 1 1 9 8051 2 2 2 ARG HB2 H 0.109 5.828 -6.778 1.00 . B B . 302 ARG HB2 1 1 9 8052 2 2 2 ARG HB3 H -1.484 6.545 -7.020 1.00 . B B . 302 ARG HB3 1 1 9 8053 2 2 2 ARG HD2 H -0.874 6.951 -9.468 1.00 . B B . 302 ARG HD2 1 1 9 8054 2 2 2 ARG HD3 H 0.539 7.934 -9.831 1.00 . B B . 302 ARG HD3 1 1 9 8055 2 2 2 ARG HE H 0.558 5.136 -8.909 1.00 . B B . 302 ARG HE 1 1 9 8056 2 2 2 ARG HG2 H -0.448 8.634 -7.737 1.00 . B B . 302 ARG HG2 1 1 9 8057 2 2 2 ARG HG3 H 1.144 7.954 -7.457 1.00 . B B . 302 ARG HG3 1 1 9 8058 2 2 2 ARG HH11 H 2.324 7.861 -10.366 1.00 . B B . 302 ARG HH11 1 1 9 8059 2 2 2 ARG HH12 H 3.611 6.911 -10.925 1.00 . B B . 302 ARG HH12 1 1 9 8060 2 2 2 ARG HH21 H 2.336 3.829 -9.728 1.00 . B B . 302 ARG HH21 1 1 9 8061 2 2 2 ARG HH22 H 3.621 4.514 -10.563 1.00 . B B . 302 ARG HH22 1 1 9 8062 2 2 2 ARG N N 0.880 7.596 -4.892 1.00 . B B . 302 ARG N 1 1 9 8063 2 2 2 ARG NE N 0.956 5.946 -9.310 1.00 . B B . 302 ARG NE 1 1 9 8064 2 2 2 ARG NH1 N 2.724 6.946 -10.456 1.00 . B B . 302 ARG NH1 1 1 9 8065 2 2 2 ARG NH2 N 2.737 4.666 -10.096 1.00 . B B . 302 ARG NH2 1 1 9 8066 2 2 2 ARG O O -0.566 5.195 -4.192 1.00 . B B . 302 ARG O 1 1 9 8067 2 2 3 THR C C -4.134 5.482 -3.130 1.00 . B B . 303 THR C 1 1 9 8068 2 2 3 THR CA C -2.736 5.895 -2.674 1.00 . B B . 303 THR CA 1 1 9 8069 2 2 3 THR CB C -2.823 6.644 -1.340 1.00 . B B . 303 THR CB 1 1 9 8070 2 2 3 THR CG2 C -1.457 6.716 -0.691 1.00 . B B . 303 THR CG2 1 1 9 8071 2 2 3 THR H H -2.440 7.629 -3.759 1.00 . B B . 303 THR H 1 1 9 8072 2 2 3 THR HA H -2.135 5.010 -2.515 1.00 . B B . 303 THR HA 1 1 9 8073 2 2 3 THR HB H -3.505 6.116 -0.688 1.00 . B B . 303 THR HB 1 1 9 8074 2 2 3 THR HG1 H -3.881 8.248 -0.822 1.00 . B B . 303 THR HG1 1 1 9 8075 2 2 3 THR HG21 H -1.535 7.204 0.271 1.00 . B B . 303 THR HG21 1 1 9 8076 2 2 3 THR HG22 H -0.791 7.266 -1.340 1.00 . B B . 303 THR HG22 1 1 9 8077 2 2 3 THR HG23 H -1.094 5.702 -0.597 1.00 . B B . 303 THR HG23 1 1 9 8078 2 2 3 THR N N -2.081 6.722 -3.650 1.00 . B B . 303 THR N 1 1 9 8079 2 2 3 THR O O -4.650 6.000 -4.133 1.00 . B B . 303 THR O 1 1 9 8080 2 2 3 THR OG1 O -3.331 7.976 -1.569 1.00 . B B . 303 THR OG1 1 1 9 8081 2 2 4 . C C -6.610 3.257 -1.560 1.00 . B B . 304 M3L C 1 1 9 8082 2 2 4 . CA C -6.082 4.077 -2.716 1.00 . B B . 304 M3L CA 1 1 9 8083 2 2 4 . CB C -6.076 3.195 -3.975 1.00 . B B . 304 M3L CB 1 1 9 8084 2 2 4 . CD C -5.023 1.202 -5.068 1.00 . B B . 304 M3L CD 1 1 9 8085 2 2 4 . CE C -6.240 0.411 -5.482 1.00 . B B . 304 M3L CE 1 1 9 8086 2 2 4 . CG C -5.182 2.026 -3.824 1.00 . B B . 304 M3L CG 1 1 9 8087 2 2 4 . CM1 C -4.788 -1.361 -6.449 1.00 . B B . 304 M3L CM1 1 1 9 8088 2 2 4 . CM2 C -5.642 0.451 -7.882 1.00 . B B . 304 M3L CM2 1 1 9 8089 2 2 4 . CM3 C -7.083 -1.298 -7.032 1.00 . B B . 304 M3L CM3 1 1 9 8090 2 2 4 . H H -4.251 4.129 -1.660 1.00 . B B . 304 M3L H 1 1 9 8091 2 2 4 . HA H -6.716 4.935 -2.890 1.00 . B B . 304 M3L HA 1 1 9 8092 2 2 4 . HB2 H -5.763 3.757 -4.842 1.00 . B B . 304 M3L HB2 1 1 9 8093 2 2 4 . HB3 H -7.061 2.776 -4.104 1.00 . B B . 304 M3L HB3 1 1 9 8094 2 2 4 . HD2 H -4.179 0.545 -4.928 1.00 . B B . 304 M3L HD2 1 1 9 8095 2 2 4 . HD3 H -4.787 1.909 -5.842 1.00 . B B . 304 M3L HD3 1 1 9 8096 2 2 4 . HE2 H -7.065 1.079 -5.681 1.00 . B B . 304 M3L HE2 1 1 9 8097 2 2 4 . HE3 H -6.466 -0.224 -4.641 1.00 . B B . 304 M3L HE3 1 1 9 8098 2 2 4 . HG2 H -5.577 1.417 -3.024 1.00 . B B . 304 M3L HG2 1 1 9 8099 2 2 4 . HG3 H -4.212 2.415 -3.561 1.00 . B B . 304 M3L HG3 1 1 9 8100 2 2 4 . HM11 H -4.944 -2.039 -5.616 1.00 . B B . 304 M3L HM11 1 1 9 8101 2 2 4 . HM12 H -3.873 -0.817 -6.249 1.00 . B B . 304 M3L HM12 1 1 9 8102 2 2 4 . HM13 H -4.525 -1.974 -7.298 1.00 . B B . 304 M3L HM13 1 1 9 8103 2 2 4 . HM21 H -5.204 -0.087 -8.710 1.00 . B B . 304 M3L HM21 1 1 9 8104 2 2 4 . HM22 H -4.938 1.240 -7.657 1.00 . B B . 304 M3L HM22 1 1 9 8105 2 2 4 . HM23 H -6.527 0.932 -8.271 1.00 . B B . 304 M3L HM23 1 1 9 8106 2 2 4 . HM31 H -7.404 -1.894 -6.190 1.00 . B B . 304 M3L HM31 1 1 9 8107 2 2 4 . HM32 H -6.857 -1.989 -7.828 1.00 . B B . 304 M3L HM32 1 1 9 8108 2 2 4 . HM33 H -7.938 -0.729 -7.366 1.00 . B B . 304 M3L HM33 1 1 9 8109 2 2 4 . N N -4.731 4.544 -2.416 1.00 . B B . 304 M3L N 1 1 9 8110 2 2 4 . NZ N -5.943 -0.448 -6.712 1.00 . B B . 304 M3L NZ 1 1 9 8111 2 2 4 . O O -5.872 2.947 -0.611 1.00 . B B . 304 M3L O 1 1 9 8112 2 2 5 GLN C C -9.554 1.256 -1.458 1.00 . B B . 305 GLN C 1 1 9 8113 2 2 5 GLN CA C -8.517 2.065 -0.693 1.00 . B B . 305 GLN CA 1 1 9 8114 2 2 5 GLN CB C -9.183 2.935 0.377 1.00 . B B . 305 GLN CB 1 1 9 8115 2 2 5 GLN CD C -10.366 3.039 2.589 1.00 . B B . 305 GLN CD 1 1 9 8116 2 2 5 GLN CG C -9.713 2.154 1.561 1.00 . B B . 305 GLN CG 1 1 9 8117 2 2 5 GLN H H -8.378 3.177 -2.444 1.00 . B B . 305 GLN H 1 1 9 8118 2 2 5 GLN HA H -7.791 1.402 -0.246 1.00 . B B . 305 GLN HA 1 1 9 8119 2 2 5 GLN HB2 H -8.464 3.655 0.741 1.00 . B B . 305 GLN HB2 1 1 9 8120 2 2 5 GLN HB3 H -10.008 3.472 -0.073 1.00 . B B . 305 GLN HB3 1 1 9 8121 2 2 5 GLN HE21 H -8.612 3.370 3.471 1.00 . B B . 305 GLN HE21 1 1 9 8122 2 2 5 GLN HE22 H -9.970 4.141 4.184 1.00 . B B . 305 GLN HE22 1 1 9 8123 2 2 5 GLN HG2 H -10.443 1.435 1.214 1.00 . B B . 305 GLN HG2 1 1 9 8124 2 2 5 GLN HG3 H -8.895 1.629 2.033 1.00 . B B . 305 GLN HG3 1 1 9 8125 2 2 5 GLN N N -7.856 2.888 -1.662 1.00 . B B . 305 GLN N 1 1 9 8126 2 2 5 GLN NE2 N -9.586 3.563 3.495 1.00 . B B . 305 GLN NE2 1 1 9 8127 2 2 5 GLN O O -10.470 1.827 -2.050 1.00 . B B . 305 GLN O 1 1 9 8128 2 2 5 GLN OE1 O -11.581 3.279 2.542 1.00 . B B . 305 GLN OE1 1 1 9 8129 2 2 6 THR C C -11.597 -1.216 -1.642 1.00 . B B . 306 THR C 1 1 9 8130 2 2 6 THR CA C -10.239 -0.912 -2.289 1.00 . B B . 306 THR CA 1 1 9 8131 2 2 6 THR CB C -9.501 -2.217 -2.646 1.00 . B B . 306 THR CB 1 1 9 8132 2 2 6 THR CG2 C -8.354 -1.944 -3.618 1.00 . B B . 306 THR CG2 1 1 9 8133 2 2 6 THR H H -8.683 -0.451 -0.934 1.00 . B B . 306 THR H 1 1 9 8134 2 2 6 THR HA H -10.427 -0.381 -3.211 1.00 . B B . 306 THR HA 1 1 9 8135 2 2 6 THR HB H -10.207 -2.893 -3.107 1.00 . B B . 306 THR HB 1 1 9 8136 2 2 6 THR HG1 H -9.607 -3.508 -1.191 1.00 . B B . 306 THR HG1 1 1 9 8137 2 2 6 THR HG21 H -7.614 -1.313 -3.142 1.00 . B B . 306 THR HG21 1 1 9 8138 2 2 6 THR HG22 H -8.722 -1.454 -4.505 1.00 . B B . 306 THR HG22 1 1 9 8139 2 2 6 THR HG23 H -7.863 -2.867 -3.895 1.00 . B B . 306 THR HG23 1 1 9 8140 2 2 6 THR N N -9.391 -0.048 -1.479 1.00 . B B . 306 THR N 1 1 9 8141 2 2 6 THR O O -12.613 -1.329 -2.341 1.00 . B B . 306 THR O 1 1 9 8142 2 2 6 THR OG1 O -8.978 -2.822 -1.439 1.00 . B B . 306 THR OG1 1 1 9 8143 2 2 7 ALA C C -13.391 -3.062 0.156 1.00 . B B . 307 ALA C 1 1 9 8144 2 2 7 ALA CA C -12.813 -1.659 0.476 1.00 . B B . 307 ALA CA 1 1 9 8145 2 2 7 ALA CB C -13.872 -0.566 0.321 1.00 . B B . 307 ALA CB 1 1 9 8146 2 2 7 ALA H H -10.746 -1.247 0.154 1.00 . B B . 307 ALA H 1 1 9 8147 2 2 7 ALA HA H -12.490 -1.675 1.508 1.00 . B B . 307 ALA HA 1 1 9 8148 2 2 7 ALA HB1 H -14.231 -0.554 -0.699 1.00 . B B . 307 ALA HB1 1 1 9 8149 2 2 7 ALA HB2 H -13.417 0.385 0.553 1.00 . B B . 307 ALA HB2 1 1 9 8150 2 2 7 ALA HB3 H -14.698 -0.750 0.992 1.00 . B B . 307 ALA HB3 1 1 9 8151 2 2 7 ALA N N -11.600 -1.353 -0.309 1.00 . B B . 307 ALA N 1 1 9 8152 2 2 7 ALA O O -12.906 -3.768 -0.753 1.00 . B B . 307 ALA O 1 1 9 8153 2 2 8 ARG C C -16.546 -4.700 0.778 1.00 . B B . 308 ARG C 1 1 9 8154 2 2 8 ARG CA C -15.032 -4.782 0.720 1.00 . B B . 308 ARG CA 1 1 9 8155 2 2 8 ARG CB C -14.520 -5.843 1.719 1.00 . B B . 308 ARG CB 1 1 9 8156 2 2 8 ARG CD C -12.850 -6.983 0.212 1.00 . B B . 308 ARG CD 1 1 9 8157 2 2 8 ARG CG C -13.069 -6.265 1.538 1.00 . B B . 308 ARG CG 1 1 9 8158 2 2 8 ARG CZ C -13.839 -8.916 -1.028 1.00 . B B . 308 ARG CZ 1 1 9 8159 2 2 8 ARG H H -14.742 -2.891 1.623 1.00 . B B . 308 ARG H 1 1 9 8160 2 2 8 ARG HA H -14.766 -5.096 -0.278 1.00 . B B . 308 ARG HA 1 1 9 8161 2 2 8 ARG HB2 H -14.621 -5.448 2.718 1.00 . B B . 308 ARG HB2 1 1 9 8162 2 2 8 ARG HB3 H -15.141 -6.720 1.627 1.00 . B B . 308 ARG HB3 1 1 9 8163 2 2 8 ARG HD2 H -13.096 -6.315 -0.600 1.00 . B B . 308 ARG HD2 1 1 9 8164 2 2 8 ARG HD3 H -11.809 -7.267 0.133 1.00 . B B . 308 ARG HD3 1 1 9 8165 2 2 8 ARG HE H -14.137 -8.466 0.925 1.00 . B B . 308 ARG HE 1 1 9 8166 2 2 8 ARG HG2 H -12.449 -5.380 1.565 1.00 . B B . 308 ARG HG2 1 1 9 8167 2 2 8 ARG HG3 H -12.784 -6.925 2.344 1.00 . B B . 308 ARG HG3 1 1 9 8168 2 2 8 ARG HH11 H -12.537 -7.813 -2.178 1.00 . B B . 308 ARG HH11 1 1 9 8169 2 2 8 ARG HH12 H -13.280 -9.085 -2.991 1.00 . B B . 308 ARG HH12 1 1 9 8170 2 2 8 ARG HH21 H -15.161 -10.268 -0.225 1.00 . B B . 308 ARG HH21 1 1 9 8171 2 2 8 ARG HH22 H -14.810 -10.529 -1.857 1.00 . B B . 308 ARG HH22 1 1 9 8172 2 2 8 ARG N N -14.399 -3.475 0.918 1.00 . B B . 308 ARG N 1 1 9 8173 2 2 8 ARG NE N -13.679 -8.203 0.097 1.00 . B B . 308 ARG NE 1 1 9 8174 2 2 8 ARG NH1 N -13.176 -8.583 -2.129 1.00 . B B . 308 ARG NH1 1 1 9 8175 2 2 8 ARG NH2 N -14.653 -9.972 -1.040 1.00 . B B . 308 ARG NH2 1 1 9 8176 2 2 8 ARG O O -17.206 -4.699 -0.254 1.00 . B B . 308 ARG O 1 1 9 8177 2 2 9 LYS C C -19.111 -3.182 2.160 1.00 . B B . 309 LYS C 1 1 9 8178 2 2 9 LYS CA C -18.561 -4.602 2.156 1.00 . B B . 309 LYS CA 1 1 9 8179 2 2 9 LYS CB C -18.953 -5.315 3.457 1.00 . B B . 309 LYS CB 1 1 9 8180 2 2 9 LYS CD C -18.836 -7.381 4.882 1.00 . B B . 309 LYS CD 1 1 9 8181 2 2 9 LYS CE C -18.344 -8.821 4.971 1.00 . B B . 309 LYS CE 1 1 9 8182 2 2 9 LYS CG C -18.500 -6.770 3.534 1.00 . B B . 309 LYS CG 1 1 9 8183 2 2 9 LYS H H -16.535 -4.542 2.794 1.00 . B B . 309 LYS H 1 1 9 8184 2 2 9 LYS HA H -18.981 -5.145 1.322 1.00 . B B . 309 LYS HA 1 1 9 8185 2 2 9 LYS HB2 H -18.510 -4.777 4.283 1.00 . B B . 309 LYS HB2 1 1 9 8186 2 2 9 LYS HB3 H -20.030 -5.289 3.557 1.00 . B B . 309 LYS HB3 1 1 9 8187 2 2 9 LYS HD2 H -18.362 -6.788 5.650 1.00 . B B . 309 LYS HD2 1 1 9 8188 2 2 9 LYS HD3 H -19.906 -7.357 5.021 1.00 . B B . 309 LYS HD3 1 1 9 8189 2 2 9 LYS HE2 H -18.834 -9.426 4.222 1.00 . B B . 309 LYS HE2 1 1 9 8190 2 2 9 LYS HE3 H -17.281 -8.829 4.783 1.00 . B B . 309 LYS HE3 1 1 9 8191 2 2 9 LYS HG2 H -19.015 -7.327 2.764 1.00 . B B . 309 LYS HG2 1 1 9 8192 2 2 9 LYS HG3 H -17.434 -6.815 3.372 1.00 . B B . 309 LYS HG3 1 1 9 8193 2 2 9 LYS HZ1 H -19.600 -9.411 6.556 1.00 . B B . 309 LYS HZ1 1 1 9 8194 2 2 9 LYS HZ2 H -18.084 -8.879 7.033 1.00 . B B . 309 LYS HZ2 1 1 9 8195 2 2 9 LYS HZ3 H -18.282 -10.410 6.337 1.00 . B B . 309 LYS HZ3 1 1 9 8196 2 2 9 LYS N N -17.096 -4.613 1.985 1.00 . B B . 309 LYS N 1 1 9 8197 2 2 9 LYS NZ N -18.593 -9.417 6.302 1.00 . B B . 309 LYS NZ 1 1 9 8198 3 3 1 ZN ZN ZN 9.430 -0.009 -5.301 1.00 . C A . 53 ZN ZN 1 1 9 8199 4 3 1 ZN ZN ZN 0.586 -5.704 1.294 1.00 . D A . 54 ZN ZN 1 1 10 8200 1 1 1 SER C C -5.292 -7.996 -1.403 1.00 . A A . 1 SER C 1 1 10 8201 1 1 1 SER CA C -6.772 -7.800 -1.787 1.00 . A A . 1 SER CA 1 1 10 8202 1 1 1 SER CB C -7.610 -9.045 -1.447 1.00 . A A . 1 SER CB 1 1 10 8203 1 1 1 SER HA H -7.133 -6.956 -1.217 1.00 . A A . 1 SER HA 1 1 10 8204 1 1 1 SER HB2 H -7.276 -9.873 -2.055 1.00 . A A . 1 SER HB2 1 1 10 8205 1 1 1 SER HB3 H -7.484 -9.287 -0.402 1.00 . A A . 1 SER HB3 1 1 10 8206 1 1 1 SER HG H -9.332 -9.540 -2.266 1.00 . A A . 1 SER HG 1 1 10 8207 1 1 1 SER N N -6.918 -7.451 -3.229 1.00 . A A . 1 SER N 1 1 10 8208 1 1 1 SER O O -4.860 -7.613 -0.294 1.00 . A A . 1 SER O 1 1 10 8209 1 1 1 SER OG O -9.001 -8.819 -1.713 1.00 . A A . 1 SER OG 1 1 10 8210 1 1 2 VAL C C -2.325 -7.800 -2.958 1.00 . A A . 2 VAL C 1 1 10 8211 1 1 2 VAL CA C -3.102 -8.779 -2.101 1.00 . A A . 2 VAL CA 1 1 10 8212 1 1 2 VAL CB C -2.664 -10.237 -2.452 1.00 . A A . 2 VAL CB 1 1 10 8213 1 1 2 VAL CG1 C -1.196 -10.478 -2.081 1.00 . A A . 2 VAL CG1 1 1 10 8214 1 1 2 VAL CG2 C -3.564 -11.261 -1.781 1.00 . A A . 2 VAL CG2 1 1 10 8215 1 1 2 VAL H H -4.897 -8.763 -3.197 1.00 . A A . 2 VAL H 1 1 10 8216 1 1 2 VAL HA H -2.896 -8.574 -1.059 1.00 . A A . 2 VAL HA 1 1 10 8217 1 1 2 VAL HB H -2.751 -10.345 -3.523 1.00 . A A . 2 VAL HB 1 1 10 8218 1 1 2 VAL HG11 H -0.567 -9.793 -2.634 1.00 . A A . 2 VAL HG11 1 1 10 8219 1 1 2 VAL HG12 H -0.921 -11.496 -2.320 1.00 . A A . 2 VAL HG12 1 1 10 8220 1 1 2 VAL HG13 H -1.062 -10.303 -1.023 1.00 . A A . 2 VAL HG13 1 1 10 8221 1 1 2 VAL HG21 H -3.511 -11.121 -0.713 1.00 . A A . 2 VAL HG21 1 1 10 8222 1 1 2 VAL HG22 H -3.222 -12.254 -2.033 1.00 . A A . 2 VAL HG22 1 1 10 8223 1 1 2 VAL HG23 H -4.583 -11.126 -2.115 1.00 . A A . 2 VAL HG23 1 1 10 8224 1 1 2 VAL N N -4.518 -8.541 -2.321 1.00 . A A . 2 VAL N 1 1 10 8225 1 1 2 VAL O O -2.721 -7.497 -4.074 1.00 . A A . 2 VAL O 1 1 10 8226 1 1 3 CYS C C 0.895 -6.924 -3.358 1.00 . A A . 3 CYS C 1 1 10 8227 1 1 3 CYS CA C -0.465 -6.301 -3.089 1.00 . A A . 3 CYS CA 1 1 10 8228 1 1 3 CYS CB C -0.266 -5.150 -2.157 1.00 . A A . 3 CYS CB 1 1 10 8229 1 1 3 CYS H H -0.940 -7.642 -1.569 1.00 . A A . 3 CYS H 1 1 10 8230 1 1 3 CYS HA H -0.936 -5.972 -4.005 1.00 . A A . 3 CYS HA 1 1 10 8231 1 1 3 CYS HB2 H -0.120 -4.244 -2.725 1.00 . A A . 3 CYS HB2 1 1 10 8232 1 1 3 CYS HB3 H -1.148 -5.045 -1.545 1.00 . A A . 3 CYS HB3 1 1 10 8233 1 1 3 CYS N N -1.257 -7.303 -2.431 1.00 . A A . 3 CYS N 1 1 10 8234 1 1 3 CYS O O 1.130 -8.059 -2.938 1.00 . A A . 3 CYS O 1 1 10 8235 1 1 3 CYS SG S 1.122 -5.422 -1.051 1.00 . A A . 3 CYS SG 1 1 10 8236 1 1 4 ALA C C 4.151 -6.268 -3.307 1.00 . A A . 4 ALA C 1 1 10 8237 1 1 4 ALA CA C 3.072 -6.837 -4.226 1.00 . A A . 4 ALA CA 1 1 10 8238 1 1 4 ALA CB C 3.500 -6.649 -5.643 1.00 . A A . 4 ALA CB 1 1 10 8239 1 1 4 ALA H H 1.473 -5.312 -4.232 1.00 . A A . 4 ALA H 1 1 10 8240 1 1 4 ALA HA H 2.983 -7.899 -4.055 1.00 . A A . 4 ALA HA 1 1 10 8241 1 1 4 ALA HB1 H 3.649 -5.582 -5.726 1.00 . A A . 4 ALA HB1 1 1 10 8242 1 1 4 ALA HB2 H 2.720 -6.993 -6.309 1.00 . A A . 4 ALA HB2 1 1 10 8243 1 1 4 ALA HB3 H 4.439 -7.157 -5.806 1.00 . A A . 4 ALA HB3 1 1 10 8244 1 1 4 ALA N N 1.790 -6.223 -4.025 1.00 . A A . 4 ALA N 1 1 10 8245 1 1 4 ALA O O 5.030 -5.529 -3.735 1.00 . A A . 4 ALA O 1 1 10 8246 1 1 5 ALA C C 5.628 -7.821 -0.679 1.00 . A A . 5 ALA C 1 1 10 8247 1 1 5 ALA CA C 5.138 -6.437 -1.107 1.00 . A A . 5 ALA CA 1 1 10 8248 1 1 5 ALA CB C 4.715 -5.628 0.122 1.00 . A A . 5 ALA CB 1 1 10 8249 1 1 5 ALA H H 3.115 -6.453 -1.697 1.00 . A A . 5 ALA H 1 1 10 8250 1 1 5 ALA HA H 5.887 -5.869 -1.644 1.00 . A A . 5 ALA HA 1 1 10 8251 1 1 5 ALA HB1 H 4.329 -4.665 -0.178 1.00 . A A . 5 ALA HB1 1 1 10 8252 1 1 5 ALA HB2 H 5.587 -5.453 0.730 1.00 . A A . 5 ALA HB2 1 1 10 8253 1 1 5 ALA HB3 H 3.969 -6.160 0.698 1.00 . A A . 5 ALA HB3 1 1 10 8254 1 1 5 ALA N N 4.018 -6.556 -2.026 1.00 . A A . 5 ALA N 1 1 10 8255 1 1 5 ALA O O 4.820 -8.743 -0.548 1.00 . A A . 5 ALA O 1 1 10 8256 1 1 6 GLN C C 6.945 -9.800 1.254 1.00 . A A . 6 GLN C 1 1 10 8257 1 1 6 GLN CA C 7.556 -9.247 -0.021 1.00 . A A . 6 GLN CA 1 1 10 8258 1 1 6 GLN CB C 9.068 -9.130 0.161 1.00 . A A . 6 GLN CB 1 1 10 8259 1 1 6 GLN CD C 11.334 -8.734 -0.844 1.00 . A A . 6 GLN CD 1 1 10 8260 1 1 6 GLN CG C 9.847 -8.867 -1.106 1.00 . A A . 6 GLN CG 1 1 10 8261 1 1 6 GLN H H 7.517 -7.192 -0.676 1.00 . A A . 6 GLN H 1 1 10 8262 1 1 6 GLN HA H 7.371 -9.985 -0.784 1.00 . A A . 6 GLN HA 1 1 10 8263 1 1 6 GLN HB2 H 9.288 -8.323 0.844 1.00 . A A . 6 GLN HB2 1 1 10 8264 1 1 6 GLN HB3 H 9.427 -10.057 0.585 1.00 . A A . 6 GLN HB3 1 1 10 8265 1 1 6 GLN HE21 H 11.748 -9.439 -2.643 1.00 . A A . 6 GLN HE21 1 1 10 8266 1 1 6 GLN HE22 H 13.107 -9.031 -1.648 1.00 . A A . 6 GLN HE22 1 1 10 8267 1 1 6 GLN HG2 H 9.699 -9.692 -1.784 1.00 . A A . 6 GLN HG2 1 1 10 8268 1 1 6 GLN HG3 H 9.500 -7.950 -1.560 1.00 . A A . 6 GLN HG3 1 1 10 8269 1 1 6 GLN N N 6.948 -7.963 -0.469 1.00 . A A . 6 GLN N 1 1 10 8270 1 1 6 GLN NE2 N 12.141 -9.103 -1.807 1.00 . A A . 6 GLN NE2 1 1 10 8271 1 1 6 GLN O O 6.608 -10.984 1.321 1.00 . A A . 6 GLN O 1 1 10 8272 1 1 6 GLN OE1 O 11.745 -8.298 0.216 1.00 . A A . 6 GLN OE1 1 1 10 8273 1 1 7 ASN C C 4.855 -8.959 3.650 1.00 . A A . 7 ASN C 1 1 10 8274 1 1 7 ASN CA C 6.263 -9.469 3.515 1.00 . A A . 7 ASN CA 1 1 10 8275 1 1 7 ASN CB C 7.123 -8.980 4.686 1.00 . A A . 7 ASN CB 1 1 10 8276 1 1 7 ASN CG C 6.802 -9.659 6.039 1.00 . A A . 7 ASN CG 1 1 10 8277 1 1 7 ASN H H 7.016 -8.030 2.191 1.00 . A A . 7 ASN H 1 1 10 8278 1 1 7 ASN HA H 6.257 -10.548 3.488 1.00 . A A . 7 ASN HA 1 1 10 8279 1 1 7 ASN HB2 H 8.150 -9.179 4.420 1.00 . A A . 7 ASN HB2 1 1 10 8280 1 1 7 ASN HB3 H 6.993 -7.911 4.786 1.00 . A A . 7 ASN HB3 1 1 10 8281 1 1 7 ASN HD21 H 8.636 -9.278 6.691 1.00 . A A . 7 ASN HD21 1 1 10 8282 1 1 7 ASN HD22 H 7.588 -10.099 7.789 1.00 . A A . 7 ASN HD22 1 1 10 8283 1 1 7 ASN N N 6.797 -8.981 2.261 1.00 . A A . 7 ASN N 1 1 10 8284 1 1 7 ASN ND2 N 7.776 -9.682 6.923 1.00 . A A . 7 ASN ND2 1 1 10 8285 1 1 7 ASN O O 4.570 -8.066 4.444 1.00 . A A . 7 ASN O 1 1 10 8286 1 1 7 ASN OD1 O 5.696 -10.131 6.289 1.00 . A A . 7 ASN OD1 1 1 10 8287 1 1 8 CYS C C 1.706 -9.922 3.559 1.00 . A A . 8 CYS C 1 1 10 8288 1 1 8 CYS CA C 2.658 -8.981 2.824 1.00 . A A . 8 CYS CA 1 1 10 8289 1 1 8 CYS CB C 2.109 -8.620 1.451 1.00 . A A . 8 CYS CB 1 1 10 8290 1 1 8 CYS H H 4.184 -10.131 2.136 1.00 . A A . 8 CYS H 1 1 10 8291 1 1 8 CYS HA H 2.678 -8.077 3.407 1.00 . A A . 8 CYS HA 1 1 10 8292 1 1 8 CYS HB2 H 2.723 -7.902 0.929 1.00 . A A . 8 CYS HB2 1 1 10 8293 1 1 8 CYS HB3 H 2.059 -9.518 0.852 1.00 . A A . 8 CYS HB3 1 1 10 8294 1 1 8 CYS N N 3.993 -9.431 2.791 1.00 . A A . 8 CYS N 1 1 10 8295 1 1 8 CYS O O 1.807 -11.143 3.481 1.00 . A A . 8 CYS O 1 1 10 8296 1 1 8 CYS SG S 0.432 -7.988 1.552 1.00 . A A . 8 CYS SG 1 1 10 8297 1 1 9 GLN C C -1.578 -9.426 4.209 1.00 . A A . 9 GLN C 1 1 10 8298 1 1 9 GLN CA C -0.312 -9.966 4.867 1.00 . A A . 9 GLN CA 1 1 10 8299 1 1 9 GLN CB C -0.348 -9.786 6.390 1.00 . A A . 9 GLN CB 1 1 10 8300 1 1 9 GLN CD C 0.746 -10.274 8.624 1.00 . A A . 9 GLN CD 1 1 10 8301 1 1 9 GLN CG C 0.829 -10.429 7.112 1.00 . A A . 9 GLN CG 1 1 10 8302 1 1 9 GLN H H 1.046 -8.360 4.274 1.00 . A A . 9 GLN H 1 1 10 8303 1 1 9 GLN HA H -0.222 -11.013 4.616 1.00 . A A . 9 GLN HA 1 1 10 8304 1 1 9 GLN HB2 H -0.334 -8.729 6.612 1.00 . A A . 9 GLN HB2 1 1 10 8305 1 1 9 GLN HB3 H -1.261 -10.219 6.775 1.00 . A A . 9 GLN HB3 1 1 10 8306 1 1 9 GLN HE21 H 1.758 -8.595 8.511 1.00 . A A . 9 GLN HE21 1 1 10 8307 1 1 9 GLN HE22 H 1.313 -9.059 10.107 1.00 . A A . 9 GLN HE22 1 1 10 8308 1 1 9 GLN HG2 H 0.848 -11.482 6.877 1.00 . A A . 9 GLN HG2 1 1 10 8309 1 1 9 GLN HG3 H 1.738 -9.965 6.758 1.00 . A A . 9 GLN HG3 1 1 10 8310 1 1 9 GLN N N 0.804 -9.307 4.266 1.00 . A A . 9 GLN N 1 1 10 8311 1 1 9 GLN NE2 N 1.322 -9.212 9.138 1.00 . A A . 9 GLN NE2 1 1 10 8312 1 1 9 GLN O O -1.660 -8.227 3.880 1.00 . A A . 9 GLN O 1 1 10 8313 1 1 9 GLN OE1 O 0.178 -11.120 9.321 1.00 . A A . 9 GLN OE1 1 1 10 8314 1 1 10 ARG C C -4.762 -9.496 4.372 1.00 . A A . 10 ARG C 1 1 10 8315 1 1 10 ARG CA C -3.765 -9.978 3.332 1.00 . A A . 10 ARG CA 1 1 10 8316 1 1 10 ARG CB C -4.339 -11.262 2.719 1.00 . A A . 10 ARG CB 1 1 10 8317 1 1 10 ARG CD C -4.016 -13.395 1.462 1.00 . A A . 10 ARG CD 1 1 10 8318 1 1 10 ARG CG C -3.344 -12.124 1.964 1.00 . A A . 10 ARG CG 1 1 10 8319 1 1 10 ARG CZ C -3.407 -15.514 0.312 1.00 . A A . 10 ARG CZ 1 1 10 8320 1 1 10 ARG H H -2.509 -11.198 4.335 1.00 . A A . 10 ARG H 1 1 10 8321 1 1 10 ARG HA H -3.615 -9.244 2.556 1.00 . A A . 10 ARG HA 1 1 10 8322 1 1 10 ARG HB2 H -4.758 -11.860 3.512 1.00 . A A . 10 ARG HB2 1 1 10 8323 1 1 10 ARG HB3 H -5.134 -10.988 2.045 1.00 . A A . 10 ARG HB3 1 1 10 8324 1 1 10 ARG HD2 H -4.537 -13.869 2.281 1.00 . A A . 10 ARG HD2 1 1 10 8325 1 1 10 ARG HD3 H -4.735 -13.124 0.700 1.00 . A A . 10 ARG HD3 1 1 10 8326 1 1 10 ARG HE H -2.112 -14.113 1.013 1.00 . A A . 10 ARG HE 1 1 10 8327 1 1 10 ARG HG2 H -2.936 -11.565 1.134 1.00 . A A . 10 ARG HG2 1 1 10 8328 1 1 10 ARG HG3 H -2.539 -12.395 2.631 1.00 . A A . 10 ARG HG3 1 1 10 8329 1 1 10 ARG HH11 H -5.433 -15.168 0.378 1.00 . A A . 10 ARG HH11 1 1 10 8330 1 1 10 ARG HH12 H -5.028 -16.643 -0.325 1.00 . A A . 10 ARG HH12 1 1 10 8331 1 1 10 ARG HH21 H -1.478 -16.187 0.056 1.00 . A A . 10 ARG HH21 1 1 10 8332 1 1 10 ARG HH22 H -2.663 -17.261 -0.487 1.00 . A A . 10 ARG HH22 1 1 10 8333 1 1 10 ARG N N -2.535 -10.288 4.005 1.00 . A A . 10 ARG N 1 1 10 8334 1 1 10 ARG NE N -3.061 -14.354 0.896 1.00 . A A . 10 ARG NE 1 1 10 8335 1 1 10 ARG NH1 N -4.699 -15.800 0.107 1.00 . A A . 10 ARG NH1 1 1 10 8336 1 1 10 ARG NH2 N -2.461 -16.374 -0.070 1.00 . A A . 10 ARG NH2 1 1 10 8337 1 1 10 ARG O O -5.177 -10.275 5.226 1.00 . A A . 10 ARG O 1 1 10 8338 1 1 11 PRO C C -7.526 -8.195 4.911 1.00 . A A . 11 PRO C 1 1 10 8339 1 1 11 PRO CA C -6.110 -7.731 5.296 1.00 . A A . 11 PRO CA 1 1 10 8340 1 1 11 PRO CB C -5.970 -6.212 5.205 1.00 . A A . 11 PRO CB 1 1 10 8341 1 1 11 PRO CD C -4.613 -7.199 3.465 1.00 . A A . 11 PRO CD 1 1 10 8342 1 1 11 PRO CG C -5.334 -5.946 3.878 1.00 . A A . 11 PRO CG 1 1 10 8343 1 1 11 PRO HA H -5.888 -8.075 6.297 1.00 . A A . 11 PRO HA 1 1 10 8344 1 1 11 PRO HB2 H -6.951 -5.765 5.274 1.00 . A A . 11 PRO HB2 1 1 10 8345 1 1 11 PRO HB3 H -5.355 -5.857 6.019 1.00 . A A . 11 PRO HB3 1 1 10 8346 1 1 11 PRO HD2 H -4.812 -7.440 2.430 1.00 . A A . 11 PRO HD2 1 1 10 8347 1 1 11 PRO HD3 H -3.548 -7.082 3.601 1.00 . A A . 11 PRO HD3 1 1 10 8348 1 1 11 PRO HG2 H -6.089 -5.704 3.143 1.00 . A A . 11 PRO HG2 1 1 10 8349 1 1 11 PRO HG3 H -4.637 -5.125 3.963 1.00 . A A . 11 PRO HG3 1 1 10 8350 1 1 11 PRO N N -5.132 -8.230 4.360 1.00 . A A . 11 PRO N 1 1 10 8351 1 1 11 PRO O O -8.221 -8.823 5.717 1.00 . A A . 11 PRO O 1 1 10 8352 1 1 12 CYS C C -10.420 -7.755 3.909 1.00 . A A . 12 CYS C 1 1 10 8353 1 1 12 CYS CA C -9.228 -8.256 3.077 1.00 . A A . 12 CYS CA 1 1 10 8354 1 1 12 CYS CB C -9.295 -9.774 2.867 1.00 . A A . 12 CYS CB 1 1 10 8355 1 1 12 CYS H H -7.317 -7.366 3.108 1.00 . A A . 12 CYS H 1 1 10 8356 1 1 12 CYS HA H -9.255 -7.767 2.113 1.00 . A A . 12 CYS HA 1 1 10 8357 1 1 12 CYS HB2 H -9.245 -10.271 3.824 1.00 . A A . 12 CYS HB2 1 1 10 8358 1 1 12 CYS HB3 H -10.237 -10.017 2.394 1.00 . A A . 12 CYS HB3 1 1 10 8359 1 1 12 CYS HG H -8.500 -11.429 1.136 1.00 . A A . 12 CYS HG 1 1 10 8360 1 1 12 CYS N N -7.928 -7.874 3.669 1.00 . A A . 12 CYS N 1 1 10 8361 1 1 12 CYS O O -11.547 -8.242 3.775 1.00 . A A . 12 CYS O 1 1 10 8362 1 1 12 CYS SG S -7.965 -10.433 1.833 1.00 . A A . 12 CYS SG 1 1 10 8363 1 1 13 LYS C C -11.932 -5.170 4.621 1.00 . A A . 13 LYS C 1 1 10 8364 1 1 13 LYS CA C -11.154 -6.128 5.545 1.00 . A A . 13 LYS CA 1 1 10 8365 1 1 13 LYS CB C -10.442 -5.384 6.704 1.00 . A A . 13 LYS CB 1 1 10 8366 1 1 13 LYS CD C -10.531 -4.059 8.871 1.00 . A A . 13 LYS CD 1 1 10 8367 1 1 13 LYS CE C -9.699 -5.083 9.668 1.00 . A A . 13 LYS CE 1 1 10 8368 1 1 13 LYS CG C -11.350 -4.712 7.748 1.00 . A A . 13 LYS CG 1 1 10 8369 1 1 13 LYS H H -9.209 -6.539 4.839 1.00 . A A . 13 LYS H 1 1 10 8370 1 1 13 LYS HA H -11.819 -6.881 5.946 1.00 . A A . 13 LYS HA 1 1 10 8371 1 1 13 LYS HB2 H -9.833 -6.116 7.214 1.00 . A A . 13 LYS HB2 1 1 10 8372 1 1 13 LYS HB3 H -9.789 -4.637 6.273 1.00 . A A . 13 LYS HB3 1 1 10 8373 1 1 13 LYS HD2 H -9.856 -3.339 8.432 1.00 . A A . 13 LYS HD2 1 1 10 8374 1 1 13 LYS HD3 H -11.220 -3.558 9.538 1.00 . A A . 13 LYS HD3 1 1 10 8375 1 1 13 LYS HE2 H -9.018 -5.585 8.997 1.00 . A A . 13 LYS HE2 1 1 10 8376 1 1 13 LYS HE3 H -9.141 -4.553 10.427 1.00 . A A . 13 LYS HE3 1 1 10 8377 1 1 13 LYS HG2 H -11.932 -3.939 7.265 1.00 . A A . 13 LYS HG2 1 1 10 8378 1 1 13 LYS HG3 H -12.009 -5.450 8.181 1.00 . A A . 13 LYS HG3 1 1 10 8379 1 1 13 LYS HZ1 H -11.073 -6.693 9.637 1.00 . A A . 13 LYS HZ1 1 1 10 8380 1 1 13 LYS HZ2 H -11.227 -5.656 10.964 1.00 . A A . 13 LYS HZ2 1 1 10 8381 1 1 13 LYS HZ3 H -9.966 -6.768 10.887 1.00 . A A . 13 LYS HZ3 1 1 10 8382 1 1 13 LYS N N -10.151 -6.784 4.751 1.00 . A A . 13 LYS N 1 1 10 8383 1 1 13 LYS NZ N -10.549 -6.116 10.325 1.00 . A A . 13 LYS NZ 1 1 10 8384 1 1 13 LYS O O -11.545 -5.006 3.454 1.00 . A A . 13 LYS O 1 1 10 8385 1 1 14 ASP C C -13.043 -2.626 3.603 1.00 . A A . 14 ASP C 1 1 10 8386 1 1 14 ASP CA C -13.866 -3.640 4.361 1.00 . A A . 14 ASP CA 1 1 10 8387 1 1 14 ASP CB C -14.860 -2.924 5.284 1.00 . A A . 14 ASP CB 1 1 10 8388 1 1 14 ASP CG C -15.906 -3.836 5.861 1.00 . A A . 14 ASP CG 1 1 10 8389 1 1 14 ASP H H -13.261 -4.712 6.069 1.00 . A A . 14 ASP H 1 1 10 8390 1 1 14 ASP HA H -14.419 -4.234 3.649 1.00 . A A . 14 ASP HA 1 1 10 8391 1 1 14 ASP HB2 H -14.319 -2.470 6.102 1.00 . A A . 14 ASP HB2 1 1 10 8392 1 1 14 ASP HB3 H -15.363 -2.144 4.728 1.00 . A A . 14 ASP HB3 1 1 10 8393 1 1 14 ASP N N -13.008 -4.560 5.135 1.00 . A A . 14 ASP N 1 1 10 8394 1 1 14 ASP O O -12.993 -2.642 2.388 1.00 . A A . 14 ASP O 1 1 10 8395 1 1 14 ASP OD1 O -15.559 -4.732 6.680 1.00 . A A . 14 ASP OD1 1 1 10 8396 1 1 14 ASP OD2 O -17.101 -3.677 5.499 1.00 . A A . 14 ASP OD2 1 1 10 8397 1 1 15 LYS C C -10.100 -1.036 4.084 1.00 . A A . 15 LYS C 1 1 10 8398 1 1 15 LYS CA C -11.521 -0.793 3.691 1.00 . A A . 15 LYS CA 1 1 10 8399 1 1 15 LYS CB C -11.928 0.676 3.929 1.00 . A A . 15 LYS CB 1 1 10 8400 1 1 15 LYS CD C -14.468 0.547 3.452 1.00 . A A . 15 LYS CD 1 1 10 8401 1 1 15 LYS CE C -14.922 0.999 4.822 1.00 . A A . 15 LYS CE 1 1 10 8402 1 1 15 LYS CG C -13.120 1.167 3.086 1.00 . A A . 15 LYS CG 1 1 10 8403 1 1 15 LYS H H -12.466 -1.761 5.290 1.00 . A A . 15 LYS H 1 1 10 8404 1 1 15 LYS HA H -11.589 -0.999 2.632 1.00 . A A . 15 LYS HA 1 1 10 8405 1 1 15 LYS HB2 H -12.180 0.783 4.970 1.00 . A A . 15 LYS HB2 1 1 10 8406 1 1 15 LYS HB3 H -11.079 1.314 3.729 1.00 . A A . 15 LYS HB3 1 1 10 8407 1 1 15 LYS HD2 H -15.203 0.831 2.713 1.00 . A A . 15 LYS HD2 1 1 10 8408 1 1 15 LYS HD3 H -14.360 -0.526 3.447 1.00 . A A . 15 LYS HD3 1 1 10 8409 1 1 15 LYS HE2 H -14.224 0.603 5.540 1.00 . A A . 15 LYS HE2 1 1 10 8410 1 1 15 LYS HE3 H -14.889 2.076 4.834 1.00 . A A . 15 LYS HE3 1 1 10 8411 1 1 15 LYS HG2 H -13.202 2.237 3.205 1.00 . A A . 15 LYS HG2 1 1 10 8412 1 1 15 LYS HG3 H -12.897 0.954 2.051 1.00 . A A . 15 LYS HG3 1 1 10 8413 1 1 15 LYS HZ1 H -16.961 0.912 4.450 1.00 . A A . 15 LYS HZ1 1 1 10 8414 1 1 15 LYS HZ2 H -16.608 0.886 6.079 1.00 . A A . 15 LYS HZ2 1 1 10 8415 1 1 15 LYS HZ3 H -16.391 -0.499 5.150 1.00 . A A . 15 LYS HZ3 1 1 10 8416 1 1 15 LYS N N -12.393 -1.752 4.314 1.00 . A A . 15 LYS N 1 1 10 8417 1 1 15 LYS NZ N -16.294 0.533 5.152 1.00 . A A . 15 LYS NZ 1 1 10 8418 1 1 15 LYS O O -9.779 -1.121 5.271 1.00 . A A . 15 LYS O 1 1 10 8419 1 1 16 VAL C C -7.031 -0.466 2.458 1.00 . A A . 16 VAL C 1 1 10 8420 1 1 16 VAL CA C -7.846 -1.441 3.299 1.00 . A A . 16 VAL CA 1 1 10 8421 1 1 16 VAL CB C -7.466 -2.929 2.988 1.00 . A A . 16 VAL CB 1 1 10 8422 1 1 16 VAL CG1 C -8.260 -3.866 3.879 1.00 . A A . 16 VAL CG1 1 1 10 8423 1 1 16 VAL CG2 C -7.685 -3.288 1.521 1.00 . A A . 16 VAL CG2 1 1 10 8424 1 1 16 VAL H H -9.587 -1.109 2.171 1.00 . A A . 16 VAL H 1 1 10 8425 1 1 16 VAL HA H -7.646 -1.233 4.339 1.00 . A A . 16 VAL HA 1 1 10 8426 1 1 16 VAL HB H -6.422 -3.063 3.233 1.00 . A A . 16 VAL HB 1 1 10 8427 1 1 16 VAL HG11 H -8.031 -3.680 4.918 1.00 . A A . 16 VAL HG11 1 1 10 8428 1 1 16 VAL HG12 H -8.023 -4.888 3.626 1.00 . A A . 16 VAL HG12 1 1 10 8429 1 1 16 VAL HG13 H -9.314 -3.698 3.714 1.00 . A A . 16 VAL HG13 1 1 10 8430 1 1 16 VAL HG21 H -7.004 -2.717 0.909 1.00 . A A . 16 VAL HG21 1 1 10 8431 1 1 16 VAL HG22 H -8.703 -3.078 1.233 1.00 . A A . 16 VAL HG22 1 1 10 8432 1 1 16 VAL HG23 H -7.521 -4.348 1.384 1.00 . A A . 16 VAL HG23 1 1 10 8433 1 1 16 VAL N N -9.257 -1.188 3.092 1.00 . A A . 16 VAL N 1 1 10 8434 1 1 16 VAL O O -7.441 -0.116 1.328 1.00 . A A . 16 VAL O 1 1 10 8435 1 1 17 ASP C C -3.976 0.493 1.530 1.00 . A A . 17 ASP C 1 1 10 8436 1 1 17 ASP CA C -5.120 1.044 2.364 1.00 . A A . 17 ASP CA 1 1 10 8437 1 1 17 ASP CB C -4.555 2.031 3.404 1.00 . A A . 17 ASP CB 1 1 10 8438 1 1 17 ASP CG C -5.611 2.658 4.296 1.00 . A A . 17 ASP CG 1 1 10 8439 1 1 17 ASP H H -5.582 -0.407 3.832 1.00 . A A . 17 ASP H 1 1 10 8440 1 1 17 ASP HA H -5.789 1.583 1.713 1.00 . A A . 17 ASP HA 1 1 10 8441 1 1 17 ASP HB2 H -3.873 1.488 4.040 1.00 . A A . 17 ASP HB2 1 1 10 8442 1 1 17 ASP HB3 H -4.007 2.813 2.901 1.00 . A A . 17 ASP HB3 1 1 10 8443 1 1 17 ASP N N -5.907 -0.021 2.995 1.00 . A A . 17 ASP N 1 1 10 8444 1 1 17 ASP O O -3.325 -0.512 1.897 1.00 . A A . 17 ASP O 1 1 10 8445 1 1 17 ASP OD1 O -6.455 3.434 3.800 1.00 . A A . 17 ASP OD1 1 1 10 8446 1 1 17 ASP OD2 O -5.583 2.398 5.519 1.00 . A A . 17 ASP OD2 1 1 10 8447 1 1 18 TRP C C -1.745 1.969 -0.809 1.00 . A A . 18 TRP C 1 1 10 8448 1 1 18 TRP CA C -2.687 0.781 -0.542 1.00 . A A . 18 TRP CA 1 1 10 8449 1 1 18 TRP CB C -3.319 0.418 -1.873 1.00 . A A . 18 TRP CB 1 1 10 8450 1 1 18 TRP CD1 C -5.569 -0.612 -1.165 1.00 . A A . 18 TRP CD1 1 1 10 8451 1 1 18 TRP CD2 C -4.463 -1.802 -2.673 1.00 . A A . 18 TRP CD2 1 1 10 8452 1 1 18 TRP CE2 C -5.641 -2.478 -2.357 1.00 . A A . 18 TRP CE2 1 1 10 8453 1 1 18 TRP CE3 C -3.616 -2.340 -3.609 1.00 . A A . 18 TRP CE3 1 1 10 8454 1 1 18 TRP CG C -4.407 -0.636 -1.859 1.00 . A A . 18 TRP CG 1 1 10 8455 1 1 18 TRP CH2 C -5.129 -4.172 -3.906 1.00 . A A . 18 TRP CH2 1 1 10 8456 1 1 18 TRP CZ2 C -5.999 -3.672 -2.967 1.00 . A A . 18 TRP CZ2 1 1 10 8457 1 1 18 TRP CZ3 C -3.954 -3.513 -4.227 1.00 . A A . 18 TRP CZ3 1 1 10 8458 1 1 18 TRP H H -4.302 1.952 0.282 1.00 . A A . 18 TRP H 1 1 10 8459 1 1 18 TRP HA H -2.145 -0.067 -0.156 1.00 . A A . 18 TRP HA 1 1 10 8460 1 1 18 TRP HB2 H -3.732 1.329 -2.273 1.00 . A A . 18 TRP HB2 1 1 10 8461 1 1 18 TRP HB3 H -2.525 0.097 -2.530 1.00 . A A . 18 TRP HB3 1 1 10 8462 1 1 18 TRP HD1 H -5.844 0.170 -0.472 1.00 . A A . 18 TRP HD1 1 1 10 8463 1 1 18 TRP HE1 H -7.158 -1.979 -1.021 1.00 . A A . 18 TRP HE1 1 1 10 8464 1 1 18 TRP HE3 H -2.712 -1.818 -3.854 1.00 . A A . 18 TRP HE3 1 1 10 8465 1 1 18 TRP HH2 H -5.335 -5.078 -4.451 1.00 . A A . 18 TRP HH2 1 1 10 8466 1 1 18 TRP HZ2 H -6.918 -4.179 -2.702 1.00 . A A . 18 TRP HZ2 1 1 10 8467 1 1 18 TRP HZ3 H -3.297 -3.936 -4.973 1.00 . A A . 18 TRP HZ3 1 1 10 8468 1 1 18 TRP N N -3.720 1.169 0.418 1.00 . A A . 18 TRP N 1 1 10 8469 1 1 18 TRP NE1 N -6.291 -1.740 -1.421 1.00 . A A . 18 TRP NE1 1 1 10 8470 1 1 18 TRP O O -2.103 3.129 -0.522 1.00 . A A . 18 TRP O 1 1 10 8471 1 1 19 VAL C C 1.071 2.277 -3.033 1.00 . A A . 19 VAL C 1 1 10 8472 1 1 19 VAL CA C 0.436 2.687 -1.707 1.00 . A A . 19 VAL CA 1 1 10 8473 1 1 19 VAL CB C 1.620 2.685 -0.713 1.00 . A A . 19 VAL CB 1 1 10 8474 1 1 19 VAL CG1 C 2.326 4.017 -0.622 1.00 . A A . 19 VAL CG1 1 1 10 8475 1 1 19 VAL CG2 C 1.322 2.048 0.621 1.00 . A A . 19 VAL CG2 1 1 10 8476 1 1 19 VAL H H -0.248 0.787 -1.638 1.00 . A A . 19 VAL H 1 1 10 8477 1 1 19 VAL HA H -0.003 3.672 -1.759 1.00 . A A . 19 VAL HA 1 1 10 8478 1 1 19 VAL HB H 2.344 2.062 -1.219 1.00 . A A . 19 VAL HB 1 1 10 8479 1 1 19 VAL HG11 H 2.718 4.277 -1.593 1.00 . A A . 19 VAL HG11 1 1 10 8480 1 1 19 VAL HG12 H 3.135 3.963 0.088 1.00 . A A . 19 VAL HG12 1 1 10 8481 1 1 19 VAL HG13 H 1.626 4.777 -0.306 1.00 . A A . 19 VAL HG13 1 1 10 8482 1 1 19 VAL HG21 H 1.283 0.972 0.490 1.00 . A A . 19 VAL HG21 1 1 10 8483 1 1 19 VAL HG22 H 0.405 2.446 1.024 1.00 . A A . 19 VAL HG22 1 1 10 8484 1 1 19 VAL HG23 H 2.142 2.306 1.275 1.00 . A A . 19 VAL HG23 1 1 10 8485 1 1 19 VAL N N -0.562 1.683 -1.377 1.00 . A A . 19 VAL N 1 1 10 8486 1 1 19 VAL O O 1.193 1.085 -3.312 1.00 . A A . 19 VAL O 1 1 10 8487 1 1 20 GLN C C 3.618 3.409 -4.834 1.00 . A A . 20 GLN C 1 1 10 8488 1 1 20 GLN CA C 2.165 2.984 -5.054 1.00 . A A . 20 GLN CA 1 1 10 8489 1 1 20 GLN CB C 1.587 3.841 -6.168 1.00 . A A . 20 GLN CB 1 1 10 8490 1 1 20 GLN CD C 2.400 2.369 -8.143 1.00 . A A . 20 GLN CD 1 1 10 8491 1 1 20 GLN CG C 1.262 3.128 -7.486 1.00 . A A . 20 GLN CG 1 1 10 8492 1 1 20 GLN H H 1.119 4.116 -3.536 1.00 . A A . 20 GLN H 1 1 10 8493 1 1 20 GLN HA H 2.099 1.940 -5.324 1.00 . A A . 20 GLN HA 1 1 10 8494 1 1 20 GLN HB2 H 0.680 4.286 -5.787 1.00 . A A . 20 GLN HB2 1 1 10 8495 1 1 20 GLN HB3 H 2.282 4.640 -6.375 1.00 . A A . 20 GLN HB3 1 1 10 8496 1 1 20 GLN HE21 H 1.116 1.159 -9.061 1.00 . A A . 20 GLN HE21 1 1 10 8497 1 1 20 GLN HE22 H 2.781 0.870 -9.347 1.00 . A A . 20 GLN HE22 1 1 10 8498 1 1 20 GLN HG2 H 0.433 2.451 -7.363 1.00 . A A . 20 GLN HG2 1 1 10 8499 1 1 20 GLN HG3 H 0.970 3.903 -8.167 1.00 . A A . 20 GLN HG3 1 1 10 8500 1 1 20 GLN N N 1.432 3.228 -3.819 1.00 . A A . 20 GLN N 1 1 10 8501 1 1 20 GLN NE2 N 2.058 1.380 -8.918 1.00 . A A . 20 GLN NE2 1 1 10 8502 1 1 20 GLN O O 3.869 4.400 -4.153 1.00 . A A . 20 GLN O 1 1 10 8503 1 1 20 GLN OE1 O 3.556 2.701 -8.005 1.00 . A A . 20 GLN OE1 1 1 10 8504 1 1 21 CYS C C 6.257 4.021 -6.445 1.00 . A A . 21 CYS C 1 1 10 8505 1 1 21 CYS CA C 5.977 3.054 -5.287 1.00 . A A . 21 CYS CA 1 1 10 8506 1 1 21 CYS CB C 6.857 1.819 -5.465 1.00 . A A . 21 CYS CB 1 1 10 8507 1 1 21 CYS H H 4.350 1.792 -5.789 1.00 . A A . 21 CYS H 1 1 10 8508 1 1 21 CYS HA H 6.188 3.524 -4.339 1.00 . A A . 21 CYS HA 1 1 10 8509 1 1 21 CYS HB2 H 6.510 1.042 -4.811 1.00 . A A . 21 CYS HB2 1 1 10 8510 1 1 21 CYS HB3 H 6.773 1.485 -6.488 1.00 . A A . 21 CYS HB3 1 1 10 8511 1 1 21 CYS N N 4.554 2.649 -5.342 1.00 . A A . 21 CYS N 1 1 10 8512 1 1 21 CYS O O 6.181 3.634 -7.611 1.00 . A A . 21 CYS O 1 1 10 8513 1 1 21 CYS SG S 8.618 1.962 -5.075 1.00 . A A . 21 CYS SG 1 1 10 8514 1 1 22 ASP C C 8.309 6.161 -7.666 1.00 . A A . 22 ASP C 1 1 10 8515 1 1 22 ASP CA C 6.885 6.264 -7.155 1.00 . A A . 22 ASP CA 1 1 10 8516 1 1 22 ASP CB C 6.687 7.669 -6.568 1.00 . A A . 22 ASP CB 1 1 10 8517 1 1 22 ASP CG C 5.307 7.921 -6.035 1.00 . A A . 22 ASP CG 1 1 10 8518 1 1 22 ASP H H 6.837 5.423 -5.182 1.00 . A A . 22 ASP H 1 1 10 8519 1 1 22 ASP HA H 6.191 6.120 -7.970 1.00 . A A . 22 ASP HA 1 1 10 8520 1 1 22 ASP HB2 H 7.385 7.797 -5.755 1.00 . A A . 22 ASP HB2 1 1 10 8521 1 1 22 ASP HB3 H 6.914 8.401 -7.328 1.00 . A A . 22 ASP HB3 1 1 10 8522 1 1 22 ASP N N 6.651 5.227 -6.131 1.00 . A A . 22 ASP N 1 1 10 8523 1 1 22 ASP O O 8.865 7.112 -8.207 1.00 . A A . 22 ASP O 1 1 10 8524 1 1 22 ASP OD1 O 4.382 8.241 -6.841 1.00 . A A . 22 ASP OD1 1 1 10 8525 1 1 22 ASP OD2 O 5.137 7.824 -4.813 1.00 . A A . 22 ASP OD2 1 1 10 8526 1 1 23 GLY C C 10.580 3.734 -8.849 1.00 . A A . 23 GLY C 1 1 10 8527 1 1 23 GLY CA C 10.264 4.817 -7.830 1.00 . A A . 23 GLY CA 1 1 10 8528 1 1 23 GLY H H 8.318 4.239 -7.256 1.00 . A A . 23 GLY H 1 1 10 8529 1 1 23 GLY HA2 H 10.691 5.758 -8.137 1.00 . A A . 23 GLY HA2 1 1 10 8530 1 1 23 GLY HA3 H 10.669 4.505 -6.871 1.00 . A A . 23 GLY HA3 1 1 10 8531 1 1 23 GLY N N 8.884 4.986 -7.540 1.00 . A A . 23 GLY N 1 1 10 8532 1 1 23 GLY O O 10.442 3.919 -10.054 1.00 . A A . 23 GLY O 1 1 10 8533 1 1 24 GLY C C 10.467 0.509 -9.607 1.00 . A A . 24 GLY C 1 1 10 8534 1 1 24 GLY CA C 11.497 1.522 -9.146 1.00 . A A . 24 GLY CA 1 1 10 8535 1 1 24 GLY H H 10.901 2.762 -7.367 1.00 . A A . 24 GLY H 1 1 10 8536 1 1 24 GLY HA2 H 11.982 1.940 -10.013 1.00 . A A . 24 GLY HA2 1 1 10 8537 1 1 24 GLY HA3 H 12.253 1.005 -8.572 1.00 . A A . 24 GLY HA3 1 1 10 8538 1 1 24 GLY N N 10.996 2.613 -8.326 1.00 . A A . 24 GLY N 1 1 10 8539 1 1 24 GLY O O 10.213 0.361 -10.796 1.00 . A A . 24 GLY O 1 1 10 8540 1 1 25 CYS C C 7.621 -0.930 -9.472 1.00 . A A . 25 CYS C 1 1 10 8541 1 1 25 CYS CA C 9.021 -1.333 -8.968 1.00 . A A . 25 CYS CA 1 1 10 8542 1 1 25 CYS CB C 8.895 -2.245 -7.740 1.00 . A A . 25 CYS CB 1 1 10 8543 1 1 25 CYS H H 10.168 0.021 -7.752 1.00 . A A . 25 CYS H 1 1 10 8544 1 1 25 CYS HA H 9.497 -1.909 -9.747 1.00 . A A . 25 CYS HA 1 1 10 8545 1 1 25 CYS HB2 H 8.343 -3.130 -8.015 1.00 . A A . 25 CYS HB2 1 1 10 8546 1 1 25 CYS HB3 H 9.886 -2.534 -7.421 1.00 . A A . 25 CYS HB3 1 1 10 8547 1 1 25 CYS N N 9.913 -0.202 -8.668 1.00 . A A . 25 CYS N 1 1 10 8548 1 1 25 CYS O O 6.968 -1.726 -10.131 1.00 . A A . 25 CYS O 1 1 10 8549 1 1 25 CYS SG S 8.045 -1.503 -6.325 1.00 . A A . 25 CYS SG 1 1 10 8550 1 1 26 ASP C C 4.715 -0.182 -9.230 1.00 . A A . 26 ASP C 1 1 10 8551 1 1 26 ASP CA C 5.819 0.835 -9.487 1.00 . A A . 26 ASP CA 1 1 10 8552 1 1 26 ASP CB C 5.655 1.400 -10.895 1.00 . A A . 26 ASP CB 1 1 10 8553 1 1 26 ASP CG C 6.467 2.644 -11.153 1.00 . A A . 26 ASP CG 1 1 10 8554 1 1 26 ASP H H 7.873 1.021 -9.001 1.00 . A A . 26 ASP H 1 1 10 8555 1 1 26 ASP HA H 5.662 1.642 -8.786 1.00 . A A . 26 ASP HA 1 1 10 8556 1 1 26 ASP HB2 H 5.840 0.639 -11.631 1.00 . A A . 26 ASP HB2 1 1 10 8557 1 1 26 ASP HB3 H 4.614 1.666 -10.996 1.00 . A A . 26 ASP HB3 1 1 10 8558 1 1 26 ASP N N 7.212 0.334 -9.218 1.00 . A A . 26 ASP N 1 1 10 8559 1 1 26 ASP O O 3.828 -0.374 -10.078 1.00 . A A . 26 ASP O 1 1 10 8560 1 1 26 ASP OD1 O 7.695 2.593 -11.044 1.00 . A A . 26 ASP OD1 1 1 10 8561 1 1 26 ASP OD2 O 5.872 3.692 -11.503 1.00 . A A . 26 ASP OD2 1 1 10 8562 1 1 27 GLU C C 2.931 -1.242 -6.552 1.00 . A A . 27 GLU C 1 1 10 8563 1 1 27 GLU CA C 3.707 -1.732 -7.757 1.00 . A A . 27 GLU CA 1 1 10 8564 1 1 27 GLU CB C 4.261 -3.143 -7.581 1.00 . A A . 27 GLU CB 1 1 10 8565 1 1 27 GLU CD C 5.212 -5.185 -8.787 1.00 . A A . 27 GLU CD 1 1 10 8566 1 1 27 GLU CG C 4.805 -3.732 -8.881 1.00 . A A . 27 GLU CG 1 1 10 8567 1 1 27 GLU H H 5.457 -0.625 -7.472 1.00 . A A . 27 GLU H 1 1 10 8568 1 1 27 GLU HA H 3.023 -1.727 -8.592 1.00 . A A . 27 GLU HA 1 1 10 8569 1 1 27 GLU HB2 H 5.059 -3.122 -6.855 1.00 . A A . 27 GLU HB2 1 1 10 8570 1 1 27 GLU HB3 H 3.462 -3.761 -7.221 1.00 . A A . 27 GLU HB3 1 1 10 8571 1 1 27 GLU HG2 H 4.043 -3.641 -9.641 1.00 . A A . 27 GLU HG2 1 1 10 8572 1 1 27 GLU HG3 H 5.660 -3.145 -9.187 1.00 . A A . 27 GLU HG3 1 1 10 8573 1 1 27 GLU N N 4.731 -0.806 -8.095 1.00 . A A . 27 GLU N 1 1 10 8574 1 1 27 GLU O O 3.372 -0.302 -5.868 1.00 . A A . 27 GLU O 1 1 10 8575 1 1 27 GLU OE1 O 4.337 -6.059 -8.976 1.00 . A A . 27 GLU OE1 1 1 10 8576 1 1 27 GLU OE2 O 6.398 -5.478 -8.579 1.00 . A A . 27 GLU OE2 1 1 10 8577 1 1 28 TRP C C 1.211 -2.272 -3.962 1.00 . A A . 28 TRP C 1 1 10 8578 1 1 28 TRP CA C 0.957 -1.414 -5.176 1.00 . A A . 28 TRP CA 1 1 10 8579 1 1 28 TRP CB C -0.532 -1.440 -5.496 1.00 . A A . 28 TRP CB 1 1 10 8580 1 1 28 TRP CD1 C -1.060 -0.601 -7.848 1.00 . A A . 28 TRP CD1 1 1 10 8581 1 1 28 TRP CD2 C -1.489 0.884 -6.238 1.00 . A A . 28 TRP CD2 1 1 10 8582 1 1 28 TRP CE2 C -1.814 1.456 -7.471 1.00 . A A . 28 TRP CE2 1 1 10 8583 1 1 28 TRP CE3 C -1.679 1.638 -5.082 1.00 . A A . 28 TRP CE3 1 1 10 8584 1 1 28 TRP CG C -0.993 -0.441 -6.504 1.00 . A A . 28 TRP CG 1 1 10 8585 1 1 28 TRP CH2 C -2.510 3.449 -6.429 1.00 . A A . 28 TRP CH2 1 1 10 8586 1 1 28 TRP CZ2 C -2.329 2.745 -7.585 1.00 . A A . 28 TRP CZ2 1 1 10 8587 1 1 28 TRP CZ3 C -2.192 2.907 -5.193 1.00 . A A . 28 TRP CZ3 1 1 10 8588 1 1 28 TRP H H 1.492 -2.568 -6.876 1.00 . A A . 28 TRP H 1 1 10 8589 1 1 28 TRP HA H 1.244 -0.401 -4.934 1.00 . A A . 28 TRP HA 1 1 10 8590 1 1 28 TRP HB2 H -0.811 -2.424 -5.840 1.00 . A A . 28 TRP HB2 1 1 10 8591 1 1 28 TRP HB3 H -1.050 -1.229 -4.574 1.00 . A A . 28 TRP HB3 1 1 10 8592 1 1 28 TRP HD1 H -0.765 -1.498 -8.367 1.00 . A A . 28 TRP HD1 1 1 10 8593 1 1 28 TRP HE1 H -1.668 0.648 -9.397 1.00 . A A . 28 TRP HE1 1 1 10 8594 1 1 28 TRP HE3 H -1.433 1.232 -4.114 1.00 . A A . 28 TRP HE3 1 1 10 8595 1 1 28 TRP HH2 H -2.926 4.443 -6.447 1.00 . A A . 28 TRP HH2 1 1 10 8596 1 1 28 TRP HZ2 H -2.576 3.176 -8.546 1.00 . A A . 28 TRP HZ2 1 1 10 8597 1 1 28 TRP HZ3 H -2.363 3.521 -4.320 1.00 . A A . 28 TRP HZ3 1 1 10 8598 1 1 28 TRP N N 1.779 -1.828 -6.301 1.00 . A A . 28 TRP N 1 1 10 8599 1 1 28 TRP NE1 N -1.541 0.533 -8.431 1.00 . A A . 28 TRP NE1 1 1 10 8600 1 1 28 TRP O O 1.346 -3.485 -4.070 1.00 . A A . 28 TRP O 1 1 10 8601 1 1 29 PHE C C 0.533 -1.721 -0.483 1.00 . A A . 29 PHE C 1 1 10 8602 1 1 29 PHE CA C 1.474 -2.249 -1.542 1.00 . A A . 29 PHE CA 1 1 10 8603 1 1 29 PHE CB C 2.916 -2.163 -1.094 1.00 . A A . 29 PHE CB 1 1 10 8604 1 1 29 PHE CD1 C 3.783 0.168 -1.139 1.00 . A A . 29 PHE CD1 1 1 10 8605 1 1 29 PHE CD2 C 4.477 -1.304 -2.860 1.00 . A A . 29 PHE CD2 1 1 10 8606 1 1 29 PHE CE1 C 4.551 1.151 -1.670 1.00 . A A . 29 PHE CE1 1 1 10 8607 1 1 29 PHE CE2 C 5.233 -0.328 -3.389 1.00 . A A . 29 PHE CE2 1 1 10 8608 1 1 29 PHE CG C 3.730 -1.070 -1.708 1.00 . A A . 29 PHE CG 1 1 10 8609 1 1 29 PHE CZ C 5.275 0.907 -2.793 1.00 . A A . 29 PHE CZ 1 1 10 8610 1 1 29 PHE H H 1.231 -0.648 -2.899 1.00 . A A . 29 PHE H 1 1 10 8611 1 1 29 PHE HA H 1.231 -3.291 -1.669 1.00 . A A . 29 PHE HA 1 1 10 8612 1 1 29 PHE HB2 H 2.906 -1.967 -0.032 1.00 . A A . 29 PHE HB2 1 1 10 8613 1 1 29 PHE HB3 H 3.419 -3.092 -1.245 1.00 . A A . 29 PHE HB3 1 1 10 8614 1 1 29 PHE HD1 H 3.207 0.372 -0.253 1.00 . A A . 29 PHE HD1 1 1 10 8615 1 1 29 PHE HD2 H 4.483 -2.238 -3.400 1.00 . A A . 29 PHE HD2 1 1 10 8616 1 1 29 PHE HE1 H 4.582 2.123 -1.206 1.00 . A A . 29 PHE HE1 1 1 10 8617 1 1 29 PHE HE2 H 5.799 -0.559 -4.278 1.00 . A A . 29 PHE HE2 1 1 10 8618 1 1 29 PHE HZ H 5.883 1.688 -3.221 1.00 . A A . 29 PHE HZ 1 1 10 8619 1 1 29 PHE N N 1.277 -1.630 -2.832 1.00 . A A . 29 PHE N 1 1 10 8620 1 1 29 PHE O O -0.202 -0.831 -0.729 1.00 . A A . 29 PHE O 1 1 10 8621 1 1 30 HIS C C 0.598 -1.099 2.714 1.00 . A A . 30 HIS C 1 1 10 8622 1 1 30 HIS CA C -0.303 -1.841 1.777 1.00 . A A . 30 HIS CA 1 1 10 8623 1 1 30 HIS CB C -0.964 -2.965 2.567 1.00 . A A . 30 HIS CB 1 1 10 8624 1 1 30 HIS CD2 C -3.246 -3.854 1.700 1.00 . A A . 30 HIS CD2 1 1 10 8625 1 1 30 HIS CE1 C -2.530 -5.777 0.890 1.00 . A A . 30 HIS CE1 1 1 10 8626 1 1 30 HIS CG C -1.895 -3.873 1.828 1.00 . A A . 30 HIS CG 1 1 10 8627 1 1 30 HIS H H 1.188 -3.068 0.777 1.00 . A A . 30 HIS H 1 1 10 8628 1 1 30 HIS HA H -1.048 -1.173 1.374 1.00 . A A . 30 HIS HA 1 1 10 8629 1 1 30 HIS HB2 H -0.176 -3.597 2.950 1.00 . A A . 30 HIS HB2 1 1 10 8630 1 1 30 HIS HB3 H -1.495 -2.534 3.405 1.00 . A A . 30 HIS HB3 1 1 10 8631 1 1 30 HIS HD2 H -3.906 -3.051 2.002 1.00 . A A . 30 HIS HD2 1 1 10 8632 1 1 30 HIS HE1 H -2.489 -6.816 0.578 1.00 . A A . 30 HIS HE1 1 1 10 8633 1 1 30 HIS HE2 H -4.455 -5.203 0.619 1.00 . A A . 30 HIS HE2 1 1 10 8634 1 1 30 HIS N N 0.533 -2.334 0.690 1.00 . A A . 30 HIS N 1 1 10 8635 1 1 30 HIS ND1 N -1.481 -5.074 1.295 1.00 . A A . 30 HIS ND1 1 1 10 8636 1 1 30 HIS NE2 N -3.617 -5.055 1.110 1.00 . A A . 30 HIS NE2 1 1 10 8637 1 1 30 HIS O O 1.703 -1.546 2.953 1.00 . A A . 30 HIS O 1 1 10 8638 1 1 31 GLN C C 1.546 -0.003 5.279 1.00 . A A . 31 GLN C 1 1 10 8639 1 1 31 GLN CA C 0.864 0.844 4.182 1.00 . A A . 31 GLN CA 1 1 10 8640 1 1 31 GLN CB C -0.142 1.791 4.825 1.00 . A A . 31 GLN CB 1 1 10 8641 1 1 31 GLN CD C -0.290 3.876 3.346 1.00 . A A . 31 GLN CD 1 1 10 8642 1 1 31 GLN CG C -0.947 2.605 3.816 1.00 . A A . 31 GLN CG 1 1 10 8643 1 1 31 GLN H H -0.771 0.310 3.007 1.00 . A A . 31 GLN H 1 1 10 8644 1 1 31 GLN HA H 1.580 1.430 3.627 1.00 . A A . 31 GLN HA 1 1 10 8645 1 1 31 GLN HB2 H -0.826 1.229 5.443 1.00 . A A . 31 GLN HB2 1 1 10 8646 1 1 31 GLN HB3 H 0.414 2.482 5.440 1.00 . A A . 31 GLN HB3 1 1 10 8647 1 1 31 GLN HE21 H -1.251 3.794 1.607 1.00 . A A . 31 GLN HE21 1 1 10 8648 1 1 31 GLN HE22 H -0.179 5.125 1.860 1.00 . A A . 31 GLN HE22 1 1 10 8649 1 1 31 GLN HG2 H -0.881 1.963 2.947 1.00 . A A . 31 GLN HG2 1 1 10 8650 1 1 31 GLN HG3 H -1.965 2.777 4.128 1.00 . A A . 31 GLN HG3 1 1 10 8651 1 1 31 GLN N N 0.121 -0.004 3.253 1.00 . A A . 31 GLN N 1 1 10 8652 1 1 31 GLN NE2 N -0.609 4.298 2.152 1.00 . A A . 31 GLN NE2 1 1 10 8653 1 1 31 GLN O O 2.738 0.092 5.493 1.00 . A A . 31 GLN O 1 1 10 8654 1 1 31 GLN OE1 O 0.471 4.489 4.066 1.00 . A A . 31 GLN OE1 1 1 10 8655 1 1 32 VAL C C 2.275 -2.795 6.576 1.00 . A A . 32 VAL C 1 1 10 8656 1 1 32 VAL CA C 1.281 -1.690 7.010 1.00 . A A . 32 VAL CA 1 1 10 8657 1 1 32 VAL CB C 0.122 -2.321 7.834 1.00 . A A . 32 VAL CB 1 1 10 8658 1 1 32 VAL CG1 C -0.733 -1.236 8.462 1.00 . A A . 32 VAL CG1 1 1 10 8659 1 1 32 VAL CG2 C -0.744 -3.218 6.954 1.00 . A A . 32 VAL CG2 1 1 10 8660 1 1 32 VAL H H -0.154 -1.017 5.649 1.00 . A A . 32 VAL H 1 1 10 8661 1 1 32 VAL HA H 1.812 -1.014 7.666 1.00 . A A . 32 VAL HA 1 1 10 8662 1 1 32 VAL HB H 0.532 -2.920 8.635 1.00 . A A . 32 VAL HB 1 1 10 8663 1 1 32 VAL HG11 H -0.111 -0.621 9.094 1.00 . A A . 32 VAL HG11 1 1 10 8664 1 1 32 VAL HG12 H -1.516 -1.696 9.049 1.00 . A A . 32 VAL HG12 1 1 10 8665 1 1 32 VAL HG13 H -1.170 -0.636 7.673 1.00 . A A . 32 VAL HG13 1 1 10 8666 1 1 32 VAL HG21 H -1.195 -2.618 6.179 1.00 . A A . 32 VAL HG21 1 1 10 8667 1 1 32 VAL HG22 H -1.521 -3.665 7.557 1.00 . A A . 32 VAL HG22 1 1 10 8668 1 1 32 VAL HG23 H -0.146 -3.992 6.498 1.00 . A A . 32 VAL HG23 1 1 10 8669 1 1 32 VAL N N 0.778 -0.874 5.911 1.00 . A A . 32 VAL N 1 1 10 8670 1 1 32 VAL O O 3.190 -3.128 7.326 1.00 . A A . 32 VAL O 1 1 10 8671 1 1 33 CYS C C 4.285 -4.042 4.408 1.00 . A A . 33 CYS C 1 1 10 8672 1 1 33 CYS CA C 2.921 -4.481 4.969 1.00 . A A . 33 CYS CA 1 1 10 8673 1 1 33 CYS CB C 2.164 -5.362 3.939 1.00 . A A . 33 CYS CB 1 1 10 8674 1 1 33 CYS H H 1.516 -2.930 4.716 1.00 . A A . 33 CYS H 1 1 10 8675 1 1 33 CYS HA H 3.106 -5.068 5.855 1.00 . A A . 33 CYS HA 1 1 10 8676 1 1 33 CYS HB2 H 2.743 -6.228 3.679 1.00 . A A . 33 CYS HB2 1 1 10 8677 1 1 33 CYS HB3 H 1.189 -5.659 4.288 1.00 . A A . 33 CYS HB3 1 1 10 8678 1 1 33 CYS N N 2.118 -3.333 5.372 1.00 . A A . 33 CYS N 1 1 10 8679 1 1 33 CYS O O 5.231 -4.811 4.390 1.00 . A A . 33 CYS O 1 1 10 8680 1 1 33 CYS SG S 1.846 -4.538 2.416 1.00 . A A . 33 CYS SG 1 1 10 8681 1 1 34 VAL C C 6.212 -1.242 4.311 1.00 . A A . 34 VAL C 1 1 10 8682 1 1 34 VAL CA C 5.546 -2.307 3.375 1.00 . A A . 34 VAL CA 1 1 10 8683 1 1 34 VAL CB C 5.200 -1.718 2.006 1.00 . A A . 34 VAL CB 1 1 10 8684 1 1 34 VAL CG1 C 4.408 -0.443 2.121 1.00 . A A . 34 VAL CG1 1 1 10 8685 1 1 34 VAL CG2 C 6.412 -1.544 1.188 1.00 . A A . 34 VAL CG2 1 1 10 8686 1 1 34 VAL H H 3.642 -2.157 4.003 1.00 . A A . 34 VAL H 1 1 10 8687 1 1 34 VAL HA H 6.231 -3.129 3.240 1.00 . A A . 34 VAL HA 1 1 10 8688 1 1 34 VAL HB H 4.563 -2.437 1.506 1.00 . A A . 34 VAL HB 1 1 10 8689 1 1 34 VAL HG11 H 4.977 0.192 2.778 1.00 . A A . 34 VAL HG11 1 1 10 8690 1 1 34 VAL HG12 H 3.395 -0.571 2.485 1.00 . A A . 34 VAL HG12 1 1 10 8691 1 1 34 VAL HG13 H 4.382 0.038 1.156 1.00 . A A . 34 VAL HG13 1 1 10 8692 1 1 34 VAL HG21 H 7.052 -0.902 1.770 1.00 . A A . 34 VAL HG21 1 1 10 8693 1 1 34 VAL HG22 H 6.138 -1.103 0.245 1.00 . A A . 34 VAL HG22 1 1 10 8694 1 1 34 VAL HG23 H 6.820 -2.536 1.077 1.00 . A A . 34 VAL HG23 1 1 10 8695 1 1 34 VAL N N 4.370 -2.801 3.963 1.00 . A A . 34 VAL N 1 1 10 8696 1 1 34 VAL O O 7.141 -0.534 3.930 1.00 . A A . 34 VAL O 1 1 10 8697 1 1 35 GLY C C 6.118 1.225 6.204 1.00 . A A . 35 GLY C 1 1 10 8698 1 1 35 GLY CA C 6.277 -0.265 6.539 1.00 . A A . 35 GLY CA 1 1 10 8699 1 1 35 GLY H H 5.113 -1.903 5.804 1.00 . A A . 35 GLY H 1 1 10 8700 1 1 35 GLY HA2 H 5.769 -0.448 7.473 1.00 . A A . 35 GLY HA2 1 1 10 8701 1 1 35 GLY HA3 H 7.326 -0.483 6.671 1.00 . A A . 35 GLY HA3 1 1 10 8702 1 1 35 GLY N N 5.751 -1.206 5.551 1.00 . A A . 35 GLY N 1 1 10 8703 1 1 35 GLY O O 7.080 1.995 6.326 1.00 . A A . 35 GLY O 1 1 10 8704 1 1 36 VAL C C 3.896 3.594 6.727 1.00 . A A . 36 VAL C 1 1 10 8705 1 1 36 VAL CA C 4.651 3.045 5.535 1.00 . A A . 36 VAL CA 1 1 10 8706 1 1 36 VAL CB C 3.695 3.286 4.305 1.00 . A A . 36 VAL CB 1 1 10 8707 1 1 36 VAL CG1 C 3.495 4.707 4.015 1.00 . A A . 36 VAL CG1 1 1 10 8708 1 1 36 VAL CG2 C 4.148 2.680 3.070 1.00 . A A . 36 VAL CG2 1 1 10 8709 1 1 36 VAL H H 4.214 0.977 5.637 1.00 . A A . 36 VAL H 1 1 10 8710 1 1 36 VAL HA H 5.573 3.585 5.381 1.00 . A A . 36 VAL HA 1 1 10 8711 1 1 36 VAL HB H 2.734 2.859 4.554 1.00 . A A . 36 VAL HB 1 1 10 8712 1 1 36 VAL HG11 H 3.250 5.293 4.886 1.00 . A A . 36 VAL HG11 1 1 10 8713 1 1 36 VAL HG12 H 2.601 4.645 3.408 1.00 . A A . 36 VAL HG12 1 1 10 8714 1 1 36 VAL HG13 H 4.314 5.100 3.427 1.00 . A A . 36 VAL HG13 1 1 10 8715 1 1 36 VAL HG21 H 3.613 3.212 2.293 1.00 . A A . 36 VAL HG21 1 1 10 8716 1 1 36 VAL HG22 H 3.914 1.631 3.065 1.00 . A A . 36 VAL HG22 1 1 10 8717 1 1 36 VAL HG23 H 5.211 2.851 2.986 1.00 . A A . 36 VAL HG23 1 1 10 8718 1 1 36 VAL N N 4.934 1.630 5.783 1.00 . A A . 36 VAL N 1 1 10 8719 1 1 36 VAL O O 3.158 2.866 7.392 1.00 . A A . 36 VAL O 1 1 10 8720 1 1 37 SER C C 2.378 6.474 7.070 1.00 . A A . 37 SER C 1 1 10 8721 1 1 37 SER CA C 3.257 5.541 7.933 1.00 . A A . 37 SER CA 1 1 10 8722 1 1 37 SER CB C 4.154 6.354 8.870 1.00 . A A . 37 SER CB 1 1 10 8723 1 1 37 SER H H 4.683 5.521 6.646 1.00 . A A . 37 SER H 1 1 10 8724 1 1 37 SER HA H 2.667 4.821 8.479 1.00 . A A . 37 SER HA 1 1 10 8725 1 1 37 SER HB2 H 4.675 7.106 8.297 1.00 . A A . 37 SER HB2 1 1 10 8726 1 1 37 SER HB3 H 3.568 6.838 9.637 1.00 . A A . 37 SER HB3 1 1 10 8727 1 1 37 SER HG H 4.671 4.802 9.961 1.00 . A A . 37 SER HG 1 1 10 8728 1 1 37 SER N N 4.067 4.851 6.999 1.00 . A A . 37 SER N 1 1 10 8729 1 1 37 SER O O 2.891 7.036 6.072 1.00 . A A . 37 SER O 1 1 10 8730 1 1 37 SER OG O 5.122 5.514 9.493 1.00 . A A . 37 SER OG 1 1 10 8731 1 1 38 PRO C C 0.680 8.828 6.172 1.00 . A A . 38 PRO C 1 1 10 8732 1 1 38 PRO CA C 0.113 7.463 6.584 1.00 . A A . 38 PRO CA 1 1 10 8733 1 1 38 PRO CB C -1.072 7.648 7.524 1.00 . A A . 38 PRO CB 1 1 10 8734 1 1 38 PRO CD C 0.414 6.090 8.600 1.00 . A A . 38 PRO CD 1 1 10 8735 1 1 38 PRO CG C -1.042 6.447 8.408 1.00 . A A . 38 PRO CG 1 1 10 8736 1 1 38 PRO HA H -0.197 6.931 5.696 1.00 . A A . 38 PRO HA 1 1 10 8737 1 1 38 PRO HB2 H -0.932 8.552 8.093 1.00 . A A . 38 PRO HB2 1 1 10 8738 1 1 38 PRO HB3 H -1.992 7.709 6.960 1.00 . A A . 38 PRO HB3 1 1 10 8739 1 1 38 PRO HD2 H 0.814 6.566 9.484 1.00 . A A . 38 PRO HD2 1 1 10 8740 1 1 38 PRO HD3 H 0.535 5.016 8.640 1.00 . A A . 38 PRO HD3 1 1 10 8741 1 1 38 PRO HG2 H -1.485 6.694 9.365 1.00 . A A . 38 PRO HG2 1 1 10 8742 1 1 38 PRO HG3 H -1.575 5.629 7.943 1.00 . A A . 38 PRO HG3 1 1 10 8743 1 1 38 PRO N N 1.074 6.653 7.404 1.00 . A A . 38 PRO N 1 1 10 8744 1 1 38 PRO O O 0.488 9.291 5.054 1.00 . A A . 38 PRO O 1 1 10 8745 1 1 39 GLU C C 3.007 10.690 5.701 1.00 . A A . 39 GLU C 1 1 10 8746 1 1 39 GLU CA C 2.060 10.711 6.890 1.00 . A A . 39 GLU CA 1 1 10 8747 1 1 39 GLU CB C 2.888 11.009 8.141 1.00 . A A . 39 GLU CB 1 1 10 8748 1 1 39 GLU CD C 2.954 11.128 10.659 1.00 . A A . 39 GLU CD 1 1 10 8749 1 1 39 GLU CG C 2.092 10.962 9.418 1.00 . A A . 39 GLU CG 1 1 10 8750 1 1 39 GLU H H 1.556 8.907 7.900 1.00 . A A . 39 GLU H 1 1 10 8751 1 1 39 GLU HA H 1.312 11.483 6.786 1.00 . A A . 39 GLU HA 1 1 10 8752 1 1 39 GLU HB2 H 3.687 10.285 8.220 1.00 . A A . 39 GLU HB2 1 1 10 8753 1 1 39 GLU HB3 H 3.314 11.996 8.039 1.00 . A A . 39 GLU HB3 1 1 10 8754 1 1 39 GLU HG2 H 1.366 11.752 9.356 1.00 . A A . 39 GLU HG2 1 1 10 8755 1 1 39 GLU HG3 H 1.583 10.010 9.465 1.00 . A A . 39 GLU HG3 1 1 10 8756 1 1 39 GLU N N 1.439 9.409 7.070 1.00 . A A . 39 GLU N 1 1 10 8757 1 1 39 GLU O O 2.998 11.570 4.874 1.00 . A A . 39 GLU O 1 1 10 8758 1 1 39 GLU OE1 O 3.422 12.250 10.928 1.00 . A A . 39 GLU OE1 1 1 10 8759 1 1 39 GLU OE2 O 3.185 10.123 11.369 1.00 . A A . 39 GLU OE2 1 1 10 8760 1 1 40 MET C C 4.268 9.328 3.207 1.00 . A A . 40 MET C 1 1 10 8761 1 1 40 MET CA C 4.818 9.573 4.602 1.00 . A A . 40 MET CA 1 1 10 8762 1 1 40 MET CB C 5.906 8.557 4.953 1.00 . A A . 40 MET CB 1 1 10 8763 1 1 40 MET CE C 9.067 7.907 5.094 1.00 . A A . 40 MET CE 1 1 10 8764 1 1 40 MET CG C 6.693 8.910 6.193 1.00 . A A . 40 MET CG 1 1 10 8765 1 1 40 MET H H 3.511 8.907 6.194 1.00 . A A . 40 MET H 1 1 10 8766 1 1 40 MET HA H 5.270 10.556 4.595 1.00 . A A . 40 MET HA 1 1 10 8767 1 1 40 MET HB2 H 5.449 7.590 5.105 1.00 . A A . 40 MET HB2 1 1 10 8768 1 1 40 MET HB3 H 6.600 8.498 4.128 1.00 . A A . 40 MET HB3 1 1 10 8769 1 1 40 MET HE1 H 9.406 8.927 5.024 1.00 . A A . 40 MET HE1 1 1 10 8770 1 1 40 MET HE2 H 8.520 7.645 4.200 1.00 . A A . 40 MET HE2 1 1 10 8771 1 1 40 MET HE3 H 9.929 7.265 5.197 1.00 . A A . 40 MET HE3 1 1 10 8772 1 1 40 MET HG2 H 7.137 9.888 6.076 1.00 . A A . 40 MET HG2 1 1 10 8773 1 1 40 MET HG3 H 6.018 8.924 7.035 1.00 . A A . 40 MET HG3 1 1 10 8774 1 1 40 MET N N 3.781 9.654 5.618 1.00 . A A . 40 MET N 1 1 10 8775 1 1 40 MET O O 4.599 10.036 2.286 1.00 . A A . 40 MET O 1 1 10 8776 1 1 40 MET SD S 8.018 7.737 6.552 1.00 . A A . 40 MET SD 1 1 10 8777 1 1 41 ALA C C 1.896 8.979 1.197 1.00 . A A . 41 ALA C 1 1 10 8778 1 1 41 ALA CA C 2.867 7.962 1.742 1.00 . A A . 41 ALA CA 1 1 10 8779 1 1 41 ALA CB C 2.145 6.657 1.821 1.00 . A A . 41 ALA CB 1 1 10 8780 1 1 41 ALA H H 3.100 7.784 3.832 1.00 . A A . 41 ALA H 1 1 10 8781 1 1 41 ALA HA H 3.692 7.841 1.055 1.00 . A A . 41 ALA HA 1 1 10 8782 1 1 41 ALA HB1 H 1.406 6.806 2.596 1.00 . A A . 41 ALA HB1 1 1 10 8783 1 1 41 ALA HB2 H 2.784 5.799 2.001 1.00 . A A . 41 ALA HB2 1 1 10 8784 1 1 41 ALA HB3 H 1.614 6.533 0.891 1.00 . A A . 41 ALA HB3 1 1 10 8785 1 1 41 ALA N N 3.401 8.330 3.070 1.00 . A A . 41 ALA N 1 1 10 8786 1 1 41 ALA O O 1.809 9.168 0.006 1.00 . A A . 41 ALA O 1 1 10 8787 1 1 42 GLU C C 0.698 11.919 1.392 1.00 . A A . 42 GLU C 1 1 10 8788 1 1 42 GLU CA C 0.142 10.514 1.593 1.00 . A A . 42 GLU CA 1 1 10 8789 1 1 42 GLU CB C -1.035 10.530 2.555 1.00 . A A . 42 GLU CB 1 1 10 8790 1 1 42 GLU CD C -3.012 9.359 3.552 1.00 . A A . 42 GLU CD 1 1 10 8791 1 1 42 GLU CG C -1.813 9.224 2.648 1.00 . A A . 42 GLU CG 1 1 10 8792 1 1 42 GLU H H 1.279 9.489 3.017 1.00 . A A . 42 GLU H 1 1 10 8793 1 1 42 GLU HA H -0.209 10.148 0.641 1.00 . A A . 42 GLU HA 1 1 10 8794 1 1 42 GLU HB2 H -0.639 10.727 3.539 1.00 . A A . 42 GLU HB2 1 1 10 8795 1 1 42 GLU HB3 H -1.709 11.323 2.284 1.00 . A A . 42 GLU HB3 1 1 10 8796 1 1 42 GLU HG2 H -2.153 8.944 1.661 1.00 . A A . 42 GLU HG2 1 1 10 8797 1 1 42 GLU HG3 H -1.172 8.449 3.044 1.00 . A A . 42 GLU HG3 1 1 10 8798 1 1 42 GLU N N 1.155 9.602 2.052 1.00 . A A . 42 GLU N 1 1 10 8799 1 1 42 GLU O O 0.170 12.706 0.590 1.00 . A A . 42 GLU O 1 1 10 8800 1 1 42 GLU OE1 O -4.049 9.922 3.099 1.00 . A A . 42 GLU OE1 1 1 10 8801 1 1 42 GLU OE2 O -2.955 8.929 4.711 1.00 . A A . 42 GLU OE2 1 1 10 8802 1 1 43 ASN C C 3.525 13.668 1.085 1.00 . A A . 43 ASN C 1 1 10 8803 1 1 43 ASN CA C 2.351 13.557 2.034 1.00 . A A . 43 ASN CA 1 1 10 8804 1 1 43 ASN CB C 2.702 14.130 3.386 1.00 . A A . 43 ASN CB 1 1 10 8805 1 1 43 ASN CG C 1.501 14.671 4.150 1.00 . A A . 43 ASN CG 1 1 10 8806 1 1 43 ASN H H 2.001 11.532 2.769 1.00 . A A . 43 ASN H 1 1 10 8807 1 1 43 ASN HA H 1.576 14.185 1.624 1.00 . A A . 43 ASN HA 1 1 10 8808 1 1 43 ASN HB2 H 3.157 13.335 3.960 1.00 . A A . 43 ASN HB2 1 1 10 8809 1 1 43 ASN HB3 H 3.433 14.898 3.232 1.00 . A A . 43 ASN HB3 1 1 10 8810 1 1 43 ASN HD21 H 1.771 16.456 3.345 1.00 . A A . 43 ASN HD21 1 1 10 8811 1 1 43 ASN HD22 H 0.462 16.332 4.459 1.00 . A A . 43 ASN HD22 1 1 10 8812 1 1 43 ASN N N 1.743 12.235 2.130 1.00 . A A . 43 ASN N 1 1 10 8813 1 1 43 ASN ND2 N 1.212 15.937 3.964 1.00 . A A . 43 ASN ND2 1 1 10 8814 1 1 43 ASN O O 3.805 14.773 0.579 1.00 . A A . 43 ASN O 1 1 10 8815 1 1 43 ASN OD1 O 0.840 13.962 4.908 1.00 . A A . 43 ASN OD1 1 1 10 8816 1 1 44 GLU C C 5.485 11.437 -0.944 1.00 . A A . 44 GLU C 1 1 10 8817 1 1 44 GLU CA C 5.379 12.643 -0.053 1.00 . A A . 44 GLU CA 1 1 10 8818 1 1 44 GLU CB C 6.701 12.810 0.711 1.00 . A A . 44 GLU CB 1 1 10 8819 1 1 44 GLU CD C 8.193 14.285 2.054 1.00 . A A . 44 GLU CD 1 1 10 8820 1 1 44 GLU CG C 6.810 14.068 1.536 1.00 . A A . 44 GLU CG 1 1 10 8821 1 1 44 GLU H H 3.937 11.719 1.202 1.00 . A A . 44 GLU H 1 1 10 8822 1 1 44 GLU HA H 5.238 13.521 -0.667 1.00 . A A . 44 GLU HA 1 1 10 8823 1 1 44 GLU HB2 H 6.825 11.968 1.373 1.00 . A A . 44 GLU HB2 1 1 10 8824 1 1 44 GLU HB3 H 7.513 12.806 0.001 1.00 . A A . 44 GLU HB3 1 1 10 8825 1 1 44 GLU HG2 H 6.521 14.917 0.936 1.00 . A A . 44 GLU HG2 1 1 10 8826 1 1 44 GLU HG3 H 6.140 13.970 2.376 1.00 . A A . 44 GLU HG3 1 1 10 8827 1 1 44 GLU N N 4.224 12.581 0.827 1.00 . A A . 44 GLU N 1 1 10 8828 1 1 44 GLU O O 4.751 10.465 -0.777 1.00 . A A . 44 GLU O 1 1 10 8829 1 1 44 GLU OE1 O 8.528 13.768 3.111 1.00 . A A . 44 GLU OE1 1 1 10 8830 1 1 44 GLU OE2 O 8.977 15.005 1.391 1.00 . A A . 44 GLU OE2 1 1 10 8831 1 1 45 ASP C C 7.125 9.239 -2.055 1.00 . A A . 45 ASP C 1 1 10 8832 1 1 45 ASP CA C 6.759 10.463 -2.837 1.00 . A A . 45 ASP CA 1 1 10 8833 1 1 45 ASP CB C 8.035 10.869 -3.596 1.00 . A A . 45 ASP CB 1 1 10 8834 1 1 45 ASP CG C 8.014 12.284 -4.100 1.00 . A A . 45 ASP CG 1 1 10 8835 1 1 45 ASP H H 6.950 12.338 -2.024 1.00 . A A . 45 ASP H 1 1 10 8836 1 1 45 ASP HA H 5.965 10.282 -3.545 1.00 . A A . 45 ASP HA 1 1 10 8837 1 1 45 ASP HB2 H 8.892 10.742 -2.949 1.00 . A A . 45 ASP HB2 1 1 10 8838 1 1 45 ASP HB3 H 8.159 10.213 -4.445 1.00 . A A . 45 ASP HB3 1 1 10 8839 1 1 45 ASP N N 6.418 11.527 -1.887 1.00 . A A . 45 ASP N 1 1 10 8840 1 1 45 ASP O O 7.977 9.326 -1.147 1.00 . A A . 45 ASP O 1 1 10 8841 1 1 45 ASP OD1 O 8.292 13.222 -3.296 1.00 . A A . 45 ASP OD1 1 1 10 8842 1 1 45 ASP OD2 O 7.740 12.505 -5.276 1.00 . A A . 45 ASP OD2 1 1 10 8843 1 1 46 TYR C C 7.729 5.931 -2.361 1.00 . A A . 46 TYR C 1 1 10 8844 1 1 46 TYR CA C 6.934 6.978 -1.589 1.00 . A A . 46 TYR CA 1 1 10 8845 1 1 46 TYR CB C 5.819 6.419 -0.695 1.00 . A A . 46 TYR CB 1 1 10 8846 1 1 46 TYR CD1 C 7.177 5.561 1.262 1.00 . A A . 46 TYR CD1 1 1 10 8847 1 1 46 TYR CD2 C 5.991 4.032 -0.075 1.00 . A A . 46 TYR CD2 1 1 10 8848 1 1 46 TYR CE1 C 7.663 4.520 2.043 1.00 . A A . 46 TYR CE1 1 1 10 8849 1 1 46 TYR CE2 C 6.472 2.979 0.676 1.00 . A A . 46 TYR CE2 1 1 10 8850 1 1 46 TYR CG C 6.314 5.313 0.198 1.00 . A A . 46 TYR CG 1 1 10 8851 1 1 46 TYR CZ C 7.309 3.225 1.733 1.00 . A A . 46 TYR CZ 1 1 10 8852 1 1 46 TYR H H 5.915 8.021 -3.109 1.00 . A A . 46 TYR H 1 1 10 8853 1 1 46 TYR HA H 7.691 7.376 -0.929 1.00 . A A . 46 TYR HA 1 1 10 8854 1 1 46 TYR HB2 H 5.449 7.208 -0.058 1.00 . A A . 46 TYR HB2 1 1 10 8855 1 1 46 TYR HB3 H 5.014 6.032 -1.299 1.00 . A A . 46 TYR HB3 1 1 10 8856 1 1 46 TYR HD1 H 7.458 6.576 1.506 1.00 . A A . 46 TYR HD1 1 1 10 8857 1 1 46 TYR HD2 H 5.312 3.932 -0.899 1.00 . A A . 46 TYR HD2 1 1 10 8858 1 1 46 TYR HE1 H 8.317 4.732 2.876 1.00 . A A . 46 TYR HE1 1 1 10 8859 1 1 46 TYR HE2 H 6.192 1.965 0.434 1.00 . A A . 46 TYR HE2 1 1 10 8860 1 1 46 TYR HH H 7.709 2.312 3.420 1.00 . A A . 46 TYR HH 1 1 10 8861 1 1 46 TYR N N 6.559 8.102 -2.358 1.00 . A A . 46 TYR N 1 1 10 8862 1 1 46 TYR O O 7.369 5.487 -3.451 1.00 . A A . 46 TYR O 1 1 10 8863 1 1 46 TYR OH O 7.801 2.169 2.473 1.00 . A A . 46 TYR OH 1 1 10 8864 1 1 47 ILE C C 9.790 3.429 -1.403 1.00 . A A . 47 ILE C 1 1 10 8865 1 1 47 ILE CA C 9.767 4.628 -2.313 1.00 . A A . 47 ILE CA 1 1 10 8866 1 1 47 ILE CB C 11.190 5.244 -2.393 1.00 . A A . 47 ILE CB 1 1 10 8867 1 1 47 ILE CD1 C 10.780 6.376 -4.670 1.00 . A A . 47 ILE CD1 1 1 10 8868 1 1 47 ILE CG1 C 11.176 6.549 -3.217 1.00 . A A . 47 ILE CG1 1 1 10 8869 1 1 47 ILE CG2 C 12.190 4.249 -2.989 1.00 . A A . 47 ILE CG2 1 1 10 8870 1 1 47 ILE H H 8.823 6.022 -0.894 1.00 . A A . 47 ILE H 1 1 10 8871 1 1 47 ILE HA H 9.444 4.306 -3.293 1.00 . A A . 47 ILE HA 1 1 10 8872 1 1 47 ILE HB H 11.504 5.476 -1.388 1.00 . A A . 47 ILE HB 1 1 10 8873 1 1 47 ILE HD11 H 9.782 5.969 -4.732 1.00 . A A . 47 ILE HD11 1 1 10 8874 1 1 47 ILE HD12 H 11.474 5.702 -5.149 1.00 . A A . 47 ILE HD12 1 1 10 8875 1 1 47 ILE HD13 H 10.807 7.337 -5.162 1.00 . A A . 47 ILE HD13 1 1 10 8876 1 1 47 ILE HG12 H 10.448 7.218 -2.785 1.00 . A A . 47 ILE HG12 1 1 10 8877 1 1 47 ILE HG13 H 12.149 7.013 -3.188 1.00 . A A . 47 ILE HG13 1 1 10 8878 1 1 47 ILE HG21 H 12.208 3.358 -2.383 1.00 . A A . 47 ILE HG21 1 1 10 8879 1 1 47 ILE HG22 H 13.178 4.688 -3.010 1.00 . A A . 47 ILE HG22 1 1 10 8880 1 1 47 ILE HG23 H 11.891 3.992 -3.995 1.00 . A A . 47 ILE HG23 1 1 10 8881 1 1 47 ILE N N 8.826 5.569 -1.762 1.00 . A A . 47 ILE N 1 1 10 8882 1 1 47 ILE O O 10.058 3.564 -0.207 1.00 . A A . 47 ILE O 1 1 10 8883 1 1 48 CYS C C 10.831 0.587 -0.717 1.00 . A A . 48 CYS C 1 1 10 8884 1 1 48 CYS CA C 9.413 1.055 -1.118 1.00 . A A . 48 CYS CA 1 1 10 8885 1 1 48 CYS CB C 8.683 -0.082 -1.845 1.00 . A A . 48 CYS CB 1 1 10 8886 1 1 48 CYS H H 9.367 2.311 -2.928 1.00 . A A . 48 CYS H 1 1 10 8887 1 1 48 CYS HA H 8.871 1.316 -0.220 1.00 . A A . 48 CYS HA 1 1 10 8888 1 1 48 CYS HB2 H 8.337 -0.782 -1.100 1.00 . A A . 48 CYS HB2 1 1 10 8889 1 1 48 CYS HB3 H 7.819 0.302 -2.367 1.00 . A A . 48 CYS HB3 1 1 10 8890 1 1 48 CYS N N 9.504 2.264 -1.955 1.00 . A A . 48 CYS N 1 1 10 8891 1 1 48 CYS O O 11.818 1.045 -1.295 1.00 . A A . 48 CYS O 1 1 10 8892 1 1 48 CYS SG S 9.707 -0.996 -3.006 1.00 . A A . 48 CYS SG 1 1 10 8893 1 1 49 ILE C C 13.014 -1.569 -0.309 1.00 . A A . 49 ILE C 1 1 10 8894 1 1 49 ILE CA C 12.195 -0.824 0.726 1.00 . A A . 49 ILE CA 1 1 10 8895 1 1 49 ILE CB C 11.991 -1.629 2.008 1.00 . A A . 49 ILE CB 1 1 10 8896 1 1 49 ILE CD1 C 11.866 -4.097 1.264 1.00 . A A . 49 ILE CD1 1 1 10 8897 1 1 49 ILE CG1 C 11.157 -2.868 1.830 1.00 . A A . 49 ILE CG1 1 1 10 8898 1 1 49 ILE CG2 C 11.306 -0.749 3.002 1.00 . A A . 49 ILE CG2 1 1 10 8899 1 1 49 ILE H H 10.135 -0.815 0.584 1.00 . A A . 49 ILE H 1 1 10 8900 1 1 49 ILE HA H 12.722 0.065 1.015 1.00 . A A . 49 ILE HA 1 1 10 8901 1 1 49 ILE HB H 12.964 -1.895 2.386 1.00 . A A . 49 ILE HB 1 1 10 8902 1 1 49 ILE HD11 H 12.289 -3.862 0.297 1.00 . A A . 49 ILE HD11 1 1 10 8903 1 1 49 ILE HD12 H 11.160 -4.909 1.167 1.00 . A A . 49 ILE HD12 1 1 10 8904 1 1 49 ILE HD13 H 12.655 -4.395 1.941 1.00 . A A . 49 ILE HD13 1 1 10 8905 1 1 49 ILE HG12 H 10.921 -3.001 2.863 1.00 . A A . 49 ILE HG12 1 1 10 8906 1 1 49 ILE HG13 H 10.258 -2.633 1.279 1.00 . A A . 49 ILE HG13 1 1 10 8907 1 1 49 ILE HG21 H 11.905 0.121 3.225 1.00 . A A . 49 ILE HG21 1 1 10 8908 1 1 49 ILE HG22 H 11.046 -1.302 3.892 1.00 . A A . 49 ILE HG22 1 1 10 8909 1 1 49 ILE HG23 H 10.420 -0.445 2.460 1.00 . A A . 49 ILE HG23 1 1 10 8910 1 1 49 ILE N N 10.922 -0.363 0.213 1.00 . A A . 49 ILE N 1 1 10 8911 1 1 49 ILE O O 14.238 -1.595 -0.266 1.00 . A A . 49 ILE O 1 1 10 8912 1 1 50 ASN C C 13.650 -1.936 -3.322 1.00 . A A . 50 ASN C 1 1 10 8913 1 1 50 ASN CA C 12.914 -2.866 -2.368 1.00 . A A . 50 ASN CA 1 1 10 8914 1 1 50 ASN CB C 11.857 -3.673 -3.145 1.00 . A A . 50 ASN CB 1 1 10 8915 1 1 50 ASN CG C 11.250 -4.803 -2.351 1.00 . A A . 50 ASN CG 1 1 10 8916 1 1 50 ASN H H 11.347 -1.944 -1.149 1.00 . A A . 50 ASN H 1 1 10 8917 1 1 50 ASN HA H 13.628 -3.558 -1.944 1.00 . A A . 50 ASN HA 1 1 10 8918 1 1 50 ASN HB2 H 11.061 -3.003 -3.438 1.00 . A A . 50 ASN HB2 1 1 10 8919 1 1 50 ASN HB3 H 12.306 -4.076 -4.037 1.00 . A A . 50 ASN HB3 1 1 10 8920 1 1 50 ASN HD21 H 12.664 -6.039 -2.996 1.00 . A A . 50 ASN HD21 1 1 10 8921 1 1 50 ASN HD22 H 11.500 -6.705 -1.921 1.00 . A A . 50 ASN HD22 1 1 10 8922 1 1 50 ASN N N 12.310 -2.115 -1.262 1.00 . A A . 50 ASN N 1 1 10 8923 1 1 50 ASN ND2 N 11.862 -5.957 -2.437 1.00 . A A . 50 ASN ND2 1 1 10 8924 1 1 50 ASN O O 14.676 -2.300 -3.901 1.00 . A A . 50 ASN O 1 1 10 8925 1 1 50 ASN OD1 O 10.235 -4.638 -1.666 1.00 . A A . 50 ASN OD1 1 1 10 8926 1 1 51 CYS C C 14.570 1.259 -3.546 1.00 . A A . 51 CYS C 1 1 10 8927 1 1 51 CYS CA C 13.723 0.255 -4.346 1.00 . A A . 51 CYS CA 1 1 10 8928 1 1 51 CYS CB C 12.630 0.979 -5.147 1.00 . A A . 51 CYS CB 1 1 10 8929 1 1 51 CYS H H 12.332 -0.531 -2.927 1.00 . A A . 51 CYS H 1 1 10 8930 1 1 51 CYS HA H 14.377 -0.265 -5.027 1.00 . A A . 51 CYS HA 1 1 10 8931 1 1 51 CYS HB2 H 11.996 1.526 -4.465 1.00 . A A . 51 CYS HB2 1 1 10 8932 1 1 51 CYS HB3 H 13.091 1.677 -5.832 1.00 . A A . 51 CYS HB3 1 1 10 8933 1 1 51 CYS N N 13.131 -0.728 -3.459 1.00 . A A . 51 CYS N 1 1 10 8934 1 1 51 CYS O O 15.183 2.161 -4.108 1.00 . A A . 51 CYS O 1 1 10 8935 1 1 51 CYS SG S 11.548 -0.116 -6.124 1.00 . A A . 51 CYS SG 1 1 10 8936 1 1 52 ALA C C 16.503 1.204 -0.650 1.00 . A A . 52 ALA C 1 1 10 8937 1 1 52 ALA CA C 15.380 1.965 -1.363 1.00 . A A . 52 ALA CA 1 1 10 8938 1 1 52 ALA CB C 14.483 2.662 -0.354 1.00 . A A . 52 ALA CB 1 1 10 8939 1 1 52 ALA H H 14.080 0.331 -1.881 1.00 . A A . 52 ALA H 1 1 10 8940 1 1 52 ALA HA H 15.819 2.716 -2.002 1.00 . A A . 52 ALA HA 1 1 10 8941 1 1 52 ALA HB1 H 15.064 3.371 0.220 1.00 . A A . 52 ALA HB1 1 1 10 8942 1 1 52 ALA HB2 H 14.058 1.921 0.306 1.00 . A A . 52 ALA HB2 1 1 10 8943 1 1 52 ALA HB3 H 13.693 3.185 -0.874 1.00 . A A . 52 ALA HB3 1 1 10 8944 1 1 52 ALA N N 14.596 1.085 -2.240 1.00 . A A . 52 ALA N 1 1 10 8945 2 2 1 ALA C C 1.270 9.273 -4.615 1.00 . B B . 301 ALA C 1 1 10 8946 2 2 1 ALA CA C 2.682 9.612 -4.119 1.00 . B B . 301 ALA CA 1 1 10 8947 2 2 1 ALA CB C 2.998 8.783 -2.876 1.00 . B B . 301 ALA CB 1 1 10 8948 2 2 1 ALA HA H 3.396 9.359 -4.891 1.00 . B B . 301 ALA HA 1 1 10 8949 2 2 1 ALA HB1 H 2.315 9.043 -2.080 1.00 . B B . 301 ALA HB1 1 1 10 8950 2 2 1 ALA HB2 H 4.015 8.966 -2.557 1.00 . B B . 301 ALA HB2 1 1 10 8951 2 2 1 ALA HB3 H 2.886 7.732 -3.111 1.00 . B B . 301 ALA HB3 1 1 10 8952 2 2 1 ALA N N 2.804 11.068 -3.824 1.00 . B B . 301 ALA N 1 1 10 8953 2 2 1 ALA O O 0.397 10.162 -4.777 1.00 . B B . 301 ALA O 1 1 10 8954 2 2 2 ARG C C -0.753 6.488 -4.304 1.00 . B B . 302 ARG C 1 1 10 8955 2 2 2 ARG CA C -0.250 7.535 -5.277 1.00 . B B . 302 ARG CA 1 1 10 8956 2 2 2 ARG CB C -0.234 6.997 -6.716 1.00 . B B . 302 ARG CB 1 1 10 8957 2 2 2 ARG CD C -0.582 9.298 -7.707 1.00 . B B . 302 ARG CD 1 1 10 8958 2 2 2 ARG CG C 0.232 8.007 -7.762 1.00 . B B . 302 ARG CG 1 1 10 8959 2 2 2 ARG CZ C -3.003 9.579 -7.140 1.00 . B B . 302 ARG CZ 1 1 10 8960 2 2 2 ARG H H 1.782 7.368 -4.764 1.00 . B B . 302 ARG H 1 1 10 8961 2 2 2 ARG HA H -0.923 8.377 -5.225 1.00 . B B . 302 ARG HA 1 1 10 8962 2 2 2 ARG HB2 H 0.437 6.155 -6.762 1.00 . B B . 302 ARG HB2 1 1 10 8963 2 2 2 ARG HB3 H -1.228 6.671 -6.990 1.00 . B B . 302 ARG HB3 1 1 10 8964 2 2 2 ARG HD2 H -0.432 9.768 -6.748 1.00 . B B . 302 ARG HD2 1 1 10 8965 2 2 2 ARG HD3 H -0.216 9.967 -8.468 1.00 . B B . 302 ARG HD3 1 1 10 8966 2 2 2 ARG HE H -2.226 8.536 -8.728 1.00 . B B . 302 ARG HE 1 1 10 8967 2 2 2 ARG HG2 H 1.268 8.241 -7.567 1.00 . B B . 302 ARG HG2 1 1 10 8968 2 2 2 ARG HG3 H 0.127 7.559 -8.739 1.00 . B B . 302 ARG HG3 1 1 10 8969 2 2 2 ARG HH11 H -1.739 10.467 -5.782 1.00 . B B . 302 ARG HH11 1 1 10 8970 2 2 2 ARG HH12 H -3.373 10.701 -5.436 1.00 . B B . 302 ARG HH12 1 1 10 8971 2 2 2 ARG HH21 H -4.579 8.837 -8.248 1.00 . B B . 302 ARG HH21 1 1 10 8972 2 2 2 ARG HH22 H -5.040 9.708 -6.887 1.00 . B B . 302 ARG HH22 1 1 10 8973 2 2 2 ARG N N 1.039 8.001 -4.867 1.00 . B B . 302 ARG N 1 1 10 8974 2 2 2 ARG NE N -2.023 9.075 -7.929 1.00 . B B . 302 ARG NE 1 1 10 8975 2 2 2 ARG NH1 N -2.688 10.291 -6.051 1.00 . B B . 302 ARG NH1 1 1 10 8976 2 2 2 ARG NH2 N -4.278 9.365 -7.448 1.00 . B B . 302 ARG NH2 1 1 10 8977 2 2 2 ARG O O -0.132 5.456 -4.110 1.00 . B B . 302 ARG O 1 1 10 8978 2 2 3 THR C C -3.851 5.504 -3.129 1.00 . B B . 303 THR C 1 1 10 8979 2 2 3 THR CA C -2.442 5.889 -2.721 1.00 . B B . 303 THR CA 1 1 10 8980 2 2 3 THR CB C -2.470 6.588 -1.352 1.00 . B B . 303 THR CB 1 1 10 8981 2 2 3 THR CG2 C -1.083 6.603 -0.735 1.00 . B B . 303 THR CG2 1 1 10 8982 2 2 3 THR H H -2.335 7.605 -3.859 1.00 . B B . 303 THR H 1 1 10 8983 2 2 3 THR HA H -1.830 5.005 -2.635 1.00 . B B . 303 THR HA 1 1 10 8984 2 2 3 THR HB H -3.152 6.058 -0.703 1.00 . B B . 303 THR HB 1 1 10 8985 2 2 3 THR HG1 H -3.359 8.275 -0.710 1.00 . B B . 303 THR HG1 1 1 10 8986 2 2 3 THR HG21 H -0.409 7.108 -1.410 1.00 . B B . 303 THR HG21 1 1 10 8987 2 2 3 THR HG22 H -0.775 5.572 -0.645 1.00 . B B . 303 THR HG22 1 1 10 8988 2 2 3 THR HG23 H -1.082 7.086 0.234 1.00 . B B . 303 THR HG23 1 1 10 8989 2 2 3 THR N N -1.854 6.768 -3.690 1.00 . B B . 303 THR N 1 1 10 8990 2 2 3 THR O O -4.415 6.091 -4.062 1.00 . B B . 303 THR O 1 1 10 8991 2 2 3 THR OG1 O -2.962 7.937 -1.523 1.00 . B B . 303 THR OG1 1 1 10 8992 2 2 4 . C C -6.327 3.415 -1.485 1.00 . B B . 304 M3L C 1 1 10 8993 2 2 4 . CA C -5.791 4.121 -2.687 1.00 . B B . 304 M3L CA 1 1 10 8994 2 2 4 . CB C -6.009 3.219 -3.927 1.00 . B B . 304 M3L CB 1 1 10 8995 2 2 4 . CD C -5.626 0.953 -4.993 1.00 . B B . 304 M3L CD 1 1 10 8996 2 2 4 . CE C -5.435 1.526 -6.359 1.00 . B B . 304 M3L CE 1 1 10 8997 2 2 4 . CG C -5.250 1.932 -3.891 1.00 . B B . 304 M3L CG 1 1 10 8998 2 2 4 . CM1 C -4.729 -0.687 -7.283 1.00 . B B . 304 M3L CM1 1 1 10 8999 2 2 4 . CM2 C -5.257 1.197 -8.737 1.00 . B B . 304 M3L CM2 1 1 10 9000 2 2 4 . CM3 C -7.004 0.010 -7.546 1.00 . B B . 304 M3L CM3 1 1 10 9001 2 2 4 . H H -3.882 4.020 -1.787 1.00 . B B . 304 M3L H 1 1 10 9002 2 2 4 . HA H -6.345 5.037 -2.823 1.00 . B B . 304 M3L HA 1 1 10 9003 2 2 4 . HB2 H -5.778 3.755 -4.834 1.00 . B B . 304 M3L HB2 1 1 10 9004 2 2 4 . HB3 H -7.044 2.923 -3.900 1.00 . B B . 304 M3L HB3 1 1 10 9005 2 2 4 . HD2 H -6.657 0.660 -4.875 1.00 . B B . 304 M3L HD2 1 1 10 9006 2 2 4 . HD3 H -4.966 0.101 -4.937 1.00 . B B . 304 M3L HD3 1 1 10 9007 2 2 4 . HE2 H -4.445 1.955 -6.417 1.00 . B B . 304 M3L HE2 1 1 10 9008 2 2 4 . HE3 H -6.174 2.310 -6.453 1.00 . B B . 304 M3L HE3 1 1 10 9009 2 2 4 . HG2 H -5.462 1.471 -2.939 1.00 . B B . 304 M3L HG2 1 1 10 9010 2 2 4 . HG3 H -4.195 2.144 -3.978 1.00 . B B . 304 M3L HG3 1 1 10 9011 2 2 4 . HM11 H -4.917 -1.265 -6.386 1.00 . B B . 304 M3L HM11 1 1 10 9012 2 2 4 . HM12 H -3.683 -0.416 -7.225 1.00 . B B . 304 M3L HM12 1 1 10 9013 2 2 4 . HM13 H -4.794 -1.387 -8.102 1.00 . B B . 304 M3L HM13 1 1 10 9014 2 2 4 . HM21 H -4.654 2.065 -8.508 1.00 . B B . 304 M3L HM21 1 1 10 9015 2 2 4 . HM22 H -6.114 1.564 -9.281 1.00 . B B . 304 M3L HM22 1 1 10 9016 2 2 4 . HM23 H -4.670 0.583 -9.404 1.00 . B B . 304 M3L HM23 1 1 10 9017 2 2 4 . HM31 H -7.322 -0.490 -6.642 1.00 . B B . 304 M3L HM31 1 1 10 9018 2 2 4 . HM32 H -7.157 -0.699 -8.348 1.00 . B B . 304 M3L HM32 1 1 10 9019 2 2 4 . HM33 H -7.720 0.797 -7.718 1.00 . B B . 304 M3L HM33 1 1 10 9020 2 2 4 . N N -4.405 4.508 -2.465 1.00 . B B . 304 M3L N 1 1 10 9021 2 2 4 . NZ N -5.615 0.504 -7.476 1.00 . B B . 304 M3L NZ 1 1 10 9022 2 2 4 . O O -5.587 3.118 -0.545 1.00 . B B . 304 M3L O 1 1 10 9023 2 2 5 GLN C C -9.416 1.685 -1.138 1.00 . B B . 305 GLN C 1 1 10 9024 2 2 5 GLN CA C -8.277 2.430 -0.489 1.00 . B B . 305 GLN CA 1 1 10 9025 2 2 5 GLN CB C -8.806 3.417 0.550 1.00 . B B . 305 GLN CB 1 1 10 9026 2 2 5 GLN CD C -9.953 3.787 2.758 1.00 . B B . 305 GLN CD 1 1 10 9027 2 2 5 GLN CG C -9.460 2.768 1.755 1.00 . B B . 305 GLN CG 1 1 10 9028 2 2 5 GLN H H -8.103 3.371 -2.335 1.00 . B B . 305 GLN H 1 1 10 9029 2 2 5 GLN HA H -7.597 1.730 -0.027 1.00 . B B . 305 GLN HA 1 1 10 9030 2 2 5 GLN HB2 H -7.988 4.021 0.915 1.00 . B B . 305 GLN HB2 1 1 10 9031 2 2 5 GLN HB3 H -9.528 4.070 0.080 1.00 . B B . 305 GLN HB3 1 1 10 9032 2 2 5 GLN HE21 H -8.167 3.822 3.625 1.00 . B B . 305 GLN HE21 1 1 10 9033 2 2 5 GLN HE22 H -9.400 4.833 4.318 1.00 . B B . 305 GLN HE22 1 1 10 9034 2 2 5 GLN HG2 H -10.296 2.168 1.427 1.00 . B B . 305 GLN HG2 1 1 10 9035 2 2 5 GLN HG3 H -8.726 2.134 2.232 1.00 . B B . 305 GLN HG3 1 1 10 9036 2 2 5 GLN N N -7.591 3.125 -1.536 1.00 . B B . 305 GLN N 1 1 10 9037 2 2 5 GLN NE2 N -9.090 4.190 3.650 1.00 . B B . 305 GLN NE2 1 1 10 9038 2 2 5 GLN O O -10.337 2.293 -1.667 1.00 . B B . 305 GLN O 1 1 10 9039 2 2 5 GLN OE1 O -11.103 4.237 2.700 1.00 . B B . 305 GLN OE1 1 1 10 9040 2 2 6 THR C C -11.375 -0.850 -0.810 1.00 . B B . 306 THR C 1 1 10 9041 2 2 6 THR CA C -10.334 -0.399 -1.810 1.00 . B B . 306 THR CA 1 1 10 9042 2 2 6 THR CB C -9.692 -1.634 -2.481 1.00 . B B . 306 THR CB 1 1 10 9043 2 2 6 THR CG2 C -8.648 -1.206 -3.525 1.00 . B B . 306 THR CG2 1 1 10 9044 2 2 6 THR H H -8.589 -0.043 -0.689 1.00 . B B . 306 THR H 1 1 10 9045 2 2 6 THR HA H -10.816 0.196 -2.571 1.00 . B B . 306 THR HA 1 1 10 9046 2 2 6 THR HB H -10.463 -2.218 -2.960 1.00 . B B . 306 THR HB 1 1 10 9047 2 2 6 THR HG1 H -9.605 -2.342 -0.676 1.00 . B B . 306 THR HG1 1 1 10 9048 2 2 6 THR HG21 H -9.070 -0.532 -4.254 1.00 . B B . 306 THR HG21 1 1 10 9049 2 2 6 THR HG22 H -8.253 -2.081 -4.020 1.00 . B B . 306 THR HG22 1 1 10 9050 2 2 6 THR HG23 H -7.816 -0.730 -3.019 1.00 . B B . 306 THR HG23 1 1 10 9051 2 2 6 THR N N -9.335 0.393 -1.151 1.00 . B B . 306 THR N 1 1 10 9052 2 2 6 THR O O -11.024 -1.400 0.246 1.00 . B B . 306 THR O 1 1 10 9053 2 2 6 THR OG1 O -9.055 -2.435 -1.468 1.00 . B B . 306 THR OG1 1 1 10 9054 2 2 7 ALA C C -14.279 -2.336 -0.719 1.00 . B B . 307 ALA C 1 1 10 9055 2 2 7 ALA CA C -13.690 -1.024 -0.252 1.00 . B B . 307 ALA CA 1 1 10 9056 2 2 7 ALA CB C -14.766 0.047 -0.166 1.00 . B B . 307 ALA CB 1 1 10 9057 2 2 7 ALA H H -12.856 -0.177 -1.964 1.00 . B B . 307 ALA H 1 1 10 9058 2 2 7 ALA HA H -13.270 -1.169 0.734 1.00 . B B . 307 ALA HA 1 1 10 9059 2 2 7 ALA HB1 H -14.332 0.982 0.152 1.00 . B B . 307 ALA HB1 1 1 10 9060 2 2 7 ALA HB2 H -15.506 -0.246 0.566 1.00 . B B . 307 ALA HB2 1 1 10 9061 2 2 7 ALA HB3 H -15.230 0.175 -1.133 1.00 . B B . 307 ALA HB3 1 1 10 9062 2 2 7 ALA N N -12.622 -0.624 -1.121 1.00 . B B . 307 ALA N 1 1 10 9063 2 2 7 ALA O O -14.909 -2.415 -1.773 1.00 . B B . 307 ALA O 1 1 10 9064 2 2 8 ARG C C -15.686 -4.932 0.714 1.00 . B B . 308 ARG C 1 1 10 9065 2 2 8 ARG CA C -14.528 -4.677 -0.230 1.00 . B B . 308 ARG CA 1 1 10 9066 2 2 8 ARG CB C -13.423 -5.719 0.015 1.00 . B B . 308 ARG CB 1 1 10 9067 2 2 8 ARG CD C -12.364 -5.528 -2.286 1.00 . B B . 308 ARG CD 1 1 10 9068 2 2 8 ARG CG C -12.137 -5.480 -0.781 1.00 . B B . 308 ARG CG 1 1 10 9069 2 2 8 ARG CZ C -11.068 -5.041 -4.366 1.00 . B B . 308 ARG CZ 1 1 10 9070 2 2 8 ARG H H -13.506 -3.215 0.866 1.00 . B B . 308 ARG H 1 1 10 9071 2 2 8 ARG HA H -14.862 -4.728 -1.254 1.00 . B B . 308 ARG HA 1 1 10 9072 2 2 8 ARG HB2 H -13.173 -5.711 1.066 1.00 . B B . 308 ARG HB2 1 1 10 9073 2 2 8 ARG HB3 H -13.806 -6.696 -0.243 1.00 . B B . 308 ARG HB3 1 1 10 9074 2 2 8 ARG HD2 H -12.696 -6.521 -2.554 1.00 . B B . 308 ARG HD2 1 1 10 9075 2 2 8 ARG HD3 H -13.122 -4.802 -2.543 1.00 . B B . 308 ARG HD3 1 1 10 9076 2 2 8 ARG HE H -10.327 -5.104 -2.478 1.00 . B B . 308 ARG HE 1 1 10 9077 2 2 8 ARG HG2 H -11.741 -4.508 -0.525 1.00 . B B . 308 ARG HG2 1 1 10 9078 2 2 8 ARG HG3 H -11.419 -6.242 -0.516 1.00 . B B . 308 ARG HG3 1 1 10 9079 2 2 8 ARG HH11 H -13.026 -5.540 -4.747 1.00 . B B . 308 ARG HH11 1 1 10 9080 2 2 8 ARG HH12 H -12.135 -5.107 -6.113 1.00 . B B . 308 ARG HH12 1 1 10 9081 2 2 8 ARG HH21 H -9.078 -4.532 -4.414 1.00 . B B . 308 ARG HH21 1 1 10 9082 2 2 8 ARG HH22 H -9.845 -4.539 -5.931 1.00 . B B . 308 ARG HH22 1 1 10 9083 2 2 8 ARG N N -14.034 -3.357 0.044 1.00 . B B . 308 ARG N 1 1 10 9084 2 2 8 ARG NE N -11.130 -5.211 -3.035 1.00 . B B . 308 ARG NE 1 1 10 9085 2 2 8 ARG NH1 N -12.140 -5.247 -5.119 1.00 . B B . 308 ARG NH1 1 1 10 9086 2 2 8 ARG NH2 N -9.916 -4.680 -4.939 1.00 . B B . 308 ARG NH2 1 1 10 9087 2 2 8 ARG O O -15.676 -4.448 1.836 1.00 . B B . 308 ARG O 1 1 10 9088 2 2 9 LYS C C -17.877 -7.372 1.635 1.00 . B B . 309 LYS C 1 1 10 9089 2 2 9 LYS CA C -17.829 -5.917 1.154 1.00 . B B . 309 LYS CA 1 1 10 9090 2 2 9 LYS CB C -19.159 -5.513 0.505 1.00 . B B . 309 LYS CB 1 1 10 9091 2 2 9 LYS CD C -20.645 -3.673 -0.353 1.00 . B B . 309 LYS CD 1 1 10 9092 2 2 9 LYS CE C -20.751 -2.197 -0.739 1.00 . B B . 309 LYS CE 1 1 10 9093 2 2 9 LYS CG C -19.266 -4.025 0.177 1.00 . B B . 309 LYS CG 1 1 10 9094 2 2 9 LYS H H -16.651 -6.022 -0.635 1.00 . B B . 309 LYS H 1 1 10 9095 2 2 9 LYS HA H -17.664 -5.279 2.010 1.00 . B B . 309 LYS HA 1 1 10 9096 2 2 9 LYS HB2 H -19.272 -6.066 -0.416 1.00 . B B . 309 LYS HB2 1 1 10 9097 2 2 9 LYS HB3 H -19.971 -5.764 1.173 1.00 . B B . 309 LYS HB3 1 1 10 9098 2 2 9 LYS HD2 H -20.862 -4.287 -1.212 1.00 . B B . 309 LYS HD2 1 1 10 9099 2 2 9 LYS HD3 H -21.375 -3.887 0.411 1.00 . B B . 309 LYS HD3 1 1 10 9100 2 2 9 LYS HE2 H -21.753 -1.987 -1.076 1.00 . B B . 309 LYS HE2 1 1 10 9101 2 2 9 LYS HE3 H -20.539 -1.591 0.127 1.00 . B B . 309 LYS HE3 1 1 10 9102 2 2 9 LYS HG2 H -19.084 -3.452 1.075 1.00 . B B . 309 LYS HG2 1 1 10 9103 2 2 9 LYS HG3 H -18.518 -3.769 -0.558 1.00 . B B . 309 LYS HG3 1 1 10 9104 2 2 9 LYS HZ1 H -18.819 -1.949 -1.531 1.00 . B B . 309 LYS HZ1 1 1 10 9105 2 2 9 LYS HZ2 H -19.951 -0.834 -2.072 1.00 . B B . 309 LYS HZ2 1 1 10 9106 2 2 9 LYS HZ3 H -19.978 -2.400 -2.685 1.00 . B B . 309 LYS HZ3 1 1 10 9107 2 2 9 LYS N N -16.684 -5.653 0.276 1.00 . B B . 309 LYS N 1 1 10 9108 2 2 9 LYS NZ N -19.809 -1.836 -1.828 1.00 . B B . 309 LYS NZ 1 1 10 9109 3 3 1 ZN ZN ZN 9.481 -0.165 -5.130 1.00 . C A . 53 ZN ZN 1 1 10 9110 4 3 1 ZN ZN ZN 0.393 -5.739 1.093 1.00 . D A . 54 ZN ZN 1 1 11 9111 1 1 1 SER C C -4.936 -8.447 -1.637 1.00 . A A . 1 SER C 1 1 11 9112 1 1 1 SER CA C -6.339 -8.518 -2.274 1.00 . A A . 1 SER CA 1 1 11 9113 1 1 1 SER CB C -7.178 -9.653 -1.646 1.00 . A A . 1 SER CB 1 1 11 9114 1 1 1 SER HA H -6.830 -7.571 -2.096 1.00 . A A . 1 SER HA 1 1 11 9115 1 1 1 SER HB2 H -7.177 -9.546 -0.573 1.00 . A A . 1 SER HB2 1 1 11 9116 1 1 1 SER HB3 H -8.192 -9.597 -2.009 1.00 . A A . 1 SER HB3 1 1 11 9117 1 1 1 SER HG H -6.787 -11.097 -2.914 1.00 . A A . 1 SER HG 1 1 11 9118 1 1 1 SER N N -6.253 -8.714 -3.751 1.00 . A A . 1 SER N 1 1 11 9119 1 1 1 SER O O -4.743 -7.890 -0.525 1.00 . A A . 1 SER O 1 1 11 9120 1 1 1 SER OG O -6.646 -10.936 -1.971 1.00 . A A . 1 SER OG 1 1 11 9121 1 1 2 VAL C C -1.819 -8.039 -2.793 1.00 . A A . 2 VAL C 1 1 11 9122 1 1 2 VAL CA C -2.604 -9.016 -1.929 1.00 . A A . 2 VAL CA 1 1 11 9123 1 1 2 VAL CB C -1.991 -10.435 -2.084 1.00 . A A . 2 VAL CB 1 1 11 9124 1 1 2 VAL CG1 C -0.584 -10.504 -1.490 1.00 . A A . 2 VAL CG1 1 1 11 9125 1 1 2 VAL CG2 C -2.886 -11.505 -1.482 1.00 . A A . 2 VAL CG2 1 1 11 9126 1 1 2 VAL H H -4.194 -9.325 -3.243 1.00 . A A . 2 VAL H 1 1 11 9127 1 1 2 VAL HA H -2.580 -8.716 -0.891 1.00 . A A . 2 VAL HA 1 1 11 9128 1 1 2 VAL HB H -1.901 -10.615 -3.144 1.00 . A A . 2 VAL HB 1 1 11 9129 1 1 2 VAL HG11 H -0.607 -10.241 -0.441 1.00 . A A . 2 VAL HG11 1 1 11 9130 1 1 2 VAL HG12 H 0.073 -9.830 -2.019 1.00 . A A . 2 VAL HG12 1 1 11 9131 1 1 2 VAL HG13 H -0.215 -11.512 -1.597 1.00 . A A . 2 VAL HG13 1 1 11 9132 1 1 2 VAL HG21 H -3.849 -11.471 -1.973 1.00 . A A . 2 VAL HG21 1 1 11 9133 1 1 2 VAL HG22 H -3.011 -11.313 -0.426 1.00 . A A . 2 VAL HG22 1 1 11 9134 1 1 2 VAL HG23 H -2.435 -12.477 -1.632 1.00 . A A . 2 VAL HG23 1 1 11 9135 1 1 2 VAL N N -3.970 -8.974 -2.358 1.00 . A A . 2 VAL N 1 1 11 9136 1 1 2 VAL O O -2.089 -7.901 -3.980 1.00 . A A . 2 VAL O 1 1 11 9137 1 1 3 CYS C C 1.261 -6.931 -3.133 1.00 . A A . 3 CYS C 1 1 11 9138 1 1 3 CYS CA C -0.123 -6.344 -2.854 1.00 . A A . 3 CYS CA 1 1 11 9139 1 1 3 CYS CB C 0.045 -5.185 -1.935 1.00 . A A . 3 CYS CB 1 1 11 9140 1 1 3 CYS H H -0.664 -7.557 -1.270 1.00 . A A . 3 CYS H 1 1 11 9141 1 1 3 CYS HA H -0.611 -6.036 -3.766 1.00 . A A . 3 CYS HA 1 1 11 9142 1 1 3 CYS HB2 H 0.222 -4.293 -2.516 1.00 . A A . 3 CYS HB2 1 1 11 9143 1 1 3 CYS HB3 H -0.855 -5.058 -1.357 1.00 . A A . 3 CYS HB3 1 1 11 9144 1 1 3 CYS N N -0.899 -7.368 -2.195 1.00 . A A . 3 CYS N 1 1 11 9145 1 1 3 CYS O O 1.532 -8.068 -2.732 1.00 . A A . 3 CYS O 1 1 11 9146 1 1 3 CYS SG S 1.391 -5.417 -0.790 1.00 . A A . 3 CYS SG 1 1 11 9147 1 1 4 ALA C C 4.495 -6.235 -3.036 1.00 . A A . 4 ALA C 1 1 11 9148 1 1 4 ALA CA C 3.436 -6.780 -3.998 1.00 . A A . 4 ALA CA 1 1 11 9149 1 1 4 ALA CB C 3.876 -6.566 -5.401 1.00 . A A . 4 ALA CB 1 1 11 9150 1 1 4 ALA H H 1.786 -5.293 -3.967 1.00 . A A . 4 ALA H 1 1 11 9151 1 1 4 ALA HA H 3.339 -7.844 -3.840 1.00 . A A . 4 ALA HA 1 1 11 9152 1 1 4 ALA HB1 H 4.798 -7.100 -5.562 1.00 . A A . 4 ALA HB1 1 1 11 9153 1 1 4 ALA HB2 H 4.023 -5.502 -5.515 1.00 . A A . 4 ALA HB2 1 1 11 9154 1 1 4 ALA HB3 H 3.100 -6.915 -6.064 1.00 . A A . 4 ALA HB3 1 1 11 9155 1 1 4 ALA N N 2.141 -6.194 -3.788 1.00 . A A . 4 ALA N 1 1 11 9156 1 1 4 ALA O O 5.345 -5.447 -3.409 1.00 . A A . 4 ALA O 1 1 11 9157 1 1 5 ALA C C 5.977 -7.845 -0.375 1.00 . A A . 5 ALA C 1 1 11 9158 1 1 5 ALA CA C 5.451 -6.471 -0.819 1.00 . A A . 5 ALA CA 1 1 11 9159 1 1 5 ALA CB C 5.031 -5.625 0.390 1.00 . A A . 5 ALA CB 1 1 11 9160 1 1 5 ALA H H 3.417 -6.545 -1.511 1.00 . A A . 5 ALA H 1 1 11 9161 1 1 5 ALA HA H 6.242 -5.937 -1.329 1.00 . A A . 5 ALA HA 1 1 11 9162 1 1 5 ALA HB1 H 4.266 -6.113 0.975 1.00 . A A . 5 ALA HB1 1 1 11 9163 1 1 5 ALA HB2 H 4.645 -4.677 0.046 1.00 . A A . 5 ALA HB2 1 1 11 9164 1 1 5 ALA HB3 H 5.887 -5.432 1.017 1.00 . A A . 5 ALA HB3 1 1 11 9165 1 1 5 ALA N N 4.352 -6.587 -1.767 1.00 . A A . 5 ALA N 1 1 11 9166 1 1 5 ALA O O 5.199 -8.778 -0.148 1.00 . A A . 5 ALA O 1 1 11 9167 1 1 6 GLN C C 7.431 -9.901 1.342 1.00 . A A . 6 GLN C 1 1 11 9168 1 1 6 GLN CA C 8.060 -9.149 0.136 1.00 . A A . 6 GLN CA 1 1 11 9169 1 1 6 GLN CB C 9.508 -8.761 0.473 1.00 . A A . 6 GLN CB 1 1 11 9170 1 1 6 GLN CD C 11.801 -9.479 1.275 1.00 . A A . 6 GLN CD 1 1 11 9171 1 1 6 GLN CG C 10.412 -9.932 0.846 1.00 . A A . 6 GLN CG 1 1 11 9172 1 1 6 GLN H H 7.794 -7.135 -0.556 1.00 . A A . 6 GLN H 1 1 11 9173 1 1 6 GLN HA H 8.083 -9.823 -0.706 1.00 . A A . 6 GLN HA 1 1 11 9174 1 1 6 GLN HB2 H 9.943 -8.271 -0.385 1.00 . A A . 6 GLN HB2 1 1 11 9175 1 1 6 GLN HB3 H 9.500 -8.062 1.296 1.00 . A A . 6 GLN HB3 1 1 11 9176 1 1 6 GLN HE21 H 12.468 -9.569 -0.592 1.00 . A A . 6 GLN HE21 1 1 11 9177 1 1 6 GLN HE22 H 13.609 -9.080 0.593 1.00 . A A . 6 GLN HE22 1 1 11 9178 1 1 6 GLN HG2 H 9.961 -10.496 1.646 1.00 . A A . 6 GLN HG2 1 1 11 9179 1 1 6 GLN HG3 H 10.516 -10.564 -0.023 1.00 . A A . 6 GLN HG3 1 1 11 9180 1 1 6 GLN N N 7.309 -7.934 -0.259 1.00 . A A . 6 GLN N 1 1 11 9181 1 1 6 GLN NE2 N 12.704 -9.366 0.336 1.00 . A A . 6 GLN NE2 1 1 11 9182 1 1 6 GLN O O 7.226 -11.116 1.283 1.00 . A A . 6 GLN O 1 1 11 9183 1 1 6 GLN OE1 O 12.052 -9.239 2.460 1.00 . A A . 6 GLN OE1 1 1 11 9184 1 1 7 ASN C C 5.204 -9.233 3.926 1.00 . A A . 7 ASN C 1 1 11 9185 1 1 7 ASN CA C 6.562 -9.856 3.596 1.00 . A A . 7 ASN CA 1 1 11 9186 1 1 7 ASN CB C 7.531 -9.788 4.805 1.00 . A A . 7 ASN CB 1 1 11 9187 1 1 7 ASN CG C 7.086 -10.621 6.001 1.00 . A A . 7 ASN CG 1 1 11 9188 1 1 7 ASN H H 7.325 -8.243 2.384 1.00 . A A . 7 ASN H 1 1 11 9189 1 1 7 ASN HA H 6.380 -10.889 3.336 1.00 . A A . 7 ASN HA 1 1 11 9190 1 1 7 ASN HB2 H 8.503 -10.138 4.500 1.00 . A A . 7 ASN HB2 1 1 11 9191 1 1 7 ASN HB3 H 7.624 -8.760 5.123 1.00 . A A . 7 ASN HB3 1 1 11 9192 1 1 7 ASN HD21 H 6.067 -9.096 6.769 1.00 . A A . 7 ASN HD21 1 1 11 9193 1 1 7 ASN HD22 H 6.040 -10.553 7.680 1.00 . A A . 7 ASN HD22 1 1 11 9194 1 1 7 ASN N N 7.140 -9.202 2.407 1.00 . A A . 7 ASN N 1 1 11 9195 1 1 7 ASN ND2 N 6.325 -10.035 6.900 1.00 . A A . 7 ASN ND2 1 1 11 9196 1 1 7 ASN O O 5.064 -8.432 4.848 1.00 . A A . 7 ASN O 1 1 11 9197 1 1 7 ASN OD1 O 7.441 -11.793 6.114 1.00 . A A . 7 ASN OD1 1 1 11 9198 1 1 8 CYS C C 1.891 -9.947 3.844 1.00 . A A . 8 CYS C 1 1 11 9199 1 1 8 CYS CA C 2.922 -8.982 3.192 1.00 . A A . 8 CYS CA 1 1 11 9200 1 1 8 CYS CB C 2.421 -8.449 1.847 1.00 . A A . 8 CYS CB 1 1 11 9201 1 1 8 CYS H H 4.414 -10.100 2.308 1.00 . A A . 8 CYS H 1 1 11 9202 1 1 8 CYS HA H 3.008 -8.134 3.856 1.00 . A A . 8 CYS HA 1 1 11 9203 1 1 8 CYS HB2 H 3.028 -7.617 1.530 1.00 . A A . 8 CYS HB2 1 1 11 9204 1 1 8 CYS HB3 H 2.476 -9.229 1.104 1.00 . A A . 8 CYS HB3 1 1 11 9205 1 1 8 CYS N N 4.252 -9.509 3.073 1.00 . A A . 8 CYS N 1 1 11 9206 1 1 8 CYS O O 2.043 -11.185 3.819 1.00 . A A . 8 CYS O 1 1 11 9207 1 1 8 CYS SG S 0.726 -7.876 1.906 1.00 . A A . 8 CYS SG 1 1 11 9208 1 1 9 GLN C C -1.539 -9.555 4.118 1.00 . A A . 9 GLN C 1 1 11 9209 1 1 9 GLN CA C -0.307 -10.030 4.935 1.00 . A A . 9 GLN CA 1 1 11 9210 1 1 9 GLN CB C -0.543 -9.806 6.438 1.00 . A A . 9 GLN CB 1 1 11 9211 1 1 9 GLN CD C -1.134 -8.246 8.317 1.00 . A A . 9 GLN CD 1 1 11 9212 1 1 9 GLN CG C -0.861 -8.375 6.837 1.00 . A A . 9 GLN CG 1 1 11 9213 1 1 9 GLN H H 1.029 -8.374 4.365 1.00 . A A . 9 GLN H 1 1 11 9214 1 1 9 GLN HA H -0.166 -11.084 4.726 1.00 . A A . 9 GLN HA 1 1 11 9215 1 1 9 GLN HB2 H -1.358 -10.436 6.762 1.00 . A A . 9 GLN HB2 1 1 11 9216 1 1 9 GLN HB3 H 0.340 -10.121 6.971 1.00 . A A . 9 GLN HB3 1 1 11 9217 1 1 9 GLN HE21 H 0.779 -7.920 8.670 1.00 . A A . 9 GLN HE21 1 1 11 9218 1 1 9 GLN HE22 H -0.233 -7.931 10.047 1.00 . A A . 9 GLN HE22 1 1 11 9219 1 1 9 GLN HG2 H -0.030 -7.739 6.576 1.00 . A A . 9 GLN HG2 1 1 11 9220 1 1 9 GLN HG3 H -1.740 -8.057 6.296 1.00 . A A . 9 GLN HG3 1 1 11 9221 1 1 9 GLN N N 0.863 -9.336 4.430 1.00 . A A . 9 GLN N 1 1 11 9222 1 1 9 GLN NE2 N -0.105 -8.006 9.078 1.00 . A A . 9 GLN NE2 1 1 11 9223 1 1 9 GLN O O -1.616 -8.373 3.722 1.00 . A A . 9 GLN O 1 1 11 9224 1 1 9 GLN OE1 O -2.277 -8.373 8.774 1.00 . A A . 9 GLN OE1 1 1 11 9225 1 1 10 ARG C C -4.795 -9.816 4.076 1.00 . A A . 10 ARG C 1 1 11 9226 1 1 10 ARG CA C -3.661 -10.221 3.095 1.00 . A A . 10 ARG CA 1 1 11 9227 1 1 10 ARG CB C -4.076 -11.529 2.395 1.00 . A A . 10 ARG CB 1 1 11 9228 1 1 10 ARG CD C -5.857 -12.744 1.073 1.00 . A A . 10 ARG CD 1 1 11 9229 1 1 10 ARG CG C -5.247 -11.389 1.439 1.00 . A A . 10 ARG CG 1 1 11 9230 1 1 10 ARG CZ C -5.190 -15.010 0.295 1.00 . A A . 10 ARG CZ 1 1 11 9231 1 1 10 ARG H H -2.390 -11.358 4.212 1.00 . A A . 10 ARG H 1 1 11 9232 1 1 10 ARG HA H -3.482 -9.457 2.354 1.00 . A A . 10 ARG HA 1 1 11 9233 1 1 10 ARG HB2 H -3.226 -11.901 1.842 1.00 . A A . 10 ARG HB2 1 1 11 9234 1 1 10 ARG HB3 H -4.337 -12.253 3.155 1.00 . A A . 10 ARG HB3 1 1 11 9235 1 1 10 ARG HD2 H -6.254 -13.180 1.977 1.00 . A A . 10 ARG HD2 1 1 11 9236 1 1 10 ARG HD3 H -6.664 -12.565 0.379 1.00 . A A . 10 ARG HD3 1 1 11 9237 1 1 10 ARG HE H -4.036 -13.338 0.222 1.00 . A A . 10 ARG HE 1 1 11 9238 1 1 10 ARG HG2 H -6.009 -10.794 1.916 1.00 . A A . 10 ARG HG2 1 1 11 9239 1 1 10 ARG HG3 H -4.924 -10.899 0.531 1.00 . A A . 10 ARG HG3 1 1 11 9240 1 1 10 ARG HH11 H -7.120 -14.888 0.962 1.00 . A A . 10 ARG HH11 1 1 11 9241 1 1 10 ARG HH12 H -6.634 -16.448 0.484 1.00 . A A . 10 ARG HH12 1 1 11 9242 1 1 10 ARG HH21 H -3.351 -15.572 -0.488 1.00 . A A . 10 ARG HH21 1 1 11 9243 1 1 10 ARG HH22 H -4.455 -16.814 -0.371 1.00 . A A . 10 ARG HH22 1 1 11 9244 1 1 10 ARG N N -2.458 -10.463 3.860 1.00 . A A . 10 ARG N 1 1 11 9245 1 1 10 ARG NE N -4.912 -13.701 0.477 1.00 . A A . 10 ARG NE 1 1 11 9246 1 1 10 ARG NH1 N -6.398 -15.478 0.596 1.00 . A A . 10 ARG NH1 1 1 11 9247 1 1 10 ARG NH2 N -4.279 -15.837 -0.218 1.00 . A A . 10 ARG NH2 1 1 11 9248 1 1 10 ARG O O -5.310 -10.658 4.809 1.00 . A A . 10 ARG O 1 1 11 9249 1 1 11 PRO C C -7.621 -8.475 4.638 1.00 . A A . 11 PRO C 1 1 11 9250 1 1 11 PRO CA C -6.195 -8.061 5.045 1.00 . A A . 11 PRO CA 1 1 11 9251 1 1 11 PRO CB C -6.066 -6.527 5.009 1.00 . A A . 11 PRO CB 1 1 11 9252 1 1 11 PRO CD C -4.578 -7.477 3.327 1.00 . A A . 11 PRO CD 1 1 11 9253 1 1 11 PRO CG C -4.936 -6.214 4.065 1.00 . A A . 11 PRO CG 1 1 11 9254 1 1 11 PRO HA H -6.010 -8.410 6.052 1.00 . A A . 11 PRO HA 1 1 11 9255 1 1 11 PRO HB2 H -6.993 -6.102 4.654 1.00 . A A . 11 PRO HB2 1 1 11 9256 1 1 11 PRO HB3 H -5.867 -6.153 6.004 1.00 . A A . 11 PRO HB3 1 1 11 9257 1 1 11 PRO HD2 H -4.922 -7.524 2.305 1.00 . A A . 11 PRO HD2 1 1 11 9258 1 1 11 PRO HD3 H -3.503 -7.586 3.332 1.00 . A A . 11 PRO HD3 1 1 11 9259 1 1 11 PRO HG2 H -5.240 -5.451 3.364 1.00 . A A . 11 PRO HG2 1 1 11 9260 1 1 11 PRO HG3 H -4.085 -5.862 4.629 1.00 . A A . 11 PRO HG3 1 1 11 9261 1 1 11 PRO N N -5.161 -8.540 4.126 1.00 . A A . 11 PRO N 1 1 11 9262 1 1 11 PRO O O -8.298 -9.177 5.380 1.00 . A A . 11 PRO O 1 1 11 9263 1 1 12 CYS C C -10.547 -7.749 3.801 1.00 . A A . 12 CYS C 1 1 11 9264 1 1 12 CYS CA C -9.414 -8.276 2.908 1.00 . A A . 12 CYS CA 1 1 11 9265 1 1 12 CYS CB C -9.617 -9.771 2.645 1.00 . A A . 12 CYS CB 1 1 11 9266 1 1 12 CYS H H -7.458 -7.450 2.932 1.00 . A A . 12 CYS H 1 1 11 9267 1 1 12 CYS HA H -9.446 -7.747 1.965 1.00 . A A . 12 CYS HA 1 1 11 9268 1 1 12 CYS HB2 H -9.504 -10.307 3.579 1.00 . A A . 12 CYS HB2 1 1 11 9269 1 1 12 CYS HB3 H -10.626 -9.916 2.283 1.00 . A A . 12 CYS HB3 1 1 11 9270 1 1 12 CYS HG H -8.838 -11.749 1.287 1.00 . A A . 12 CYS HG 1 1 11 9271 1 1 12 CYS N N -8.064 -8.000 3.462 1.00 . A A . 12 CYS N 1 1 11 9272 1 1 12 CYS O O -11.691 -8.214 3.711 1.00 . A A . 12 CYS O 1 1 11 9273 1 1 12 CYS SG S -8.479 -10.481 1.448 1.00 . A A . 12 CYS SG 1 1 11 9274 1 1 13 LYS C C -12.156 -5.258 4.596 1.00 . A A . 13 LYS C 1 1 11 9275 1 1 13 LYS CA C -11.252 -6.155 5.475 1.00 . A A . 13 LYS CA 1 1 11 9276 1 1 13 LYS CB C -10.580 -5.355 6.599 1.00 . A A . 13 LYS CB 1 1 11 9277 1 1 13 LYS CD C -9.129 -5.337 8.579 1.00 . A A . 13 LYS CD 1 1 11 9278 1 1 13 LYS CE C -8.009 -6.034 9.280 1.00 . A A . 13 LYS CE 1 1 11 9279 1 1 13 LYS CG C -9.595 -6.145 7.391 1.00 . A A . 13 LYS CG 1 1 11 9280 1 1 13 LYS H H -9.323 -6.450 4.657 1.00 . A A . 13 LYS H 1 1 11 9281 1 1 13 LYS HA H -11.854 -6.947 5.895 1.00 . A A . 13 LYS HA 1 1 11 9282 1 1 13 LYS HB2 H -10.043 -4.518 6.188 1.00 . A A . 13 LYS HB2 1 1 11 9283 1 1 13 LYS HB3 H -11.249 -4.961 7.344 1.00 . A A . 13 LYS HB3 1 1 11 9284 1 1 13 LYS HD2 H -8.781 -4.372 8.237 1.00 . A A . 13 LYS HD2 1 1 11 9285 1 1 13 LYS HD3 H -9.954 -5.200 9.262 1.00 . A A . 13 LYS HD3 1 1 11 9286 1 1 13 LYS HE2 H -7.406 -6.192 8.405 1.00 . A A . 13 LYS HE2 1 1 11 9287 1 1 13 LYS HE3 H -7.514 -5.398 9.996 1.00 . A A . 13 LYS HE3 1 1 11 9288 1 1 13 LYS HG2 H -10.051 -7.063 7.737 1.00 . A A . 13 LYS HG2 1 1 11 9289 1 1 13 LYS HG3 H -8.740 -6.383 6.777 1.00 . A A . 13 LYS HG3 1 1 11 9290 1 1 13 LYS HZ1 H -8.592 -8.077 9.113 1.00 . A A . 13 LYS HZ1 1 1 11 9291 1 1 13 LYS HZ2 H -9.194 -7.304 10.486 1.00 . A A . 13 LYS HZ2 1 1 11 9292 1 1 13 LYS HZ3 H -7.590 -7.758 10.387 1.00 . A A . 13 LYS HZ3 1 1 11 9293 1 1 13 LYS N N -10.244 -6.768 4.624 1.00 . A A . 13 LYS N 1 1 11 9294 1 1 13 LYS NZ N -8.382 -7.363 9.839 1.00 . A A . 13 LYS NZ 1 1 11 9295 1 1 13 LYS O O -11.971 -5.226 3.376 1.00 . A A . 13 LYS O 1 1 11 9296 1 1 14 ASP C C -13.290 -2.711 3.526 1.00 . A A . 14 ASP C 1 1 11 9297 1 1 14 ASP CA C -14.038 -3.685 4.415 1.00 . A A . 14 ASP CA 1 1 11 9298 1 1 14 ASP CB C -15.043 -2.949 5.303 1.00 . A A . 14 ASP CB 1 1 11 9299 1 1 14 ASP CG C -15.867 -1.921 4.520 1.00 . A A . 14 ASP CG 1 1 11 9300 1 1 14 ASP H H -13.200 -4.582 6.170 1.00 . A A . 14 ASP H 1 1 11 9301 1 1 14 ASP HA H -14.579 -4.346 3.754 1.00 . A A . 14 ASP HA 1 1 11 9302 1 1 14 ASP HB2 H -15.711 -3.662 5.767 1.00 . A A . 14 ASP HB2 1 1 11 9303 1 1 14 ASP HB3 H -14.496 -2.426 6.073 1.00 . A A . 14 ASP HB3 1 1 11 9304 1 1 14 ASP N N -13.113 -4.549 5.197 1.00 . A A . 14 ASP N 1 1 11 9305 1 1 14 ASP O O -13.310 -2.847 2.318 1.00 . A A . 14 ASP O 1 1 11 9306 1 1 14 ASP OD1 O -16.575 -2.297 3.553 1.00 . A A . 14 ASP OD1 1 1 11 9307 1 1 14 ASP OD2 O -15.787 -0.725 4.858 1.00 . A A . 14 ASP OD2 1 1 11 9308 1 1 15 LYS C C -10.385 -0.930 3.903 1.00 . A A . 15 LYS C 1 1 11 9309 1 1 15 LYS CA C -11.799 -0.848 3.380 1.00 . A A . 15 LYS CA 1 1 11 9310 1 1 15 LYS CB C -12.351 0.583 3.392 1.00 . A A . 15 LYS CB 1 1 11 9311 1 1 15 LYS CD C -14.182 2.145 2.560 1.00 . A A . 15 LYS CD 1 1 11 9312 1 1 15 LYS CE C -14.729 2.569 3.904 1.00 . A A . 15 LYS CE 1 1 11 9313 1 1 15 LYS CG C -13.639 0.723 2.585 1.00 . A A . 15 LYS CG 1 1 11 9314 1 1 15 LYS H H -12.704 -1.631 5.087 1.00 . A A . 15 LYS H 1 1 11 9315 1 1 15 LYS HA H -11.796 -1.218 2.366 1.00 . A A . 15 LYS HA 1 1 11 9316 1 1 15 LYS HB2 H -12.566 0.850 4.415 1.00 . A A . 15 LYS HB2 1 1 11 9317 1 1 15 LYS HB3 H -11.610 1.253 2.979 1.00 . A A . 15 LYS HB3 1 1 11 9318 1 1 15 LYS HD2 H -13.398 2.833 2.287 1.00 . A A . 15 LYS HD2 1 1 11 9319 1 1 15 LYS HD3 H -14.980 2.185 1.833 1.00 . A A . 15 LYS HD3 1 1 11 9320 1 1 15 LYS HE2 H -13.953 2.301 4.602 1.00 . A A . 15 LYS HE2 1 1 11 9321 1 1 15 LYS HE3 H -14.923 3.632 3.920 1.00 . A A . 15 LYS HE3 1 1 11 9322 1 1 15 LYS HG2 H -13.437 0.413 1.573 1.00 . A A . 15 LYS HG2 1 1 11 9323 1 1 15 LYS HG3 H -14.388 0.068 3.008 1.00 . A A . 15 LYS HG3 1 1 11 9324 1 1 15 LYS HZ1 H -16.713 1.887 3.611 1.00 . A A . 15 LYS HZ1 1 1 11 9325 1 1 15 LYS HZ2 H -16.304 2.133 5.209 1.00 . A A . 15 LYS HZ2 1 1 11 9326 1 1 15 LYS HZ3 H -15.757 0.779 4.406 1.00 . A A . 15 LYS HZ3 1 1 11 9327 1 1 15 LYS N N -12.636 -1.753 4.119 1.00 . A A . 15 LYS N 1 1 11 9328 1 1 15 LYS NZ N -15.936 1.804 4.295 1.00 . A A . 15 LYS NZ 1 1 11 9329 1 1 15 LYS O O -10.164 -0.866 5.104 1.00 . A A . 15 LYS O 1 1 11 9330 1 1 16 VAL C C -7.156 -0.380 2.586 1.00 . A A . 16 VAL C 1 1 11 9331 1 1 16 VAL CA C -8.041 -1.308 3.380 1.00 . A A . 16 VAL CA 1 1 11 9332 1 1 16 VAL CB C -7.603 -2.811 3.194 1.00 . A A . 16 VAL CB 1 1 11 9333 1 1 16 VAL CG1 C -8.440 -3.717 4.072 1.00 . A A . 16 VAL CG1 1 1 11 9334 1 1 16 VAL CG2 C -7.702 -3.276 1.735 1.00 . A A . 16 VAL CG2 1 1 11 9335 1 1 16 VAL H H -9.639 -1.023 2.045 1.00 . A A . 16 VAL H 1 1 11 9336 1 1 16 VAL HA H -7.948 -1.040 4.423 1.00 . A A . 16 VAL HA 1 1 11 9337 1 1 16 VAL HB H -6.578 -2.906 3.520 1.00 . A A . 16 VAL HB 1 1 11 9338 1 1 16 VAL HG11 H -8.259 -3.490 5.111 1.00 . A A . 16 VAL HG11 1 1 11 9339 1 1 16 VAL HG12 H -8.212 -4.754 3.872 1.00 . A A . 16 VAL HG12 1 1 11 9340 1 1 16 VAL HG13 H -9.483 -3.539 3.854 1.00 . A A . 16 VAL HG13 1 1 11 9341 1 1 16 VAL HG21 H -7.497 -4.336 1.661 1.00 . A A . 16 VAL HG21 1 1 11 9342 1 1 16 VAL HG22 H -7.007 -2.716 1.126 1.00 . A A . 16 VAL HG22 1 1 11 9343 1 1 16 VAL HG23 H -8.708 -3.099 1.381 1.00 . A A . 16 VAL HG23 1 1 11 9344 1 1 16 VAL N N -9.434 -1.089 3.002 1.00 . A A . 16 VAL N 1 1 11 9345 1 1 16 VAL O O -7.495 -0.025 1.454 1.00 . A A . 16 VAL O 1 1 11 9346 1 1 17 ASP C C -4.117 0.469 1.707 1.00 . A A . 17 ASP C 1 1 11 9347 1 1 17 ASP CA C -5.193 1.048 2.591 1.00 . A A . 17 ASP CA 1 1 11 9348 1 1 17 ASP CB C -4.511 1.854 3.706 1.00 . A A . 17 ASP CB 1 1 11 9349 1 1 17 ASP CG C -5.474 2.350 4.752 1.00 . A A . 17 ASP CG 1 1 11 9350 1 1 17 ASP H H -5.714 -0.325 4.020 1.00 . A A . 17 ASP H 1 1 11 9351 1 1 17 ASP HA H -5.812 1.724 2.025 1.00 . A A . 17 ASP HA 1 1 11 9352 1 1 17 ASP HB2 H -3.774 1.230 4.188 1.00 . A A . 17 ASP HB2 1 1 11 9353 1 1 17 ASP HB3 H -4.029 2.710 3.252 1.00 . A A . 17 ASP HB3 1 1 11 9354 1 1 17 ASP N N -6.050 0.010 3.166 1.00 . A A . 17 ASP N 1 1 11 9355 1 1 17 ASP O O -3.531 -0.603 2.008 1.00 . A A . 17 ASP O 1 1 11 9356 1 1 17 ASP OD1 O -6.107 3.391 4.551 1.00 . A A . 17 ASP OD1 1 1 11 9357 1 1 17 ASP OD2 O -5.606 1.675 5.804 1.00 . A A . 17 ASP OD2 1 1 11 9358 1 1 18 TRP C C -1.894 1.983 -0.594 1.00 . A A . 18 TRP C 1 1 11 9359 1 1 18 TRP CA C -2.827 0.803 -0.333 1.00 . A A . 18 TRP CA 1 1 11 9360 1 1 18 TRP CB C -3.468 0.443 -1.660 1.00 . A A . 18 TRP CB 1 1 11 9361 1 1 18 TRP CD1 C -5.693 -0.666 -0.982 1.00 . A A . 18 TRP CD1 1 1 11 9362 1 1 18 TRP CD2 C -4.477 -1.850 -2.402 1.00 . A A . 18 TRP CD2 1 1 11 9363 1 1 18 TRP CE2 C -5.643 -2.560 -2.114 1.00 . A A . 18 TRP CE2 1 1 11 9364 1 1 18 TRP CE3 C -3.579 -2.387 -3.283 1.00 . A A . 18 TRP CE3 1 1 11 9365 1 1 18 TRP CG C -4.506 -0.655 -1.644 1.00 . A A . 18 TRP CG 1 1 11 9366 1 1 18 TRP CH2 C -5.014 -4.295 -3.560 1.00 . A A . 18 TRP CH2 1 1 11 9367 1 1 18 TRP CZ2 C -5.923 -3.794 -2.677 1.00 . A A . 18 TRP CZ2 1 1 11 9368 1 1 18 TRP CZ3 C -3.849 -3.605 -3.863 1.00 . A A . 18 TRP CZ3 1 1 11 9369 1 1 18 TRP H H -4.397 1.993 0.566 1.00 . A A . 18 TRP H 1 1 11 9370 1 1 18 TRP HA H -2.277 -0.044 0.042 1.00 . A A . 18 TRP HA 1 1 11 9371 1 1 18 TRP HB2 H -3.934 1.348 -2.001 1.00 . A A . 18 TRP HB2 1 1 11 9372 1 1 18 TRP HB3 H -2.710 0.186 -2.386 1.00 . A A . 18 TRP HB3 1 1 11 9373 1 1 18 TRP HD1 H -6.020 0.128 -0.329 1.00 . A A . 18 TRP HD1 1 1 11 9374 1 1 18 TRP HE1 H -7.231 -2.105 -0.870 1.00 . A A . 18 TRP HE1 1 1 11 9375 1 1 18 TRP HE3 H -2.687 -1.840 -3.511 1.00 . A A . 18 TRP HE3 1 1 11 9376 1 1 18 TRP HH2 H -5.166 -5.232 -4.065 1.00 . A A . 18 TRP HH2 1 1 11 9377 1 1 18 TRP HZ2 H -6.834 -4.318 -2.428 1.00 . A A . 18 TRP HZ2 1 1 11 9378 1 1 18 TRP HZ3 H -3.154 -4.039 -4.564 1.00 . A A . 18 TRP HZ3 1 1 11 9379 1 1 18 TRP N N -3.839 1.183 0.638 1.00 . A A . 18 TRP N 1 1 11 9380 1 1 18 TRP NE1 N -6.358 -1.827 -1.231 1.00 . A A . 18 TRP NE1 1 1 11 9381 1 1 18 TRP O O -2.261 3.150 -0.332 1.00 . A A . 18 TRP O 1 1 11 9382 1 1 19 VAL C C 0.883 2.325 -2.809 1.00 . A A . 19 VAL C 1 1 11 9383 1 1 19 VAL CA C 0.300 2.689 -1.453 1.00 . A A . 19 VAL CA 1 1 11 9384 1 1 19 VAL CB C 1.523 2.601 -0.514 1.00 . A A . 19 VAL CB 1 1 11 9385 1 1 19 VAL CG1 C 2.382 3.856 -0.549 1.00 . A A . 19 VAL CG1 1 1 11 9386 1 1 19 VAL CG2 C 1.216 2.149 0.873 1.00 . A A . 19 VAL CG2 1 1 11 9387 1 1 19 VAL H H -0.411 0.800 -1.427 1.00 . A A . 19 VAL H 1 1 11 9388 1 1 19 VAL HA H -0.106 3.689 -1.445 1.00 . A A . 19 VAL HA 1 1 11 9389 1 1 19 VAL HB H 2.122 1.850 -0.999 1.00 . A A . 19 VAL HB 1 1 11 9390 1 1 19 VAL HG11 H 1.782 4.696 -0.230 1.00 . A A . 19 VAL HG11 1 1 11 9391 1 1 19 VAL HG12 H 2.728 4.017 -1.559 1.00 . A A . 19 VAL HG12 1 1 11 9392 1 1 19 VAL HG13 H 3.226 3.738 0.117 1.00 . A A . 19 VAL HG13 1 1 11 9393 1 1 19 VAL HG21 H 0.570 2.855 1.376 1.00 . A A . 19 VAL HG21 1 1 11 9394 1 1 19 VAL HG22 H 2.164 2.080 1.386 1.00 . A A . 19 VAL HG22 1 1 11 9395 1 1 19 VAL HG23 H 0.757 1.174 0.830 1.00 . A A . 19 VAL HG23 1 1 11 9396 1 1 19 VAL N N -0.714 1.691 -1.145 1.00 . A A . 19 VAL N 1 1 11 9397 1 1 19 VAL O O 1.027 1.149 -3.111 1.00 . A A . 19 VAL O 1 1 11 9398 1 1 20 GLN C C 3.328 3.531 -4.604 1.00 . A A . 20 GLN C 1 1 11 9399 1 1 20 GLN CA C 1.885 3.095 -4.826 1.00 . A A . 20 GLN CA 1 1 11 9400 1 1 20 GLN CB C 1.257 3.948 -5.912 1.00 . A A . 20 GLN CB 1 1 11 9401 1 1 20 GLN CD C 1.893 2.492 -7.903 1.00 . A A . 20 GLN CD 1 1 11 9402 1 1 20 GLN CG C 0.806 3.217 -7.164 1.00 . A A . 20 GLN CG 1 1 11 9403 1 1 20 GLN H H 0.834 4.164 -3.299 1.00 . A A . 20 GLN H 1 1 11 9404 1 1 20 GLN HA H 1.848 2.053 -5.104 1.00 . A A . 20 GLN HA 1 1 11 9405 1 1 20 GLN HB2 H 0.381 4.419 -5.491 1.00 . A A . 20 GLN HB2 1 1 11 9406 1 1 20 GLN HB3 H 1.954 4.714 -6.214 1.00 . A A . 20 GLN HB3 1 1 11 9407 1 1 20 GLN HE21 H 0.586 1.199 -8.653 1.00 . A A . 20 GLN HE21 1 1 11 9408 1 1 20 GLN HE22 H 2.219 0.999 -9.134 1.00 . A A . 20 GLN HE22 1 1 11 9409 1 1 20 GLN HG2 H 0.040 2.500 -6.918 1.00 . A A . 20 GLN HG2 1 1 11 9410 1 1 20 GLN HG3 H 0.405 3.959 -7.834 1.00 . A A . 20 GLN HG3 1 1 11 9411 1 1 20 GLN N N 1.172 3.288 -3.590 1.00 . A A . 20 GLN N 1 1 11 9412 1 1 20 GLN NE2 N 1.521 1.466 -8.619 1.00 . A A . 20 GLN NE2 1 1 11 9413 1 1 20 GLN O O 3.572 4.502 -3.892 1.00 . A A . 20 GLN O 1 1 11 9414 1 1 20 GLN OE1 O 3.032 2.868 -7.866 1.00 . A A . 20 GLN OE1 1 1 11 9415 1 1 21 CYS C C 5.944 4.197 -6.140 1.00 . A A . 21 CYS C 1 1 11 9416 1 1 21 CYS CA C 5.684 3.182 -5.049 1.00 . A A . 21 CYS CA 1 1 11 9417 1 1 21 CYS CB C 6.607 1.951 -5.272 1.00 . A A . 21 CYS CB 1 1 11 9418 1 1 21 CYS H H 3.985 2.014 -5.661 1.00 . A A . 21 CYS H 1 1 11 9419 1 1 21 CYS HA H 5.868 3.622 -4.079 1.00 . A A . 21 CYS HA 1 1 11 9420 1 1 21 CYS HB2 H 6.355 1.131 -4.630 1.00 . A A . 21 CYS HB2 1 1 11 9421 1 1 21 CYS HB3 H 6.550 1.631 -6.302 1.00 . A A . 21 CYS HB3 1 1 11 9422 1 1 21 CYS N N 4.262 2.802 -5.148 1.00 . A A . 21 CYS N 1 1 11 9423 1 1 21 CYS O O 5.360 4.114 -7.216 1.00 . A A . 21 CYS O 1 1 11 9424 1 1 21 CYS SG S 8.377 2.136 -4.911 1.00 . A A . 21 CYS SG 1 1 11 9425 1 1 22 ASP C C 8.544 6.073 -7.232 1.00 . A A . 22 ASP C 1 1 11 9426 1 1 22 ASP CA C 7.078 6.132 -6.891 1.00 . A A . 22 ASP CA 1 1 11 9427 1 1 22 ASP CB C 6.715 7.541 -6.394 1.00 . A A . 22 ASP CB 1 1 11 9428 1 1 22 ASP CG C 5.230 7.720 -6.103 1.00 . A A . 22 ASP CG 1 1 11 9429 1 1 22 ASP H H 7.163 5.225 -4.981 1.00 . A A . 22 ASP H 1 1 11 9430 1 1 22 ASP HA H 6.502 5.918 -7.778 1.00 . A A . 22 ASP HA 1 1 11 9431 1 1 22 ASP HB2 H 7.254 7.701 -5.472 1.00 . A A . 22 ASP HB2 1 1 11 9432 1 1 22 ASP HB3 H 7.032 8.268 -7.126 1.00 . A A . 22 ASP HB3 1 1 11 9433 1 1 22 ASP N N 6.767 5.146 -5.882 1.00 . A A . 22 ASP N 1 1 11 9434 1 1 22 ASP O O 9.099 7.022 -7.810 1.00 . A A . 22 ASP O 1 1 11 9435 1 1 22 ASP OD1 O 4.446 7.922 -7.065 1.00 . A A . 22 ASP OD1 1 1 11 9436 1 1 22 ASP OD2 O 4.843 7.669 -4.918 1.00 . A A . 22 ASP OD2 1 1 11 9437 1 1 23 GLY C C 11.161 3.872 -8.041 1.00 . A A . 23 GLY C 1 1 11 9438 1 1 23 GLY CA C 10.616 4.882 -7.066 1.00 . A A . 23 GLY CA 1 1 11 9439 1 1 23 GLY H H 8.689 4.160 -6.596 1.00 . A A . 23 GLY H 1 1 11 9440 1 1 23 GLY HA2 H 10.979 5.856 -7.360 1.00 . A A . 23 GLY HA2 1 1 11 9441 1 1 23 GLY HA3 H 11.011 4.657 -6.088 1.00 . A A . 23 GLY HA3 1 1 11 9442 1 1 23 GLY N N 9.182 4.942 -6.926 1.00 . A A . 23 GLY N 1 1 11 9443 1 1 23 GLY O O 12.361 3.640 -8.047 1.00 . A A . 23 GLY O 1 1 11 9444 1 1 24 GLY C C 10.029 1.183 -10.143 1.00 . A A . 24 GLY C 1 1 11 9445 1 1 24 GLY CA C 10.891 2.347 -9.818 1.00 . A A . 24 GLY CA 1 1 11 9446 1 1 24 GLY H H 9.374 3.488 -8.774 1.00 . A A . 24 GLY H 1 1 11 9447 1 1 24 GLY HA2 H 11.086 2.888 -10.733 1.00 . A A . 24 GLY HA2 1 1 11 9448 1 1 24 GLY HA3 H 11.832 1.984 -9.434 1.00 . A A . 24 GLY HA3 1 1 11 9449 1 1 24 GLY N N 10.331 3.261 -8.850 1.00 . A A . 24 GLY N 1 1 11 9450 1 1 24 GLY O O 9.745 0.946 -11.316 1.00 . A A . 24 GLY O 1 1 11 9451 1 1 25 CYS C C 7.426 -0.162 -9.806 1.00 . A A . 25 CYS C 1 1 11 9452 1 1 25 CYS CA C 8.779 -0.703 -9.406 1.00 . A A . 25 CYS CA 1 1 11 9453 1 1 25 CYS CB C 8.731 -1.717 -8.192 1.00 . A A . 25 CYS CB 1 1 11 9454 1 1 25 CYS H H 9.866 0.665 -8.218 1.00 . A A . 25 CYS H 1 1 11 9455 1 1 25 CYS HA H 9.201 -1.179 -10.278 1.00 . A A . 25 CYS HA 1 1 11 9456 1 1 25 CYS HB2 H 8.192 -2.602 -8.496 1.00 . A A . 25 CYS HB2 1 1 11 9457 1 1 25 CYS HB3 H 9.747 -1.998 -7.950 1.00 . A A . 25 CYS HB3 1 1 11 9458 1 1 25 CYS N N 9.614 0.431 -9.137 1.00 . A A . 25 CYS N 1 1 11 9459 1 1 25 CYS O O 7.026 -0.249 -10.972 1.00 . A A . 25 CYS O 1 1 11 9460 1 1 25 CYS SG S 7.927 -1.143 -6.644 1.00 . A A . 25 CYS SG 1 1 11 9461 1 1 26 ASP C C 4.366 0.259 -9.020 1.00 . A A . 26 ASP C 1 1 11 9462 1 1 26 ASP CA C 5.554 1.148 -8.941 1.00 . A A . 26 ASP CA 1 1 11 9463 1 1 26 ASP CB C 5.570 2.205 -10.074 1.00 . A A . 26 ASP CB 1 1 11 9464 1 1 26 ASP CG C 6.829 3.103 -10.098 1.00 . A A . 26 ASP CG 1 1 11 9465 1 1 26 ASP H H 6.889 -0.078 -7.947 1.00 . A A . 26 ASP H 1 1 11 9466 1 1 26 ASP HA H 5.466 1.651 -7.986 1.00 . A A . 26 ASP HA 1 1 11 9467 1 1 26 ASP HB2 H 5.412 1.728 -11.029 1.00 . A A . 26 ASP HB2 1 1 11 9468 1 1 26 ASP HB3 H 4.714 2.839 -9.902 1.00 . A A . 26 ASP HB3 1 1 11 9469 1 1 26 ASP N N 6.731 0.335 -8.813 1.00 . A A . 26 ASP N 1 1 11 9470 1 1 26 ASP O O 3.625 0.236 -9.998 1.00 . A A . 26 ASP O 1 1 11 9471 1 1 26 ASP OD1 O 7.518 3.273 -9.053 1.00 . A A . 26 ASP OD1 1 1 11 9472 1 1 26 ASP OD2 O 7.123 3.671 -11.183 1.00 . A A . 26 ASP OD2 1 1 11 9473 1 1 27 GLU C C 2.484 -1.009 -6.486 1.00 . A A . 27 GLU C 1 1 11 9474 1 1 27 GLU CA C 3.131 -1.407 -7.791 1.00 . A A . 27 GLU CA 1 1 11 9475 1 1 27 GLU CB C 3.606 -2.874 -7.745 1.00 . A A . 27 GLU CB 1 1 11 9476 1 1 27 GLU CD C 4.638 -4.832 -9.003 1.00 . A A . 27 GLU CD 1 1 11 9477 1 1 27 GLU CG C 4.181 -3.390 -9.064 1.00 . A A . 27 GLU CG 1 1 11 9478 1 1 27 GLU H H 4.874 -0.528 -7.253 1.00 . A A . 27 GLU H 1 1 11 9479 1 1 27 GLU HA H 2.429 -1.271 -8.600 1.00 . A A . 27 GLU HA 1 1 11 9480 1 1 27 GLU HB2 H 4.373 -2.967 -6.991 1.00 . A A . 27 GLU HB2 1 1 11 9481 1 1 27 GLU HB3 H 2.768 -3.486 -7.461 1.00 . A A . 27 GLU HB3 1 1 11 9482 1 1 27 GLU HG2 H 3.439 -3.306 -9.842 1.00 . A A . 27 GLU HG2 1 1 11 9483 1 1 27 GLU HG3 H 5.029 -2.775 -9.325 1.00 . A A . 27 GLU HG3 1 1 11 9484 1 1 27 GLU N N 4.227 -0.526 -7.985 1.00 . A A . 27 GLU N 1 1 11 9485 1 1 27 GLU O O 2.971 -0.073 -5.816 1.00 . A A . 27 GLU O 1 1 11 9486 1 1 27 GLU OE1 O 3.772 -5.743 -9.000 1.00 . A A . 27 GLU OE1 1 1 11 9487 1 1 27 GLU OE2 O 5.864 -5.076 -8.965 1.00 . A A . 27 GLU OE2 1 1 11 9488 1 1 28 TRP C C 1.106 -2.146 -3.730 1.00 . A A . 28 TRP C 1 1 11 9489 1 1 28 TRP CA C 0.720 -1.299 -4.920 1.00 . A A . 28 TRP CA 1 1 11 9490 1 1 28 TRP CB C -0.775 -1.338 -5.120 1.00 . A A . 28 TRP CB 1 1 11 9491 1 1 28 TRP CD1 C -1.420 -0.594 -7.478 1.00 . A A . 28 TRP CD1 1 1 11 9492 1 1 28 TRP CD2 C -1.773 0.942 -5.905 1.00 . A A . 28 TRP CD2 1 1 11 9493 1 1 28 TRP CE2 C -2.166 1.471 -7.145 1.00 . A A . 28 TRP CE2 1 1 11 9494 1 1 28 TRP CE3 C -1.911 1.733 -4.771 1.00 . A A . 28 TRP CE3 1 1 11 9495 1 1 28 TRP CG C -1.293 -0.380 -6.142 1.00 . A A . 28 TRP CG 1 1 11 9496 1 1 28 TRP CH2 C -2.807 3.493 -6.145 1.00 . A A . 28 TRP CH2 1 1 11 9497 1 1 28 TRP CZ2 C -2.684 2.753 -7.272 1.00 . A A . 28 TRP CZ2 1 1 11 9498 1 1 28 TRP CZ3 C -2.430 3.002 -4.912 1.00 . A A . 28 TRP CZ3 1 1 11 9499 1 1 28 TRP H H 1.121 -2.451 -6.626 1.00 . A A . 28 TRP H 1 1 11 9500 1 1 28 TRP HA H 1.001 -0.278 -4.700 1.00 . A A . 28 TRP HA 1 1 11 9501 1 1 28 TRP HB2 H -1.071 -2.333 -5.403 1.00 . A A . 28 TRP HB2 1 1 11 9502 1 1 28 TRP HB3 H -1.203 -1.066 -4.169 1.00 . A A . 28 TRP HB3 1 1 11 9503 1 1 28 TRP HD1 H -1.145 -1.513 -7.967 1.00 . A A . 28 TRP HD1 1 1 11 9504 1 1 28 TRP HE1 H -2.129 0.575 -9.046 1.00 . A A . 28 TRP HE1 1 1 11 9505 1 1 28 TRP HE3 H -1.621 1.373 -3.793 1.00 . A A . 28 TRP HE3 1 1 11 9506 1 1 28 TRP HH2 H -3.224 4.484 -6.195 1.00 . A A . 28 TRP HH2 1 1 11 9507 1 1 28 TRP HZ2 H -2.982 3.165 -8.222 1.00 . A A . 28 TRP HZ2 1 1 11 9508 1 1 28 TRP HZ3 H -2.563 3.650 -4.065 1.00 . A A . 28 TRP HZ3 1 1 11 9509 1 1 28 TRP N N 1.427 -1.675 -6.111 1.00 . A A . 28 TRP N 1 1 11 9510 1 1 28 TRP NE1 N -1.944 0.511 -8.084 1.00 . A A . 28 TRP NE1 1 1 11 9511 1 1 28 TRP O O 1.346 -3.351 -3.850 1.00 . A A . 28 TRP O 1 1 11 9512 1 1 29 PHE C C 0.414 -1.727 -0.326 1.00 . A A . 29 PHE C 1 1 11 9513 1 1 29 PHE CA C 1.494 -2.092 -1.311 1.00 . A A . 29 PHE CA 1 1 11 9514 1 1 29 PHE CB C 2.745 -1.527 -0.708 1.00 . A A . 29 PHE CB 1 1 11 9515 1 1 29 PHE CD1 C 4.601 -2.386 -2.115 1.00 . A A . 29 PHE CD1 1 1 11 9516 1 1 29 PHE CD2 C 4.268 -0.035 -1.893 1.00 . A A . 29 PHE CD2 1 1 11 9517 1 1 29 PHE CE1 C 5.688 -2.146 -2.922 1.00 . A A . 29 PHE CE1 1 1 11 9518 1 1 29 PHE CE2 C 5.332 0.207 -2.667 1.00 . A A . 29 PHE CE2 1 1 11 9519 1 1 29 PHE CG C 3.885 -1.323 -1.595 1.00 . A A . 29 PHE CG 1 1 11 9520 1 1 29 PHE CZ C 6.050 -0.839 -3.197 1.00 . A A . 29 PHE CZ 1 1 11 9521 1 1 29 PHE H H 1.080 -0.513 -2.680 1.00 . A A . 29 PHE H 1 1 11 9522 1 1 29 PHE HA H 1.589 -3.164 -1.406 1.00 . A A . 29 PHE HA 1 1 11 9523 1 1 29 PHE HB2 H 2.507 -0.564 -0.281 1.00 . A A . 29 PHE HB2 1 1 11 9524 1 1 29 PHE HB3 H 3.047 -2.193 0.088 1.00 . A A . 29 PHE HB3 1 1 11 9525 1 1 29 PHE HD1 H 4.299 -3.400 -1.894 1.00 . A A . 29 PHE HD1 1 1 11 9526 1 1 29 PHE HD2 H 3.714 0.808 -1.499 1.00 . A A . 29 PHE HD2 1 1 11 9527 1 1 29 PHE HE1 H 6.256 -2.965 -3.336 1.00 . A A . 29 PHE HE1 1 1 11 9528 1 1 29 PHE HE2 H 5.588 1.237 -2.861 1.00 . A A . 29 PHE HE2 1 1 11 9529 1 1 29 PHE HZ H 6.908 -0.609 -3.807 1.00 . A A . 29 PHE HZ 1 1 11 9530 1 1 29 PHE N N 1.186 -1.488 -2.599 1.00 . A A . 29 PHE N 1 1 11 9531 1 1 29 PHE O O -0.491 -0.994 -0.653 1.00 . A A . 29 PHE O 1 1 11 9532 1 1 30 HIS C C 0.586 -1.029 2.871 1.00 . A A . 30 HIS C 1 1 11 9533 1 1 30 HIS CA C -0.340 -1.814 1.954 1.00 . A A . 30 HIS CA 1 1 11 9534 1 1 30 HIS CB C -0.955 -2.959 2.737 1.00 . A A . 30 HIS CB 1 1 11 9535 1 1 30 HIS CD2 C -3.164 -3.945 1.760 1.00 . A A . 30 HIS CD2 1 1 11 9536 1 1 30 HIS CE1 C -2.328 -5.828 0.961 1.00 . A A . 30 HIS CE1 1 1 11 9537 1 1 30 HIS CG C -1.819 -3.912 1.957 1.00 . A A . 30 HIS CG 1 1 11 9538 1 1 30 HIS H H 1.207 -2.954 0.986 1.00 . A A . 30 HIS H 1 1 11 9539 1 1 30 HIS HA H -1.100 -1.159 1.554 1.00 . A A . 30 HIS HA 1 1 11 9540 1 1 30 HIS HB2 H -0.150 -3.540 3.167 1.00 . A A . 30 HIS HB2 1 1 11 9541 1 1 30 HIS HB3 H -1.542 -2.565 3.557 1.00 . A A . 30 HIS HB3 1 1 11 9542 1 1 30 HIS HD2 H -3.869 -3.176 2.042 1.00 . A A . 30 HIS HD2 1 1 11 9543 1 1 30 HIS HE1 H -2.244 -6.858 0.627 1.00 . A A . 30 HIS HE1 1 1 11 9544 1 1 30 HIS HE2 H -4.252 -5.304 0.577 1.00 . A A . 30 HIS HE2 1 1 11 9545 1 1 30 HIS N N 0.494 -2.281 0.872 1.00 . A A . 30 HIS N 1 1 11 9546 1 1 30 HIS ND1 N -1.325 -5.089 1.429 1.00 . A A . 30 HIS ND1 1 1 11 9547 1 1 30 HIS NE2 N -3.459 -5.149 1.136 1.00 . A A . 30 HIS NE2 1 1 11 9548 1 1 30 HIS O O 1.727 -1.417 3.043 1.00 . A A . 30 HIS O 1 1 11 9549 1 1 31 GLN C C 1.641 0.114 5.396 1.00 . A A . 31 GLN C 1 1 11 9550 1 1 31 GLN CA C 0.870 0.918 4.335 1.00 . A A . 31 GLN CA 1 1 11 9551 1 1 31 GLN CB C -0.121 1.826 5.024 1.00 . A A . 31 GLN CB 1 1 11 9552 1 1 31 GLN CD C -0.346 3.934 3.608 1.00 . A A . 31 GLN CD 1 1 11 9553 1 1 31 GLN CG C -0.958 2.633 4.044 1.00 . A A . 31 GLN CG 1 1 11 9554 1 1 31 GLN H H -0.816 0.298 3.218 1.00 . A A . 31 GLN H 1 1 11 9555 1 1 31 GLN HA H 1.548 1.522 3.756 1.00 . A A . 31 GLN HA 1 1 11 9556 1 1 31 GLN HB2 H -0.773 1.220 5.634 1.00 . A A . 31 GLN HB2 1 1 11 9557 1 1 31 GLN HB3 H 0.440 2.513 5.641 1.00 . A A . 31 GLN HB3 1 1 11 9558 1 1 31 GLN HE21 H -1.304 3.852 1.863 1.00 . A A . 31 GLN HE21 1 1 11 9559 1 1 31 GLN HE22 H -0.299 5.230 2.132 1.00 . A A . 31 GLN HE22 1 1 11 9560 1 1 31 GLN HG2 H -0.844 2.010 3.161 1.00 . A A . 31 GLN HG2 1 1 11 9561 1 1 31 GLN HG3 H -1.989 2.745 4.343 1.00 . A A . 31 GLN HG3 1 1 11 9562 1 1 31 GLN N N 0.100 0.041 3.437 1.00 . A A . 31 GLN N 1 1 11 9563 1 1 31 GLN NE2 N -0.684 4.377 2.415 1.00 . A A . 31 GLN NE2 1 1 11 9564 1 1 31 GLN O O 2.844 0.254 5.529 1.00 . A A . 31 GLN O 1 1 11 9565 1 1 31 GLN OE1 O 0.397 4.555 4.339 1.00 . A A . 31 GLN OE1 1 1 11 9566 1 1 32 VAL C C 2.567 -2.582 6.729 1.00 . A A . 32 VAL C 1 1 11 9567 1 1 32 VAL CA C 1.543 -1.516 7.186 1.00 . A A . 32 VAL CA 1 1 11 9568 1 1 32 VAL CB C 0.455 -2.184 8.082 1.00 . A A . 32 VAL CB 1 1 11 9569 1 1 32 VAL CG1 C -0.502 -1.131 8.626 1.00 . A A . 32 VAL CG1 1 1 11 9570 1 1 32 VAL CG2 C -0.313 -3.257 7.309 1.00 . A A . 32 VAL CG2 1 1 11 9571 1 1 32 VAL H H 0.025 -1.021 5.887 1.00 . A A . 32 VAL H 1 1 11 9572 1 1 32 VAL HA H 2.060 -0.787 7.790 1.00 . A A . 32 VAL HA 1 1 11 9573 1 1 32 VAL HB H 0.941 -2.646 8.929 1.00 . A A . 32 VAL HB 1 1 11 9574 1 1 32 VAL HG11 H -0.989 -0.661 7.785 1.00 . A A . 32 VAL HG11 1 1 11 9575 1 1 32 VAL HG12 H 0.043 -0.392 9.195 1.00 . A A . 32 VAL HG12 1 1 11 9576 1 1 32 VAL HG13 H -1.245 -1.618 9.240 1.00 . A A . 32 VAL HG13 1 1 11 9577 1 1 32 VAL HG21 H 0.399 -3.984 6.945 1.00 . A A . 32 VAL HG21 1 1 11 9578 1 1 32 VAL HG22 H -0.819 -2.802 6.471 1.00 . A A . 32 VAL HG22 1 1 11 9579 1 1 32 VAL HG23 H -1.040 -3.734 7.948 1.00 . A A . 32 VAL HG23 1 1 11 9580 1 1 32 VAL N N 0.948 -0.773 6.084 1.00 . A A . 32 VAL N 1 1 11 9581 1 1 32 VAL O O 3.516 -2.872 7.446 1.00 . A A . 32 VAL O 1 1 11 9582 1 1 33 CYS C C 4.522 -3.809 4.477 1.00 . A A . 33 CYS C 1 1 11 9583 1 1 33 CYS CA C 3.204 -4.277 5.096 1.00 . A A . 33 CYS CA 1 1 11 9584 1 1 33 CYS CB C 2.423 -5.179 4.112 1.00 . A A . 33 CYS CB 1 1 11 9585 1 1 33 CYS H H 1.736 -2.774 4.900 1.00 . A A . 33 CYS H 1 1 11 9586 1 1 33 CYS HA H 3.435 -4.851 5.981 1.00 . A A . 33 CYS HA 1 1 11 9587 1 1 33 CYS HB2 H 2.993 -6.037 3.795 1.00 . A A . 33 CYS HB2 1 1 11 9588 1 1 33 CYS HB3 H 1.496 -5.503 4.550 1.00 . A A . 33 CYS HB3 1 1 11 9589 1 1 33 CYS N N 2.381 -3.144 5.534 1.00 . A A . 33 CYS N 1 1 11 9590 1 1 33 CYS O O 5.505 -4.536 4.481 1.00 . A A . 33 CYS O 1 1 11 9591 1 1 33 CYS SG S 1.927 -4.334 2.653 1.00 . A A . 33 CYS SG 1 1 11 9592 1 1 34 VAL C C 6.381 -1.036 4.227 1.00 . A A . 34 VAL C 1 1 11 9593 1 1 34 VAL CA C 5.677 -2.098 3.320 1.00 . A A . 34 VAL CA 1 1 11 9594 1 1 34 VAL CB C 5.294 -1.520 1.931 1.00 . A A . 34 VAL CB 1 1 11 9595 1 1 34 VAL CG1 C 4.459 -0.259 2.009 1.00 . A A . 34 VAL CG1 1 1 11 9596 1 1 34 VAL CG2 C 6.490 -1.326 1.100 1.00 . A A . 34 VAL CG2 1 1 11 9597 1 1 34 VAL H H 3.770 -1.994 3.959 1.00 . A A . 34 VAL H 1 1 11 9598 1 1 34 VAL HA H 6.348 -2.933 3.171 1.00 . A A . 34 VAL HA 1 1 11 9599 1 1 34 VAL HB H 4.660 -2.235 1.422 1.00 . A A . 34 VAL HB 1 1 11 9600 1 1 34 VAL HG11 H 3.494 -0.382 2.486 1.00 . A A . 34 VAL HG11 1 1 11 9601 1 1 34 VAL HG12 H 4.296 0.102 1.002 1.00 . A A . 34 VAL HG12 1 1 11 9602 1 1 34 VAL HG13 H 5.042 0.473 2.544 1.00 . A A . 34 VAL HG13 1 1 11 9603 1 1 34 VAL HG21 H 7.133 -0.675 1.669 1.00 . A A . 34 VAL HG21 1 1 11 9604 1 1 34 VAL HG22 H 6.197 -0.892 0.159 1.00 . A A . 34 VAL HG22 1 1 11 9605 1 1 34 VAL HG23 H 6.888 -2.322 0.979 1.00 . A A . 34 VAL HG23 1 1 11 9606 1 1 34 VAL N N 4.534 -2.601 3.952 1.00 . A A . 34 VAL N 1 1 11 9607 1 1 34 VAL O O 7.342 -0.381 3.817 1.00 . A A . 34 VAL O 1 1 11 9608 1 1 35 GLY C C 6.266 1.470 6.084 1.00 . A A . 35 GLY C 1 1 11 9609 1 1 35 GLY CA C 6.510 -0.008 6.420 1.00 . A A . 35 GLY CA 1 1 11 9610 1 1 35 GLY H H 5.385 -1.685 5.832 1.00 . A A . 35 GLY H 1 1 11 9611 1 1 35 GLY HA2 H 6.032 -0.194 7.368 1.00 . A A . 35 GLY HA2 1 1 11 9612 1 1 35 GLY HA3 H 7.573 -0.182 6.534 1.00 . A A . 35 GLY HA3 1 1 11 9613 1 1 35 GLY N N 5.963 -0.974 5.487 1.00 . A A . 35 GLY N 1 1 11 9614 1 1 35 GLY O O 7.197 2.279 6.140 1.00 . A A . 35 GLY O 1 1 11 9615 1 1 36 VAL C C 4.001 3.742 6.762 1.00 . A A . 36 VAL C 1 1 11 9616 1 1 36 VAL CA C 4.708 3.226 5.514 1.00 . A A . 36 VAL CA 1 1 11 9617 1 1 36 VAL CB C 3.668 3.424 4.342 1.00 . A A . 36 VAL CB 1 1 11 9618 1 1 36 VAL CG1 C 3.415 4.830 4.013 1.00 . A A . 36 VAL CG1 1 1 11 9619 1 1 36 VAL CG2 C 4.040 2.803 3.096 1.00 . A A . 36 VAL CG2 1 1 11 9620 1 1 36 VAL H H 4.332 1.140 5.721 1.00 . A A . 36 VAL H 1 1 11 9621 1 1 36 VAL HA H 5.609 3.782 5.307 1.00 . A A . 36 VAL HA 1 1 11 9622 1 1 36 VAL HB H 2.737 2.983 4.665 1.00 . A A . 36 VAL HB 1 1 11 9623 1 1 36 VAL HG11 H 3.262 5.454 4.877 1.00 . A A . 36 VAL HG11 1 1 11 9624 1 1 36 VAL HG12 H 2.466 4.719 3.499 1.00 . A A . 36 VAL HG12 1 1 11 9625 1 1 36 VAL HG13 H 4.175 5.174 3.324 1.00 . A A . 36 VAL HG13 1 1 11 9626 1 1 36 VAL HG21 H 3.455 3.359 2.371 1.00 . A A . 36 VAL HG21 1 1 11 9627 1 1 36 VAL HG22 H 3.790 1.759 3.100 1.00 . A A . 36 VAL HG22 1 1 11 9628 1 1 36 VAL HG23 H 5.095 2.973 2.934 1.00 . A A . 36 VAL HG23 1 1 11 9629 1 1 36 VAL N N 5.038 1.825 5.758 1.00 . A A . 36 VAL N 1 1 11 9630 1 1 36 VAL O O 3.501 2.956 7.565 1.00 . A A . 36 VAL O 1 1 11 9631 1 1 37 SER C C 2.196 6.526 7.093 1.00 . A A . 37 SER C 1 1 11 9632 1 1 37 SER CA C 3.144 5.632 7.912 1.00 . A A . 37 SER CA 1 1 11 9633 1 1 37 SER CB C 4.002 6.457 8.870 1.00 . A A . 37 SER CB 1 1 11 9634 1 1 37 SER H H 4.450 5.737 6.463 1.00 . A A . 37 SER H 1 1 11 9635 1 1 37 SER HA H 2.598 4.862 8.431 1.00 . A A . 37 SER HA 1 1 11 9636 1 1 37 SER HB2 H 4.452 7.280 8.336 1.00 . A A . 37 SER HB2 1 1 11 9637 1 1 37 SER HB3 H 3.392 6.843 9.673 1.00 . A A . 37 SER HB3 1 1 11 9638 1 1 37 SER HG H 4.968 4.807 8.940 1.00 . A A . 37 SER HG 1 1 11 9639 1 1 37 SER N N 3.972 5.031 6.942 1.00 . A A . 37 SER N 1 1 11 9640 1 1 37 SER O O 2.668 7.181 6.143 1.00 . A A . 37 SER O 1 1 11 9641 1 1 37 SER OG O 5.029 5.643 9.425 1.00 . A A . 37 SER OG 1 1 11 9642 1 1 38 PRO C C 0.270 8.668 6.156 1.00 . A A . 38 PRO C 1 1 11 9643 1 1 38 PRO CA C -0.169 7.271 6.618 1.00 . A A . 38 PRO CA 1 1 11 9644 1 1 38 PRO CB C -1.308 7.390 7.617 1.00 . A A . 38 PRO CB 1 1 11 9645 1 1 38 PRO CD C 0.275 5.819 8.547 1.00 . A A . 38 PRO CD 1 1 11 9646 1 1 38 PRO CG C -1.199 6.161 8.457 1.00 . A A . 38 PRO CG 1 1 11 9647 1 1 38 PRO HA H -0.497 6.697 5.765 1.00 . A A . 38 PRO HA 1 1 11 9648 1 1 38 PRO HB2 H -1.190 8.287 8.208 1.00 . A A . 38 PRO HB2 1 1 11 9649 1 1 38 PRO HB3 H -2.254 7.423 7.095 1.00 . A A . 38 PRO HB3 1 1 11 9650 1 1 38 PRO HD2 H 0.704 6.146 9.485 1.00 . A A . 38 PRO HD2 1 1 11 9651 1 1 38 PRO HD3 H 0.408 4.752 8.426 1.00 . A A . 38 PRO HD3 1 1 11 9652 1 1 38 PRO HG2 H -1.598 6.376 9.439 1.00 . A A . 38 PRO HG2 1 1 11 9653 1 1 38 PRO HG3 H -1.751 5.357 7.996 1.00 . A A . 38 PRO HG3 1 1 11 9654 1 1 38 PRO N N 0.875 6.536 7.402 1.00 . A A . 38 PRO N 1 1 11 9655 1 1 38 PRO O O 0.060 9.058 5.002 1.00 . A A . 38 PRO O 1 1 11 9656 1 1 39 GLU C C 2.369 10.785 5.642 1.00 . A A . 39 GLU C 1 1 11 9657 1 1 39 GLU CA C 1.396 10.747 6.818 1.00 . A A . 39 GLU CA 1 1 11 9658 1 1 39 GLU CB C 2.172 11.197 8.046 1.00 . A A . 39 GLU CB 1 1 11 9659 1 1 39 GLU CD C 2.303 11.337 10.548 1.00 . A A . 39 GLU CD 1 1 11 9660 1 1 39 GLU CG C 1.443 10.989 9.358 1.00 . A A . 39 GLU CG 1 1 11 9661 1 1 39 GLU H H 1.127 8.974 7.924 1.00 . A A . 39 GLU H 1 1 11 9662 1 1 39 GLU HA H 0.554 11.404 6.675 1.00 . A A . 39 GLU HA 1 1 11 9663 1 1 39 GLU HB2 H 3.094 10.635 8.085 1.00 . A A . 39 GLU HB2 1 1 11 9664 1 1 39 GLU HB3 H 2.416 12.245 7.948 1.00 . A A . 39 GLU HB3 1 1 11 9665 1 1 39 GLU HG2 H 0.548 11.591 9.362 1.00 . A A . 39 GLU HG2 1 1 11 9666 1 1 39 GLU HG3 H 1.158 9.948 9.429 1.00 . A A . 39 GLU HG3 1 1 11 9667 1 1 39 GLU N N 0.939 9.378 7.052 1.00 . A A . 39 GLU N 1 1 11 9668 1 1 39 GLU O O 2.288 11.629 4.769 1.00 . A A . 39 GLU O 1 1 11 9669 1 1 39 GLU OE1 O 3.184 10.539 10.893 1.00 . A A . 39 GLU OE1 1 1 11 9670 1 1 39 GLU OE2 O 2.101 12.397 11.159 1.00 . A A . 39 GLU OE2 1 1 11 9671 1 1 40 MET C C 3.807 9.477 3.240 1.00 . A A . 40 MET C 1 1 11 9672 1 1 40 MET CA C 4.321 9.767 4.639 1.00 . A A . 40 MET CA 1 1 11 9673 1 1 40 MET CB C 5.371 8.730 5.041 1.00 . A A . 40 MET CB 1 1 11 9674 1 1 40 MET CE C 7.884 8.403 8.350 1.00 . A A . 40 MET CE 1 1 11 9675 1 1 40 MET CG C 6.068 9.028 6.356 1.00 . A A . 40 MET CG 1 1 11 9676 1 1 40 MET H H 3.046 9.076 6.239 1.00 . A A . 40 MET H 1 1 11 9677 1 1 40 MET HA H 4.791 10.738 4.631 1.00 . A A . 40 MET HA 1 1 11 9678 1 1 40 MET HB2 H 4.900 7.762 5.121 1.00 . A A . 40 MET HB2 1 1 11 9679 1 1 40 MET HB3 H 6.119 8.683 4.264 1.00 . A A . 40 MET HB3 1 1 11 9680 1 1 40 MET HE1 H 8.596 7.705 8.766 1.00 . A A . 40 MET HE1 1 1 11 9681 1 1 40 MET HE2 H 7.089 8.577 9.061 1.00 . A A . 40 MET HE2 1 1 11 9682 1 1 40 MET HE3 H 8.390 9.329 8.124 1.00 . A A . 40 MET HE3 1 1 11 9683 1 1 40 MET HG2 H 6.619 9.950 6.245 1.00 . A A . 40 MET HG2 1 1 11 9684 1 1 40 MET HG3 H 5.327 9.143 7.133 1.00 . A A . 40 MET HG3 1 1 11 9685 1 1 40 MET N N 3.243 9.805 5.612 1.00 . A A . 40 MET N 1 1 11 9686 1 1 40 MET O O 4.104 10.207 2.324 1.00 . A A . 40 MET O 1 1 11 9687 1 1 40 MET SD S 7.207 7.726 6.838 1.00 . A A . 40 MET SD 1 1 11 9688 1 1 41 ALA C C 1.514 9.011 1.172 1.00 . A A . 41 ALA C 1 1 11 9689 1 1 41 ALA CA C 2.489 8.025 1.786 1.00 . A A . 41 ALA CA 1 1 11 9690 1 1 41 ALA CB C 1.804 6.724 1.878 1.00 . A A . 41 ALA CB 1 1 11 9691 1 1 41 ALA H H 2.733 7.904 3.891 1.00 . A A . 41 ALA H 1 1 11 9692 1 1 41 ALA HA H 3.331 7.906 1.119 1.00 . A A . 41 ALA HA 1 1 11 9693 1 1 41 ALA HB1 H 1.034 6.871 2.621 1.00 . A A . 41 ALA HB1 1 1 11 9694 1 1 41 ALA HB2 H 2.489 5.912 2.094 1.00 . A A . 41 ALA HB2 1 1 11 9695 1 1 41 ALA HB3 H 1.324 6.557 0.926 1.00 . A A . 41 ALA HB3 1 1 11 9696 1 1 41 ALA N N 2.993 8.435 3.103 1.00 . A A . 41 ALA N 1 1 11 9697 1 1 41 ALA O O 1.368 9.051 -0.028 1.00 . A A . 41 ALA O 1 1 11 9698 1 1 42 GLU C C 0.496 12.014 1.098 1.00 . A A . 42 GLU C 1 1 11 9699 1 1 42 GLU CA C -0.152 10.686 1.398 1.00 . A A . 42 GLU CA 1 1 11 9700 1 1 42 GLU CB C -1.341 10.870 2.324 1.00 . A A . 42 GLU CB 1 1 11 9701 1 1 42 GLU CD C -3.357 9.894 3.437 1.00 . A A . 42 GLU CD 1 1 11 9702 1 1 42 GLU CG C -2.182 9.625 2.528 1.00 . A A . 42 GLU CG 1 1 11 9703 1 1 42 GLU H H 0.919 9.757 2.940 1.00 . A A . 42 GLU H 1 1 11 9704 1 1 42 GLU HA H -0.495 10.259 0.467 1.00 . A A . 42 GLU HA 1 1 11 9705 1 1 42 GLU HB2 H -0.934 11.122 3.292 1.00 . A A . 42 GLU HB2 1 1 11 9706 1 1 42 GLU HB3 H -1.974 11.669 1.961 1.00 . A A . 42 GLU HB3 1 1 11 9707 1 1 42 GLU HG2 H -2.555 9.285 1.574 1.00 . A A . 42 GLU HG2 1 1 11 9708 1 1 42 GLU HG3 H -1.570 8.855 2.969 1.00 . A A . 42 GLU HG3 1 1 11 9709 1 1 42 GLU N N 0.813 9.762 1.965 1.00 . A A . 42 GLU N 1 1 11 9710 1 1 42 GLU O O 0.040 12.764 0.236 1.00 . A A . 42 GLU O 1 1 11 9711 1 1 42 GLU OE1 O -4.417 10.338 2.937 1.00 . A A . 42 GLU OE1 1 1 11 9712 1 1 42 GLU OE2 O -3.236 9.689 4.655 1.00 . A A . 42 GLU OE2 1 1 11 9713 1 1 43 ASN C C 3.431 13.609 0.743 1.00 . A A . 43 ASN C 1 1 11 9714 1 1 43 ASN CA C 2.232 13.577 1.677 1.00 . A A . 43 ASN CA 1 1 11 9715 1 1 43 ASN CB C 2.579 14.169 3.027 1.00 . A A . 43 ASN CB 1 1 11 9716 1 1 43 ASN CG C 1.378 14.745 3.757 1.00 . A A . 43 ASN CG 1 1 11 9717 1 1 43 ASN H H 1.859 11.607 2.441 1.00 . A A . 43 ASN H 1 1 11 9718 1 1 43 ASN HA H 1.502 14.234 1.231 1.00 . A A . 43 ASN HA 1 1 11 9719 1 1 43 ASN HB2 H 3.006 13.380 3.630 1.00 . A A . 43 ASN HB2 1 1 11 9720 1 1 43 ASN HB3 H 3.325 14.924 2.862 1.00 . A A . 43 ASN HB3 1 1 11 9721 1 1 43 ASN HD21 H 1.721 16.518 2.944 1.00 . A A . 43 ASN HD21 1 1 11 9722 1 1 43 ASN HD22 H 0.343 16.426 3.972 1.00 . A A . 43 ASN HD22 1 1 11 9723 1 1 43 ASN N N 1.561 12.295 1.805 1.00 . A A . 43 ASN N 1 1 11 9724 1 1 43 ASN ND2 N 1.124 16.018 3.544 1.00 . A A . 43 ASN ND2 1 1 11 9725 1 1 43 ASN O O 3.664 14.628 0.083 1.00 . A A . 43 ASN O 1 1 11 9726 1 1 43 ASN OD1 O 0.691 14.054 4.520 1.00 . A A . 43 ASN OD1 1 1 11 9727 1 1 44 GLU C C 5.554 11.212 -0.849 1.00 . A A . 44 GLU C 1 1 11 9728 1 1 44 GLU CA C 5.352 12.552 -0.152 1.00 . A A . 44 GLU CA 1 1 11 9729 1 1 44 GLU CB C 6.561 13.015 0.684 1.00 . A A . 44 GLU CB 1 1 11 9730 1 1 44 GLU CD C 8.950 13.767 0.689 1.00 . A A . 44 GLU CD 1 1 11 9731 1 1 44 GLU CG C 7.892 12.943 -0.007 1.00 . A A . 44 GLU CG 1 1 11 9732 1 1 44 GLU H H 4.001 11.724 1.175 1.00 . A A . 44 GLU H 1 1 11 9733 1 1 44 GLU HA H 5.166 13.305 -0.908 1.00 . A A . 44 GLU HA 1 1 11 9734 1 1 44 GLU HB2 H 6.390 14.044 0.956 1.00 . A A . 44 GLU HB2 1 1 11 9735 1 1 44 GLU HB3 H 6.607 12.418 1.586 1.00 . A A . 44 GLU HB3 1 1 11 9736 1 1 44 GLU HG2 H 8.163 11.899 0.020 1.00 . A A . 44 GLU HG2 1 1 11 9737 1 1 44 GLU HG3 H 7.780 13.259 -1.036 1.00 . A A . 44 GLU HG3 1 1 11 9738 1 1 44 GLU N N 4.195 12.547 0.676 1.00 . A A . 44 GLU N 1 1 11 9739 1 1 44 GLU O O 5.129 10.176 -0.337 1.00 . A A . 44 GLU O 1 1 11 9740 1 1 44 GLU OE1 O 9.329 13.457 1.819 1.00 . A A . 44 GLU OE1 1 1 11 9741 1 1 44 GLU OE2 O 9.370 14.807 0.107 1.00 . A A . 44 GLU OE2 1 1 11 9742 1 1 45 ASP C C 7.108 8.993 -2.094 1.00 . A A . 45 ASP C 1 1 11 9743 1 1 45 ASP CA C 6.428 10.098 -2.875 1.00 . A A . 45 ASP CA 1 1 11 9744 1 1 45 ASP CB C 7.218 10.486 -4.153 1.00 . A A . 45 ASP CB 1 1 11 9745 1 1 45 ASP CG C 8.528 11.227 -3.892 1.00 . A A . 45 ASP CG 1 1 11 9746 1 1 45 ASP H H 6.539 12.105 -2.381 1.00 . A A . 45 ASP H 1 1 11 9747 1 1 45 ASP HA H 5.450 9.749 -3.175 1.00 . A A . 45 ASP HA 1 1 11 9748 1 1 45 ASP HB2 H 7.427 9.592 -4.718 1.00 . A A . 45 ASP HB2 1 1 11 9749 1 1 45 ASP HB3 H 6.584 11.114 -4.758 1.00 . A A . 45 ASP HB3 1 1 11 9750 1 1 45 ASP N N 6.180 11.264 -2.034 1.00 . A A . 45 ASP N 1 1 11 9751 1 1 45 ASP O O 8.120 9.214 -1.415 1.00 . A A . 45 ASP O 1 1 11 9752 1 1 45 ASP OD1 O 8.512 12.490 -3.815 1.00 . A A . 45 ASP OD1 1 1 11 9753 1 1 45 ASP OD2 O 9.596 10.593 -3.797 1.00 . A A . 45 ASP OD2 1 1 11 9754 1 1 46 TYR C C 7.837 5.709 -2.123 1.00 . A A . 46 TYR C 1 1 11 9755 1 1 46 TYR CA C 7.024 6.749 -1.358 1.00 . A A . 46 TYR CA 1 1 11 9756 1 1 46 TYR CB C 5.913 6.146 -0.495 1.00 . A A . 46 TYR CB 1 1 11 9757 1 1 46 TYR CD1 C 7.225 5.374 1.494 1.00 . A A . 46 TYR CD1 1 1 11 9758 1 1 46 TYR CD2 C 6.136 3.775 0.143 1.00 . A A . 46 TYR CD2 1 1 11 9759 1 1 46 TYR CE1 C 7.730 4.375 2.296 1.00 . A A . 46 TYR CE1 1 1 11 9760 1 1 46 TYR CE2 C 6.627 2.752 0.918 1.00 . A A . 46 TYR CE2 1 1 11 9761 1 1 46 TYR CG C 6.420 5.074 0.409 1.00 . A A . 46 TYR CG 1 1 11 9762 1 1 46 TYR CZ C 7.428 3.064 2.008 1.00 . A A . 46 TYR CZ 1 1 11 9763 1 1 46 TYR H H 5.825 7.670 -2.822 1.00 . A A . 46 TYR H 1 1 11 9764 1 1 46 TYR HA H 7.742 7.186 -0.682 1.00 . A A . 46 TYR HA 1 1 11 9765 1 1 46 TYR HB2 H 5.493 6.925 0.124 1.00 . A A . 46 TYR HB2 1 1 11 9766 1 1 46 TYR HB3 H 5.150 5.723 -1.132 1.00 . A A . 46 TYR HB3 1 1 11 9767 1 1 46 TYR HD1 H 7.448 6.412 1.705 1.00 . A A . 46 TYR HD1 1 1 11 9768 1 1 46 TYR HD2 H 5.493 3.643 -0.708 1.00 . A A . 46 TYR HD2 1 1 11 9769 1 1 46 TYR HE1 H 8.355 4.623 3.142 1.00 . A A . 46 TYR HE1 1 1 11 9770 1 1 46 TYR HE2 H 6.380 1.730 0.655 1.00 . A A . 46 TYR HE2 1 1 11 9771 1 1 46 TYR HH H 8.188 1.298 2.291 1.00 . A A . 46 TYR HH 1 1 11 9772 1 1 46 TYR N N 6.551 7.809 -2.173 1.00 . A A . 46 TYR N 1 1 11 9773 1 1 46 TYR O O 7.489 5.278 -3.225 1.00 . A A . 46 TYR O 1 1 11 9774 1 1 46 TYR OH O 7.932 2.070 2.800 1.00 . A A . 46 TYR OH 1 1 11 9775 1 1 47 ILE C C 9.923 3.134 -1.280 1.00 . A A . 47 ILE C 1 1 11 9776 1 1 47 ILE CA C 9.885 4.411 -2.106 1.00 . A A . 47 ILE CA 1 1 11 9777 1 1 47 ILE CB C 11.313 5.034 -2.116 1.00 . A A . 47 ILE CB 1 1 11 9778 1 1 47 ILE CD1 C 10.903 6.526 -4.170 1.00 . A A . 47 ILE CD1 1 1 11 9779 1 1 47 ILE CG1 C 11.290 6.456 -2.721 1.00 . A A . 47 ILE CG1 1 1 11 9780 1 1 47 ILE CG2 C 12.303 4.136 -2.871 1.00 . A A . 47 ILE CG2 1 1 11 9781 1 1 47 ILE H H 8.929 5.790 -0.651 1.00 . A A . 47 ILE H 1 1 11 9782 1 1 47 ILE HA H 9.593 4.160 -3.117 1.00 . A A . 47 ILE HA 1 1 11 9783 1 1 47 ILE HB H 11.659 5.094 -1.096 1.00 . A A . 47 ILE HB 1 1 11 9784 1 1 47 ILE HD11 H 11.644 5.998 -4.747 1.00 . A A . 47 ILE HD11 1 1 11 9785 1 1 47 ILE HD12 H 10.882 7.558 -4.483 1.00 . A A . 47 ILE HD12 1 1 11 9786 1 1 47 ILE HD13 H 9.934 6.074 -4.332 1.00 . A A . 47 ILE HD13 1 1 11 9787 1 1 47 ILE HG12 H 10.516 7.007 -2.207 1.00 . A A . 47 ILE HG12 1 1 11 9788 1 1 47 ILE HG13 H 12.250 6.929 -2.582 1.00 . A A . 47 ILE HG13 1 1 11 9789 1 1 47 ILE HG21 H 13.288 4.584 -2.860 1.00 . A A . 47 ILE HG21 1 1 11 9790 1 1 47 ILE HG22 H 11.970 4.037 -3.895 1.00 . A A . 47 ILE HG22 1 1 11 9791 1 1 47 ILE HG23 H 12.343 3.153 -2.420 1.00 . A A . 47 ILE HG23 1 1 11 9792 1 1 47 ILE N N 8.934 5.333 -1.518 1.00 . A A . 47 ILE N 1 1 11 9793 1 1 47 ILE O O 10.085 3.185 -0.061 1.00 . A A . 47 ILE O 1 1 11 9794 1 1 48 CYS C C 11.315 0.353 -1.128 1.00 . A A . 48 CYS C 1 1 11 9795 1 1 48 CYS CA C 9.833 0.741 -1.242 1.00 . A A . 48 CYS CA 1 1 11 9796 1 1 48 CYS CB C 9.080 -0.343 -2.011 1.00 . A A . 48 CYS CB 1 1 11 9797 1 1 48 CYS H H 9.558 2.039 -2.888 1.00 . A A . 48 CYS H 1 1 11 9798 1 1 48 CYS HA H 9.410 0.860 -0.256 1.00 . A A . 48 CYS HA 1 1 11 9799 1 1 48 CYS HB2 H 8.942 -1.171 -1.331 1.00 . A A . 48 CYS HB2 1 1 11 9800 1 1 48 CYS HB3 H 8.109 0.024 -2.304 1.00 . A A . 48 CYS HB3 1 1 11 9801 1 1 48 CYS N N 9.753 2.004 -1.930 1.00 . A A . 48 CYS N 1 1 11 9802 1 1 48 CYS O O 12.168 0.981 -1.768 1.00 . A A . 48 CYS O 1 1 11 9803 1 1 48 CYS SG S 9.943 -1.003 -3.473 1.00 . A A . 48 CYS SG 1 1 11 9804 1 1 49 ILE C C 13.607 -1.695 -1.416 1.00 . A A . 49 ILE C 1 1 11 9805 1 1 49 ILE CA C 12.985 -1.125 -0.169 1.00 . A A . 49 ILE CA 1 1 11 9806 1 1 49 ILE CB C 13.072 -2.078 1.015 1.00 . A A . 49 ILE CB 1 1 11 9807 1 1 49 ILE CD1 C 13.037 -4.467 0.048 1.00 . A A . 49 ILE CD1 1 1 11 9808 1 1 49 ILE CG1 C 12.318 -3.364 0.830 1.00 . A A . 49 ILE CG1 1 1 11 9809 1 1 49 ILE CG2 C 12.520 -1.377 2.207 1.00 . A A . 49 ILE CG2 1 1 11 9810 1 1 49 ILE H H 10.935 -1.238 0.075 1.00 . A A . 49 ILE H 1 1 11 9811 1 1 49 ILE HA H 13.517 -0.241 0.118 1.00 . A A . 49 ILE HA 1 1 11 9812 1 1 49 ILE HB H 14.116 -2.284 1.184 1.00 . A A . 49 ILE HB 1 1 11 9813 1 1 49 ILE HD11 H 13.945 -4.729 0.572 1.00 . A A . 49 ILE HD11 1 1 11 9814 1 1 49 ILE HD12 H 13.275 -4.126 -0.949 1.00 . A A . 49 ILE HD12 1 1 11 9815 1 1 49 ILE HD13 H 12.397 -5.334 -0.012 1.00 . A A . 49 ILE HD13 1 1 11 9816 1 1 49 ILE HG12 H 12.257 -3.600 1.868 1.00 . A A . 49 ILE HG12 1 1 11 9817 1 1 49 ILE HG13 H 11.328 -3.168 0.444 1.00 . A A . 49 ILE HG13 1 1 11 9818 1 1 49 ILE HG21 H 11.512 -1.131 1.895 1.00 . A A . 49 ILE HG21 1 1 11 9819 1 1 49 ILE HG22 H 13.099 -0.487 2.401 1.00 . A A . 49 ILE HG22 1 1 11 9820 1 1 49 ILE HG23 H 12.482 -2.027 3.066 1.00 . A A . 49 ILE HG23 1 1 11 9821 1 1 49 ILE N N 11.618 -0.704 -0.378 1.00 . A A . 49 ILE N 1 1 11 9822 1 1 49 ILE O O 14.810 -1.641 -1.616 1.00 . A A . 49 ILE O 1 1 11 9823 1 1 50 ASN C C 13.692 -1.757 -4.522 1.00 . A A . 50 ASN C 1 1 11 9824 1 1 50 ASN CA C 13.166 -2.806 -3.544 1.00 . A A . 50 ASN CA 1 1 11 9825 1 1 50 ASN CB C 12.007 -3.593 -4.197 1.00 . A A . 50 ASN CB 1 1 11 9826 1 1 50 ASN CG C 11.477 -4.736 -3.341 1.00 . A A . 50 ASN CG 1 1 11 9827 1 1 50 ASN H H 11.819 -2.105 -1.990 1.00 . A A . 50 ASN H 1 1 11 9828 1 1 50 ASN HA H 13.973 -3.488 -3.329 1.00 . A A . 50 ASN HA 1 1 11 9829 1 1 50 ASN HB2 H 11.189 -2.916 -4.393 1.00 . A A . 50 ASN HB2 1 1 11 9830 1 1 50 ASN HB3 H 12.355 -4.002 -5.133 1.00 . A A . 50 ASN HB3 1 1 11 9831 1 1 50 ASN HD21 H 12.779 -5.982 -4.153 1.00 . A A . 50 ASN HD21 1 1 11 9832 1 1 50 ASN HD22 H 11.713 -6.657 -2.979 1.00 . A A . 50 ASN HD22 1 1 11 9833 1 1 50 ASN N N 12.755 -2.185 -2.270 1.00 . A A . 50 ASN N 1 1 11 9834 1 1 50 ASN ND2 N 12.047 -5.903 -3.500 1.00 . A A . 50 ASN ND2 1 1 11 9835 1 1 50 ASN O O 14.462 -2.064 -5.426 1.00 . A A . 50 ASN O 1 1 11 9836 1 1 50 ASN OD1 O 10.557 -4.552 -2.534 1.00 . A A . 50 ASN OD1 1 1 11 9837 1 1 51 CYS C C 14.707 1.474 -4.458 1.00 . A A . 51 CYS C 1 1 11 9838 1 1 51 CYS CA C 13.694 0.592 -5.181 1.00 . A A . 51 CYS CA 1 1 11 9839 1 1 51 CYS CB C 12.472 1.413 -5.630 1.00 . A A . 51 CYS CB 1 1 11 9840 1 1 51 CYS H H 12.680 -0.331 -3.568 1.00 . A A . 51 CYS H 1 1 11 9841 1 1 51 CYS HA H 14.165 0.164 -6.054 1.00 . A A . 51 CYS HA 1 1 11 9842 1 1 51 CYS HB2 H 11.933 1.779 -4.768 1.00 . A A . 51 CYS HB2 1 1 11 9843 1 1 51 CYS HB3 H 12.780 2.253 -6.235 1.00 . A A . 51 CYS HB3 1 1 11 9844 1 1 51 CYS N N 13.275 -0.509 -4.323 1.00 . A A . 51 CYS N 1 1 11 9845 1 1 51 CYS O O 15.182 2.471 -4.995 1.00 . A A . 51 CYS O 1 1 11 9846 1 1 51 CYS SG S 11.289 0.488 -6.624 1.00 . A A . 51 CYS SG 1 1 11 9847 1 1 52 ALA C C 17.431 1.618 -2.927 1.00 . A A . 52 ALA C 1 1 11 9848 1 1 52 ALA CA C 16.006 1.853 -2.432 1.00 . A A . 52 ALA CA 1 1 11 9849 1 1 52 ALA CB C 15.885 1.464 -0.964 1.00 . A A . 52 ALA CB 1 1 11 9850 1 1 52 ALA H H 14.611 0.309 -2.840 1.00 . A A . 52 ALA H 1 1 11 9851 1 1 52 ALA HA H 15.777 2.906 -2.523 1.00 . A A . 52 ALA HA 1 1 11 9852 1 1 52 ALA HB1 H 16.591 2.037 -0.380 1.00 . A A . 52 ALA HB1 1 1 11 9853 1 1 52 ALA HB2 H 16.112 0.412 -0.865 1.00 . A A . 52 ALA HB2 1 1 11 9854 1 1 52 ALA HB3 H 14.880 1.653 -0.613 1.00 . A A . 52 ALA HB3 1 1 11 9855 1 1 52 ALA N N 15.031 1.105 -3.233 1.00 . A A . 52 ALA N 1 1 11 9856 2 2 1 ALA C C 1.253 9.318 -3.832 1.00 . B B . 301 ALA C 1 1 11 9857 2 2 1 ALA CA C 2.674 9.617 -3.345 1.00 . B B . 301 ALA CA 1 1 11 9858 2 2 1 ALA CB C 3.163 8.503 -2.411 1.00 . B B . 301 ALA CB 1 1 11 9859 2 2 1 ALA HA H 3.323 9.650 -4.206 1.00 . B B . 301 ALA HA 1 1 11 9860 2 2 1 ALA HB1 H 2.487 8.414 -1.573 1.00 . B B . 301 ALA HB1 1 1 11 9861 2 2 1 ALA HB2 H 4.162 8.711 -2.051 1.00 . B B . 301 ALA HB2 1 1 11 9862 2 2 1 ALA HB3 H 3.164 7.565 -2.950 1.00 . B B . 301 ALA HB3 1 1 11 9863 2 2 1 ALA N N 2.744 10.953 -2.677 1.00 . B B . 301 ALA N 1 1 11 9864 2 2 1 ALA O O 0.366 10.196 -3.846 1.00 . B B . 301 ALA O 1 1 11 9865 2 2 2 ARG C C -0.797 6.603 -3.800 1.00 . B B . 302 ARG C 1 1 11 9866 2 2 2 ARG CA C -0.229 7.657 -4.749 1.00 . B B . 302 ARG CA 1 1 11 9867 2 2 2 ARG CB C -0.032 7.097 -6.158 1.00 . B B . 302 ARG CB 1 1 11 9868 2 2 2 ARG CD C 0.857 7.529 -8.492 1.00 . B B . 302 ARG CD 1 1 11 9869 2 2 2 ARG CG C 0.440 8.144 -7.164 1.00 . B B . 302 ARG CG 1 1 11 9870 2 2 2 ARG CZ C 2.812 6.243 -9.391 1.00 . B B . 302 ARG CZ 1 1 11 9871 2 2 2 ARG H H 1.805 7.479 -4.235 1.00 . B B . 302 ARG H 1 1 11 9872 2 2 2 ARG HA H -0.898 8.504 -4.794 1.00 . B B . 302 ARG HA 1 1 11 9873 2 2 2 ARG HB2 H 0.719 6.324 -6.113 1.00 . B B . 302 ARG HB2 1 1 11 9874 2 2 2 ARG HB3 H -0.959 6.675 -6.510 1.00 . B B . 302 ARG HB3 1 1 11 9875 2 2 2 ARG HD2 H 0.043 6.933 -8.878 1.00 . B B . 302 ARG HD2 1 1 11 9876 2 2 2 ARG HD3 H 1.075 8.326 -9.186 1.00 . B B . 302 ARG HD3 1 1 11 9877 2 2 2 ARG HE H 2.309 6.427 -7.441 1.00 . B B . 302 ARG HE 1 1 11 9878 2 2 2 ARG HG2 H -0.365 8.847 -7.337 1.00 . B B . 302 ARG HG2 1 1 11 9879 2 2 2 ARG HG3 H 1.276 8.679 -6.734 1.00 . B B . 302 ARG HG3 1 1 11 9880 2 2 2 ARG HH11 H 1.779 7.261 -10.840 1.00 . B B . 302 ARG HH11 1 1 11 9881 2 2 2 ARG HH12 H 3.092 6.357 -11.429 1.00 . B B . 302 ARG HH12 1 1 11 9882 2 2 2 ARG HH21 H 4.125 5.129 -8.249 1.00 . B B . 302 ARG HH21 1 1 11 9883 2 2 2 ARG HH22 H 4.440 5.101 -9.895 1.00 . B B . 302 ARG HH22 1 1 11 9884 2 2 2 ARG N N 1.048 8.104 -4.259 1.00 . B B . 302 ARG N 1 1 11 9885 2 2 2 ARG NE N 2.058 6.677 -8.360 1.00 . B B . 302 ARG NE 1 1 11 9886 2 2 2 ARG NH1 N 2.542 6.642 -10.639 1.00 . B B . 302 ARG NH1 1 1 11 9887 2 2 2 ARG NH2 N 3.852 5.449 -9.166 1.00 . B B . 302 ARG NH2 1 1 11 9888 2 2 2 ARG O O -0.130 5.631 -3.479 1.00 . B B . 302 ARG O 1 1 11 9889 2 2 3 THR C C -4.081 5.589 -2.741 1.00 . B B . 303 THR C 1 1 11 9890 2 2 3 THR CA C -2.627 5.907 -2.366 1.00 . B B . 303 THR CA 1 1 11 9891 2 2 3 THR CB C -2.594 6.541 -0.949 1.00 . B B . 303 THR CB 1 1 11 9892 2 2 3 THR CG2 C -1.190 6.521 -0.378 1.00 . B B . 303 THR CG2 1 1 11 9893 2 2 3 THR H H -2.533 7.589 -3.613 1.00 . B B . 303 THR H 1 1 11 9894 2 2 3 THR HA H -2.049 4.995 -2.337 1.00 . B B . 303 THR HA 1 1 11 9895 2 2 3 THR HB H -3.250 5.971 -0.311 1.00 . B B . 303 THR HB 1 1 11 9896 2 2 3 THR HG1 H -2.590 8.434 -0.389 1.00 . B B . 303 THR HG1 1 1 11 9897 2 2 3 THR HG21 H -0.538 7.071 -1.037 1.00 . B B . 303 THR HG21 1 1 11 9898 2 2 3 THR HG22 H -0.871 5.488 -0.331 1.00 . B B . 303 THR HG22 1 1 11 9899 2 2 3 THR HG23 H -1.188 6.967 0.608 1.00 . B B . 303 THR HG23 1 1 11 9900 2 2 3 THR N N -2.010 6.812 -3.330 1.00 . B B . 303 THR N 1 1 11 9901 2 2 3 THR O O -4.654 6.220 -3.644 1.00 . B B . 303 THR O 1 1 11 9902 2 2 3 THR OG1 O -3.089 7.886 -1.007 1.00 . B B . 303 THR OG1 1 1 11 9903 2 2 4 . C C -6.589 3.398 -1.103 1.00 . B B . 304 M3L C 1 1 11 9904 2 2 4 . CA C -6.080 4.224 -2.271 1.00 . B B . 304 M3L CA 1 1 11 9905 2 2 4 . CB C -6.272 3.358 -3.537 1.00 . B B . 304 M3L CB 1 1 11 9906 2 2 4 . CD C -5.899 1.066 -4.544 1.00 . B B . 304 M3L CD 1 1 11 9907 2 2 4 . CE C -5.701 1.559 -5.932 1.00 . B B . 304 M3L CE 1 1 11 9908 2 2 4 . CG C -5.508 2.081 -3.486 1.00 . B B . 304 M3L CG 1 1 11 9909 2 2 4 . CM1 C -5.046 -0.710 -6.723 1.00 . B B . 304 M3L CM1 1 1 11 9910 2 2 4 . CM2 C -5.557 1.074 -8.282 1.00 . B B . 304 M3L CM2 1 1 11 9911 2 2 4 . CM3 C -7.314 0.007 -7.001 1.00 . B B . 304 M3L CM3 1 1 11 9912 2 2 4 . H H -4.143 4.120 -1.378 1.00 . B B . 304 M3L H 1 1 11 9913 2 2 4 . HA H -6.673 5.121 -2.365 1.00 . B B . 304 M3L HA 1 1 11 9914 2 2 4 . HB2 H -6.016 3.894 -4.437 1.00 . B B . 304 M3L HB2 1 1 11 9915 2 2 4 . HB3 H -7.304 3.047 -3.547 1.00 . B B . 304 M3L HB3 1 1 11 9916 2 2 4 . HD2 H -6.932 0.778 -4.408 1.00 . B B . 304 M3L HD2 1 1 11 9917 2 2 4 . HD3 H -5.245 0.210 -4.443 1.00 . B B . 304 M3L HD3 1 1 11 9918 2 2 4 . HE2 H -4.698 1.948 -6.013 1.00 . B B . 304 M3L HE2 1 1 11 9919 2 2 4 . HE3 H -6.414 2.360 -6.071 1.00 . B B . 304 M3L HE3 1 1 11 9920 2 2 4 . HG2 H -5.697 1.657 -2.508 1.00 . B B . 304 M3L HG2 1 1 11 9921 2 2 4 . HG3 H -4.458 2.304 -3.603 1.00 . B B . 304 M3L HG3 1 1 11 9922 2 2 4 . HM11 H -5.136 -1.481 -7.474 1.00 . B B . 304 M3L HM11 1 1 11 9923 2 2 4 . HM12 H -5.256 -1.234 -5.795 1.00 . B B . 304 M3L HM12 1 1 11 9924 2 2 4 . HM13 H -3.998 -0.436 -6.698 1.00 . B B . 304 M3L HM13 1 1 11 9925 2 2 4 . HM21 H -5.361 0.347 -9.055 1.00 . B B . 304 M3L HM21 1 1 11 9926 2 2 4 . HM22 H -4.662 1.674 -8.165 1.00 . B B . 304 M3L HM22 1 1 11 9927 2 2 4 . HM23 H -6.323 1.744 -8.634 1.00 . B B . 304 M3L HM23 1 1 11 9928 2 2 4 . HM31 H -7.974 0.613 -6.398 1.00 . B B . 304 M3L HM31 1 1 11 9929 2 2 4 . HM32 H -7.414 -1.002 -6.628 1.00 . B B . 304 M3L HM32 1 1 11 9930 2 2 4 . HM33 H -7.755 0.000 -7.988 1.00 . B B . 304 M3L HM33 1 1 11 9931 2 2 4 . N N -4.668 4.604 -2.057 1.00 . B B . 304 M3L N 1 1 11 9932 2 2 4 . NZ N -5.916 0.477 -6.982 1.00 . B B . 304 M3L NZ 1 1 11 9933 2 2 4 . O O -5.830 3.089 -0.173 1.00 . B B . 304 M3L O 1 1 11 9934 2 2 5 GLN C C -9.551 1.327 -1.064 1.00 . B B . 305 GLN C 1 1 11 9935 2 2 5 GLN CA C -8.542 2.119 -0.277 1.00 . B B . 305 GLN CA 1 1 11 9936 2 2 5 GLN CB C -9.259 2.828 0.888 1.00 . B B . 305 GLN CB 1 1 11 9937 2 2 5 GLN CD C -9.085 4.189 2.996 1.00 . B B . 305 GLN CD 1 1 11 9938 2 2 5 GLN CG C -8.346 3.543 1.847 1.00 . B B . 305 GLN CG 1 1 11 9939 2 2 5 GLN H H -8.383 3.384 -1.952 1.00 . B B . 305 GLN H 1 1 11 9940 2 2 5 GLN HA H -7.799 1.439 0.110 1.00 . B B . 305 GLN HA 1 1 11 9941 2 2 5 GLN HB2 H -9.945 3.554 0.478 1.00 . B B . 305 GLN HB2 1 1 11 9942 2 2 5 GLN HB3 H -9.829 2.090 1.439 1.00 . B B . 305 GLN HB3 1 1 11 9943 2 2 5 GLN HE21 H -8.777 2.584 4.081 1.00 . B B . 305 GLN HE21 1 1 11 9944 2 2 5 GLN HE22 H -9.627 3.834 4.881 1.00 . B B . 305 GLN HE22 1 1 11 9945 2 2 5 GLN HG2 H -7.666 2.802 2.242 1.00 . B B . 305 GLN HG2 1 1 11 9946 2 2 5 GLN HG3 H -7.793 4.275 1.284 1.00 . B B . 305 GLN HG3 1 1 11 9947 2 2 5 GLN N N -7.863 3.029 -1.196 1.00 . B B . 305 GLN N 1 1 11 9948 2 2 5 GLN NE2 N -9.188 3.474 4.085 1.00 . B B . 305 GLN NE2 1 1 11 9949 2 2 5 GLN O O -10.392 1.901 -1.744 1.00 . B B . 305 GLN O 1 1 11 9950 2 2 5 GLN OE1 O -9.537 5.340 2.916 1.00 . B B . 305 GLN OE1 1 1 11 9951 2 2 6 THR C C -11.465 -1.296 -0.798 1.00 . B B . 306 THR C 1 1 11 9952 2 2 6 THR CA C -10.385 -0.796 -1.738 1.00 . B B . 306 THR CA 1 1 11 9953 2 2 6 THR CB C -9.656 -1.986 -2.381 1.00 . B B . 306 THR CB 1 1 11 9954 2 2 6 THR CG2 C -8.629 -1.486 -3.412 1.00 . B B . 306 THR CG2 1 1 11 9955 2 2 6 THR H H -8.752 -0.373 -0.473 1.00 . B B . 306 THR H 1 1 11 9956 2 2 6 THR HA H -10.830 -0.198 -2.519 1.00 . B B . 306 THR HA 1 1 11 9957 2 2 6 THR HB H -10.381 -2.614 -2.874 1.00 . B B . 306 THR HB 1 1 11 9958 2 2 6 THR HG1 H -9.639 -2.847 -0.637 1.00 . B B . 306 THR HG1 1 1 11 9959 2 2 6 THR HG21 H -8.120 -2.323 -3.870 1.00 . B B . 306 THR HG21 1 1 11 9960 2 2 6 THR HG22 H -7.893 -0.879 -2.892 1.00 . B B . 306 THR HG22 1 1 11 9961 2 2 6 THR HG23 H -9.116 -0.896 -4.173 1.00 . B B . 306 THR HG23 1 1 11 9962 2 2 6 THR N N -9.459 0.038 -1.016 1.00 . B B . 306 THR N 1 1 11 9963 2 2 6 THR O O -11.152 -1.777 0.294 1.00 . B B . 306 THR O 1 1 11 9964 2 2 6 THR OG1 O -8.980 -2.736 -1.340 1.00 . B B . 306 THR OG1 1 1 11 9965 2 2 7 ALA C C -14.302 -2.968 -0.848 1.00 . B B . 307 ALA C 1 1 11 9966 2 2 7 ALA CA C -13.823 -1.598 -0.400 1.00 . B B . 307 ALA CA 1 1 11 9967 2 2 7 ALA CB C -14.960 -0.570 -0.442 1.00 . B B . 307 ALA CB 1 1 11 9968 2 2 7 ALA H H -12.891 -0.805 -2.097 1.00 . B B . 307 ALA H 1 1 11 9969 2 2 7 ALA HA H -13.469 -1.683 0.619 1.00 . B B . 307 ALA HA 1 1 11 9970 2 2 7 ALA HB1 H -15.771 -0.914 0.184 1.00 . B B . 307 ALA HB1 1 1 11 9971 2 2 7 ALA HB2 H -15.304 -0.435 -1.458 1.00 . B B . 307 ALA HB2 1 1 11 9972 2 2 7 ALA HB3 H -14.599 0.371 -0.052 1.00 . B B . 307 ALA HB3 1 1 11 9973 2 2 7 ALA N N -12.707 -1.172 -1.205 1.00 . B B . 307 ALA N 1 1 11 9974 2 2 7 ALA O O -14.705 -3.157 -1.996 1.00 . B B . 307 ALA O 1 1 11 9975 2 2 8 ARG C C -16.130 -5.468 0.179 1.00 . B B . 308 ARG C 1 1 11 9976 2 2 8 ARG CA C -14.662 -5.286 -0.200 1.00 . B B . 308 ARG CA 1 1 11 9977 2 2 8 ARG CB C -13.791 -6.279 0.587 1.00 . B B . 308 ARG CB 1 1 11 9978 2 2 8 ARG CD C -12.124 -6.794 -1.251 1.00 . B B . 308 ARG CD 1 1 11 9979 2 2 8 ARG CG C -12.318 -6.292 0.178 1.00 . B B . 308 ARG CG 1 1 11 9980 2 2 8 ARG CZ C -12.303 -8.976 -2.465 1.00 . B B . 308 ARG CZ 1 1 11 9981 2 2 8 ARG H H -13.849 -3.658 0.932 1.00 . B B . 308 ARG H 1 1 11 9982 2 2 8 ARG HA H -14.548 -5.489 -1.257 1.00 . B B . 308 ARG HA 1 1 11 9983 2 2 8 ARG HB2 H -13.835 -6.014 1.632 1.00 . B B . 308 ARG HB2 1 1 11 9984 2 2 8 ARG HB3 H -14.194 -7.272 0.452 1.00 . B B . 308 ARG HB3 1 1 11 9985 2 2 8 ARG HD2 H -12.696 -6.173 -1.926 1.00 . B B . 308 ARG HD2 1 1 11 9986 2 2 8 ARG HD3 H -11.073 -6.727 -1.493 1.00 . B B . 308 ARG HD3 1 1 11 9987 2 2 8 ARG HE H -13.064 -8.533 -0.630 1.00 . B B . 308 ARG HE 1 1 11 9988 2 2 8 ARG HG2 H -11.933 -5.287 0.249 1.00 . B B . 308 ARG HG2 1 1 11 9989 2 2 8 ARG HG3 H -11.782 -6.936 0.856 1.00 . B B . 308 ARG HG3 1 1 11 9990 2 2 8 ARG HH11 H -11.270 -7.573 -3.591 1.00 . B B . 308 ARG HH11 1 1 11 9991 2 2 8 ARG HH12 H -11.417 -9.106 -4.306 1.00 . B B . 308 ARG HH12 1 1 11 9992 2 2 8 ARG HH21 H -13.247 -10.675 -1.746 1.00 . B B . 308 ARG HH21 1 1 11 9993 2 2 8 ARG HH22 H -12.550 -10.813 -3.271 1.00 . B B . 308 ARG HH22 1 1 11 9994 2 2 8 ARG N N -14.226 -3.917 0.055 1.00 . B B . 308 ARG N 1 1 11 9995 2 2 8 ARG NE N -12.559 -8.189 -1.399 1.00 . B B . 308 ARG NE 1 1 11 9996 2 2 8 ARG NH1 N -11.623 -8.512 -3.519 1.00 . B B . 308 ARG NH1 1 1 11 9997 2 2 8 ARG NH2 N -12.730 -10.225 -2.480 1.00 . B B . 308 ARG NH2 1 1 11 9998 2 2 8 ARG O O -16.848 -6.250 -0.436 1.00 . B B . 308 ARG O 1 1 11 9999 2 2 9 LYS C C -18.592 -3.436 1.850 1.00 . B B . 309 LYS C 1 1 11 10000 2 2 9 LYS CA C -17.974 -4.827 1.661 1.00 . B B . 309 LYS CA 1 1 11 10001 2 2 9 LYS CB C -18.117 -5.670 2.945 1.00 . B B . 309 LYS CB 1 1 11 10002 2 2 9 LYS CD C -17.912 -7.937 4.033 1.00 . B B . 309 LYS CD 1 1 11 10003 2 2 9 LYS CE C -17.585 -9.408 3.786 1.00 . B B . 309 LYS CE 1 1 11 10004 2 2 9 LYS CG C -17.734 -7.131 2.764 1.00 . B B . 309 LYS CG 1 1 11 10005 2 2 9 LYS H H -15.942 -4.186 1.707 1.00 . B B . 309 LYS H 1 1 11 10006 2 2 9 LYS HA H -18.534 -5.311 0.875 1.00 . B B . 309 LYS HA 1 1 11 10007 2 2 9 LYS HB2 H -17.486 -5.254 3.718 1.00 . B B . 309 LYS HB2 1 1 11 10008 2 2 9 LYS HB3 H -19.148 -5.634 3.268 1.00 . B B . 309 LYS HB3 1 1 11 10009 2 2 9 LYS HD2 H -17.236 -7.538 4.774 1.00 . B B . 309 LYS HD2 1 1 11 10010 2 2 9 LYS HD3 H -18.932 -7.846 4.383 1.00 . B B . 309 LYS HD3 1 1 11 10011 2 2 9 LYS HE2 H -18.235 -9.775 3.010 1.00 . B B . 309 LYS HE2 1 1 11 10012 2 2 9 LYS HE3 H -16.561 -9.483 3.453 1.00 . B B . 309 LYS HE3 1 1 11 10013 2 2 9 LYS HG2 H -18.335 -7.573 1.982 1.00 . B B . 309 LYS HG2 1 1 11 10014 2 2 9 LYS HG3 H -16.699 -7.171 2.463 1.00 . B B . 309 LYS HG3 1 1 11 10015 2 2 9 LYS HZ1 H -18.719 -10.102 5.395 1.00 . B B . 309 LYS HZ1 1 1 11 10016 2 2 9 LYS HZ2 H -17.089 -9.976 5.749 1.00 . B B . 309 LYS HZ2 1 1 11 10017 2 2 9 LYS HZ3 H -17.666 -11.248 4.796 1.00 . B B . 309 LYS HZ3 1 1 11 10018 2 2 9 LYS N N -16.567 -4.762 1.213 1.00 . B B . 309 LYS N 1 1 11 10019 2 2 9 LYS NZ N -17.765 -10.235 5.002 1.00 . B B . 309 LYS NZ 1 1 11 10020 3 3 1 ZN ZN ZN 9.384 0.126 -5.401 1.00 . C A . 53 ZN ZN 1 1 11 10021 4 3 1 ZN ZN ZN 0.591 -5.661 1.334 1.00 . D A . 54 ZN ZN 1 1 12 10022 1 1 1 SER C C -5.121 -8.410 -1.723 1.00 . A A . 1 SER C 1 1 12 10023 1 1 1 SER CA C -6.564 -8.471 -2.264 1.00 . A A . 1 SER CA 1 1 12 10024 1 1 1 SER CB C -7.171 -7.064 -2.332 1.00 . A A . 1 SER CB 1 1 12 10025 1 1 1 SER HA H -6.538 -8.895 -3.259 1.00 . A A . 1 SER HA 1 1 12 10026 1 1 1 SER HB2 H -7.175 -6.632 -1.341 1.00 . A A . 1 SER HB2 1 1 12 10027 1 1 1 SER HB3 H -6.586 -6.441 -2.992 1.00 . A A . 1 SER HB3 1 1 12 10028 1 1 1 SER HG H -8.806 -8.016 -2.614 1.00 . A A . 1 SER HG 1 1 12 10029 1 1 1 SER N N -7.421 -9.339 -1.419 1.00 . A A . 1 SER N 1 1 12 10030 1 1 1 SER O O -4.858 -7.872 -0.617 1.00 . A A . 1 SER O 1 1 12 10031 1 1 1 SER OG O -8.512 -7.119 -2.810 1.00 . A A . 1 SER OG 1 1 12 10032 1 1 2 VAL C C -2.054 -7.939 -2.929 1.00 . A A . 2 VAL C 1 1 12 10033 1 1 2 VAL CA C -2.810 -8.971 -2.110 1.00 . A A . 2 VAL CA 1 1 12 10034 1 1 2 VAL CB C -2.177 -10.353 -2.393 1.00 . A A . 2 VAL CB 1 1 12 10035 1 1 2 VAL CG1 C -0.792 -10.479 -1.752 1.00 . A A . 2 VAL CG1 1 1 12 10036 1 1 2 VAL CG2 C -3.088 -11.492 -1.983 1.00 . A A . 2 VAL CG2 1 1 12 10037 1 1 2 VAL H H -4.429 -9.266 -3.393 1.00 . A A . 2 VAL H 1 1 12 10038 1 1 2 VAL HA H -2.750 -8.742 -1.050 1.00 . A A . 2 VAL HA 1 1 12 10039 1 1 2 VAL HB H -2.027 -10.403 -3.463 1.00 . A A . 2 VAL HB 1 1 12 10040 1 1 2 VAL HG11 H -0.856 -10.347 -0.680 1.00 . A A . 2 VAL HG11 1 1 12 10041 1 1 2 VAL HG12 H -0.137 -9.715 -2.146 1.00 . A A . 2 VAL HG12 1 1 12 10042 1 1 2 VAL HG13 H -0.383 -11.454 -1.970 1.00 . A A . 2 VAL HG13 1 1 12 10043 1 1 2 VAL HG21 H -3.250 -11.465 -0.918 1.00 . A A . 2 VAL HG21 1 1 12 10044 1 1 2 VAL HG22 H -2.610 -12.424 -2.242 1.00 . A A . 2 VAL HG22 1 1 12 10045 1 1 2 VAL HG23 H -4.041 -11.412 -2.484 1.00 . A A . 2 VAL HG23 1 1 12 10046 1 1 2 VAL N N -4.191 -8.916 -2.502 1.00 . A A . 2 VAL N 1 1 12 10047 1 1 2 VAL O O -2.356 -7.730 -4.106 1.00 . A A . 2 VAL O 1 1 12 10048 1 1 3 CYS C C 1.039 -6.899 -3.195 1.00 . A A . 3 CYS C 1 1 12 10049 1 1 3 CYS CA C -0.334 -6.276 -2.950 1.00 . A A . 3 CYS CA 1 1 12 10050 1 1 3 CYS CB C -0.137 -5.119 -2.016 1.00 . A A . 3 CYS CB 1 1 12 10051 1 1 3 CYS H H -0.892 -7.534 -1.391 1.00 . A A . 3 CYS H 1 1 12 10052 1 1 3 CYS HA H -0.807 -5.961 -3.865 1.00 . A A . 3 CYS HA 1 1 12 10053 1 1 3 CYS HB2 H 0.042 -4.210 -2.574 1.00 . A A . 3 CYS HB2 1 1 12 10054 1 1 3 CYS HB3 H -1.027 -4.991 -1.414 1.00 . A A . 3 CYS HB3 1 1 12 10055 1 1 3 CYS N N -1.120 -7.297 -2.310 1.00 . A A . 3 CYS N 1 1 12 10056 1 1 3 CYS O O 1.280 -8.025 -2.747 1.00 . A A . 3 CYS O 1 1 12 10057 1 1 3 CYS SG S 1.238 -5.406 -0.892 1.00 . A A . 3 CYS SG 1 1 12 10058 1 1 4 ALA C C 4.311 -6.208 -3.124 1.00 . A A . 4 ALA C 1 1 12 10059 1 1 4 ALA CA C 3.233 -6.836 -4.011 1.00 . A A . 4 ALA CA 1 1 12 10060 1 1 4 ALA CB C 3.662 -6.795 -5.440 1.00 . A A . 4 ALA CB 1 1 12 10061 1 1 4 ALA H H 1.613 -5.317 -4.121 1.00 . A A . 4 ALA H 1 1 12 10062 1 1 4 ALA HA H 3.127 -7.873 -3.731 1.00 . A A . 4 ALA HA 1 1 12 10063 1 1 4 ALA HB1 H 4.594 -7.330 -5.530 1.00 . A A . 4 ALA HB1 1 1 12 10064 1 1 4 ALA HB2 H 3.806 -5.746 -5.644 1.00 . A A . 4 ALA HB2 1 1 12 10065 1 1 4 ALA HB3 H 2.894 -7.214 -6.073 1.00 . A A . 4 ALA HB3 1 1 12 10066 1 1 4 ALA N N 1.942 -6.205 -3.860 1.00 . A A . 4 ALA N 1 1 12 10067 1 1 4 ALA O O 5.199 -5.489 -3.583 1.00 . A A . 4 ALA O 1 1 12 10068 1 1 5 ALA C C 5.868 -7.561 -0.489 1.00 . A A . 5 ALA C 1 1 12 10069 1 1 5 ALA CA C 5.259 -6.230 -0.907 1.00 . A A . 5 ALA CA 1 1 12 10070 1 1 5 ALA CB C 4.782 -5.437 0.313 1.00 . A A . 5 ALA CB 1 1 12 10071 1 1 5 ALA H H 3.245 -6.323 -1.548 1.00 . A A . 5 ALA H 1 1 12 10072 1 1 5 ALA HA H 6.009 -5.641 -1.414 1.00 . A A . 5 ALA HA 1 1 12 10073 1 1 5 ALA HB1 H 4.317 -4.519 -0.013 1.00 . A A . 5 ALA HB1 1 1 12 10074 1 1 5 ALA HB2 H 5.634 -5.174 0.920 1.00 . A A . 5 ALA HB2 1 1 12 10075 1 1 5 ALA HB3 H 4.083 -5.996 0.916 1.00 . A A . 5 ALA HB3 1 1 12 10076 1 1 5 ALA N N 4.162 -6.418 -1.838 1.00 . A A . 5 ALA N 1 1 12 10077 1 1 5 ALA O O 5.149 -8.532 -0.259 1.00 . A A . 5 ALA O 1 1 12 10078 1 1 6 GLN C C 7.455 -9.598 1.098 1.00 . A A . 6 GLN C 1 1 12 10079 1 1 6 GLN CA C 8.018 -8.772 -0.064 1.00 . A A . 6 GLN CA 1 1 12 10080 1 1 6 GLN CB C 9.442 -8.320 0.293 1.00 . A A . 6 GLN CB 1 1 12 10081 1 1 6 GLN CD C 10.619 -10.394 -0.537 1.00 . A A . 6 GLN CD 1 1 12 10082 1 1 6 GLN CG C 10.403 -9.456 0.630 1.00 . A A . 6 GLN CG 1 1 12 10083 1 1 6 GLN H H 7.704 -6.771 -0.630 1.00 . A A . 6 GLN H 1 1 12 10084 1 1 6 GLN HA H 8.087 -9.403 -0.935 1.00 . A A . 6 GLN HA 1 1 12 10085 1 1 6 GLN HB2 H 9.860 -7.770 -0.539 1.00 . A A . 6 GLN HB2 1 1 12 10086 1 1 6 GLN HB3 H 9.378 -7.670 1.154 1.00 . A A . 6 GLN HB3 1 1 12 10087 1 1 6 GLN HE21 H 9.112 -11.563 0.032 1.00 . A A . 6 GLN HE21 1 1 12 10088 1 1 6 GLN HE22 H 9.957 -12.027 -1.395 1.00 . A A . 6 GLN HE22 1 1 12 10089 1 1 6 GLN HG2 H 11.355 -9.034 0.912 1.00 . A A . 6 GLN HG2 1 1 12 10090 1 1 6 GLN HG3 H 10.001 -10.018 1.458 1.00 . A A . 6 GLN HG3 1 1 12 10091 1 1 6 GLN N N 7.208 -7.579 -0.395 1.00 . A A . 6 GLN N 1 1 12 10092 1 1 6 GLN NE2 N 9.821 -11.423 -0.635 1.00 . A A . 6 GLN NE2 1 1 12 10093 1 1 6 GLN O O 7.333 -10.810 0.989 1.00 . A A . 6 GLN O 1 1 12 10094 1 1 6 GLN OE1 O 11.517 -10.188 -1.339 1.00 . A A . 6 GLN OE1 1 1 12 10095 1 1 7 ASN C C 5.242 -9.146 3.660 1.00 . A A . 7 ASN C 1 1 12 10096 1 1 7 ASN CA C 6.576 -9.717 3.296 1.00 . A A . 7 ASN CA 1 1 12 10097 1 1 7 ASN CB C 7.532 -9.813 4.499 1.00 . A A . 7 ASN CB 1 1 12 10098 1 1 7 ASN CG C 7.021 -10.722 5.610 1.00 . A A . 7 ASN CG 1 1 12 10099 1 1 7 ASN H H 7.370 -8.019 2.223 1.00 . A A . 7 ASN H 1 1 12 10100 1 1 7 ASN HA H 6.383 -10.715 2.924 1.00 . A A . 7 ASN HA 1 1 12 10101 1 1 7 ASN HB2 H 8.483 -10.203 4.169 1.00 . A A . 7 ASN HB2 1 1 12 10102 1 1 7 ASN HB3 H 7.687 -8.829 4.918 1.00 . A A . 7 ASN HB3 1 1 12 10103 1 1 7 ASN HD21 H 6.217 -9.179 6.556 1.00 . A A . 7 ASN HD21 1 1 12 10104 1 1 7 ASN HD22 H 6.061 -10.725 7.323 1.00 . A A . 7 ASN HD22 1 1 12 10105 1 1 7 ASN N N 7.155 -8.974 2.196 1.00 . A A . 7 ASN N 1 1 12 10106 1 1 7 ASN ND2 N 6.362 -10.152 6.588 1.00 . A A . 7 ASN ND2 1 1 12 10107 1 1 7 ASN O O 5.103 -8.381 4.606 1.00 . A A . 7 ASN O 1 1 12 10108 1 1 7 ASN OD1 O 7.259 -11.927 5.591 1.00 . A A . 7 ASN OD1 1 1 12 10109 1 1 8 CYS C C 2.009 -9.929 3.679 1.00 . A A . 8 CYS C 1 1 12 10110 1 1 8 CYS CA C 2.964 -8.936 2.993 1.00 . A A . 8 CYS CA 1 1 12 10111 1 1 8 CYS CB C 2.374 -8.478 1.649 1.00 . A A . 8 CYS CB 1 1 12 10112 1 1 8 CYS H H 4.454 -10.007 2.046 1.00 . A A . 8 CYS H 1 1 12 10113 1 1 8 CYS HA H 3.037 -8.060 3.619 1.00 . A A . 8 CYS HA 1 1 12 10114 1 1 8 CYS HB2 H 2.953 -7.685 1.209 1.00 . A A . 8 CYS HB2 1 1 12 10115 1 1 8 CYS HB3 H 2.384 -9.316 0.968 1.00 . A A . 8 CYS HB3 1 1 12 10116 1 1 8 CYS N N 4.284 -9.432 2.823 1.00 . A A . 8 CYS N 1 1 12 10117 1 1 8 CYS O O 2.140 -11.144 3.559 1.00 . A A . 8 CYS O 1 1 12 10118 1 1 8 CYS SG S 0.667 -7.931 1.789 1.00 . A A . 8 CYS SG 1 1 12 10119 1 1 9 GLN C C -1.319 -9.558 4.294 1.00 . A A . 9 GLN C 1 1 12 10120 1 1 9 GLN CA C -0.057 -10.067 4.937 1.00 . A A . 9 GLN CA 1 1 12 10121 1 1 9 GLN CB C -0.133 -10.036 6.475 1.00 . A A . 9 GLN CB 1 1 12 10122 1 1 9 GLN CD C 0.840 -12.360 6.723 1.00 . A A . 9 GLN CD 1 1 12 10123 1 1 9 GLN CG C 0.927 -10.891 7.150 1.00 . A A . 9 GLN CG 1 1 12 10124 1 1 9 GLN H H 1.308 -8.412 4.413 1.00 . A A . 9 GLN H 1 1 12 10125 1 1 9 GLN HA H 0.048 -11.092 4.607 1.00 . A A . 9 GLN HA 1 1 12 10126 1 1 9 GLN HB2 H -0.022 -9.019 6.823 1.00 . A A . 9 GLN HB2 1 1 12 10127 1 1 9 GLN HB3 H -1.103 -10.406 6.773 1.00 . A A . 9 GLN HB3 1 1 12 10128 1 1 9 GLN HE21 H 2.769 -12.586 7.047 1.00 . A A . 9 GLN HE21 1 1 12 10129 1 1 9 GLN HE22 H 1.933 -13.990 6.492 1.00 . A A . 9 GLN HE22 1 1 12 10130 1 1 9 GLN HG2 H 1.910 -10.519 6.896 1.00 . A A . 9 GLN HG2 1 1 12 10131 1 1 9 GLN HG3 H 0.792 -10.835 8.222 1.00 . A A . 9 GLN HG3 1 1 12 10132 1 1 9 GLN N N 1.070 -9.358 4.394 1.00 . A A . 9 GLN N 1 1 12 10133 1 1 9 GLN NE2 N 1.957 -13.046 6.753 1.00 . A A . 9 GLN NE2 1 1 12 10134 1 1 9 GLN O O -1.435 -8.361 3.991 1.00 . A A . 9 GLN O 1 1 12 10135 1 1 9 GLN OE1 O -0.237 -12.868 6.382 1.00 . A A . 9 GLN OE1 1 1 12 10136 1 1 10 ARG C C -4.536 -9.792 4.421 1.00 . A A . 10 ARG C 1 1 12 10137 1 1 10 ARG CA C -3.476 -10.173 3.403 1.00 . A A . 10 ARG CA 1 1 12 10138 1 1 10 ARG CB C -3.920 -11.437 2.656 1.00 . A A . 10 ARG CB 1 1 12 10139 1 1 10 ARG CD C -3.367 -13.227 0.974 1.00 . A A . 10 ARG CD 1 1 12 10140 1 1 10 ARG CG C -2.895 -11.953 1.659 1.00 . A A . 10 ARG CG 1 1 12 10141 1 1 10 ARG CZ C -4.225 -15.463 1.649 1.00 . A A . 10 ARG CZ 1 1 12 10142 1 1 10 ARG H H -2.209 -11.347 4.434 1.00 . A A . 10 ARG H 1 1 12 10143 1 1 10 ARG HA H -3.322 -9.382 2.686 1.00 . A A . 10 ARG HA 1 1 12 10144 1 1 10 ARG HB2 H -4.119 -12.214 3.378 1.00 . A A . 10 ARG HB2 1 1 12 10145 1 1 10 ARG HB3 H -4.834 -11.223 2.120 1.00 . A A . 10 ARG HB3 1 1 12 10146 1 1 10 ARG HD2 H -4.336 -13.042 0.534 1.00 . A A . 10 ARG HD2 1 1 12 10147 1 1 10 ARG HD3 H -2.659 -13.492 0.198 1.00 . A A . 10 ARG HD3 1 1 12 10148 1 1 10 ARG HE H -3.003 -14.282 2.745 1.00 . A A . 10 ARG HE 1 1 12 10149 1 1 10 ARG HG2 H -2.696 -11.196 0.916 1.00 . A A . 10 ARG HG2 1 1 12 10150 1 1 10 ARG HG3 H -1.982 -12.166 2.197 1.00 . A A . 10 ARG HG3 1 1 12 10151 1 1 10 ARG HH11 H -4.948 -14.845 -0.173 1.00 . A A . 10 ARG HH11 1 1 12 10152 1 1 10 ARG HH12 H -5.484 -16.379 0.320 1.00 . A A . 10 ARG HH12 1 1 12 10153 1 1 10 ARG HH21 H -3.725 -16.422 3.378 1.00 . A A . 10 ARG HH21 1 1 12 10154 1 1 10 ARG HH22 H -4.768 -17.293 2.368 1.00 . A A . 10 ARG HH22 1 1 12 10155 1 1 10 ARG N N -2.246 -10.443 4.084 1.00 . A A . 10 ARG N 1 1 12 10156 1 1 10 ARG NE N -3.505 -14.359 1.900 1.00 . A A . 10 ARG NE 1 1 12 10157 1 1 10 ARG NH1 N -4.929 -15.566 0.518 1.00 . A A . 10 ARG NH1 1 1 12 10158 1 1 10 ARG NH2 N -4.238 -16.456 2.518 1.00 . A A . 10 ARG NH2 1 1 12 10159 1 1 10 ARG O O -5.021 -10.643 5.154 1.00 . A A . 10 ARG O 1 1 12 10160 1 1 11 PRO C C -7.299 -8.467 4.969 1.00 . A A . 11 PRO C 1 1 12 10161 1 1 11 PRO CA C -5.900 -8.060 5.454 1.00 . A A . 11 PRO CA 1 1 12 10162 1 1 11 PRO CB C -5.756 -6.539 5.468 1.00 . A A . 11 PRO CB 1 1 12 10163 1 1 11 PRO CD C -4.288 -7.409 3.744 1.00 . A A . 11 PRO CD 1 1 12 10164 1 1 11 PRO CG C -5.069 -6.190 4.183 1.00 . A A . 11 PRO CG 1 1 12 10165 1 1 11 PRO HA H -5.719 -8.466 6.440 1.00 . A A . 11 PRO HA 1 1 12 10166 1 1 11 PRO HB2 H -6.733 -6.084 5.513 1.00 . A A . 11 PRO HB2 1 1 12 10167 1 1 11 PRO HB3 H -5.173 -6.229 6.319 1.00 . A A . 11 PRO HB3 1 1 12 10168 1 1 11 PRO HD2 H -4.361 -7.594 2.676 1.00 . A A . 11 PRO HD2 1 1 12 10169 1 1 11 PRO HD3 H -3.245 -7.286 4.000 1.00 . A A . 11 PRO HD3 1 1 12 10170 1 1 11 PRO HG2 H -5.808 -5.942 3.433 1.00 . A A . 11 PRO HG2 1 1 12 10171 1 1 11 PRO HG3 H -4.408 -5.352 4.349 1.00 . A A . 11 PRO HG3 1 1 12 10172 1 1 11 PRO N N -4.878 -8.506 4.519 1.00 . A A . 11 PRO N 1 1 12 10173 1 1 11 PRO O O -8.079 -9.029 5.714 1.00 . A A . 11 PRO O 1 1 12 10174 1 1 12 CYS C C -10.075 -7.890 3.669 1.00 . A A . 12 CYS C 1 1 12 10175 1 1 12 CYS CA C -8.813 -8.470 2.998 1.00 . A A . 12 CYS CA 1 1 12 10176 1 1 12 CYS CB C -8.934 -9.988 2.785 1.00 . A A . 12 CYS CB 1 1 12 10177 1 1 12 CYS H H -6.876 -7.678 3.202 1.00 . A A . 12 CYS H 1 1 12 10178 1 1 12 CYS HA H -8.732 -7.995 2.032 1.00 . A A . 12 CYS HA 1 1 12 10179 1 1 12 CYS HB2 H -8.977 -10.483 3.744 1.00 . A A . 12 CYS HB2 1 1 12 10180 1 1 12 CYS HB3 H -9.846 -10.202 2.244 1.00 . A A . 12 CYS HB3 1 1 12 10181 1 1 12 CYS HG H -7.753 -12.027 1.872 1.00 . A A . 12 CYS HG 1 1 12 10182 1 1 12 CYS N N -7.573 -8.144 3.701 1.00 . A A . 12 CYS N 1 1 12 10183 1 1 12 CYS O O -11.199 -8.289 3.330 1.00 . A A . 12 CYS O 1 1 12 10184 1 1 12 CYS SG S -7.548 -10.713 1.857 1.00 . A A . 12 CYS SG 1 1 12 10185 1 1 13 LYS C C -11.752 -5.360 4.260 1.00 . A A . 13 LYS C 1 1 12 10186 1 1 13 LYS CA C -11.004 -6.258 5.243 1.00 . A A . 13 LYS CA 1 1 12 10187 1 1 13 LYS CB C -10.511 -5.424 6.433 1.00 . A A . 13 LYS CB 1 1 12 10188 1 1 13 LYS CD C -9.481 -5.289 8.663 1.00 . A A . 13 LYS CD 1 1 12 10189 1 1 13 LYS CE C -9.050 -6.077 9.866 1.00 . A A . 13 LYS CE 1 1 12 10190 1 1 13 LYS CG C -9.851 -6.209 7.523 1.00 . A A . 13 LYS CG 1 1 12 10191 1 1 13 LYS H H -8.976 -6.652 4.790 1.00 . A A . 13 LYS H 1 1 12 10192 1 1 13 LYS HA H -11.691 -7.011 5.600 1.00 . A A . 13 LYS HA 1 1 12 10193 1 1 13 LYS HB2 H -9.807 -4.679 6.098 1.00 . A A . 13 LYS HB2 1 1 12 10194 1 1 13 LYS HB3 H -11.349 -4.912 6.881 1.00 . A A . 13 LYS HB3 1 1 12 10195 1 1 13 LYS HD2 H -8.666 -4.650 8.353 1.00 . A A . 13 LYS HD2 1 1 12 10196 1 1 13 LYS HD3 H -10.334 -4.684 8.932 1.00 . A A . 13 LYS HD3 1 1 12 10197 1 1 13 LYS HE2 H -9.890 -6.717 10.098 1.00 . A A . 13 LYS HE2 1 1 12 10198 1 1 13 LYS HE3 H -8.187 -6.677 9.616 1.00 . A A . 13 LYS HE3 1 1 12 10199 1 1 13 LYS HG2 H -10.520 -6.984 7.866 1.00 . A A . 13 LYS HG2 1 1 12 10200 1 1 13 LYS HG3 H -8.949 -6.662 7.137 1.00 . A A . 13 LYS HG3 1 1 12 10201 1 1 13 LYS HZ1 H -9.596 -4.655 11.311 1.00 . A A . 13 LYS HZ1 1 1 12 10202 1 1 13 LYS HZ2 H -7.995 -4.517 10.838 1.00 . A A . 13 LYS HZ2 1 1 12 10203 1 1 13 LYS HZ3 H -8.476 -5.743 11.858 1.00 . A A . 13 LYS HZ3 1 1 12 10204 1 1 13 LYS N N -9.889 -6.925 4.574 1.00 . A A . 13 LYS N 1 1 12 10205 1 1 13 LYS NZ N -8.757 -5.197 11.018 1.00 . A A . 13 LYS NZ 1 1 12 10206 1 1 13 LYS O O -11.361 -5.255 3.091 1.00 . A A . 13 LYS O 1 1 12 10207 1 1 14 ASP C C -12.792 -2.677 3.340 1.00 . A A . 14 ASP C 1 1 12 10208 1 1 14 ASP CA C -13.619 -3.840 3.886 1.00 . A A . 14 ASP CA 1 1 12 10209 1 1 14 ASP CB C -14.861 -3.325 4.637 1.00 . A A . 14 ASP CB 1 1 12 10210 1 1 14 ASP CG C -15.789 -4.436 5.089 1.00 . A A . 14 ASP CG 1 1 12 10211 1 1 14 ASP H H -13.060 -4.779 5.675 1.00 . A A . 14 ASP H 1 1 12 10212 1 1 14 ASP HA H -13.942 -4.446 3.053 1.00 . A A . 14 ASP HA 1 1 12 10213 1 1 14 ASP HB2 H -14.543 -2.786 5.513 1.00 . A A . 14 ASP HB2 1 1 12 10214 1 1 14 ASP HB3 H -15.422 -2.658 3.999 1.00 . A A . 14 ASP HB3 1 1 12 10215 1 1 14 ASP N N -12.802 -4.708 4.731 1.00 . A A . 14 ASP N 1 1 12 10216 1 1 14 ASP O O -12.441 -2.651 2.160 1.00 . A A . 14 ASP O 1 1 12 10217 1 1 14 ASP OD1 O -15.614 -4.950 6.218 1.00 . A A . 14 ASP OD1 1 1 12 10218 1 1 14 ASP OD2 O -16.710 -4.804 4.328 1.00 . A A . 14 ASP OD2 1 1 12 10219 1 1 15 LYS C C -10.169 -0.873 4.017 1.00 . A A . 15 LYS C 1 1 12 10220 1 1 15 LYS CA C -11.634 -0.644 3.726 1.00 . A A . 15 LYS CA 1 1 12 10221 1 1 15 LYS CB C -12.121 0.725 4.202 1.00 . A A . 15 LYS CB 1 1 12 10222 1 1 15 LYS CD C -13.862 2.561 3.955 1.00 . A A . 15 LYS CD 1 1 12 10223 1 1 15 LYS CE C -14.476 2.485 5.327 1.00 . A A . 15 LYS CE 1 1 12 10224 1 1 15 LYS CG C -13.390 1.193 3.486 1.00 . A A . 15 LYS CG 1 1 12 10225 1 1 15 LYS H H -12.781 -1.700 5.098 1.00 . A A . 15 LYS H 1 1 12 10226 1 1 15 LYS HA H -11.719 -0.671 2.650 1.00 . A A . 15 LYS HA 1 1 12 10227 1 1 15 LYS HB2 H -12.307 0.662 5.264 1.00 . A A . 15 LYS HB2 1 1 12 10228 1 1 15 LYS HB3 H -11.328 1.437 4.029 1.00 . A A . 15 LYS HB3 1 1 12 10229 1 1 15 LYS HD2 H -13.010 3.224 3.972 1.00 . A A . 15 LYS HD2 1 1 12 10230 1 1 15 LYS HD3 H -14.597 2.939 3.257 1.00 . A A . 15 LYS HD3 1 1 12 10231 1 1 15 LYS HE2 H -13.788 1.894 5.907 1.00 . A A . 15 LYS HE2 1 1 12 10232 1 1 15 LYS HE3 H -14.582 3.471 5.756 1.00 . A A . 15 LYS HE3 1 1 12 10233 1 1 15 LYS HG2 H -13.208 1.238 2.423 1.00 . A A . 15 LYS HG2 1 1 12 10234 1 1 15 LYS HG3 H -14.163 0.464 3.684 1.00 . A A . 15 LYS HG3 1 1 12 10235 1 1 15 LYS HZ1 H -16.464 2.397 4.786 1.00 . A A . 15 LYS HZ1 1 1 12 10236 1 1 15 LYS HZ2 H -16.159 1.651 6.259 1.00 . A A . 15 LYS HZ2 1 1 12 10237 1 1 15 LYS HZ3 H -15.749 0.898 4.772 1.00 . A A . 15 LYS HZ3 1 1 12 10238 1 1 15 LYS N N -12.466 -1.725 4.170 1.00 . A A . 15 LYS N 1 1 12 10239 1 1 15 LYS NZ N -15.786 1.793 5.298 1.00 . A A . 15 LYS NZ 1 1 12 10240 1 1 15 LYS O O -9.675 -0.573 5.105 1.00 . A A . 15 LYS O 1 1 12 10241 1 1 16 VAL C C -7.376 -0.556 2.320 1.00 . A A . 16 VAL C 1 1 12 10242 1 1 16 VAL CA C -8.062 -1.655 3.120 1.00 . A A . 16 VAL CA 1 1 12 10243 1 1 16 VAL CB C -7.614 -3.072 2.647 1.00 . A A . 16 VAL CB 1 1 12 10244 1 1 16 VAL CG1 C -8.166 -4.129 3.581 1.00 . A A . 16 VAL CG1 1 1 12 10245 1 1 16 VAL CG2 C -8.061 -3.358 1.208 1.00 . A A . 16 VAL CG2 1 1 12 10246 1 1 16 VAL H H -9.984 -1.769 2.262 1.00 . A A . 16 VAL H 1 1 12 10247 1 1 16 VAL HA H -7.781 -1.519 4.156 1.00 . A A . 16 VAL HA 1 1 12 10248 1 1 16 VAL HB H -6.535 -3.110 2.690 1.00 . A A . 16 VAL HB 1 1 12 10249 1 1 16 VAL HG11 H -7.804 -3.947 4.583 1.00 . A A . 16 VAL HG11 1 1 12 10250 1 1 16 VAL HG12 H -7.864 -5.113 3.252 1.00 . A A . 16 VAL HG12 1 1 12 10251 1 1 16 VAL HG13 H -9.244 -4.079 3.585 1.00 . A A . 16 VAL HG13 1 1 12 10252 1 1 16 VAL HG21 H -7.806 -4.374 0.946 1.00 . A A . 16 VAL HG21 1 1 12 10253 1 1 16 VAL HG22 H -7.570 -2.663 0.541 1.00 . A A . 16 VAL HG22 1 1 12 10254 1 1 16 VAL HG23 H -9.134 -3.243 1.140 1.00 . A A . 16 VAL HG23 1 1 12 10255 1 1 16 VAL N N -9.493 -1.461 3.053 1.00 . A A . 16 VAL N 1 1 12 10256 1 1 16 VAL O O -7.916 -0.088 1.302 1.00 . A A . 16 VAL O 1 1 12 10257 1 1 17 ASP C C -4.316 0.541 1.355 1.00 . A A . 17 ASP C 1 1 12 10258 1 1 17 ASP CA C -5.533 1.009 2.174 1.00 . A A . 17 ASP CA 1 1 12 10259 1 1 17 ASP CB C -5.088 1.966 3.282 1.00 . A A . 17 ASP CB 1 1 12 10260 1 1 17 ASP CG C -4.910 3.387 2.798 1.00 . A A . 17 ASP CG 1 1 12 10261 1 1 17 ASP H H -5.778 -0.637 3.489 1.00 . A A . 17 ASP H 1 1 12 10262 1 1 17 ASP HA H -6.242 1.507 1.530 1.00 . A A . 17 ASP HA 1 1 12 10263 1 1 17 ASP HB2 H -5.798 1.972 4.092 1.00 . A A . 17 ASP HB2 1 1 12 10264 1 1 17 ASP HB3 H -4.129 1.633 3.656 1.00 . A A . 17 ASP HB3 1 1 12 10265 1 1 17 ASP N N -6.211 -0.147 2.765 1.00 . A A . 17 ASP N 1 1 12 10266 1 1 17 ASP O O -3.741 -0.552 1.626 1.00 . A A . 17 ASP O 1 1 12 10267 1 1 17 ASP OD1 O -3.877 3.686 2.176 1.00 . A A . 17 ASP OD1 1 1 12 10268 1 1 17 ASP OD2 O -5.831 4.218 3.061 1.00 . A A . 17 ASP OD2 1 1 12 10269 1 1 18 TRP C C -1.875 2.111 -0.774 1.00 . A A . 18 TRP C 1 1 12 10270 1 1 18 TRP CA C -2.880 0.959 -0.574 1.00 . A A . 18 TRP CA 1 1 12 10271 1 1 18 TRP CB C -3.499 0.674 -1.935 1.00 . A A . 18 TRP CB 1 1 12 10272 1 1 18 TRP CD1 C -5.840 -0.311 -1.392 1.00 . A A . 18 TRP CD1 1 1 12 10273 1 1 18 TRP CD2 C -4.642 -1.504 -2.826 1.00 . A A . 18 TRP CD2 1 1 12 10274 1 1 18 TRP CE2 C -5.860 -2.159 -2.614 1.00 . A A . 18 TRP CE2 1 1 12 10275 1 1 18 TRP CE3 C -3.733 -2.053 -3.691 1.00 . A A . 18 TRP CE3 1 1 12 10276 1 1 18 TRP CG C -4.621 -0.355 -2.005 1.00 . A A . 18 TRP CG 1 1 12 10277 1 1 18 TRP CH2 C -5.260 -3.846 -4.135 1.00 . A A . 18 TRP CH2 1 1 12 10278 1 1 18 TRP CZ2 C -6.192 -3.331 -3.263 1.00 . A A . 18 TRP CZ2 1 1 12 10279 1 1 18 TRP CZ3 C -4.044 -3.210 -4.354 1.00 . A A . 18 TRP CZ3 1 1 12 10280 1 1 18 TRP H H -4.407 2.198 0.326 1.00 . A A . 18 TRP H 1 1 12 10281 1 1 18 TRP HA H -2.384 0.072 -0.220 1.00 . A A . 18 TRP HA 1 1 12 10282 1 1 18 TRP HB2 H -3.900 1.613 -2.276 1.00 . A A . 18 TRP HB2 1 1 12 10283 1 1 18 TRP HB3 H -2.727 0.398 -2.639 1.00 . A A . 18 TRP HB3 1 1 12 10284 1 1 18 TRP HD1 H -6.147 0.470 -0.714 1.00 . A A . 18 TRP HD1 1 1 12 10285 1 1 18 TRP HE1 H -7.466 -1.621 -1.378 1.00 . A A . 18 TRP HE1 1 1 12 10286 1 1 18 TRP HE3 H -2.799 -1.545 -3.851 1.00 . A A . 18 TRP HE3 1 1 12 10287 1 1 18 TRP HH2 H -5.446 -4.743 -4.703 1.00 . A A . 18 TRP HH2 1 1 12 10288 1 1 18 TRP HZ2 H -7.141 -3.811 -3.075 1.00 . A A . 18 TRP HZ2 1 1 12 10289 1 1 18 TRP HZ3 H -3.327 -3.640 -5.041 1.00 . A A . 18 TRP HZ3 1 1 12 10290 1 1 18 TRP N N -3.932 1.335 0.372 1.00 . A A . 18 TRP N 1 1 12 10291 1 1 18 TRP NE1 N -6.568 -1.416 -1.718 1.00 . A A . 18 TRP NE1 1 1 12 10292 1 1 18 TRP O O -2.188 3.268 -0.499 1.00 . A A . 18 TRP O 1 1 12 10293 1 1 19 VAL C C 0.989 2.466 -2.930 1.00 . A A . 19 VAL C 1 1 12 10294 1 1 19 VAL CA C 0.373 2.780 -1.575 1.00 . A A . 19 VAL CA 1 1 12 10295 1 1 19 VAL CB C 1.572 2.631 -0.610 1.00 . A A . 19 VAL CB 1 1 12 10296 1 1 19 VAL CG1 C 2.474 3.853 -0.626 1.00 . A A . 19 VAL CG1 1 1 12 10297 1 1 19 VAL CG2 C 1.210 2.200 0.774 1.00 . A A . 19 VAL CG2 1 1 12 10298 1 1 19 VAL H H -0.405 0.901 -1.622 1.00 . A A . 19 VAL H 1 1 12 10299 1 1 19 VAL HA H 0.006 3.794 -1.535 1.00 . A A . 19 VAL HA 1 1 12 10300 1 1 19 VAL HB H 2.154 1.845 -1.071 1.00 . A A . 19 VAL HB 1 1 12 10301 1 1 19 VAL HG11 H 1.910 4.720 -0.317 1.00 . A A . 19 VAL HG11 1 1 12 10302 1 1 19 VAL HG12 H 2.857 4.016 -1.625 1.00 . A A . 19 VAL HG12 1 1 12 10303 1 1 19 VAL HG13 H 3.306 3.703 0.046 1.00 . A A . 19 VAL HG13 1 1 12 10304 1 1 19 VAL HG21 H 2.169 2.018 1.239 1.00 . A A . 19 VAL HG21 1 1 12 10305 1 1 19 VAL HG22 H 0.680 1.261 0.712 1.00 . A A . 19 VAL HG22 1 1 12 10306 1 1 19 VAL HG23 H 0.637 2.957 1.290 1.00 . A A . 19 VAL HG23 1 1 12 10307 1 1 19 VAL N N -0.685 1.792 -1.319 1.00 . A A . 19 VAL N 1 1 12 10308 1 1 19 VAL O O 1.145 1.293 -3.272 1.00 . A A . 19 VAL O 1 1 12 10309 1 1 20 GLN C C 3.532 3.694 -4.611 1.00 . A A . 20 GLN C 1 1 12 10310 1 1 20 GLN CA C 2.103 3.309 -4.892 1.00 . A A . 20 GLN CA 1 1 12 10311 1 1 20 GLN CB C 1.580 4.176 -6.023 1.00 . A A . 20 GLN CB 1 1 12 10312 1 1 20 GLN CD C 2.059 2.500 -7.879 1.00 . A A . 20 GLN CD 1 1 12 10313 1 1 20 GLN CG C 1.053 3.418 -7.219 1.00 . A A . 20 GLN CG 1 1 12 10314 1 1 20 GLN H H 0.974 4.357 -3.417 1.00 . A A . 20 GLN H 1 1 12 10315 1 1 20 GLN HA H 2.052 2.270 -5.187 1.00 . A A . 20 GLN HA 1 1 12 10316 1 1 20 GLN HB2 H 0.765 4.771 -5.642 1.00 . A A . 20 GLN HB2 1 1 12 10317 1 1 20 GLN HB3 H 2.357 4.844 -6.361 1.00 . A A . 20 GLN HB3 1 1 12 10318 1 1 20 GLN HE21 H 0.604 1.297 -8.488 1.00 . A A . 20 GLN HE21 1 1 12 10319 1 1 20 GLN HE22 H 2.217 0.863 -8.950 1.00 . A A . 20 GLN HE22 1 1 12 10320 1 1 20 GLN HG2 H 0.191 2.830 -6.937 1.00 . A A . 20 GLN HG2 1 1 12 10321 1 1 20 GLN HG3 H 0.763 4.157 -7.947 1.00 . A A . 20 GLN HG3 1 1 12 10322 1 1 20 GLN N N 1.318 3.474 -3.683 1.00 . A A . 20 GLN N 1 1 12 10323 1 1 20 GLN NE2 N 1.571 1.450 -8.492 1.00 . A A . 20 GLN NE2 1 1 12 10324 1 1 20 GLN O O 3.784 4.638 -3.867 1.00 . A A . 20 GLN O 1 1 12 10325 1 1 20 GLN OE1 O 3.249 2.740 -7.859 1.00 . A A . 20 GLN OE1 1 1 12 10326 1 1 21 CYS C C 6.222 4.271 -6.148 1.00 . A A . 21 CYS C 1 1 12 10327 1 1 21 CYS CA C 5.868 3.296 -5.025 1.00 . A A . 21 CYS CA 1 1 12 10328 1 1 21 CYS CB C 6.733 2.052 -5.213 1.00 . A A . 21 CYS CB 1 1 12 10329 1 1 21 CYS H H 4.210 2.161 -5.677 1.00 . A A . 21 CYS H 1 1 12 10330 1 1 21 CYS HA H 6.055 3.736 -4.060 1.00 . A A . 21 CYS HA 1 1 12 10331 1 1 21 CYS HB2 H 6.359 1.177 -4.726 1.00 . A A . 21 CYS HB2 1 1 12 10332 1 1 21 CYS HB3 H 6.733 1.838 -6.271 1.00 . A A . 21 CYS HB3 1 1 12 10333 1 1 21 CYS N N 4.457 2.952 -5.150 1.00 . A A . 21 CYS N 1 1 12 10334 1 1 21 CYS O O 6.060 3.942 -7.328 1.00 . A A . 21 CYS O 1 1 12 10335 1 1 21 CYS SG S 8.480 2.169 -4.733 1.00 . A A . 21 CYS SG 1 1 12 10336 1 1 22 ASP C C 8.586 6.106 -7.266 1.00 . A A . 22 ASP C 1 1 12 10337 1 1 22 ASP CA C 7.162 6.409 -6.802 1.00 . A A . 22 ASP CA 1 1 12 10338 1 1 22 ASP CB C 7.081 7.852 -6.267 1.00 . A A . 22 ASP CB 1 1 12 10339 1 1 22 ASP CG C 5.663 8.324 -5.950 1.00 . A A . 22 ASP CG 1 1 12 10340 1 1 22 ASP H H 6.909 5.600 -4.841 1.00 . A A . 22 ASP H 1 1 12 10341 1 1 22 ASP HA H 6.499 6.299 -7.647 1.00 . A A . 22 ASP HA 1 1 12 10342 1 1 22 ASP HB2 H 7.659 7.894 -5.353 1.00 . A A . 22 ASP HB2 1 1 12 10343 1 1 22 ASP HB3 H 7.523 8.525 -6.988 1.00 . A A . 22 ASP HB3 1 1 12 10344 1 1 22 ASP N N 6.756 5.420 -5.801 1.00 . A A . 22 ASP N 1 1 12 10345 1 1 22 ASP O O 9.282 6.967 -7.807 1.00 . A A . 22 ASP O 1 1 12 10346 1 1 22 ASP OD1 O 5.228 8.139 -4.799 1.00 . A A . 22 ASP OD1 1 1 12 10347 1 1 22 ASP OD2 O 4.984 8.913 -6.857 1.00 . A A . 22 ASP OD2 1 1 12 10348 1 1 23 GLY C C 10.156 3.570 -8.716 1.00 . A A . 23 GLY C 1 1 12 10349 1 1 23 GLY CA C 10.294 4.398 -7.471 1.00 . A A . 23 GLY CA 1 1 12 10350 1 1 23 GLY H H 8.423 4.152 -6.705 1.00 . A A . 23 GLY H 1 1 12 10351 1 1 23 GLY HA2 H 10.938 5.247 -7.653 1.00 . A A . 23 GLY HA2 1 1 12 10352 1 1 23 GLY HA3 H 10.694 3.783 -6.681 1.00 . A A . 23 GLY HA3 1 1 12 10353 1 1 23 GLY N N 9.001 4.850 -7.074 1.00 . A A . 23 GLY N 1 1 12 10354 1 1 23 GLY O O 9.182 3.726 -9.440 1.00 . A A . 23 GLY O 1 1 12 10355 1 1 24 GLY C C 10.173 0.639 -10.145 1.00 . A A . 24 GLY C 1 1 12 10356 1 1 24 GLY CA C 11.012 1.900 -10.183 1.00 . A A . 24 GLY CA 1 1 12 10357 1 1 24 GLY H H 11.838 2.384 -8.426 1.00 . A A . 24 GLY H 1 1 12 10358 1 1 24 GLY HA2 H 10.638 2.546 -10.962 1.00 . A A . 24 GLY HA2 1 1 12 10359 1 1 24 GLY HA3 H 12.023 1.627 -10.446 1.00 . A A . 24 GLY HA3 1 1 12 10360 1 1 24 GLY N N 11.060 2.652 -8.952 1.00 . A A . 24 GLY N 1 1 12 10361 1 1 24 GLY O O 9.982 0.028 -11.180 1.00 . A A . 24 GLY O 1 1 12 10362 1 1 25 CYS C C 7.413 -0.749 -9.457 1.00 . A A . 25 CYS C 1 1 12 10363 1 1 25 CYS CA C 8.850 -1.035 -9.002 1.00 . A A . 25 CYS CA 1 1 12 10364 1 1 25 CYS CB C 8.857 -1.856 -7.696 1.00 . A A . 25 CYS CB 1 1 12 10365 1 1 25 CYS H H 9.937 0.675 -8.145 1.00 . A A . 25 CYS H 1 1 12 10366 1 1 25 CYS HA H 9.297 -1.627 -9.789 1.00 . A A . 25 CYS HA 1 1 12 10367 1 1 25 CYS HB2 H 8.443 -2.832 -7.894 1.00 . A A . 25 CYS HB2 1 1 12 10368 1 1 25 CYS HB3 H 9.882 -1.999 -7.392 1.00 . A A . 25 CYS HB3 1 1 12 10369 1 1 25 CYS N N 9.681 0.197 -8.967 1.00 . A A . 25 CYS N 1 1 12 10370 1 1 25 CYS O O 6.737 -1.647 -9.939 1.00 . A A . 25 CYS O 1 1 12 10371 1 1 25 CYS SG S 7.944 -1.154 -6.301 1.00 . A A . 25 CYS SG 1 1 12 10372 1 1 26 ASP C C 4.447 0.063 -9.386 1.00 . A A . 26 ASP C 1 1 12 10373 1 1 26 ASP CA C 5.622 1.022 -9.715 1.00 . A A . 26 ASP CA 1 1 12 10374 1 1 26 ASP CB C 5.552 1.553 -11.186 1.00 . A A . 26 ASP CB 1 1 12 10375 1 1 26 ASP CG C 5.899 0.547 -12.286 1.00 . A A . 26 ASP CG 1 1 12 10376 1 1 26 ASP H H 7.641 1.238 -9.127 1.00 . A A . 26 ASP H 1 1 12 10377 1 1 26 ASP HA H 5.463 1.870 -9.066 1.00 . A A . 26 ASP HA 1 1 12 10378 1 1 26 ASP HB2 H 4.550 1.906 -11.373 1.00 . A A . 26 ASP HB2 1 1 12 10379 1 1 26 ASP HB3 H 6.221 2.396 -11.265 1.00 . A A . 26 ASP HB3 1 1 12 10380 1 1 26 ASP N N 6.994 0.534 -9.342 1.00 . A A . 26 ASP N 1 1 12 10381 1 1 26 ASP O O 3.445 0.005 -10.115 1.00 . A A . 26 ASP O 1 1 12 10382 1 1 26 ASP OD1 O 5.014 -0.218 -12.724 1.00 . A A . 26 ASP OD1 1 1 12 10383 1 1 26 ASP OD2 O 7.048 0.558 -12.774 1.00 . A A . 26 ASP OD2 1 1 12 10384 1 1 27 GLU C C 2.779 -0.966 -6.585 1.00 . A A . 27 GLU C 1 1 12 10385 1 1 27 GLU CA C 3.477 -1.483 -7.838 1.00 . A A . 27 GLU CA 1 1 12 10386 1 1 27 GLU CB C 3.964 -2.915 -7.677 1.00 . A A . 27 GLU CB 1 1 12 10387 1 1 27 GLU CD C 4.691 -5.040 -8.846 1.00 . A A . 27 GLU CD 1 1 12 10388 1 1 27 GLU CG C 4.330 -3.584 -8.993 1.00 . A A . 27 GLU CG 1 1 12 10389 1 1 27 GLU H H 5.305 -0.456 -7.695 1.00 . A A . 27 GLU H 1 1 12 10390 1 1 27 GLU HA H 2.751 -1.457 -8.633 1.00 . A A . 27 GLU HA 1 1 12 10391 1 1 27 GLU HB2 H 4.837 -2.900 -7.044 1.00 . A A . 27 GLU HB2 1 1 12 10392 1 1 27 GLU HB3 H 3.192 -3.477 -7.190 1.00 . A A . 27 GLU HB3 1 1 12 10393 1 1 27 GLU HG2 H 3.483 -3.521 -9.659 1.00 . A A . 27 GLU HG2 1 1 12 10394 1 1 27 GLU HG3 H 5.162 -3.056 -9.431 1.00 . A A . 27 GLU HG3 1 1 12 10395 1 1 27 GLU N N 4.524 -0.606 -8.257 1.00 . A A . 27 GLU N 1 1 12 10396 1 1 27 GLU O O 3.258 -0.002 -5.941 1.00 . A A . 27 GLU O 1 1 12 10397 1 1 27 GLU OE1 O 5.873 -5.354 -8.630 1.00 . A A . 27 GLU OE1 1 1 12 10398 1 1 27 GLU OE2 O 3.776 -5.906 -8.974 1.00 . A A . 27 GLU OE2 1 1 12 10399 1 1 28 TRP C C 1.092 -2.051 -3.905 1.00 . A A . 28 TRP C 1 1 12 10400 1 1 28 TRP CA C 0.838 -1.178 -5.121 1.00 . A A . 28 TRP CA 1 1 12 10401 1 1 28 TRP CB C -0.661 -1.189 -5.445 1.00 . A A . 28 TRP CB 1 1 12 10402 1 1 28 TRP CD1 C -1.242 -0.308 -7.800 1.00 . A A . 28 TRP CD1 1 1 12 10403 1 1 28 TRP CD2 C -1.549 1.182 -6.171 1.00 . A A . 28 TRP CD2 1 1 12 10404 1 1 28 TRP CE2 C -1.897 1.778 -7.399 1.00 . A A . 28 TRP CE2 1 1 12 10405 1 1 28 TRP CE3 C -1.672 1.936 -5.007 1.00 . A A . 28 TRP CE3 1 1 12 10406 1 1 28 TRP CG C -1.119 -0.156 -6.454 1.00 . A A . 28 TRP CG 1 1 12 10407 1 1 28 TRP CH2 C -2.466 3.786 -6.335 1.00 . A A . 28 TRP CH2 1 1 12 10408 1 1 28 TRP CZ2 C -2.357 3.085 -7.483 1.00 . A A . 28 TRP CZ2 1 1 12 10409 1 1 28 TRP CZ3 C -2.132 3.228 -5.106 1.00 . A A . 28 TRP CZ3 1 1 12 10410 1 1 28 TRP H H 1.392 -2.367 -6.788 1.00 . A A . 28 TRP H 1 1 12 10411 1 1 28 TRP HA H 1.123 -0.162 -4.886 1.00 . A A . 28 TRP HA 1 1 12 10412 1 1 28 TRP HB2 H -0.945 -2.170 -5.793 1.00 . A A . 28 TRP HB2 1 1 12 10413 1 1 28 TRP HB3 H -1.165 -0.982 -4.514 1.00 . A A . 28 TRP HB3 1 1 12 10414 1 1 28 TRP HD1 H -1.009 -1.209 -8.341 1.00 . A A . 28 TRP HD1 1 1 12 10415 1 1 28 TRP HE1 H -1.874 1.027 -9.322 1.00 . A A . 28 TRP HE1 1 1 12 10416 1 1 28 TRP HE3 H -1.414 1.534 -4.040 1.00 . A A . 28 TRP HE3 1 1 12 10417 1 1 28 TRP HH2 H -2.837 4.795 -6.357 1.00 . A A . 28 TRP HH2 1 1 12 10418 1 1 28 TRP HZ2 H -2.615 3.546 -8.424 1.00 . A A . 28 TRP HZ2 1 1 12 10419 1 1 28 TRP HZ3 H -2.244 3.843 -4.227 1.00 . A A . 28 TRP HZ3 1 1 12 10420 1 1 28 TRP N N 1.654 -1.587 -6.256 1.00 . A A . 28 TRP N 1 1 12 10421 1 1 28 TRP NE1 N -1.701 0.860 -8.367 1.00 . A A . 28 TRP NE1 1 1 12 10422 1 1 28 TRP O O 1.215 -3.279 -4.013 1.00 . A A . 28 TRP O 1 1 12 10423 1 1 29 PHE C C 0.321 -1.691 -0.498 1.00 . A A . 29 PHE C 1 1 12 10424 1 1 29 PHE CA C 1.423 -2.050 -1.471 1.00 . A A . 29 PHE CA 1 1 12 10425 1 1 29 PHE CB C 2.677 -1.516 -0.839 1.00 . A A . 29 PHE CB 1 1 12 10426 1 1 29 PHE CD1 C 4.478 -2.426 -2.298 1.00 . A A . 29 PHE CD1 1 1 12 10427 1 1 29 PHE CD2 C 4.325 -0.076 -1.950 1.00 . A A . 29 PHE CD2 1 1 12 10428 1 1 29 PHE CE1 C 5.577 -2.230 -3.104 1.00 . A A . 29 PHE CE1 1 1 12 10429 1 1 29 PHE CE2 C 5.405 0.118 -2.729 1.00 . A A . 29 PHE CE2 1 1 12 10430 1 1 29 PHE CG C 3.839 -1.344 -1.720 1.00 . A A . 29 PHE CG 1 1 12 10431 1 1 29 PHE CZ C 6.044 -0.951 -3.309 1.00 . A A . 29 PHE CZ 1 1 12 10432 1 1 29 PHE H H 1.133 -0.424 -2.823 1.00 . A A . 29 PHE H 1 1 12 10433 1 1 29 PHE HA H 1.509 -3.119 -1.583 1.00 . A A . 29 PHE HA 1 1 12 10434 1 1 29 PHE HB2 H 2.447 -0.545 -0.425 1.00 . A A . 29 PHE HB2 1 1 12 10435 1 1 29 PHE HB3 H 2.945 -2.182 -0.032 1.00 . A A . 29 PHE HB3 1 1 12 10436 1 1 29 PHE HD1 H 4.103 -3.425 -2.135 1.00 . A A . 29 PHE HD1 1 1 12 10437 1 1 29 PHE HD2 H 3.846 0.795 -1.523 1.00 . A A . 29 PHE HD2 1 1 12 10438 1 1 29 PHE HE1 H 6.074 -3.075 -3.557 1.00 . A A . 29 PHE HE1 1 1 12 10439 1 1 29 PHE HE2 H 5.750 1.125 -2.868 1.00 . A A . 29 PHE HE2 1 1 12 10440 1 1 29 PHE HZ H 6.906 -0.750 -3.923 1.00 . A A . 29 PHE HZ 1 1 12 10441 1 1 29 PHE N N 1.180 -1.405 -2.758 1.00 . A A . 29 PHE N 1 1 12 10442 1 1 29 PHE O O -0.537 -0.904 -0.817 1.00 . A A . 29 PHE O 1 1 12 10443 1 1 30 HIS C C 0.382 -1.056 2.683 1.00 . A A . 30 HIS C 1 1 12 10444 1 1 30 HIS CA C -0.522 -1.849 1.761 1.00 . A A . 30 HIS CA 1 1 12 10445 1 1 30 HIS CB C -1.122 -2.992 2.579 1.00 . A A . 30 HIS CB 1 1 12 10446 1 1 30 HIS CD2 C -3.305 -4.088 1.685 1.00 . A A . 30 HIS CD2 1 1 12 10447 1 1 30 HIS CE1 C -2.432 -5.972 0.948 1.00 . A A . 30 HIS CE1 1 1 12 10448 1 1 30 HIS CG C -1.963 -4.001 1.853 1.00 . A A . 30 HIS CG 1 1 12 10449 1 1 30 HIS H H 1.017 -3.014 0.832 1.00 . A A . 30 HIS H 1 1 12 10450 1 1 30 HIS HA H -1.287 -1.213 1.344 1.00 . A A . 30 HIS HA 1 1 12 10451 1 1 30 HIS HB2 H -0.319 -3.544 3.047 1.00 . A A . 30 HIS HB2 1 1 12 10452 1 1 30 HIS HB3 H -1.726 -2.553 3.365 1.00 . A A . 30 HIS HB3 1 1 12 10453 1 1 30 HIS HD2 H -4.028 -3.325 1.943 1.00 . A A . 30 HIS HD2 1 1 12 10454 1 1 30 HIS HE1 H -2.314 -7.011 0.650 1.00 . A A . 30 HIS HE1 1 1 12 10455 1 1 30 HIS HE2 H -4.385 -5.536 0.604 1.00 . A A . 30 HIS HE2 1 1 12 10456 1 1 30 HIS N N 0.343 -2.307 0.694 1.00 . A A . 30 HIS N 1 1 12 10457 1 1 30 HIS ND1 N -1.447 -5.180 1.364 1.00 . A A . 30 HIS ND1 1 1 12 10458 1 1 30 HIS NE2 N -3.575 -5.327 1.121 1.00 . A A . 30 HIS NE2 1 1 12 10459 1 1 30 HIS O O 1.502 -1.475 2.911 1.00 . A A . 30 HIS O 1 1 12 10460 1 1 31 GLN C C 1.406 0.112 5.218 1.00 . A A . 31 GLN C 1 1 12 10461 1 1 31 GLN CA C 0.669 0.922 4.128 1.00 . A A . 31 GLN CA 1 1 12 10462 1 1 31 GLN CB C -0.326 1.818 4.826 1.00 . A A . 31 GLN CB 1 1 12 10463 1 1 31 GLN CD C -0.608 3.889 3.380 1.00 . A A . 31 GLN CD 1 1 12 10464 1 1 31 GLN CG C -1.204 2.615 3.894 1.00 . A A . 31 GLN CG 1 1 12 10465 1 1 31 GLN H H -1.006 0.330 2.982 1.00 . A A . 31 GLN H 1 1 12 10466 1 1 31 GLN HA H 1.348 1.540 3.562 1.00 . A A . 31 GLN HA 1 1 12 10467 1 1 31 GLN HB2 H -0.959 1.217 5.460 1.00 . A A . 31 GLN HB2 1 1 12 10468 1 1 31 GLN HB3 H 0.236 2.515 5.435 1.00 . A A . 31 GLN HB3 1 1 12 10469 1 1 31 GLN HE21 H -1.840 3.841 1.839 1.00 . A A . 31 GLN HE21 1 1 12 10470 1 1 31 GLN HE22 H -0.760 5.176 1.905 1.00 . A A . 31 GLN HE22 1 1 12 10471 1 1 31 GLN HG2 H -1.117 1.968 3.031 1.00 . A A . 31 GLN HG2 1 1 12 10472 1 1 31 GLN HG3 H -2.227 2.723 4.217 1.00 . A A . 31 GLN HG3 1 1 12 10473 1 1 31 GLN N N -0.102 0.043 3.221 1.00 . A A . 31 GLN N 1 1 12 10474 1 1 31 GLN NE2 N -1.104 4.342 2.270 1.00 . A A . 31 GLN NE2 1 1 12 10475 1 1 31 GLN O O 2.611 0.228 5.384 1.00 . A A . 31 GLN O 1 1 12 10476 1 1 31 GLN OE1 O 0.235 4.500 4.024 1.00 . A A . 31 GLN OE1 1 1 12 10477 1 1 32 VAL C C 2.220 -2.574 6.657 1.00 . A A . 32 VAL C 1 1 12 10478 1 1 32 VAL CA C 1.192 -1.486 7.043 1.00 . A A . 32 VAL CA 1 1 12 10479 1 1 32 VAL CB C 0.051 -2.128 7.889 1.00 . A A . 32 VAL CB 1 1 12 10480 1 1 32 VAL CG1 C -0.910 -1.059 8.393 1.00 . A A . 32 VAL CG1 1 1 12 10481 1 1 32 VAL CG2 C -0.701 -3.191 7.101 1.00 . A A . 32 VAL CG2 1 1 12 10482 1 1 32 VAL H H -0.257 -0.956 5.662 1.00 . A A . 32 VAL H 1 1 12 10483 1 1 32 VAL HA H 1.692 -0.764 7.671 1.00 . A A . 32 VAL HA 1 1 12 10484 1 1 32 VAL HB H 0.511 -2.593 8.748 1.00 . A A . 32 VAL HB 1 1 12 10485 1 1 32 VAL HG11 H -1.683 -1.517 8.988 1.00 . A A . 32 VAL HG11 1 1 12 10486 1 1 32 VAL HG12 H -1.367 -0.572 7.545 1.00 . A A . 32 VAL HG12 1 1 12 10487 1 1 32 VAL HG13 H -0.369 -0.337 8.983 1.00 . A A . 32 VAL HG13 1 1 12 10488 1 1 32 VAL HG21 H -1.180 -2.708 6.263 1.00 . A A . 32 VAL HG21 1 1 12 10489 1 1 32 VAL HG22 H -1.451 -3.657 7.723 1.00 . A A . 32 VAL HG22 1 1 12 10490 1 1 32 VAL HG23 H -0.008 -3.939 6.745 1.00 . A A . 32 VAL HG23 1 1 12 10491 1 1 32 VAL N N 0.668 -0.752 5.906 1.00 . A A . 32 VAL N 1 1 12 10492 1 1 32 VAL O O 3.125 -2.864 7.424 1.00 . A A . 32 VAL O 1 1 12 10493 1 1 33 CYS C C 4.276 -3.835 4.534 1.00 . A A . 33 CYS C 1 1 12 10494 1 1 33 CYS CA C 2.925 -4.290 5.091 1.00 . A A . 33 CYS CA 1 1 12 10495 1 1 33 CYS CB C 2.182 -5.194 4.073 1.00 . A A . 33 CYS CB 1 1 12 10496 1 1 33 CYS H H 1.488 -2.768 4.789 1.00 . A A . 33 CYS H 1 1 12 10497 1 1 33 CYS HA H 3.110 -4.864 5.988 1.00 . A A . 33 CYS HA 1 1 12 10498 1 1 33 CYS HB2 H 2.756 -6.062 3.803 1.00 . A A . 33 CYS HB2 1 1 12 10499 1 1 33 CYS HB3 H 1.217 -5.491 4.447 1.00 . A A . 33 CYS HB3 1 1 12 10500 1 1 33 CYS N N 2.090 -3.144 5.464 1.00 . A A . 33 CYS N 1 1 12 10501 1 1 33 CYS O O 5.271 -4.553 4.616 1.00 . A A . 33 CYS O 1 1 12 10502 1 1 33 CYS SG S 1.801 -4.381 2.568 1.00 . A A . 33 CYS SG 1 1 12 10503 1 1 34 VAL C C 6.127 -1.042 4.304 1.00 . A A . 34 VAL C 1 1 12 10504 1 1 34 VAL CA C 5.466 -2.114 3.372 1.00 . A A . 34 VAL CA 1 1 12 10505 1 1 34 VAL CB C 5.089 -1.524 1.982 1.00 . A A . 34 VAL CB 1 1 12 10506 1 1 34 VAL CG1 C 4.213 -0.307 2.079 1.00 . A A . 34 VAL CG1 1 1 12 10507 1 1 34 VAL CG2 C 6.290 -1.267 1.173 1.00 . A A . 34 VAL CG2 1 1 12 10508 1 1 34 VAL H H 3.543 -2.021 3.953 1.00 . A A . 34 VAL H 1 1 12 10509 1 1 34 VAL HA H 6.163 -2.928 3.221 1.00 . A A . 34 VAL HA 1 1 12 10510 1 1 34 VAL HB H 4.491 -2.246 1.450 1.00 . A A . 34 VAL HB 1 1 12 10511 1 1 34 VAL HG11 H 3.974 0.037 1.085 1.00 . A A . 34 VAL HG11 1 1 12 10512 1 1 34 VAL HG12 H 4.791 0.459 2.570 1.00 . A A . 34 VAL HG12 1 1 12 10513 1 1 34 VAL HG13 H 3.293 -0.471 2.630 1.00 . A A . 34 VAL HG13 1 1 12 10514 1 1 34 VAL HG21 H 6.801 -2.214 1.109 1.00 . A A . 34 VAL HG21 1 1 12 10515 1 1 34 VAL HG22 H 6.871 -0.552 1.731 1.00 . A A . 34 VAL HG22 1 1 12 10516 1 1 34 VAL HG23 H 5.964 -0.909 0.211 1.00 . A A . 34 VAL HG23 1 1 12 10517 1 1 34 VAL N N 4.305 -2.631 3.979 1.00 . A A . 34 VAL N 1 1 12 10518 1 1 34 VAL O O 7.062 -0.349 3.931 1.00 . A A . 34 VAL O 1 1 12 10519 1 1 35 GLY C C 6.020 1.434 6.146 1.00 . A A . 35 GLY C 1 1 12 10520 1 1 35 GLY CA C 6.199 -0.039 6.518 1.00 . A A . 35 GLY CA 1 1 12 10521 1 1 35 GLY H H 5.056 -1.693 5.850 1.00 . A A . 35 GLY H 1 1 12 10522 1 1 35 GLY HA2 H 5.712 -0.198 7.466 1.00 . A A . 35 GLY HA2 1 1 12 10523 1 1 35 GLY HA3 H 7.255 -0.227 6.650 1.00 . A A . 35 GLY HA3 1 1 12 10524 1 1 35 GLY N N 5.674 -0.997 5.549 1.00 . A A . 35 GLY N 1 1 12 10525 1 1 35 GLY O O 6.972 2.216 6.256 1.00 . A A . 35 GLY O 1 1 12 10526 1 1 36 VAL C C 3.807 3.760 6.653 1.00 . A A . 36 VAL C 1 1 12 10527 1 1 36 VAL CA C 4.525 3.204 5.442 1.00 . A A . 36 VAL CA 1 1 12 10528 1 1 36 VAL CB C 3.514 3.381 4.256 1.00 . A A . 36 VAL CB 1 1 12 10529 1 1 36 VAL CG1 C 3.264 4.783 3.930 1.00 . A A . 36 VAL CG1 1 1 12 10530 1 1 36 VAL CG2 C 3.941 2.768 3.023 1.00 . A A . 36 VAL CG2 1 1 12 10531 1 1 36 VAL H H 4.129 1.130 5.604 1.00 . A A . 36 VAL H 1 1 12 10532 1 1 36 VAL HA H 5.437 3.746 5.232 1.00 . A A . 36 VAL HA 1 1 12 10533 1 1 36 VAL HB H 2.575 2.932 4.541 1.00 . A A . 36 VAL HB 1 1 12 10534 1 1 36 VAL HG11 H 2.408 4.712 3.274 1.00 . A A . 36 VAL HG11 1 1 12 10535 1 1 36 VAL HG12 H 4.100 5.136 3.337 1.00 . A A . 36 VAL HG12 1 1 12 10536 1 1 36 VAL HG13 H 3.038 5.394 4.792 1.00 . A A . 36 VAL HG13 1 1 12 10537 1 1 36 VAL HG21 H 3.607 1.747 2.971 1.00 . A A . 36 VAL HG21 1 1 12 10538 1 1 36 VAL HG22 H 4.984 2.922 2.810 1.00 . A A . 36 VAL HG22 1 1 12 10539 1 1 36 VAL HG23 H 3.406 3.398 2.319 1.00 . A A . 36 VAL HG23 1 1 12 10540 1 1 36 VAL N N 4.833 1.805 5.723 1.00 . A A . 36 VAL N 1 1 12 10541 1 1 36 VAL O O 3.138 3.008 7.366 1.00 . A A . 36 VAL O 1 1 12 10542 1 1 37 SER C C 2.225 6.620 7.029 1.00 . A A . 37 SER C 1 1 12 10543 1 1 37 SER CA C 3.139 5.697 7.853 1.00 . A A . 37 SER CA 1 1 12 10544 1 1 37 SER CB C 4.045 6.494 8.805 1.00 . A A . 37 SER CB 1 1 12 10545 1 1 37 SER H H 4.512 5.716 6.490 1.00 . A A . 37 SER H 1 1 12 10546 1 1 37 SER HA H 2.554 4.968 8.393 1.00 . A A . 37 SER HA 1 1 12 10547 1 1 37 SER HB2 H 4.611 7.205 8.221 1.00 . A A . 37 SER HB2 1 1 12 10548 1 1 37 SER HB3 H 3.450 7.019 9.536 1.00 . A A . 37 SER HB3 1 1 12 10549 1 1 37 SER HG H 4.542 4.746 9.434 1.00 . A A . 37 SER HG 1 1 12 10550 1 1 37 SER N N 3.937 5.034 6.895 1.00 . A A . 37 SER N 1 1 12 10551 1 1 37 SER O O 2.699 7.204 6.032 1.00 . A A . 37 SER O 1 1 12 10552 1 1 37 SER OG O 4.953 5.618 9.464 1.00 . A A . 37 SER OG 1 1 12 10553 1 1 38 PRO C C 0.415 8.846 6.083 1.00 . A A . 38 PRO C 1 1 12 10554 1 1 38 PRO CA C -0.097 7.504 6.633 1.00 . A A . 38 PRO CA 1 1 12 10555 1 1 38 PRO CB C -1.164 7.752 7.701 1.00 . A A . 38 PRO CB 1 1 12 10556 1 1 38 PRO CD C 0.331 6.088 8.594 1.00 . A A . 38 PRO CD 1 1 12 10557 1 1 38 PRO CG C -1.106 6.532 8.569 1.00 . A A . 38 PRO CG 1 1 12 10558 1 1 38 PRO HA H -0.529 6.935 5.820 1.00 . A A . 38 PRO HA 1 1 12 10559 1 1 38 PRO HB2 H -0.908 8.647 8.246 1.00 . A A . 38 PRO HB2 1 1 12 10560 1 1 38 PRO HB3 H -2.134 7.867 7.243 1.00 . A A . 38 PRO HB3 1 1 12 10561 1 1 38 PRO HD2 H 0.812 6.436 9.497 1.00 . A A . 38 PRO HD2 1 1 12 10562 1 1 38 PRO HD3 H 0.402 5.014 8.532 1.00 . A A . 38 PRO HD3 1 1 12 10563 1 1 38 PRO HG2 H -1.421 6.778 9.571 1.00 . A A . 38 PRO HG2 1 1 12 10564 1 1 38 PRO HG3 H -1.738 5.752 8.177 1.00 . A A . 38 PRO HG3 1 1 12 10565 1 1 38 PRO N N 0.927 6.730 7.395 1.00 . A A . 38 PRO N 1 1 12 10566 1 1 38 PRO O O 0.321 9.114 4.883 1.00 . A A . 38 PRO O 1 1 12 10567 1 1 39 GLU C C 2.579 10.874 5.485 1.00 . A A . 39 GLU C 1 1 12 10568 1 1 39 GLU CA C 1.495 10.964 6.568 1.00 . A A . 39 GLU CA 1 1 12 10569 1 1 39 GLU CB C 2.017 11.734 7.790 1.00 . A A . 39 GLU CB 1 1 12 10570 1 1 39 GLU CD C 2.995 13.866 8.706 1.00 . A A . 39 GLU CD 1 1 12 10571 1 1 39 GLU CG C 2.535 13.135 7.478 1.00 . A A . 39 GLU CG 1 1 12 10572 1 1 39 GLU H H 1.100 9.298 7.866 1.00 . A A . 39 GLU H 1 1 12 10573 1 1 39 GLU HA H 0.657 11.509 6.157 1.00 . A A . 39 GLU HA 1 1 12 10574 1 1 39 GLU HB2 H 1.207 11.851 8.495 1.00 . A A . 39 GLU HB2 1 1 12 10575 1 1 39 GLU HB3 H 2.813 11.169 8.250 1.00 . A A . 39 GLU HB3 1 1 12 10576 1 1 39 GLU HG2 H 3.369 13.060 6.793 1.00 . A A . 39 GLU HG2 1 1 12 10577 1 1 39 GLU HG3 H 1.749 13.706 7.011 1.00 . A A . 39 GLU HG3 1 1 12 10578 1 1 39 GLU N N 1.015 9.648 6.951 1.00 . A A . 39 GLU N 1 1 12 10579 1 1 39 GLU O O 2.646 11.724 4.607 1.00 . A A . 39 GLU O 1 1 12 10580 1 1 39 GLU OE1 O 4.174 13.730 9.072 1.00 . A A . 39 GLU OE1 1 1 12 10581 1 1 39 GLU OE2 O 2.187 14.585 9.316 1.00 . A A . 39 GLU OE2 1 1 12 10582 1 1 40 MET C C 3.988 9.428 3.171 1.00 . A A . 40 MET C 1 1 12 10583 1 1 40 MET CA C 4.484 9.668 4.586 1.00 . A A . 40 MET CA 1 1 12 10584 1 1 40 MET CB C 5.425 8.524 5.004 1.00 . A A . 40 MET CB 1 1 12 10585 1 1 40 MET CE C 7.890 7.913 8.326 1.00 . A A . 40 MET CE 1 1 12 10586 1 1 40 MET CG C 6.127 8.729 6.337 1.00 . A A . 40 MET CG 1 1 12 10587 1 1 40 MET H H 3.065 9.057 6.078 1.00 . A A . 40 MET H 1 1 12 10588 1 1 40 MET HA H 5.036 10.594 4.600 1.00 . A A . 40 MET HA 1 1 12 10589 1 1 40 MET HB2 H 4.849 7.611 5.080 1.00 . A A . 40 MET HB2 1 1 12 10590 1 1 40 MET HB3 H 6.184 8.404 4.245 1.00 . A A . 40 MET HB3 1 1 12 10591 1 1 40 MET HE1 H 8.468 8.811 8.159 1.00 . A A . 40 MET HE1 1 1 12 10592 1 1 40 MET HE2 H 8.533 7.147 8.729 1.00 . A A . 40 MET HE2 1 1 12 10593 1 1 40 MET HE3 H 7.088 8.131 9.017 1.00 . A A . 40 MET HE3 1 1 12 10594 1 1 40 MET HG2 H 6.720 9.630 6.304 1.00 . A A . 40 MET HG2 1 1 12 10595 1 1 40 MET HG3 H 5.358 8.823 7.088 1.00 . A A . 40 MET HG3 1 1 12 10596 1 1 40 MET N N 3.359 9.798 5.506 1.00 . A A . 40 MET N 1 1 12 10597 1 1 40 MET O O 4.359 10.129 2.263 1.00 . A A . 40 MET O 1 1 12 10598 1 1 40 MET SD S 7.201 7.337 6.768 1.00 . A A . 40 MET SD 1 1 12 10599 1 1 41 ALA C C 1.585 9.089 1.136 1.00 . A A . 41 ALA C 1 1 12 10600 1 1 41 ALA CA C 2.588 8.101 1.678 1.00 . A A . 41 ALA CA 1 1 12 10601 1 1 41 ALA CB C 1.939 6.773 1.720 1.00 . A A . 41 ALA CB 1 1 12 10602 1 1 41 ALA H H 2.763 7.947 3.782 1.00 . A A . 41 ALA H 1 1 12 10603 1 1 41 ALA HA H 3.420 8.042 0.992 1.00 . A A . 41 ALA HA 1 1 12 10604 1 1 41 ALA HB1 H 1.174 6.857 2.478 1.00 . A A . 41 ALA HB1 1 1 12 10605 1 1 41 ALA HB2 H 2.648 5.978 1.908 1.00 . A A . 41 ALA HB2 1 1 12 10606 1 1 41 ALA HB3 H 1.451 6.616 0.771 1.00 . A A . 41 ALA HB3 1 1 12 10607 1 1 41 ALA N N 3.093 8.464 3.011 1.00 . A A . 41 ALA N 1 1 12 10608 1 1 41 ALA O O 1.426 9.210 -0.065 1.00 . A A . 41 ALA O 1 1 12 10609 1 1 42 GLU C C 0.501 12.047 1.208 1.00 . A A . 42 GLU C 1 1 12 10610 1 1 42 GLU CA C -0.122 10.686 1.526 1.00 . A A . 42 GLU CA 1 1 12 10611 1 1 42 GLU CB C -1.252 10.815 2.549 1.00 . A A . 42 GLU CB 1 1 12 10612 1 1 42 GLU CD C -3.113 9.699 3.842 1.00 . A A . 42 GLU CD 1 1 12 10613 1 1 42 GLU CG C -2.050 9.532 2.774 1.00 . A A . 42 GLU CG 1 1 12 10614 1 1 42 GLU H H 1.020 9.693 2.966 1.00 . A A . 42 GLU H 1 1 12 10615 1 1 42 GLU HA H -0.525 10.275 0.611 1.00 . A A . 42 GLU HA 1 1 12 10616 1 1 42 GLU HB2 H -0.781 11.044 3.492 1.00 . A A . 42 GLU HB2 1 1 12 10617 1 1 42 GLU HB3 H -1.929 11.604 2.261 1.00 . A A . 42 GLU HB3 1 1 12 10618 1 1 42 GLU HG2 H -2.535 9.265 1.846 1.00 . A A . 42 GLU HG2 1 1 12 10619 1 1 42 GLU HG3 H -1.371 8.742 3.063 1.00 . A A . 42 GLU HG3 1 1 12 10620 1 1 42 GLU N N 0.880 9.767 1.996 1.00 . A A . 42 GLU N 1 1 12 10621 1 1 42 GLU O O -0.089 12.859 0.499 1.00 . A A . 42 GLU O 1 1 12 10622 1 1 42 GLU OE1 O -4.199 10.240 3.538 1.00 . A A . 42 GLU OE1 1 1 12 10623 1 1 42 GLU OE2 O -2.878 9.316 5.006 1.00 . A A . 42 GLU OE2 1 1 12 10624 1 1 43 ASN C C 3.499 13.566 0.540 1.00 . A A . 43 ASN C 1 1 12 10625 1 1 43 ASN CA C 2.358 13.564 1.539 1.00 . A A . 43 ASN CA 1 1 12 10626 1 1 43 ASN CB C 2.789 14.208 2.835 1.00 . A A . 43 ASN CB 1 1 12 10627 1 1 43 ASN CG C 1.658 14.838 3.604 1.00 . A A . 43 ASN CG 1 1 12 10628 1 1 43 ASN H H 1.956 11.579 2.377 1.00 . A A . 43 ASN H 1 1 12 10629 1 1 43 ASN HA H 1.600 14.208 1.116 1.00 . A A . 43 ASN HA 1 1 12 10630 1 1 43 ASN HB2 H 3.248 13.454 3.456 1.00 . A A . 43 ASN HB2 1 1 12 10631 1 1 43 ASN HB3 H 3.521 14.947 2.596 1.00 . A A . 43 ASN HB3 1 1 12 10632 1 1 43 ASN HD21 H 1.398 13.174 4.598 1.00 . A A . 43 ASN HD21 1 1 12 10633 1 1 43 ASN HD22 H 0.333 14.497 5.003 1.00 . A A . 43 ASN HD22 1 1 12 10634 1 1 43 ASN N N 1.683 12.294 1.761 1.00 . A A . 43 ASN N 1 1 12 10635 1 1 43 ASN ND2 N 1.065 14.094 4.494 1.00 . A A . 43 ASN ND2 1 1 12 10636 1 1 43 ASN O O 3.556 14.442 -0.332 1.00 . A A . 43 ASN O 1 1 12 10637 1 1 43 ASN OD1 O 1.335 16.006 3.401 1.00 . A A . 43 ASN OD1 1 1 12 10638 1 1 44 GLU C C 5.775 11.392 -0.925 1.00 . A A . 44 GLU C 1 1 12 10639 1 1 44 GLU CA C 5.570 12.681 -0.204 1.00 . A A . 44 GLU CA 1 1 12 10640 1 1 44 GLU CB C 6.822 13.087 0.580 1.00 . A A . 44 GLU CB 1 1 12 10641 1 1 44 GLU CD C 7.961 14.933 1.875 1.00 . A A . 44 GLU CD 1 1 12 10642 1 1 44 GLU CG C 6.674 14.424 1.291 1.00 . A A . 44 GLU CG 1 1 12 10643 1 1 44 GLU H H 4.192 11.847 1.196 1.00 . A A . 44 GLU H 1 1 12 10644 1 1 44 GLU HA H 5.362 13.445 -0.940 1.00 . A A . 44 GLU HA 1 1 12 10645 1 1 44 GLU HB2 H 7.042 12.320 1.307 1.00 . A A . 44 GLU HB2 1 1 12 10646 1 1 44 GLU HB3 H 7.643 13.170 -0.119 1.00 . A A . 44 GLU HB3 1 1 12 10647 1 1 44 GLU HG2 H 6.300 15.143 0.576 1.00 . A A . 44 GLU HG2 1 1 12 10648 1 1 44 GLU HG3 H 5.948 14.314 2.084 1.00 . A A . 44 GLU HG3 1 1 12 10649 1 1 44 GLU N N 4.386 12.624 0.630 1.00 . A A . 44 GLU N 1 1 12 10650 1 1 44 GLU O O 5.205 10.374 -0.532 1.00 . A A . 44 GLU O 1 1 12 10651 1 1 44 GLU OE1 O 8.377 14.464 2.943 1.00 . A A . 44 GLU OE1 1 1 12 10652 1 1 44 GLU OE2 O 8.560 15.854 1.276 1.00 . A A . 44 GLU OE2 1 1 12 10653 1 1 45 ASP C C 7.376 9.139 -1.972 1.00 . A A . 45 ASP C 1 1 12 10654 1 1 45 ASP CA C 6.849 10.270 -2.811 1.00 . A A . 45 ASP CA 1 1 12 10655 1 1 45 ASP CB C 7.808 10.603 -3.983 1.00 . A A . 45 ASP CB 1 1 12 10656 1 1 45 ASP CG C 9.205 11.074 -3.572 1.00 . A A . 45 ASP CG 1 1 12 10657 1 1 45 ASP H H 7.068 12.246 -2.250 1.00 . A A . 45 ASP H 1 1 12 10658 1 1 45 ASP HA H 5.902 9.954 -3.223 1.00 . A A . 45 ASP HA 1 1 12 10659 1 1 45 ASP HB2 H 7.926 9.742 -4.621 1.00 . A A . 45 ASP HB2 1 1 12 10660 1 1 45 ASP HB3 H 7.342 11.389 -4.563 1.00 . A A . 45 ASP HB3 1 1 12 10661 1 1 45 ASP N N 6.590 11.433 -1.988 1.00 . A A . 45 ASP N 1 1 12 10662 1 1 45 ASP O O 8.314 9.309 -1.160 1.00 . A A . 45 ASP O 1 1 12 10663 1 1 45 ASP OD1 O 9.406 12.295 -3.428 1.00 . A A . 45 ASP OD1 1 1 12 10664 1 1 45 ASP OD2 O 10.132 10.242 -3.441 1.00 . A A . 45 ASP OD2 1 1 12 10665 1 1 46 TYR C C 7.934 5.850 -2.102 1.00 . A A . 46 TYR C 1 1 12 10666 1 1 46 TYR CA C 7.157 6.897 -1.326 1.00 . A A . 46 TYR CA 1 1 12 10667 1 1 46 TYR CB C 5.993 6.316 -0.496 1.00 . A A . 46 TYR CB 1 1 12 10668 1 1 46 TYR CD1 C 7.256 5.292 1.438 1.00 . A A . 46 TYR CD1 1 1 12 10669 1 1 46 TYR CD2 C 6.042 3.893 -0.024 1.00 . A A . 46 TYR CD2 1 1 12 10670 1 1 46 TYR CE1 C 7.685 4.195 2.153 1.00 . A A . 46 TYR CE1 1 1 12 10671 1 1 46 TYR CE2 C 6.462 2.778 0.666 1.00 . A A . 46 TYR CE2 1 1 12 10672 1 1 46 TYR CG C 6.418 5.142 0.337 1.00 . A A . 46 TYR CG 1 1 12 10673 1 1 46 TYR CZ C 7.289 2.932 1.755 1.00 . A A . 46 TYR CZ 1 1 12 10674 1 1 46 TYR H H 6.074 7.924 -2.813 1.00 . A A . 46 TYR H 1 1 12 10675 1 1 46 TYR HA H 7.884 7.273 -0.629 1.00 . A A . 46 TYR HA 1 1 12 10676 1 1 46 TYR HB2 H 5.640 7.078 0.184 1.00 . A A . 46 TYR HB2 1 1 12 10677 1 1 46 TYR HB3 H 5.204 5.993 -1.158 1.00 . A A . 46 TYR HB3 1 1 12 10678 1 1 46 TYR HD1 H 7.557 6.283 1.741 1.00 . A A . 46 TYR HD1 1 1 12 10679 1 1 46 TYR HD2 H 5.378 3.867 -0.868 1.00 . A A . 46 TYR HD2 1 1 12 10680 1 1 46 TYR HE1 H 8.330 4.334 3.006 1.00 . A A . 46 TYR HE1 1 1 12 10681 1 1 46 TYR HE2 H 6.143 1.797 0.343 1.00 . A A . 46 TYR HE2 1 1 12 10682 1 1 46 TYR HH H 7.559 1.922 3.381 1.00 . A A . 46 TYR HH 1 1 12 10683 1 1 46 TYR N N 6.775 7.997 -2.121 1.00 . A A . 46 TYR N 1 1 12 10684 1 1 46 TYR O O 7.569 5.436 -3.191 1.00 . A A . 46 TYR O 1 1 12 10685 1 1 46 TYR OH O 7.716 1.832 2.435 1.00 . A A . 46 TYR OH 1 1 12 10686 1 1 47 ILE C C 9.922 3.281 -1.173 1.00 . A A . 47 ILE C 1 1 12 10687 1 1 47 ILE CA C 9.907 4.487 -2.077 1.00 . A A . 47 ILE CA 1 1 12 10688 1 1 47 ILE CB C 11.347 5.066 -2.204 1.00 . A A . 47 ILE CB 1 1 12 10689 1 1 47 ILE CD1 C 10.862 6.200 -4.454 1.00 . A A . 47 ILE CD1 1 1 12 10690 1 1 47 ILE CG1 C 11.348 6.367 -3.036 1.00 . A A . 47 ILE CG1 1 1 12 10691 1 1 47 ILE CG2 C 12.298 4.038 -2.818 1.00 . A A . 47 ILE CG2 1 1 12 10692 1 1 47 ILE H H 9.000 5.906 -0.642 1.00 . A A . 47 ILE H 1 1 12 10693 1 1 47 ILE HA H 9.550 4.175 -3.051 1.00 . A A . 47 ILE HA 1 1 12 10694 1 1 47 ILE HB H 11.700 5.294 -1.206 1.00 . A A . 47 ILE HB 1 1 12 10695 1 1 47 ILE HD11 H 11.498 5.501 -4.977 1.00 . A A . 47 ILE HD11 1 1 12 10696 1 1 47 ILE HD12 H 10.881 7.149 -4.966 1.00 . A A . 47 ILE HD12 1 1 12 10697 1 1 47 ILE HD13 H 9.847 5.834 -4.437 1.00 . A A . 47 ILE HD13 1 1 12 10698 1 1 47 ILE HG12 H 10.697 7.090 -2.564 1.00 . A A . 47 ILE HG12 1 1 12 10699 1 1 47 ILE HG13 H 12.353 6.757 -3.071 1.00 . A A . 47 ILE HG13 1 1 12 10700 1 1 47 ILE HG21 H 12.306 3.148 -2.204 1.00 . A A . 47 ILE HG21 1 1 12 10701 1 1 47 ILE HG22 H 13.296 4.446 -2.877 1.00 . A A . 47 ILE HG22 1 1 12 10702 1 1 47 ILE HG23 H 11.955 3.785 -3.810 1.00 . A A . 47 ILE HG23 1 1 12 10703 1 1 47 ILE N N 9.009 5.450 -1.510 1.00 . A A . 47 ILE N 1 1 12 10704 1 1 47 ILE O O 10.249 3.388 0.008 1.00 . A A . 47 ILE O 1 1 12 10705 1 1 48 CYS C C 10.940 0.481 -0.639 1.00 . A A . 48 CYS C 1 1 12 10706 1 1 48 CYS CA C 9.508 0.933 -0.934 1.00 . A A . 48 CYS CA 1 1 12 10707 1 1 48 CYS CB C 8.783 -0.182 -1.686 1.00 . A A . 48 CYS CB 1 1 12 10708 1 1 48 CYS H H 9.286 2.176 -2.657 1.00 . A A . 48 CYS H 1 1 12 10709 1 1 48 CYS HA H 8.995 1.132 -0.004 1.00 . A A . 48 CYS HA 1 1 12 10710 1 1 48 CYS HB2 H 8.546 -0.954 -0.969 1.00 . A A . 48 CYS HB2 1 1 12 10711 1 1 48 CYS HB3 H 7.866 0.199 -2.108 1.00 . A A . 48 CYS HB3 1 1 12 10712 1 1 48 CYS N N 9.547 2.150 -1.714 1.00 . A A . 48 CYS N 1 1 12 10713 1 1 48 CYS O O 11.896 0.947 -1.281 1.00 . A A . 48 CYS O 1 1 12 10714 1 1 48 CYS SG S 9.752 -0.962 -3.014 1.00 . A A . 48 CYS SG 1 1 12 10715 1 1 49 ILE C C 13.139 -1.673 -0.406 1.00 . A A . 49 ILE C 1 1 12 10716 1 1 49 ILE CA C 12.369 -0.954 0.680 1.00 . A A . 49 ILE CA 1 1 12 10717 1 1 49 ILE CB C 12.233 -1.750 1.956 1.00 . A A . 49 ILE CB 1 1 12 10718 1 1 49 ILE CD1 C 11.835 -4.149 1.135 1.00 . A A . 49 ILE CD1 1 1 12 10719 1 1 49 ILE CG1 C 11.299 -2.925 1.844 1.00 . A A . 49 ILE CG1 1 1 12 10720 1 1 49 ILE CG2 C 11.699 -0.837 2.981 1.00 . A A . 49 ILE CG2 1 1 12 10721 1 1 49 ILE H H 10.312 -0.921 0.666 1.00 . A A . 49 ILE H 1 1 12 10722 1 1 49 ILE HA H 12.910 -0.068 0.945 1.00 . A A . 49 ILE HA 1 1 12 10723 1 1 49 ILE HB H 13.213 -2.089 2.243 1.00 . A A . 49 ILE HB 1 1 12 10724 1 1 49 ILE HD11 H 12.105 -3.886 0.124 1.00 . A A . 49 ILE HD11 1 1 12 10725 1 1 49 ILE HD12 H 11.081 -4.921 1.113 1.00 . A A . 49 ILE HD12 1 1 12 10726 1 1 49 ILE HD13 H 12.705 -4.518 1.659 1.00 . A A . 49 ILE HD13 1 1 12 10727 1 1 49 ILE HG12 H 11.206 -3.108 2.891 1.00 . A A . 49 ILE HG12 1 1 12 10728 1 1 49 ILE HG13 H 10.347 -2.614 1.440 1.00 . A A . 49 ILE HG13 1 1 12 10729 1 1 49 ILE HG21 H 11.557 -1.353 3.921 1.00 . A A . 49 ILE HG21 1 1 12 10730 1 1 49 ILE HG22 H 10.766 -0.546 2.522 1.00 . A A . 49 ILE HG22 1 1 12 10731 1 1 49 ILE HG23 H 12.337 0.028 3.063 1.00 . A A . 49 ILE HG23 1 1 12 10732 1 1 49 ILE N N 11.080 -0.475 0.252 1.00 . A A . 49 ILE N 1 1 12 10733 1 1 49 ILE O O 14.358 -1.770 -0.373 1.00 . A A . 49 ILE O 1 1 12 10734 1 1 50 ASN C C 13.669 -1.868 -3.483 1.00 . A A . 50 ASN C 1 1 12 10735 1 1 50 ASN CA C 12.983 -2.839 -2.532 1.00 . A A . 50 ASN CA 1 1 12 10736 1 1 50 ASN CB C 11.934 -3.656 -3.304 1.00 . A A . 50 ASN CB 1 1 12 10737 1 1 50 ASN CG C 11.392 -4.857 -2.551 1.00 . A A . 50 ASN CG 1 1 12 10738 1 1 50 ASN H H 11.453 -1.971 -1.226 1.00 . A A . 50 ASN H 1 1 12 10739 1 1 50 ASN HA H 13.738 -3.513 -2.153 1.00 . A A . 50 ASN HA 1 1 12 10740 1 1 50 ASN HB2 H 11.103 -3.002 -3.532 1.00 . A A . 50 ASN HB2 1 1 12 10741 1 1 50 ASN HB3 H 12.373 -3.984 -4.231 1.00 . A A . 50 ASN HB3 1 1 12 10742 1 1 50 ASN HD21 H 9.678 -4.714 -3.521 1.00 . A A . 50 ASN HD21 1 1 12 10743 1 1 50 ASN HD22 H 9.818 -6.017 -2.387 1.00 . A A . 50 ASN HD22 1 1 12 10744 1 1 50 ASN N N 12.407 -2.137 -1.372 1.00 . A A . 50 ASN N 1 1 12 10745 1 1 50 ASN ND2 N 10.169 -5.228 -2.845 1.00 . A A . 50 ASN ND2 1 1 12 10746 1 1 50 ASN O O 14.691 -2.182 -4.056 1.00 . A A . 50 ASN O 1 1 12 10747 1 1 50 ASN OD1 O 12.074 -5.452 -1.725 1.00 . A A . 50 ASN OD1 1 1 12 10748 1 1 51 CYS C C 14.622 1.256 -3.770 1.00 . A A . 51 CYS C 1 1 12 10749 1 1 51 CYS CA C 13.656 0.342 -4.517 1.00 . A A . 51 CYS CA 1 1 12 10750 1 1 51 CYS CB C 12.530 1.180 -5.171 1.00 . A A . 51 CYS CB 1 1 12 10751 1 1 51 CYS H H 12.320 -0.487 -3.063 1.00 . A A . 51 CYS H 1 1 12 10752 1 1 51 CYS HA H 14.201 -0.175 -5.293 1.00 . A A . 51 CYS HA 1 1 12 10753 1 1 51 CYS HB2 H 11.938 1.668 -4.415 1.00 . A A . 51 CYS HB2 1 1 12 10754 1 1 51 CYS HB3 H 12.924 1.931 -5.840 1.00 . A A . 51 CYS HB3 1 1 12 10755 1 1 51 CYS N N 13.108 -0.675 -3.613 1.00 . A A . 51 CYS N 1 1 12 10756 1 1 51 CYS O O 15.230 2.157 -4.360 1.00 . A A . 51 CYS O 1 1 12 10757 1 1 51 CYS SG S 11.377 0.244 -6.162 1.00 . A A . 51 CYS SG 1 1 12 10758 1 1 52 ALA C C 17.117 1.453 -1.875 1.00 . A A . 52 ALA C 1 1 12 10759 1 1 52 ALA CA C 15.651 1.814 -1.633 1.00 . A A . 52 ALA CA 1 1 12 10760 1 1 52 ALA CB C 15.286 1.646 -0.159 1.00 . A A . 52 ALA CB 1 1 12 10761 1 1 52 ALA H H 14.272 0.257 -2.095 1.00 . A A . 52 ALA H 1 1 12 10762 1 1 52 ALA HA H 15.495 2.848 -1.904 1.00 . A A . 52 ALA HA 1 1 12 10763 1 1 52 ALA HB1 H 15.411 0.610 0.115 1.00 . A A . 52 ALA HB1 1 1 12 10764 1 1 52 ALA HB2 H 14.252 1.924 -0.015 1.00 . A A . 52 ALA HB2 1 1 12 10765 1 1 52 ALA HB3 H 15.912 2.268 0.466 1.00 . A A . 52 ALA HB3 1 1 12 10766 1 1 52 ALA N N 14.767 1.015 -2.469 1.00 . A A . 52 ALA N 1 1 12 10767 2 2 1 ALA C C 1.399 9.412 -3.725 1.00 . B B . 301 ALA C 1 1 12 10768 2 2 1 ALA CA C 2.876 9.650 -3.439 1.00 . B B . 301 ALA CA 1 1 12 10769 2 2 1 ALA CB C 3.350 8.674 -2.377 1.00 . B B . 301 ALA CB 1 1 12 10770 2 2 1 ALA HA H 3.438 9.471 -4.342 1.00 . B B . 301 ALA HA 1 1 12 10771 2 2 1 ALA HB1 H 2.802 8.846 -1.461 1.00 . B B . 301 ALA HB1 1 1 12 10772 2 2 1 ALA HB2 H 4.403 8.821 -2.189 1.00 . B B . 301 ALA HB2 1 1 12 10773 2 2 1 ALA HB3 H 3.184 7.665 -2.723 1.00 . B B . 301 ALA HB3 1 1 12 10774 2 2 1 ALA N N 3.110 11.058 -3.003 1.00 . B B . 301 ALA N 1 1 12 10775 2 2 1 ALA O O 0.530 10.175 -3.287 1.00 . B B . 301 ALA O 1 1 12 10776 2 2 2 ARG C C -0.756 6.903 -3.934 1.00 . B B . 302 ARG C 1 1 12 10777 2 2 2 ARG CA C -0.263 8.055 -4.762 1.00 . B B . 302 ARG CA 1 1 12 10778 2 2 2 ARG CB C -0.471 7.792 -6.244 1.00 . B B . 302 ARG CB 1 1 12 10779 2 2 2 ARG CD C -0.532 8.683 -8.565 1.00 . B B . 302 ARG CD 1 1 12 10780 2 2 2 ARG CG C -0.210 8.993 -7.121 1.00 . B B . 302 ARG CG 1 1 12 10781 2 2 2 ARG CZ C -0.778 9.924 -10.701 1.00 . B B . 302 ARG CZ 1 1 12 10782 2 2 2 ARG H H 1.841 7.806 -4.774 1.00 . B B . 302 ARG H 1 1 12 10783 2 2 2 ARG HA H -0.845 8.924 -4.490 1.00 . B B . 302 ARG HA 1 1 12 10784 2 2 2 ARG HB2 H 0.196 7.004 -6.559 1.00 . B B . 302 ARG HB2 1 1 12 10785 2 2 2 ARG HB3 H -1.498 7.486 -6.389 1.00 . B B . 302 ARG HB3 1 1 12 10786 2 2 2 ARG HD2 H 0.116 7.886 -8.902 1.00 . B B . 302 ARG HD2 1 1 12 10787 2 2 2 ARG HD3 H -1.561 8.360 -8.636 1.00 . B B . 302 ARG HD3 1 1 12 10788 2 2 2 ARG HE H 0.160 10.583 -9.017 1.00 . B B . 302 ARG HE 1 1 12 10789 2 2 2 ARG HG2 H -0.831 9.809 -6.787 1.00 . B B . 302 ARG HG2 1 1 12 10790 2 2 2 ARG HG3 H 0.828 9.281 -7.047 1.00 . B B . 302 ARG HG3 1 1 12 10791 2 2 2 ARG HH11 H -1.793 8.135 -10.688 1.00 . B B . 302 ARG HH11 1 1 12 10792 2 2 2 ARG HH12 H -1.878 8.974 -12.167 1.00 . B B . 302 ARG HH12 1 1 12 10793 2 2 2 ARG HH21 H 0.029 11.761 -11.056 1.00 . B B . 302 ARG HH21 1 1 12 10794 2 2 2 ARG HH22 H -0.803 11.108 -12.378 1.00 . B B . 302 ARG HH22 1 1 12 10795 2 2 2 ARG N N 1.102 8.369 -4.459 1.00 . B B . 302 ARG N 1 1 12 10796 2 2 2 ARG NE N -0.340 9.842 -9.433 1.00 . B B . 302 ARG NE 1 1 12 10797 2 2 2 ARG NH1 N -1.532 8.945 -11.224 1.00 . B B . 302 ARG NH1 1 1 12 10798 2 2 2 ARG NH2 N -0.502 10.994 -11.429 1.00 . B B . 302 ARG NH2 1 1 12 10799 2 2 2 ARG O O -0.191 5.818 -3.948 1.00 . B B . 302 ARG O 1 1 12 10800 2 2 3 THR C C -3.802 5.892 -2.835 1.00 . B B . 303 THR C 1 1 12 10801 2 2 3 THR CA C -2.386 6.155 -2.379 1.00 . B B . 303 THR CA 1 1 12 10802 2 2 3 THR CB C -2.392 6.640 -0.923 1.00 . B B . 303 THR CB 1 1 12 10803 2 2 3 THR CG2 C -0.997 6.583 -0.338 1.00 . B B . 303 THR CG2 1 1 12 10804 2 2 3 THR H H -2.183 8.037 -3.174 1.00 . B B . 303 THR H 1 1 12 10805 2 2 3 THR HA H -1.785 5.256 -2.436 1.00 . B B . 303 THR HA 1 1 12 10806 2 2 3 THR HB H -3.055 6.019 -0.339 1.00 . B B . 303 THR HB 1 1 12 10807 2 2 3 THR HG1 H -2.754 8.313 0.027 1.00 . B B . 303 THR HG1 1 1 12 10808 2 2 3 THR HG21 H -0.682 5.550 -0.386 1.00 . B B . 303 THR HG21 1 1 12 10809 2 2 3 THR HG22 H -0.997 6.927 0.689 1.00 . B B . 303 THR HG22 1 1 12 10810 2 2 3 THR HG23 H -0.343 7.195 -0.940 1.00 . B B . 303 THR HG23 1 1 12 10811 2 2 3 THR N N -1.782 7.144 -3.204 1.00 . B B . 303 THR N 1 1 12 10812 2 2 3 THR O O -4.321 6.612 -3.698 1.00 . B B . 303 THR O 1 1 12 10813 2 2 3 THR OG1 O -2.895 7.990 -0.869 1.00 . B B . 303 THR OG1 1 1 12 10814 2 2 4 . C C -6.392 3.815 -1.462 1.00 . B B . 304 M3L C 1 1 12 10815 2 2 4 . CA C -5.800 4.585 -2.581 1.00 . B B . 304 M3L CA 1 1 12 10816 2 2 4 . CB C -6.020 3.764 -3.874 1.00 . B B . 304 M3L CB 1 1 12 10817 2 2 4 . CD C -5.786 1.498 -4.977 1.00 . B B . 304 M3L CD 1 1 12 10818 2 2 4 . CE C -5.477 2.074 -6.308 1.00 . B B . 304 M3L CE 1 1 12 10819 2 2 4 . CG C -5.370 2.419 -3.842 1.00 . B B . 304 M3L CG 1 1 12 10820 2 2 4 . CM1 C -4.961 -0.175 -7.271 1.00 . B B . 304 M3L CM1 1 1 12 10821 2 2 4 . CM2 C -5.287 1.783 -8.692 1.00 . B B . 304 M3L CM2 1 1 12 10822 2 2 4 . CM3 C -7.148 0.743 -7.551 1.00 . B B . 304 M3L CM3 1 1 12 10823 2 2 4 . H H -3.949 4.305 -1.629 1.00 . B B . 304 M3L H 1 1 12 10824 2 2 4 . HA H -6.313 5.530 -2.675 1.00 . B B . 304 M3L HA 1 1 12 10825 2 2 4 . HB2 H -5.678 4.309 -4.740 1.00 . B B . 304 M3L HB2 1 1 12 10826 2 2 4 . HB3 H -7.076 3.550 -3.918 1.00 . B B . 304 M3L HB3 1 1 12 10827 2 2 4 . HD2 H -6.846 1.308 -4.917 1.00 . B B . 304 M3L HD2 1 1 12 10828 2 2 4 . HD3 H -5.225 0.578 -4.916 1.00 . B B . 304 M3L HD3 1 1 12 10829 2 2 4 . HE2 H -4.444 2.387 -6.315 1.00 . B B . 304 M3L HE2 1 1 12 10830 2 2 4 . HE3 H -6.127 2.934 -6.390 1.00 . B B . 304 M3L HE3 1 1 12 10831 2 2 4 . HG2 H -5.646 1.954 -2.906 1.00 . B B . 304 M3L HG2 1 1 12 10832 2 2 4 . HG3 H -4.300 2.556 -3.900 1.00 . B B . 304 M3L HG3 1 1 12 10833 2 2 4 . HM11 H -3.892 -0.016 -7.209 1.00 . B B . 304 M3L HM11 1 1 12 10834 2 2 4 . HM12 H -5.081 -0.838 -8.116 1.00 . B B . 304 M3L HM12 1 1 12 10835 2 2 4 . HM13 H -5.238 -0.770 -6.408 1.00 . B B . 304 M3L HM13 1 1 12 10836 2 2 4 . HM21 H -6.075 2.346 -9.166 1.00 . B B . 304 M3L HM21 1 1 12 10837 2 2 4 . HM22 H -4.885 1.118 -9.442 1.00 . B B . 304 M3L HM22 1 1 12 10838 2 2 4 . HM23 H -4.503 2.492 -8.453 1.00 . B B . 304 M3L HM23 1 1 12 10839 2 2 4 . HM31 H -7.308 -0.313 -7.397 1.00 . B B . 304 M3L HM31 1 1 12 10840 2 2 4 . HM32 H -7.584 0.982 -8.511 1.00 . B B . 304 M3L HM32 1 1 12 10841 2 2 4 . HM33 H -7.757 1.246 -6.817 1.00 . B B . 304 M3L HM33 1 1 12 10842 2 2 4 . N N -4.414 4.876 -2.287 1.00 . B B . 304 M3L N 1 1 12 10843 2 2 4 . NZ N -5.729 1.101 -7.449 1.00 . B B . 304 M3L NZ 1 1 12 10844 2 2 4 . O O -5.693 3.352 -0.567 1.00 . B B . 304 M3L O 1 1 12 10845 2 2 5 GLN C C -9.545 2.339 -1.392 1.00 . B B . 305 GLN C 1 1 12 10846 2 2 5 GLN CA C -8.390 2.893 -0.609 1.00 . B B . 305 GLN CA 1 1 12 10847 2 2 5 GLN CB C -8.845 3.793 0.542 1.00 . B B . 305 GLN CB 1 1 12 10848 2 2 5 GLN CD C -9.676 3.963 2.895 1.00 . B B . 305 GLN CD 1 1 12 10849 2 2 5 GLN CG C -9.323 3.041 1.754 1.00 . B B . 305 GLN CG 1 1 12 10850 2 2 5 GLN H H -8.124 4.051 -2.306 1.00 . B B . 305 GLN H 1 1 12 10851 2 2 5 GLN HA H -7.769 2.089 -0.244 1.00 . B B . 305 GLN HA 1 1 12 10852 2 2 5 GLN HB2 H -8.022 4.424 0.844 1.00 . B B . 305 GLN HB2 1 1 12 10853 2 2 5 GLN HB3 H -9.656 4.414 0.192 1.00 . B B . 305 GLN HB3 1 1 12 10854 2 2 5 GLN HE21 H -7.773 4.032 3.447 1.00 . B B . 305 GLN HE21 1 1 12 10855 2 2 5 GLN HE22 H -8.851 4.923 4.437 1.00 . B B . 305 GLN HE22 1 1 12 10856 2 2 5 GLN HG2 H -10.198 2.467 1.487 1.00 . B B . 305 GLN HG2 1 1 12 10857 2 2 5 GLN HG3 H -8.543 2.370 2.077 1.00 . B B . 305 GLN HG3 1 1 12 10858 2 2 5 GLN N N -7.656 3.644 -1.546 1.00 . B B . 305 GLN N 1 1 12 10859 2 2 5 GLN NE2 N -8.684 4.349 3.662 1.00 . B B . 305 GLN NE2 1 1 12 10860 2 2 5 GLN O O -10.455 3.074 -1.770 1.00 . B B . 305 GLN O 1 1 12 10861 2 2 5 GLN OE1 O -10.830 4.378 3.044 1.00 . B B . 305 GLN OE1 1 1 12 10862 2 2 6 THR C C -11.810 0.357 -2.031 1.00 . B B . 306 THR C 1 1 12 10863 2 2 6 THR CA C -10.404 0.438 -2.604 1.00 . B B . 306 THR CA 1 1 12 10864 2 2 6 THR CB C -9.890 -0.945 -3.045 1.00 . B B . 306 THR CB 1 1 12 10865 2 2 6 THR CG2 C -8.692 -0.779 -3.997 1.00 . B B . 306 THR CG2 1 1 12 10866 2 2 6 THR H H -8.744 0.520 -1.331 1.00 . B B . 306 THR H 1 1 12 10867 2 2 6 THR HA H -10.449 1.065 -3.483 1.00 . B B . 306 THR HA 1 1 12 10868 2 2 6 THR HB H -10.679 -1.484 -3.548 1.00 . B B . 306 THR HB 1 1 12 10869 2 2 6 THR HG1 H -9.845 -2.593 -1.993 1.00 . B B . 306 THR HG1 1 1 12 10870 2 2 6 THR HG21 H -8.321 -1.746 -4.311 1.00 . B B . 306 THR HG21 1 1 12 10871 2 2 6 THR HG22 H -7.892 -0.254 -3.489 1.00 . B B . 306 THR HG22 1 1 12 10872 2 2 6 THR HG23 H -8.982 -0.222 -4.875 1.00 . B B . 306 THR HG23 1 1 12 10873 2 2 6 THR N N -9.460 1.071 -1.712 1.00 . B B . 306 THR N 1 1 12 10874 2 2 6 THR O O -12.781 0.605 -2.750 1.00 . B B . 306 THR O 1 1 12 10875 2 2 6 THR OG1 O -9.496 -1.704 -1.872 1.00 . B B . 306 THR OG1 1 1 12 10876 2 2 7 ALA C C -14.081 -1.168 -0.596 1.00 . B B . 307 ALA C 1 1 12 10877 2 2 7 ALA CA C -13.172 -0.081 -0.015 1.00 . B B . 307 ALA CA 1 1 12 10878 2 2 7 ALA CB C -13.907 1.259 0.114 1.00 . B B . 307 ALA CB 1 1 12 10879 2 2 7 ALA H H -11.058 -0.104 -0.259 1.00 . B B . 307 ALA H 1 1 12 10880 2 2 7 ALA HA H -12.904 -0.410 0.978 1.00 . B B . 307 ALA HA 1 1 12 10881 2 2 7 ALA HB1 H -14.736 1.131 0.795 1.00 . B B . 307 ALA HB1 1 1 12 10882 2 2 7 ALA HB2 H -14.275 1.594 -0.844 1.00 . B B . 307 ALA HB2 1 1 12 10883 2 2 7 ALA HB3 H -13.240 2.006 0.526 1.00 . B B . 307 ALA HB3 1 1 12 10884 2 2 7 ALA N N -11.898 0.046 -0.738 1.00 . B B . 307 ALA N 1 1 12 10885 2 2 7 ALA O O -14.851 -0.936 -1.537 1.00 . B B . 307 ALA O 1 1 12 10886 2 2 8 ARG C C -16.131 -3.386 0.151 1.00 . B B . 308 ARG C 1 1 12 10887 2 2 8 ARG CA C -14.744 -3.489 -0.475 1.00 . B B . 308 ARG CA 1 1 12 10888 2 2 8 ARG CB C -14.075 -4.796 -0.018 1.00 . B B . 308 ARG CB 1 1 12 10889 2 2 8 ARG CD C -12.004 -6.226 0.099 1.00 . B B . 308 ARG CD 1 1 12 10890 2 2 8 ARG CG C -12.578 -4.875 -0.303 1.00 . B B . 308 ARG CG 1 1 12 10891 2 2 8 ARG CZ C -12.357 -8.620 -0.503 1.00 . B B . 308 ARG CZ 1 1 12 10892 2 2 8 ARG H H -13.341 -2.467 0.712 1.00 . B B . 308 ARG H 1 1 12 10893 2 2 8 ARG HA H -14.825 -3.477 -1.552 1.00 . B B . 308 ARG HA 1 1 12 10894 2 2 8 ARG HB2 H -14.226 -4.897 1.046 1.00 . B B . 308 ARG HB2 1 1 12 10895 2 2 8 ARG HB3 H -14.559 -5.623 -0.515 1.00 . B B . 308 ARG HB3 1 1 12 10896 2 2 8 ARG HD2 H -10.927 -6.189 0.031 1.00 . B B . 308 ARG HD2 1 1 12 10897 2 2 8 ARG HD3 H -12.282 -6.434 1.122 1.00 . B B . 308 ARG HD3 1 1 12 10898 2 2 8 ARG HE H -12.916 -7.008 -1.593 1.00 . B B . 308 ARG HE 1 1 12 10899 2 2 8 ARG HG2 H -12.379 -4.697 -1.350 1.00 . B B . 308 ARG HG2 1 1 12 10900 2 2 8 ARG HG3 H -12.101 -4.106 0.285 1.00 . B B . 308 ARG HG3 1 1 12 10901 2 2 8 ARG HH11 H -11.590 -8.427 1.406 1.00 . B B . 308 ARG HH11 1 1 12 10902 2 2 8 ARG HH12 H -11.746 -10.029 0.838 1.00 . B B . 308 ARG HH12 1 1 12 10903 2 2 8 ARG HH21 H -13.132 -9.216 -2.288 1.00 . B B . 308 ARG HH21 1 1 12 10904 2 2 8 ARG HH22 H -12.642 -10.484 -1.241 1.00 . B B . 308 ARG HH22 1 1 12 10905 2 2 8 ARG N N -13.967 -2.353 -0.041 1.00 . B B . 308 ARG N 1 1 12 10906 2 2 8 ARG NE N -12.496 -7.311 -0.754 1.00 . B B . 308 ARG NE 1 1 12 10907 2 2 8 ARG NH1 N -11.865 -9.046 0.665 1.00 . B B . 308 ARG NH1 1 1 12 10908 2 2 8 ARG NH2 N -12.737 -9.497 -1.412 1.00 . B B . 308 ARG NH2 1 1 12 10909 2 2 8 ARG O O -16.280 -2.826 1.234 1.00 . B B . 308 ARG O 1 1 12 10910 2 2 9 LYS C C -18.651 -4.694 1.290 1.00 . B B . 309 LYS C 1 1 12 10911 2 2 9 LYS CA C -18.510 -3.858 -0.010 1.00 . B B . 309 LYS CA 1 1 12 10912 2 2 9 LYS CB C -19.468 -4.347 -1.095 1.00 . B B . 309 LYS CB 1 1 12 10913 2 2 9 LYS CD C -21.752 -4.848 -1.901 1.00 . B B . 309 LYS CD 1 1 12 10914 2 2 9 LYS CE C -23.238 -4.846 -1.596 1.00 . B B . 309 LYS CE 1 1 12 10915 2 2 9 LYS CG C -20.928 -4.364 -0.720 1.00 . B B . 309 LYS CG 1 1 12 10916 2 2 9 LYS H H -17.000 -4.281 -1.421 1.00 . B B . 309 LYS H 1 1 12 10917 2 2 9 LYS HA H -18.733 -2.823 0.211 1.00 . B B . 309 LYS HA 1 1 12 10918 2 2 9 LYS HB2 H -19.374 -3.704 -1.959 1.00 . B B . 309 LYS HB2 1 1 12 10919 2 2 9 LYS HB3 H -19.177 -5.345 -1.386 1.00 . B B . 309 LYS HB3 1 1 12 10920 2 2 9 LYS HD2 H -21.545 -4.183 -2.728 1.00 . B B . 309 LYS HD2 1 1 12 10921 2 2 9 LYS HD3 H -21.439 -5.847 -2.171 1.00 . B B . 309 LYS HD3 1 1 12 10922 2 2 9 LYS HE2 H -23.789 -5.238 -2.439 1.00 . B B . 309 LYS HE2 1 1 12 10923 2 2 9 LYS HE3 H -23.422 -5.488 -0.747 1.00 . B B . 309 LYS HE3 1 1 12 10924 2 2 9 LYS HG2 H -21.067 -5.036 0.115 1.00 . B B . 309 LYS HG2 1 1 12 10925 2 2 9 LYS HG3 H -21.245 -3.365 -0.451 1.00 . B B . 309 LYS HG3 1 1 12 10926 2 2 9 LYS HZ1 H -23.576 -2.852 -2.087 1.00 . B B . 309 LYS HZ1 1 1 12 10927 2 2 9 LYS HZ2 H -23.306 -3.083 -0.443 1.00 . B B . 309 LYS HZ2 1 1 12 10928 2 2 9 LYS HZ3 H -24.766 -3.523 -1.157 1.00 . B B . 309 LYS HZ3 1 1 12 10929 2 2 9 LYS N N -17.142 -3.894 -0.531 1.00 . B B . 309 LYS N 1 1 12 10930 2 2 9 LYS NZ N -23.738 -3.500 -1.291 1.00 . B B . 309 LYS NZ 1 1 12 10931 3 3 1 ZN ZN ZN 9.389 0.082 -5.031 1.00 . C A . 53 ZN ZN 1 1 12 10932 4 3 1 ZN ZN ZN 0.475 -5.711 1.241 1.00 . D A . 54 ZN ZN 1 1 13 10933 1 1 1 SER C C -5.175 -8.602 -1.063 1.00 . A A . 1 SER C 1 1 13 10934 1 1 1 SER CA C -6.700 -8.495 -1.221 1.00 . A A . 1 SER CA 1 1 13 10935 1 1 1 SER CB C -7.282 -9.687 -2.023 1.00 . A A . 1 SER CB 1 1 13 10936 1 1 1 SER HA H -7.116 -8.505 -0.225 1.00 . A A . 1 SER HA 1 1 13 10937 1 1 1 SER HB2 H -6.904 -10.617 -1.618 1.00 . A A . 1 SER HB2 1 1 13 10938 1 1 1 SER HB3 H -8.359 -9.677 -1.941 1.00 . A A . 1 SER HB3 1 1 13 10939 1 1 1 SER HG H -7.470 -10.229 -3.909 1.00 . A A . 1 SER HG 1 1 13 10940 1 1 1 SER N N -7.100 -7.203 -1.834 1.00 . A A . 1 SER N 1 1 13 10941 1 1 1 SER O O -4.640 -8.410 0.047 1.00 . A A . 1 SER O 1 1 13 10942 1 1 1 SER OG O -6.927 -9.615 -3.408 1.00 . A A . 1 SER OG 1 1 13 10943 1 1 2 VAL C C -2.389 -7.878 -2.914 1.00 . A A . 2 VAL C 1 1 13 10944 1 1 2 VAL CA C -3.039 -9.020 -2.133 1.00 . A A . 2 VAL CA 1 1 13 10945 1 1 2 VAL CB C -2.561 -10.370 -2.754 1.00 . A A . 2 VAL CB 1 1 13 10946 1 1 2 VAL CG1 C -1.079 -10.621 -2.441 1.00 . A A . 2 VAL CG1 1 1 13 10947 1 1 2 VAL CG2 C -3.423 -11.542 -2.324 1.00 . A A . 2 VAL CG2 1 1 13 10948 1 1 2 VAL H H -4.955 -8.912 -3.018 1.00 . A A . 2 VAL H 1 1 13 10949 1 1 2 VAL HA H -2.755 -8.976 -1.085 1.00 . A A . 2 VAL HA 1 1 13 10950 1 1 2 VAL HB H -2.629 -10.256 -3.826 1.00 . A A . 2 VAL HB 1 1 13 10951 1 1 2 VAL HG11 H -0.491 -9.827 -2.881 1.00 . A A . 2 VAL HG11 1 1 13 10952 1 1 2 VAL HG12 H -0.754 -11.566 -2.847 1.00 . A A . 2 VAL HG12 1 1 13 10953 1 1 2 VAL HG13 H -0.910 -10.617 -1.372 1.00 . A A . 2 VAL HG13 1 1 13 10954 1 1 2 VAL HG21 H -4.445 -11.361 -2.621 1.00 . A A . 2 VAL HG21 1 1 13 10955 1 1 2 VAL HG22 H -3.364 -11.656 -1.255 1.00 . A A . 2 VAL HG22 1 1 13 10956 1 1 2 VAL HG23 H -3.062 -12.446 -2.790 1.00 . A A . 2 VAL HG23 1 1 13 10957 1 1 2 VAL N N -4.476 -8.853 -2.158 1.00 . A A . 2 VAL N 1 1 13 10958 1 1 2 VAL O O -2.936 -7.405 -3.915 1.00 . A A . 2 VAL O 1 1 13 10959 1 1 3 CYS C C 0.843 -6.958 -3.353 1.00 . A A . 3 CYS C 1 1 13 10960 1 1 3 CYS CA C -0.525 -6.364 -3.050 1.00 . A A . 3 CYS CA 1 1 13 10961 1 1 3 CYS CB C -0.315 -5.264 -2.069 1.00 . A A . 3 CYS CB 1 1 13 10962 1 1 3 CYS H H -0.868 -7.850 -1.649 1.00 . A A . 3 CYS H 1 1 13 10963 1 1 3 CYS HA H -1.026 -6.010 -3.942 1.00 . A A . 3 CYS HA 1 1 13 10964 1 1 3 CYS HB2 H -0.102 -4.353 -2.608 1.00 . A A . 3 CYS HB2 1 1 13 10965 1 1 3 CYS HB3 H -1.212 -5.147 -1.477 1.00 . A A . 3 CYS HB3 1 1 13 10966 1 1 3 CYS N N -1.273 -7.431 -2.434 1.00 . A A . 3 CYS N 1 1 13 10967 1 1 3 CYS O O 1.092 -8.115 -2.967 1.00 . A A . 3 CYS O 1 1 13 10968 1 1 3 CYS SG S 1.052 -5.628 -0.954 1.00 . A A . 3 CYS SG 1 1 13 10969 1 1 4 ALA C C 4.078 -6.315 -3.259 1.00 . A A . 4 ALA C 1 1 13 10970 1 1 4 ALA CA C 3.015 -6.845 -4.215 1.00 . A A . 4 ALA CA 1 1 13 10971 1 1 4 ALA CB C 3.474 -6.626 -5.626 1.00 . A A . 4 ALA CB 1 1 13 10972 1 1 4 ALA H H 1.437 -5.314 -4.208 1.00 . A A . 4 ALA H 1 1 13 10973 1 1 4 ALA HA H 2.899 -7.913 -4.075 1.00 . A A . 4 ALA HA 1 1 13 10974 1 1 4 ALA HB1 H 2.723 -6.976 -6.316 1.00 . A A . 4 ALA HB1 1 1 13 10975 1 1 4 ALA HB2 H 4.410 -7.152 -5.760 1.00 . A A . 4 ALA HB2 1 1 13 10976 1 1 4 ALA HB3 H 3.617 -5.558 -5.726 1.00 . A A . 4 ALA HB3 1 1 13 10977 1 1 4 ALA N N 1.737 -6.229 -4.006 1.00 . A A . 4 ALA N 1 1 13 10978 1 1 4 ALA O O 4.996 -5.582 -3.638 1.00 . A A . 4 ALA O 1 1 13 10979 1 1 5 ALA C C 5.440 -8.022 -0.733 1.00 . A A . 5 ALA C 1 1 13 10980 1 1 5 ALA CA C 4.996 -6.604 -1.050 1.00 . A A . 5 ALA CA 1 1 13 10981 1 1 5 ALA CB C 4.558 -5.867 0.227 1.00 . A A . 5 ALA CB 1 1 13 10982 1 1 5 ALA H H 2.985 -6.518 -1.717 1.00 . A A . 5 ALA H 1 1 13 10983 1 1 5 ALA HA H 5.788 -6.037 -1.526 1.00 . A A . 5 ALA HA 1 1 13 10984 1 1 5 ALA HB1 H 5.379 -5.798 0.927 1.00 . A A . 5 ALA HB1 1 1 13 10985 1 1 5 ALA HB2 H 3.733 -6.380 0.704 1.00 . A A . 5 ALA HB2 1 1 13 10986 1 1 5 ALA HB3 H 4.242 -4.866 -0.028 1.00 . A A . 5 ALA HB3 1 1 13 10987 1 1 5 ALA N N 3.901 -6.641 -2.004 1.00 . A A . 5 ALA N 1 1 13 10988 1 1 5 ALA O O 4.600 -8.913 -0.571 1.00 . A A . 5 ALA O 1 1 13 10989 1 1 6 GLN C C 6.779 -10.245 0.837 1.00 . A A . 6 GLN C 1 1 13 10990 1 1 6 GLN CA C 7.349 -9.557 -0.396 1.00 . A A . 6 GLN CA 1 1 13 10991 1 1 6 GLN CB C 8.863 -9.463 -0.297 1.00 . A A . 6 GLN CB 1 1 13 10992 1 1 6 GLN CD C 11.051 -8.987 -1.446 1.00 . A A . 6 GLN CD 1 1 13 10993 1 1 6 GLN CG C 9.545 -9.079 -1.599 1.00 . A A . 6 GLN CG 1 1 13 10994 1 1 6 GLN H H 7.342 -7.478 -0.909 1.00 . A A . 6 GLN H 1 1 13 10995 1 1 6 GLN HA H 7.111 -10.203 -1.225 1.00 . A A . 6 GLN HA 1 1 13 10996 1 1 6 GLN HB2 H 9.119 -8.723 0.449 1.00 . A A . 6 GLN HB2 1 1 13 10997 1 1 6 GLN HB3 H 9.257 -10.421 0.016 1.00 . A A . 6 GLN HB3 1 1 13 10998 1 1 6 GLN HE21 H 11.327 -9.530 -3.328 1.00 . A A . 6 GLN HE21 1 1 13 10999 1 1 6 GLN HE22 H 12.748 -9.247 -2.392 1.00 . A A . 6 GLN HE22 1 1 13 11000 1 1 6 GLN HG2 H 9.310 -9.826 -2.343 1.00 . A A . 6 GLN HG2 1 1 13 11001 1 1 6 GLN HG3 H 9.162 -8.116 -1.919 1.00 . A A . 6 GLN HG3 1 1 13 11002 1 1 6 GLN N N 6.757 -8.232 -0.684 1.00 . A A . 6 GLN N 1 1 13 11003 1 1 6 GLN NE2 N 11.771 -9.278 -2.490 1.00 . A A . 6 GLN NE2 1 1 13 11004 1 1 6 GLN O O 6.372 -11.407 0.773 1.00 . A A . 6 GLN O 1 1 13 11005 1 1 6 GLN OE1 O 11.561 -8.655 -0.380 1.00 . A A . 6 GLN OE1 1 1 13 11006 1 1 7 ASN C C 4.858 -9.474 3.465 1.00 . A A . 7 ASN C 1 1 13 11007 1 1 7 ASN CA C 6.184 -10.130 3.144 1.00 . A A . 7 ASN CA 1 1 13 11008 1 1 7 ASN CB C 7.189 -10.014 4.307 1.00 . A A . 7 ASN CB 1 1 13 11009 1 1 7 ASN CG C 6.728 -10.714 5.602 1.00 . A A . 7 ASN CG 1 1 13 11010 1 1 7 ASN H H 7.025 -8.619 1.944 1.00 . A A . 7 ASN H 1 1 13 11011 1 1 7 ASN HA H 6.002 -11.173 2.932 1.00 . A A . 7 ASN HA 1 1 13 11012 1 1 7 ASN HB2 H 8.115 -10.455 3.975 1.00 . A A . 7 ASN HB2 1 1 13 11013 1 1 7 ASN HB3 H 7.355 -8.968 4.499 1.00 . A A . 7 ASN HB3 1 1 13 11014 1 1 7 ASN HD21 H 5.866 -9.058 6.233 1.00 . A A . 7 ASN HD21 1 1 13 11015 1 1 7 ASN HD22 H 5.756 -10.410 7.297 1.00 . A A . 7 ASN HD22 1 1 13 11016 1 1 7 ASN N N 6.721 -9.548 1.939 1.00 . A A . 7 ASN N 1 1 13 11017 1 1 7 ASN ND2 N 6.048 -9.996 6.461 1.00 . A A . 7 ASN ND2 1 1 13 11018 1 1 7 ASN O O 4.764 -8.606 4.332 1.00 . A A . 7 ASN O 1 1 13 11019 1 1 7 ASN OD1 O 7.001 -11.891 5.814 1.00 . A A . 7 ASN OD1 1 1 13 11020 1 1 8 CYS C C 1.612 -10.135 3.636 1.00 . A A . 8 CYS C 1 1 13 11021 1 1 8 CYS CA C 2.576 -9.222 2.863 1.00 . A A . 8 CYS CA 1 1 13 11022 1 1 8 CYS CB C 1.939 -8.780 1.533 1.00 . A A . 8 CYS CB 1 1 13 11023 1 1 8 CYS H H 3.983 -10.427 1.943 1.00 . A A . 8 CYS H 1 1 13 11024 1 1 8 CYS HA H 2.735 -8.335 3.454 1.00 . A A . 8 CYS HA 1 1 13 11025 1 1 8 CYS HB2 H 2.547 -8.084 0.978 1.00 . A A . 8 CYS HB2 1 1 13 11026 1 1 8 CYS HB3 H 1.812 -9.662 0.921 1.00 . A A . 8 CYS HB3 1 1 13 11027 1 1 8 CYS N N 3.869 -9.789 2.675 1.00 . A A . 8 CYS N 1 1 13 11028 1 1 8 CYS O O 1.704 -11.361 3.601 1.00 . A A . 8 CYS O 1 1 13 11029 1 1 8 CYS SG S 0.297 -8.067 1.757 1.00 . A A . 8 CYS SG 1 1 13 11030 1 1 9 GLN C C -1.679 -9.593 4.251 1.00 . A A . 9 GLN C 1 1 13 11031 1 1 9 GLN CA C -0.425 -10.137 4.941 1.00 . A A . 9 GLN CA 1 1 13 11032 1 1 9 GLN CB C -0.479 -9.901 6.458 1.00 . A A . 9 GLN CB 1 1 13 11033 1 1 9 GLN CD C 0.581 -10.314 8.731 1.00 . A A . 9 GLN CD 1 1 13 11034 1 1 9 GLN CG C 0.718 -10.458 7.223 1.00 . A A . 9 GLN CG 1 1 13 11035 1 1 9 GLN H H 0.975 -8.551 4.306 1.00 . A A . 9 GLN H 1 1 13 11036 1 1 9 GLN HA H -0.343 -11.192 4.723 1.00 . A A . 9 GLN HA 1 1 13 11037 1 1 9 GLN HB2 H -0.522 -8.835 6.628 1.00 . A A . 9 GLN HB2 1 1 13 11038 1 1 9 GLN HB3 H -1.376 -10.356 6.856 1.00 . A A . 9 GLN HB3 1 1 13 11039 1 1 9 GLN HE21 H -0.314 -12.087 8.846 1.00 . A A . 9 GLN HE21 1 1 13 11040 1 1 9 GLN HE22 H -0.105 -11.249 10.333 1.00 . A A . 9 GLN HE22 1 1 13 11041 1 1 9 GLN HG2 H 0.800 -11.509 6.998 1.00 . A A . 9 GLN HG2 1 1 13 11042 1 1 9 GLN HG3 H 1.605 -9.937 6.897 1.00 . A A . 9 GLN HG3 1 1 13 11043 1 1 9 GLN N N 0.717 -9.495 4.330 1.00 . A A . 9 GLN N 1 1 13 11044 1 1 9 GLN NE2 N -0.002 -11.311 9.359 1.00 . A A . 9 GLN NE2 1 1 13 11045 1 1 9 GLN O O -1.784 -8.382 4.024 1.00 . A A . 9 GLN O 1 1 13 11046 1 1 9 GLN OE1 O 1.000 -9.317 9.324 1.00 . A A . 9 GLN OE1 1 1 13 11047 1 1 10 ARG C C -4.887 -9.687 4.199 1.00 . A A . 10 ARG C 1 1 13 11048 1 1 10 ARG CA C -3.806 -10.081 3.197 1.00 . A A . 10 ARG CA 1 1 13 11049 1 1 10 ARG CB C -4.353 -11.230 2.304 1.00 . A A . 10 ARG CB 1 1 13 11050 1 1 10 ARG CD C -2.228 -12.500 1.641 1.00 . A A . 10 ARG CD 1 1 13 11051 1 1 10 ARG CG C -3.446 -11.714 1.163 1.00 . A A . 10 ARG CG 1 1 13 11052 1 1 10 ARG CZ C -0.671 -14.120 0.508 1.00 . A A . 10 ARG CZ 1 1 13 11053 1 1 10 ARG H H -2.617 -11.385 4.193 1.00 . A A . 10 ARG H 1 1 13 11054 1 1 10 ARG HA H -3.557 -9.235 2.577 1.00 . A A . 10 ARG HA 1 1 13 11055 1 1 10 ARG HB2 H -4.564 -12.081 2.936 1.00 . A A . 10 ARG HB2 1 1 13 11056 1 1 10 ARG HB3 H -5.289 -10.906 1.873 1.00 . A A . 10 ARG HB3 1 1 13 11057 1 1 10 ARG HD2 H -1.641 -11.873 2.299 1.00 . A A . 10 ARG HD2 1 1 13 11058 1 1 10 ARG HD3 H -2.571 -13.364 2.190 1.00 . A A . 10 ARG HD3 1 1 13 11059 1 1 10 ARG HE H -1.351 -12.359 -0.261 1.00 . A A . 10 ARG HE 1 1 13 11060 1 1 10 ARG HG2 H -4.028 -12.358 0.522 1.00 . A A . 10 ARG HG2 1 1 13 11061 1 1 10 ARG HG3 H -3.117 -10.850 0.606 1.00 . A A . 10 ARG HG3 1 1 13 11062 1 1 10 ARG HH11 H -1.344 -14.796 2.338 1.00 . A A . 10 ARG HH11 1 1 13 11063 1 1 10 ARG HH12 H -0.236 -15.831 1.560 1.00 . A A . 10 ARG HH12 1 1 13 11064 1 1 10 ARG HH21 H 0.194 -13.861 -1.362 1.00 . A A . 10 ARG HH21 1 1 13 11065 1 1 10 ARG HH22 H 0.633 -15.280 -0.576 1.00 . A A . 10 ARG HH22 1 1 13 11066 1 1 10 ARG N N -2.609 -10.459 3.913 1.00 . A A . 10 ARG N 1 1 13 11067 1 1 10 ARG NE N -1.381 -12.962 0.513 1.00 . A A . 10 ARG NE 1 1 13 11068 1 1 10 ARG NH1 N -0.755 -14.972 1.543 1.00 . A A . 10 ARG NH1 1 1 13 11069 1 1 10 ARG NH2 N 0.099 -14.427 -0.540 1.00 . A A . 10 ARG NH2 1 1 13 11070 1 1 10 ARG O O -5.384 -10.537 4.962 1.00 . A A . 10 ARG O 1 1 13 11071 1 1 11 PRO C C -7.696 -8.284 4.717 1.00 . A A . 11 PRO C 1 1 13 11072 1 1 11 PRO CA C -6.265 -7.908 5.161 1.00 . A A . 11 PRO CA 1 1 13 11073 1 1 11 PRO CB C -6.058 -6.392 5.135 1.00 . A A . 11 PRO CB 1 1 13 11074 1 1 11 PRO CD C -4.676 -7.345 3.397 1.00 . A A . 11 PRO CD 1 1 13 11075 1 1 11 PRO CG C -5.413 -6.099 3.813 1.00 . A A . 11 PRO CG 1 1 13 11076 1 1 11 PRO HA H -6.099 -8.286 6.160 1.00 . A A . 11 PRO HA 1 1 13 11077 1 1 11 PRO HB2 H -7.018 -5.905 5.224 1.00 . A A . 11 PRO HB2 1 1 13 11078 1 1 11 PRO HB3 H -5.420 -6.106 5.957 1.00 . A A . 11 PRO HB3 1 1 13 11079 1 1 11 PRO HD2 H -4.756 -7.569 2.340 1.00 . A A . 11 PRO HD2 1 1 13 11080 1 1 11 PRO HD3 H -3.632 -7.214 3.629 1.00 . A A . 11 PRO HD3 1 1 13 11081 1 1 11 PRO HG2 H -6.179 -5.860 3.092 1.00 . A A . 11 PRO HG2 1 1 13 11082 1 1 11 PRO HG3 H -4.726 -5.270 3.898 1.00 . A A . 11 PRO HG3 1 1 13 11083 1 1 11 PRO N N -5.249 -8.406 4.237 1.00 . A A . 11 PRO N 1 1 13 11084 1 1 11 PRO O O -8.411 -8.994 5.427 1.00 . A A . 11 PRO O 1 1 13 11085 1 1 12 CYS C C -10.583 -7.556 3.788 1.00 . A A . 12 CYS C 1 1 13 11086 1 1 12 CYS CA C -9.407 -8.064 2.930 1.00 . A A . 12 CYS CA 1 1 13 11087 1 1 12 CYS CB C -9.549 -9.556 2.601 1.00 . A A . 12 CYS CB 1 1 13 11088 1 1 12 CYS H H -7.483 -7.218 3.031 1.00 . A A . 12 CYS H 1 1 13 11089 1 1 12 CYS HA H -9.415 -7.507 2.006 1.00 . A A . 12 CYS HA 1 1 13 11090 1 1 12 CYS HB2 H -9.484 -10.116 3.520 1.00 . A A . 12 CYS HB2 1 1 13 11091 1 1 12 CYS HB3 H -10.505 -9.740 2.135 1.00 . A A . 12 CYS HB3 1 1 13 11092 1 1 12 CYS HG H -8.139 -11.476 1.754 1.00 . A A . 12 CYS HG 1 1 13 11093 1 1 12 CYS N N -8.097 -7.788 3.535 1.00 . A A . 12 CYS N 1 1 13 11094 1 1 12 CYS O O -11.721 -8.009 3.641 1.00 . A A . 12 CYS O 1 1 13 11095 1 1 12 CYS SG S -8.259 -10.180 1.489 1.00 . A A . 12 CYS SG 1 1 13 11096 1 1 13 LYS C C -12.110 -4.991 4.546 1.00 . A A . 13 LYS C 1 1 13 11097 1 1 13 LYS CA C -11.322 -5.950 5.441 1.00 . A A . 13 LYS CA 1 1 13 11098 1 1 13 LYS CB C -10.710 -5.189 6.636 1.00 . A A . 13 LYS CB 1 1 13 11099 1 1 13 LYS CD C -9.459 -5.219 8.780 1.00 . A A . 13 LYS CD 1 1 13 11100 1 1 13 LYS CE C -8.857 -6.092 9.841 1.00 . A A . 13 LYS CE 1 1 13 11101 1 1 13 LYS CG C -9.973 -6.055 7.624 1.00 . A A . 13 LYS CG 1 1 13 11102 1 1 13 LYS H H -9.357 -6.381 4.778 1.00 . A A . 13 LYS H 1 1 13 11103 1 1 13 LYS HA H -11.992 -6.711 5.813 1.00 . A A . 13 LYS HA 1 1 13 11104 1 1 13 LYS HB2 H -10.022 -4.433 6.293 1.00 . A A . 13 LYS HB2 1 1 13 11105 1 1 13 LYS HB3 H -11.494 -4.706 7.202 1.00 . A A . 13 LYS HB3 1 1 13 11106 1 1 13 LYS HD2 H -8.706 -4.532 8.427 1.00 . A A . 13 LYS HD2 1 1 13 11107 1 1 13 LYS HD3 H -10.281 -4.661 9.205 1.00 . A A . 13 LYS HD3 1 1 13 11108 1 1 13 LYS HE2 H -9.676 -6.722 10.146 1.00 . A A . 13 LYS HE2 1 1 13 11109 1 1 13 LYS HE3 H -8.060 -6.688 9.416 1.00 . A A . 13 LYS HE3 1 1 13 11110 1 1 13 LYS HG2 H -10.650 -6.802 8.010 1.00 . A A . 13 LYS HG2 1 1 13 11111 1 1 13 LYS HG3 H -9.140 -6.534 7.132 1.00 . A A . 13 LYS HG3 1 1 13 11112 1 1 13 LYS HZ1 H -7.643 -4.622 10.715 1.00 . A A . 13 LYS HZ1 1 1 13 11113 1 1 13 LYS HZ2 H -7.947 -5.942 11.712 1.00 . A A . 13 LYS HZ2 1 1 13 11114 1 1 13 LYS HZ3 H -9.146 -4.791 11.466 1.00 . A A . 13 LYS HZ3 1 1 13 11115 1 1 13 LYS N N -10.296 -6.610 4.658 1.00 . A A . 13 LYS N 1 1 13 11116 1 1 13 LYS NZ N -8.370 -5.308 11.004 1.00 . A A . 13 LYS NZ 1 1 13 11117 1 1 13 LYS O O -11.849 -4.900 3.345 1.00 . A A . 13 LYS O 1 1 13 11118 1 1 14 ASP C C -13.085 -2.262 3.744 1.00 . A A . 14 ASP C 1 1 13 11119 1 1 14 ASP CA C -13.921 -3.362 4.398 1.00 . A A . 14 ASP CA 1 1 13 11120 1 1 14 ASP CB C -14.968 -2.737 5.352 1.00 . A A . 14 ASP CB 1 1 13 11121 1 1 14 ASP CG C -15.877 -3.765 5.996 1.00 . A A . 14 ASP CG 1 1 13 11122 1 1 14 ASP H H -13.206 -4.395 6.095 1.00 . A A . 14 ASP H 1 1 13 11123 1 1 14 ASP HA H -14.436 -3.915 3.628 1.00 . A A . 14 ASP HA 1 1 13 11124 1 1 14 ASP HB2 H -14.453 -2.207 6.139 1.00 . A A . 14 ASP HB2 1 1 13 11125 1 1 14 ASP HB3 H -15.576 -2.035 4.800 1.00 . A A . 14 ASP HB3 1 1 13 11126 1 1 14 ASP N N -13.059 -4.297 5.132 1.00 . A A . 14 ASP N 1 1 13 11127 1 1 14 ASP O O -13.050 -2.122 2.516 1.00 . A A . 14 ASP O 1 1 13 11128 1 1 14 ASP OD1 O -15.437 -4.450 6.956 1.00 . A A . 14 ASP OD1 1 1 13 11129 1 1 14 ASP OD2 O -17.035 -3.913 5.554 1.00 . A A . 14 ASP OD2 1 1 13 11130 1 1 15 LYS C C -10.107 -0.912 4.263 1.00 . A A . 15 LYS C 1 1 13 11131 1 1 15 LYS CA C -11.546 -0.425 4.100 1.00 . A A . 15 LYS CA 1 1 13 11132 1 1 15 LYS CB C -11.773 0.816 4.954 1.00 . A A . 15 LYS CB 1 1 13 11133 1 1 15 LYS CD C -13.483 2.289 6.019 1.00 . A A . 15 LYS CD 1 1 13 11134 1 1 15 LYS CE C -14.946 2.657 6.040 1.00 . A A . 15 LYS CE 1 1 13 11135 1 1 15 LYS CG C -13.206 1.288 4.931 1.00 . A A . 15 LYS CG 1 1 13 11136 1 1 15 LYS H H -12.621 -1.474 5.531 1.00 . A A . 15 LYS H 1 1 13 11137 1 1 15 LYS HA H -11.760 -0.193 3.069 1.00 . A A . 15 LYS HA 1 1 13 11138 1 1 15 LYS HB2 H -11.507 0.582 5.971 1.00 . A A . 15 LYS HB2 1 1 13 11139 1 1 15 LYS HB3 H -11.138 1.610 4.588 1.00 . A A . 15 LYS HB3 1 1 13 11140 1 1 15 LYS HD2 H -13.213 1.864 6.976 1.00 . A A . 15 LYS HD2 1 1 13 11141 1 1 15 LYS HD3 H -12.901 3.177 5.837 1.00 . A A . 15 LYS HD3 1 1 13 11142 1 1 15 LYS HE2 H -15.428 1.693 5.935 1.00 . A A . 15 LYS HE2 1 1 13 11143 1 1 15 LYS HE3 H -15.214 3.126 6.975 1.00 . A A . 15 LYS HE3 1 1 13 11144 1 1 15 LYS HG2 H -13.410 1.747 3.976 1.00 . A A . 15 LYS HG2 1 1 13 11145 1 1 15 LYS HG3 H -13.852 0.433 5.056 1.00 . A A . 15 LYS HG3 1 1 13 11146 1 1 15 LYS HZ1 H -15.250 2.989 3.972 1.00 . A A . 15 LYS HZ1 1 1 13 11147 1 1 15 LYS HZ2 H -14.841 4.381 4.846 1.00 . A A . 15 LYS HZ2 1 1 13 11148 1 1 15 LYS HZ3 H -16.375 3.719 4.981 1.00 . A A . 15 LYS HZ3 1 1 13 11149 1 1 15 LYS N N -12.457 -1.456 4.564 1.00 . A A . 15 LYS N 1 1 13 11150 1 1 15 LYS NZ N -15.366 3.483 4.880 1.00 . A A . 15 LYS NZ 1 1 13 11151 1 1 15 LYS O O -9.688 -1.269 5.373 1.00 . A A . 15 LYS O 1 1 13 11152 1 1 16 VAL C C -7.129 -0.460 2.392 1.00 . A A . 16 VAL C 1 1 13 11153 1 1 16 VAL CA C -7.971 -1.406 3.204 1.00 . A A . 16 VAL CA 1 1 13 11154 1 1 16 VAL CB C -7.781 -2.889 2.717 1.00 . A A . 16 VAL CB 1 1 13 11155 1 1 16 VAL CG1 C -8.518 -3.866 3.616 1.00 . A A . 16 VAL CG1 1 1 13 11156 1 1 16 VAL CG2 C -8.217 -3.066 1.275 1.00 . A A . 16 VAL CG2 1 1 13 11157 1 1 16 VAL H H -9.731 -0.632 2.318 1.00 . A A . 16 VAL H 1 1 13 11158 1 1 16 VAL HA H -7.650 -1.326 4.233 1.00 . A A . 16 VAL HA 1 1 13 11159 1 1 16 VAL HB H -6.727 -3.120 2.787 1.00 . A A . 16 VAL HB 1 1 13 11160 1 1 16 VAL HG11 H -8.363 -4.873 3.255 1.00 . A A . 16 VAL HG11 1 1 13 11161 1 1 16 VAL HG12 H -9.573 -3.633 3.606 1.00 . A A . 16 VAL HG12 1 1 13 11162 1 1 16 VAL HG13 H -8.136 -3.783 4.625 1.00 . A A . 16 VAL HG13 1 1 13 11163 1 1 16 VAL HG21 H -7.604 -2.404 0.680 1.00 . A A . 16 VAL HG21 1 1 13 11164 1 1 16 VAL HG22 H -9.261 -2.810 1.146 1.00 . A A . 16 VAL HG22 1 1 13 11165 1 1 16 VAL HG23 H -8.053 -4.090 0.976 1.00 . A A . 16 VAL HG23 1 1 13 11166 1 1 16 VAL N N -9.359 -0.951 3.168 1.00 . A A . 16 VAL N 1 1 13 11167 1 1 16 VAL O O -7.561 -0.002 1.331 1.00 . A A . 16 VAL O 1 1 13 11168 1 1 17 ASP C C -4.049 0.334 1.387 1.00 . A A . 17 ASP C 1 1 13 11169 1 1 17 ASP CA C -5.121 0.880 2.299 1.00 . A A . 17 ASP CA 1 1 13 11170 1 1 17 ASP CB C -4.453 1.701 3.394 1.00 . A A . 17 ASP CB 1 1 13 11171 1 1 17 ASP CG C -5.415 2.246 4.412 1.00 . A A . 17 ASP CG 1 1 13 11172 1 1 17 ASP H H -5.593 -0.665 3.635 1.00 . A A . 17 ASP H 1 1 13 11173 1 1 17 ASP HA H -5.754 1.541 1.728 1.00 . A A . 17 ASP HA 1 1 13 11174 1 1 17 ASP HB2 H -3.730 1.082 3.904 1.00 . A A . 17 ASP HB2 1 1 13 11175 1 1 17 ASP HB3 H -3.944 2.528 2.921 1.00 . A A . 17 ASP HB3 1 1 13 11176 1 1 17 ASP N N -5.950 -0.169 2.874 1.00 . A A . 17 ASP N 1 1 13 11177 1 1 17 ASP O O -3.488 -0.759 1.626 1.00 . A A . 17 ASP O 1 1 13 11178 1 1 17 ASP OD1 O -6.143 3.210 4.113 1.00 . A A . 17 ASP OD1 1 1 13 11179 1 1 17 ASP OD2 O -5.439 1.707 5.542 1.00 . A A . 17 ASP OD2 1 1 13 11180 1 1 18 TRP C C -1.835 1.934 -0.885 1.00 . A A . 18 TRP C 1 1 13 11181 1 1 18 TRP CA C -2.754 0.725 -0.642 1.00 . A A . 18 TRP CA 1 1 13 11182 1 1 18 TRP CB C -3.415 0.373 -1.975 1.00 . A A . 18 TRP CB 1 1 13 11183 1 1 18 TRP CD1 C -5.669 -0.670 -1.352 1.00 . A A . 18 TRP CD1 1 1 13 11184 1 1 18 TRP CD2 C -4.425 -1.945 -2.665 1.00 . A A . 18 TRP CD2 1 1 13 11185 1 1 18 TRP CE2 C -5.600 -2.628 -2.385 1.00 . A A . 18 TRP CE2 1 1 13 11186 1 1 18 TRP CE3 C -3.501 -2.532 -3.482 1.00 . A A . 18 TRP CE3 1 1 13 11187 1 1 18 TRP CG C -4.464 -0.709 -1.957 1.00 . A A . 18 TRP CG 1 1 13 11188 1 1 18 TRP CH2 C -4.931 -4.432 -3.724 1.00 . A A . 18 TRP CH2 1 1 13 11189 1 1 18 TRP CZ2 C -5.873 -3.880 -2.903 1.00 . A A . 18 TRP CZ2 1 1 13 11190 1 1 18 TRP CZ3 C -3.754 -3.764 -4.013 1.00 . A A . 18 TRP CZ3 1 1 13 11191 1 1 18 TRP H H -4.279 1.923 0.265 1.00 . A A . 18 TRP H 1 1 13 11192 1 1 18 TRP HA H -2.179 -0.118 -0.285 1.00 . A A . 18 TRP HA 1 1 13 11193 1 1 18 TRP HB2 H -3.897 1.274 -2.312 1.00 . A A . 18 TRP HB2 1 1 13 11194 1 1 18 TRP HB3 H -2.653 0.115 -2.694 1.00 . A A . 18 TRP HB3 1 1 13 11195 1 1 18 TRP HD1 H -5.994 0.170 -0.762 1.00 . A A . 18 TRP HD1 1 1 13 11196 1 1 18 TRP HE1 H -7.230 -2.097 -1.230 1.00 . A A . 18 TRP HE1 1 1 13 11197 1 1 18 TRP HE3 H -2.605 -1.990 -3.697 1.00 . A A . 18 TRP HE3 1 1 13 11198 1 1 18 TRP HH2 H -5.075 -5.394 -4.185 1.00 . A A . 18 TRP HH2 1 1 13 11199 1 1 18 TRP HZ2 H -6.798 -4.386 -2.664 1.00 . A A . 18 TRP HZ2 1 1 13 11200 1 1 18 TRP HZ3 H -3.028 -4.230 -4.663 1.00 . A A . 18 TRP HZ3 1 1 13 11201 1 1 18 TRP N N -3.761 1.087 0.348 1.00 . A A . 18 TRP N 1 1 13 11202 1 1 18 TRP NE1 N -6.340 -1.841 -1.568 1.00 . A A . 18 TRP NE1 1 1 13 11203 1 1 18 TRP O O -2.239 3.086 -0.620 1.00 . A A . 18 TRP O 1 1 13 11204 1 1 19 VAL C C 1.055 2.250 -2.980 1.00 . A A . 19 VAL C 1 1 13 11205 1 1 19 VAL CA C 0.373 2.692 -1.702 1.00 . A A . 19 VAL CA 1 1 13 11206 1 1 19 VAL CB C 1.528 2.698 -0.683 1.00 . A A . 19 VAL CB 1 1 13 11207 1 1 19 VAL CG1 C 2.269 4.011 -0.609 1.00 . A A . 19 VAL CG1 1 1 13 11208 1 1 19 VAL CG2 C 1.220 2.059 0.656 1.00 . A A . 19 VAL CG2 1 1 13 11209 1 1 19 VAL H H -0.310 0.776 -1.640 1.00 . A A . 19 VAL H 1 1 13 11210 1 1 19 VAL HA H -0.061 3.677 -1.778 1.00 . A A . 19 VAL HA 1 1 13 11211 1 1 19 VAL HB H 2.244 2.066 -1.186 1.00 . A A . 19 VAL HB 1 1 13 11212 1 1 19 VAL HG11 H 3.047 3.946 0.137 1.00 . A A . 19 VAL HG11 1 1 13 11213 1 1 19 VAL HG12 H 1.568 4.788 -0.346 1.00 . A A . 19 VAL HG12 1 1 13 11214 1 1 19 VAL HG13 H 2.705 4.242 -1.571 1.00 . A A . 19 VAL HG13 1 1 13 11215 1 1 19 VAL HG21 H 2.058 2.241 1.309 1.00 . A A . 19 VAL HG21 1 1 13 11216 1 1 19 VAL HG22 H 1.109 0.989 0.496 1.00 . A A . 19 VAL HG22 1 1 13 11217 1 1 19 VAL HG23 H 0.331 2.502 1.078 1.00 . A A . 19 VAL HG23 1 1 13 11218 1 1 19 VAL N N -0.627 1.677 -1.403 1.00 . A A . 19 VAL N 1 1 13 11219 1 1 19 VAL O O 1.233 1.057 -3.170 1.00 . A A . 19 VAL O 1 1 13 11220 1 1 20 GLN C C 3.596 3.328 -4.849 1.00 . A A . 20 GLN C 1 1 13 11221 1 1 20 GLN CA C 2.186 2.790 -5.006 1.00 . A A . 20 GLN CA 1 1 13 11222 1 1 20 GLN CB C 1.568 3.321 -6.290 1.00 . A A . 20 GLN CB 1 1 13 11223 1 1 20 GLN CD C 1.183 2.817 -8.762 1.00 . A A . 20 GLN CD 1 1 13 11224 1 1 20 GLN CG C 1.718 2.330 -7.442 1.00 . A A . 20 GLN CG 1 1 13 11225 1 1 20 GLN H H 1.054 4.056 -3.644 1.00 . A A . 20 GLN H 1 1 13 11226 1 1 20 GLN HA H 2.228 1.710 -5.043 1.00 . A A . 20 GLN HA 1 1 13 11227 1 1 20 GLN HB2 H 0.533 3.561 -6.107 1.00 . A A . 20 GLN HB2 1 1 13 11228 1 1 20 GLN HB3 H 2.079 4.232 -6.559 1.00 . A A . 20 GLN HB3 1 1 13 11229 1 1 20 GLN HE21 H 2.350 1.538 -9.711 1.00 . A A . 20 GLN HE21 1 1 13 11230 1 1 20 GLN HE22 H 1.349 2.527 -10.693 1.00 . A A . 20 GLN HE22 1 1 13 11231 1 1 20 GLN HG2 H 2.765 2.114 -7.579 1.00 . A A . 20 GLN HG2 1 1 13 11232 1 1 20 GLN HG3 H 1.197 1.425 -7.166 1.00 . A A . 20 GLN HG3 1 1 13 11233 1 1 20 GLN N N 1.408 3.159 -3.840 1.00 . A A . 20 GLN N 1 1 13 11234 1 1 20 GLN NE2 N 1.674 2.245 -9.820 1.00 . A A . 20 GLN NE2 1 1 13 11235 1 1 20 GLN O O 3.771 4.436 -4.356 1.00 . A A . 20 GLN O 1 1 13 11236 1 1 20 GLN OE1 O 0.280 3.642 -8.821 1.00 . A A . 20 GLN OE1 1 1 13 11237 1 1 21 CYS C C 6.385 3.952 -6.221 1.00 . A A . 21 CYS C 1 1 13 11238 1 1 21 CYS CA C 6.005 2.963 -5.114 1.00 . A A . 21 CYS CA 1 1 13 11239 1 1 21 CYS CB C 6.871 1.742 -5.281 1.00 . A A . 21 CYS CB 1 1 13 11240 1 1 21 CYS H H 4.469 1.623 -5.559 1.00 . A A . 21 CYS H 1 1 13 11241 1 1 21 CYS HA H 6.199 3.393 -4.142 1.00 . A A . 21 CYS HA 1 1 13 11242 1 1 21 CYS HB2 H 6.462 0.890 -4.767 1.00 . A A . 21 CYS HB2 1 1 13 11243 1 1 21 CYS HB3 H 6.861 1.505 -6.335 1.00 . A A . 21 CYS HB3 1 1 13 11244 1 1 21 CYS N N 4.598 2.541 -5.218 1.00 . A A . 21 CYS N 1 1 13 11245 1 1 21 CYS O O 6.000 3.781 -7.374 1.00 . A A . 21 CYS O 1 1 13 11246 1 1 21 CYS SG S 8.597 1.882 -4.791 1.00 . A A . 21 CYS SG 1 1 13 11247 1 1 22 ASP C C 9.162 5.677 -7.105 1.00 . A A . 22 ASP C 1 1 13 11248 1 1 22 ASP CA C 7.693 5.945 -6.810 1.00 . A A . 22 ASP CA 1 1 13 11249 1 1 22 ASP CB C 7.592 7.358 -6.224 1.00 . A A . 22 ASP CB 1 1 13 11250 1 1 22 ASP CG C 6.197 7.815 -5.944 1.00 . A A . 22 ASP CG 1 1 13 11251 1 1 22 ASP H H 7.386 5.029 -4.902 1.00 . A A . 22 ASP H 1 1 13 11252 1 1 22 ASP HA H 7.119 5.902 -7.724 1.00 . A A . 22 ASP HA 1 1 13 11253 1 1 22 ASP HB2 H 8.132 7.391 -5.289 1.00 . A A . 22 ASP HB2 1 1 13 11254 1 1 22 ASP HB3 H 8.043 8.049 -6.921 1.00 . A A . 22 ASP HB3 1 1 13 11255 1 1 22 ASP N N 7.175 4.945 -5.860 1.00 . A A . 22 ASP N 1 1 13 11256 1 1 22 ASP O O 9.842 6.488 -7.723 1.00 . A A . 22 ASP O 1 1 13 11257 1 1 22 ASP OD1 O 5.539 8.339 -6.878 1.00 . A A . 22 ASP OD1 1 1 13 11258 1 1 22 ASP OD2 O 5.759 7.706 -4.785 1.00 . A A . 22 ASP OD2 1 1 13 11259 1 1 23 GLY C C 11.468 3.266 -7.914 1.00 . A A . 23 GLY C 1 1 13 11260 1 1 23 GLY CA C 11.082 4.253 -6.817 1.00 . A A . 23 GLY CA 1 1 13 11261 1 1 23 GLY H H 9.061 3.838 -6.320 1.00 . A A . 23 GLY H 1 1 13 11262 1 1 23 GLY HA2 H 11.580 5.186 -7.026 1.00 . A A . 23 GLY HA2 1 1 13 11263 1 1 23 GLY HA3 H 11.458 3.895 -5.873 1.00 . A A . 23 GLY HA3 1 1 13 11264 1 1 23 GLY N N 9.654 4.520 -6.691 1.00 . A A . 23 GLY N 1 1 13 11265 1 1 23 GLY O O 12.620 2.837 -7.973 1.00 . A A . 23 GLY O 1 1 13 11266 1 1 24 GLY C C 10.062 0.757 -10.015 1.00 . A A . 24 GLY C 1 1 13 11267 1 1 24 GLY CA C 10.897 2.017 -9.867 1.00 . A A . 24 GLY CA 1 1 13 11268 1 1 24 GLY H H 9.643 3.262 -8.630 1.00 . A A . 24 GLY H 1 1 13 11269 1 1 24 GLY HA2 H 10.805 2.589 -10.781 1.00 . A A . 24 GLY HA2 1 1 13 11270 1 1 24 GLY HA3 H 11.935 1.738 -9.742 1.00 . A A . 24 GLY HA3 1 1 13 11271 1 1 24 GLY N N 10.537 2.889 -8.758 1.00 . A A . 24 GLY N 1 1 13 11272 1 1 24 GLY O O 9.830 0.317 -11.128 1.00 . A A . 24 GLY O 1 1 13 11273 1 1 25 CYS C C 7.391 -0.769 -9.460 1.00 . A A . 25 CYS C 1 1 13 11274 1 1 25 CYS CA C 8.829 -1.099 -9.061 1.00 . A A . 25 CYS CA 1 1 13 11275 1 1 25 CYS CB C 8.862 -2.043 -7.820 1.00 . A A . 25 CYS CB 1 1 13 11276 1 1 25 CYS H H 9.927 0.486 -8.045 1.00 . A A . 25 CYS H 1 1 13 11277 1 1 25 CYS HA H 9.257 -1.623 -9.906 1.00 . A A . 25 CYS HA 1 1 13 11278 1 1 25 CYS HB2 H 8.379 -2.975 -8.081 1.00 . A A . 25 CYS HB2 1 1 13 11279 1 1 25 CYS HB3 H 9.898 -2.235 -7.579 1.00 . A A . 25 CYS HB3 1 1 13 11280 1 1 25 CYS N N 9.638 0.130 -8.909 1.00 . A A . 25 CYS N 1 1 13 11281 1 1 25 CYS O O 6.692 -1.611 -10.007 1.00 . A A . 25 CYS O 1 1 13 11282 1 1 25 CYS SG S 8.038 -1.443 -6.320 1.00 . A A . 25 CYS SG 1 1 13 11283 1 1 26 ASP C C 4.481 0.076 -9.140 1.00 . A A . 26 ASP C 1 1 13 11284 1 1 26 ASP CA C 5.630 1.027 -9.528 1.00 . A A . 26 ASP CA 1 1 13 11285 1 1 26 ASP CB C 5.535 1.419 -11.012 1.00 . A A . 26 ASP CB 1 1 13 11286 1 1 26 ASP CG C 6.378 2.641 -11.375 1.00 . A A . 26 ASP CG 1 1 13 11287 1 1 26 ASP H H 7.673 1.185 -9.054 1.00 . A A . 26 ASP H 1 1 13 11288 1 1 26 ASP HA H 5.497 1.928 -8.947 1.00 . A A . 26 ASP HA 1 1 13 11289 1 1 26 ASP HB2 H 5.871 0.591 -11.620 1.00 . A A . 26 ASP HB2 1 1 13 11290 1 1 26 ASP HB3 H 4.501 1.632 -11.237 1.00 . A A . 26 ASP HB3 1 1 13 11291 1 1 26 ASP N N 6.997 0.506 -9.244 1.00 . A A . 26 ASP N 1 1 13 11292 1 1 26 ASP O O 3.424 0.088 -9.769 1.00 . A A . 26 ASP O 1 1 13 11293 1 1 26 ASP OD1 O 7.575 2.678 -11.033 1.00 . A A . 26 ASP OD1 1 1 13 11294 1 1 26 ASP OD2 O 5.852 3.555 -12.050 1.00 . A A . 26 ASP OD2 1 1 13 11295 1 1 27 GLU C C 2.879 -1.122 -6.461 1.00 . A A . 27 GLU C 1 1 13 11296 1 1 27 GLU CA C 3.614 -1.592 -7.686 1.00 . A A . 27 GLU CA 1 1 13 11297 1 1 27 GLU CB C 4.123 -3.016 -7.531 1.00 . A A . 27 GLU CB 1 1 13 11298 1 1 27 GLU CD C 4.855 -5.120 -8.724 1.00 . A A . 27 GLU CD 1 1 13 11299 1 1 27 GLU CG C 4.590 -3.638 -8.830 1.00 . A A . 27 GLU CG 1 1 13 11300 1 1 27 GLU H H 5.443 -0.566 -7.522 1.00 . A A . 27 GLU H 1 1 13 11301 1 1 27 GLU HA H 2.899 -1.575 -8.496 1.00 . A A . 27 GLU HA 1 1 13 11302 1 1 27 GLU HB2 H 4.950 -3.004 -6.837 1.00 . A A . 27 GLU HB2 1 1 13 11303 1 1 27 GLU HB3 H 3.329 -3.608 -7.120 1.00 . A A . 27 GLU HB3 1 1 13 11304 1 1 27 GLU HG2 H 3.819 -3.493 -9.573 1.00 . A A . 27 GLU HG2 1 1 13 11305 1 1 27 GLU HG3 H 5.497 -3.139 -9.145 1.00 . A A . 27 GLU HG3 1 1 13 11306 1 1 27 GLU N N 4.642 -0.680 -8.069 1.00 . A A . 27 GLU N 1 1 13 11307 1 1 27 GLU O O 3.345 -0.219 -5.747 1.00 . A A . 27 GLU O 1 1 13 11308 1 1 27 GLU OE1 O 3.910 -5.907 -8.968 1.00 . A A . 27 GLU OE1 1 1 13 11309 1 1 27 GLU OE2 O 6.004 -5.533 -8.440 1.00 . A A . 27 GLU OE2 1 1 13 11310 1 1 28 TRP C C 1.111 -2.265 -3.919 1.00 . A A . 28 TRP C 1 1 13 11311 1 1 28 TRP CA C 0.883 -1.359 -5.112 1.00 . A A . 28 TRP CA 1 1 13 11312 1 1 28 TRP CB C -0.593 -1.405 -5.485 1.00 . A A . 28 TRP CB 1 1 13 11313 1 1 28 TRP CD1 C -1.166 -0.462 -7.807 1.00 . A A . 28 TRP CD1 1 1 13 11314 1 1 28 TRP CD2 C -1.490 0.952 -6.116 1.00 . A A . 28 TRP CD2 1 1 13 11315 1 1 28 TRP CE2 C -1.853 1.585 -7.313 1.00 . A A . 28 TRP CE2 1 1 13 11316 1 1 28 TRP CE3 C -1.606 1.655 -4.925 1.00 . A A . 28 TRP CE3 1 1 13 11317 1 1 28 TRP CG C -1.055 -0.360 -6.449 1.00 . A A . 28 TRP CG 1 1 13 11318 1 1 28 TRP CH2 C -2.436 3.544 -6.172 1.00 . A A . 28 TRP CH2 1 1 13 11319 1 1 28 TRP CZ2 C -2.331 2.877 -7.350 1.00 . A A . 28 TRP CZ2 1 1 13 11320 1 1 28 TRP CZ3 C -2.079 2.945 -4.964 1.00 . A A . 28 TRP CZ3 1 1 13 11321 1 1 28 TRP H H 1.430 -2.446 -6.809 1.00 . A A . 28 TRP H 1 1 13 11322 1 1 28 TRP HA H 1.126 -0.346 -4.829 1.00 . A A . 28 TRP HA 1 1 13 11323 1 1 28 TRP HB2 H -0.851 -2.371 -5.895 1.00 . A A . 28 TRP HB2 1 1 13 11324 1 1 28 TRP HB3 H -1.126 -1.258 -4.562 1.00 . A A . 28 TRP HB3 1 1 13 11325 1 1 28 TRP HD1 H -0.922 -1.327 -8.395 1.00 . A A . 28 TRP HD1 1 1 13 11326 1 1 28 TRP HE1 H -1.815 0.870 -9.281 1.00 . A A . 28 TRP HE1 1 1 13 11327 1 1 28 TRP HE3 H -1.334 1.210 -3.980 1.00 . A A . 28 TRP HE3 1 1 13 11328 1 1 28 TRP HH2 H -2.806 4.554 -6.150 1.00 . A A . 28 TRP HH2 1 1 13 11329 1 1 28 TRP HZ2 H -2.602 3.335 -8.285 1.00 . A A . 28 TRP HZ2 1 1 13 11330 1 1 28 TRP HZ3 H -2.182 3.504 -4.045 1.00 . A A . 28 TRP HZ3 1 1 13 11331 1 1 28 TRP N N 1.726 -1.717 -6.227 1.00 . A A . 28 TRP N 1 1 13 11332 1 1 28 TRP NE1 N -1.651 0.699 -8.326 1.00 . A A . 28 TRP NE1 1 1 13 11333 1 1 28 TRP O O 1.175 -3.486 -4.050 1.00 . A A . 28 TRP O 1 1 13 11334 1 1 29 PHE C C 0.437 -1.769 -0.449 1.00 . A A . 29 PHE C 1 1 13 11335 1 1 29 PHE CA C 1.399 -2.297 -1.482 1.00 . A A . 29 PHE CA 1 1 13 11336 1 1 29 PHE CB C 2.823 -2.197 -0.973 1.00 . A A . 29 PHE CB 1 1 13 11337 1 1 29 PHE CD1 C 3.722 0.119 -1.063 1.00 . A A . 29 PHE CD1 1 1 13 11338 1 1 29 PHE CD2 C 4.463 -1.422 -2.702 1.00 . A A . 29 PHE CD2 1 1 13 11339 1 1 29 PHE CE1 C 4.522 1.067 -1.599 1.00 . A A . 29 PHE CE1 1 1 13 11340 1 1 29 PHE CE2 C 5.253 -0.479 -3.235 1.00 . A A . 29 PHE CE2 1 1 13 11341 1 1 29 PHE CG C 3.670 -1.136 -1.595 1.00 . A A . 29 PHE CG 1 1 13 11342 1 1 29 PHE CZ C 5.288 0.770 -2.680 1.00 . A A . 29 PHE CZ 1 1 13 11343 1 1 29 PHE H H 1.230 -0.663 -2.829 1.00 . A A . 29 PHE H 1 1 13 11344 1 1 29 PHE HA H 1.162 -3.341 -1.621 1.00 . A A . 29 PHE HA 1 1 13 11345 1 1 29 PHE HB2 H 2.748 -1.939 0.075 1.00 . A A . 29 PHE HB2 1 1 13 11346 1 1 29 PHE HB3 H 3.327 -3.135 -1.029 1.00 . A A . 29 PHE HB3 1 1 13 11347 1 1 29 PHE HD1 H 3.112 0.373 -0.215 1.00 . A A . 29 PHE HD1 1 1 13 11348 1 1 29 PHE HD2 H 4.462 -2.381 -3.194 1.00 . A A . 29 PHE HD2 1 1 13 11349 1 1 29 PHE HE1 H 4.545 2.054 -1.164 1.00 . A A . 29 PHE HE1 1 1 13 11350 1 1 29 PHE HE2 H 5.852 -0.736 -4.097 1.00 . A A . 29 PHE HE2 1 1 13 11351 1 1 29 PHE HZ H 5.931 1.512 -3.121 1.00 . A A . 29 PHE HZ 1 1 13 11352 1 1 29 PHE N N 1.230 -1.645 -2.776 1.00 . A A . 29 PHE N 1 1 13 11353 1 1 29 PHE O O -0.278 -0.853 -0.711 1.00 . A A . 29 PHE O 1 1 13 11354 1 1 30 HIS C C 0.428 -1.151 2.732 1.00 . A A . 30 HIS C 1 1 13 11355 1 1 30 HIS CA C -0.452 -1.902 1.779 1.00 . A A . 30 HIS CA 1 1 13 11356 1 1 30 HIS CB C -1.103 -3.035 2.552 1.00 . A A . 30 HIS CB 1 1 13 11357 1 1 30 HIS CD2 C -3.359 -3.934 1.618 1.00 . A A . 30 HIS CD2 1 1 13 11358 1 1 30 HIS CE1 C -2.621 -5.865 0.863 1.00 . A A . 30 HIS CE1 1 1 13 11359 1 1 30 HIS CG C -2.016 -3.956 1.797 1.00 . A A . 30 HIS CG 1 1 13 11360 1 1 30 HIS H H 1.036 -3.133 0.828 1.00 . A A . 30 HIS H 1 1 13 11361 1 1 30 HIS HA H -1.211 -1.250 1.369 1.00 . A A . 30 HIS HA 1 1 13 11362 1 1 30 HIS HB2 H -0.326 -3.651 2.978 1.00 . A A . 30 HIS HB2 1 1 13 11363 1 1 30 HIS HB3 H -1.659 -2.604 3.371 1.00 . A A . 30 HIS HB3 1 1 13 11364 1 1 30 HIS HD2 H -4.021 -3.126 1.884 1.00 . A A . 30 HIS HD2 1 1 13 11365 1 1 30 HIS HE1 H -2.576 -6.907 0.558 1.00 . A A . 30 HIS HE1 1 1 13 11366 1 1 30 HIS HE2 H -4.494 -5.227 0.442 1.00 . A A . 30 HIS HE2 1 1 13 11367 1 1 30 HIS N N 0.399 -2.390 0.716 1.00 . A A . 30 HIS N 1 1 13 11368 1 1 30 HIS ND1 N -1.592 -5.163 1.296 1.00 . A A . 30 HIS ND1 1 1 13 11369 1 1 30 HIS NE2 N -3.716 -5.136 1.032 1.00 . A A . 30 HIS NE2 1 1 13 11370 1 1 30 HIS O O 1.535 -1.589 2.991 1.00 . A A . 30 HIS O 1 1 13 11371 1 1 31 GLN C C 1.278 -0.046 5.331 1.00 . A A . 31 GLN C 1 1 13 11372 1 1 31 GLN CA C 0.651 0.793 4.207 1.00 . A A . 31 GLN CA 1 1 13 11373 1 1 31 GLN CB C -0.359 1.748 4.813 1.00 . A A . 31 GLN CB 1 1 13 11374 1 1 31 GLN CD C -0.485 3.892 3.444 1.00 . A A . 31 GLN CD 1 1 13 11375 1 1 31 GLN CG C -1.110 2.565 3.779 1.00 . A A . 31 GLN CG 1 1 13 11376 1 1 31 GLN H H -0.955 0.249 2.992 1.00 . A A . 31 GLN H 1 1 13 11377 1 1 31 GLN HA H 1.403 1.363 3.682 1.00 . A A . 31 GLN HA 1 1 13 11378 1 1 31 GLN HB2 H -1.066 1.203 5.419 1.00 . A A . 31 GLN HB2 1 1 13 11379 1 1 31 GLN HB3 H 0.199 2.435 5.436 1.00 . A A . 31 GLN HB3 1 1 13 11380 1 1 31 GLN HE21 H -1.253 3.833 1.619 1.00 . A A . 31 GLN HE21 1 1 13 11381 1 1 31 GLN HE22 H -0.308 5.219 2.015 1.00 . A A . 31 GLN HE22 1 1 13 11382 1 1 31 GLN HG2 H -0.970 1.962 2.889 1.00 . A A . 31 GLN HG2 1 1 13 11383 1 1 31 GLN HG3 H -2.157 2.677 4.023 1.00 . A A . 31 GLN HG3 1 1 13 11384 1 1 31 GLN N N -0.064 -0.057 3.256 1.00 . A A . 31 GLN N 1 1 13 11385 1 1 31 GLN NE2 N -0.704 4.354 2.241 1.00 . A A . 31 GLN NE2 1 1 13 11386 1 1 31 GLN O O 2.461 0.049 5.597 1.00 . A A . 31 GLN O 1 1 13 11387 1 1 31 GLN OE1 O 0.161 4.508 4.268 1.00 . A A . 31 GLN OE1 1 1 13 11388 1 1 32 VAL C C 1.928 -2.814 6.688 1.00 . A A . 32 VAL C 1 1 13 11389 1 1 32 VAL CA C 0.929 -1.705 7.068 1.00 . A A . 32 VAL CA 1 1 13 11390 1 1 32 VAL CB C -0.267 -2.316 7.847 1.00 . A A . 32 VAL CB 1 1 13 11391 1 1 32 VAL CG1 C -1.139 -1.208 8.420 1.00 . A A . 32 VAL CG1 1 1 13 11392 1 1 32 VAL CG2 C -1.099 -3.227 6.933 1.00 . A A . 32 VAL CG2 1 1 13 11393 1 1 32 VAL H H -0.439 -1.053 5.643 1.00 . A A . 32 VAL H 1 1 13 11394 1 1 32 VAL HA H 1.440 -1.031 7.743 1.00 . A A . 32 VAL HA 1 1 13 11395 1 1 32 VAL HB H 0.134 -2.909 8.656 1.00 . A A . 32 VAL HB 1 1 13 11396 1 1 32 VAL HG11 H -1.510 -0.609 7.601 1.00 . A A . 32 VAL HG11 1 1 13 11397 1 1 32 VAL HG12 H -0.547 -0.581 9.074 1.00 . A A . 32 VAL HG12 1 1 13 11398 1 1 32 VAL HG13 H -1.976 -1.642 8.952 1.00 . A A . 32 VAL HG13 1 1 13 11399 1 1 32 VAL HG21 H -1.494 -2.644 6.114 1.00 . A A . 32 VAL HG21 1 1 13 11400 1 1 32 VAL HG22 H -1.910 -3.663 7.500 1.00 . A A . 32 VAL HG22 1 1 13 11401 1 1 32 VAL HG23 H -0.454 -3.991 6.524 1.00 . A A . 32 VAL HG23 1 1 13 11402 1 1 32 VAL N N 0.482 -0.903 5.941 1.00 . A A . 32 VAL N 1 1 13 11403 1 1 32 VAL O O 2.771 -3.177 7.493 1.00 . A A . 32 VAL O 1 1 13 11404 1 1 33 CYS C C 4.049 -4.047 4.613 1.00 . A A . 33 CYS C 1 1 13 11405 1 1 33 CYS CA C 2.670 -4.493 5.108 1.00 . A A . 33 CYS CA 1 1 13 11406 1 1 33 CYS CB C 1.976 -5.395 4.048 1.00 . A A . 33 CYS CB 1 1 13 11407 1 1 33 CYS H H 1.270 -2.958 4.772 1.00 . A A . 33 CYS H 1 1 13 11408 1 1 33 CYS HA H 2.819 -5.075 6.007 1.00 . A A . 33 CYS HA 1 1 13 11409 1 1 33 CYS HB2 H 2.549 -6.280 3.830 1.00 . A A . 33 CYS HB2 1 1 13 11410 1 1 33 CYS HB3 H 0.990 -5.671 4.371 1.00 . A A . 33 CYS HB3 1 1 13 11411 1 1 33 CYS N N 1.834 -3.348 5.470 1.00 . A A . 33 CYS N 1 1 13 11412 1 1 33 CYS O O 4.988 -4.822 4.616 1.00 . A A . 33 CYS O 1 1 13 11413 1 1 33 CYS SG S 1.710 -4.600 2.499 1.00 . A A . 33 CYS SG 1 1 13 11414 1 1 34 VAL C C 5.989 -1.206 4.524 1.00 . A A . 34 VAL C 1 1 13 11415 1 1 34 VAL CA C 5.354 -2.323 3.625 1.00 . A A . 34 VAL CA 1 1 13 11416 1 1 34 VAL CB C 5.046 -1.803 2.218 1.00 . A A . 34 VAL CB 1 1 13 11417 1 1 34 VAL CG1 C 4.299 -0.489 2.230 1.00 . A A . 34 VAL CG1 1 1 13 11418 1 1 34 VAL CG2 C 6.267 -1.753 1.395 1.00 . A A . 34 VAL CG2 1 1 13 11419 1 1 34 VAL H H 3.436 -2.147 4.192 1.00 . A A . 34 VAL H 1 1 13 11420 1 1 34 VAL HA H 6.044 -3.147 3.539 1.00 . A A . 34 VAL HA 1 1 13 11421 1 1 34 VAL HB H 4.370 -2.516 1.769 1.00 . A A . 34 VAL HB 1 1 13 11422 1 1 34 VAL HG11 H 4.878 0.205 2.820 1.00 . A A . 34 VAL HG11 1 1 13 11423 1 1 34 VAL HG12 H 3.284 -0.561 2.603 1.00 . A A . 34 VAL HG12 1 1 13 11424 1 1 34 VAL HG13 H 4.286 -0.112 1.219 1.00 . A A . 34 VAL HG13 1 1 13 11425 1 1 34 VAL HG21 H 6.951 -1.127 1.944 1.00 . A A . 34 VAL HG21 1 1 13 11426 1 1 34 VAL HG22 H 6.023 -1.353 0.423 1.00 . A A . 34 VAL HG22 1 1 13 11427 1 1 34 VAL HG23 H 6.589 -2.784 1.363 1.00 . A A . 34 VAL HG23 1 1 13 11428 1 1 34 VAL N N 4.158 -2.799 4.181 1.00 . A A . 34 VAL N 1 1 13 11429 1 1 34 VAL O O 6.935 -0.519 4.127 1.00 . A A . 34 VAL O 1 1 13 11430 1 1 35 GLY C C 5.767 1.365 6.295 1.00 . A A . 35 GLY C 1 1 13 11431 1 1 35 GLY CA C 5.992 -0.105 6.690 1.00 . A A . 35 GLY CA 1 1 13 11432 1 1 35 GLY H H 4.849 -1.782 6.033 1.00 . A A . 35 GLY H 1 1 13 11433 1 1 35 GLY HA2 H 5.512 -0.265 7.645 1.00 . A A . 35 GLY HA2 1 1 13 11434 1 1 35 GLY HA3 H 7.048 -0.277 6.813 1.00 . A A . 35 GLY HA3 1 1 13 11435 1 1 35 GLY N N 5.493 -1.100 5.752 1.00 . A A . 35 GLY N 1 1 13 11436 1 1 35 GLY O O 6.695 2.177 6.362 1.00 . A A . 35 GLY O 1 1 13 11437 1 1 36 VAL C C 3.373 3.606 6.752 1.00 . A A . 36 VAL C 1 1 13 11438 1 1 36 VAL CA C 4.245 3.102 5.613 1.00 . A A . 36 VAL CA 1 1 13 11439 1 1 36 VAL CB C 3.378 3.309 4.316 1.00 . A A . 36 VAL CB 1 1 13 11440 1 1 36 VAL CG1 C 3.145 4.725 4.011 1.00 . A A . 36 VAL CG1 1 1 13 11441 1 1 36 VAL CG2 C 3.935 2.718 3.115 1.00 . A A . 36 VAL CG2 1 1 13 11442 1 1 36 VAL H H 3.875 1.027 5.748 1.00 . A A . 36 VAL H 1 1 13 11443 1 1 36 VAL HA H 5.151 3.681 5.538 1.00 . A A . 36 VAL HA 1 1 13 11444 1 1 36 VAL HB H 2.416 2.855 4.496 1.00 . A A . 36 VAL HB 1 1 13 11445 1 1 36 VAL HG11 H 2.347 4.665 3.287 1.00 . A A . 36 VAL HG11 1 1 13 11446 1 1 36 VAL HG12 H 4.027 5.119 3.520 1.00 . A A . 36 VAL HG12 1 1 13 11447 1 1 36 VAL HG13 H 2.834 5.284 4.880 1.00 . A A . 36 VAL HG13 1 1 13 11448 1 1 36 VAL HG21 H 3.446 3.269 2.318 1.00 . A A . 36 VAL HG21 1 1 13 11449 1 1 36 VAL HG22 H 3.717 1.665 3.070 1.00 . A A . 36 VAL HG22 1 1 13 11450 1 1 36 VAL HG23 H 4.998 2.919 3.120 1.00 . A A . 36 VAL HG23 1 1 13 11451 1 1 36 VAL N N 4.573 1.707 5.882 1.00 . A A . 36 VAL N 1 1 13 11452 1 1 36 VAL O O 2.638 2.822 7.377 1.00 . A A . 36 VAL O 1 1 13 11453 1 1 37 SER C C 1.691 6.403 6.984 1.00 . A A . 37 SER C 1 1 13 11454 1 1 37 SER CA C 2.535 5.496 7.889 1.00 . A A . 37 SER CA 1 1 13 11455 1 1 37 SER CB C 3.288 6.286 8.967 1.00 . A A . 37 SER CB 1 1 13 11456 1 1 37 SER H H 4.060 5.558 6.690 1.00 . A A . 37 SER H 1 1 13 11457 1 1 37 SER HA H 1.926 4.721 8.337 1.00 . A A . 37 SER HA 1 1 13 11458 1 1 37 SER HB2 H 2.583 6.860 9.550 1.00 . A A . 37 SER HB2 1 1 13 11459 1 1 37 SER HB3 H 3.809 5.595 9.615 1.00 . A A . 37 SER HB3 1 1 13 11460 1 1 37 SER HG H 4.634 7.669 9.120 1.00 . A A . 37 SER HG 1 1 13 11461 1 1 37 SER N N 3.449 4.873 7.030 1.00 . A A . 37 SER N 1 1 13 11462 1 1 37 SER O O 2.241 6.964 5.990 1.00 . A A . 37 SER O 1 1 13 11463 1 1 37 SER OG O 4.216 7.188 8.394 1.00 . A A . 37 SER OG 1 1 13 11464 1 1 38 PRO C C -0.002 8.680 5.986 1.00 . A A . 38 PRO C 1 1 13 11465 1 1 38 PRO CA C -0.557 7.319 6.400 1.00 . A A . 38 PRO CA 1 1 13 11466 1 1 38 PRO CB C -1.815 7.493 7.286 1.00 . A A . 38 PRO CB 1 1 13 11467 1 1 38 PRO CD C -0.331 5.978 8.411 1.00 . A A . 38 PRO CD 1 1 13 11468 1 1 38 PRO CG C -1.441 6.959 8.636 1.00 . A A . 38 PRO CG 1 1 13 11469 1 1 38 PRO HA H -0.820 6.758 5.514 1.00 . A A . 38 PRO HA 1 1 13 11470 1 1 38 PRO HB2 H -2.072 8.541 7.328 1.00 . A A . 38 PRO HB2 1 1 13 11471 1 1 38 PRO HB3 H -2.636 6.932 6.861 1.00 . A A . 38 PRO HB3 1 1 13 11472 1 1 38 PRO HD2 H 0.318 5.936 9.276 1.00 . A A . 38 PRO HD2 1 1 13 11473 1 1 38 PRO HD3 H -0.717 4.999 8.174 1.00 . A A . 38 PRO HD3 1 1 13 11474 1 1 38 PRO HG2 H -1.096 7.759 9.277 1.00 . A A . 38 PRO HG2 1 1 13 11475 1 1 38 PRO HG3 H -2.292 6.463 9.079 1.00 . A A . 38 PRO HG3 1 1 13 11476 1 1 38 PRO N N 0.372 6.550 7.257 1.00 . A A . 38 PRO N 1 1 13 11477 1 1 38 PRO O O -0.099 9.082 4.826 1.00 . A A . 38 PRO O 1 1 13 11478 1 1 39 GLU C C 2.246 10.651 5.632 1.00 . A A . 39 GLU C 1 1 13 11479 1 1 39 GLU CA C 1.198 10.656 6.723 1.00 . A A . 39 GLU CA 1 1 13 11480 1 1 39 GLU CB C 1.849 11.145 8.003 1.00 . A A . 39 GLU CB 1 1 13 11481 1 1 39 GLU CD C 1.619 11.712 10.412 1.00 . A A . 39 GLU CD 1 1 13 11482 1 1 39 GLU CG C 0.948 11.137 9.196 1.00 . A A . 39 GLU CG 1 1 13 11483 1 1 39 GLU H H 0.730 8.884 7.789 1.00 . A A . 39 GLU H 1 1 13 11484 1 1 39 GLU HA H 0.400 11.341 6.462 1.00 . A A . 39 GLU HA 1 1 13 11485 1 1 39 GLU HB2 H 2.686 10.491 8.215 1.00 . A A . 39 GLU HB2 1 1 13 11486 1 1 39 GLU HB3 H 2.221 12.148 7.845 1.00 . A A . 39 GLU HB3 1 1 13 11487 1 1 39 GLU HG2 H 0.082 11.707 8.921 1.00 . A A . 39 GLU HG2 1 1 13 11488 1 1 39 GLU HG3 H 0.649 10.121 9.391 1.00 . A A . 39 GLU HG3 1 1 13 11489 1 1 39 GLU N N 0.642 9.335 6.924 1.00 . A A . 39 GLU N 1 1 13 11490 1 1 39 GLU O O 2.258 11.510 4.778 1.00 . A A . 39 GLU O 1 1 13 11491 1 1 39 GLU OE1 O 2.352 10.987 11.073 1.00 . A A . 39 GLU OE1 1 1 13 11492 1 1 39 GLU OE2 O 1.410 12.909 10.708 1.00 . A A . 39 GLU OE2 1 1 13 11493 1 1 40 MET C C 3.809 9.364 3.291 1.00 . A A . 40 MET C 1 1 13 11494 1 1 40 MET CA C 4.219 9.604 4.729 1.00 . A A . 40 MET CA 1 1 13 11495 1 1 40 MET CB C 5.293 8.589 5.161 1.00 . A A . 40 MET CB 1 1 13 11496 1 1 40 MET CE C 7.971 10.368 5.158 1.00 . A A . 40 MET CE 1 1 13 11497 1 1 40 MET CG C 5.973 8.922 6.480 1.00 . A A . 40 MET CG 1 1 13 11498 1 1 40 MET H H 2.791 8.891 6.211 1.00 . A A . 40 MET H 1 1 13 11499 1 1 40 MET HA H 4.655 10.589 4.777 1.00 . A A . 40 MET HA 1 1 13 11500 1 1 40 MET HB2 H 4.824 7.623 5.261 1.00 . A A . 40 MET HB2 1 1 13 11501 1 1 40 MET HB3 H 6.046 8.537 4.388 1.00 . A A . 40 MET HB3 1 1 13 11502 1 1 40 MET HE1 H 7.454 10.196 4.225 1.00 . A A . 40 MET HE1 1 1 13 11503 1 1 40 MET HE2 H 8.645 9.548 5.363 1.00 . A A . 40 MET HE2 1 1 13 11504 1 1 40 MET HE3 H 8.538 11.284 5.073 1.00 . A A . 40 MET HE3 1 1 13 11505 1 1 40 MET HG2 H 5.230 8.892 7.264 1.00 . A A . 40 MET HG2 1 1 13 11506 1 1 40 MET HG3 H 6.721 8.169 6.682 1.00 . A A . 40 MET HG3 1 1 13 11507 1 1 40 MET N N 3.074 9.634 5.639 1.00 . A A . 40 MET N 1 1 13 11508 1 1 40 MET O O 4.199 10.116 2.411 1.00 . A A . 40 MET O 1 1 13 11509 1 1 40 MET SD S 6.769 10.545 6.486 1.00 . A A . 40 MET SD 1 1 13 11510 1 1 41 ALA C C 1.685 9.032 1.023 1.00 . A A . 41 ALA C 1 1 13 11511 1 1 41 ALA CA C 2.585 7.984 1.677 1.00 . A A . 41 ALA CA 1 1 13 11512 1 1 41 ALA CB C 1.860 6.681 1.669 1.00 . A A . 41 ALA CB 1 1 13 11513 1 1 41 ALA H H 2.633 7.800 3.803 1.00 . A A . 41 ALA H 1 1 13 11514 1 1 41 ALA HA H 3.484 7.869 1.087 1.00 . A A . 41 ALA HA 1 1 13 11515 1 1 41 ALA HB1 H 1.499 6.544 0.660 1.00 . A A . 41 ALA HB1 1 1 13 11516 1 1 41 ALA HB2 H 1.035 6.789 2.352 1.00 . A A . 41 ALA HB2 1 1 13 11517 1 1 41 ALA HB3 H 2.509 5.850 1.938 1.00 . A A . 41 ALA HB3 1 1 13 11518 1 1 41 ALA N N 2.982 8.345 3.058 1.00 . A A . 41 ALA N 1 1 13 11519 1 1 41 ALA O O 1.705 9.194 -0.190 1.00 . A A . 41 ALA O 1 1 13 11520 1 1 42 GLU C C 0.690 12.030 1.050 1.00 . A A . 42 GLU C 1 1 13 11521 1 1 42 GLU CA C -0.018 10.701 1.240 1.00 . A A . 42 GLU CA 1 1 13 11522 1 1 42 GLU CB C -1.247 10.898 2.144 1.00 . A A . 42 GLU CB 1 1 13 11523 1 1 42 GLU CD C -3.324 9.921 3.201 1.00 . A A . 42 GLU CD 1 1 13 11524 1 1 42 GLU CG C -2.151 9.676 2.272 1.00 . A A . 42 GLU CG 1 1 13 11525 1 1 42 GLU H H 0.890 9.625 2.785 1.00 . A A . 42 GLU H 1 1 13 11526 1 1 42 GLU HA H -0.349 10.333 0.281 1.00 . A A . 42 GLU HA 1 1 13 11527 1 1 42 GLU HB2 H -0.898 11.152 3.133 1.00 . A A . 42 GLU HB2 1 1 13 11528 1 1 42 GLU HB3 H -1.836 11.721 1.768 1.00 . A A . 42 GLU HB3 1 1 13 11529 1 1 42 GLU HG2 H -2.539 9.410 1.299 1.00 . A A . 42 GLU HG2 1 1 13 11530 1 1 42 GLU HG3 H -1.571 8.855 2.668 1.00 . A A . 42 GLU HG3 1 1 13 11531 1 1 42 GLU N N 0.885 9.720 1.807 1.00 . A A . 42 GLU N 1 1 13 11532 1 1 42 GLU O O 0.393 12.798 0.122 1.00 . A A . 42 GLU O 1 1 13 11533 1 1 42 GLU OE1 O -4.263 10.648 2.808 1.00 . A A . 42 GLU OE1 1 1 13 11534 1 1 42 GLU OE2 O -3.313 9.422 4.335 1.00 . A A . 42 GLU OE2 1 1 13 11535 1 1 43 ASN C C 3.377 13.739 0.872 1.00 . A A . 43 ASN C 1 1 13 11536 1 1 43 ASN CA C 2.292 13.613 1.921 1.00 . A A . 43 ASN CA 1 1 13 11537 1 1 43 ASN CB C 2.837 13.972 3.310 1.00 . A A . 43 ASN CB 1 1 13 11538 1 1 43 ASN CG C 3.303 15.426 3.430 1.00 . A A . 43 ASN CG 1 1 13 11539 1 1 43 ASN H H 1.812 11.522 2.514 1.00 . A A . 43 ASN H 1 1 13 11540 1 1 43 ASN HA H 1.523 14.327 1.666 1.00 . A A . 43 ASN HA 1 1 13 11541 1 1 43 ASN HB2 H 2.099 13.775 4.073 1.00 . A A . 43 ASN HB2 1 1 13 11542 1 1 43 ASN HB3 H 3.702 13.337 3.440 1.00 . A A . 43 ASN HB3 1 1 13 11543 1 1 43 ASN HD21 H 5.213 14.929 3.206 1.00 . A A . 43 ASN HD21 1 1 13 11544 1 1 43 ASN HD22 H 4.883 16.603 3.391 1.00 . A A . 43 ASN HD22 1 1 13 11545 1 1 43 ASN N N 1.639 12.286 1.910 1.00 . A A . 43 ASN N 1 1 13 11546 1 1 43 ASN ND2 N 4.583 15.671 3.338 1.00 . A A . 43 ASN ND2 1 1 13 11547 1 1 43 ASN O O 3.447 14.745 0.163 1.00 . A A . 43 ASN O 1 1 13 11548 1 1 43 ASN OD1 O 2.499 16.312 3.696 1.00 . A A . 43 ASN OD1 1 1 13 11549 1 1 44 GLU C C 5.527 11.437 -0.838 1.00 . A A . 44 GLU C 1 1 13 11550 1 1 44 GLU CA C 5.327 12.771 -0.166 1.00 . A A . 44 GLU CA 1 1 13 11551 1 1 44 GLU CB C 6.613 13.273 0.528 1.00 . A A . 44 GLU CB 1 1 13 11552 1 1 44 GLU CD C 7.670 15.290 1.693 1.00 . A A . 44 GLU CD 1 1 13 11553 1 1 44 GLU CG C 6.483 14.721 0.965 1.00 . A A . 44 GLU CG 1 1 13 11554 1 1 44 GLU H H 3.971 11.913 1.241 1.00 . A A . 44 GLU H 1 1 13 11555 1 1 44 GLU HA H 5.032 13.497 -0.909 1.00 . A A . 44 GLU HA 1 1 13 11556 1 1 44 GLU HB2 H 6.810 12.656 1.391 1.00 . A A . 44 GLU HB2 1 1 13 11557 1 1 44 GLU HB3 H 7.441 13.196 -0.163 1.00 . A A . 44 GLU HB3 1 1 13 11558 1 1 44 GLU HG2 H 6.317 15.305 0.073 1.00 . A A . 44 GLU HG2 1 1 13 11559 1 1 44 GLU HG3 H 5.608 14.803 1.595 1.00 . A A . 44 GLU HG3 1 1 13 11560 1 1 44 GLU N N 4.195 12.730 0.750 1.00 . A A . 44 GLU N 1 1 13 11561 1 1 44 GLU O O 4.888 10.461 -0.453 1.00 . A A . 44 GLU O 1 1 13 11562 1 1 44 GLU OE1 O 7.768 15.096 2.920 1.00 . A A . 44 GLU OE1 1 1 13 11563 1 1 44 GLU OE2 O 8.480 15.994 1.054 1.00 . A A . 44 GLU OE2 1 1 13 11564 1 1 45 ASP C C 7.136 9.060 -1.779 1.00 . A A . 45 ASP C 1 1 13 11565 1 1 45 ASP CA C 6.679 10.209 -2.660 1.00 . A A . 45 ASP CA 1 1 13 11566 1 1 45 ASP CB C 7.786 10.496 -3.700 1.00 . A A . 45 ASP CB 1 1 13 11567 1 1 45 ASP CG C 7.517 11.711 -4.576 1.00 . A A . 45 ASP CG 1 1 13 11568 1 1 45 ASP H H 6.926 12.198 -2.101 1.00 . A A . 45 ASP H 1 1 13 11569 1 1 45 ASP HA H 5.776 9.928 -3.179 1.00 . A A . 45 ASP HA 1 1 13 11570 1 1 45 ASP HB2 H 8.731 10.640 -3.190 1.00 . A A . 45 ASP HB2 1 1 13 11571 1 1 45 ASP HB3 H 7.877 9.628 -4.336 1.00 . A A . 45 ASP HB3 1 1 13 11572 1 1 45 ASP N N 6.410 11.408 -1.848 1.00 . A A . 45 ASP N 1 1 13 11573 1 1 45 ASP O O 7.864 9.267 -0.792 1.00 . A A . 45 ASP O 1 1 13 11574 1 1 45 ASP OD1 O 6.790 11.604 -5.595 1.00 . A A . 45 ASP OD1 1 1 13 11575 1 1 45 ASP OD2 O 8.051 12.810 -4.259 1.00 . A A . 45 ASP OD2 1 1 13 11576 1 1 46 TYR C C 7.781 5.634 -2.080 1.00 . A A . 46 TYR C 1 1 13 11577 1 1 46 TYR CA C 7.118 6.753 -1.304 1.00 . A A . 46 TYR CA 1 1 13 11578 1 1 46 TYR CB C 5.976 6.264 -0.385 1.00 . A A . 46 TYR CB 1 1 13 11579 1 1 46 TYR CD1 C 7.223 5.436 1.667 1.00 . A A . 46 TYR CD1 1 1 13 11580 1 1 46 TYR CD2 C 6.140 3.855 0.277 1.00 . A A . 46 TYR CD2 1 1 13 11581 1 1 46 TYR CE1 C 7.685 4.414 2.483 1.00 . A A . 46 TYR CE1 1 1 13 11582 1 1 46 TYR CE2 C 6.596 2.826 1.070 1.00 . A A . 46 TYR CE2 1 1 13 11583 1 1 46 TYR CG C 6.437 5.160 0.548 1.00 . A A . 46 TYR CG 1 1 13 11584 1 1 46 TYR CZ C 7.368 3.111 2.177 1.00 . A A . 46 TYR CZ 1 1 13 11585 1 1 46 TYR H H 6.304 7.729 -2.990 1.00 . A A . 46 TYR H 1 1 13 11586 1 1 46 TYR HA H 7.908 7.119 -0.668 1.00 . A A . 46 TYR HA 1 1 13 11587 1 1 46 TYR HB2 H 5.619 7.088 0.220 1.00 . A A . 46 TYR HB2 1 1 13 11588 1 1 46 TYR HB3 H 5.164 5.886 -0.989 1.00 . A A . 46 TYR HB3 1 1 13 11589 1 1 46 TYR HD1 H 7.464 6.462 1.901 1.00 . A A . 46 TYR HD1 1 1 13 11590 1 1 46 TYR HD2 H 5.522 3.694 -0.585 1.00 . A A . 46 TYR HD2 1 1 13 11591 1 1 46 TYR HE1 H 8.287 4.640 3.351 1.00 . A A . 46 TYR HE1 1 1 13 11592 1 1 46 TYR HE2 H 6.338 1.805 0.826 1.00 . A A . 46 TYR HE2 1 1 13 11593 1 1 46 TYR HH H 7.590 2.215 3.890 1.00 . A A . 46 TYR HH 1 1 13 11594 1 1 46 TYR N N 6.769 7.860 -2.128 1.00 . A A . 46 TYR N 1 1 13 11595 1 1 46 TYR O O 7.305 5.154 -3.099 1.00 . A A . 46 TYR O 1 1 13 11596 1 1 46 TYR OH O 7.828 2.088 2.965 1.00 . A A . 46 TYR OH 1 1 13 11597 1 1 47 ILE C C 9.939 3.097 -1.260 1.00 . A A . 47 ILE C 1 1 13 11598 1 1 47 ILE CA C 9.725 4.280 -2.163 1.00 . A A . 47 ILE CA 1 1 13 11599 1 1 47 ILE CB C 11.015 4.953 -2.575 1.00 . A A . 47 ILE CB 1 1 13 11600 1 1 47 ILE CD1 C 11.673 6.896 -4.007 1.00 . A A . 47 ILE CD1 1 1 13 11601 1 1 47 ILE CG1 C 10.622 5.988 -3.607 1.00 . A A . 47 ILE CG1 1 1 13 11602 1 1 47 ILE CG2 C 12.014 3.947 -3.141 1.00 . A A . 47 ILE CG2 1 1 13 11603 1 1 47 ILE H H 8.948 5.709 -0.706 1.00 . A A . 47 ILE H 1 1 13 11604 1 1 47 ILE HA H 9.230 3.964 -3.071 1.00 . A A . 47 ILE HA 1 1 13 11605 1 1 47 ILE HB H 11.445 5.475 -1.732 1.00 . A A . 47 ILE HB 1 1 13 11606 1 1 47 ILE HD11 H 12.475 6.322 -4.439 1.00 . A A . 47 ILE HD11 1 1 13 11607 1 1 47 ILE HD12 H 11.963 7.408 -3.105 1.00 . A A . 47 ILE HD12 1 1 13 11608 1 1 47 ILE HD13 H 11.181 7.542 -4.718 1.00 . A A . 47 ILE HD13 1 1 13 11609 1 1 47 ILE HG12 H 10.294 5.479 -4.502 1.00 . A A . 47 ILE HG12 1 1 13 11610 1 1 47 ILE HG13 H 9.801 6.566 -3.208 1.00 . A A . 47 ILE HG13 1 1 13 11611 1 1 47 ILE HG21 H 12.913 4.459 -3.454 1.00 . A A . 47 ILE HG21 1 1 13 11612 1 1 47 ILE HG22 H 11.564 3.417 -3.967 1.00 . A A . 47 ILE HG22 1 1 13 11613 1 1 47 ILE HG23 H 12.254 3.228 -2.371 1.00 . A A . 47 ILE HG23 1 1 13 11614 1 1 47 ILE N N 8.885 5.238 -1.561 1.00 . A A . 47 ILE N 1 1 13 11615 1 1 47 ILE O O 10.431 3.238 -0.140 1.00 . A A . 47 ILE O 1 1 13 11616 1 1 48 CYS C C 11.089 0.354 -0.739 1.00 . A A . 48 CYS C 1 1 13 11617 1 1 48 CYS CA C 9.612 0.702 -0.981 1.00 . A A . 48 CYS CA 1 1 13 11618 1 1 48 CYS CB C 8.929 -0.465 -1.729 1.00 . A A . 48 CYS CB 1 1 13 11619 1 1 48 CYS H H 9.128 1.933 -2.638 1.00 . A A . 48 CYS H 1 1 13 11620 1 1 48 CYS HA H 9.118 0.854 -0.032 1.00 . A A . 48 CYS HA 1 1 13 11621 1 1 48 CYS HB2 H 8.738 -1.244 -1.004 1.00 . A A . 48 CYS HB2 1 1 13 11622 1 1 48 CYS HB3 H 7.979 -0.141 -2.130 1.00 . A A . 48 CYS HB3 1 1 13 11623 1 1 48 CYS N N 9.523 1.930 -1.743 1.00 . A A . 48 CYS N 1 1 13 11624 1 1 48 CYS O O 11.979 0.857 -1.447 1.00 . A A . 48 CYS O 1 1 13 11625 1 1 48 CYS SG S 9.927 -1.203 -3.069 1.00 . A A . 48 CYS SG 1 1 13 11626 1 1 49 ILE C C 13.450 -1.624 -0.508 1.00 . A A . 49 ILE C 1 1 13 11627 1 1 49 ILE CA C 12.693 -0.912 0.582 1.00 . A A . 49 ILE CA 1 1 13 11628 1 1 49 ILE CB C 12.681 -1.672 1.888 1.00 . A A . 49 ILE CB 1 1 13 11629 1 1 49 ILE CD1 C 12.489 -4.141 1.157 1.00 . A A . 49 ILE CD1 1 1 13 11630 1 1 49 ILE CG1 C 11.865 -2.937 1.852 1.00 . A A . 49 ILE CG1 1 1 13 11631 1 1 49 ILE CG2 C 12.114 -0.771 2.922 1.00 . A A . 49 ILE CG2 1 1 13 11632 1 1 49 ILE H H 10.630 -1.001 0.689 1.00 . A A . 49 ILE H 1 1 13 11633 1 1 49 ILE HA H 13.184 0.020 0.787 1.00 . A A . 49 ILE HA 1 1 13 11634 1 1 49 ILE HB H 13.700 -1.907 2.143 1.00 . A A . 49 ILE HB 1 1 13 11635 1 1 49 ILE HD11 H 11.799 -4.973 1.200 1.00 . A A . 49 ILE HD11 1 1 13 11636 1 1 49 ILE HD12 H 13.414 -4.408 1.646 1.00 . A A . 49 ILE HD12 1 1 13 11637 1 1 49 ILE HD13 H 12.693 -3.887 0.127 1.00 . A A . 49 ILE HD13 1 1 13 11638 1 1 49 ILE HG12 H 11.836 -3.079 2.911 1.00 . A A . 49 ILE HG12 1 1 13 11639 1 1 49 ILE HG13 H 10.870 -2.718 1.480 1.00 . A A . 49 ILE HG13 1 1 13 11640 1 1 49 ILE HG21 H 12.026 -1.281 3.868 1.00 . A A . 49 ILE HG21 1 1 13 11641 1 1 49 ILE HG22 H 11.150 -0.528 2.497 1.00 . A A . 49 ILE HG22 1 1 13 11642 1 1 49 ILE HG23 H 12.727 0.115 2.980 1.00 . A A . 49 ILE HG23 1 1 13 11643 1 1 49 ILE N N 11.346 -0.543 0.203 1.00 . A A . 49 ILE N 1 1 13 11644 1 1 49 ILE O O 14.658 -1.668 -0.515 1.00 . A A . 49 ILE O 1 1 13 11645 1 1 50 ASN C C 13.869 -1.924 -3.602 1.00 . A A . 50 ASN C 1 1 13 11646 1 1 50 ASN CA C 13.253 -2.872 -2.578 1.00 . A A . 50 ASN CA 1 1 13 11647 1 1 50 ASN CB C 12.171 -3.724 -3.250 1.00 . A A . 50 ASN CB 1 1 13 11648 1 1 50 ASN CG C 11.601 -4.788 -2.347 1.00 . A A . 50 ASN CG 1 1 13 11649 1 1 50 ASN H H 11.754 -1.960 -1.259 1.00 . A A . 50 ASN H 1 1 13 11650 1 1 50 ASN HA H 14.026 -3.525 -2.199 1.00 . A A . 50 ASN HA 1 1 13 11651 1 1 50 ASN HB2 H 11.364 -3.082 -3.566 1.00 . A A . 50 ASN HB2 1 1 13 11652 1 1 50 ASN HB3 H 12.601 -4.193 -4.118 1.00 . A A . 50 ASN HB3 1 1 13 11653 1 1 50 ASN HD21 H 12.940 -6.095 -2.974 1.00 . A A . 50 ASN HD21 1 1 13 11654 1 1 50 ASN HD22 H 11.825 -6.661 -1.792 1.00 . A A . 50 ASN HD22 1 1 13 11655 1 1 50 ASN N N 12.706 -2.133 -1.431 1.00 . A A . 50 ASN N 1 1 13 11656 1 1 50 ASN ND2 N 12.176 -5.959 -2.379 1.00 . A A . 50 ASN ND2 1 1 13 11657 1 1 50 ASN O O 14.869 -2.239 -4.239 1.00 . A A . 50 ASN O 1 1 13 11658 1 1 50 ASN OD1 O 10.631 -4.556 -1.632 1.00 . A A . 50 ASN OD1 1 1 13 11659 1 1 51 CYS C C 14.767 1.199 -3.992 1.00 . A A . 51 CYS C 1 1 13 11660 1 1 51 CYS CA C 13.790 0.246 -4.688 1.00 . A A . 51 CYS CA 1 1 13 11661 1 1 51 CYS CB C 12.624 1.022 -5.329 1.00 . A A . 51 CYS CB 1 1 13 11662 1 1 51 CYS H H 12.495 -0.557 -3.186 1.00 . A A . 51 CYS H 1 1 13 11663 1 1 51 CYS HA H 14.322 -0.294 -5.455 1.00 . A A . 51 CYS HA 1 1 13 11664 1 1 51 CYS HB2 H 12.034 1.479 -4.550 1.00 . A A . 51 CYS HB2 1 1 13 11665 1 1 51 CYS HB3 H 12.951 1.798 -6.010 1.00 . A A . 51 CYS HB3 1 1 13 11666 1 1 51 CYS N N 13.281 -0.748 -3.740 1.00 . A A . 51 CYS N 1 1 13 11667 1 1 51 CYS O O 15.434 2.006 -4.631 1.00 . A A . 51 CYS O 1 1 13 11668 1 1 51 CYS SG S 11.479 -0.006 -6.267 1.00 . A A . 51 CYS SG 1 1 13 11669 1 1 52 ALA C C 17.208 1.670 -2.163 1.00 . A A . 52 ALA C 1 1 13 11670 1 1 52 ALA CA C 15.720 1.935 -1.875 1.00 . A A . 52 ALA CA 1 1 13 11671 1 1 52 ALA CB C 15.421 1.755 -0.394 1.00 . A A . 52 ALA CB 1 1 13 11672 1 1 52 ALA H H 14.310 0.363 -2.283 1.00 . A A . 52 ALA H 1 1 13 11673 1 1 52 ALA HA H 15.494 2.956 -2.147 1.00 . A A . 52 ALA HA 1 1 13 11674 1 1 52 ALA HB1 H 14.373 1.939 -0.206 1.00 . A A . 52 ALA HB1 1 1 13 11675 1 1 52 ALA HB2 H 16.020 2.448 0.178 1.00 . A A . 52 ALA HB2 1 1 13 11676 1 1 52 ALA HB3 H 15.665 0.745 -0.102 1.00 . A A . 52 ALA HB3 1 1 13 11677 1 1 52 ALA N N 14.851 1.078 -2.680 1.00 . A A . 52 ALA N 1 1 13 11678 2 2 1 ALA C C 1.528 8.597 -3.888 1.00 . B B . 301 ALA C 1 1 13 11679 2 2 1 ALA CA C 3.008 8.606 -3.583 1.00 . B B . 301 ALA CA 1 1 13 11680 2 2 1 ALA CB C 3.338 7.444 -2.662 1.00 . B B . 301 ALA CB 1 1 13 11681 2 2 1 ALA HA H 3.555 8.471 -4.503 1.00 . B B . 301 ALA HA 1 1 13 11682 2 2 1 ALA HB1 H 2.788 7.535 -1.735 1.00 . B B . 301 ALA HB1 1 1 13 11683 2 2 1 ALA HB2 H 4.399 7.430 -2.464 1.00 . B B . 301 ALA HB2 1 1 13 11684 2 2 1 ALA HB3 H 3.053 6.528 -3.165 1.00 . B B . 301 ALA HB3 1 1 13 11685 2 2 1 ALA N N 3.411 9.900 -2.974 1.00 . B B . 301 ALA N 1 1 13 11686 2 2 1 ALA O O 0.803 9.554 -3.580 1.00 . B B . 301 ALA O 1 1 13 11687 2 2 2 ARG C C -0.918 6.389 -3.830 1.00 . B B . 302 ARG C 1 1 13 11688 2 2 2 ARG CA C -0.313 7.379 -4.785 1.00 . B B . 302 ARG CA 1 1 13 11689 2 2 2 ARG CB C -0.536 6.981 -6.241 1.00 . B B . 302 ARG CB 1 1 13 11690 2 2 2 ARG CD C -0.313 7.662 -8.649 1.00 . B B . 302 ARG CD 1 1 13 11691 2 2 2 ARG CG C -0.078 8.054 -7.209 1.00 . B B . 302 ARG CG 1 1 13 11692 2 2 2 ARG CZ C -0.140 8.743 -10.888 1.00 . B B . 302 ARG CZ 1 1 13 11693 2 2 2 ARG H H 1.708 6.822 -4.740 1.00 . B B . 302 ARG H 1 1 13 11694 2 2 2 ARG HA H -0.777 8.340 -4.607 1.00 . B B . 302 ARG HA 1 1 13 11695 2 2 2 ARG HB2 H 0.015 6.072 -6.444 1.00 . B B . 302 ARG HB2 1 1 13 11696 2 2 2 ARG HB3 H -1.588 6.802 -6.412 1.00 . B B . 302 ARG HB3 1 1 13 11697 2 2 2 ARG HD2 H 0.271 6.783 -8.873 1.00 . B B . 302 ARG HD2 1 1 13 11698 2 2 2 ARG HD3 H -1.360 7.439 -8.789 1.00 . B B . 302 ARG HD3 1 1 13 11699 2 2 2 ARG HE H 0.494 9.517 -9.118 1.00 . B B . 302 ARG HE 1 1 13 11700 2 2 2 ARG HG2 H -0.631 8.962 -7.015 1.00 . B B . 302 ARG HG2 1 1 13 11701 2 2 2 ARG HG3 H 0.975 8.233 -7.056 1.00 . B B . 302 ARG HG3 1 1 13 11702 2 2 2 ARG HH11 H -0.935 6.848 -10.982 1.00 . B B . 302 ARG HH11 1 1 13 11703 2 2 2 ARG HH12 H -0.882 7.649 -12.476 1.00 . B B . 302 ARG HH12 1 1 13 11704 2 2 2 ARG HH21 H 0.600 10.627 -11.193 1.00 . B B . 302 ARG HH21 1 1 13 11705 2 2 2 ARG HH22 H 0.038 9.840 -12.597 1.00 . B B . 302 ARG HH22 1 1 13 11706 2 2 2 ARG N N 1.076 7.532 -4.495 1.00 . B B . 302 ARG N 1 1 13 11707 2 2 2 ARG NE N 0.070 8.744 -9.563 1.00 . B B . 302 ARG NE 1 1 13 11708 2 2 2 ARG NH1 N -0.684 7.678 -11.490 1.00 . B B . 302 ARG NH1 1 1 13 11709 2 2 2 ARG NH2 N 0.188 9.808 -11.602 1.00 . B B . 302 ARG NH2 1 1 13 11710 2 2 2 ARG O O -0.350 5.317 -3.582 1.00 . B B . 302 ARG O 1 1 13 11711 2 2 3 THR C C -4.135 5.658 -2.729 1.00 . B B . 303 THR C 1 1 13 11712 2 2 3 THR CA C -2.707 5.932 -2.313 1.00 . B B . 303 THR CA 1 1 13 11713 2 2 3 THR CB C -2.685 6.615 -0.936 1.00 . B B . 303 THR CB 1 1 13 11714 2 2 3 THR CG2 C -1.300 6.556 -0.338 1.00 . B B . 303 THR CG2 1 1 13 11715 2 2 3 THR H H -2.472 7.590 -3.522 1.00 . B B . 303 THR H 1 1 13 11716 2 2 3 THR HA H -2.159 5.000 -2.228 1.00 . B B . 303 THR HA 1 1 13 11717 2 2 3 THR HB H -3.372 6.090 -0.286 1.00 . B B . 303 THR HB 1 1 13 11718 2 2 3 THR HG1 H -3.124 8.368 -0.165 1.00 . B B . 303 THR HG1 1 1 13 11719 2 2 3 THR HG21 H -0.599 7.053 -0.991 1.00 . B B . 303 THR HG21 1 1 13 11720 2 2 3 THR HG22 H -1.025 5.514 -0.247 1.00 . B B . 303 THR HG22 1 1 13 11721 2 2 3 THR HG23 H -1.296 7.032 0.632 1.00 . B B . 303 THR HG23 1 1 13 11722 2 2 3 THR N N -2.039 6.743 -3.280 1.00 . B B . 303 THR N 1 1 13 11723 2 2 3 THR O O -4.696 6.359 -3.585 1.00 . B B . 303 THR O 1 1 13 11724 2 2 3 THR OG1 O -3.113 7.988 -1.049 1.00 . B B . 303 THR OG1 1 1 13 11725 2 2 4 . C C -6.568 3.344 -1.334 1.00 . B B . 304 M3L C 1 1 13 11726 2 2 4 . CA C -6.078 4.252 -2.429 1.00 . B B . 304 M3L CA 1 1 13 11727 2 2 4 . CB C -6.122 3.492 -3.772 1.00 . B B . 304 M3L CB 1 1 13 11728 2 2 4 . CD C -5.041 1.620 -5.081 1.00 . B B . 304 M3L CD 1 1 13 11729 2 2 4 . CE C -6.230 0.848 -5.568 1.00 . B B . 304 M3L CE 1 1 13 11730 2 2 4 . CG C -5.215 2.314 -3.758 1.00 . B B . 304 M3L CG 1 1 13 11731 2 2 4 . CM1 C -4.730 -0.804 -6.726 1.00 . B B . 304 M3L CM1 1 1 13 11732 2 2 4 . CM2 C -5.652 1.106 -7.971 1.00 . B B . 304 M3L CM2 1 1 13 11733 2 2 4 . CM3 C -7.046 -0.764 -7.243 1.00 . B B . 304 M3L CM3 1 1 13 11734 2 2 4 . H H -4.199 4.129 -1.470 1.00 . B B . 304 M3L H 1 1 13 11735 2 2 4 . HA H -6.693 5.134 -2.504 1.00 . B B . 304 M3L HA 1 1 13 11736 2 2 4 . HB2 H -5.824 4.140 -4.582 1.00 . B B . 304 M3L HB2 1 1 13 11737 2 2 4 . HB3 H -7.118 3.115 -3.933 1.00 . B B . 304 M3L HB3 1 1 13 11738 2 2 4 . HD2 H -4.189 0.963 -4.986 1.00 . B B . 304 M3L HD2 1 1 13 11739 2 2 4 . HD3 H -4.816 2.395 -5.793 1.00 . B B . 304 M3L HD3 1 1 13 11740 2 2 4 . HE2 H -7.032 1.553 -5.743 1.00 . B B . 304 M3L HE2 1 1 13 11741 2 2 4 . HE3 H -6.517 0.175 -4.774 1.00 . B B . 304 M3L HE3 1 1 13 11742 2 2 4 . HG2 H -5.607 1.624 -3.026 1.00 . B B . 304 M3L HG2 1 1 13 11743 2 2 4 . HG3 H -4.245 2.683 -3.458 1.00 . B B . 304 M3L HG3 1 1 13 11744 2 2 4 . HM11 H -3.834 -0.250 -6.476 1.00 . B B . 304 M3L HM11 1 1 13 11745 2 2 4 . HM12 H -4.461 -1.306 -7.644 1.00 . B B . 304 M3L HM12 1 1 13 11746 2 2 4 . HM13 H -4.835 -1.580 -5.976 1.00 . B B . 304 M3L HM13 1 1 13 11747 2 2 4 . HM21 H -4.762 1.688 -7.778 1.00 . B B . 304 M3L HM21 1 1 13 11748 2 2 4 . HM22 H -6.446 1.827 -8.098 1.00 . B B . 304 M3L HM22 1 1 13 11749 2 2 4 . HM23 H -5.505 0.635 -8.932 1.00 . B B . 304 M3L HM23 1 1 13 11750 2 2 4 . HM31 H -7.885 -0.647 -6.576 1.00 . B B . 304 M3L HM31 1 1 13 11751 2 2 4 . HM32 H -6.791 -1.814 -7.221 1.00 . B B . 304 M3L HM32 1 1 13 11752 2 2 4 . HM33 H -7.420 -0.564 -8.235 1.00 . B B . 304 M3L HM33 1 1 13 11753 2 2 4 . N N -4.712 4.645 -2.138 1.00 . B B . 304 M3L N 1 1 13 11754 2 2 4 . NZ N -5.918 0.097 -6.877 1.00 . B B . 304 M3L NZ 1 1 13 11755 2 2 4 . O O -5.782 2.906 -0.488 1.00 . B B . 304 M3L O 1 1 13 11756 2 2 5 GLN C C -9.456 1.387 -1.245 1.00 . B B . 305 GLN C 1 1 13 11757 2 2 5 GLN CA C -8.457 2.141 -0.450 1.00 . B B . 305 GLN CA 1 1 13 11758 2 2 5 GLN CB C -9.199 2.842 0.705 1.00 . B B . 305 GLN CB 1 1 13 11759 2 2 5 GLN CD C -9.171 4.407 2.676 1.00 . B B . 305 GLN CD 1 1 13 11760 2 2 5 GLN CG C -8.366 3.784 1.543 1.00 . B B . 305 GLN CG 1 1 13 11761 2 2 5 GLN H H -8.402 3.461 -2.057 1.00 . B B . 305 GLN H 1 1 13 11762 2 2 5 GLN HA H -7.700 1.478 -0.059 1.00 . B B . 305 GLN HA 1 1 13 11763 2 2 5 GLN HB2 H -10.022 3.407 0.294 1.00 . B B . 305 GLN HB2 1 1 13 11764 2 2 5 GLN HB3 H -9.613 2.090 1.359 1.00 . B B . 305 GLN HB3 1 1 13 11765 2 2 5 GLN HE21 H -8.478 3.063 3.922 1.00 . B B . 305 GLN HE21 1 1 13 11766 2 2 5 GLN HE22 H -9.577 4.196 4.599 1.00 . B B . 305 GLN HE22 1 1 13 11767 2 2 5 GLN HG2 H -7.537 3.237 1.964 1.00 . B B . 305 GLN HG2 1 1 13 11768 2 2 5 GLN HG3 H -8.006 4.555 0.891 1.00 . B B . 305 GLN HG3 1 1 13 11769 2 2 5 GLN N N -7.836 3.059 -1.364 1.00 . B B . 305 GLN N 1 1 13 11770 2 2 5 GLN NE2 N -9.072 3.841 3.841 1.00 . B B . 305 GLN NE2 1 1 13 11771 2 2 5 GLN O O -10.389 1.981 -1.778 1.00 . B B . 305 GLN O 1 1 13 11772 2 2 5 GLN OE1 O -9.826 5.444 2.504 1.00 . B B . 305 GLN OE1 1 1 13 11773 2 2 6 THR C C -11.388 -0.987 -1.163 1.00 . B B . 306 THR C 1 1 13 11774 2 2 6 THR CA C -10.238 -0.652 -2.103 1.00 . B B . 306 THR CA 1 1 13 11775 2 2 6 THR CB C -9.626 -1.931 -2.732 1.00 . B B . 306 THR CB 1 1 13 11776 2 2 6 THR CG2 C -8.574 -1.572 -3.795 1.00 . B B . 306 THR CG2 1 1 13 11777 2 2 6 THR H H -8.489 -0.311 -0.989 1.00 . B B . 306 THR H 1 1 13 11778 2 2 6 THR HA H -10.619 -0.014 -2.888 1.00 . B B . 306 THR HA 1 1 13 11779 2 2 6 THR HB H -10.411 -2.516 -3.191 1.00 . B B . 306 THR HB 1 1 13 11780 2 2 6 THR HG1 H -9.709 -2.910 -1.076 1.00 . B B . 306 THR HG1 1 1 13 11781 2 2 6 THR HG21 H -8.176 -2.475 -4.240 1.00 . B B . 306 THR HG21 1 1 13 11782 2 2 6 THR HG22 H -7.751 -1.030 -3.339 1.00 . B B . 306 THR HG22 1 1 13 11783 2 2 6 THR HG23 H -9.009 -0.948 -4.562 1.00 . B B . 306 THR HG23 1 1 13 11784 2 2 6 THR N N -9.273 0.118 -1.388 1.00 . B B . 306 THR N 1 1 13 11785 2 2 6 THR O O -11.414 -2.049 -0.533 1.00 . B B . 306 THR O 1 1 13 11786 2 2 6 THR OG1 O -9.002 -2.705 -1.705 1.00 . B B . 306 THR OG1 1 1 13 11787 2 2 7 ALA C C -14.418 -1.046 -0.714 1.00 . B B . 307 ALA C 1 1 13 11788 2 2 7 ALA CA C -13.383 -0.154 -0.105 1.00 . B B . 307 ALA CA 1 1 13 11789 2 2 7 ALA CB C -13.965 1.203 0.266 1.00 . B B . 307 ALA CB 1 1 13 11790 2 2 7 ALA H H -12.142 0.810 -1.506 1.00 . B B . 307 ALA H 1 1 13 11791 2 2 7 ALA HA H -13.018 -0.624 0.796 1.00 . B B . 307 ALA HA 1 1 13 11792 2 2 7 ALA HB1 H -13.192 1.824 0.690 1.00 . B B . 307 ALA HB1 1 1 13 11793 2 2 7 ALA HB2 H -14.752 1.080 0.996 1.00 . B B . 307 ALA HB2 1 1 13 11794 2 2 7 ALA HB3 H -14.364 1.681 -0.615 1.00 . B B . 307 ALA HB3 1 1 13 11795 2 2 7 ALA N N -12.269 -0.019 -0.993 1.00 . B B . 307 ALA N 1 1 13 11796 2 2 7 ALA O O -15.013 -0.723 -1.761 1.00 . B B . 307 ALA O 1 1 13 11797 2 2 8 ARG C C -15.984 -3.985 0.591 1.00 . B B . 308 ARG C 1 1 13 11798 2 2 8 ARG CA C -15.535 -3.141 -0.564 1.00 . B B . 308 ARG CA 1 1 13 11799 2 2 8 ARG CB C -14.908 -3.970 -1.688 1.00 . B B . 308 ARG CB 1 1 13 11800 2 2 8 ARG CD C -13.048 -5.315 -2.589 1.00 . B B . 308 ARG CD 1 1 13 11801 2 2 8 ARG CG C -13.614 -4.693 -1.337 1.00 . B B . 308 ARG CG 1 1 13 11802 2 2 8 ARG CZ C -10.890 -6.275 -3.310 1.00 . B B . 308 ARG CZ 1 1 13 11803 2 2 8 ARG H H -14.106 -2.370 0.721 1.00 . B B . 308 ARG H 1 1 13 11804 2 2 8 ARG HA H -16.388 -2.612 -0.958 1.00 . B B . 308 ARG HA 1 1 13 11805 2 2 8 ARG HB2 H -15.627 -4.718 -1.986 1.00 . B B . 308 ARG HB2 1 1 13 11806 2 2 8 ARG HB3 H -14.720 -3.313 -2.527 1.00 . B B . 308 ARG HB3 1 1 13 11807 2 2 8 ARG HD2 H -13.794 -5.971 -3.011 1.00 . B B . 308 ARG HD2 1 1 13 11808 2 2 8 ARG HD3 H -12.845 -4.524 -3.296 1.00 . B B . 308 ARG HD3 1 1 13 11809 2 2 8 ARG HE H -11.746 -6.485 -1.479 1.00 . B B . 308 ARG HE 1 1 13 11810 2 2 8 ARG HG2 H -12.889 -4.004 -0.923 1.00 . B B . 308 ARG HG2 1 1 13 11811 2 2 8 ARG HG3 H -13.828 -5.477 -0.625 1.00 . B B . 308 ARG HG3 1 1 13 11812 2 2 8 ARG HH11 H -11.664 -4.928 -4.656 1.00 . B B . 308 ARG HH11 1 1 13 11813 2 2 8 ARG HH12 H -10.262 -5.737 -5.183 1.00 . B B . 308 ARG HH12 1 1 13 11814 2 2 8 ARG HH21 H -9.781 -7.605 -2.225 1.00 . B B . 308 ARG HH21 1 1 13 11815 2 2 8 ARG HH22 H -9.195 -7.290 -3.798 1.00 . B B . 308 ARG HH22 1 1 13 11816 2 2 8 ARG N N -14.607 -2.168 -0.103 1.00 . B B . 308 ARG N 1 1 13 11817 2 2 8 ARG NE N -11.817 -6.071 -2.365 1.00 . B B . 308 ARG NE 1 1 13 11818 2 2 8 ARG NH1 N -10.941 -5.598 -4.457 1.00 . B B . 308 ARG NH1 1 1 13 11819 2 2 8 ARG NH2 N -9.881 -7.109 -3.087 1.00 . B B . 308 ARG NH2 1 1 13 11820 2 2 8 ARG O O -15.309 -4.034 1.599 1.00 . B B . 308 ARG O 1 1 13 11821 2 2 9 LYS C C -17.884 -4.608 2.845 1.00 . B B . 309 LYS C 1 1 13 11822 2 2 9 LYS CA C -17.720 -5.442 1.558 1.00 . B B . 309 LYS CA 1 1 13 11823 2 2 9 LYS CB C -16.883 -6.683 1.839 1.00 . B B . 309 LYS CB 1 1 13 11824 2 2 9 LYS CD C -15.890 -8.796 1.008 1.00 . B B . 309 LYS CD 1 1 13 11825 2 2 9 LYS CE C -15.975 -9.925 -0.009 1.00 . B B . 309 LYS CE 1 1 13 11826 2 2 9 LYS CG C -16.877 -7.693 0.714 1.00 . B B . 309 LYS CG 1 1 13 11827 2 2 9 LYS H H -17.575 -4.614 -0.423 1.00 . B B . 309 LYS H 1 1 13 11828 2 2 9 LYS HA H -18.706 -5.752 1.234 1.00 . B B . 309 LYS HA 1 1 13 11829 2 2 9 LYS HB2 H -15.863 -6.374 2.011 1.00 . B B . 309 LYS HB2 1 1 13 11830 2 2 9 LYS HB3 H -17.259 -7.170 2.727 1.00 . B B . 309 LYS HB3 1 1 13 11831 2 2 9 LYS HD2 H -14.916 -8.332 0.947 1.00 . B B . 309 LYS HD2 1 1 13 11832 2 2 9 LYS HD3 H -16.068 -9.173 2.004 1.00 . B B . 309 LYS HD3 1 1 13 11833 2 2 9 LYS HE2 H -15.830 -9.498 -0.991 1.00 . B B . 309 LYS HE2 1 1 13 11834 2 2 9 LYS HE3 H -15.196 -10.645 0.205 1.00 . B B . 309 LYS HE3 1 1 13 11835 2 2 9 LYS HG2 H -17.865 -8.117 0.609 1.00 . B B . 309 LYS HG2 1 1 13 11836 2 2 9 LYS HG3 H -16.595 -7.200 -0.204 1.00 . B B . 309 LYS HG3 1 1 13 11837 2 2 9 LYS HZ1 H -17.499 -10.985 0.969 1.00 . B B . 309 LYS HZ1 1 1 13 11838 2 2 9 LYS HZ2 H -17.365 -11.370 -0.662 1.00 . B B . 309 LYS HZ2 1 1 13 11839 2 2 9 LYS HZ3 H -18.063 -9.933 -0.199 1.00 . B B . 309 LYS HZ3 1 1 13 11840 2 2 9 LYS N N -17.128 -4.647 0.448 1.00 . B B . 309 LYS N 1 1 13 11841 2 2 9 LYS NZ N -17.292 -10.596 0.027 1.00 . B B . 309 LYS NZ 1 1 13 11842 3 3 1 ZN ZN ZN 9.517 -0.192 -5.094 1.00 . C A . 53 ZN ZN 1 1 13 11843 4 3 1 ZN ZN ZN 0.282 -5.844 1.187 1.00 . D A . 54 ZN ZN 1 1 14 11844 1 1 1 SER C C -4.991 -8.939 -1.504 1.00 . A A . 1 SER C 1 1 14 11845 1 1 1 SER CA C -6.444 -9.087 -1.986 1.00 . A A . 1 SER CA 1 1 14 11846 1 1 1 SER CB C -7.266 -7.826 -1.646 1.00 . A A . 1 SER CB 1 1 14 11847 1 1 1 SER HA H -6.435 -9.227 -3.056 1.00 . A A . 1 SER HA 1 1 14 11848 1 1 1 SER HB2 H -8.282 -7.968 -1.989 1.00 . A A . 1 SER HB2 1 1 14 11849 1 1 1 SER HB3 H -7.278 -7.668 -0.576 1.00 . A A . 1 SER HB3 1 1 14 11850 1 1 1 SER HG H -6.236 -6.902 -3.061 1.00 . A A . 1 SER HG 1 1 14 11851 1 1 1 SER N N -7.071 -10.287 -1.398 1.00 . A A . 1 SER N 1 1 14 11852 1 1 1 SER O O -4.721 -8.490 -0.367 1.00 . A A . 1 SER O 1 1 14 11853 1 1 1 SER OG O -6.739 -6.652 -2.276 1.00 . A A . 1 SER OG 1 1 14 11854 1 1 2 VAL C C -2.044 -8.142 -2.861 1.00 . A A . 2 VAL C 1 1 14 11855 1 1 2 VAL CA C -2.673 -9.267 -2.049 1.00 . A A . 2 VAL CA 1 1 14 11856 1 1 2 VAL CB C -1.965 -10.608 -2.415 1.00 . A A . 2 VAL CB 1 1 14 11857 1 1 2 VAL CG1 C -0.532 -10.655 -1.885 1.00 . A A . 2 VAL CG1 1 1 14 11858 1 1 2 VAL CG2 C -2.765 -11.819 -1.954 1.00 . A A . 2 VAL CG2 1 1 14 11859 1 1 2 VAL H H -4.340 -9.601 -3.256 1.00 . A A . 2 VAL H 1 1 14 11860 1 1 2 VAL HA H -2.583 -9.081 -0.984 1.00 . A A . 2 VAL HA 1 1 14 11861 1 1 2 VAL HB H -1.892 -10.634 -3.492 1.00 . A A . 2 VAL HB 1 1 14 11862 1 1 2 VAL HG11 H 0.037 -9.849 -2.325 1.00 . A A . 2 VAL HG11 1 1 14 11863 1 1 2 VAL HG12 H -0.075 -11.603 -2.129 1.00 . A A . 2 VAL HG12 1 1 14 11864 1 1 2 VAL HG13 H -0.535 -10.523 -0.814 1.00 . A A . 2 VAL HG13 1 1 14 11865 1 1 2 VAL HG21 H -2.858 -11.795 -0.879 1.00 . A A . 2 VAL HG21 1 1 14 11866 1 1 2 VAL HG22 H -2.237 -12.719 -2.231 1.00 . A A . 2 VAL HG22 1 1 14 11867 1 1 2 VAL HG23 H -3.747 -11.815 -2.406 1.00 . A A . 2 VAL HG23 1 1 14 11868 1 1 2 VAL N N -4.074 -9.305 -2.357 1.00 . A A . 2 VAL N 1 1 14 11869 1 1 2 VAL O O -2.436 -7.894 -3.991 1.00 . A A . 2 VAL O 1 1 14 11870 1 1 3 CYS C C 0.980 -6.927 -3.174 1.00 . A A . 3 CYS C 1 1 14 11871 1 1 3 CYS CA C -0.424 -6.384 -2.936 1.00 . A A . 3 CYS CA 1 1 14 11872 1 1 3 CYS CB C -0.325 -5.209 -2.032 1.00 . A A . 3 CYS CB 1 1 14 11873 1 1 3 CYS H H -0.848 -7.692 -1.371 1.00 . A A . 3 CYS H 1 1 14 11874 1 1 3 CYS HA H -0.921 -6.141 -3.863 1.00 . A A . 3 CYS HA 1 1 14 11875 1 1 3 CYS HB2 H -0.204 -4.315 -2.626 1.00 . A A . 3 CYS HB2 1 1 14 11876 1 1 3 CYS HB3 H -1.220 -5.122 -1.435 1.00 . A A . 3 CYS HB3 1 1 14 11877 1 1 3 CYS N N -1.124 -7.452 -2.275 1.00 . A A . 3 CYS N 1 1 14 11878 1 1 3 CYS O O 1.268 -8.032 -2.718 1.00 . A A . 3 CYS O 1 1 14 11879 1 1 3 CYS SG S 1.059 -5.351 -0.926 1.00 . A A . 3 CYS SG 1 1 14 11880 1 1 4 ALA C C 4.243 -6.316 -3.109 1.00 . A A . 4 ALA C 1 1 14 11881 1 1 4 ALA CA C 3.151 -6.845 -4.020 1.00 . A A . 4 ALA CA 1 1 14 11882 1 1 4 ALA CB C 3.588 -6.748 -5.431 1.00 . A A . 4 ALA CB 1 1 14 11883 1 1 4 ALA H H 1.567 -5.297 -4.063 1.00 . A A . 4 ALA H 1 1 14 11884 1 1 4 ALA HA H 3.004 -7.892 -3.804 1.00 . A A . 4 ALA HA 1 1 14 11885 1 1 4 ALA HB1 H 2.809 -7.123 -6.076 1.00 . A A . 4 ALA HB1 1 1 14 11886 1 1 4 ALA HB2 H 4.512 -7.298 -5.541 1.00 . A A . 4 ALA HB2 1 1 14 11887 1 1 4 ALA HB3 H 3.751 -5.696 -5.619 1.00 . A A . 4 ALA HB3 1 1 14 11888 1 1 4 ALA N N 1.869 -6.205 -3.841 1.00 . A A . 4 ALA N 1 1 14 11889 1 1 4 ALA O O 5.145 -5.598 -3.526 1.00 . A A . 4 ALA O 1 1 14 11890 1 1 5 ALA C C 5.601 -7.984 -0.498 1.00 . A A . 5 ALA C 1 1 14 11891 1 1 5 ALA CA C 5.204 -6.569 -0.917 1.00 . A A . 5 ALA CA 1 1 14 11892 1 1 5 ALA CB C 4.848 -5.695 0.299 1.00 . A A . 5 ALA CB 1 1 14 11893 1 1 5 ALA H H 3.179 -6.473 -1.550 1.00 . A A . 5 ALA H 1 1 14 11894 1 1 5 ALA HA H 6.042 -6.117 -1.428 1.00 . A A . 5 ALA HA 1 1 14 11895 1 1 5 ALA HB1 H 4.575 -4.711 -0.056 1.00 . A A . 5 ALA HB1 1 1 14 11896 1 1 5 ALA HB2 H 5.700 -5.600 0.954 1.00 . A A . 5 ALA HB2 1 1 14 11897 1 1 5 ALA HB3 H 4.020 -6.108 0.858 1.00 . A A . 5 ALA HB3 1 1 14 11898 1 1 5 ALA N N 4.093 -6.609 -1.844 1.00 . A A . 5 ALA N 1 1 14 11899 1 1 5 ALA O O 4.744 -8.820 -0.230 1.00 . A A . 5 ALA O 1 1 14 11900 1 1 6 GLN C C 6.941 -10.116 1.207 1.00 . A A . 6 GLN C 1 1 14 11901 1 1 6 GLN CA C 7.479 -9.554 -0.104 1.00 . A A . 6 GLN CA 1 1 14 11902 1 1 6 GLN CB C 9.013 -9.506 -0.068 1.00 . A A . 6 GLN CB 1 1 14 11903 1 1 6 GLN CD C 11.189 -9.242 -1.337 1.00 . A A . 6 GLN CD 1 1 14 11904 1 1 6 GLN CG C 9.668 -9.187 -1.411 1.00 . A A . 6 GLN CG 1 1 14 11905 1 1 6 GLN H H 7.503 -7.505 -0.726 1.00 . A A . 6 GLN H 1 1 14 11906 1 1 6 GLN HA H 7.190 -10.250 -0.879 1.00 . A A . 6 GLN HA 1 1 14 11907 1 1 6 GLN HB2 H 9.330 -8.751 0.637 1.00 . A A . 6 GLN HB2 1 1 14 11908 1 1 6 GLN HB3 H 9.385 -10.460 0.263 1.00 . A A . 6 GLN HB3 1 1 14 11909 1 1 6 GLN HE21 H 11.343 -7.281 -0.916 1.00 . A A . 6 GLN HE21 1 1 14 11910 1 1 6 GLN HE22 H 12.803 -8.147 -1.008 1.00 . A A . 6 GLN HE22 1 1 14 11911 1 1 6 GLN HG2 H 9.327 -9.912 -2.138 1.00 . A A . 6 GLN HG2 1 1 14 11912 1 1 6 GLN HG3 H 9.363 -8.199 -1.723 1.00 . A A . 6 GLN HG3 1 1 14 11913 1 1 6 GLN N N 6.910 -8.235 -0.458 1.00 . A A . 6 GLN N 1 1 14 11914 1 1 6 GLN NE2 N 11.825 -8.120 -1.069 1.00 . A A . 6 GLN NE2 1 1 14 11915 1 1 6 GLN O O 6.607 -11.291 1.284 1.00 . A A . 6 GLN O 1 1 14 11916 1 1 6 GLN OE1 O 11.788 -10.297 -1.556 1.00 . A A . 6 GLN OE1 1 1 14 11917 1 1 7 ASN C C 4.996 -9.136 3.790 1.00 . A A . 7 ASN C 1 1 14 11918 1 1 7 ASN CA C 6.375 -9.731 3.513 1.00 . A A . 7 ASN CA 1 1 14 11919 1 1 7 ASN CB C 7.411 -9.326 4.576 1.00 . A A . 7 ASN CB 1 1 14 11920 1 1 7 ASN CG C 7.133 -9.889 5.971 1.00 . A A . 7 ASN CG 1 1 14 11921 1 1 7 ASN H H 7.051 -8.336 2.083 1.00 . A A . 7 ASN H 1 1 14 11922 1 1 7 ASN HA H 6.294 -10.809 3.483 1.00 . A A . 7 ASN HA 1 1 14 11923 1 1 7 ASN HB2 H 8.367 -9.692 4.235 1.00 . A A . 7 ASN HB2 1 1 14 11924 1 1 7 ASN HB3 H 7.452 -8.247 4.633 1.00 . A A . 7 ASN HB3 1 1 14 11925 1 1 7 ASN HD21 H 8.205 -11.504 5.570 1.00 . A A . 7 ASN HD21 1 1 14 11926 1 1 7 ASN HD22 H 7.492 -11.426 7.137 1.00 . A A . 7 ASN HD22 1 1 14 11927 1 1 7 ASN N N 6.833 -9.282 2.209 1.00 . A A . 7 ASN N 1 1 14 11928 1 1 7 ASN ND2 N 7.662 -11.051 6.247 1.00 . A A . 7 ASN ND2 1 1 14 11929 1 1 7 ASN O O 4.803 -8.350 4.697 1.00 . A A . 7 ASN O 1 1 14 11930 1 1 7 ASN OD1 O 6.479 -9.270 6.797 1.00 . A A . 7 ASN OD1 1 1 14 11931 1 1 8 CYS C C 1.737 -9.906 3.718 1.00 . A A . 8 CYS C 1 1 14 11932 1 1 8 CYS CA C 2.745 -8.938 3.041 1.00 . A A . 8 CYS CA 1 1 14 11933 1 1 8 CYS CB C 2.239 -8.469 1.667 1.00 . A A . 8 CYS CB 1 1 14 11934 1 1 8 CYS H H 4.235 -10.074 2.190 1.00 . A A . 8 CYS H 1 1 14 11935 1 1 8 CYS HA H 2.806 -8.067 3.675 1.00 . A A . 8 CYS HA 1 1 14 11936 1 1 8 CYS HB2 H 2.828 -7.642 1.311 1.00 . A A . 8 CYS HB2 1 1 14 11937 1 1 8 CYS HB3 H 2.334 -9.287 0.968 1.00 . A A . 8 CYS HB3 1 1 14 11938 1 1 8 CYS N N 4.076 -9.454 2.933 1.00 . A A . 8 CYS N 1 1 14 11939 1 1 8 CYS O O 1.897 -11.133 3.702 1.00 . A A . 8 CYS O 1 1 14 11940 1 1 8 CYS SG S 0.529 -7.960 1.669 1.00 . A A . 8 CYS SG 1 1 14 11941 1 1 9 GLN C C -1.659 -9.599 4.040 1.00 . A A . 9 GLN C 1 1 14 11942 1 1 9 GLN CA C -0.422 -9.989 4.860 1.00 . A A . 9 GLN CA 1 1 14 11943 1 1 9 GLN CB C -0.661 -9.675 6.346 1.00 . A A . 9 GLN CB 1 1 14 11944 1 1 9 GLN CD C 0.055 -9.958 8.728 1.00 . A A . 9 GLN CD 1 1 14 11945 1 1 9 GLN CG C 0.456 -10.106 7.272 1.00 . A A . 9 GLN CG 1 1 14 11946 1 1 9 GLN H H 0.951 -8.350 4.245 1.00 . A A . 9 GLN H 1 1 14 11947 1 1 9 GLN HA H -0.258 -11.050 4.728 1.00 . A A . 9 GLN HA 1 1 14 11948 1 1 9 GLN HB2 H -0.785 -8.608 6.453 1.00 . A A . 9 GLN HB2 1 1 14 11949 1 1 9 GLN HB3 H -1.573 -10.163 6.659 1.00 . A A . 9 GLN HB3 1 1 14 11950 1 1 9 GLN HE21 H 0.714 -8.099 8.764 1.00 . A A . 9 GLN HE21 1 1 14 11951 1 1 9 GLN HE22 H 0.007 -8.688 10.231 1.00 . A A . 9 GLN HE22 1 1 14 11952 1 1 9 GLN HG2 H 0.678 -11.145 7.081 1.00 . A A . 9 GLN HG2 1 1 14 11953 1 1 9 GLN HG3 H 1.329 -9.497 7.082 1.00 . A A . 9 GLN HG3 1 1 14 11954 1 1 9 GLN N N 0.729 -9.298 4.316 1.00 . A A . 9 GLN N 1 1 14 11955 1 1 9 GLN NE2 N 0.291 -8.803 9.297 1.00 . A A . 9 GLN NE2 1 1 14 11956 1 1 9 GLN O O -1.737 -8.480 3.515 1.00 . A A . 9 GLN O 1 1 14 11957 1 1 9 GLN OE1 O -0.479 -10.886 9.326 1.00 . A A . 9 GLN OE1 1 1 14 11958 1 1 10 ARG C C -4.901 -9.876 4.179 1.00 . A A . 10 ARG C 1 1 14 11959 1 1 10 ARG CA C -3.825 -10.305 3.196 1.00 . A A . 10 ARG CA 1 1 14 11960 1 1 10 ARG CB C -4.257 -11.622 2.552 1.00 . A A . 10 ARG CB 1 1 14 11961 1 1 10 ARG CD C -3.642 -13.622 1.184 1.00 . A A . 10 ARG CD 1 1 14 11962 1 1 10 ARG CG C -3.159 -12.324 1.802 1.00 . A A . 10 ARG CG 1 1 14 11963 1 1 10 ARG CZ C -2.663 -15.416 -0.241 1.00 . A A . 10 ARG CZ 1 1 14 11964 1 1 10 ARG H H -2.564 -11.353 4.401 1.00 . A A . 10 ARG H 1 1 14 11965 1 1 10 ARG HA H -3.679 -9.555 2.434 1.00 . A A . 10 ARG HA 1 1 14 11966 1 1 10 ARG HB2 H -4.613 -12.271 3.340 1.00 . A A . 10 ARG HB2 1 1 14 11967 1 1 10 ARG HB3 H -5.074 -11.431 1.871 1.00 . A A . 10 ARG HB3 1 1 14 11968 1 1 10 ARG HD2 H -4.076 -14.244 1.954 1.00 . A A . 10 ARG HD2 1 1 14 11969 1 1 10 ARG HD3 H -4.389 -13.383 0.442 1.00 . A A . 10 ARG HD3 1 1 14 11970 1 1 10 ARG HE H -1.658 -13.944 0.729 1.00 . A A . 10 ARG HE 1 1 14 11971 1 1 10 ARG HG2 H -2.798 -11.659 1.036 1.00 . A A . 10 ARG HG2 1 1 14 11972 1 1 10 ARG HG3 H -2.355 -12.534 2.490 1.00 . A A . 10 ARG HG3 1 1 14 11973 1 1 10 ARG HH11 H -4.707 -15.555 -0.101 1.00 . A A . 10 ARG HH11 1 1 14 11974 1 1 10 ARG HH12 H -3.983 -16.762 -1.057 1.00 . A A . 10 ARG HH12 1 1 14 11975 1 1 10 ARG HH21 H -0.651 -15.621 -0.590 1.00 . A A . 10 ARG HH21 1 1 14 11976 1 1 10 ARG HH22 H -1.619 -16.785 -1.349 1.00 . A A . 10 ARG HH22 1 1 14 11977 1 1 10 ARG N N -2.604 -10.500 3.941 1.00 . A A . 10 ARG N 1 1 14 11978 1 1 10 ARG NE N -2.542 -14.337 0.535 1.00 . A A . 10 ARG NE 1 1 14 11979 1 1 10 ARG NH1 N -3.866 -15.946 -0.482 1.00 . A A . 10 ARG NH1 1 1 14 11980 1 1 10 ARG NH2 N -1.577 -15.977 -0.757 1.00 . A A . 10 ARG NH2 1 1 14 11981 1 1 10 ARG O O -5.425 -10.703 4.918 1.00 . A A . 10 ARG O 1 1 14 11982 1 1 11 PRO C C -7.621 -8.433 4.783 1.00 . A A . 11 PRO C 1 1 14 11983 1 1 11 PRO CA C -6.190 -8.080 5.191 1.00 . A A . 11 PRO CA 1 1 14 11984 1 1 11 PRO CB C -5.968 -6.573 5.180 1.00 . A A . 11 PRO CB 1 1 14 11985 1 1 11 PRO CD C -4.584 -7.522 3.460 1.00 . A A . 11 PRO CD 1 1 14 11986 1 1 11 PRO CG C -5.347 -6.286 3.861 1.00 . A A . 11 PRO CG 1 1 14 11987 1 1 11 PRO HA H -6.001 -8.473 6.178 1.00 . A A . 11 PRO HA 1 1 14 11988 1 1 11 PRO HB2 H -6.919 -6.077 5.293 1.00 . A A . 11 PRO HB2 1 1 14 11989 1 1 11 PRO HB3 H -5.314 -6.305 5.996 1.00 . A A . 11 PRO HB3 1 1 14 11990 1 1 11 PRO HD2 H -4.653 -7.734 2.399 1.00 . A A . 11 PRO HD2 1 1 14 11991 1 1 11 PRO HD3 H -3.548 -7.402 3.743 1.00 . A A . 11 PRO HD3 1 1 14 11992 1 1 11 PRO HG2 H -6.119 -6.078 3.136 1.00 . A A . 11 PRO HG2 1 1 14 11993 1 1 11 PRO HG3 H -4.680 -5.441 3.939 1.00 . A A . 11 PRO HG3 1 1 14 11994 1 1 11 PRO N N -5.201 -8.582 4.251 1.00 . A A . 11 PRO N 1 1 14 11995 1 1 11 PRO O O -8.359 -9.031 5.561 1.00 . A A . 11 PRO O 1 1 14 11996 1 1 12 CYS C C -10.460 -7.708 3.846 1.00 . A A . 12 CYS C 1 1 14 11997 1 1 12 CYS CA C -9.338 -8.293 2.970 1.00 . A A . 12 CYS CA 1 1 14 11998 1 1 12 CYS CB C -9.528 -9.795 2.762 1.00 . A A . 12 CYS CB 1 1 14 11999 1 1 12 CYS H H -7.345 -7.567 3.010 1.00 . A A . 12 CYS H 1 1 14 12000 1 1 12 CYS HA H -9.349 -7.792 2.009 1.00 . A A . 12 CYS HA 1 1 14 12001 1 1 12 CYS HB2 H -9.543 -10.282 3.726 1.00 . A A . 12 CYS HB2 1 1 14 12002 1 1 12 CYS HB3 H -10.475 -9.962 2.270 1.00 . A A . 12 CYS HB3 1 1 14 12003 1 1 12 CYS HG H -8.286 -11.882 1.899 1.00 . A A . 12 CYS HG 1 1 14 12004 1 1 12 CYS N N -8.001 -8.036 3.558 1.00 . A A . 12 CYS N 1 1 14 12005 1 1 12 CYS O O -11.617 -8.138 3.781 1.00 . A A . 12 CYS O 1 1 14 12006 1 1 12 CYS SG S -8.225 -10.563 1.759 1.00 . A A . 12 CYS SG 1 1 14 12007 1 1 13 LYS C C -12.030 -5.239 4.607 1.00 . A A . 13 LYS C 1 1 14 12008 1 1 13 LYS CA C -11.028 -5.978 5.490 1.00 . A A . 13 LYS CA 1 1 14 12009 1 1 13 LYS CB C -10.273 -4.933 6.335 1.00 . A A . 13 LYS CB 1 1 14 12010 1 1 13 LYS CD C -8.507 -4.307 7.937 1.00 . A A . 13 LYS CD 1 1 14 12011 1 1 13 LYS CE C -7.510 -4.776 8.947 1.00 . A A . 13 LYS CE 1 1 14 12012 1 1 13 LYS CG C -9.205 -5.469 7.243 1.00 . A A . 13 LYS CG 1 1 14 12013 1 1 13 LYS H H -9.146 -6.488 4.658 1.00 . A A . 13 LYS H 1 1 14 12014 1 1 13 LYS HA H -11.541 -6.664 6.147 1.00 . A A . 13 LYS HA 1 1 14 12015 1 1 13 LYS HB2 H -9.814 -4.183 5.712 1.00 . A A . 13 LYS HB2 1 1 14 12016 1 1 13 LYS HB3 H -10.977 -4.434 6.983 1.00 . A A . 13 LYS HB3 1 1 14 12017 1 1 13 LYS HD2 H -7.987 -3.716 7.196 1.00 . A A . 13 LYS HD2 1 1 14 12018 1 1 13 LYS HD3 H -9.256 -3.700 8.423 1.00 . A A . 13 LYS HD3 1 1 14 12019 1 1 13 LYS HE2 H -8.104 -5.326 9.659 1.00 . A A . 13 LYS HE2 1 1 14 12020 1 1 13 LYS HE3 H -6.794 -5.430 8.468 1.00 . A A . 13 LYS HE3 1 1 14 12021 1 1 13 LYS HG2 H -9.671 -6.100 7.985 1.00 . A A . 13 LYS HG2 1 1 14 12022 1 1 13 LYS HG3 H -8.483 -6.034 6.674 1.00 . A A . 13 LYS HG3 1 1 14 12023 1 1 13 LYS HZ1 H -7.479 -3.059 10.168 1.00 . A A . 13 LYS HZ1 1 1 14 12024 1 1 13 LYS HZ2 H -6.366 -3.026 8.898 1.00 . A A . 13 LYS HZ2 1 1 14 12025 1 1 13 LYS HZ3 H -6.075 -3.989 10.240 1.00 . A A . 13 LYS HZ3 1 1 14 12026 1 1 13 LYS N N -10.094 -6.708 4.647 1.00 . A A . 13 LYS N 1 1 14 12027 1 1 13 LYS NZ N -6.821 -3.639 9.606 1.00 . A A . 13 LYS NZ 1 1 14 12028 1 1 13 LYS O O -11.853 -5.174 3.378 1.00 . A A . 13 LYS O 1 1 14 12029 1 1 14 ASP C C -13.444 -2.813 3.660 1.00 . A A . 14 ASP C 1 1 14 12030 1 1 14 ASP CA C -14.084 -3.879 4.538 1.00 . A A . 14 ASP CA 1 1 14 12031 1 1 14 ASP CB C -15.033 -3.239 5.543 1.00 . A A . 14 ASP CB 1 1 14 12032 1 1 14 ASP CG C -15.786 -4.265 6.359 1.00 . A A . 14 ASP CG 1 1 14 12033 1 1 14 ASP H H -13.137 -4.736 6.210 1.00 . A A . 14 ASP H 1 1 14 12034 1 1 14 ASP HA H -14.638 -4.561 3.908 1.00 . A A . 14 ASP HA 1 1 14 12035 1 1 14 ASP HB2 H -14.473 -2.606 6.214 1.00 . A A . 14 ASP HB2 1 1 14 12036 1 1 14 ASP HB3 H -15.754 -2.643 5.006 1.00 . A A . 14 ASP HB3 1 1 14 12037 1 1 14 ASP N N -13.047 -4.653 5.237 1.00 . A A . 14 ASP N 1 1 14 12038 1 1 14 ASP O O -13.833 -2.615 2.519 1.00 . A A . 14 ASP O 1 1 14 12039 1 1 14 ASP OD1 O -15.189 -4.863 7.285 1.00 . A A . 14 ASP OD1 1 1 14 12040 1 1 14 ASP OD2 O -16.972 -4.514 6.064 1.00 . A A . 14 ASP OD2 1 1 14 12041 1 1 15 LYS C C -10.198 -1.520 3.675 1.00 . A A . 15 LYS C 1 1 14 12042 1 1 15 LYS CA C -11.659 -1.206 3.455 1.00 . A A . 15 LYS CA 1 1 14 12043 1 1 15 LYS CB C -11.987 0.248 3.807 1.00 . A A . 15 LYS CB 1 1 14 12044 1 1 15 LYS CD C -13.638 2.161 3.611 1.00 . A A . 15 LYS CD 1 1 14 12045 1 1 15 LYS CE C -13.904 2.363 5.085 1.00 . A A . 15 LYS CE 1 1 14 12046 1 1 15 LYS CG C -13.346 0.703 3.283 1.00 . A A . 15 LYS CG 1 1 14 12047 1 1 15 LYS H H -12.239 -2.209 5.153 1.00 . A A . 15 LYS H 1 1 14 12048 1 1 15 LYS HA H -11.866 -1.373 2.410 1.00 . A A . 15 LYS HA 1 1 14 12049 1 1 15 LYS HB2 H -11.972 0.344 4.882 1.00 . A A . 15 LYS HB2 1 1 14 12050 1 1 15 LYS HB3 H -11.224 0.892 3.396 1.00 . A A . 15 LYS HB3 1 1 14 12051 1 1 15 LYS HD2 H -12.783 2.758 3.333 1.00 . A A . 15 LYS HD2 1 1 14 12052 1 1 15 LYS HD3 H -14.500 2.487 3.046 1.00 . A A . 15 LYS HD3 1 1 14 12053 1 1 15 LYS HE2 H -13.130 1.793 5.569 1.00 . A A . 15 LYS HE2 1 1 14 12054 1 1 15 LYS HE3 H -13.840 3.409 5.333 1.00 . A A . 15 LYS HE3 1 1 14 12055 1 1 15 LYS HG2 H -13.342 0.576 2.213 1.00 . A A . 15 LYS HG2 1 1 14 12056 1 1 15 LYS HG3 H -14.104 0.076 3.725 1.00 . A A . 15 LYS HG3 1 1 14 12057 1 1 15 LYS HZ1 H -15.984 2.330 5.042 1.00 . A A . 15 LYS HZ1 1 1 14 12058 1 1 15 LYS HZ2 H -15.350 1.897 6.527 1.00 . A A . 15 LYS HZ2 1 1 14 12059 1 1 15 LYS HZ3 H -15.316 0.806 5.235 1.00 . A A . 15 LYS HZ3 1 1 14 12060 1 1 15 LYS N N -12.466 -2.130 4.205 1.00 . A A . 15 LYS N 1 1 14 12061 1 1 15 LYS NZ N -15.210 1.803 5.502 1.00 . A A . 15 LYS NZ 1 1 14 12062 1 1 15 LYS O O -9.771 -1.732 4.813 1.00 . A A . 15 LYS O 1 1 14 12063 1 1 16 VAL C C -7.151 -0.802 2.124 1.00 . A A . 16 VAL C 1 1 14 12064 1 1 16 VAL CA C -8.040 -1.932 2.663 1.00 . A A . 16 VAL CA 1 1 14 12065 1 1 16 VAL CB C -7.705 -3.330 2.047 1.00 . A A . 16 VAL CB 1 1 14 12066 1 1 16 VAL CG1 C -8.304 -4.423 2.895 1.00 . A A . 16 VAL CG1 1 1 14 12067 1 1 16 VAL CG2 C -8.228 -3.463 0.627 1.00 . A A . 16 VAL CG2 1 1 14 12068 1 1 16 VAL H H -9.847 -1.441 1.711 1.00 . A A . 16 VAL H 1 1 14 12069 1 1 16 VAL HA H -7.845 -1.977 3.724 1.00 . A A . 16 VAL HA 1 1 14 12070 1 1 16 VAL HB H -6.632 -3.452 2.034 1.00 . A A . 16 VAL HB 1 1 14 12071 1 1 16 VAL HG11 H -7.909 -4.387 3.898 1.00 . A A . 16 VAL HG11 1 1 14 12072 1 1 16 VAL HG12 H -8.063 -5.380 2.460 1.00 . A A . 16 VAL HG12 1 1 14 12073 1 1 16 VAL HG13 H -9.378 -4.300 2.928 1.00 . A A . 16 VAL HG13 1 1 14 12074 1 1 16 VAL HG21 H -9.295 -3.289 0.591 1.00 . A A . 16 VAL HG21 1 1 14 12075 1 1 16 VAL HG22 H -8.021 -4.472 0.299 1.00 . A A . 16 VAL HG22 1 1 14 12076 1 1 16 VAL HG23 H -7.712 -2.757 -0.004 1.00 . A A . 16 VAL HG23 1 1 14 12077 1 1 16 VAL N N -9.448 -1.607 2.591 1.00 . A A . 16 VAL N 1 1 14 12078 1 1 16 VAL O O -7.583 -0.015 1.265 1.00 . A A . 16 VAL O 1 1 14 12079 1 1 17 ASP C C -4.115 0.105 1.206 1.00 . A A . 17 ASP C 1 1 14 12080 1 1 17 ASP CA C -4.967 0.360 2.422 1.00 . A A . 17 ASP CA 1 1 14 12081 1 1 17 ASP CB C -3.974 0.403 3.595 1.00 . A A . 17 ASP CB 1 1 14 12082 1 1 17 ASP CG C -4.588 0.102 4.941 1.00 . A A . 17 ASP CG 1 1 14 12083 1 1 17 ASP H H -5.573 -1.511 3.147 1.00 . A A . 17 ASP H 1 1 14 12084 1 1 17 ASP HA H -5.486 1.306 2.373 1.00 . A A . 17 ASP HA 1 1 14 12085 1 1 17 ASP HB2 H -3.198 -0.323 3.404 1.00 . A A . 17 ASP HB2 1 1 14 12086 1 1 17 ASP HB3 H -3.537 1.394 3.619 1.00 . A A . 17 ASP HB3 1 1 14 12087 1 1 17 ASP N N -5.918 -0.762 2.624 1.00 . A A . 17 ASP N 1 1 14 12088 1 1 17 ASP O O -3.719 -1.055 0.962 1.00 . A A . 17 ASP O 1 1 14 12089 1 1 17 ASP OD1 O -4.624 -1.109 5.315 1.00 . A A . 17 ASP OD1 1 1 14 12090 1 1 17 ASP OD2 O -5.029 1.020 5.623 1.00 . A A . 17 ASP OD2 1 1 14 12091 1 1 18 TRP C C -1.962 2.208 -0.849 1.00 . A A . 18 TRP C 1 1 14 12092 1 1 18 TRP CA C -2.920 1.005 -0.722 1.00 . A A . 18 TRP CA 1 1 14 12093 1 1 18 TRP CB C -3.724 0.896 -2.020 1.00 . A A . 18 TRP CB 1 1 14 12094 1 1 18 TRP CD1 C -6.051 0.144 -1.482 1.00 . A A . 18 TRP CD1 1 1 14 12095 1 1 18 TRP CD2 C -4.875 -1.377 -2.553 1.00 . A A . 18 TRP CD2 1 1 14 12096 1 1 18 TRP CE2 C -6.110 -1.924 -2.265 1.00 . A A . 18 TRP CE2 1 1 14 12097 1 1 18 TRP CE3 C -3.973 -2.114 -3.237 1.00 . A A . 18 TRP CE3 1 1 14 12098 1 1 18 TRP CG C -4.844 -0.077 -1.996 1.00 . A A . 18 TRP CG 1 1 14 12099 1 1 18 TRP CH2 C -5.524 -3.922 -3.346 1.00 . A A . 18 TRP CH2 1 1 14 12100 1 1 18 TRP CZ2 C -6.459 -3.212 -2.649 1.00 . A A . 18 TRP CZ2 1 1 14 12101 1 1 18 TRP CZ3 C -4.286 -3.377 -3.638 1.00 . A A . 18 TRP CZ3 1 1 14 12102 1 1 18 TRP H H -4.154 2.056 0.633 1.00 . A A . 18 TRP H 1 1 14 12103 1 1 18 TRP HA H -2.347 0.107 -0.566 1.00 . A A . 18 TRP HA 1 1 14 12104 1 1 18 TRP HB2 H -4.137 1.873 -2.164 1.00 . A A . 18 TRP HB2 1 1 14 12105 1 1 18 TRP HB3 H -3.057 0.661 -2.835 1.00 . A A . 18 TRP HB3 1 1 14 12106 1 1 18 TRP HD1 H -6.279 1.100 -1.034 1.00 . A A . 18 TRP HD1 1 1 14 12107 1 1 18 TRP HE1 H -7.720 -1.099 -1.232 1.00 . A A . 18 TRP HE1 1 1 14 12108 1 1 18 TRP HE3 H -3.046 -1.639 -3.449 1.00 . A A . 18 TRP HE3 1 1 14 12109 1 1 18 TRP HH2 H -5.726 -4.923 -3.689 1.00 . A A . 18 TRP HH2 1 1 14 12110 1 1 18 TRP HZ2 H -7.424 -3.647 -2.432 1.00 . A A . 18 TRP HZ2 1 1 14 12111 1 1 18 TRP HZ3 H -3.555 -3.952 -4.187 1.00 . A A . 18 TRP HZ3 1 1 14 12112 1 1 18 TRP N N -3.793 1.160 0.445 1.00 . A A . 18 TRP N 1 1 14 12113 1 1 18 TRP NE1 N -6.812 -0.980 -1.577 1.00 . A A . 18 TRP NE1 1 1 14 12114 1 1 18 TRP O O -2.267 3.315 -0.353 1.00 . A A . 18 TRP O 1 1 14 12115 1 1 19 VAL C C 0.885 2.589 -3.061 1.00 . A A . 19 VAL C 1 1 14 12116 1 1 19 VAL CA C 0.207 3.000 -1.779 1.00 . A A . 19 VAL CA 1 1 14 12117 1 1 19 VAL CB C 1.371 2.955 -0.768 1.00 . A A . 19 VAL CB 1 1 14 12118 1 1 19 VAL CG1 C 2.180 4.232 -0.753 1.00 . A A . 19 VAL CG1 1 1 14 12119 1 1 19 VAL CG2 C 1.005 2.450 0.602 1.00 . A A . 19 VAL CG2 1 1 14 12120 1 1 19 VAL H H -0.577 1.107 -1.882 1.00 . A A . 19 VAL H 1 1 14 12121 1 1 19 VAL HA H -0.209 3.996 -1.822 1.00 . A A . 19 VAL HA 1 1 14 12122 1 1 19 VAL HB H 2.030 2.235 -1.228 1.00 . A A . 19 VAL HB 1 1 14 12123 1 1 19 VAL HG11 H 2.959 4.156 -0.009 1.00 . A A . 19 VAL HG11 1 1 14 12124 1 1 19 VAL HG12 H 1.530 5.063 -0.520 1.00 . A A . 19 VAL HG12 1 1 14 12125 1 1 19 VAL HG13 H 2.622 4.383 -1.729 1.00 . A A . 19 VAL HG13 1 1 14 12126 1 1 19 VAL HG21 H 0.215 3.051 1.021 1.00 . A A . 19 VAL HG21 1 1 14 12127 1 1 19 VAL HG22 H 1.883 2.485 1.227 1.00 . A A . 19 VAL HG22 1 1 14 12128 1 1 19 VAL HG23 H 0.698 1.418 0.500 1.00 . A A . 19 VAL HG23 1 1 14 12129 1 1 19 VAL N N -0.814 1.985 -1.512 1.00 . A A . 19 VAL N 1 1 14 12130 1 1 19 VAL O O 1.098 1.391 -3.250 1.00 . A A . 19 VAL O 1 1 14 12131 1 1 20 GLN C C 3.436 3.647 -4.885 1.00 . A A . 20 GLN C 1 1 14 12132 1 1 20 GLN CA C 2.005 3.135 -5.074 1.00 . A A . 20 GLN CA 1 1 14 12133 1 1 20 GLN CB C 1.413 3.605 -6.392 1.00 . A A . 20 GLN CB 1 1 14 12134 1 1 20 GLN CD C 0.953 2.927 -8.809 1.00 . A A . 20 GLN CD 1 1 14 12135 1 1 20 GLN CG C 1.488 2.515 -7.459 1.00 . A A . 20 GLN CG 1 1 14 12136 1 1 20 GLN H H 0.819 4.408 -3.795 1.00 . A A . 20 GLN H 1 1 14 12137 1 1 20 GLN HA H 2.056 2.055 -5.064 1.00 . A A . 20 GLN HA 1 1 14 12138 1 1 20 GLN HB2 H 0.389 3.918 -6.228 1.00 . A A . 20 GLN HB2 1 1 14 12139 1 1 20 GLN HB3 H 1.977 4.455 -6.735 1.00 . A A . 20 GLN HB3 1 1 14 12140 1 1 20 GLN HE21 H 2.034 1.506 -9.700 1.00 . A A . 20 GLN HE21 1 1 14 12141 1 1 20 GLN HE22 H 1.028 2.496 -10.715 1.00 . A A . 20 GLN HE22 1 1 14 12142 1 1 20 GLN HG2 H 2.521 2.216 -7.583 1.00 . A A . 20 GLN HG2 1 1 14 12143 1 1 20 GLN HG3 H 0.926 1.666 -7.103 1.00 . A A . 20 GLN HG3 1 1 14 12144 1 1 20 GLN N N 1.199 3.508 -3.933 1.00 . A A . 20 GLN N 1 1 14 12145 1 1 20 GLN NE2 N 1.387 2.239 -9.842 1.00 . A A . 20 GLN NE2 1 1 14 12146 1 1 20 GLN O O 3.638 4.731 -4.361 1.00 . A A . 20 GLN O 1 1 14 12147 1 1 20 GLN OE1 O 0.081 3.794 -8.918 1.00 . A A . 20 GLN OE1 1 1 14 12148 1 1 21 CYS C C 6.324 4.118 -6.218 1.00 . A A . 21 CYS C 1 1 14 12149 1 1 21 CYS CA C 5.839 3.195 -5.096 1.00 . A A . 21 CYS CA 1 1 14 12150 1 1 21 CYS CB C 6.671 1.937 -5.165 1.00 . A A . 21 CYS CB 1 1 14 12151 1 1 21 CYS H H 4.220 1.957 -5.639 1.00 . A A . 21 CYS H 1 1 14 12152 1 1 21 CYS HA H 6.012 3.662 -4.139 1.00 . A A . 21 CYS HA 1 1 14 12153 1 1 21 CYS HB2 H 6.270 1.147 -4.568 1.00 . A A . 21 CYS HB2 1 1 14 12154 1 1 21 CYS HB3 H 6.642 1.596 -6.189 1.00 . A A . 21 CYS HB3 1 1 14 12155 1 1 21 CYS N N 4.418 2.835 -5.249 1.00 . A A . 21 CYS N 1 1 14 12156 1 1 21 CYS O O 6.072 3.860 -7.396 1.00 . A A . 21 CYS O 1 1 14 12157 1 1 21 CYS SG S 8.415 2.069 -4.719 1.00 . A A . 21 CYS SG 1 1 14 12158 1 1 22 ASP C C 9.143 5.669 -7.030 1.00 . A A . 22 ASP C 1 1 14 12159 1 1 22 ASP CA C 7.703 6.051 -6.799 1.00 . A A . 22 ASP CA 1 1 14 12160 1 1 22 ASP CB C 7.675 7.485 -6.270 1.00 . A A . 22 ASP CB 1 1 14 12161 1 1 22 ASP CG C 6.303 8.051 -6.146 1.00 . A A . 22 ASP CG 1 1 14 12162 1 1 22 ASP H H 7.251 5.250 -4.878 1.00 . A A . 22 ASP H 1 1 14 12163 1 1 22 ASP HA H 7.156 6.002 -7.729 1.00 . A A . 22 ASP HA 1 1 14 12164 1 1 22 ASP HB2 H 8.126 7.505 -5.288 1.00 . A A . 22 ASP HB2 1 1 14 12165 1 1 22 ASP HB3 H 8.258 8.118 -6.925 1.00 . A A . 22 ASP HB3 1 1 14 12166 1 1 22 ASP N N 7.090 5.125 -5.846 1.00 . A A . 22 ASP N 1 1 14 12167 1 1 22 ASP O O 9.900 6.413 -7.639 1.00 . A A . 22 ASP O 1 1 14 12168 1 1 22 ASP OD1 O 5.769 8.565 -7.177 1.00 . A A . 22 ASP OD1 1 1 14 12169 1 1 22 ASP OD2 O 5.752 8.010 -5.035 1.00 . A A . 22 ASP OD2 1 1 14 12170 1 1 23 GLY C C 11.219 3.230 -7.846 1.00 . A A . 23 GLY C 1 1 14 12171 1 1 23 GLY CA C 10.927 4.108 -6.658 1.00 . A A . 23 GLY CA 1 1 14 12172 1 1 23 GLY H H 8.918 3.838 -6.178 1.00 . A A . 23 GLY H 1 1 14 12173 1 1 23 GLY HA2 H 11.527 5.001 -6.750 1.00 . A A . 23 GLY HA2 1 1 14 12174 1 1 23 GLY HA3 H 11.212 3.582 -5.762 1.00 . A A . 23 GLY HA3 1 1 14 12175 1 1 23 GLY N N 9.534 4.493 -6.563 1.00 . A A . 23 GLY N 1 1 14 12176 1 1 23 GLY O O 12.360 2.850 -8.071 1.00 . A A . 23 GLY O 1 1 14 12177 1 1 24 GLY C C 9.636 0.825 -9.889 1.00 . A A . 24 GLY C 1 1 14 12178 1 1 24 GLY CA C 10.422 2.115 -9.798 1.00 . A A . 24 GLY CA 1 1 14 12179 1 1 24 GLY H H 9.332 3.258 -8.333 1.00 . A A . 24 GLY H 1 1 14 12180 1 1 24 GLY HA2 H 10.160 2.716 -10.657 1.00 . A A . 24 GLY HA2 1 1 14 12181 1 1 24 GLY HA3 H 11.474 1.884 -9.854 1.00 . A A . 24 GLY HA3 1 1 14 12182 1 1 24 GLY N N 10.199 2.898 -8.598 1.00 . A A . 24 GLY N 1 1 14 12183 1 1 24 GLY O O 9.291 0.415 -10.976 1.00 . A A . 24 GLY O 1 1 14 12184 1 1 25 CYS C C 7.143 -0.977 -9.202 1.00 . A A . 25 CYS C 1 1 14 12185 1 1 25 CYS CA C 8.626 -1.145 -8.838 1.00 . A A . 25 CYS CA 1 1 14 12186 1 1 25 CYS CB C 8.750 -1.993 -7.560 1.00 . A A . 25 CYS CB 1 1 14 12187 1 1 25 CYS H H 9.704 0.519 -7.909 1.00 . A A . 25 CYS H 1 1 14 12188 1 1 25 CYS HA H 9.073 -1.686 -9.659 1.00 . A A . 25 CYS HA 1 1 14 12189 1 1 25 CYS HB2 H 8.329 -2.963 -7.766 1.00 . A A . 25 CYS HB2 1 1 14 12190 1 1 25 CYS HB3 H 9.791 -2.108 -7.290 1.00 . A A . 25 CYS HB3 1 1 14 12191 1 1 25 CYS N N 9.357 0.161 -8.754 1.00 . A A . 25 CYS N 1 1 14 12192 1 1 25 CYS O O 6.474 -1.952 -9.508 1.00 . A A . 25 CYS O 1 1 14 12193 1 1 25 CYS SG S 7.874 -1.340 -6.124 1.00 . A A . 25 CYS SG 1 1 14 12194 1 1 26 ASP C C 4.116 -0.194 -8.920 1.00 . A A . 26 ASP C 1 1 14 12195 1 1 26 ASP CA C 5.230 0.696 -9.486 1.00 . A A . 26 ASP CA 1 1 14 12196 1 1 26 ASP CB C 5.017 0.958 -11.006 1.00 . A A . 26 ASP CB 1 1 14 12197 1 1 26 ASP CG C 5.279 -0.238 -11.915 1.00 . A A . 26 ASP CG 1 1 14 12198 1 1 26 ASP H H 7.302 0.998 -9.001 1.00 . A A . 26 ASP H 1 1 14 12199 1 1 26 ASP HA H 5.115 1.640 -8.975 1.00 . A A . 26 ASP HA 1 1 14 12200 1 1 26 ASP HB2 H 3.981 1.228 -11.157 1.00 . A A . 26 ASP HB2 1 1 14 12201 1 1 26 ASP HB3 H 5.637 1.783 -11.325 1.00 . A A . 26 ASP HB3 1 1 14 12202 1 1 26 ASP N N 6.653 0.287 -9.157 1.00 . A A . 26 ASP N 1 1 14 12203 1 1 26 ASP O O 2.974 -0.108 -9.361 1.00 . A A . 26 ASP O 1 1 14 12204 1 1 26 ASP OD1 O 6.460 -0.515 -12.224 1.00 . A A . 26 ASP OD1 1 1 14 12205 1 1 26 ASP OD2 O 4.319 -0.875 -12.386 1.00 . A A . 26 ASP OD2 1 1 14 12206 1 1 27 GLU C C 2.681 -1.125 -6.222 1.00 . A A . 27 GLU C 1 1 14 12207 1 1 27 GLU CA C 3.451 -1.812 -7.314 1.00 . A A . 27 GLU CA 1 1 14 12208 1 1 27 GLU CB C 4.096 -3.088 -6.788 1.00 . A A . 27 GLU CB 1 1 14 12209 1 1 27 GLU CD C 3.394 -4.527 -8.726 1.00 . A A . 27 GLU CD 1 1 14 12210 1 1 27 GLU CG C 4.554 -4.047 -7.869 1.00 . A A . 27 GLU CG 1 1 14 12211 1 1 27 GLU H H 5.317 -0.824 -7.530 1.00 . A A . 27 GLU H 1 1 14 12212 1 1 27 GLU HA H 2.760 -2.084 -8.100 1.00 . A A . 27 GLU HA 1 1 14 12213 1 1 27 GLU HB2 H 4.946 -2.817 -6.180 1.00 . A A . 27 GLU HB2 1 1 14 12214 1 1 27 GLU HB3 H 3.376 -3.582 -6.154 1.00 . A A . 27 GLU HB3 1 1 14 12215 1 1 27 GLU HG2 H 5.279 -3.542 -8.495 1.00 . A A . 27 GLU HG2 1 1 14 12216 1 1 27 GLU HG3 H 5.023 -4.899 -7.397 1.00 . A A . 27 GLU HG3 1 1 14 12217 1 1 27 GLU N N 4.418 -0.938 -7.894 1.00 . A A . 27 GLU N 1 1 14 12218 1 1 27 GLU O O 3.177 -0.145 -5.599 1.00 . A A . 27 GLU O 1 1 14 12219 1 1 27 GLU OE1 O 2.582 -5.352 -8.241 1.00 . A A . 27 GLU OE1 1 1 14 12220 1 1 27 GLU OE2 O 3.284 -4.098 -9.880 1.00 . A A . 27 GLU OE2 1 1 14 12221 1 1 28 TRP C C 0.851 -1.969 -3.706 1.00 . A A . 28 TRP C 1 1 14 12222 1 1 28 TRP CA C 0.628 -1.140 -4.932 1.00 . A A . 28 TRP CA 1 1 14 12223 1 1 28 TRP CB C -0.845 -1.190 -5.312 1.00 . A A . 28 TRP CB 1 1 14 12224 1 1 28 TRP CD1 C -1.337 -0.333 -7.669 1.00 . A A . 28 TRP CD1 1 1 14 12225 1 1 28 TRP CD2 C -1.729 1.137 -6.038 1.00 . A A . 28 TRP CD2 1 1 14 12226 1 1 28 TRP CE2 C -2.055 1.731 -7.248 1.00 . A A . 28 TRP CE2 1 1 14 12227 1 1 28 TRP CE3 C -1.885 1.868 -4.867 1.00 . A A . 28 TRP CE3 1 1 14 12228 1 1 28 TRP CG C -1.274 -0.188 -6.320 1.00 . A A . 28 TRP CG 1 1 14 12229 1 1 28 TRP CH2 C -2.689 3.723 -6.166 1.00 . A A . 28 TRP CH2 1 1 14 12230 1 1 28 TRP CZ2 C -2.541 3.027 -7.332 1.00 . A A . 28 TRP CZ2 1 1 14 12231 1 1 28 TRP CZ3 C -2.360 3.152 -4.941 1.00 . A A . 28 TRP CZ3 1 1 14 12232 1 1 28 TRP H H 1.161 -2.368 -6.548 1.00 . A A . 28 TRP H 1 1 14 12233 1 1 28 TRP HA H 0.900 -0.120 -4.715 1.00 . A A . 28 TRP HA 1 1 14 12234 1 1 28 TRP HB2 H -1.093 -2.163 -5.714 1.00 . A A . 28 TRP HB2 1 1 14 12235 1 1 28 TRP HB3 H -1.421 -1.014 -4.414 1.00 . A A . 28 TRP HB3 1 1 14 12236 1 1 28 TRP HD1 H -1.058 -1.222 -8.212 1.00 . A A . 28 TRP HD1 1 1 14 12237 1 1 28 TRP HE1 H -1.949 0.973 -9.192 1.00 . A A . 28 TRP HE1 1 1 14 12238 1 1 28 TRP HE3 H -1.634 1.434 -3.912 1.00 . A A . 28 TRP HE3 1 1 14 12239 1 1 28 TRP HH2 H -3.062 4.737 -6.193 1.00 . A A . 28 TRP HH2 1 1 14 12240 1 1 28 TRP HZ2 H -2.801 3.464 -8.282 1.00 . A A . 28 TRP HZ2 1 1 14 12241 1 1 28 TRP HZ3 H -2.484 3.717 -4.027 1.00 . A A . 28 TRP HZ3 1 1 14 12242 1 1 28 TRP N N 1.476 -1.621 -5.992 1.00 . A A . 28 TRP N 1 1 14 12243 1 1 28 TRP NE1 N -1.811 0.819 -8.231 1.00 . A A . 28 TRP NE1 1 1 14 12244 1 1 28 TRP O O 0.941 -3.196 -3.790 1.00 . A A . 28 TRP O 1 1 14 12245 1 1 29 PHE C C 0.170 -1.623 -0.326 1.00 . A A . 29 PHE C 1 1 14 12246 1 1 29 PHE CA C 1.216 -2.009 -1.328 1.00 . A A . 29 PHE CA 1 1 14 12247 1 1 29 PHE CB C 2.522 -1.578 -0.724 1.00 . A A . 29 PHE CB 1 1 14 12248 1 1 29 PHE CD1 C 4.289 -2.502 -2.230 1.00 . A A . 29 PHE CD1 1 1 14 12249 1 1 29 PHE CD2 C 4.091 -0.143 -1.933 1.00 . A A . 29 PHE CD2 1 1 14 12250 1 1 29 PHE CE1 C 5.352 -2.299 -3.078 1.00 . A A . 29 PHE CE1 1 1 14 12251 1 1 29 PHE CE2 C 5.136 0.062 -2.751 1.00 . A A . 29 PHE CE2 1 1 14 12252 1 1 29 PHE CG C 3.648 -1.416 -1.656 1.00 . A A . 29 PHE CG 1 1 14 12253 1 1 29 PHE CZ C 5.780 -1.007 -3.335 1.00 . A A . 29 PHE CZ 1 1 14 12254 1 1 29 PHE H H 0.952 -0.336 -2.645 1.00 . A A . 29 PHE H 1 1 14 12255 1 1 29 PHE HA H 1.237 -3.078 -1.476 1.00 . A A . 29 PHE HA 1 1 14 12256 1 1 29 PHE HB2 H 2.380 -0.631 -0.228 1.00 . A A . 29 PHE HB2 1 1 14 12257 1 1 29 PHE HB3 H 2.801 -2.306 0.020 1.00 . A A . 29 PHE HB3 1 1 14 12258 1 1 29 PHE HD1 H 3.941 -3.505 -2.026 1.00 . A A . 29 PHE HD1 1 1 14 12259 1 1 29 PHE HD2 H 3.596 0.720 -1.507 1.00 . A A . 29 PHE HD2 1 1 14 12260 1 1 29 PHE HE1 H 5.862 -3.132 -3.536 1.00 . A A . 29 PHE HE1 1 1 14 12261 1 1 29 PHE HE2 H 5.435 1.082 -2.911 1.00 . A A . 29 PHE HE2 1 1 14 12262 1 1 29 PHE HZ H 6.621 -0.834 -3.988 1.00 . A A . 29 PHE HZ 1 1 14 12263 1 1 29 PHE N N 0.974 -1.319 -2.582 1.00 . A A . 29 PHE N 1 1 14 12264 1 1 29 PHE O O -0.616 -0.741 -0.576 1.00 . A A . 29 PHE O 1 1 14 12265 1 1 30 HIS C C 0.267 -1.092 2.797 1.00 . A A . 30 HIS C 1 1 14 12266 1 1 30 HIS CA C -0.654 -1.872 1.905 1.00 . A A . 30 HIS CA 1 1 14 12267 1 1 30 HIS CB C -1.209 -3.054 2.705 1.00 . A A . 30 HIS CB 1 1 14 12268 1 1 30 HIS CD2 C -3.418 -4.097 1.822 1.00 . A A . 30 HIS CD2 1 1 14 12269 1 1 30 HIS CE1 C -2.577 -5.946 0.973 1.00 . A A . 30 HIS CE1 1 1 14 12270 1 1 30 HIS CG C -2.072 -4.022 1.960 1.00 . A A . 30 HIS CG 1 1 14 12271 1 1 30 HIS H H 0.812 -3.033 0.893 1.00 . A A . 30 HIS H 1 1 14 12272 1 1 30 HIS HA H -1.450 -1.235 1.548 1.00 . A A . 30 HIS HA 1 1 14 12273 1 1 30 HIS HB2 H -0.382 -3.630 3.094 1.00 . A A . 30 HIS HB2 1 1 14 12274 1 1 30 HIS HB3 H -1.779 -2.664 3.535 1.00 . A A . 30 HIS HB3 1 1 14 12275 1 1 30 HIS HD2 H -4.134 -3.354 2.140 1.00 . A A . 30 HIS HD2 1 1 14 12276 1 1 30 HIS HE1 H -2.486 -6.976 0.642 1.00 . A A . 30 HIS HE1 1 1 14 12277 1 1 30 HIS HE2 H -4.505 -5.454 0.654 1.00 . A A . 30 HIS HE2 1 1 14 12278 1 1 30 HIS N N 0.170 -2.291 0.810 1.00 . A A . 30 HIS N 1 1 14 12279 1 1 30 HIS ND1 N -1.576 -5.183 1.402 1.00 . A A . 30 HIS ND1 1 1 14 12280 1 1 30 HIS NE2 N -3.706 -5.303 1.204 1.00 . A A . 30 HIS NE2 1 1 14 12281 1 1 30 HIS O O 1.387 -1.518 2.998 1.00 . A A . 30 HIS O 1 1 14 12282 1 1 31 GLN C C 1.306 0.093 5.282 1.00 . A A . 31 GLN C 1 1 14 12283 1 1 31 GLN CA C 0.596 0.899 4.174 1.00 . A A . 31 GLN CA 1 1 14 12284 1 1 31 GLN CB C -0.371 1.893 4.799 1.00 . A A . 31 GLN CB 1 1 14 12285 1 1 31 GLN CD C -0.602 4.032 3.420 1.00 . A A . 31 GLN CD 1 1 14 12286 1 1 31 GLN CG C -1.179 2.691 3.773 1.00 . A A . 31 GLN CG 1 1 14 12287 1 1 31 GLN H H -1.088 0.326 3.096 1.00 . A A . 31 GLN H 1 1 14 12288 1 1 31 GLN HA H 1.299 1.437 3.555 1.00 . A A . 31 GLN HA 1 1 14 12289 1 1 31 GLN HB2 H -1.060 1.365 5.445 1.00 . A A . 31 GLN HB2 1 1 14 12290 1 1 31 GLN HB3 H 0.217 2.589 5.383 1.00 . A A . 31 GLN HB3 1 1 14 12291 1 1 31 GLN HE21 H -1.484 3.976 1.647 1.00 . A A . 31 GLN HE21 1 1 14 12292 1 1 31 GLN HE22 H -0.541 5.375 2.015 1.00 . A A . 31 GLN HE22 1 1 14 12293 1 1 31 GLN HG2 H -1.015 2.089 2.889 1.00 . A A . 31 GLN HG2 1 1 14 12294 1 1 31 GLN HG3 H -2.238 2.751 3.960 1.00 . A A . 31 GLN HG3 1 1 14 12295 1 1 31 GLN N N -0.184 0.023 3.309 1.00 . A A . 31 GLN N 1 1 14 12296 1 1 31 GLN NE2 N -0.906 4.499 2.243 1.00 . A A . 31 GLN NE2 1 1 14 12297 1 1 31 GLN O O 2.500 0.243 5.508 1.00 . A A . 31 GLN O 1 1 14 12298 1 1 31 GLN OE1 O 0.072 4.666 4.214 1.00 . A A . 31 GLN OE1 1 1 14 12299 1 1 32 VAL C C 2.107 -2.679 6.609 1.00 . A A . 32 VAL C 1 1 14 12300 1 1 32 VAL CA C 1.079 -1.583 7.024 1.00 . A A . 32 VAL CA 1 1 14 12301 1 1 32 VAL CB C -0.079 -2.228 7.833 1.00 . A A . 32 VAL CB 1 1 14 12302 1 1 32 VAL CG1 C -0.941 -1.149 8.468 1.00 . A A . 32 VAL CG1 1 1 14 12303 1 1 32 VAL CG2 C -0.931 -3.120 6.937 1.00 . A A . 32 VAL CG2 1 1 14 12304 1 1 32 VAL H H -0.364 -0.937 5.672 1.00 . A A . 32 VAL H 1 1 14 12305 1 1 32 VAL HA H 1.582 -0.894 7.689 1.00 . A A . 32 VAL HA 1 1 14 12306 1 1 32 VAL HB H 0.358 -2.835 8.612 1.00 . A A . 32 VAL HB 1 1 14 12307 1 1 32 VAL HG11 H -1.331 -0.517 7.684 1.00 . A A . 32 VAL HG11 1 1 14 12308 1 1 32 VAL HG12 H -0.353 -0.553 9.151 1.00 . A A . 32 VAL HG12 1 1 14 12309 1 1 32 VAL HG13 H -1.761 -1.610 8.994 1.00 . A A . 32 VAL HG13 1 1 14 12310 1 1 32 VAL HG21 H -1.716 -3.576 7.522 1.00 . A A . 32 VAL HG21 1 1 14 12311 1 1 32 VAL HG22 H -0.303 -3.887 6.507 1.00 . A A . 32 VAL HG22 1 1 14 12312 1 1 32 VAL HG23 H -1.363 -2.525 6.145 1.00 . A A . 32 VAL HG23 1 1 14 12313 1 1 32 VAL N N 0.569 -0.785 5.923 1.00 . A A . 32 VAL N 1 1 14 12314 1 1 32 VAL O O 3.026 -2.966 7.355 1.00 . A A . 32 VAL O 1 1 14 12315 1 1 33 CYS C C 4.174 -3.923 4.446 1.00 . A A . 33 CYS C 1 1 14 12316 1 1 33 CYS CA C 2.823 -4.391 5.023 1.00 . A A . 33 CYS CA 1 1 14 12317 1 1 33 CYS CB C 2.100 -5.288 4.007 1.00 . A A . 33 CYS CB 1 1 14 12318 1 1 33 CYS H H 1.349 -2.900 4.743 1.00 . A A . 33 CYS H 1 1 14 12319 1 1 33 CYS HA H 3.009 -4.962 5.924 1.00 . A A . 33 CYS HA 1 1 14 12320 1 1 33 CYS HB2 H 2.712 -6.119 3.708 1.00 . A A . 33 CYS HB2 1 1 14 12321 1 1 33 CYS HB3 H 1.149 -5.630 4.369 1.00 . A A . 33 CYS HB3 1 1 14 12322 1 1 33 CYS N N 1.970 -3.253 5.411 1.00 . A A . 33 CYS N 1 1 14 12323 1 1 33 CYS O O 5.162 -4.652 4.464 1.00 . A A . 33 CYS O 1 1 14 12324 1 1 33 CYS SG S 1.699 -4.438 2.540 1.00 . A A . 33 CYS SG 1 1 14 12325 1 1 34 VAL C C 6.044 -1.134 4.239 1.00 . A A . 34 VAL C 1 1 14 12326 1 1 34 VAL CA C 5.369 -2.200 3.314 1.00 . A A . 34 VAL CA 1 1 14 12327 1 1 34 VAL CB C 4.993 -1.598 1.939 1.00 . A A . 34 VAL CB 1 1 14 12328 1 1 34 VAL CG1 C 4.155 -0.356 2.071 1.00 . A A . 34 VAL CG1 1 1 14 12329 1 1 34 VAL CG2 C 6.201 -1.366 1.127 1.00 . A A . 34 VAL CG2 1 1 14 12330 1 1 34 VAL H H 3.452 -2.089 3.933 1.00 . A A . 34 VAL H 1 1 14 12331 1 1 34 VAL HA H 6.064 -3.012 3.161 1.00 . A A . 34 VAL HA 1 1 14 12332 1 1 34 VAL HB H 4.365 -2.295 1.399 1.00 . A A . 34 VAL HB 1 1 14 12333 1 1 34 VAL HG11 H 3.228 -0.557 2.593 1.00 . A A . 34 VAL HG11 1 1 14 12334 1 1 34 VAL HG12 H 3.926 0.049 1.098 1.00 . A A . 34 VAL HG12 1 1 14 12335 1 1 34 VAL HG13 H 4.725 0.369 2.630 1.00 . A A . 34 VAL HG13 1 1 14 12336 1 1 34 VAL HG21 H 6.650 -2.338 0.998 1.00 . A A . 34 VAL HG21 1 1 14 12337 1 1 34 VAL HG22 H 6.838 -0.714 1.701 1.00 . A A . 34 VAL HG22 1 1 14 12338 1 1 34 VAL HG23 H 5.883 -0.925 0.197 1.00 . A A . 34 VAL HG23 1 1 14 12339 1 1 34 VAL N N 4.205 -2.709 3.930 1.00 . A A . 34 VAL N 1 1 14 12340 1 1 34 VAL O O 7.013 -0.477 3.866 1.00 . A A . 34 VAL O 1 1 14 12341 1 1 35 GLY C C 5.926 1.398 6.040 1.00 . A A . 35 GLY C 1 1 14 12342 1 1 35 GLY CA C 6.091 -0.079 6.432 1.00 . A A . 35 GLY CA 1 1 14 12343 1 1 35 GLY H H 4.915 -1.726 5.756 1.00 . A A . 35 GLY H 1 1 14 12344 1 1 35 GLY HA2 H 5.593 -0.228 7.381 1.00 . A A . 35 GLY HA2 1 1 14 12345 1 1 35 GLY HA3 H 7.141 -0.281 6.583 1.00 . A A . 35 GLY HA3 1 1 14 12346 1 1 35 GLY N N 5.561 -1.049 5.471 1.00 . A A . 35 GLY N 1 1 14 12347 1 1 35 GLY O O 6.876 2.176 6.116 1.00 . A A . 35 GLY O 1 1 14 12348 1 1 36 VAL C C 3.805 3.771 6.558 1.00 . A A . 36 VAL C 1 1 14 12349 1 1 36 VAL CA C 4.461 3.168 5.328 1.00 . A A . 36 VAL CA 1 1 14 12350 1 1 36 VAL CB C 3.440 3.360 4.143 1.00 . A A . 36 VAL CB 1 1 14 12351 1 1 36 VAL CG1 C 3.188 4.765 3.843 1.00 . A A . 36 VAL CG1 1 1 14 12352 1 1 36 VAL CG2 C 3.883 2.786 2.895 1.00 . A A . 36 VAL CG2 1 1 14 12353 1 1 36 VAL H H 4.032 1.111 5.490 1.00 . A A . 36 VAL H 1 1 14 12354 1 1 36 VAL HA H 5.376 3.694 5.102 1.00 . A A . 36 VAL HA 1 1 14 12355 1 1 36 VAL HB H 2.502 2.894 4.406 1.00 . A A . 36 VAL HB 1 1 14 12356 1 1 36 VAL HG11 H 2.962 5.347 4.721 1.00 . A A . 36 VAL HG11 1 1 14 12357 1 1 36 VAL HG12 H 2.302 4.686 3.228 1.00 . A A . 36 VAL HG12 1 1 14 12358 1 1 36 VAL HG13 H 4.004 5.151 3.245 1.00 . A A . 36 VAL HG13 1 1 14 12359 1 1 36 VAL HG21 H 4.950 2.881 2.757 1.00 . A A . 36 VAL HG21 1 1 14 12360 1 1 36 VAL HG22 H 3.360 3.420 2.183 1.00 . A A . 36 VAL HG22 1 1 14 12361 1 1 36 VAL HG23 H 3.525 1.771 2.824 1.00 . A A . 36 VAL HG23 1 1 14 12362 1 1 36 VAL N N 4.747 1.773 5.612 1.00 . A A . 36 VAL N 1 1 14 12363 1 1 36 VAL O O 3.111 3.075 7.302 1.00 . A A . 36 VAL O 1 1 14 12364 1 1 37 SER C C 2.379 6.691 6.966 1.00 . A A . 37 SER C 1 1 14 12365 1 1 37 SER CA C 3.282 5.737 7.766 1.00 . A A . 37 SER CA 1 1 14 12366 1 1 37 SER CB C 4.244 6.528 8.643 1.00 . A A . 37 SER CB 1 1 14 12367 1 1 37 SER H H 4.616 5.681 6.357 1.00 . A A . 37 SER H 1 1 14 12368 1 1 37 SER HA H 2.687 5.052 8.354 1.00 . A A . 37 SER HA 1 1 14 12369 1 1 37 SER HB2 H 4.725 7.289 8.053 1.00 . A A . 37 SER HB2 1 1 14 12370 1 1 37 SER HB3 H 3.692 6.987 9.453 1.00 . A A . 37 SER HB3 1 1 14 12371 1 1 37 SER HG H 5.088 4.787 8.849 1.00 . A A . 37 SER HG 1 1 14 12372 1 1 37 SER N N 4.016 5.032 6.785 1.00 . A A . 37 SER N 1 1 14 12373 1 1 37 SER O O 2.815 7.171 5.903 1.00 . A A . 37 SER O 1 1 14 12374 1 1 37 SER OG O 5.233 5.675 9.191 1.00 . A A . 37 SER OG 1 1 14 12375 1 1 38 PRO C C 0.767 9.098 6.126 1.00 . A A . 38 PRO C 1 1 14 12376 1 1 38 PRO CA C 0.147 7.817 6.702 1.00 . A A . 38 PRO CA 1 1 14 12377 1 1 38 PRO CB C -0.909 8.151 7.789 1.00 . A A . 38 PRO CB 1 1 14 12378 1 1 38 PRO CD C 0.565 6.462 8.681 1.00 . A A . 38 PRO CD 1 1 14 12379 1 1 38 PRO CG C -0.381 7.548 9.068 1.00 . A A . 38 PRO CG 1 1 14 12380 1 1 38 PRO HA H -0.316 7.275 5.890 1.00 . A A . 38 PRO HA 1 1 14 12381 1 1 38 PRO HB2 H -1.006 9.226 7.878 1.00 . A A . 38 PRO HB2 1 1 14 12382 1 1 38 PRO HB3 H -1.864 7.727 7.518 1.00 . A A . 38 PRO HB3 1 1 14 12383 1 1 38 PRO HD2 H 1.326 6.328 9.436 1.00 . A A . 38 PRO HD2 1 1 14 12384 1 1 38 PRO HD3 H 0.028 5.538 8.518 1.00 . A A . 38 PRO HD3 1 1 14 12385 1 1 38 PRO HG2 H 0.144 8.302 9.637 1.00 . A A . 38 PRO HG2 1 1 14 12386 1 1 38 PRO HG3 H -1.195 7.144 9.654 1.00 . A A . 38 PRO HG3 1 1 14 12387 1 1 38 PRO N N 1.135 6.963 7.428 1.00 . A A . 38 PRO N 1 1 14 12388 1 1 38 PRO O O 0.614 9.403 4.939 1.00 . A A . 38 PRO O 1 1 14 12389 1 1 39 GLU C C 3.163 10.848 5.445 1.00 . A A . 39 GLU C 1 1 14 12390 1 1 39 GLU CA C 2.159 11.048 6.580 1.00 . A A . 39 GLU CA 1 1 14 12391 1 1 39 GLU CB C 2.894 11.647 7.768 1.00 . A A . 39 GLU CB 1 1 14 12392 1 1 39 GLU CD C 1.158 13.318 8.545 1.00 . A A . 39 GLU CD 1 1 14 12393 1 1 39 GLU CG C 2.016 12.119 8.907 1.00 . A A . 39 GLU CG 1 1 14 12394 1 1 39 GLU H H 1.594 9.427 7.864 1.00 . A A . 39 GLU H 1 1 14 12395 1 1 39 GLU HA H 1.399 11.745 6.269 1.00 . A A . 39 GLU HA 1 1 14 12396 1 1 39 GLU HB2 H 3.588 10.914 8.149 1.00 . A A . 39 GLU HB2 1 1 14 12397 1 1 39 GLU HB3 H 3.456 12.493 7.404 1.00 . A A . 39 GLU HB3 1 1 14 12398 1 1 39 GLU HG2 H 1.363 11.309 9.202 1.00 . A A . 39 GLU HG2 1 1 14 12399 1 1 39 GLU HG3 H 2.666 12.384 9.726 1.00 . A A . 39 GLU HG3 1 1 14 12400 1 1 39 GLU N N 1.513 9.798 6.963 1.00 . A A . 39 GLU N 1 1 14 12401 1 1 39 GLU O O 3.294 11.680 4.576 1.00 . A A . 39 GLU O 1 1 14 12402 1 1 39 GLU OE1 O 1.724 14.426 8.355 1.00 . A A . 39 GLU OE1 1 1 14 12403 1 1 39 GLU OE2 O -0.073 13.193 8.494 1.00 . A A . 39 GLU OE2 1 1 14 12404 1 1 40 MET C C 4.346 9.325 3.057 1.00 . A A . 40 MET C 1 1 14 12405 1 1 40 MET CA C 4.885 9.503 4.470 1.00 . A A . 40 MET CA 1 1 14 12406 1 1 40 MET CB C 5.756 8.310 4.853 1.00 . A A . 40 MET CB 1 1 14 12407 1 1 40 MET CE C 8.284 7.625 8.077 1.00 . A A . 40 MET CE 1 1 14 12408 1 1 40 MET CG C 6.514 8.496 6.150 1.00 . A A . 40 MET CG 1 1 14 12409 1 1 40 MET H H 3.481 9.008 6.015 1.00 . A A . 40 MET H 1 1 14 12410 1 1 40 MET HA H 5.491 10.392 4.494 1.00 . A A . 40 MET HA 1 1 14 12411 1 1 40 MET HB2 H 5.134 7.435 4.949 1.00 . A A . 40 MET HB2 1 1 14 12412 1 1 40 MET HB3 H 6.477 8.159 4.063 1.00 . A A . 40 MET HB3 1 1 14 12413 1 1 40 MET HE1 H 8.887 8.495 7.857 1.00 . A A . 40 MET HE1 1 1 14 12414 1 1 40 MET HE2 H 8.918 6.841 8.459 1.00 . A A . 40 MET HE2 1 1 14 12415 1 1 40 MET HE3 H 7.522 7.856 8.808 1.00 . A A . 40 MET HE3 1 1 14 12416 1 1 40 MET HG2 H 7.164 9.352 6.045 1.00 . A A . 40 MET HG2 1 1 14 12417 1 1 40 MET HG3 H 5.801 8.691 6.939 1.00 . A A . 40 MET HG3 1 1 14 12418 1 1 40 MET N N 3.813 9.722 5.431 1.00 . A A . 40 MET N 1 1 14 12419 1 1 40 MET O O 4.800 9.974 2.134 1.00 . A A . 40 MET O 1 1 14 12420 1 1 40 MET SD S 7.497 7.049 6.575 1.00 . A A . 40 MET SD 1 1 14 12421 1 1 41 ALA C C 1.938 9.206 1.005 1.00 . A A . 41 ALA C 1 1 14 12422 1 1 41 ALA CA C 2.806 8.127 1.599 1.00 . A A . 41 ALA CA 1 1 14 12423 1 1 41 ALA CB C 1.987 6.908 1.708 1.00 . A A . 41 ALA CB 1 1 14 12424 1 1 41 ALA H H 2.967 7.984 3.684 1.00 . A A . 41 ALA H 1 1 14 12425 1 1 41 ALA HA H 3.619 7.907 0.928 1.00 . A A . 41 ALA HA 1 1 14 12426 1 1 41 ALA HB1 H 1.536 6.738 0.743 1.00 . A A . 41 ALA HB1 1 1 14 12427 1 1 41 ALA HB2 H 1.234 7.131 2.452 1.00 . A A . 41 ALA HB2 1 1 14 12428 1 1 41 ALA HB3 H 2.602 6.061 1.991 1.00 . A A . 41 ALA HB3 1 1 14 12429 1 1 41 ALA N N 3.354 8.463 2.914 1.00 . A A . 41 ALA N 1 1 14 12430 1 1 41 ALA O O 1.952 9.420 -0.199 1.00 . A A . 41 ALA O 1 1 14 12431 1 1 42 GLU C C 0.820 12.171 1.131 1.00 . A A . 42 GLU C 1 1 14 12432 1 1 42 GLU CA C 0.223 10.801 1.279 1.00 . A A . 42 GLU CA 1 1 14 12433 1 1 42 GLU CB C -1.061 10.834 2.103 1.00 . A A . 42 GLU CB 1 1 14 12434 1 1 42 GLU CD C -3.131 9.561 2.773 1.00 . A A . 42 GLU CD 1 1 14 12435 1 1 42 GLU CG C -1.744 9.481 2.199 1.00 . A A . 42 GLU CG 1 1 14 12436 1 1 42 GLU H H 1.237 9.792 2.795 1.00 . A A . 42 GLU H 1 1 14 12437 1 1 42 GLU HA H -0.023 10.448 0.288 1.00 . A A . 42 GLU HA 1 1 14 12438 1 1 42 GLU HB2 H -0.795 11.148 3.100 1.00 . A A . 42 GLU HB2 1 1 14 12439 1 1 42 GLU HB3 H -1.750 11.540 1.664 1.00 . A A . 42 GLU HB3 1 1 14 12440 1 1 42 GLU HG2 H -1.811 9.063 1.203 1.00 . A A . 42 GLU HG2 1 1 14 12441 1 1 42 GLU HG3 H -1.142 8.822 2.806 1.00 . A A . 42 GLU HG3 1 1 14 12442 1 1 42 GLU N N 1.174 9.868 1.819 1.00 . A A . 42 GLU N 1 1 14 12443 1 1 42 GLU O O 0.387 12.954 0.289 1.00 . A A . 42 GLU O 1 1 14 12444 1 1 42 GLU OE1 O -3.291 9.644 4.005 1.00 . A A . 42 GLU OE1 1 1 14 12445 1 1 42 GLU OE2 O -4.098 9.555 1.976 1.00 . A A . 42 GLU OE2 1 1 14 12446 1 1 43 ASN C C 3.562 13.818 0.837 1.00 . A A . 43 ASN C 1 1 14 12447 1 1 43 ASN CA C 2.443 13.765 1.853 1.00 . A A . 43 ASN CA 1 1 14 12448 1 1 43 ASN CB C 2.960 14.235 3.205 1.00 . A A . 43 ASN CB 1 1 14 12449 1 1 43 ASN CG C 1.868 14.550 4.219 1.00 . A A . 43 ASN CG 1 1 14 12450 1 1 43 ASN H H 2.032 11.775 2.600 1.00 . A A . 43 ASN H 1 1 14 12451 1 1 43 ASN HA H 1.675 14.458 1.538 1.00 . A A . 43 ASN HA 1 1 14 12452 1 1 43 ASN HB2 H 3.598 13.468 3.623 1.00 . A A . 43 ASN HB2 1 1 14 12453 1 1 43 ASN HB3 H 3.553 15.109 3.023 1.00 . A A . 43 ASN HB3 1 1 14 12454 1 1 43 ASN HD21 H 3.079 14.031 5.687 1.00 . A A . 43 ASN HD21 1 1 14 12455 1 1 43 ASN HD22 H 1.507 14.517 6.190 1.00 . A A . 43 ASN HD22 1 1 14 12456 1 1 43 ASN N N 1.813 12.466 1.934 1.00 . A A . 43 ASN N 1 1 14 12457 1 1 43 ASN ND2 N 2.175 14.354 5.485 1.00 . A A . 43 ASN ND2 1 1 14 12458 1 1 43 ASN O O 3.744 14.840 0.167 1.00 . A A . 43 ASN O 1 1 14 12459 1 1 43 ASN OD1 O 0.764 14.963 3.865 1.00 . A A . 43 ASN OD1 1 1 14 12460 1 1 44 GLU C C 5.525 11.486 -0.998 1.00 . A A . 44 GLU C 1 1 14 12461 1 1 44 GLU CA C 5.466 12.740 -0.160 1.00 . A A . 44 GLU CA 1 1 14 12462 1 1 44 GLU CB C 6.742 12.857 0.679 1.00 . A A . 44 GLU CB 1 1 14 12463 1 1 44 GLU CD C 8.067 14.196 2.330 1.00 . A A . 44 GLU CD 1 1 14 12464 1 1 44 GLU CG C 6.801 14.098 1.544 1.00 . A A . 44 GLU CG 1 1 14 12465 1 1 44 GLU H H 4.002 11.908 1.132 1.00 . A A . 44 GLU H 1 1 14 12466 1 1 44 GLU HA H 5.395 13.601 -0.802 1.00 . A A . 44 GLU HA 1 1 14 12467 1 1 44 GLU HB2 H 6.814 11.998 1.329 1.00 . A A . 44 GLU HB2 1 1 14 12468 1 1 44 GLU HB3 H 7.594 12.869 0.015 1.00 . A A . 44 GLU HB3 1 1 14 12469 1 1 44 GLU HG2 H 6.717 14.967 0.911 1.00 . A A . 44 GLU HG2 1 1 14 12470 1 1 44 GLU HG3 H 5.964 14.089 2.226 1.00 . A A . 44 GLU HG3 1 1 14 12471 1 1 44 GLU N N 4.291 12.737 0.695 1.00 . A A . 44 GLU N 1 1 14 12472 1 1 44 GLU O O 4.751 10.566 -0.784 1.00 . A A . 44 GLU O 1 1 14 12473 1 1 44 GLU OE1 O 9.047 14.759 1.809 1.00 . A A . 44 GLU OE1 1 1 14 12474 1 1 44 GLU OE2 O 8.090 13.736 3.492 1.00 . A A . 44 GLU OE2 1 1 14 12475 1 1 45 ASP C C 7.081 9.135 -1.934 1.00 . A A . 45 ASP C 1 1 14 12476 1 1 45 ASP CA C 6.700 10.298 -2.816 1.00 . A A . 45 ASP CA 1 1 14 12477 1 1 45 ASP CB C 7.888 10.568 -3.759 1.00 . A A . 45 ASP CB 1 1 14 12478 1 1 45 ASP CG C 7.727 11.796 -4.619 1.00 . A A . 45 ASP CG 1 1 14 12479 1 1 45 ASP H H 7.016 12.247 -2.174 1.00 . A A . 45 ASP H 1 1 14 12480 1 1 45 ASP HA H 5.821 10.066 -3.397 1.00 . A A . 45 ASP HA 1 1 14 12481 1 1 45 ASP HB2 H 8.783 10.694 -3.164 1.00 . A A . 45 ASP HB2 1 1 14 12482 1 1 45 ASP HB3 H 8.024 9.712 -4.403 1.00 . A A . 45 ASP HB3 1 1 14 12483 1 1 45 ASP N N 6.454 11.470 -1.964 1.00 . A A . 45 ASP N 1 1 14 12484 1 1 45 ASP O O 7.837 9.315 -0.958 1.00 . A A . 45 ASP O 1 1 14 12485 1 1 45 ASP OD1 O 8.054 12.905 -4.140 1.00 . A A . 45 ASP OD1 1 1 14 12486 1 1 45 ASP OD2 O 7.317 11.684 -5.781 1.00 . A A . 45 ASP OD2 1 1 14 12487 1 1 46 TYR C C 7.763 5.792 -2.118 1.00 . A A . 46 TYR C 1 1 14 12488 1 1 46 TYR CA C 6.937 6.851 -1.409 1.00 . A A . 46 TYR CA 1 1 14 12489 1 1 46 TYR CB C 5.759 6.274 -0.591 1.00 . A A . 46 TYR CB 1 1 14 12490 1 1 46 TYR CD1 C 7.049 5.245 1.335 1.00 . A A . 46 TYR CD1 1 1 14 12491 1 1 46 TYR CD2 C 5.836 3.854 -0.126 1.00 . A A . 46 TYR CD2 1 1 14 12492 1 1 46 TYR CE1 C 7.490 4.132 2.041 1.00 . A A . 46 TYR CE1 1 1 14 12493 1 1 46 TYR CE2 C 6.262 2.739 0.534 1.00 . A A . 46 TYR CE2 1 1 14 12494 1 1 46 TYR CG C 6.202 5.097 0.240 1.00 . A A . 46 TYR CG 1 1 14 12495 1 1 46 TYR CZ C 7.097 2.875 1.623 1.00 . A A . 46 TYR CZ 1 1 14 12496 1 1 46 TYR H H 6.058 7.863 -3.050 1.00 . A A . 46 TYR H 1 1 14 12497 1 1 46 TYR HA H 7.645 7.242 -0.697 1.00 . A A . 46 TYR HA 1 1 14 12498 1 1 46 TYR HB2 H 5.381 7.035 0.075 1.00 . A A . 46 TYR HB2 1 1 14 12499 1 1 46 TYR HB3 H 4.975 5.939 -1.253 1.00 . A A . 46 TYR HB3 1 1 14 12500 1 1 46 TYR HD1 H 7.340 6.241 1.642 1.00 . A A . 46 TYR HD1 1 1 14 12501 1 1 46 TYR HD2 H 5.177 3.839 -0.971 1.00 . A A . 46 TYR HD2 1 1 14 12502 1 1 46 TYR HE1 H 8.141 4.260 2.891 1.00 . A A . 46 TYR HE1 1 1 14 12503 1 1 46 TYR HE2 H 5.933 1.766 0.199 1.00 . A A . 46 TYR HE2 1 1 14 12504 1 1 46 TYR HH H 7.454 1.825 3.239 1.00 . A A . 46 TYR HH 1 1 14 12505 1 1 46 TYR N N 6.605 7.963 -2.234 1.00 . A A . 46 TYR N 1 1 14 12506 1 1 46 TYR O O 7.426 5.297 -3.186 1.00 . A A . 46 TYR O 1 1 14 12507 1 1 46 TYR OH O 7.537 1.757 2.281 1.00 . A A . 46 TYR OH 1 1 14 12508 1 1 47 ILE C C 9.812 3.324 -1.084 1.00 . A A . 47 ILE C 1 1 14 12509 1 1 47 ILE CA C 9.816 4.530 -1.997 1.00 . A A . 47 ILE CA 1 1 14 12510 1 1 47 ILE CB C 11.248 5.146 -2.010 1.00 . A A . 47 ILE CB 1 1 14 12511 1 1 47 ILE CD1 C 10.831 6.607 -4.099 1.00 . A A . 47 ILE CD1 1 1 14 12512 1 1 47 ILE CG1 C 11.265 6.557 -2.657 1.00 . A A . 47 ILE CG1 1 1 14 12513 1 1 47 ILE CG2 C 12.236 4.215 -2.710 1.00 . A A . 47 ILE CG2 1 1 14 12514 1 1 47 ILE H H 8.843 5.957 -0.640 1.00 . A A . 47 ILE H 1 1 14 12515 1 1 47 ILE HA H 9.535 4.202 -2.990 1.00 . A A . 47 ILE HA 1 1 14 12516 1 1 47 ILE HB H 11.577 5.228 -0.984 1.00 . A A . 47 ILE HB 1 1 14 12517 1 1 47 ILE HD11 H 9.811 6.262 -4.180 1.00 . A A . 47 ILE HD11 1 1 14 12518 1 1 47 ILE HD12 H 11.473 5.972 -4.692 1.00 . A A . 47 ILE HD12 1 1 14 12519 1 1 47 ILE HD13 H 10.899 7.626 -4.454 1.00 . A A . 47 ILE HD13 1 1 14 12520 1 1 47 ILE HG12 H 10.558 7.174 -2.123 1.00 . A A . 47 ILE HG12 1 1 14 12521 1 1 47 ILE HG13 H 12.258 6.978 -2.581 1.00 . A A . 47 ILE HG13 1 1 14 12522 1 1 47 ILE HG21 H 12.274 3.275 -2.179 1.00 . A A . 47 ILE HG21 1 1 14 12523 1 1 47 ILE HG22 H 13.215 4.669 -2.724 1.00 . A A . 47 ILE HG22 1 1 14 12524 1 1 47 ILE HG23 H 11.914 4.041 -3.723 1.00 . A A . 47 ILE HG23 1 1 14 12525 1 1 47 ILE N N 8.852 5.470 -1.488 1.00 . A A . 47 ILE N 1 1 14 12526 1 1 47 ILE O O 10.157 3.436 0.082 1.00 . A A . 47 ILE O 1 1 14 12527 1 1 48 CYS C C 10.792 0.516 -0.509 1.00 . A A . 48 CYS C 1 1 14 12528 1 1 48 CYS CA C 9.363 0.965 -0.828 1.00 . A A . 48 CYS CA 1 1 14 12529 1 1 48 CYS CB C 8.653 -0.151 -1.592 1.00 . A A . 48 CYS CB 1 1 14 12530 1 1 48 CYS H H 9.140 2.222 -2.552 1.00 . A A . 48 CYS H 1 1 14 12531 1 1 48 CYS HA H 8.830 1.171 0.087 1.00 . A A . 48 CYS HA 1 1 14 12532 1 1 48 CYS HB2 H 8.338 -0.906 -0.888 1.00 . A A . 48 CYS HB2 1 1 14 12533 1 1 48 CYS HB3 H 7.782 0.258 -2.083 1.00 . A A . 48 CYS HB3 1 1 14 12534 1 1 48 CYS N N 9.411 2.187 -1.613 1.00 . A A . 48 CYS N 1 1 14 12535 1 1 48 CYS O O 11.750 0.988 -1.138 1.00 . A A . 48 CYS O 1 1 14 12536 1 1 48 CYS SG S 9.673 -0.964 -2.853 1.00 . A A . 48 CYS SG 1 1 14 12537 1 1 49 ILE C C 12.993 -1.647 -0.245 1.00 . A A . 49 ILE C 1 1 14 12538 1 1 49 ILE CA C 12.229 -0.908 0.829 1.00 . A A . 49 ILE CA 1 1 14 12539 1 1 49 ILE CB C 12.104 -1.686 2.119 1.00 . A A . 49 ILE CB 1 1 14 12540 1 1 49 ILE CD1 C 11.768 -4.099 1.319 1.00 . A A . 49 ILE CD1 1 1 14 12541 1 1 49 ILE CG1 C 11.205 -2.889 2.029 1.00 . A A . 49 ILE CG1 1 1 14 12542 1 1 49 ILE CG2 C 11.531 -0.760 3.128 1.00 . A A . 49 ILE CG2 1 1 14 12543 1 1 49 ILE H H 10.169 -0.879 0.830 1.00 . A A . 49 ILE H 1 1 14 12544 1 1 49 ILE HA H 12.779 -0.020 1.075 1.00 . A A . 49 ILE HA 1 1 14 12545 1 1 49 ILE HB H 13.089 -1.982 2.439 1.00 . A A . 49 ILE HB 1 1 14 12546 1 1 49 ILE HD11 H 12.636 -4.468 1.844 1.00 . A A . 49 ILE HD11 1 1 14 12547 1 1 49 ILE HD12 H 12.044 -3.808 0.315 1.00 . A A . 49 ILE HD12 1 1 14 12548 1 1 49 ILE HD13 H 11.004 -4.859 1.275 1.00 . A A . 49 ILE HD13 1 1 14 12549 1 1 49 ILE HG12 H 11.158 -3.061 3.080 1.00 . A A . 49 ILE HG12 1 1 14 12550 1 1 49 ILE HG13 H 10.228 -2.619 1.656 1.00 . A A . 49 ILE HG13 1 1 14 12551 1 1 49 ILE HG21 H 10.624 -0.448 2.628 1.00 . A A . 49 ILE HG21 1 1 14 12552 1 1 49 ILE HG22 H 12.204 0.072 3.272 1.00 . A A . 49 ILE HG22 1 1 14 12553 1 1 49 ILE HG23 H 11.287 -1.274 4.046 1.00 . A A . 49 ILE HG23 1 1 14 12554 1 1 49 ILE N N 10.933 -0.441 0.399 1.00 . A A . 49 ILE N 1 1 14 12555 1 1 49 ILE O O 14.203 -1.796 -0.185 1.00 . A A . 49 ILE O 1 1 14 12556 1 1 50 ASN C C 13.598 -1.811 -3.304 1.00 . A A . 50 ASN C 1 1 14 12557 1 1 50 ASN CA C 12.861 -2.790 -2.389 1.00 . A A . 50 ASN CA 1 1 14 12558 1 1 50 ASN CB C 11.789 -3.525 -3.232 1.00 . A A . 50 ASN CB 1 1 14 12559 1 1 50 ASN CG C 11.023 -4.616 -2.503 1.00 . A A . 50 ASN CG 1 1 14 12560 1 1 50 ASN H H 11.318 -1.875 -1.118 1.00 . A A . 50 ASN H 1 1 14 12561 1 1 50 ASN HA H 13.568 -3.515 -2.014 1.00 . A A . 50 ASN HA 1 1 14 12562 1 1 50 ASN HB2 H 11.065 -2.807 -3.585 1.00 . A A . 50 ASN HB2 1 1 14 12563 1 1 50 ASN HB3 H 12.289 -3.965 -4.079 1.00 . A A . 50 ASN HB3 1 1 14 12564 1 1 50 ASN HD21 H 9.436 -4.295 -3.647 1.00 . A A . 50 ASN HD21 1 1 14 12565 1 1 50 ASN HD22 H 9.268 -5.532 -2.463 1.00 . A A . 50 ASN HD22 1 1 14 12566 1 1 50 ASN N N 12.271 -2.079 -1.238 1.00 . A A . 50 ASN N 1 1 14 12567 1 1 50 ASN ND2 N 9.790 -4.833 -2.909 1.00 . A A . 50 ASN ND2 1 1 14 12568 1 1 50 ASN O O 14.692 -2.088 -3.786 1.00 . A A . 50 ASN O 1 1 14 12569 1 1 50 ASN OD1 O 11.527 -5.255 -1.593 1.00 . A A . 50 ASN OD1 1 1 14 12570 1 1 51 CYS C C 14.506 1.312 -3.709 1.00 . A A . 51 CYS C 1 1 14 12571 1 1 51 CYS CA C 13.561 0.355 -4.445 1.00 . A A . 51 CYS CA 1 1 14 12572 1 1 51 CYS CB C 12.430 1.131 -5.151 1.00 . A A . 51 CYS CB 1 1 14 12573 1 1 51 CYS H H 12.176 -0.440 -3.015 1.00 . A A . 51 CYS H 1 1 14 12574 1 1 51 CYS HA H 14.131 -0.186 -5.187 1.00 . A A . 51 CYS HA 1 1 14 12575 1 1 51 CYS HB2 H 11.828 1.640 -4.420 1.00 . A A . 51 CYS HB2 1 1 14 12576 1 1 51 CYS HB3 H 12.781 1.857 -5.875 1.00 . A A . 51 CYS HB3 1 1 14 12577 1 1 51 CYS N N 12.997 -0.640 -3.514 1.00 . A A . 51 CYS N 1 1 14 12578 1 1 51 CYS O O 15.243 2.076 -4.323 1.00 . A A . 51 CYS O 1 1 14 12579 1 1 51 CYS SG S 11.299 0.088 -6.063 1.00 . A A . 51 CYS SG 1 1 14 12580 1 1 52 ALA C C 16.805 1.715 -1.625 1.00 . A A . 52 ALA C 1 1 14 12581 1 1 52 ALA CA C 15.318 2.091 -1.542 1.00 . A A . 52 ALA CA 1 1 14 12582 1 1 52 ALA CB C 14.819 2.017 -0.109 1.00 . A A . 52 ALA CB 1 1 14 12583 1 1 52 ALA H H 13.925 0.529 -2.001 1.00 . A A . 52 ALA H 1 1 14 12584 1 1 52 ALA HA H 15.206 3.109 -1.886 1.00 . A A . 52 ALA HA 1 1 14 12585 1 1 52 ALA HB1 H 13.767 2.262 -0.097 1.00 . A A . 52 ALA HB1 1 1 14 12586 1 1 52 ALA HB2 H 15.361 2.715 0.510 1.00 . A A . 52 ALA HB2 1 1 14 12587 1 1 52 ALA HB3 H 14.959 1.013 0.264 1.00 . A A . 52 ALA HB3 1 1 14 12588 1 1 52 ALA N N 14.496 1.226 -2.389 1.00 . A A . 52 ALA N 1 1 14 12589 2 2 1 ALA C C 1.574 7.863 -4.797 1.00 . B B . 301 ALA C 1 1 14 12590 2 2 1 ALA CA C 2.905 8.359 -4.288 1.00 . B B . 301 ALA CA 1 1 14 12591 2 2 1 ALA CB C 3.245 7.633 -3.002 1.00 . B B . 301 ALA CB 1 1 14 12592 2 2 1 ALA HA H 3.675 8.151 -5.017 1.00 . B B . 301 ALA HA 1 1 14 12593 2 2 1 ALA HB1 H 4.211 7.949 -2.636 1.00 . B B . 301 ALA HB1 1 1 14 12594 2 2 1 ALA HB2 H 3.268 6.575 -3.224 1.00 . B B . 301 ALA HB2 1 1 14 12595 2 2 1 ALA HB3 H 2.478 7.827 -2.265 1.00 . B B . 301 ALA HB3 1 1 14 12596 2 2 1 ALA N N 2.849 9.840 -4.052 1.00 . B B . 301 ALA N 1 1 14 12597 2 2 1 ALA O O 1.487 6.820 -5.437 1.00 . B B . 301 ALA O 1 1 14 12598 2 2 2 ARG C C -1.321 7.160 -3.954 1.00 . B B . 302 ARG C 1 1 14 12599 2 2 2 ARG CA C -0.836 8.316 -4.830 1.00 . B B . 302 ARG CA 1 1 14 12600 2 2 2 ARG CB C -1.042 8.026 -6.330 1.00 . B B . 302 ARG CB 1 1 14 12601 2 2 2 ARG CD C -2.617 7.429 -8.188 1.00 . B B . 302 ARG CD 1 1 14 12602 2 2 2 ARG CG C -2.482 7.713 -6.704 1.00 . B B . 302 ARG CG 1 1 14 12603 2 2 2 ARG CZ C -2.428 8.658 -10.361 1.00 . B B . 302 ARG CZ 1 1 14 12604 2 2 2 ARG H H 0.757 9.474 -4.035 1.00 . B B . 302 ARG H 1 1 14 12605 2 2 2 ARG HA H -1.418 9.183 -4.551 1.00 . B B . 302 ARG HA 1 1 14 12606 2 2 2 ARG HB2 H -0.709 8.870 -6.916 1.00 . B B . 302 ARG HB2 1 1 14 12607 2 2 2 ARG HB3 H -0.433 7.176 -6.598 1.00 . B B . 302 ARG HB3 1 1 14 12608 2 2 2 ARG HD2 H -1.986 6.586 -8.436 1.00 . B B . 302 ARG HD2 1 1 14 12609 2 2 2 ARG HD3 H -3.648 7.180 -8.398 1.00 . B B . 302 ARG HD3 1 1 14 12610 2 2 2 ARG HE H -1.783 9.314 -8.548 1.00 . B B . 302 ARG HE 1 1 14 12611 2 2 2 ARG HG2 H -2.825 6.857 -6.139 1.00 . B B . 302 ARG HG2 1 1 14 12612 2 2 2 ARG HG3 H -3.083 8.571 -6.444 1.00 . B B . 302 ARG HG3 1 1 14 12613 2 2 2 ARG HH11 H -3.392 6.852 -10.546 1.00 . B B . 302 ARG HH11 1 1 14 12614 2 2 2 ARG HH12 H -3.246 7.713 -11.997 1.00 . B B . 302 ARG HH12 1 1 14 12615 2 2 2 ARG HH21 H -1.543 10.485 -10.573 1.00 . B B . 302 ARG HH21 1 1 14 12616 2 2 2 ARG HH22 H -2.143 9.831 -12.022 1.00 . B B . 302 ARG HH22 1 1 14 12617 2 2 2 ARG N N 0.539 8.643 -4.505 1.00 . B B . 302 ARG N 1 1 14 12618 2 2 2 ARG NE N -2.226 8.575 -9.028 1.00 . B B . 302 ARG NE 1 1 14 12619 2 2 2 ARG NH1 N -3.057 7.674 -11.011 1.00 . B B . 302 ARG NH1 1 1 14 12620 2 2 2 ARG NH2 N -2.011 9.727 -11.032 1.00 . B B . 302 ARG NH2 1 1 14 12621 2 2 2 ARG O O -0.913 5.999 -4.113 1.00 . B B . 302 ARG O 1 1 14 12622 2 2 3 THR C C -4.042 6.081 -2.535 1.00 . B B . 303 THR C 1 1 14 12623 2 2 3 THR CA C -2.664 6.505 -2.125 1.00 . B B . 303 THR CA 1 1 14 12624 2 2 3 THR CB C -2.611 6.976 -0.687 1.00 . B B . 303 THR CB 1 1 14 12625 2 2 3 THR CG2 C -1.189 6.876 -0.213 1.00 . B B . 303 THR CG2 1 1 14 12626 2 2 3 THR H H -2.432 8.406 -2.845 1.00 . B B . 303 THR H 1 1 14 12627 2 2 3 THR HA H -2.013 5.645 -2.219 1.00 . B B . 303 THR HA 1 1 14 12628 2 2 3 THR HB H -3.239 6.348 -0.072 1.00 . B B . 303 THR HB 1 1 14 12629 2 2 3 THR HG1 H -3.447 8.535 0.259 1.00 . B B . 303 THR HG1 1 1 14 12630 2 2 3 THR HG21 H -1.104 7.045 0.850 1.00 . B B . 303 THR HG21 1 1 14 12631 2 2 3 THR HG22 H -0.572 7.557 -0.780 1.00 . B B . 303 THR HG22 1 1 14 12632 2 2 3 THR HG23 H -0.888 5.870 -0.479 1.00 . B B . 303 THR HG23 1 1 14 12633 2 2 3 THR N N -2.139 7.484 -3.003 1.00 . B B . 303 THR N 1 1 14 12634 2 2 3 THR O O -4.684 6.722 -3.387 1.00 . B B . 303 THR O 1 1 14 12635 2 2 3 THR OG1 O -3.087 8.338 -0.618 1.00 . B B . 303 THR OG1 1 1 14 12636 2 2 4 . C C -6.355 3.647 -1.264 1.00 . B B . 304 M3L C 1 1 14 12637 2 2 4 . CA C -5.703 4.419 -2.370 1.00 . B B . 304 M3L CA 1 1 14 12638 2 2 4 . CB C -5.330 3.536 -3.550 1.00 . B B . 304 M3L CB 1 1 14 12639 2 2 4 . CD C -5.686 1.833 -5.216 1.00 . B B . 304 M3L CD 1 1 14 12640 2 2 4 . CE C -6.601 0.804 -5.760 1.00 . B B . 304 M3L CE 1 1 14 12641 2 2 4 . CG C -6.325 2.590 -4.092 1.00 . B B . 304 M3L CG 1 1 14 12642 2 2 4 . CM1 C -4.815 -0.691 -6.593 1.00 . B B . 304 M3L CM1 1 1 14 12643 2 2 4 . CM2 C -5.703 1.062 -8.040 1.00 . B B . 304 M3L CM2 1 1 14 12644 2 2 4 . CM3 C -7.000 -0.916 -7.443 1.00 . B B . 304 M3L CM3 1 1 14 12645 2 2 4 . H H -4.015 4.616 -1.191 1.00 . B B . 304 M3L H 1 1 14 12646 2 2 4 . HA H -6.370 5.183 -2.737 1.00 . B B . 304 M3L HA 1 1 14 12647 2 2 4 . HB2 H -4.378 3.051 -3.437 1.00 . B B . 304 M3L HB2 1 1 14 12648 2 2 4 . HB3 H -5.184 4.238 -4.339 1.00 . B B . 304 M3L HB3 1 1 14 12649 2 2 4 . HD2 H -4.800 1.346 -4.831 1.00 . B B . 304 M3L HD2 1 1 14 12650 2 2 4 . HD3 H -5.387 2.508 -6.003 1.00 . B B . 304 M3L HD3 1 1 14 12651 2 2 4 . HE2 H -7.531 1.290 -6.012 1.00 . B B . 304 M3L HE2 1 1 14 12652 2 2 4 . HE3 H -6.736 0.166 -4.902 1.00 . B B . 304 M3L HE3 1 1 14 12653 2 2 4 . HG2 H -7.192 3.120 -4.455 1.00 . B B . 304 M3L HG2 1 1 14 12654 2 2 4 . HG3 H -6.590 1.899 -3.305 1.00 . B B . 304 M3L HG3 1 1 14 12655 2 2 4 . HM11 H -4.041 -0.035 -6.218 1.00 . B B . 304 M3L HM11 1 1 14 12656 2 2 4 . HM12 H -4.355 -1.198 -7.433 1.00 . B B . 304 M3L HM12 1 1 14 12657 2 2 4 . HM13 H -4.990 -1.437 -5.830 1.00 . B B . 304 M3L HM13 1 1 14 12658 2 2 4 . HM21 H -5.544 0.605 -9.005 1.00 . B B . 304 M3L HM21 1 1 14 12659 2 2 4 . HM22 H -4.803 1.627 -7.833 1.00 . B B . 304 M3L HM22 1 1 14 12660 2 2 4 . HM23 H -6.476 1.805 -8.174 1.00 . B B . 304 M3L HM23 1 1 14 12661 2 2 4 . HM31 H -7.964 -0.811 -6.967 1.00 . B B . 304 M3L HM31 1 1 14 12662 2 2 4 . HM32 H -6.690 -1.936 -7.274 1.00 . B B . 304 M3L HM32 1 1 14 12663 2 2 4 . HM33 H -7.175 -0.833 -8.504 1.00 . B B . 304 M3L HM33 1 1 14 12664 2 2 4 . N N -4.503 5.023 -1.942 1.00 . B B . 304 M3L N 1 1 14 12665 2 2 4 . NZ N -6.027 0.060 -6.955 1.00 . B B . 304 M3L NZ 1 1 14 12666 2 2 4 . O O -5.701 3.246 -0.299 1.00 . B B . 304 M3L O 1 1 14 12667 2 2 5 GLN C C -9.647 2.261 -1.267 1.00 . B B . 305 GLN C 1 1 14 12668 2 2 5 GLN CA C -8.457 2.768 -0.497 1.00 . B B . 305 GLN CA 1 1 14 12669 2 2 5 GLN CB C -8.918 3.720 0.624 1.00 . B B . 305 GLN CB 1 1 14 12670 2 2 5 GLN CD C -10.270 4.061 2.728 1.00 . B B . 305 GLN CD 1 1 14 12671 2 2 5 GLN CG C -9.824 3.078 1.662 1.00 . B B . 305 GLN CG 1 1 14 12672 2 2 5 GLN H H -8.061 3.781 -2.239 1.00 . B B . 305 GLN H 1 1 14 12673 2 2 5 GLN HA H -7.915 1.938 -0.071 1.00 . B B . 305 GLN HA 1 1 14 12674 2 2 5 GLN HB2 H -8.043 4.114 1.120 1.00 . B B . 305 GLN HB2 1 1 14 12675 2 2 5 GLN HB3 H -9.452 4.546 0.174 1.00 . B B . 305 GLN HB3 1 1 14 12676 2 2 5 GLN HE21 H -11.852 4.580 1.647 1.00 . B B . 305 GLN HE21 1 1 14 12677 2 2 5 GLN HE22 H -11.677 5.368 3.170 1.00 . B B . 305 GLN HE22 1 1 14 12678 2 2 5 GLN HG2 H -10.698 2.673 1.175 1.00 . B B . 305 GLN HG2 1 1 14 12679 2 2 5 GLN HG3 H -9.273 2.278 2.136 1.00 . B B . 305 GLN HG3 1 1 14 12680 2 2 5 GLN N N -7.633 3.455 -1.422 1.00 . B B . 305 GLN N 1 1 14 12681 2 2 5 GLN NE2 N -11.373 4.733 2.486 1.00 . B B . 305 GLN NE2 1 1 14 12682 2 2 5 GLN O O -10.459 3.045 -1.753 1.00 . B B . 305 GLN O 1 1 14 12683 2 2 5 GLN OE1 O -9.634 4.208 3.757 1.00 . B B . 305 GLN OE1 1 1 14 12684 2 2 6 THR C C -11.536 -0.544 -1.157 1.00 . B B . 306 THR C 1 1 14 12685 2 2 6 THR CA C -10.812 0.391 -2.105 1.00 . B B . 306 THR CA 1 1 14 12686 2 2 6 THR CB C -10.424 -0.267 -3.489 1.00 . B B . 306 THR CB 1 1 14 12687 2 2 6 THR CG2 C -9.211 -1.183 -3.387 1.00 . B B . 306 THR CG2 1 1 14 12688 2 2 6 THR H H -9.015 0.421 -1.056 1.00 . B B . 306 THR H 1 1 14 12689 2 2 6 THR HA H -11.486 1.209 -2.294 1.00 . B B . 306 THR HA 1 1 14 12690 2 2 6 THR HB H -10.194 0.546 -4.164 1.00 . B B . 306 THR HB 1 1 14 12691 2 2 6 THR HG1 H -11.988 -0.452 -4.719 1.00 . B B . 306 THR HG1 1 1 14 12692 2 2 6 THR HG21 H -8.919 -1.591 -4.343 1.00 . B B . 306 THR HG21 1 1 14 12693 2 2 6 THR HG22 H -9.408 -1.989 -2.699 1.00 . B B . 306 THR HG22 1 1 14 12694 2 2 6 THR HG23 H -8.360 -0.622 -3.015 1.00 . B B . 306 THR HG23 1 1 14 12695 2 2 6 THR N N -9.716 0.989 -1.431 1.00 . B B . 306 THR N 1 1 14 12696 2 2 6 THR O O -10.897 -1.335 -0.441 1.00 . B B . 306 THR O 1 1 14 12697 2 2 6 THR OG1 O -11.528 -0.973 -4.050 1.00 . B B . 306 THR OG1 1 1 14 12698 2 2 7 ALA C C -14.113 -2.440 -0.789 1.00 . B B . 307 ALA C 1 1 14 12699 2 2 7 ALA CA C -13.655 -1.139 -0.167 1.00 . B B . 307 ALA CA 1 1 14 12700 2 2 7 ALA CB C -14.848 -0.302 0.309 1.00 . B B . 307 ALA CB 1 1 14 12701 2 2 7 ALA H H -13.303 0.213 -1.706 1.00 . B B . 307 ALA H 1 1 14 12702 2 2 7 ALA HA H -13.046 -1.369 0.695 1.00 . B B . 307 ALA HA 1 1 14 12703 2 2 7 ALA HB1 H -15.507 -0.092 -0.521 1.00 . B B . 307 ALA HB1 1 1 14 12704 2 2 7 ALA HB2 H -14.504 0.629 0.745 1.00 . B B . 307 ALA HB2 1 1 14 12705 2 2 7 ALA HB3 H -15.389 -0.840 1.074 1.00 . B B . 307 ALA HB3 1 1 14 12706 2 2 7 ALA N N -12.850 -0.396 -1.088 1.00 . B B . 307 ALA N 1 1 14 12707 2 2 7 ALA O O -14.703 -2.454 -1.876 1.00 . B B . 307 ALA O 1 1 14 12708 2 2 8 ARG C C -15.119 -5.481 0.401 1.00 . B B . 308 ARG C 1 1 14 12709 2 2 8 ARG CA C -14.200 -4.816 -0.605 1.00 . B B . 308 ARG CA 1 1 14 12710 2 2 8 ARG CB C -12.941 -5.671 -0.819 1.00 . B B . 308 ARG CB 1 1 14 12711 2 2 8 ARG CD C -10.712 -5.897 -2.013 1.00 . B B . 308 ARG CD 1 1 14 12712 2 2 8 ARG CG C -11.837 -4.961 -1.612 1.00 . B B . 308 ARG CG 1 1 14 12713 2 2 8 ARG CZ C -10.523 -7.417 -3.993 1.00 . B B . 308 ARG CZ 1 1 14 12714 2 2 8 ARG H H -13.419 -3.447 0.768 1.00 . B B . 308 ARG H 1 1 14 12715 2 2 8 ARG HA H -14.721 -4.710 -1.546 1.00 . B B . 308 ARG HA 1 1 14 12716 2 2 8 ARG HB2 H -12.544 -5.948 0.146 1.00 . B B . 308 ARG HB2 1 1 14 12717 2 2 8 ARG HB3 H -13.221 -6.566 -1.355 1.00 . B B . 308 ARG HB3 1 1 14 12718 2 2 8 ARG HD2 H -9.954 -5.316 -2.517 1.00 . B B . 308 ARG HD2 1 1 14 12719 2 2 8 ARG HD3 H -10.304 -6.348 -1.122 1.00 . B B . 308 ARG HD3 1 1 14 12720 2 2 8 ARG HE H -12.060 -7.335 -2.686 1.00 . B B . 308 ARG HE 1 1 14 12721 2 2 8 ARG HG2 H -12.236 -4.492 -2.496 1.00 . B B . 308 ARG HG2 1 1 14 12722 2 2 8 ARG HG3 H -11.420 -4.195 -0.974 1.00 . B B . 308 ARG HG3 1 1 14 12723 2 2 8 ARG HH11 H -8.899 -6.164 -3.819 1.00 . B B . 308 ARG HH11 1 1 14 12724 2 2 8 ARG HH12 H -8.851 -7.183 -5.174 1.00 . B B . 308 ARG HH12 1 1 14 12725 2 2 8 ARG HH21 H -11.950 -8.795 -4.511 1.00 . B B . 308 ARG HH21 1 1 14 12726 2 2 8 ARG HH22 H -10.590 -8.761 -5.532 1.00 . B B . 308 ARG HH22 1 1 14 12727 2 2 8 ARG N N -13.848 -3.517 -0.116 1.00 . B B . 308 ARG N 1 1 14 12728 2 2 8 ARG NE N -11.182 -6.958 -2.916 1.00 . B B . 308 ARG NE 1 1 14 12729 2 2 8 ARG NH1 N -9.339 -6.894 -4.342 1.00 . B B . 308 ARG NH1 1 1 14 12730 2 2 8 ARG NH2 N -11.058 -8.387 -4.726 1.00 . B B . 308 ARG NH2 1 1 14 12731 2 2 8 ARG O O -14.705 -5.782 1.508 1.00 . B B . 308 ARG O 1 1 14 12732 2 2 9 LYS C C -16.912 -7.449 1.743 1.00 . B B . 309 LYS C 1 1 14 12733 2 2 9 LYS CA C -17.430 -6.278 0.854 1.00 . B B . 309 LYS CA 1 1 14 12734 2 2 9 LYS CB C -18.551 -6.787 -0.065 1.00 . B B . 309 LYS CB 1 1 14 12735 2 2 9 LYS CD C -20.786 -7.866 -0.368 1.00 . B B . 309 LYS CD 1 1 14 12736 2 2 9 LYS CE C -22.077 -8.349 0.291 1.00 . B B . 309 LYS CE 1 1 14 12737 2 2 9 LYS CG C -19.785 -7.330 0.644 1.00 . B B . 309 LYS CG 1 1 14 12738 2 2 9 LYS H H -16.614 -5.381 -0.900 1.00 . B B . 309 LYS H 1 1 14 12739 2 2 9 LYS HA H -17.837 -5.507 1.493 1.00 . B B . 309 LYS HA 1 1 14 12740 2 2 9 LYS HB2 H -18.886 -5.978 -0.695 1.00 . B B . 309 LYS HB2 1 1 14 12741 2 2 9 LYS HB3 H -18.165 -7.565 -0.707 1.00 . B B . 309 LYS HB3 1 1 14 12742 2 2 9 LYS HD2 H -21.011 -7.080 -1.073 1.00 . B B . 309 LYS HD2 1 1 14 12743 2 2 9 LYS HD3 H -20.336 -8.693 -0.900 1.00 . B B . 309 LYS HD3 1 1 14 12744 2 2 9 LYS HE2 H -22.741 -8.730 -0.473 1.00 . B B . 309 LYS HE2 1 1 14 12745 2 2 9 LYS HE3 H -21.860 -9.144 0.994 1.00 . B B . 309 LYS HE3 1 1 14 12746 2 2 9 LYS HG2 H -19.494 -8.124 1.316 1.00 . B B . 309 LYS HG2 1 1 14 12747 2 2 9 LYS HG3 H -20.247 -6.530 1.205 1.00 . B B . 309 LYS HG3 1 1 14 12748 2 2 9 LYS HZ1 H -22.224 -6.864 1.767 1.00 . B B . 309 LYS HZ1 1 1 14 12749 2 2 9 LYS HZ2 H -23.675 -7.618 1.405 1.00 . B B . 309 LYS HZ2 1 1 14 12750 2 2 9 LYS HZ3 H -23.052 -6.492 0.350 1.00 . B B . 309 LYS HZ3 1 1 14 12751 2 2 9 LYS N N -16.368 -5.677 0.003 1.00 . B B . 309 LYS N 1 1 14 12752 2 2 9 LYS NZ N -22.788 -7.264 0.993 1.00 . B B . 309 LYS NZ 1 1 14 12753 3 3 1 ZN ZN ZN 9.316 -0.030 -4.921 1.00 . C A . 53 ZN ZN 1 1 14 12754 4 3 1 ZN ZN ZN 0.337 -5.722 1.207 1.00 . D A . 54 ZN ZN 1 1 15 12755 1 1 1 SER C C -4.867 -8.566 -1.647 1.00 . A A . 1 SER C 1 1 15 12756 1 1 1 SER CA C -6.249 -8.662 -2.322 1.00 . A A . 1 SER CA 1 1 15 12757 1 1 1 SER CB C -7.192 -9.528 -1.470 1.00 . A A . 1 SER CB 1 1 15 12758 1 1 1 SER HA H -6.666 -7.668 -2.417 1.00 . A A . 1 SER HA 1 1 15 12759 1 1 1 SER HB2 H -6.788 -10.524 -1.392 1.00 . A A . 1 SER HB2 1 1 15 12760 1 1 1 SER HB3 H -7.267 -9.103 -0.479 1.00 . A A . 1 SER HB3 1 1 15 12761 1 1 1 SER HG H -8.440 -9.988 -2.919 1.00 . A A . 1 SER HG 1 1 15 12762 1 1 1 SER N N -6.127 -9.244 -3.687 1.00 . A A . 1 SER N 1 1 15 12763 1 1 1 SER O O -4.713 -7.979 -0.539 1.00 . A A . 1 SER O 1 1 15 12764 1 1 1 SER OG O -8.499 -9.584 -2.042 1.00 . A A . 1 SER OG 1 1 15 12765 1 1 2 VAL C C -1.694 -8.137 -2.634 1.00 . A A . 2 VAL C 1 1 15 12766 1 1 2 VAL CA C -2.513 -9.113 -1.812 1.00 . A A . 2 VAL CA 1 1 15 12767 1 1 2 VAL CB C -1.851 -10.524 -1.888 1.00 . A A . 2 VAL CB 1 1 15 12768 1 1 2 VAL CG1 C -0.478 -10.538 -1.199 1.00 . A A . 2 VAL CG1 1 1 15 12769 1 1 2 VAL CG2 C -2.753 -11.582 -1.290 1.00 . A A . 2 VAL CG2 1 1 15 12770 1 1 2 VAL H H -4.033 -9.490 -3.209 1.00 . A A . 2 VAL H 1 1 15 12771 1 1 2 VAL HA H -2.557 -8.787 -0.782 1.00 . A A . 2 VAL HA 1 1 15 12772 1 1 2 VAL HB H -1.705 -10.743 -2.935 1.00 . A A . 2 VAL HB 1 1 15 12773 1 1 2 VAL HG11 H -0.602 -10.268 -0.161 1.00 . A A . 2 VAL HG11 1 1 15 12774 1 1 2 VAL HG12 H 0.171 -9.818 -1.674 1.00 . A A . 2 VAL HG12 1 1 15 12775 1 1 2 VAL HG13 H -0.046 -11.528 -1.266 1.00 . A A . 2 VAL HG13 1 1 15 12776 1 1 2 VAL HG21 H -2.973 -11.323 -0.265 1.00 . A A . 2 VAL HG21 1 1 15 12777 1 1 2 VAL HG22 H -2.257 -12.541 -1.323 1.00 . A A . 2 VAL HG22 1 1 15 12778 1 1 2 VAL HG23 H -3.669 -11.631 -1.862 1.00 . A A . 2 VAL HG23 1 1 15 12779 1 1 2 VAL N N -3.861 -9.105 -2.322 1.00 . A A . 2 VAL N 1 1 15 12780 1 1 2 VAL O O -1.890 -8.009 -3.843 1.00 . A A . 2 VAL O 1 1 15 12781 1 1 3 CYS C C 1.390 -7.098 -2.748 1.00 . A A . 3 CYS C 1 1 15 12782 1 1 3 CYS CA C 0.008 -6.463 -2.596 1.00 . A A . 3 CYS CA 1 1 15 12783 1 1 3 CYS CB C 0.152 -5.292 -1.680 1.00 . A A . 3 CYS CB 1 1 15 12784 1 1 3 CYS H H -0.668 -7.652 -1.032 1.00 . A A . 3 CYS H 1 1 15 12785 1 1 3 CYS HA H -0.412 -6.163 -3.542 1.00 . A A . 3 CYS HA 1 1 15 12786 1 1 3 CYS HB2 H 0.425 -4.432 -2.271 1.00 . A A . 3 CYS HB2 1 1 15 12787 1 1 3 CYS HB3 H -0.779 -5.113 -1.164 1.00 . A A . 3 CYS HB3 1 1 15 12788 1 1 3 CYS N N -0.817 -7.452 -1.977 1.00 . A A . 3 CYS N 1 1 15 12789 1 1 3 CYS O O 1.595 -8.214 -2.285 1.00 . A A . 3 CYS O 1 1 15 12790 1 1 3 CYS SG S 1.421 -5.571 -0.448 1.00 . A A . 3 CYS SG 1 1 15 12791 1 1 4 ALA C C 4.654 -6.521 -2.481 1.00 . A A . 4 ALA C 1 1 15 12792 1 1 4 ALA CA C 3.622 -7.083 -3.454 1.00 . A A . 4 ALA CA 1 1 15 12793 1 1 4 ALA CB C 4.142 -7.010 -4.846 1.00 . A A . 4 ALA CB 1 1 15 12794 1 1 4 ALA H H 2.026 -5.538 -3.643 1.00 . A A . 4 ALA H 1 1 15 12795 1 1 4 ALA HA H 3.469 -8.128 -3.216 1.00 . A A . 4 ALA HA 1 1 15 12796 1 1 4 ALA HB1 H 4.275 -5.959 -5.059 1.00 . A A . 4 ALA HB1 1 1 15 12797 1 1 4 ALA HB2 H 3.421 -7.437 -5.528 1.00 . A A . 4 ALA HB2 1 1 15 12798 1 1 4 ALA HB3 H 5.097 -7.509 -4.889 1.00 . A A . 4 ALA HB3 1 1 15 12799 1 1 4 ALA N N 2.336 -6.429 -3.365 1.00 . A A . 4 ALA N 1 1 15 12800 1 1 4 ALA O O 5.565 -5.800 -2.853 1.00 . A A . 4 ALA O 1 1 15 12801 1 1 5 ALA C C 5.980 -8.008 0.295 1.00 . A A . 5 ALA C 1 1 15 12802 1 1 5 ALA CA C 5.484 -6.649 -0.210 1.00 . A A . 5 ALA CA 1 1 15 12803 1 1 5 ALA CB C 5.000 -5.766 0.944 1.00 . A A . 5 ALA CB 1 1 15 12804 1 1 5 ALA H H 3.493 -6.712 -0.991 1.00 . A A . 5 ALA H 1 1 15 12805 1 1 5 ALA HA H 6.313 -6.151 -0.689 1.00 . A A . 5 ALA HA 1 1 15 12806 1 1 5 ALA HB1 H 4.203 -6.243 1.494 1.00 . A A . 5 ALA HB1 1 1 15 12807 1 1 5 ALA HB2 H 4.631 -4.836 0.537 1.00 . A A . 5 ALA HB2 1 1 15 12808 1 1 5 ALA HB3 H 5.824 -5.548 1.606 1.00 . A A . 5 ALA HB3 1 1 15 12809 1 1 5 ALA N N 4.432 -6.788 -1.216 1.00 . A A . 5 ALA N 1 1 15 12810 1 1 5 ALA O O 5.191 -8.944 0.442 1.00 . A A . 5 ALA O 1 1 15 12811 1 1 6 GLN C C 7.337 -10.064 2.114 1.00 . A A . 6 GLN C 1 1 15 12812 1 1 6 GLN CA C 8.040 -9.292 0.988 1.00 . A A . 6 GLN CA 1 1 15 12813 1 1 6 GLN CB C 9.411 -8.877 1.509 1.00 . A A . 6 GLN CB 1 1 15 12814 1 1 6 GLN CD C 11.579 -7.675 1.160 1.00 . A A . 6 GLN CD 1 1 15 12815 1 1 6 GLN CG C 10.268 -8.109 0.531 1.00 . A A . 6 GLN CG 1 1 15 12816 1 1 6 GLN H H 7.834 -7.276 0.364 1.00 . A A . 6 GLN H 1 1 15 12817 1 1 6 GLN HA H 8.196 -9.947 0.148 1.00 . A A . 6 GLN HA 1 1 15 12818 1 1 6 GLN HB2 H 9.259 -8.264 2.384 1.00 . A A . 6 GLN HB2 1 1 15 12819 1 1 6 GLN HB3 H 9.936 -9.778 1.800 1.00 . A A . 6 GLN HB3 1 1 15 12820 1 1 6 GLN HE21 H 12.459 -9.364 0.602 1.00 . A A . 6 GLN HE21 1 1 15 12821 1 1 6 GLN HE22 H 13.433 -8.246 1.473 1.00 . A A . 6 GLN HE22 1 1 15 12822 1 1 6 GLN HG2 H 10.471 -8.719 -0.336 1.00 . A A . 6 GLN HG2 1 1 15 12823 1 1 6 GLN HG3 H 9.729 -7.227 0.220 1.00 . A A . 6 GLN HG3 1 1 15 12824 1 1 6 GLN N N 7.300 -8.078 0.543 1.00 . A A . 6 GLN N 1 1 15 12825 1 1 6 GLN NE2 N 12.580 -8.507 1.064 1.00 . A A . 6 GLN NE2 1 1 15 12826 1 1 6 GLN O O 7.159 -11.274 2.016 1.00 . A A . 6 GLN O 1 1 15 12827 1 1 6 GLN OE1 O 11.679 -6.594 1.743 1.00 . A A . 6 GLN OE1 1 1 15 12828 1 1 7 ASN C C 4.918 -9.473 4.443 1.00 . A A . 7 ASN C 1 1 15 12829 1 1 7 ASN CA C 6.296 -10.053 4.270 1.00 . A A . 7 ASN CA 1 1 15 12830 1 1 7 ASN CB C 7.122 -9.970 5.579 1.00 . A A . 7 ASN CB 1 1 15 12831 1 1 7 ASN CG C 6.523 -10.785 6.739 1.00 . A A . 7 ASN CG 1 1 15 12832 1 1 7 ASN H H 7.160 -8.426 3.188 1.00 . A A . 7 ASN H 1 1 15 12833 1 1 7 ASN HA H 6.186 -11.087 3.981 1.00 . A A . 7 ASN HA 1 1 15 12834 1 1 7 ASN HB2 H 8.118 -10.336 5.384 1.00 . A A . 7 ASN HB2 1 1 15 12835 1 1 7 ASN HB3 H 7.176 -8.936 5.880 1.00 . A A . 7 ASN HB3 1 1 15 12836 1 1 7 ASN HD21 H 7.589 -12.364 6.218 1.00 . A A . 7 ASN HD21 1 1 15 12837 1 1 7 ASN HD22 H 6.552 -12.559 7.593 1.00 . A A . 7 ASN HD22 1 1 15 12838 1 1 7 ASN N N 6.963 -9.383 3.167 1.00 . A A . 7 ASN N 1 1 15 12839 1 1 7 ASN ND2 N 6.931 -12.022 6.862 1.00 . A A . 7 ASN ND2 1 1 15 12840 1 1 7 ASN O O 4.640 -8.735 5.381 1.00 . A A . 7 ASN O 1 1 15 12841 1 1 7 ASN OD1 O 5.725 -10.288 7.527 1.00 . A A . 7 ASN OD1 1 1 15 12842 1 1 8 CYS C C 1.733 -10.274 3.945 1.00 . A A . 8 CYS C 1 1 15 12843 1 1 8 CYS CA C 2.764 -9.203 3.523 1.00 . A A . 8 CYS CA 1 1 15 12844 1 1 8 CYS CB C 2.330 -8.502 2.237 1.00 . A A . 8 CYS CB 1 1 15 12845 1 1 8 CYS H H 4.381 -10.170 2.648 1.00 . A A . 8 CYS H 1 1 15 12846 1 1 8 CYS HA H 2.768 -8.458 4.304 1.00 . A A . 8 CYS HA 1 1 15 12847 1 1 8 CYS HB2 H 2.985 -7.681 1.999 1.00 . A A . 8 CYS HB2 1 1 15 12848 1 1 8 CYS HB3 H 2.351 -9.216 1.426 1.00 . A A . 8 CYS HB3 1 1 15 12849 1 1 8 CYS N N 4.100 -9.682 3.454 1.00 . A A . 8 CYS N 1 1 15 12850 1 1 8 CYS O O 1.890 -11.462 3.666 1.00 . A A . 8 CYS O 1 1 15 12851 1 1 8 CYS SG S 0.650 -7.889 2.363 1.00 . A A . 8 CYS SG 1 1 15 12852 1 1 9 GLN C C -1.710 -9.946 4.267 1.00 . A A . 9 GLN C 1 1 15 12853 1 1 9 GLN CA C -0.472 -10.574 4.912 1.00 . A A . 9 GLN CA 1 1 15 12854 1 1 9 GLN CB C -0.658 -10.812 6.420 1.00 . A A . 9 GLN CB 1 1 15 12855 1 1 9 GLN CD C 0.117 -12.075 8.471 1.00 . A A . 9 GLN CD 1 1 15 12856 1 1 9 GLN CG C 0.397 -11.737 7.023 1.00 . A A . 9 GLN CG 1 1 15 12857 1 1 9 GLN H H 0.925 -8.856 4.711 1.00 . A A . 9 GLN H 1 1 15 12858 1 1 9 GLN HA H -0.314 -11.526 4.420 1.00 . A A . 9 GLN HA 1 1 15 12859 1 1 9 GLN HB2 H -0.630 -9.864 6.938 1.00 . A A . 9 GLN HB2 1 1 15 12860 1 1 9 GLN HB3 H -1.631 -11.258 6.576 1.00 . A A . 9 GLN HB3 1 1 15 12861 1 1 9 GLN HE21 H -0.997 -13.617 7.918 1.00 . A A . 9 GLN HE21 1 1 15 12862 1 1 9 GLN HE22 H -0.857 -13.370 9.625 1.00 . A A . 9 GLN HE22 1 1 15 12863 1 1 9 GLN HG2 H 0.430 -12.651 6.451 1.00 . A A . 9 GLN HG2 1 1 15 12864 1 1 9 GLN HG3 H 1.361 -11.254 6.958 1.00 . A A . 9 GLN HG3 1 1 15 12865 1 1 9 GLN N N 0.694 -9.801 4.590 1.00 . A A . 9 GLN N 1 1 15 12866 1 1 9 GLN NE2 N -0.651 -13.124 8.695 1.00 . A A . 9 GLN NE2 1 1 15 12867 1 1 9 GLN O O -1.810 -8.712 4.149 1.00 . A A . 9 GLN O 1 1 15 12868 1 1 9 GLN OE1 O 0.573 -11.395 9.375 1.00 . A A . 9 GLN OE1 1 1 15 12869 1 1 10 ARG C C -4.904 -10.017 4.226 1.00 . A A . 10 ARG C 1 1 15 12870 1 1 10 ARG CA C -3.844 -10.403 3.178 1.00 . A A . 10 ARG CA 1 1 15 12871 1 1 10 ARG CB C -4.356 -11.608 2.364 1.00 . A A . 10 ARG CB 1 1 15 12872 1 1 10 ARG CD C -6.209 -12.610 0.944 1.00 . A A . 10 ARG CD 1 1 15 12873 1 1 10 ARG CG C -5.626 -11.337 1.594 1.00 . A A . 10 ARG CG 1 1 15 12874 1 1 10 ARG CZ C -5.782 -13.883 -1.154 1.00 . A A . 10 ARG CZ 1 1 15 12875 1 1 10 ARG H H -2.657 -11.731 4.074 1.00 . A A . 10 ARG H 1 1 15 12876 1 1 10 ARG HA H -3.632 -9.579 2.509 1.00 . A A . 10 ARG HA 1 1 15 12877 1 1 10 ARG HB2 H -3.597 -11.928 1.666 1.00 . A A . 10 ARG HB2 1 1 15 12878 1 1 10 ARG HB3 H -4.542 -12.421 3.047 1.00 . A A . 10 ARG HB3 1 1 15 12879 1 1 10 ARG HD2 H -6.364 -13.352 1.716 1.00 . A A . 10 ARG HD2 1 1 15 12880 1 1 10 ARG HD3 H -7.164 -12.371 0.496 1.00 . A A . 10 ARG HD3 1 1 15 12881 1 1 10 ARG HE H -4.374 -13.076 0.073 1.00 . A A . 10 ARG HE 1 1 15 12882 1 1 10 ARG HG2 H -6.359 -10.908 2.262 1.00 . A A . 10 ARG HG2 1 1 15 12883 1 1 10 ARG HG3 H -5.385 -10.623 0.819 1.00 . A A . 10 ARG HG3 1 1 15 12884 1 1 10 ARG HH11 H -7.797 -13.697 -0.738 1.00 . A A . 10 ARG HH11 1 1 15 12885 1 1 10 ARG HH12 H -7.440 -14.561 -2.143 1.00 . A A . 10 ARG HH12 1 1 15 12886 1 1 10 ARG HH21 H -3.920 -14.318 -1.934 1.00 . A A . 10 ARG HH21 1 1 15 12887 1 1 10 ARG HH22 H -5.211 -14.880 -2.844 1.00 . A A . 10 ARG HH22 1 1 15 12888 1 1 10 ARG N N -2.640 -10.785 3.863 1.00 . A A . 10 ARG N 1 1 15 12889 1 1 10 ARG NE N -5.334 -13.200 -0.078 1.00 . A A . 10 ARG NE 1 1 15 12890 1 1 10 ARG NH1 N -7.085 -14.052 -1.353 1.00 . A A . 10 ARG NH1 1 1 15 12891 1 1 10 ARG NH2 N -4.920 -14.392 -2.016 1.00 . A A . 10 ARG NH2 1 1 15 12892 1 1 10 ARG O O -5.375 -10.868 4.964 1.00 . A A . 10 ARG O 1 1 15 12893 1 1 11 PRO C C -7.700 -8.616 4.905 1.00 . A A . 11 PRO C 1 1 15 12894 1 1 11 PRO CA C -6.237 -8.282 5.296 1.00 . A A . 11 PRO CA 1 1 15 12895 1 1 11 PRO CB C -6.002 -6.772 5.334 1.00 . A A . 11 PRO CB 1 1 15 12896 1 1 11 PRO CD C -4.707 -7.645 3.503 1.00 . A A . 11 PRO CD 1 1 15 12897 1 1 11 PRO CG C -5.429 -6.427 3.995 1.00 . A A . 11 PRO CG 1 1 15 12898 1 1 11 PRO HA H -6.031 -8.705 6.270 1.00 . A A . 11 PRO HA 1 1 15 12899 1 1 11 PRO HB2 H -6.938 -6.266 5.513 1.00 . A A . 11 PRO HB2 1 1 15 12900 1 1 11 PRO HB3 H -5.305 -6.543 6.125 1.00 . A A . 11 PRO HB3 1 1 15 12901 1 1 11 PRO HD2 H -4.909 -7.814 2.456 1.00 . A A . 11 PRO HD2 1 1 15 12902 1 1 11 PRO HD3 H -3.643 -7.544 3.665 1.00 . A A . 11 PRO HD3 1 1 15 12903 1 1 11 PRO HG2 H -6.217 -6.169 3.302 1.00 . A A . 11 PRO HG2 1 1 15 12904 1 1 11 PRO HG3 H -4.744 -5.594 4.087 1.00 . A A . 11 PRO HG3 1 1 15 12905 1 1 11 PRO N N -5.256 -8.741 4.317 1.00 . A A . 11 PRO N 1 1 15 12906 1 1 11 PRO O O -8.427 -9.244 5.685 1.00 . A A . 11 PRO O 1 1 15 12907 1 1 12 CYS C C -10.599 -7.865 4.051 1.00 . A A . 12 CYS C 1 1 15 12908 1 1 12 CYS CA C -9.478 -8.399 3.152 1.00 . A A . 12 CYS CA 1 1 15 12909 1 1 12 CYS CB C -9.709 -9.859 2.807 1.00 . A A . 12 CYS CB 1 1 15 12910 1 1 12 CYS H H -7.475 -7.687 3.140 1.00 . A A . 12 CYS H 1 1 15 12911 1 1 12 CYS HA H -9.501 -7.821 2.238 1.00 . A A . 12 CYS HA 1 1 15 12912 1 1 12 CYS HB2 H -9.490 -10.479 3.662 1.00 . A A . 12 CYS HB2 1 1 15 12913 1 1 12 CYS HB3 H -10.746 -9.948 2.532 1.00 . A A . 12 CYS HB3 1 1 15 12914 1 1 12 CYS HG H -9.559 -10.456 0.390 1.00 . A A . 12 CYS HG 1 1 15 12915 1 1 12 CYS N N -8.113 -8.171 3.697 1.00 . A A . 12 CYS N 1 1 15 12916 1 1 12 CYS O O -11.749 -8.326 3.982 1.00 . A A . 12 CYS O 1 1 15 12917 1 1 12 CYS SG S -8.733 -10.458 1.430 1.00 . A A . 12 CYS SG 1 1 15 12918 1 1 13 LYS C C -12.157 -5.338 4.852 1.00 . A A . 13 LYS C 1 1 15 12919 1 1 13 LYS CA C -11.231 -6.217 5.696 1.00 . A A . 13 LYS CA 1 1 15 12920 1 1 13 LYS CB C -10.509 -5.368 6.736 1.00 . A A . 13 LYS CB 1 1 15 12921 1 1 13 LYS CD C -8.925 -5.224 8.628 1.00 . A A . 13 LYS CD 1 1 15 12922 1 1 13 LYS CE C -8.263 -5.994 9.731 1.00 . A A . 13 LYS CE 1 1 15 12923 1 1 13 LYS CG C -9.654 -6.157 7.691 1.00 . A A . 13 LYS CG 1 1 15 12924 1 1 13 LYS H H -9.324 -6.622 4.867 1.00 . A A . 13 LYS H 1 1 15 12925 1 1 13 LYS HA H -11.813 -6.973 6.204 1.00 . A A . 13 LYS HA 1 1 15 12926 1 1 13 LYS HB2 H -9.887 -4.628 6.256 1.00 . A A . 13 LYS HB2 1 1 15 12927 1 1 13 LYS HB3 H -11.237 -4.838 7.331 1.00 . A A . 13 LYS HB3 1 1 15 12928 1 1 13 LYS HD2 H -8.168 -4.697 8.066 1.00 . A A . 13 LYS HD2 1 1 15 12929 1 1 13 LYS HD3 H -9.615 -4.514 9.056 1.00 . A A . 13 LYS HD3 1 1 15 12930 1 1 13 LYS HE2 H -9.081 -6.444 10.270 1.00 . A A . 13 LYS HE2 1 1 15 12931 1 1 13 LYS HE3 H -7.645 -6.773 9.314 1.00 . A A . 13 LYS HE3 1 1 15 12932 1 1 13 LYS HG2 H -10.280 -6.830 8.260 1.00 . A A . 13 LYS HG2 1 1 15 12933 1 1 13 LYS HG3 H -8.927 -6.724 7.127 1.00 . A A . 13 LYS HG3 1 1 15 12934 1 1 13 LYS HZ1 H -6.694 -4.688 10.104 1.00 . A A . 13 LYS HZ1 1 1 15 12935 1 1 13 LYS HZ2 H -7.079 -5.668 11.413 1.00 . A A . 13 LYS HZ2 1 1 15 12936 1 1 13 LYS HZ3 H -8.066 -4.347 11.014 1.00 . A A . 13 LYS HZ3 1 1 15 12937 1 1 13 LYS N N -10.264 -6.882 4.852 1.00 . A A . 13 LYS N 1 1 15 12938 1 1 13 LYS NZ N -7.482 -5.119 10.629 1.00 . A A . 13 LYS NZ 1 1 15 12939 1 1 13 LYS O O -12.033 -5.301 3.610 1.00 . A A . 13 LYS O 1 1 15 12940 1 1 14 ASP C C -13.413 -2.889 3.821 1.00 . A A . 14 ASP C 1 1 15 12941 1 1 14 ASP CA C -14.042 -3.703 4.938 1.00 . A A . 14 ASP CA 1 1 15 12942 1 1 14 ASP CB C -14.513 -2.710 6.008 1.00 . A A . 14 ASP CB 1 1 15 12943 1 1 14 ASP CG C -15.295 -3.309 7.154 1.00 . A A . 14 ASP CG 1 1 15 12944 1 1 14 ASP H H -13.105 -4.730 6.514 1.00 . A A . 14 ASP H 1 1 15 12945 1 1 14 ASP HA H -14.902 -4.248 4.580 1.00 . A A . 14 ASP HA 1 1 15 12946 1 1 14 ASP HB2 H -13.628 -2.250 6.416 1.00 . A A . 14 ASP HB2 1 1 15 12947 1 1 14 ASP HB3 H -15.113 -1.944 5.538 1.00 . A A . 14 ASP HB3 1 1 15 12948 1 1 14 ASP N N -13.060 -4.634 5.538 1.00 . A A . 14 ASP N 1 1 15 12949 1 1 14 ASP O O -13.854 -2.922 2.679 1.00 . A A . 14 ASP O 1 1 15 12950 1 1 14 ASP OD1 O -14.859 -4.313 7.737 1.00 . A A . 14 ASP OD1 1 1 15 12951 1 1 14 ASP OD2 O -16.350 -2.746 7.488 1.00 . A A . 14 ASP OD2 1 1 15 12952 1 1 15 LYS C C -10.220 -1.267 3.758 1.00 . A A . 15 LYS C 1 1 15 12953 1 1 15 LYS CA C -11.642 -1.309 3.286 1.00 . A A . 15 LYS CA 1 1 15 12954 1 1 15 LYS CB C -12.239 0.102 3.251 1.00 . A A . 15 LYS CB 1 1 15 12955 1 1 15 LYS CD C -14.268 1.515 2.698 1.00 . A A . 15 LYS CD 1 1 15 12956 1 1 15 LYS CE C -14.685 1.726 4.130 1.00 . A A . 15 LYS CE 1 1 15 12957 1 1 15 LYS CG C -13.577 0.175 2.542 1.00 . A A . 15 LYS CG 1 1 15 12958 1 1 15 LYS H H -12.107 -2.139 5.120 1.00 . A A . 15 LYS H 1 1 15 12959 1 1 15 LYS HA H -11.684 -1.738 2.297 1.00 . A A . 15 LYS HA 1 1 15 12960 1 1 15 LYS HB2 H -12.350 0.441 4.269 1.00 . A A . 15 LYS HB2 1 1 15 12961 1 1 15 LYS HB3 H -11.548 0.762 2.750 1.00 . A A . 15 LYS HB3 1 1 15 12962 1 1 15 LYS HD2 H -13.593 2.311 2.417 1.00 . A A . 15 LYS HD2 1 1 15 12963 1 1 15 LYS HD3 H -15.149 1.540 2.075 1.00 . A A . 15 LYS HD3 1 1 15 12964 1 1 15 LYS HE2 H -13.789 1.631 4.721 1.00 . A A . 15 LYS HE2 1 1 15 12965 1 1 15 LYS HE3 H -15.116 2.709 4.244 1.00 . A A . 15 LYS HE3 1 1 15 12966 1 1 15 LYS HG2 H -13.391 0.010 1.493 1.00 . A A . 15 LYS HG2 1 1 15 12967 1 1 15 LYS HG3 H -14.214 -0.609 2.926 1.00 . A A . 15 LYS HG3 1 1 15 12968 1 1 15 LYS HZ1 H -16.493 0.679 3.983 1.00 . A A . 15 LYS HZ1 1 1 15 12969 1 1 15 LYS HZ2 H -15.955 0.855 5.563 1.00 . A A . 15 LYS HZ2 1 1 15 12970 1 1 15 LYS HZ3 H -15.233 -0.272 4.534 1.00 . A A . 15 LYS HZ3 1 1 15 12971 1 1 15 LYS N N -12.395 -2.143 4.182 1.00 . A A . 15 LYS N 1 1 15 12972 1 1 15 LYS NZ N -15.645 0.680 4.584 1.00 . A A . 15 LYS NZ 1 1 15 12973 1 1 15 LYS O O -9.972 -1.053 4.938 1.00 . A A . 15 LYS O 1 1 15 12974 1 1 16 VAL C C -7.114 -0.543 2.348 1.00 . A A . 16 VAL C 1 1 15 12975 1 1 16 VAL CA C -7.895 -1.533 3.197 1.00 . A A . 16 VAL CA 1 1 15 12976 1 1 16 VAL CB C -7.289 -2.965 3.124 1.00 . A A . 16 VAL CB 1 1 15 12977 1 1 16 VAL CG1 C -7.930 -3.855 4.171 1.00 . A A . 16 VAL CG1 1 1 15 12978 1 1 16 VAL CG2 C -7.486 -3.569 1.742 1.00 . A A . 16 VAL CG2 1 1 15 12979 1 1 16 VAL H H -9.596 -1.657 1.936 1.00 . A A . 16 VAL H 1 1 15 12980 1 1 16 VAL HA H -7.840 -1.191 4.221 1.00 . A A . 16 VAL HA 1 1 15 12981 1 1 16 VAL HB H -6.230 -2.904 3.327 1.00 . A A . 16 VAL HB 1 1 15 12982 1 1 16 VAL HG11 H -7.517 -4.848 4.101 1.00 . A A . 16 VAL HG11 1 1 15 12983 1 1 16 VAL HG12 H -8.998 -3.898 4.016 1.00 . A A . 16 VAL HG12 1 1 15 12984 1 1 16 VAL HG13 H -7.735 -3.458 5.156 1.00 . A A . 16 VAL HG13 1 1 15 12985 1 1 16 VAL HG21 H -7.139 -4.592 1.724 1.00 . A A . 16 VAL HG21 1 1 15 12986 1 1 16 VAL HG22 H -6.933 -2.971 1.035 1.00 . A A . 16 VAL HG22 1 1 15 12987 1 1 16 VAL HG23 H -8.539 -3.552 1.500 1.00 . A A . 16 VAL HG23 1 1 15 12988 1 1 16 VAL N N -9.306 -1.510 2.862 1.00 . A A . 16 VAL N 1 1 15 12989 1 1 16 VAL O O -7.459 -0.307 1.181 1.00 . A A . 16 VAL O 1 1 15 12990 1 1 17 ASP C C -4.050 0.611 1.587 1.00 . A A . 17 ASP C 1 1 15 12991 1 1 17 ASP CA C -5.302 1.107 2.320 1.00 . A A . 17 ASP CA 1 1 15 12992 1 1 17 ASP CB C -4.898 2.138 3.386 1.00 . A A . 17 ASP CB 1 1 15 12993 1 1 17 ASP CG C -6.079 2.751 4.126 1.00 . A A . 17 ASP CG 1 1 15 12994 1 1 17 ASP H H -5.784 -0.340 3.795 1.00 . A A . 17 ASP H 1 1 15 12995 1 1 17 ASP HA H -5.943 1.598 1.604 1.00 . A A . 17 ASP HA 1 1 15 12996 1 1 17 ASP HB2 H -4.259 1.649 4.107 1.00 . A A . 17 ASP HB2 1 1 15 12997 1 1 17 ASP HB3 H -4.343 2.932 2.909 1.00 . A A . 17 ASP HB3 1 1 15 12998 1 1 17 ASP N N -6.071 0.008 2.925 1.00 . A A . 17 ASP N 1 1 15 12999 1 1 17 ASP O O -3.370 -0.335 2.040 1.00 . A A . 17 ASP O 1 1 15 13000 1 1 17 ASP OD1 O -6.730 3.672 3.588 1.00 . A A . 17 ASP OD1 1 1 15 13001 1 1 17 ASP OD2 O -6.356 2.327 5.276 1.00 . A A . 17 ASP OD2 1 1 15 13002 1 1 18 TRP C C -1.763 2.124 -0.705 1.00 . A A . 18 TRP C 1 1 15 13003 1 1 18 TRP CA C -2.620 0.891 -0.401 1.00 . A A . 18 TRP CA 1 1 15 13004 1 1 18 TRP CB C -3.152 0.368 -1.753 1.00 . A A . 18 TRP CB 1 1 15 13005 1 1 18 TRP CD1 C -5.360 -0.751 -1.114 1.00 . A A . 18 TRP CD1 1 1 15 13006 1 1 18 TRP CD2 C -4.045 -2.025 -2.358 1.00 . A A . 18 TRP CD2 1 1 15 13007 1 1 18 TRP CE2 C -5.196 -2.751 -2.053 1.00 . A A . 18 TRP CE2 1 1 15 13008 1 1 18 TRP CE3 C -3.089 -2.601 -3.139 1.00 . A A . 18 TRP CE3 1 1 15 13009 1 1 18 TRP CG C -4.148 -0.765 -1.702 1.00 . A A . 18 TRP CG 1 1 15 13010 1 1 18 TRP CH2 C -4.441 -4.582 -3.306 1.00 . A A . 18 TRP CH2 1 1 15 13011 1 1 18 TRP CZ2 C -5.412 -4.039 -2.525 1.00 . A A . 18 TRP CZ2 1 1 15 13012 1 1 18 TRP CZ3 C -3.287 -3.874 -3.621 1.00 . A A . 18 TRP CZ3 1 1 15 13013 1 1 18 TRP H H -4.301 2.047 0.252 1.00 . A A . 18 TRP H 1 1 15 13014 1 1 18 TRP HA H -2.027 0.123 0.069 1.00 . A A . 18 TRP HA 1 1 15 13015 1 1 18 TRP HB2 H -3.643 1.197 -2.231 1.00 . A A . 18 TRP HB2 1 1 15 13016 1 1 18 TRP HB3 H -2.336 0.078 -2.396 1.00 . A A . 18 TRP HB3 1 1 15 13017 1 1 18 TRP HD1 H -5.716 0.107 -0.563 1.00 . A A . 18 TRP HD1 1 1 15 13018 1 1 18 TRP HE1 H -6.857 -2.222 -0.918 1.00 . A A . 18 TRP HE1 1 1 15 13019 1 1 18 TRP HE3 H -2.214 -2.032 -3.372 1.00 . A A . 18 TRP HE3 1 1 15 13020 1 1 18 TRP HH2 H -4.557 -5.570 -3.719 1.00 . A A . 18 TRP HH2 1 1 15 13021 1 1 18 TRP HZ2 H -6.305 -4.594 -2.278 1.00 . A A . 18 TRP HZ2 1 1 15 13022 1 1 18 TRP HZ3 H -2.545 -4.349 -4.248 1.00 . A A . 18 TRP HZ3 1 1 15 13023 1 1 18 TRP N N -3.735 1.271 0.472 1.00 . A A . 18 TRP N 1 1 15 13024 1 1 18 TRP NE1 N -5.975 -1.962 -1.276 1.00 . A A . 18 TRP NE1 1 1 15 13025 1 1 18 TRP O O -2.249 3.268 -0.570 1.00 . A A . 18 TRP O 1 1 15 13026 1 1 19 VAL C C 1.153 2.517 -2.744 1.00 . A A . 19 VAL C 1 1 15 13027 1 1 19 VAL CA C 0.406 2.997 -1.525 1.00 . A A . 19 VAL CA 1 1 15 13028 1 1 19 VAL CB C 1.541 3.246 -0.510 1.00 . A A . 19 VAL CB 1 1 15 13029 1 1 19 VAL CG1 C 2.110 4.643 -0.576 1.00 . A A . 19 VAL CG1 1 1 15 13030 1 1 19 VAL CG2 C 1.245 2.789 0.861 1.00 . A A . 19 VAL CG2 1 1 15 13031 1 1 19 VAL H H -0.083 1.032 -1.236 1.00 . A A . 19 VAL H 1 1 15 13032 1 1 19 VAL HA H -0.126 3.916 -1.727 1.00 . A A . 19 VAL HA 1 1 15 13033 1 1 19 VAL HB H 2.351 2.641 -0.887 1.00 . A A . 19 VAL HB 1 1 15 13034 1 1 19 VAL HG11 H 2.513 4.823 -1.560 1.00 . A A . 19 VAL HG11 1 1 15 13035 1 1 19 VAL HG12 H 2.895 4.743 0.161 1.00 . A A . 19 VAL HG12 1 1 15 13036 1 1 19 VAL HG13 H 1.324 5.358 -0.378 1.00 . A A . 19 VAL HG13 1 1 15 13037 1 1 19 VAL HG21 H 0.320 3.247 1.166 1.00 . A A . 19 VAL HG21 1 1 15 13038 1 1 19 VAL HG22 H 2.063 3.053 1.513 1.00 . A A . 19 VAL HG22 1 1 15 13039 1 1 19 VAL HG23 H 1.198 1.710 0.792 1.00 . A A . 19 VAL HG23 1 1 15 13040 1 1 19 VAL N N -0.506 1.910 -1.131 1.00 . A A . 19 VAL N 1 1 15 13041 1 1 19 VAL O O 1.462 1.313 -2.841 1.00 . A A . 19 VAL O 1 1 15 13042 1 1 20 GLN C C 3.613 3.732 -4.549 1.00 . A A . 20 GLN C 1 1 15 13043 1 1 20 GLN CA C 2.281 3.057 -4.760 1.00 . A A . 20 GLN CA 1 1 15 13044 1 1 20 GLN CB C 1.697 3.506 -6.077 1.00 . A A . 20 GLN CB 1 1 15 13045 1 1 20 GLN CD C 1.278 2.831 -8.497 1.00 . A A . 20 GLN CD 1 1 15 13046 1 1 20 GLN CG C 1.824 2.433 -7.145 1.00 . A A . 20 GLN CG 1 1 15 13047 1 1 20 GLN H H 0.968 4.263 -3.572 1.00 . A A . 20 GLN H 1 1 15 13048 1 1 20 GLN HA H 2.420 1.988 -4.772 1.00 . A A . 20 GLN HA 1 1 15 13049 1 1 20 GLN HB2 H 0.663 3.778 -5.923 1.00 . A A . 20 GLN HB2 1 1 15 13050 1 1 20 GLN HB3 H 2.242 4.378 -6.409 1.00 . A A . 20 GLN HB3 1 1 15 13051 1 1 20 GLN HE21 H 2.439 1.500 -9.353 1.00 . A A . 20 GLN HE21 1 1 15 13052 1 1 20 GLN HE22 H 1.421 2.385 -10.414 1.00 . A A . 20 GLN HE22 1 1 15 13053 1 1 20 GLN HG2 H 2.867 2.188 -7.271 1.00 . A A . 20 GLN HG2 1 1 15 13054 1 1 20 GLN HG3 H 1.298 1.549 -6.808 1.00 . A A . 20 GLN HG3 1 1 15 13055 1 1 20 GLN N N 1.421 3.397 -3.660 1.00 . A A . 20 GLN N 1 1 15 13056 1 1 20 GLN NE2 N 1.761 2.190 -9.519 1.00 . A A . 20 GLN NE2 1 1 15 13057 1 1 20 GLN O O 3.654 4.873 -4.098 1.00 . A A . 20 GLN O 1 1 15 13058 1 1 20 GLN OE1 O 0.383 3.666 -8.609 1.00 . A A . 20 GLN OE1 1 1 15 13059 1 1 21 CYS C C 6.386 4.433 -5.978 1.00 . A A . 21 CYS C 1 1 15 13060 1 1 21 CYS CA C 6.019 3.604 -4.738 1.00 . A A . 21 CYS CA 1 1 15 13061 1 1 21 CYS CB C 7.043 2.500 -4.494 1.00 . A A . 21 CYS CB 1 1 15 13062 1 1 21 CYS H H 4.691 2.090 -5.124 1.00 . A A . 21 CYS H 1 1 15 13063 1 1 21 CYS HA H 6.024 4.268 -3.887 1.00 . A A . 21 CYS HA 1 1 15 13064 1 1 21 CYS HB2 H 7.963 2.824 -4.954 1.00 . A A . 21 CYS HB2 1 1 15 13065 1 1 21 CYS HB3 H 7.148 2.224 -3.454 1.00 . A A . 21 CYS HB3 1 1 15 13066 1 1 21 CYS N N 4.686 3.030 -4.830 1.00 . A A . 21 CYS N 1 1 15 13067 1 1 21 CYS O O 6.182 3.995 -7.117 1.00 . A A . 21 CYS O 1 1 15 13068 1 1 21 CYS SG S 6.783 1.013 -5.432 1.00 . A A . 21 CYS SG 1 1 15 13069 1 1 22 ASP C C 8.686 6.210 -7.457 1.00 . A A . 22 ASP C 1 1 15 13070 1 1 22 ASP CA C 7.371 6.583 -6.789 1.00 . A A . 22 ASP CA 1 1 15 13071 1 1 22 ASP CB C 7.527 7.991 -6.190 1.00 . A A . 22 ASP CB 1 1 15 13072 1 1 22 ASP CG C 6.262 8.524 -5.567 1.00 . A A . 22 ASP CG 1 1 15 13073 1 1 22 ASP H H 7.202 5.838 -4.801 1.00 . A A . 22 ASP H 1 1 15 13074 1 1 22 ASP HA H 6.579 6.609 -7.522 1.00 . A A . 22 ASP HA 1 1 15 13075 1 1 22 ASP HB2 H 8.303 7.980 -5.438 1.00 . A A . 22 ASP HB2 1 1 15 13076 1 1 22 ASP HB3 H 7.816 8.652 -6.995 1.00 . A A . 22 ASP HB3 1 1 15 13077 1 1 22 ASP N N 6.992 5.601 -5.734 1.00 . A A . 22 ASP N 1 1 15 13078 1 1 22 ASP O O 9.372 7.066 -8.032 1.00 . A A . 22 ASP O 1 1 15 13079 1 1 22 ASP OD1 O 6.053 8.288 -4.368 1.00 . A A . 22 ASP OD1 1 1 15 13080 1 1 22 ASP OD2 O 5.465 9.194 -6.285 1.00 . A A . 22 ASP OD2 1 1 15 13081 1 1 23 GLY C C 9.926 3.843 -9.343 1.00 . A A . 23 GLY C 1 1 15 13082 1 1 23 GLY CA C 10.228 4.499 -8.027 1.00 . A A . 23 GLY CA 1 1 15 13083 1 1 23 GLY H H 8.442 4.229 -7.101 1.00 . A A . 23 GLY H 1 1 15 13084 1 1 23 GLY HA2 H 10.892 5.343 -8.166 1.00 . A A . 23 GLY HA2 1 1 15 13085 1 1 23 GLY HA3 H 10.682 3.770 -7.371 1.00 . A A . 23 GLY HA3 1 1 15 13086 1 1 23 GLY N N 9.019 4.942 -7.433 1.00 . A A . 23 GLY N 1 1 15 13087 1 1 23 GLY O O 8.890 4.112 -9.933 1.00 . A A . 23 GLY O 1 1 15 13088 1 1 24 GLY C C 9.882 0.987 -11.025 1.00 . A A . 24 GLY C 1 1 15 13089 1 1 24 GLY CA C 10.530 2.356 -11.083 1.00 . A A . 24 GLY CA 1 1 15 13090 1 1 24 GLY H H 11.583 2.609 -9.374 1.00 . A A . 24 GLY H 1 1 15 13091 1 1 24 GLY HA2 H 9.872 3.011 -11.631 1.00 . A A . 24 GLY HA2 1 1 15 13092 1 1 24 GLY HA3 H 11.465 2.291 -11.616 1.00 . A A . 24 GLY HA3 1 1 15 13093 1 1 24 GLY N N 10.768 2.949 -9.792 1.00 . A A . 24 GLY N 1 1 15 13094 1 1 24 GLY O O 9.665 0.365 -12.061 1.00 . A A . 24 GLY O 1 1 15 13095 1 1 25 CYS C C 7.386 -0.624 -9.740 1.00 . A A . 25 CYS C 1 1 15 13096 1 1 25 CYS CA C 8.906 -0.824 -9.786 1.00 . A A . 25 CYS CA 1 1 15 13097 1 1 25 CYS CB C 9.428 -1.751 -8.639 1.00 . A A . 25 CYS CB 1 1 15 13098 1 1 25 CYS H H 9.817 0.970 -9.013 1.00 . A A . 25 CYS H 1 1 15 13099 1 1 25 CYS HA H 9.123 -1.281 -10.742 1.00 . A A . 25 CYS HA 1 1 15 13100 1 1 25 CYS HB2 H 9.516 -2.757 -9.010 1.00 . A A . 25 CYS HB2 1 1 15 13101 1 1 25 CYS HB3 H 10.407 -1.413 -8.347 1.00 . A A . 25 CYS HB3 1 1 15 13102 1 1 25 CYS N N 9.578 0.479 -9.830 1.00 . A A . 25 CYS N 1 1 15 13103 1 1 25 CYS O O 6.622 -1.516 -10.081 1.00 . A A . 25 CYS O 1 1 15 13104 1 1 25 CYS SG S 8.416 -1.857 -7.127 1.00 . A A . 25 CYS SG 1 1 15 13105 1 1 26 ASP C C 4.606 0.089 -8.641 1.00 . A A . 26 ASP C 1 1 15 13106 1 1 26 ASP CA C 5.558 1.090 -9.284 1.00 . A A . 26 ASP CA 1 1 15 13107 1 1 26 ASP CB C 5.014 1.382 -10.678 1.00 . A A . 26 ASP CB 1 1 15 13108 1 1 26 ASP CG C 5.798 2.384 -11.455 1.00 . A A . 26 ASP CG 1 1 15 13109 1 1 26 ASP H H 7.674 1.294 -9.191 1.00 . A A . 26 ASP H 1 1 15 13110 1 1 26 ASP HA H 5.557 2.013 -8.721 1.00 . A A . 26 ASP HA 1 1 15 13111 1 1 26 ASP HB2 H 5.025 0.451 -11.223 1.00 . A A . 26 ASP HB2 1 1 15 13112 1 1 26 ASP HB3 H 3.988 1.719 -10.591 1.00 . A A . 26 ASP HB3 1 1 15 13113 1 1 26 ASP N N 6.988 0.614 -9.357 1.00 . A A . 26 ASP N 1 1 15 13114 1 1 26 ASP O O 3.463 -0.065 -9.108 1.00 . A A . 26 ASP O 1 1 15 13115 1 1 26 ASP OD1 O 5.674 3.590 -11.195 1.00 . A A . 26 ASP OD1 1 1 15 13116 1 1 26 ASP OD2 O 6.541 1.970 -12.364 1.00 . A A . 26 ASP OD2 1 1 15 13117 1 1 27 GLU C C 3.265 -0.972 -5.900 1.00 . A A . 27 GLU C 1 1 15 13118 1 1 27 GLU CA C 4.130 -1.514 -7.013 1.00 . A A . 27 GLU CA 1 1 15 13119 1 1 27 GLU CB C 4.843 -2.790 -6.630 1.00 . A A . 27 GLU CB 1 1 15 13120 1 1 27 GLU CD C 5.874 -4.925 -7.492 1.00 . A A . 27 GLU CD 1 1 15 13121 1 1 27 GLU CG C 5.409 -3.538 -7.823 1.00 . A A . 27 GLU CG 1 1 15 13122 1 1 27 GLU H H 5.835 -0.295 -7.124 1.00 . A A . 27 GLU H 1 1 15 13123 1 1 27 GLU HA H 3.442 -1.750 -7.812 1.00 . A A . 27 GLU HA 1 1 15 13124 1 1 27 GLU HB2 H 5.664 -2.531 -5.975 1.00 . A A . 27 GLU HB2 1 1 15 13125 1 1 27 GLU HB3 H 4.148 -3.424 -6.111 1.00 . A A . 27 GLU HB3 1 1 15 13126 1 1 27 GLU HG2 H 4.657 -3.605 -8.597 1.00 . A A . 27 GLU HG2 1 1 15 13127 1 1 27 GLU HG3 H 6.248 -2.973 -8.202 1.00 . A A . 27 GLU HG3 1 1 15 13128 1 1 27 GLU N N 4.996 -0.532 -7.570 1.00 . A A . 27 GLU N 1 1 15 13129 1 1 27 GLU O O 3.590 0.047 -5.272 1.00 . A A . 27 GLU O 1 1 15 13130 1 1 27 GLU OE1 O 6.992 -5.084 -6.970 1.00 . A A . 27 GLU OE1 1 1 15 13131 1 1 27 GLU OE2 O 5.099 -5.899 -7.772 1.00 . A A . 27 GLU OE2 1 1 15 13132 1 1 28 TRP C C 1.386 -2.133 -3.453 1.00 . A A . 28 TRP C 1 1 15 13133 1 1 28 TRP CA C 1.200 -1.273 -4.678 1.00 . A A . 28 TRP CA 1 1 15 13134 1 1 28 TRP CB C -0.243 -1.429 -5.157 1.00 . A A . 28 TRP CB 1 1 15 13135 1 1 28 TRP CD1 C -0.876 -0.662 -7.550 1.00 . A A . 28 TRP CD1 1 1 15 13136 1 1 28 TRP CD2 C -1.236 0.856 -5.951 1.00 . A A . 28 TRP CD2 1 1 15 13137 1 1 28 TRP CE2 C -1.643 1.393 -7.183 1.00 . A A . 28 TRP CE2 1 1 15 13138 1 1 28 TRP CE3 C -1.369 1.633 -4.807 1.00 . A A . 28 TRP CE3 1 1 15 13139 1 1 28 TRP CG C -0.747 -0.459 -6.199 1.00 . A A . 28 TRP CG 1 1 15 13140 1 1 28 TRP CH2 C -2.293 3.399 -6.161 1.00 . A A . 28 TRP CH2 1 1 15 13141 1 1 28 TRP CZ2 C -2.172 2.661 -7.298 1.00 . A A . 28 TRP CZ2 1 1 15 13142 1 1 28 TRP CZ3 C -1.894 2.902 -4.924 1.00 . A A . 28 TRP CZ3 1 1 15 13143 1 1 28 TRP H H 2.014 -2.452 -6.224 1.00 . A A . 28 TRP H 1 1 15 13144 1 1 28 TRP HA H 1.366 -0.246 -4.399 1.00 . A A . 28 TRP HA 1 1 15 13145 1 1 28 TRP HB2 H -0.401 -2.430 -5.529 1.00 . A A . 28 TRP HB2 1 1 15 13146 1 1 28 TRP HB3 H -0.840 -1.291 -4.271 1.00 . A A . 28 TRP HB3 1 1 15 13147 1 1 28 TRP HD1 H -0.607 -1.557 -8.081 1.00 . A A . 28 TRP HD1 1 1 15 13148 1 1 28 TRP HE1 H -1.603 0.546 -9.098 1.00 . A A . 28 TRP HE1 1 1 15 13149 1 1 28 TRP HE3 H -1.062 1.261 -3.841 1.00 . A A . 28 TRP HE3 1 1 15 13150 1 1 28 TRP HH2 H -2.696 4.394 -6.214 1.00 . A A . 28 TRP HH2 1 1 15 13151 1 1 28 TRP HZ2 H -2.488 3.049 -8.254 1.00 . A A . 28 TRP HZ2 1 1 15 13152 1 1 28 TRP HZ3 H -2.009 3.520 -4.047 1.00 . A A . 28 TRP HZ3 1 1 15 13153 1 1 28 TRP N N 2.158 -1.644 -5.691 1.00 . A A . 28 TRP N 1 1 15 13154 1 1 28 TRP NE1 N -1.416 0.446 -8.140 1.00 . A A . 28 TRP NE1 1 1 15 13155 1 1 28 TRP O O 1.530 -3.365 -3.560 1.00 . A A . 28 TRP O 1 1 15 13156 1 1 29 PHE C C 0.456 -1.738 -0.127 1.00 . A A . 29 PHE C 1 1 15 13157 1 1 29 PHE CA C 1.550 -2.181 -1.034 1.00 . A A . 29 PHE CA 1 1 15 13158 1 1 29 PHE CB C 2.823 -1.764 -0.354 1.00 . A A . 29 PHE CB 1 1 15 13159 1 1 29 PHE CD1 C 4.650 -2.634 -1.808 1.00 . A A . 29 PHE CD1 1 1 15 13160 1 1 29 PHE CD2 C 4.320 -0.277 -1.591 1.00 . A A . 29 PHE CD2 1 1 15 13161 1 1 29 PHE CE1 C 5.694 -2.404 -2.660 1.00 . A A . 29 PHE CE1 1 1 15 13162 1 1 29 PHE CE2 C 5.346 -0.053 -2.421 1.00 . A A . 29 PHE CE2 1 1 15 13163 1 1 29 PHE CG C 3.950 -1.563 -1.266 1.00 . A A . 29 PHE CG 1 1 15 13164 1 1 29 PHE CZ C 6.036 -1.110 -2.966 1.00 . A A . 29 PHE CZ 1 1 15 13165 1 1 29 PHE H H 1.355 -0.518 -2.338 1.00 . A A . 29 PHE H 1 1 15 13166 1 1 29 PHE HA H 1.547 -3.254 -1.157 1.00 . A A . 29 PHE HA 1 1 15 13167 1 1 29 PHE HB2 H 2.642 -0.831 0.160 1.00 . A A . 29 PHE HB2 1 1 15 13168 1 1 29 PHE HB3 H 3.096 -2.517 0.369 1.00 . A A . 29 PHE HB3 1 1 15 13169 1 1 29 PHE HD1 H 4.372 -3.650 -1.562 1.00 . A A . 29 PHE HD1 1 1 15 13170 1 1 29 PHE HD2 H 3.775 0.564 -1.175 1.00 . A A . 29 PHE HD2 1 1 15 13171 1 1 29 PHE HE1 H 6.246 -3.225 -3.092 1.00 . A A . 29 PHE HE1 1 1 15 13172 1 1 29 PHE HE2 H 5.612 0.963 -2.649 1.00 . A A . 29 PHE HE2 1 1 15 13173 1 1 29 PHE HZ H 6.856 -0.892 -3.635 1.00 . A A . 29 PHE HZ 1 1 15 13174 1 1 29 PHE N N 1.397 -1.500 -2.306 1.00 . A A . 29 PHE N 1 1 15 13175 1 1 29 PHE O O -0.290 -0.847 -0.459 1.00 . A A . 29 PHE O 1 1 15 13176 1 1 30 HIS C C 0.328 -1.026 2.914 1.00 . A A . 30 HIS C 1 1 15 13177 1 1 30 HIS CA C -0.543 -1.870 2.017 1.00 . A A . 30 HIS CA 1 1 15 13178 1 1 30 HIS CB C -1.168 -2.997 2.833 1.00 . A A . 30 HIS CB 1 1 15 13179 1 1 30 HIS CD2 C -3.302 -4.089 1.827 1.00 . A A . 30 HIS CD2 1 1 15 13180 1 1 30 HIS CE1 C -2.387 -5.975 1.133 1.00 . A A . 30 HIS CE1 1 1 15 13181 1 1 30 HIS CG C -1.970 -4.009 2.074 1.00 . A A . 30 HIS CG 1 1 15 13182 1 1 30 HIS H H 1.000 -3.089 1.186 1.00 . A A . 30 HIS H 1 1 15 13183 1 1 30 HIS HA H -1.300 -1.259 1.548 1.00 . A A . 30 HIS HA 1 1 15 13184 1 1 30 HIS HB2 H -0.380 -3.531 3.347 1.00 . A A . 30 HIS HB2 1 1 15 13185 1 1 30 HIS HB3 H -1.809 -2.560 3.583 1.00 . A A . 30 HIS HB3 1 1 15 13186 1 1 30 HIS HD2 H -4.049 -3.345 2.076 1.00 . A A . 30 HIS HD2 1 1 15 13187 1 1 30 HIS HE1 H -2.275 -7.011 0.830 1.00 . A A . 30 HIS HE1 1 1 15 13188 1 1 30 HIS HE2 H -4.310 -5.512 0.659 1.00 . A A . 30 HIS HE2 1 1 15 13189 1 1 30 HIS N N 0.357 -2.362 1.020 1.00 . A A . 30 HIS N 1 1 15 13190 1 1 30 HIS ND1 N -1.427 -5.189 1.613 1.00 . A A . 30 HIS ND1 1 1 15 13191 1 1 30 HIS NE2 N -3.539 -5.326 1.238 1.00 . A A . 30 HIS NE2 1 1 15 13192 1 1 30 HIS O O 1.491 -1.376 3.125 1.00 . A A . 30 HIS O 1 1 15 13193 1 1 31 GLN C C 1.229 0.246 5.437 1.00 . A A . 31 GLN C 1 1 15 13194 1 1 31 GLN CA C 0.625 0.962 4.236 1.00 . A A . 31 GLN CA 1 1 15 13195 1 1 31 GLN CB C -0.174 2.187 4.670 1.00 . A A . 31 GLN CB 1 1 15 13196 1 1 31 GLN CD C -0.914 4.316 3.528 1.00 . A A . 31 GLN CD 1 1 15 13197 1 1 31 GLN CG C -0.912 2.806 3.518 1.00 . A A . 31 GLN CG 1 1 15 13198 1 1 31 GLN H H -1.110 0.268 3.194 1.00 . A A . 31 GLN H 1 1 15 13199 1 1 31 GLN HA H 1.432 1.276 3.597 1.00 . A A . 31 GLN HA 1 1 15 13200 1 1 31 GLN HB2 H -0.882 1.879 5.426 1.00 . A A . 31 GLN HB2 1 1 15 13201 1 1 31 GLN HB3 H 0.481 2.932 5.097 1.00 . A A . 31 GLN HB3 1 1 15 13202 1 1 31 GLN HE21 H -1.049 4.312 1.558 1.00 . A A . 31 GLN HE21 1 1 15 13203 1 1 31 GLN HE22 H -0.968 5.863 2.271 1.00 . A A . 31 GLN HE22 1 1 15 13204 1 1 31 GLN HG2 H -0.428 2.433 2.628 1.00 . A A . 31 GLN HG2 1 1 15 13205 1 1 31 GLN HG3 H -1.929 2.439 3.539 1.00 . A A . 31 GLN HG3 1 1 15 13206 1 1 31 GLN N N -0.183 0.059 3.418 1.00 . A A . 31 GLN N 1 1 15 13207 1 1 31 GLN NE2 N -0.987 4.889 2.347 1.00 . A A . 31 GLN NE2 1 1 15 13208 1 1 31 GLN O O 2.389 0.395 5.738 1.00 . A A . 31 GLN O 1 1 15 13209 1 1 31 GLN OE1 O -0.855 4.948 4.564 1.00 . A A . 31 GLN OE1 1 1 15 13210 1 1 32 VAL C C 1.928 -2.385 6.964 1.00 . A A . 32 VAL C 1 1 15 13211 1 1 32 VAL CA C 0.875 -1.300 7.245 1.00 . A A . 32 VAL CA 1 1 15 13212 1 1 32 VAL CB C -0.320 -1.923 8.000 1.00 . A A . 32 VAL CB 1 1 15 13213 1 1 32 VAL CG1 C -1.276 -0.835 8.481 1.00 . A A . 32 VAL CG1 1 1 15 13214 1 1 32 VAL CG2 C -1.053 -2.925 7.108 1.00 . A A . 32 VAL CG2 1 1 15 13215 1 1 32 VAL H H -0.451 -0.796 5.734 1.00 . A A . 32 VAL H 1 1 15 13216 1 1 32 VAL HA H 1.334 -0.577 7.902 1.00 . A A . 32 VAL HA 1 1 15 13217 1 1 32 VAL HB H 0.080 -2.450 8.853 1.00 . A A . 32 VAL HB 1 1 15 13218 1 1 32 VAL HG11 H -1.644 -0.287 7.628 1.00 . A A . 32 VAL HG11 1 1 15 13219 1 1 32 VAL HG12 H -0.750 -0.156 9.134 1.00 . A A . 32 VAL HG12 1 1 15 13220 1 1 32 VAL HG13 H -2.102 -1.287 9.011 1.00 . A A . 32 VAL HG13 1 1 15 13221 1 1 32 VAL HG21 H -1.413 -2.420 6.223 1.00 . A A . 32 VAL HG21 1 1 15 13222 1 1 32 VAL HG22 H -1.879 -3.374 7.641 1.00 . A A . 32 VAL HG22 1 1 15 13223 1 1 32 VAL HG23 H -0.348 -3.682 6.790 1.00 . A A . 32 VAL HG23 1 1 15 13224 1 1 32 VAL N N 0.447 -0.592 6.059 1.00 . A A . 32 VAL N 1 1 15 13225 1 1 32 VAL O O 2.782 -2.651 7.812 1.00 . A A . 32 VAL O 1 1 15 13226 1 1 33 CYS C C 4.177 -3.625 5.039 1.00 . A A . 33 CYS C 1 1 15 13227 1 1 33 CYS CA C 2.787 -4.103 5.496 1.00 . A A . 33 CYS CA 1 1 15 13228 1 1 33 CYS CB C 2.150 -5.074 4.478 1.00 . A A . 33 CYS CB 1 1 15 13229 1 1 33 CYS H H 1.328 -2.686 5.045 1.00 . A A . 33 CYS H 1 1 15 13230 1 1 33 CYS HA H 2.920 -4.624 6.431 1.00 . A A . 33 CYS HA 1 1 15 13231 1 1 33 CYS HB2 H 2.807 -5.890 4.227 1.00 . A A . 33 CYS HB2 1 1 15 13232 1 1 33 CYS HB3 H 1.208 -5.457 4.834 1.00 . A A . 33 CYS HB3 1 1 15 13233 1 1 33 CYS N N 1.901 -2.988 5.777 1.00 . A A . 33 CYS N 1 1 15 13234 1 1 33 CYS O O 5.174 -4.279 5.307 1.00 . A A . 33 CYS O 1 1 15 13235 1 1 33 CYS SG S 1.743 -4.303 2.959 1.00 . A A . 33 CYS SG 1 1 15 13236 1 1 34 VAL C C 6.015 -0.798 4.799 1.00 . A A . 34 VAL C 1 1 15 13237 1 1 34 VAL CA C 5.484 -1.974 3.891 1.00 . A A . 34 VAL CA 1 1 15 13238 1 1 34 VAL CB C 5.347 -1.553 2.392 1.00 . A A . 34 VAL CB 1 1 15 13239 1 1 34 VAL CG1 C 4.653 -0.233 2.183 1.00 . A A . 34 VAL CG1 1 1 15 13240 1 1 34 VAL CG2 C 6.662 -1.605 1.741 1.00 . A A . 34 VAL CG2 1 1 15 13241 1 1 34 VAL H H 3.473 -1.903 4.203 1.00 . A A . 34 VAL H 1 1 15 13242 1 1 34 VAL HA H 6.193 -2.785 3.963 1.00 . A A . 34 VAL HA 1 1 15 13243 1 1 34 VAL HB H 4.711 -2.260 1.878 1.00 . A A . 34 VAL HB 1 1 15 13244 1 1 34 VAL HG11 H 5.248 0.507 2.694 1.00 . A A . 34 VAL HG11 1 1 15 13245 1 1 34 VAL HG12 H 3.640 -0.227 2.557 1.00 . A A . 34 VAL HG12 1 1 15 13246 1 1 34 VAL HG13 H 4.682 -0.007 1.123 1.00 . A A . 34 VAL HG13 1 1 15 13247 1 1 34 VAL HG21 H 6.996 -2.619 1.890 1.00 . A A . 34 VAL HG21 1 1 15 13248 1 1 34 VAL HG22 H 7.286 -0.926 2.296 1.00 . A A . 34 VAL HG22 1 1 15 13249 1 1 34 VAL HG23 H 6.559 -1.333 0.704 1.00 . A A . 34 VAL HG23 1 1 15 13250 1 1 34 VAL N N 4.246 -2.466 4.381 1.00 . A A . 34 VAL N 1 1 15 13251 1 1 34 VAL O O 6.889 -0.021 4.417 1.00 . A A . 34 VAL O 1 1 15 13252 1 1 35 GLY C C 5.659 1.701 6.611 1.00 . A A . 35 GLY C 1 1 15 13253 1 1 35 GLY CA C 5.913 0.248 7.011 1.00 . A A . 35 GLY CA 1 1 15 13254 1 1 35 GLY H H 4.867 -1.460 6.267 1.00 . A A . 35 GLY H 1 1 15 13255 1 1 35 GLY HA2 H 5.388 0.051 7.932 1.00 . A A . 35 GLY HA2 1 1 15 13256 1 1 35 GLY HA3 H 6.969 0.117 7.193 1.00 . A A . 35 GLY HA3 1 1 15 13257 1 1 35 GLY N N 5.496 -0.750 6.024 1.00 . A A . 35 GLY N 1 1 15 13258 1 1 35 GLY O O 6.548 2.547 6.743 1.00 . A A . 35 GLY O 1 1 15 13259 1 1 36 VAL C C 3.084 3.847 6.767 1.00 . A A . 36 VAL C 1 1 15 13260 1 1 36 VAL CA C 4.083 3.337 5.763 1.00 . A A . 36 VAL CA 1 1 15 13261 1 1 36 VAL CB C 3.395 3.393 4.349 1.00 . A A . 36 VAL CB 1 1 15 13262 1 1 36 VAL CG1 C 2.852 4.732 4.003 1.00 . A A . 36 VAL CG1 1 1 15 13263 1 1 36 VAL CG2 C 4.300 3.030 3.279 1.00 . A A . 36 VAL CG2 1 1 15 13264 1 1 36 VAL H H 3.812 1.276 5.966 1.00 . A A . 36 VAL H 1 1 15 13265 1 1 36 VAL HA H 4.959 3.969 5.747 1.00 . A A . 36 VAL HA 1 1 15 13266 1 1 36 VAL HB H 2.579 2.686 4.346 1.00 . A A . 36 VAL HB 1 1 15 13267 1 1 36 VAL HG11 H 2.043 5.020 4.658 1.00 . A A . 36 VAL HG11 1 1 15 13268 1 1 36 VAL HG12 H 2.536 4.658 2.971 1.00 . A A . 36 VAL HG12 1 1 15 13269 1 1 36 VAL HG13 H 3.659 5.446 4.051 1.00 . A A . 36 VAL HG13 1 1 15 13270 1 1 36 VAL HG21 H 4.224 1.983 3.043 1.00 . A A . 36 VAL HG21 1 1 15 13271 1 1 36 VAL HG22 H 5.301 3.377 3.470 1.00 . A A . 36 VAL HG22 1 1 15 13272 1 1 36 VAL HG23 H 3.922 3.660 2.478 1.00 . A A . 36 VAL HG23 1 1 15 13273 1 1 36 VAL N N 4.482 1.983 6.120 1.00 . A A . 36 VAL N 1 1 15 13274 1 1 36 VAL O O 2.276 3.085 7.283 1.00 . A A . 36 VAL O 1 1 15 13275 1 1 37 SER C C 1.496 6.721 6.831 1.00 . A A . 37 SER C 1 1 15 13276 1 1 37 SER CA C 2.152 5.750 7.813 1.00 . A A . 37 SER CA 1 1 15 13277 1 1 37 SER CB C 2.849 6.517 8.938 1.00 . A A . 37 SER CB 1 1 15 13278 1 1 37 SER H H 3.755 5.805 6.745 1.00 . A A . 37 SER H 1 1 15 13279 1 1 37 SER HA H 1.456 5.025 8.200 1.00 . A A . 37 SER HA 1 1 15 13280 1 1 37 SER HB2 H 3.447 7.306 8.506 1.00 . A A . 37 SER HB2 1 1 15 13281 1 1 37 SER HB3 H 2.109 6.954 9.591 1.00 . A A . 37 SER HB3 1 1 15 13282 1 1 37 SER HG H 3.273 4.805 9.816 1.00 . A A . 37 SER HG 1 1 15 13283 1 1 37 SER N N 3.131 5.111 7.037 1.00 . A A . 37 SER N 1 1 15 13284 1 1 37 SER O O 2.225 7.293 5.990 1.00 . A A . 37 SER O 1 1 15 13285 1 1 37 SER OG O 3.697 5.663 9.694 1.00 . A A . 37 SER OG 1 1 15 13286 1 1 38 PRO C C 0.106 9.122 5.662 1.00 . A A . 38 PRO C 1 1 15 13287 1 1 38 PRO CA C -0.588 7.782 5.917 1.00 . A A . 38 PRO CA 1 1 15 13288 1 1 38 PRO CB C -1.925 8.011 6.620 1.00 . A A . 38 PRO CB 1 1 15 13289 1 1 38 PRO CD C -0.769 6.298 7.869 1.00 . A A . 38 PRO CD 1 1 15 13290 1 1 38 PRO CG C -2.136 6.778 7.440 1.00 . A A . 38 PRO CG 1 1 15 13291 1 1 38 PRO HA H -0.752 7.275 4.980 1.00 . A A . 38 PRO HA 1 1 15 13292 1 1 38 PRO HB2 H -1.862 8.897 7.241 1.00 . A A . 38 PRO HB2 1 1 15 13293 1 1 38 PRO HB3 H -2.708 8.134 5.883 1.00 . A A . 38 PRO HB3 1 1 15 13294 1 1 38 PRO HD2 H -0.557 6.652 8.867 1.00 . A A . 38 PRO HD2 1 1 15 13295 1 1 38 PRO HD3 H -0.728 5.218 7.819 1.00 . A A . 38 PRO HD3 1 1 15 13296 1 1 38 PRO HG2 H -2.731 7.014 8.311 1.00 . A A . 38 PRO HG2 1 1 15 13297 1 1 38 PRO HG3 H -2.627 6.021 6.850 1.00 . A A . 38 PRO HG3 1 1 15 13298 1 1 38 PRO N N 0.152 6.915 6.882 1.00 . A A . 38 PRO N 1 1 15 13299 1 1 38 PRO O O 0.193 9.590 4.531 1.00 . A A . 38 PRO O 1 1 15 13300 1 1 39 GLU C C 2.516 10.960 5.786 1.00 . A A . 39 GLU C 1 1 15 13301 1 1 39 GLU CA C 1.294 10.985 6.695 1.00 . A A . 39 GLU CA 1 1 15 13302 1 1 39 GLU CB C 1.730 11.307 8.114 1.00 . A A . 39 GLU CB 1 1 15 13303 1 1 39 GLU CD C 1.012 11.514 10.510 1.00 . A A . 39 GLU CD 1 1 15 13304 1 1 39 GLU CG C 0.596 11.229 9.099 1.00 . A A . 39 GLU CG 1 1 15 13305 1 1 39 GLU H H 0.589 9.219 7.581 1.00 . A A . 39 GLU H 1 1 15 13306 1 1 39 GLU HA H 0.607 11.747 6.370 1.00 . A A . 39 GLU HA 1 1 15 13307 1 1 39 GLU HB2 H 2.483 10.588 8.404 1.00 . A A . 39 GLU HB2 1 1 15 13308 1 1 39 GLU HB3 H 2.149 12.302 8.143 1.00 . A A . 39 GLU HB3 1 1 15 13309 1 1 39 GLU HG2 H -0.164 11.920 8.782 1.00 . A A . 39 GLU HG2 1 1 15 13310 1 1 39 GLU HG3 H 0.195 10.226 9.058 1.00 . A A . 39 GLU HG3 1 1 15 13311 1 1 39 GLU N N 0.638 9.689 6.723 1.00 . A A . 39 GLU N 1 1 15 13312 1 1 39 GLU O O 2.717 11.838 4.954 1.00 . A A . 39 GLU O 1 1 15 13313 1 1 39 GLU OE1 O 0.980 12.676 10.944 1.00 . A A . 39 GLU OE1 1 1 15 13314 1 1 39 GLU OE2 O 1.339 10.558 11.217 1.00 . A A . 39 GLU OE2 1 1 15 13315 1 1 40 MET C C 4.342 9.665 3.688 1.00 . A A . 40 MET C 1 1 15 13316 1 1 40 MET CA C 4.541 9.828 5.189 1.00 . A A . 40 MET CA 1 1 15 13317 1 1 40 MET CB C 5.441 8.710 5.742 1.00 . A A . 40 MET CB 1 1 15 13318 1 1 40 MET CE C 8.221 10.181 6.382 1.00 . A A . 40 MET CE 1 1 15 13319 1 1 40 MET CG C 5.876 8.892 7.188 1.00 . A A . 40 MET CG 1 1 15 13320 1 1 40 MET H H 2.889 9.177 6.408 1.00 . A A . 40 MET H 1 1 15 13321 1 1 40 MET HA H 5.036 10.774 5.344 1.00 . A A . 40 MET HA 1 1 15 13322 1 1 40 MET HB2 H 4.922 7.767 5.666 1.00 . A A . 40 MET HB2 1 1 15 13323 1 1 40 MET HB3 H 6.325 8.654 5.126 1.00 . A A . 40 MET HB3 1 1 15 13324 1 1 40 MET HE1 H 8.872 11.040 6.426 1.00 . A A . 40 MET HE1 1 1 15 13325 1 1 40 MET HE2 H 7.870 10.046 5.370 1.00 . A A . 40 MET HE2 1 1 15 13326 1 1 40 MET HE3 H 8.773 9.306 6.693 1.00 . A A . 40 MET HE3 1 1 15 13327 1 1 40 MET HG2 H 4.989 8.908 7.804 1.00 . A A . 40 MET HG2 1 1 15 13328 1 1 40 MET HG3 H 6.496 8.048 7.467 1.00 . A A . 40 MET HG3 1 1 15 13329 1 1 40 MET N N 3.273 9.917 5.896 1.00 . A A . 40 MET N 1 1 15 13330 1 1 40 MET O O 4.921 10.392 2.901 1.00 . A A . 40 MET O 1 1 15 13331 1 1 40 MET SD S 6.803 10.421 7.469 1.00 . A A . 40 MET SD 1 1 15 13332 1 1 41 ALA C C 2.409 9.411 1.161 1.00 . A A . 41 ALA C 1 1 15 13333 1 1 41 ALA CA C 3.280 8.418 1.898 1.00 . A A . 41 ALA CA 1 1 15 13334 1 1 41 ALA CB C 2.654 7.092 1.766 1.00 . A A . 41 ALA CB 1 1 15 13335 1 1 41 ALA H H 2.990 8.213 3.972 1.00 . A A . 41 ALA H 1 1 15 13336 1 1 41 ALA HA H 4.248 8.364 1.429 1.00 . A A . 41 ALA HA 1 1 15 13337 1 1 41 ALA HB1 H 2.523 6.878 0.716 1.00 . A A . 41 ALA HB1 1 1 15 13338 1 1 41 ALA HB2 H 1.689 7.192 2.244 1.00 . A A . 41 ALA HB2 1 1 15 13339 1 1 41 ALA HB3 H 3.254 6.327 2.242 1.00 . A A . 41 ALA HB3 1 1 15 13340 1 1 41 ALA N N 3.490 8.733 3.307 1.00 . A A . 41 ALA N 1 1 15 13341 1 1 41 ALA O O 2.612 9.638 -0.017 1.00 . A A . 41 ALA O 1 1 15 13342 1 1 42 GLU C C 1.107 12.231 0.988 1.00 . A A . 42 GLU C 1 1 15 13343 1 1 42 GLU CA C 0.526 10.843 1.097 1.00 . A A . 42 GLU CA 1 1 15 13344 1 1 42 GLU CB C -0.864 10.867 1.727 1.00 . A A . 42 GLU CB 1 1 15 13345 1 1 42 GLU CD C -2.965 9.523 2.210 1.00 . A A . 42 GLU CD 1 1 15 13346 1 1 42 GLU CG C -1.521 9.492 1.779 1.00 . A A . 42 GLU CG 1 1 15 13347 1 1 42 GLU H H 1.285 9.898 2.784 1.00 . A A . 42 GLU H 1 1 15 13348 1 1 42 GLU HA H 0.445 10.422 0.106 1.00 . A A . 42 GLU HA 1 1 15 13349 1 1 42 GLU HB2 H -0.750 11.219 2.741 1.00 . A A . 42 GLU HB2 1 1 15 13350 1 1 42 GLU HB3 H -1.504 11.539 1.172 1.00 . A A . 42 GLU HB3 1 1 15 13351 1 1 42 GLU HG2 H -1.482 9.074 0.786 1.00 . A A . 42 GLU HG2 1 1 15 13352 1 1 42 GLU HG3 H -0.968 8.863 2.461 1.00 . A A . 42 GLU HG3 1 1 15 13353 1 1 42 GLU N N 1.426 9.982 1.817 1.00 . A A . 42 GLU N 1 1 15 13354 1 1 42 GLU O O 0.739 13.007 0.113 1.00 . A A . 42 GLU O 1 1 15 13355 1 1 42 GLU OE1 O -3.243 9.777 3.401 1.00 . A A . 42 GLU OE1 1 1 15 13356 1 1 42 GLU OE2 O -3.847 9.259 1.345 1.00 . A A . 42 GLU OE2 1 1 15 13357 1 1 43 ASN C C 3.902 13.899 1.001 1.00 . A A . 43 ASN C 1 1 15 13358 1 1 43 ASN CA C 2.645 13.841 1.856 1.00 . A A . 43 ASN CA 1 1 15 13359 1 1 43 ASN CB C 2.924 14.371 3.249 1.00 . A A . 43 ASN CB 1 1 15 13360 1 1 43 ASN CG C 1.679 14.830 3.993 1.00 . A A . 43 ASN CG 1 1 15 13361 1 1 43 ASN H H 2.160 11.881 2.597 1.00 . A A . 43 ASN H 1 1 15 13362 1 1 43 ASN HA H 1.931 14.512 1.398 1.00 . A A . 43 ASN HA 1 1 15 13363 1 1 43 ASN HB2 H 3.406 13.592 3.826 1.00 . A A . 43 ASN HB2 1 1 15 13364 1 1 43 ASN HB3 H 3.610 15.189 3.139 1.00 . A A . 43 ASN HB3 1 1 15 13365 1 1 43 ASN HD21 H 1.888 16.670 3.291 1.00 . A A . 43 ASN HD21 1 1 15 13366 1 1 43 ASN HD22 H 0.550 16.395 4.347 1.00 . A A . 43 ASN HD22 1 1 15 13367 1 1 43 ASN N N 2.009 12.549 1.889 1.00 . A A . 43 ASN N 1 1 15 13368 1 1 43 ASN ND2 N 1.340 16.084 3.855 1.00 . A A . 43 ASN ND2 1 1 15 13369 1 1 43 ASN O O 4.179 14.930 0.381 1.00 . A A . 43 ASN O 1 1 15 13370 1 1 43 ASN OD1 O 1.031 14.064 4.681 1.00 . A A . 43 ASN OD1 1 1 15 13371 1 1 44 GLU C C 6.125 11.550 -0.574 1.00 . A A . 44 GLU C 1 1 15 13372 1 1 44 GLU CA C 5.928 12.821 0.229 1.00 . A A . 44 GLU CA 1 1 15 13373 1 1 44 GLU CB C 7.083 13.021 1.222 1.00 . A A . 44 GLU CB 1 1 15 13374 1 1 44 GLU CD C 8.123 14.527 2.957 1.00 . A A . 44 GLU CD 1 1 15 13375 1 1 44 GLU CG C 7.036 14.358 1.939 1.00 . A A . 44 GLU CG 1 1 15 13376 1 1 44 GLU H H 4.326 11.976 1.333 1.00 . A A . 44 GLU H 1 1 15 13377 1 1 44 GLU HA H 5.907 13.665 -0.445 1.00 . A A . 44 GLU HA 1 1 15 13378 1 1 44 GLU HB2 H 7.035 12.243 1.969 1.00 . A A . 44 GLU HB2 1 1 15 13379 1 1 44 GLU HB3 H 8.019 12.950 0.686 1.00 . A A . 44 GLU HB3 1 1 15 13380 1 1 44 GLU HG2 H 7.142 15.148 1.213 1.00 . A A . 44 GLU HG2 1 1 15 13381 1 1 44 GLU HG3 H 6.075 14.456 2.427 1.00 . A A . 44 GLU HG3 1 1 15 13382 1 1 44 GLU N N 4.645 12.816 0.937 1.00 . A A . 44 GLU N 1 1 15 13383 1 1 44 GLU O O 5.398 10.583 -0.390 1.00 . A A . 44 GLU O 1 1 15 13384 1 1 44 GLU OE1 O 9.234 14.927 2.588 1.00 . A A . 44 GLU OE1 1 1 15 13385 1 1 44 GLU OE2 O 7.872 14.285 4.154 1.00 . A A . 44 GLU OE2 1 1 15 13386 1 1 45 ASP C C 7.747 9.222 -1.505 1.00 . A A . 45 ASP C 1 1 15 13387 1 1 45 ASP CA C 7.459 10.429 -2.340 1.00 . A A . 45 ASP CA 1 1 15 13388 1 1 45 ASP CB C 8.732 10.694 -3.176 1.00 . A A . 45 ASP CB 1 1 15 13389 1 1 45 ASP CG C 8.650 11.861 -4.118 1.00 . A A . 45 ASP CG 1 1 15 13390 1 1 45 ASP H H 7.649 12.381 -1.632 1.00 . A A . 45 ASP H 1 1 15 13391 1 1 45 ASP HA H 6.637 10.246 -3.014 1.00 . A A . 45 ASP HA 1 1 15 13392 1 1 45 ASP HB2 H 9.564 10.872 -2.511 1.00 . A A . 45 ASP HB2 1 1 15 13393 1 1 45 ASP HB3 H 8.931 9.794 -3.739 1.00 . A A . 45 ASP HB3 1 1 15 13394 1 1 45 ASP N N 7.115 11.578 -1.484 1.00 . A A . 45 ASP N 1 1 15 13395 1 1 45 ASP O O 8.508 9.293 -0.526 1.00 . A A . 45 ASP O 1 1 15 13396 1 1 45 ASP OD1 O 8.764 13.016 -3.653 1.00 . A A . 45 ASP OD1 1 1 15 13397 1 1 45 ASP OD2 O 8.512 11.655 -5.332 1.00 . A A . 45 ASP OD2 1 1 15 13398 1 1 46 TYR C C 8.201 5.917 -2.007 1.00 . A A . 46 TYR C 1 1 15 13399 1 1 46 TYR CA C 7.447 6.937 -1.160 1.00 . A A . 46 TYR CA 1 1 15 13400 1 1 46 TYR CB C 6.238 6.377 -0.426 1.00 . A A . 46 TYR CB 1 1 15 13401 1 1 46 TYR CD1 C 7.584 5.056 1.259 1.00 . A A . 46 TYR CD1 1 1 15 13402 1 1 46 TYR CD2 C 5.928 3.985 -0.019 1.00 . A A . 46 TYR CD2 1 1 15 13403 1 1 46 TYR CE1 C 7.909 3.861 1.878 1.00 . A A . 46 TYR CE1 1 1 15 13404 1 1 46 TYR CE2 C 6.235 2.783 0.565 1.00 . A A . 46 TYR CE2 1 1 15 13405 1 1 46 TYR CG C 6.569 5.112 0.301 1.00 . A A . 46 TYR CG 1 1 15 13406 1 1 46 TYR CZ C 7.231 2.723 1.522 1.00 . A A . 46 TYR CZ 1 1 15 13407 1 1 46 TYR H H 6.588 8.145 -2.658 1.00 . A A . 46 TYR H 1 1 15 13408 1 1 46 TYR HA H 8.178 7.195 -0.414 1.00 . A A . 46 TYR HA 1 1 15 13409 1 1 46 TYR HB2 H 5.897 7.105 0.296 1.00 . A A . 46 TYR HB2 1 1 15 13410 1 1 46 TYR HB3 H 5.455 6.164 -1.136 1.00 . A A . 46 TYR HB3 1 1 15 13411 1 1 46 TYR HD1 H 8.105 5.961 1.530 1.00 . A A . 46 TYR HD1 1 1 15 13412 1 1 46 TYR HD2 H 5.163 4.143 -0.753 1.00 . A A . 46 TYR HD2 1 1 15 13413 1 1 46 TYR HE1 H 8.691 3.828 2.624 1.00 . A A . 46 TYR HE1 1 1 15 13414 1 1 46 TYR HE2 H 5.683 1.898 0.280 1.00 . A A . 46 TYR HE2 1 1 15 13415 1 1 46 TYR HH H 7.556 1.570 3.070 1.00 . A A . 46 TYR HH 1 1 15 13416 1 1 46 TYR N N 7.183 8.126 -1.865 1.00 . A A . 46 TYR N 1 1 15 13417 1 1 46 TYR O O 7.778 5.513 -3.088 1.00 . A A . 46 TYR O 1 1 15 13418 1 1 46 TYR OH O 7.547 1.520 2.106 1.00 . A A . 46 TYR OH 1 1 15 13419 1 1 47 ILE C C 10.200 3.273 -1.435 1.00 . A A . 47 ILE C 1 1 15 13420 1 1 47 ILE CA C 10.215 4.605 -2.154 1.00 . A A . 47 ILE CA 1 1 15 13421 1 1 47 ILE CB C 11.667 5.169 -2.236 1.00 . A A . 47 ILE CB 1 1 15 13422 1 1 47 ILE CD1 C 11.187 6.486 -4.408 1.00 . A A . 47 ILE CD1 1 1 15 13423 1 1 47 ILE CG1 C 11.667 6.535 -2.963 1.00 . A A . 47 ILE CG1 1 1 15 13424 1 1 47 ILE CG2 C 12.597 4.183 -2.964 1.00 . A A . 47 ILE CG2 1 1 15 13425 1 1 47 ILE H H 9.314 5.926 -0.597 1.00 . A A . 47 ILE H 1 1 15 13426 1 1 47 ILE HA H 9.841 4.457 -3.157 1.00 . A A . 47 ILE HA 1 1 15 13427 1 1 47 ILE HB H 12.044 5.313 -1.232 1.00 . A A . 47 ILE HB 1 1 15 13428 1 1 47 ILE HD11 H 11.257 7.478 -4.831 1.00 . A A . 47 ILE HD11 1 1 15 13429 1 1 47 ILE HD12 H 10.167 6.130 -4.450 1.00 . A A . 47 ILE HD12 1 1 15 13430 1 1 47 ILE HD13 H 11.832 5.820 -4.962 1.00 . A A . 47 ILE HD13 1 1 15 13431 1 1 47 ILE HG12 H 10.995 7.194 -2.436 1.00 . A A . 47 ILE HG12 1 1 15 13432 1 1 47 ILE HG13 H 12.661 6.956 -2.946 1.00 . A A . 47 ILE HG13 1 1 15 13433 1 1 47 ILE HG21 H 12.592 3.220 -2.473 1.00 . A A . 47 ILE HG21 1 1 15 13434 1 1 47 ILE HG22 H 13.603 4.571 -2.952 1.00 . A A . 47 ILE HG22 1 1 15 13435 1 1 47 ILE HG23 H 12.263 4.067 -3.986 1.00 . A A . 47 ILE HG23 1 1 15 13436 1 1 47 ILE N N 9.322 5.518 -1.486 1.00 . A A . 47 ILE N 1 1 15 13437 1 1 47 ILE O O 10.399 3.215 -0.230 1.00 . A A . 47 ILE O 1 1 15 13438 1 1 48 CYS C C 11.309 0.315 -1.635 1.00 . A A . 48 CYS C 1 1 15 13439 1 1 48 CYS CA C 9.891 0.896 -1.569 1.00 . A A . 48 CYS CA 1 1 15 13440 1 1 48 CYS CB C 8.965 -0.025 -2.355 1.00 . A A . 48 CYS CB 1 1 15 13441 1 1 48 CYS H H 9.811 2.327 -3.131 1.00 . A A . 48 CYS H 1 1 15 13442 1 1 48 CYS HA H 9.561 0.979 -0.545 1.00 . A A . 48 CYS HA 1 1 15 13443 1 1 48 CYS HB2 H 8.730 -0.836 -1.677 1.00 . A A . 48 CYS HB2 1 1 15 13444 1 1 48 CYS HB3 H 8.040 0.469 -2.609 1.00 . A A . 48 CYS HB3 1 1 15 13445 1 1 48 CYS N N 9.942 2.207 -2.170 1.00 . A A . 48 CYS N 1 1 15 13446 1 1 48 CYS O O 12.171 0.894 -2.281 1.00 . A A . 48 CYS O 1 1 15 13447 1 1 48 CYS SG S 9.756 -0.732 -3.828 1.00 . A A . 48 CYS SG 1 1 15 13448 1 1 49 ILE C C 13.264 -1.968 -2.415 1.00 . A A . 49 ILE C 1 1 15 13449 1 1 49 ILE CA C 12.839 -1.454 -1.045 1.00 . A A . 49 ILE CA 1 1 15 13450 1 1 49 ILE CB C 12.933 -2.511 0.045 1.00 . A A . 49 ILE CB 1 1 15 13451 1 1 49 ILE CD1 C 12.469 -4.764 -1.061 1.00 . A A . 49 ILE CD1 1 1 15 13452 1 1 49 ILE CG1 C 11.982 -3.654 -0.149 1.00 . A A . 49 ILE CG1 1 1 15 13453 1 1 49 ILE CG2 C 12.631 -1.861 1.354 1.00 . A A . 49 ILE CG2 1 1 15 13454 1 1 49 ILE H H 10.833 -1.359 -0.595 1.00 . A A . 49 ILE H 1 1 15 13455 1 1 49 ILE HA H 13.500 -0.661 -0.757 1.00 . A A . 49 ILE HA 1 1 15 13456 1 1 49 ILE HB H 13.944 -2.879 0.066 1.00 . A A . 49 ILE HB 1 1 15 13457 1 1 49 ILE HD11 H 13.388 -5.166 -0.669 1.00 . A A . 49 ILE HD11 1 1 15 13458 1 1 49 ILE HD12 H 12.653 -4.360 -2.047 1.00 . A A . 49 ILE HD12 1 1 15 13459 1 1 49 ILE HD13 H 11.731 -5.551 -1.116 1.00 . A A . 49 ILE HD13 1 1 15 13460 1 1 49 ILE HG12 H 11.930 -3.968 0.868 1.00 . A A . 49 ILE HG12 1 1 15 13461 1 1 49 ILE HG13 H 11.023 -3.271 -0.468 1.00 . A A . 49 ILE HG13 1 1 15 13462 1 1 49 ILE HG21 H 13.351 -1.078 1.538 1.00 . A A . 49 ILE HG21 1 1 15 13463 1 1 49 ILE HG22 H 12.570 -2.594 2.145 1.00 . A A . 49 ILE HG22 1 1 15 13464 1 1 49 ILE HG23 H 11.663 -1.422 1.168 1.00 . A A . 49 ILE HG23 1 1 15 13465 1 1 49 ILE N N 11.532 -0.854 -1.053 1.00 . A A . 49 ILE N 1 1 15 13466 1 1 49 ILE O O 14.440 -1.973 -2.753 1.00 . A A . 49 ILE O 1 1 15 13467 1 1 50 ASN C C 12.961 -1.693 -5.469 1.00 . A A . 50 ASN C 1 1 15 13468 1 1 50 ASN CA C 12.494 -2.832 -4.585 1.00 . A A . 50 ASN CA 1 1 15 13469 1 1 50 ASN CB C 11.229 -3.452 -5.224 1.00 . A A . 50 ASN CB 1 1 15 13470 1 1 50 ASN CG C 10.731 -4.734 -4.578 1.00 . A A . 50 ASN CG 1 1 15 13471 1 1 50 ASN H H 11.393 -2.248 -2.790 1.00 . A A . 50 ASN H 1 1 15 13472 1 1 50 ASN HA H 13.273 -3.579 -4.545 1.00 . A A . 50 ASN HA 1 1 15 13473 1 1 50 ASN HB2 H 10.427 -2.731 -5.169 1.00 . A A . 50 ASN HB2 1 1 15 13474 1 1 50 ASN HB3 H 11.446 -3.640 -6.261 1.00 . A A . 50 ASN HB3 1 1 15 13475 1 1 50 ASN HD21 H 8.874 -4.397 -5.239 1.00 . A A . 50 ASN HD21 1 1 15 13476 1 1 50 ASN HD22 H 9.104 -5.833 -4.343 1.00 . A A . 50 ASN HD22 1 1 15 13477 1 1 50 ASN N N 12.274 -2.346 -3.206 1.00 . A A . 50 ASN N 1 1 15 13478 1 1 50 ASN ND2 N 9.457 -5.007 -4.729 1.00 . A A . 50 ASN ND2 1 1 15 13479 1 1 50 ASN O O 13.746 -1.882 -6.378 1.00 . A A . 50 ASN O 1 1 15 13480 1 1 50 ASN OD1 O 11.495 -5.490 -3.989 1.00 . A A . 50 ASN OD1 1 1 15 13481 1 1 51 CYS C C 14.139 1.289 -5.337 1.00 . A A . 51 CYS C 1 1 15 13482 1 1 51 CYS CA C 12.848 0.686 -5.928 1.00 . A A . 51 CYS CA 1 1 15 13483 1 1 51 CYS CB C 11.711 1.743 -5.915 1.00 . A A . 51 CYS CB 1 1 15 13484 1 1 51 CYS H H 11.830 -0.363 -4.457 1.00 . A A . 51 CYS H 1 1 15 13485 1 1 51 CYS HA H 13.029 0.382 -6.951 1.00 . A A . 51 CYS HA 1 1 15 13486 1 1 51 CYS HB2 H 11.377 1.942 -4.908 1.00 . A A . 51 CYS HB2 1 1 15 13487 1 1 51 CYS HB3 H 12.128 2.648 -6.328 1.00 . A A . 51 CYS HB3 1 1 15 13488 1 1 51 CYS N N 12.465 -0.496 -5.192 1.00 . A A . 51 CYS N 1 1 15 13489 1 1 51 CYS O O 14.747 2.180 -5.919 1.00 . A A . 51 CYS O 1 1 15 13490 1 1 51 CYS SG S 10.225 1.370 -6.915 1.00 . A A . 51 CYS SG 1 1 15 13491 1 1 52 ALA C C 16.850 0.234 -3.551 1.00 . A A . 52 ALA C 1 1 15 13492 1 1 52 ALA CA C 15.722 1.261 -3.510 1.00 . A A . 52 ALA CA 1 1 15 13493 1 1 52 ALA CB C 15.379 1.615 -2.067 1.00 . A A . 52 ALA CB 1 1 15 13494 1 1 52 ALA H H 14.019 0.033 -3.839 1.00 . A A . 52 ALA H 1 1 15 13495 1 1 52 ALA HA H 16.056 2.162 -4.003 1.00 . A A . 52 ALA HA 1 1 15 13496 1 1 52 ALA HB1 H 16.253 2.010 -1.571 1.00 . A A . 52 ALA HB1 1 1 15 13497 1 1 52 ALA HB2 H 15.054 0.721 -1.554 1.00 . A A . 52 ALA HB2 1 1 15 13498 1 1 52 ALA HB3 H 14.580 2.343 -2.046 1.00 . A A . 52 ALA HB3 1 1 15 13499 1 1 52 ALA N N 14.540 0.778 -4.200 1.00 . A A . 52 ALA N 1 1 15 13500 2 2 1 ALA C C 1.430 9.063 -4.016 1.00 . B B . 301 ALA C 1 1 15 13501 2 2 1 ALA CA C 2.932 9.139 -3.715 1.00 . B B . 301 ALA CA 1 1 15 13502 2 2 1 ALA CB C 3.330 8.013 -2.770 1.00 . B B . 301 ALA CB 1 1 15 13503 2 2 1 ALA HA H 3.471 9.014 -4.644 1.00 . B B . 301 ALA HA 1 1 15 13504 2 2 1 ALA HB1 H 4.391 8.064 -2.573 1.00 . B B . 301 ALA HB1 1 1 15 13505 2 2 1 ALA HB2 H 3.094 7.062 -3.231 1.00 . B B . 301 ALA HB2 1 1 15 13506 2 2 1 ALA HB3 H 2.779 8.114 -1.847 1.00 . B B . 301 ALA HB3 1 1 15 13507 2 2 1 ALA N N 3.303 10.473 -3.147 1.00 . B B . 301 ALA N 1 1 15 13508 2 2 1 ALA O O 0.667 9.993 -3.719 1.00 . B B . 301 ALA O 1 1 15 13509 2 2 2 ARG C C -0.966 6.708 -4.018 1.00 . B B . 302 ARG C 1 1 15 13510 2 2 2 ARG CA C -0.383 7.776 -4.934 1.00 . B B . 302 ARG CA 1 1 15 13511 2 2 2 ARG CB C -0.498 7.381 -6.413 1.00 . B B . 302 ARG CB 1 1 15 13512 2 2 2 ARG CD C -1.919 6.924 -8.425 1.00 . B B . 302 ARG CD 1 1 15 13513 2 2 2 ARG CG C -1.923 7.236 -6.934 1.00 . B B . 302 ARG CG 1 1 15 13514 2 2 2 ARG CZ C -3.623 6.914 -10.268 1.00 . B B . 302 ARG CZ 1 1 15 13515 2 2 2 ARG H H 1.655 7.254 -4.782 1.00 . B B . 302 ARG H 1 1 15 13516 2 2 2 ARG HA H -0.912 8.703 -4.761 1.00 . B B . 302 ARG HA 1 1 15 13517 2 2 2 ARG HB2 H -0.006 8.137 -7.006 1.00 . B B . 302 ARG HB2 1 1 15 13518 2 2 2 ARG HB3 H 0.014 6.442 -6.560 1.00 . B B . 302 ARG HB3 1 1 15 13519 2 2 2 ARG HD2 H -1.431 7.734 -8.945 1.00 . B B . 302 ARG HD2 1 1 15 13520 2 2 2 ARG HD3 H -1.349 6.020 -8.574 1.00 . B B . 302 ARG HD3 1 1 15 13521 2 2 2 ARG HE H -3.943 6.413 -8.330 1.00 . B B . 302 ARG HE 1 1 15 13522 2 2 2 ARG HG2 H -2.417 6.449 -6.388 1.00 . B B . 302 ARG HG2 1 1 15 13523 2 2 2 ARG HG3 H -2.449 8.164 -6.763 1.00 . B B . 302 ARG HG3 1 1 15 13524 2 2 2 ARG HH11 H -1.849 7.743 -10.852 1.00 . B B . 302 ARG HH11 1 1 15 13525 2 2 2 ARG HH12 H -2.983 7.601 -12.091 1.00 . B B . 302 ARG HH12 1 1 15 13526 2 2 2 ARG HH21 H -5.535 6.219 -10.052 1.00 . B B . 302 ARG HH21 1 1 15 13527 2 2 2 ARG HH22 H -5.149 6.722 -11.628 1.00 . B B . 302 ARG HH22 1 1 15 13528 2 2 2 ARG N N 1.005 7.964 -4.596 1.00 . B B . 302 ARG N 1 1 15 13529 2 2 2 ARG NE N -3.276 6.733 -8.976 1.00 . B B . 302 ARG NE 1 1 15 13530 2 2 2 ARG NH1 N -2.769 7.449 -11.122 1.00 . B B . 302 ARG NH1 1 1 15 13531 2 2 2 ARG NH2 N -4.847 6.596 -10.680 1.00 . B B . 302 ARG NH2 1 1 15 13532 2 2 2 ARG O O -0.401 5.619 -3.890 1.00 . B B . 302 ARG O 1 1 15 13533 2 2 3 THR C C -4.085 5.721 -2.901 1.00 . B B . 303 THR C 1 1 15 13534 2 2 3 THR CA C -2.689 6.122 -2.431 1.00 . B B . 303 THR CA 1 1 15 13535 2 2 3 THR CB C -2.739 6.717 -1.003 1.00 . B B . 303 THR CB 1 1 15 13536 2 2 3 THR CG2 C -1.340 6.766 -0.427 1.00 . B B . 303 THR CG2 1 1 15 13537 2 2 3 THR H H -2.479 7.911 -3.454 1.00 . B B . 303 THR H 1 1 15 13538 2 2 3 THR HA H -2.080 5.225 -2.393 1.00 . B B . 303 THR HA 1 1 15 13539 2 2 3 THR HB H -3.354 6.088 -0.376 1.00 . B B . 303 THR HB 1 1 15 13540 2 2 3 THR HG1 H -3.390 8.386 -0.119 1.00 . B B . 303 THR HG1 1 1 15 13541 2 2 3 THR HG21 H -0.934 5.766 -0.452 1.00 . B B . 303 THR HG21 1 1 15 13542 2 2 3 THR HG22 H -1.365 7.113 0.594 1.00 . B B . 303 THR HG22 1 1 15 13543 2 2 3 THR HG23 H -0.721 7.427 -1.016 1.00 . B B . 303 THR HG23 1 1 15 13544 2 2 3 THR N N -2.055 7.035 -3.353 1.00 . B B . 303 THR N 1 1 15 13545 2 2 3 THR O O -4.611 6.280 -3.870 1.00 . B B . 303 THR O 1 1 15 13546 2 2 3 THR OG1 O -3.311 8.050 -1.031 1.00 . B B . 303 THR OG1 1 1 15 13547 2 2 4 . C C -6.528 3.397 -1.410 1.00 . B B . 304 M3L C 1 1 15 13548 2 2 4 . CA C -6.006 4.226 -2.557 1.00 . B B . 304 M3L CA 1 1 15 13549 2 2 4 . CB C -5.947 3.336 -3.805 1.00 . B B . 304 M3L CB 1 1 15 13550 2 2 4 . CD C -4.767 1.400 -4.874 1.00 . B B . 304 M3L CD 1 1 15 13551 2 2 4 . CE C -5.942 0.550 -5.289 1.00 . B B . 304 M3L CE 1 1 15 13552 2 2 4 . CG C -4.983 2.223 -3.641 1.00 . B B . 304 M3L CG 1 1 15 13553 2 2 4 . CM1 C -4.360 -1.069 -6.347 1.00 . B B . 304 M3L CM1 1 1 15 13554 2 2 4 . CM2 C -5.440 0.680 -7.688 1.00 . B B . 304 M3L CM2 1 1 15 13555 2 2 4 . CM3 C -6.672 -1.211 -6.815 1.00 . B B . 304 M3L CM3 1 1 15 13556 2 2 4 . H H -4.180 4.302 -1.493 1.00 . B B . 304 M3L H 1 1 15 13557 2 2 4 . HA H -6.658 5.064 -2.751 1.00 . B B . 304 M3L HA 1 1 15 13558 2 2 4 . HB2 H -5.684 3.902 -4.686 1.00 . B B . 304 M3L HB2 1 1 15 13559 2 2 4 . HB3 H -6.910 2.858 -3.906 1.00 . B B . 304 M3L HB3 1 1 15 13560 2 2 4 . HD2 H -3.912 0.766 -4.681 1.00 . B B . 304 M3L HD2 1 1 15 13561 2 2 4 . HD3 H -4.520 2.076 -5.672 1.00 . B B . 304 M3L HD3 1 1 15 13562 2 2 4 . HE2 H -6.786 1.192 -5.493 1.00 . B B . 304 M3L HE2 1 1 15 13563 2 2 4 . HE3 H -6.182 -0.086 -4.451 1.00 . B B . 304 M3L HE3 1 1 15 13564 2 2 4 . HG2 H -5.376 1.597 -2.851 1.00 . B B . 304 M3L HG2 1 1 15 13565 2 2 4 . HG3 H -4.034 2.660 -3.361 1.00 . B B . 304 M3L HG3 1 1 15 13566 2 2 4 . HM11 H -4.406 -1.775 -5.525 1.00 . B B . 304 M3L HM11 1 1 15 13567 2 2 4 . HM12 H -3.483 -0.452 -6.202 1.00 . B B . 304 M3L HM12 1 1 15 13568 2 2 4 . HM13 H -4.106 -1.647 -7.223 1.00 . B B . 304 M3L HM13 1 1 15 13569 2 2 4 . HM21 H -4.568 1.310 -7.576 1.00 . B B . 304 M3L HM21 1 1 15 13570 2 2 4 . HM22 H -6.278 1.347 -7.823 1.00 . B B . 304 M3L HM22 1 1 15 13571 2 2 4 . HM23 H -5.322 0.157 -8.625 1.00 . B B . 304 M3L HM23 1 1 15 13572 2 2 4 . HM31 H -7.155 -1.039 -7.767 1.00 . B B . 304 M3L HM31 1 1 15 13573 2 2 4 . HM32 H -7.449 -1.163 -6.067 1.00 . B B . 304 M3L HM32 1 1 15 13574 2 2 4 . HM33 H -6.332 -2.237 -6.838 1.00 . B B . 304 M3L HM33 1 1 15 13575 2 2 4 . N N -4.663 4.731 -2.235 1.00 . B B . 304 M3L N 1 1 15 13576 2 2 4 . NZ N -5.604 -0.261 -6.534 1.00 . B B . 304 M3L NZ 1 1 15 13577 2 2 4 . O O -5.774 3.062 -0.490 1.00 . B B . 304 M3L O 1 1 15 13578 2 2 5 GLN C C -9.451 1.330 -1.193 1.00 . B B . 305 GLN C 1 1 15 13579 2 2 5 GLN CA C -8.422 2.217 -0.503 1.00 . B B . 305 GLN CA 1 1 15 13580 2 2 5 GLN CB C -9.077 3.071 0.580 1.00 . B B . 305 GLN CB 1 1 15 13581 2 2 5 GLN CD C -10.271 3.123 2.798 1.00 . B B . 305 GLN CD 1 1 15 13582 2 2 5 GLN CG C -9.647 2.268 1.726 1.00 . B B . 305 GLN CG 1 1 15 13583 2 2 5 GLN H H -8.328 3.377 -2.237 1.00 . B B . 305 GLN H 1 1 15 13584 2 2 5 GLN HA H -7.661 1.596 -0.059 1.00 . B B . 305 GLN HA 1 1 15 13585 2 2 5 GLN HB2 H -8.331 3.747 0.967 1.00 . B B . 305 GLN HB2 1 1 15 13586 2 2 5 GLN HB3 H -9.879 3.647 0.139 1.00 . B B . 305 GLN HB3 1 1 15 13587 2 2 5 GLN HE21 H -8.520 3.307 3.709 1.00 . B B . 305 GLN HE21 1 1 15 13588 2 2 5 GLN HE22 H -9.838 4.103 4.460 1.00 . B B . 305 GLN HE22 1 1 15 13589 2 2 5 GLN HG2 H -10.410 1.629 1.310 1.00 . B B . 305 GLN HG2 1 1 15 13590 2 2 5 GLN HG3 H -8.867 1.659 2.165 1.00 . B B . 305 GLN HG3 1 1 15 13591 2 2 5 GLN N N -7.788 3.050 -1.487 1.00 . B B . 305 GLN N 1 1 15 13592 2 2 5 GLN NE2 N -9.481 3.550 3.736 1.00 . B B . 305 GLN NE2 1 1 15 13593 2 2 5 GLN O O -10.435 1.816 -1.750 1.00 . B B . 305 GLN O 1 1 15 13594 2 2 5 GLN OE1 O -11.459 3.416 2.764 1.00 . B B . 305 GLN OE1 1 1 15 13595 2 2 6 THR C C -11.148 -1.415 -0.878 1.00 . B B . 306 THR C 1 1 15 13596 2 2 6 THR CA C -10.078 -0.906 -1.847 1.00 . B B . 306 THR CA 1 1 15 13597 2 2 6 THR CB C -9.260 -2.112 -2.365 1.00 . B B . 306 THR CB 1 1 15 13598 2 2 6 THR CG2 C -8.227 -1.689 -3.423 1.00 . B B . 306 THR CG2 1 1 15 13599 2 2 6 THR H H -8.425 -0.278 -0.685 1.00 . B B . 306 THR H 1 1 15 13600 2 2 6 THR HA H -10.540 -0.416 -2.689 1.00 . B B . 306 THR HA 1 1 15 13601 2 2 6 THR HB H -9.940 -2.835 -2.790 1.00 . B B . 306 THR HB 1 1 15 13602 2 2 6 THR HG1 H -9.221 -2.734 -0.529 1.00 . B B . 306 THR HG1 1 1 15 13603 2 2 6 THR HG21 H -7.531 -0.975 -3.005 1.00 . B B . 306 THR HG21 1 1 15 13604 2 2 6 THR HG22 H -8.701 -1.254 -4.289 1.00 . B B . 306 THR HG22 1 1 15 13605 2 2 6 THR HG23 H -7.615 -2.536 -3.715 1.00 . B B . 306 THR HG23 1 1 15 13606 2 2 6 THR N N -9.208 0.044 -1.181 1.00 . B B . 306 THR N 1 1 15 13607 2 2 6 THR O O -10.815 -1.915 0.215 1.00 . B B . 306 THR O 1 1 15 13608 2 2 6 THR OG1 O -8.576 -2.719 -1.251 1.00 . B B . 306 THR OG1 1 1 15 13609 2 2 7 ALA C C -13.826 -3.223 -0.820 1.00 . B B . 307 ALA C 1 1 15 13610 2 2 7 ALA CA C -13.482 -1.787 -0.427 1.00 . B B . 307 ALA CA 1 1 15 13611 2 2 7 ALA CB C -14.708 -0.869 -0.506 1.00 . B B . 307 ALA CB 1 1 15 13612 2 2 7 ALA H H -12.625 -0.858 -2.102 1.00 . B B . 307 ALA H 1 1 15 13613 2 2 7 ALA HA H -13.118 -1.812 0.589 1.00 . B B . 307 ALA HA 1 1 15 13614 2 2 7 ALA HB1 H -15.111 -0.859 -1.507 1.00 . B B . 307 ALA HB1 1 1 15 13615 2 2 7 ALA HB2 H -14.421 0.128 -0.200 1.00 . B B . 307 ALA HB2 1 1 15 13616 2 2 7 ALA HB3 H -15.452 -1.218 0.191 1.00 . B B . 307 ALA HB3 1 1 15 13617 2 2 7 ALA N N -12.399 -1.291 -1.253 1.00 . B B . 307 ALA N 1 1 15 13618 2 2 7 ALA O O -14.004 -3.533 -1.995 1.00 . B B . 307 ALA O 1 1 15 13619 2 2 8 ARG C C -15.370 -5.942 0.774 1.00 . B B . 308 ARG C 1 1 15 13620 2 2 8 ARG CA C -14.175 -5.502 -0.052 1.00 . B B . 308 ARG CA 1 1 15 13621 2 2 8 ARG CB C -12.939 -6.360 0.281 1.00 . B B . 308 ARG CB 1 1 15 13622 2 2 8 ARG CD C -11.957 -6.674 -2.066 1.00 . B B . 308 ARG CD 1 1 15 13623 2 2 8 ARG CG C -11.721 -6.153 -0.635 1.00 . B B . 308 ARG CG 1 1 15 13624 2 2 8 ARG CZ C -13.634 -6.402 -3.914 1.00 . B B . 308 ARG CZ 1 1 15 13625 2 2 8 ARG H H -13.768 -3.782 1.086 1.00 . B B . 308 ARG H 1 1 15 13626 2 2 8 ARG HA H -14.421 -5.639 -1.093 1.00 . B B . 308 ARG HA 1 1 15 13627 2 2 8 ARG HB2 H -12.632 -6.132 1.290 1.00 . B B . 308 ARG HB2 1 1 15 13628 2 2 8 ARG HB3 H -13.218 -7.401 0.246 1.00 . B B . 308 ARG HB3 1 1 15 13629 2 2 8 ARG HD2 H -11.039 -6.578 -2.620 1.00 . B B . 308 ARG HD2 1 1 15 13630 2 2 8 ARG HD3 H -12.217 -7.722 -2.005 1.00 . B B . 308 ARG HD3 1 1 15 13631 2 2 8 ARG HE H -13.298 -5.087 -2.428 1.00 . B B . 308 ARG HE 1 1 15 13632 2 2 8 ARG HG2 H -11.502 -5.098 -0.690 1.00 . B B . 308 ARG HG2 1 1 15 13633 2 2 8 ARG HG3 H -10.869 -6.666 -0.212 1.00 . B B . 308 ARG HG3 1 1 15 13634 2 2 8 ARG HH11 H -12.550 -8.131 -4.074 1.00 . B B . 308 ARG HH11 1 1 15 13635 2 2 8 ARG HH12 H -13.714 -7.901 -5.305 1.00 . B B . 308 ARG HH12 1 1 15 13636 2 2 8 ARG HH21 H -14.908 -4.797 -4.088 1.00 . B B . 308 ARG HH21 1 1 15 13637 2 2 8 ARG HH22 H -15.101 -5.980 -5.291 1.00 . B B . 308 ARG HH22 1 1 15 13638 2 2 8 ARG N N -13.894 -4.093 0.159 1.00 . B B . 308 ARG N 1 1 15 13639 2 2 8 ARG NE N -13.025 -5.961 -2.803 1.00 . B B . 308 ARG NE 1 1 15 13640 2 2 8 ARG NH1 N -13.274 -7.562 -4.466 1.00 . B B . 308 ARG NH1 1 1 15 13641 2 2 8 ARG NH2 N -14.608 -5.680 -4.471 1.00 . B B . 308 ARG NH2 1 1 15 13642 2 2 8 ARG O O -15.320 -5.952 1.999 1.00 . B B . 308 ARG O 1 1 15 13643 2 2 9 LYS C C -17.527 -8.203 1.244 1.00 . B B . 309 LYS C 1 1 15 13644 2 2 9 LYS CA C -17.659 -6.745 0.784 1.00 . B B . 309 LYS CA 1 1 15 13645 2 2 9 LYS CB C -18.876 -6.580 -0.131 1.00 . B B . 309 LYS CB 1 1 15 13646 2 2 9 LYS CD C -20.338 -5.056 -1.487 1.00 . B B . 309 LYS CD 1 1 15 13647 2 2 9 LYS CE C -20.621 -3.612 -1.874 1.00 . B B . 309 LYS CE 1 1 15 13648 2 2 9 LYS CG C -19.132 -5.151 -0.566 1.00 . B B . 309 LYS CG 1 1 15 13649 2 2 9 LYS H H -16.414 -6.267 -0.879 1.00 . B B . 309 LYS H 1 1 15 13650 2 2 9 LYS HA H -17.789 -6.121 1.657 1.00 . B B . 309 LYS HA 1 1 15 13651 2 2 9 LYS HB2 H -18.733 -7.182 -1.014 1.00 . B B . 309 LYS HB2 1 1 15 13652 2 2 9 LYS HB3 H -19.747 -6.932 0.406 1.00 . B B . 309 LYS HB3 1 1 15 13653 2 2 9 LYS HD2 H -20.145 -5.628 -2.381 1.00 . B B . 309 LYS HD2 1 1 15 13654 2 2 9 LYS HD3 H -21.200 -5.458 -0.978 1.00 . B B . 309 LYS HD3 1 1 15 13655 2 2 9 LYS HE2 H -20.834 -3.033 -0.987 1.00 . B B . 309 LYS HE2 1 1 15 13656 2 2 9 LYS HE3 H -19.737 -3.216 -2.348 1.00 . B B . 309 LYS HE3 1 1 15 13657 2 2 9 LYS HG2 H -19.307 -4.551 0.314 1.00 . B B . 309 LYS HG2 1 1 15 13658 2 2 9 LYS HG3 H -18.260 -4.771 -1.081 1.00 . B B . 309 LYS HG3 1 1 15 13659 2 2 9 LYS HZ1 H -21.573 -3.946 -3.710 1.00 . B B . 309 LYS HZ1 1 1 15 13660 2 2 9 LYS HZ2 H -21.988 -2.496 -2.992 1.00 . B B . 309 LYS HZ2 1 1 15 13661 2 2 9 LYS HZ3 H -22.640 -3.906 -2.415 1.00 . B B . 309 LYS HZ3 1 1 15 13662 2 2 9 LYS N N -16.440 -6.296 0.103 1.00 . B B . 309 LYS N 1 1 15 13663 2 2 9 LYS NZ N -21.768 -3.492 -2.799 1.00 . B B . 309 LYS NZ 1 1 15 13664 3 3 1 ZN ZN ZN 8.794 -0.034 -5.796 1.00 . C A . 53 ZN ZN 1 1 15 13665 4 3 1 ZN ZN ZN 0.507 -5.718 1.640 1.00 . D A . 54 ZN ZN 1 1 16 13666 1 1 1 SER C C -5.625 -8.098 -1.218 1.00 . A A . 1 SER C 1 1 16 13667 1 1 1 SER CA C -7.086 -7.860 -1.670 1.00 . A A . 1 SER CA 1 1 16 13668 1 1 1 SER CB C -7.714 -9.145 -2.261 1.00 . A A . 1 SER CB 1 1 16 13669 1 1 1 SER HA H -7.648 -7.542 -0.803 1.00 . A A . 1 SER HA 1 1 16 13670 1 1 1 SER HB2 H -7.151 -9.465 -3.127 1.00 . A A . 1 SER HB2 1 1 16 13671 1 1 1 SER HB3 H -7.696 -9.919 -1.507 1.00 . A A . 1 SER HB3 1 1 16 13672 1 1 1 SER HG H -9.458 -9.781 -2.866 1.00 . A A . 1 SER HG 1 1 16 13673 1 1 1 SER N N -7.155 -6.748 -2.656 1.00 . A A . 1 SER N 1 1 16 13674 1 1 1 SER O O -5.242 -7.730 -0.085 1.00 . A A . 1 SER O 1 1 16 13675 1 1 1 SER OG O -9.072 -8.920 -2.654 1.00 . A A . 1 SER OG 1 1 16 13676 1 1 2 VAL C C -2.583 -7.967 -2.688 1.00 . A A . 2 VAL C 1 1 16 13677 1 1 2 VAL CA C -3.404 -8.905 -1.820 1.00 . A A . 2 VAL CA 1 1 16 13678 1 1 2 VAL CB C -2.966 -10.370 -2.111 1.00 . A A . 2 VAL CB 1 1 16 13679 1 1 2 VAL CG1 C -1.530 -10.628 -1.603 1.00 . A A . 2 VAL CG1 1 1 16 13680 1 1 2 VAL CG2 C -3.951 -11.361 -1.517 1.00 . A A . 2 VAL CG2 1 1 16 13681 1 1 2 VAL H H -5.125 -8.912 -2.996 1.00 . A A . 2 VAL H 1 1 16 13682 1 1 2 VAL HA H -3.238 -8.677 -0.778 1.00 . A A . 2 VAL HA 1 1 16 13683 1 1 2 VAL HB H -2.957 -10.488 -3.185 1.00 . A A . 2 VAL HB 1 1 16 13684 1 1 2 VAL HG11 H -0.835 -9.988 -2.126 1.00 . A A . 2 VAL HG11 1 1 16 13685 1 1 2 VAL HG12 H -1.250 -11.658 -1.757 1.00 . A A . 2 VAL HG12 1 1 16 13686 1 1 2 VAL HG13 H -1.466 -10.406 -0.544 1.00 . A A . 2 VAL HG13 1 1 16 13687 1 1 2 VAL HG21 H -3.617 -12.371 -1.701 1.00 . A A . 2 VAL HG21 1 1 16 13688 1 1 2 VAL HG22 H -4.920 -11.218 -1.973 1.00 . A A . 2 VAL HG22 1 1 16 13689 1 1 2 VAL HG23 H -4.037 -11.190 -0.454 1.00 . A A . 2 VAL HG23 1 1 16 13690 1 1 2 VAL N N -4.807 -8.663 -2.103 1.00 . A A . 2 VAL N 1 1 16 13691 1 1 2 VAL O O -2.952 -7.692 -3.817 1.00 . A A . 2 VAL O 1 1 16 13692 1 1 3 CYS C C 0.664 -7.216 -3.037 1.00 . A A . 3 CYS C 1 1 16 13693 1 1 3 CYS CA C -0.685 -6.536 -2.867 1.00 . A A . 3 CYS CA 1 1 16 13694 1 1 3 CYS CB C -0.481 -5.283 -2.072 1.00 . A A . 3 CYS CB 1 1 16 13695 1 1 3 CYS H H -1.235 -7.764 -1.269 1.00 . A A . 3 CYS H 1 1 16 13696 1 1 3 CYS HA H -1.124 -6.311 -3.826 1.00 . A A . 3 CYS HA 1 1 16 13697 1 1 3 CYS HB2 H -0.211 -4.489 -2.751 1.00 . A A . 3 CYS HB2 1 1 16 13698 1 1 3 CYS HB3 H -1.389 -5.018 -1.563 1.00 . A A . 3 CYS HB3 1 1 16 13699 1 1 3 CYS N N -1.522 -7.463 -2.154 1.00 . A A . 3 CYS N 1 1 16 13700 1 1 3 CYS O O 0.859 -8.332 -2.519 1.00 . A A . 3 CYS O 1 1 16 13701 1 1 3 CYS SG S 0.817 -5.435 -0.856 1.00 . A A . 3 CYS SG 1 1 16 13702 1 1 4 ALA C C 3.895 -6.639 -2.875 1.00 . A A . 4 ALA C 1 1 16 13703 1 1 4 ALA CA C 2.903 -7.221 -3.897 1.00 . A A . 4 ALA CA 1 1 16 13704 1 1 4 ALA CB C 3.412 -6.995 -5.311 1.00 . A A . 4 ALA CB 1 1 16 13705 1 1 4 ALA H H 1.610 -5.669 -4.041 1.00 . A A . 4 ALA H 1 1 16 13706 1 1 4 ALA HA H 2.789 -8.279 -3.714 1.00 . A A . 4 ALA HA 1 1 16 13707 1 1 4 ALA HB1 H 3.516 -5.929 -5.473 1.00 . A A . 4 ALA HB1 1 1 16 13708 1 1 4 ALA HB2 H 2.704 -7.397 -6.018 1.00 . A A . 4 ALA HB2 1 1 16 13709 1 1 4 ALA HB3 H 4.372 -7.476 -5.440 1.00 . A A . 4 ALA HB3 1 1 16 13710 1 1 4 ALA N N 1.587 -6.596 -3.711 1.00 . A A . 4 ALA N 1 1 16 13711 1 1 4 ALA O O 4.471 -5.598 -3.101 1.00 . A A . 4 ALA O 1 1 16 13712 1 1 5 ALA C C 5.671 -7.916 0.055 1.00 . A A . 5 ALA C 1 1 16 13713 1 1 5 ALA CA C 4.886 -6.801 -0.652 1.00 . A A . 5 ALA CA 1 1 16 13714 1 1 5 ALA CB C 4.096 -5.921 0.330 1.00 . A A . 5 ALA CB 1 1 16 13715 1 1 5 ALA H H 3.602 -8.171 -1.654 1.00 . A A . 5 ALA H 1 1 16 13716 1 1 5 ALA HA H 5.621 -6.178 -1.145 1.00 . A A . 5 ALA HA 1 1 16 13717 1 1 5 ALA HB1 H 3.604 -5.135 -0.224 1.00 . A A . 5 ALA HB1 1 1 16 13718 1 1 5 ALA HB2 H 4.751 -5.484 1.069 1.00 . A A . 5 ALA HB2 1 1 16 13719 1 1 5 ALA HB3 H 3.344 -6.487 0.848 1.00 . A A . 5 ALA HB3 1 1 16 13720 1 1 5 ALA N N 4.055 -7.306 -1.750 1.00 . A A . 5 ALA N 1 1 16 13721 1 1 5 ALA O O 5.431 -9.088 -0.166 1.00 . A A . 5 ALA O 1 1 16 13722 1 1 6 GLN C C 7.128 -9.007 2.901 1.00 . A A . 6 GLN C 1 1 16 13723 1 1 6 GLN CA C 7.546 -8.472 1.534 1.00 . A A . 6 GLN CA 1 1 16 13724 1 1 6 GLN CB C 8.994 -7.973 1.548 1.00 . A A . 6 GLN CB 1 1 16 13725 1 1 6 GLN CD C 11.078 -7.517 0.189 1.00 . A A . 6 GLN CD 1 1 16 13726 1 1 6 GLN CG C 9.584 -7.779 0.162 1.00 . A A . 6 GLN CG 1 1 16 13727 1 1 6 GLN H H 6.216 -6.632 1.178 1.00 . A A . 6 GLN H 1 1 16 13728 1 1 6 GLN HA H 7.493 -9.336 0.884 1.00 . A A . 6 GLN HA 1 1 16 13729 1 1 6 GLN HB2 H 9.037 -7.033 2.081 1.00 . A A . 6 GLN HB2 1 1 16 13730 1 1 6 GLN HB3 H 9.602 -8.694 2.078 1.00 . A A . 6 GLN HB3 1 1 16 13731 1 1 6 GLN HE21 H 11.294 -8.418 -1.571 1.00 . A A . 6 GLN HE21 1 1 16 13732 1 1 6 GLN HE22 H 12.726 -7.785 -0.852 1.00 . A A . 6 GLN HE22 1 1 16 13733 1 1 6 GLN HG2 H 9.398 -8.664 -0.424 1.00 . A A . 6 GLN HG2 1 1 16 13734 1 1 6 GLN HG3 H 9.097 -6.937 -0.310 1.00 . A A . 6 GLN HG3 1 1 16 13735 1 1 6 GLN N N 6.574 -7.510 0.945 1.00 . A A . 6 GLN N 1 1 16 13736 1 1 6 GLN NE2 N 11.760 -7.952 -0.848 1.00 . A A . 6 GLN NE2 1 1 16 13737 1 1 6 GLN O O 7.676 -9.992 3.380 1.00 . A A . 6 GLN O 1 1 16 13738 1 1 6 GLN OE1 O 11.613 -6.943 1.136 1.00 . A A . 6 GLN OE1 1 1 16 13739 1 1 7 ASN C C 4.169 -8.878 4.807 1.00 . A A . 7 ASN C 1 1 16 13740 1 1 7 ASN CA C 5.700 -8.859 4.823 1.00 . A A . 7 ASN CA 1 1 16 13741 1 1 7 ASN CB C 6.243 -7.950 5.960 1.00 . A A . 7 ASN CB 1 1 16 13742 1 1 7 ASN CG C 6.120 -8.562 7.366 1.00 . A A . 7 ASN CG 1 1 16 13743 1 1 7 ASN H H 5.800 -7.552 3.139 1.00 . A A . 7 ASN H 1 1 16 13744 1 1 7 ASN HA H 6.063 -9.868 4.953 1.00 . A A . 7 ASN HA 1 1 16 13745 1 1 7 ASN HB2 H 7.280 -7.720 5.766 1.00 . A A . 7 ASN HB2 1 1 16 13746 1 1 7 ASN HB3 H 5.683 -7.028 5.950 1.00 . A A . 7 ASN HB3 1 1 16 13747 1 1 7 ASN HD21 H 4.374 -7.682 7.660 1.00 . A A . 7 ASN HD21 1 1 16 13748 1 1 7 ASN HD22 H 4.957 -8.660 8.958 1.00 . A A . 7 ASN HD22 1 1 16 13749 1 1 7 ASN N N 6.173 -8.368 3.527 1.00 . A A . 7 ASN N 1 1 16 13750 1 1 7 ASN ND2 N 5.046 -8.271 8.065 1.00 . A A . 7 ASN ND2 1 1 16 13751 1 1 7 ASN O O 3.514 -9.005 5.827 1.00 . A A . 7 ASN O 1 1 16 13752 1 1 7 ASN OD1 O 7.014 -9.282 7.817 1.00 . A A . 7 ASN OD1 1 1 16 13753 1 1 8 CYS C C 1.418 -9.844 3.972 1.00 . A A . 8 CYS C 1 1 16 13754 1 1 8 CYS CA C 2.175 -8.671 3.424 1.00 . A A . 8 CYS CA 1 1 16 13755 1 1 8 CYS CB C 1.763 -8.477 1.970 1.00 . A A . 8 CYS CB 1 1 16 13756 1 1 8 CYS H H 4.227 -8.513 2.872 1.00 . A A . 8 CYS H 1 1 16 13757 1 1 8 CYS HA H 1.793 -7.829 3.972 1.00 . A A . 8 CYS HA 1 1 16 13758 1 1 8 CYS HB2 H 2.370 -7.838 1.361 1.00 . A A . 8 CYS HB2 1 1 16 13759 1 1 8 CYS HB3 H 1.803 -9.454 1.515 1.00 . A A . 8 CYS HB3 1 1 16 13760 1 1 8 CYS N N 3.620 -8.729 3.607 1.00 . A A . 8 CYS N 1 1 16 13761 1 1 8 CYS O O 1.756 -11.018 3.755 1.00 . A A . 8 CYS O 1 1 16 13762 1 1 8 CYS SG S 0.064 -7.962 1.795 1.00 . A A . 8 CYS SG 1 1 16 13763 1 1 9 GLN C C -1.870 -9.963 4.523 1.00 . A A . 9 GLN C 1 1 16 13764 1 1 9 GLN CA C -0.565 -10.387 5.176 1.00 . A A . 9 GLN CA 1 1 16 13765 1 1 9 GLN CB C -0.661 -10.204 6.694 1.00 . A A . 9 GLN CB 1 1 16 13766 1 1 9 GLN CD C 0.556 -10.100 8.910 1.00 . A A . 9 GLN CD 1 1 16 13767 1 1 9 GLN CG C 0.685 -10.304 7.413 1.00 . A A . 9 GLN CG 1 1 16 13768 1 1 9 GLN H H 0.081 -8.579 4.823 1.00 . A A . 9 GLN H 1 1 16 13769 1 1 9 GLN HA H -0.302 -11.403 4.926 1.00 . A A . 9 GLN HA 1 1 16 13770 1 1 9 GLN HB2 H -1.081 -9.228 6.897 1.00 . A A . 9 GLN HB2 1 1 16 13771 1 1 9 GLN HB3 H -1.322 -10.957 7.091 1.00 . A A . 9 GLN HB3 1 1 16 13772 1 1 9 GLN HE21 H 0.425 -12.046 9.196 1.00 . A A . 9 GLN HE21 1 1 16 13773 1 1 9 GLN HE22 H 0.342 -11.075 10.618 1.00 . A A . 9 GLN HE22 1 1 16 13774 1 1 9 GLN HG2 H 1.122 -11.273 7.217 1.00 . A A . 9 GLN HG2 1 1 16 13775 1 1 9 GLN HG3 H 1.336 -9.543 7.011 1.00 . A A . 9 GLN HG3 1 1 16 13776 1 1 9 GLN N N 0.369 -9.498 4.646 1.00 . A A . 9 GLN N 1 1 16 13777 1 1 9 GLN NE2 N 0.430 -11.172 9.644 1.00 . A A . 9 GLN NE2 1 1 16 13778 1 1 9 GLN O O -2.211 -8.776 4.547 1.00 . A A . 9 GLN O 1 1 16 13779 1 1 9 GLN OE1 O 0.621 -8.982 9.398 1.00 . A A . 9 GLN OE1 1 1 16 13780 1 1 10 ARG C C -4.890 -10.407 4.174 1.00 . A A . 10 ARG C 1 1 16 13781 1 1 10 ARG CA C -3.761 -10.730 3.177 1.00 . A A . 10 ARG CA 1 1 16 13782 1 1 10 ARG CB C -4.057 -12.081 2.476 1.00 . A A . 10 ARG CB 1 1 16 13783 1 1 10 ARG CD C -3.051 -14.039 1.179 1.00 . A A . 10 ARG CD 1 1 16 13784 1 1 10 ARG CG C -2.842 -12.623 1.714 1.00 . A A . 10 ARG CG 1 1 16 13785 1 1 10 ARG CZ C -1.641 -15.822 0.081 1.00 . A A . 10 ARG CZ 1 1 16 13786 1 1 10 ARG H H -2.202 -11.802 3.874 1.00 . A A . 10 ARG H 1 1 16 13787 1 1 10 ARG HA H -3.659 -9.966 2.425 1.00 . A A . 10 ARG HA 1 1 16 13788 1 1 10 ARG HB2 H -4.347 -12.800 3.225 1.00 . A A . 10 ARG HB2 1 1 16 13789 1 1 10 ARG HB3 H -4.868 -11.955 1.776 1.00 . A A . 10 ARG HB3 1 1 16 13790 1 1 10 ARG HD2 H -3.374 -14.677 1.987 1.00 . A A . 10 ARG HD2 1 1 16 13791 1 1 10 ARG HD3 H -3.798 -14.020 0.400 1.00 . A A . 10 ARG HD3 1 1 16 13792 1 1 10 ARG HE H -1.028 -13.966 0.681 1.00 . A A . 10 ARG HE 1 1 16 13793 1 1 10 ARG HG2 H -2.638 -11.963 0.884 1.00 . A A . 10 ARG HG2 1 1 16 13794 1 1 10 ARG HG3 H -1.993 -12.623 2.378 1.00 . A A . 10 ARG HG3 1 1 16 13795 1 1 10 ARG HH11 H -3.566 -16.466 0.438 1.00 . A A . 10 ARG HH11 1 1 16 13796 1 1 10 ARG HH12 H -2.586 -17.591 -0.365 1.00 . A A . 10 ARG HH12 1 1 16 13797 1 1 10 ARG HH21 H 0.364 -15.616 -0.398 1.00 . A A . 10 ARG HH21 1 1 16 13798 1 1 10 ARG HH22 H -0.317 -17.117 -0.788 1.00 . A A . 10 ARG HH22 1 1 16 13799 1 1 10 ARG N N -2.524 -10.898 3.897 1.00 . A A . 10 ARG N 1 1 16 13800 1 1 10 ARG NE N -1.792 -14.589 0.622 1.00 . A A . 10 ARG NE 1 1 16 13801 1 1 10 ARG NH1 N -2.663 -16.683 0.057 1.00 . A A . 10 ARG NH1 1 1 16 13802 1 1 10 ARG NH2 N -0.451 -16.199 -0.401 1.00 . A A . 10 ARG NH2 1 1 16 13803 1 1 10 ARG O O -5.317 -11.268 4.942 1.00 . A A . 10 ARG O 1 1 16 13804 1 1 11 PRO C C -7.780 -8.896 4.470 1.00 . A A . 11 PRO C 1 1 16 13805 1 1 11 PRO CA C -6.395 -8.721 5.100 1.00 . A A . 11 PRO CA 1 1 16 13806 1 1 11 PRO CB C -6.083 -7.235 5.331 1.00 . A A . 11 PRO CB 1 1 16 13807 1 1 11 PRO CD C -4.813 -8.047 3.404 1.00 . A A . 11 PRO CD 1 1 16 13808 1 1 11 PRO CG C -5.243 -6.800 4.159 1.00 . A A . 11 PRO CG 1 1 16 13809 1 1 11 PRO HA H -6.366 -9.249 6.041 1.00 . A A . 11 PRO HA 1 1 16 13810 1 1 11 PRO HB2 H -7.005 -6.677 5.386 1.00 . A A . 11 PRO HB2 1 1 16 13811 1 1 11 PRO HB3 H -5.553 -7.120 6.263 1.00 . A A . 11 PRO HB3 1 1 16 13812 1 1 11 PRO HD2 H -5.210 -8.106 2.404 1.00 . A A . 11 PRO HD2 1 1 16 13813 1 1 11 PRO HD3 H -3.735 -8.092 3.374 1.00 . A A . 11 PRO HD3 1 1 16 13814 1 1 11 PRO HG2 H -5.834 -6.166 3.514 1.00 . A A . 11 PRO HG2 1 1 16 13815 1 1 11 PRO HG3 H -4.381 -6.255 4.515 1.00 . A A . 11 PRO HG3 1 1 16 13816 1 1 11 PRO N N -5.333 -9.146 4.207 1.00 . A A . 11 PRO N 1 1 16 13817 1 1 11 PRO O O -8.611 -9.633 4.983 1.00 . A A . 11 PRO O 1 1 16 13818 1 1 12 CYS C C -10.478 -7.765 3.343 1.00 . A A . 12 CYS C 1 1 16 13819 1 1 12 CYS CA C -9.235 -8.240 2.560 1.00 . A A . 12 CYS CA 1 1 16 13820 1 1 12 CYS CB C -9.434 -9.658 1.996 1.00 . A A . 12 CYS CB 1 1 16 13821 1 1 12 CYS H H -7.303 -7.575 3.060 1.00 . A A . 12 CYS H 1 1 16 13822 1 1 12 CYS HA H -9.072 -7.554 1.738 1.00 . A A . 12 CYS HA 1 1 16 13823 1 1 12 CYS HB2 H -9.587 -10.339 2.822 1.00 . A A . 12 CYS HB2 1 1 16 13824 1 1 12 CYS HB3 H -10.310 -9.661 1.364 1.00 . A A . 12 CYS HB3 1 1 16 13825 1 1 12 CYS HG H -8.373 -11.523 0.689 1.00 . A A . 12 CYS HG 1 1 16 13826 1 1 12 CYS N N -8.007 -8.177 3.365 1.00 . A A . 12 CYS N 1 1 16 13827 1 1 12 CYS O O -11.607 -8.035 2.930 1.00 . A A . 12 CYS O 1 1 16 13828 1 1 12 CYS SG S -8.037 -10.287 1.031 1.00 . A A . 12 CYS SG 1 1 16 13829 1 1 13 LYS C C -12.144 -5.475 4.350 1.00 . A A . 13 LYS C 1 1 16 13830 1 1 13 LYS CA C -11.318 -6.421 5.240 1.00 . A A . 13 LYS CA 1 1 16 13831 1 1 13 LYS CB C -10.798 -5.655 6.473 1.00 . A A . 13 LYS CB 1 1 16 13832 1 1 13 LYS CD C -9.937 -5.683 8.847 1.00 . A A . 13 LYS CD 1 1 16 13833 1 1 13 LYS CE C -8.801 -4.681 8.685 1.00 . A A . 13 LYS CE 1 1 16 13834 1 1 13 LYS CG C -10.200 -6.518 7.583 1.00 . A A . 13 LYS CG 1 1 16 13835 1 1 13 LYS H H -9.317 -7.227 4.774 1.00 . A A . 13 LYS H 1 1 16 13836 1 1 13 LYS HA H -11.982 -7.203 5.572 1.00 . A A . 13 LYS HA 1 1 16 13837 1 1 13 LYS HB2 H -10.029 -4.968 6.150 1.00 . A A . 13 LYS HB2 1 1 16 13838 1 1 13 LYS HB3 H -11.619 -5.087 6.881 1.00 . A A . 13 LYS HB3 1 1 16 13839 1 1 13 LYS HD2 H -10.836 -5.124 9.064 1.00 . A A . 13 LYS HD2 1 1 16 13840 1 1 13 LYS HD3 H -9.718 -6.341 9.676 1.00 . A A . 13 LYS HD3 1 1 16 13841 1 1 13 LYS HE2 H -8.952 -4.114 7.779 1.00 . A A . 13 LYS HE2 1 1 16 13842 1 1 13 LYS HE3 H -8.832 -4.012 9.533 1.00 . A A . 13 LYS HE3 1 1 16 13843 1 1 13 LYS HG2 H -10.882 -7.324 7.809 1.00 . A A . 13 LYS HG2 1 1 16 13844 1 1 13 LYS HG3 H -9.263 -6.928 7.235 1.00 . A A . 13 LYS HG3 1 1 16 13845 1 1 13 LYS HZ1 H -6.709 -4.646 8.508 1.00 . A A . 13 LYS HZ1 1 1 16 13846 1 1 13 LYS HZ2 H -7.389 -6.066 7.899 1.00 . A A . 13 LYS HZ2 1 1 16 13847 1 1 13 LYS HZ3 H -7.296 -5.829 9.534 1.00 . A A . 13 LYS HZ3 1 1 16 13848 1 1 13 LYS N N -10.241 -7.094 4.487 1.00 . A A . 13 LYS N 1 1 16 13849 1 1 13 LYS NZ N -7.476 -5.340 8.635 1.00 . A A . 13 LYS NZ 1 1 16 13850 1 1 13 LYS O O -11.766 -5.186 3.209 1.00 . A A . 13 LYS O 1 1 16 13851 1 1 14 ASP C C -13.569 -3.001 3.406 1.00 . A A . 14 ASP C 1 1 16 13852 1 1 14 ASP CA C -14.220 -4.124 4.203 1.00 . A A . 14 ASP CA 1 1 16 13853 1 1 14 ASP CB C -15.274 -3.570 5.164 1.00 . A A . 14 ASP CB 1 1 16 13854 1 1 14 ASP CG C -16.167 -4.647 5.745 1.00 . A A . 14 ASP CG 1 1 16 13855 1 1 14 ASP H H -13.422 -5.141 5.866 1.00 . A A . 14 ASP H 1 1 16 13856 1 1 14 ASP HA H -14.719 -4.765 3.490 1.00 . A A . 14 ASP HA 1 1 16 13857 1 1 14 ASP HB2 H -14.781 -3.054 5.975 1.00 . A A . 14 ASP HB2 1 1 16 13858 1 1 14 ASP HB3 H -15.887 -2.871 4.620 1.00 . A A . 14 ASP HB3 1 1 16 13859 1 1 14 ASP N N -13.243 -4.968 4.918 1.00 . A A . 14 ASP N 1 1 16 13860 1 1 14 ASP O O -13.970 -2.748 2.285 1.00 . A A . 14 ASP O 1 1 16 13861 1 1 14 ASP OD1 O -15.671 -5.467 6.544 1.00 . A A . 14 ASP OD1 1 1 16 13862 1 1 14 ASP OD2 O -17.380 -4.680 5.427 1.00 . A A . 14 ASP OD2 1 1 16 13863 1 1 15 LYS C C -10.395 -1.221 3.953 1.00 . A A . 15 LYS C 1 1 16 13864 1 1 15 LYS CA C -11.773 -1.310 3.328 1.00 . A A . 15 LYS CA 1 1 16 13865 1 1 15 LYS CB C -12.462 0.065 3.252 1.00 . A A . 15 LYS CB 1 1 16 13866 1 1 15 LYS CD C -14.361 1.430 2.253 1.00 . A A . 15 LYS CD 1 1 16 13867 1 1 15 LYS CE C -15.329 1.278 3.404 1.00 . A A . 15 LYS CE 1 1 16 13868 1 1 15 LYS CG C -13.499 0.185 2.123 1.00 . A A . 15 LYS CG 1 1 16 13869 1 1 15 LYS H H -12.409 -2.474 4.954 1.00 . A A . 15 LYS H 1 1 16 13870 1 1 15 LYS HA H -11.615 -1.682 2.328 1.00 . A A . 15 LYS HA 1 1 16 13871 1 1 15 LYS HB2 H -12.944 0.263 4.196 1.00 . A A . 15 LYS HB2 1 1 16 13872 1 1 15 LYS HB3 H -11.710 0.824 3.099 1.00 . A A . 15 LYS HB3 1 1 16 13873 1 1 15 LYS HD2 H -13.728 2.283 2.443 1.00 . A A . 15 LYS HD2 1 1 16 13874 1 1 15 LYS HD3 H -14.925 1.581 1.345 1.00 . A A . 15 LYS HD3 1 1 16 13875 1 1 15 LYS HE2 H -14.705 0.893 4.191 1.00 . A A . 15 LYS HE2 1 1 16 13876 1 1 15 LYS HE3 H -15.793 2.213 3.674 1.00 . A A . 15 LYS HE3 1 1 16 13877 1 1 15 LYS HG2 H -12.993 0.210 1.169 1.00 . A A . 15 LYS HG2 1 1 16 13878 1 1 15 LYS HG3 H -14.129 -0.691 2.162 1.00 . A A . 15 LYS HG3 1 1 16 13879 1 1 15 LYS HZ1 H -17.031 0.162 3.943 1.00 . A A . 15 LYS HZ1 1 1 16 13880 1 1 15 LYS HZ2 H -15.919 -0.702 3.024 1.00 . A A . 15 LYS HZ2 1 1 16 13881 1 1 15 LYS HZ3 H -16.912 0.444 2.315 1.00 . A A . 15 LYS HZ3 1 1 16 13882 1 1 15 LYS N N -12.597 -2.321 4.005 1.00 . A A . 15 LYS N 1 1 16 13883 1 1 15 LYS NZ N -16.348 0.232 3.161 1.00 . A A . 15 LYS NZ 1 1 16 13884 1 1 15 LYS O O -10.253 -1.286 5.179 1.00 . A A . 15 LYS O 1 1 16 13885 1 1 16 VAL C C -7.204 0.048 2.717 1.00 . A A . 16 VAL C 1 1 16 13886 1 1 16 VAL CA C -7.979 -1.048 3.492 1.00 . A A . 16 VAL CA 1 1 16 13887 1 1 16 VAL CB C -7.280 -2.456 3.345 1.00 . A A . 16 VAL CB 1 1 16 13888 1 1 16 VAL CG1 C -7.827 -3.444 4.375 1.00 . A A . 16 VAL CG1 1 1 16 13889 1 1 16 VAL CG2 C -7.478 -3.021 1.936 1.00 . A A . 16 VAL CG2 1 1 16 13890 1 1 16 VAL H H -9.563 -0.985 2.137 1.00 . A A . 16 VAL H 1 1 16 13891 1 1 16 VAL HA H -7.957 -0.762 4.535 1.00 . A A . 16 VAL HA 1 1 16 13892 1 1 16 VAL HB H -6.224 -2.324 3.521 1.00 . A A . 16 VAL HB 1 1 16 13893 1 1 16 VAL HG11 H -7.662 -3.068 5.375 1.00 . A A . 16 VAL HG11 1 1 16 13894 1 1 16 VAL HG12 H -7.326 -4.395 4.258 1.00 . A A . 16 VAL HG12 1 1 16 13895 1 1 16 VAL HG13 H -8.886 -3.582 4.213 1.00 . A A . 16 VAL HG13 1 1 16 13896 1 1 16 VAL HG21 H -7.006 -2.354 1.233 1.00 . A A . 16 VAL HG21 1 1 16 13897 1 1 16 VAL HG22 H -8.534 -3.092 1.719 1.00 . A A . 16 VAL HG22 1 1 16 13898 1 1 16 VAL HG23 H -7.067 -4.019 1.873 1.00 . A A . 16 VAL HG23 1 1 16 13899 1 1 16 VAL N N -9.382 -1.085 3.097 1.00 . A A . 16 VAL N 1 1 16 13900 1 1 16 VAL O O -7.617 0.470 1.622 1.00 . A A . 16 VAL O 1 1 16 13901 1 1 17 ASP C C -4.245 1.029 1.772 1.00 . A A . 17 ASP C 1 1 16 13902 1 1 17 ASP CA C -5.243 1.604 2.766 1.00 . A A . 17 ASP CA 1 1 16 13903 1 1 17 ASP CB C -4.439 2.299 3.879 1.00 . A A . 17 ASP CB 1 1 16 13904 1 1 17 ASP CG C -5.276 2.899 4.967 1.00 . A A . 17 ASP CG 1 1 16 13905 1 1 17 ASP H H -5.881 0.103 4.172 1.00 . A A . 17 ASP H 1 1 16 13906 1 1 17 ASP HA H -5.881 2.328 2.280 1.00 . A A . 17 ASP HA 1 1 16 13907 1 1 17 ASP HB2 H -3.773 1.584 4.335 1.00 . A A . 17 ASP HB2 1 1 16 13908 1 1 17 ASP HB3 H -3.845 3.085 3.433 1.00 . A A . 17 ASP HB3 1 1 16 13909 1 1 17 ASP N N -6.116 0.515 3.315 1.00 . A A . 17 ASP N 1 1 16 13910 1 1 17 ASP O O -3.957 -0.193 1.812 1.00 . A A . 17 ASP O 1 1 16 13911 1 1 17 ASP OD1 O -5.788 4.015 4.792 1.00 . A A . 17 ASP OD1 1 1 16 13912 1 1 17 ASP OD2 O -5.392 2.259 6.048 1.00 . A A . 17 ASP OD2 1 1 16 13913 1 1 18 TRP C C -1.705 2.492 -0.455 1.00 . A A . 18 TRP C 1 1 16 13914 1 1 18 TRP CA C -2.737 1.395 -0.140 1.00 . A A . 18 TRP CA 1 1 16 13915 1 1 18 TRP CB C -3.449 1.117 -1.437 1.00 . A A . 18 TRP CB 1 1 16 13916 1 1 18 TRP CD1 C -5.754 0.142 -0.822 1.00 . A A . 18 TRP CD1 1 1 16 13917 1 1 18 TRP CD2 C -4.552 -1.101 -2.219 1.00 . A A . 18 TRP CD2 1 1 16 13918 1 1 18 TRP CE2 C -5.764 -1.755 -1.975 1.00 . A A . 18 TRP CE2 1 1 16 13919 1 1 18 TRP CE3 C -3.632 -1.678 -3.075 1.00 . A A . 18 TRP CE3 1 1 16 13920 1 1 18 TRP CG C -4.545 0.087 -1.448 1.00 . A A . 18 TRP CG 1 1 16 13921 1 1 18 TRP CH2 C -5.153 -3.500 -3.421 1.00 . A A . 18 TRP CH2 1 1 16 13922 1 1 18 TRP CZ2 C -6.081 -2.962 -2.568 1.00 . A A . 18 TRP CZ2 1 1 16 13923 1 1 18 TRP CZ3 C -3.937 -2.867 -3.679 1.00 . A A . 18 TRP CZ3 1 1 16 13924 1 1 18 TRP H H -3.465 2.845 0.856 1.00 . A A . 18 TRP H 1 1 16 13925 1 1 18 TRP HA H -2.232 0.504 0.208 1.00 . A A . 18 TRP HA 1 1 16 13926 1 1 18 TRP HB2 H -3.841 2.062 -1.761 1.00 . A A . 18 TRP HB2 1 1 16 13927 1 1 18 TRP HB3 H -2.699 0.836 -2.161 1.00 . A A . 18 TRP HB3 1 1 16 13928 1 1 18 TRP HD1 H -6.057 0.947 -0.166 1.00 . A A . 18 TRP HD1 1 1 16 13929 1 1 18 TRP HE1 H -7.373 -1.182 -0.740 1.00 . A A . 18 TRP HE1 1 1 16 13930 1 1 18 TRP HE3 H -2.703 -1.173 -3.270 1.00 . A A . 18 TRP HE3 1 1 16 13931 1 1 18 TRP HH2 H -5.368 -4.421 -3.927 1.00 . A A . 18 TRP HH2 1 1 16 13932 1 1 18 TRP HZ2 H -7.023 -3.453 -2.369 1.00 . A A . 18 TRP HZ2 1 1 16 13933 1 1 18 TRP HZ3 H -3.221 -3.328 -4.351 1.00 . A A . 18 TRP HZ3 1 1 16 13934 1 1 18 TRP N N -3.635 1.878 0.900 1.00 . A A . 18 TRP N 1 1 16 13935 1 1 18 TRP NE1 N -6.477 -0.982 -1.102 1.00 . A A . 18 TRP NE1 1 1 16 13936 1 1 18 TRP O O -1.931 3.679 -0.169 1.00 . A A . 18 TRP O 1 1 16 13937 1 1 19 VAL C C 0.975 2.528 -2.839 1.00 . A A . 19 VAL C 1 1 16 13938 1 1 19 VAL CA C 0.511 2.918 -1.466 1.00 . A A . 19 VAL CA 1 1 16 13939 1 1 19 VAL CB C 1.724 2.654 -0.571 1.00 . A A . 19 VAL CB 1 1 16 13940 1 1 19 VAL CG1 C 2.761 3.756 -0.657 1.00 . A A . 19 VAL CG1 1 1 16 13941 1 1 19 VAL CG2 C 1.379 2.316 0.814 1.00 . A A . 19 VAL CG2 1 1 16 13942 1 1 19 VAL H H -0.923 1.158 -1.326 1.00 . A A . 19 VAL H 1 1 16 13943 1 1 19 VAL HA H 0.259 3.969 -1.434 1.00 . A A . 19 VAL HA 1 1 16 13944 1 1 19 VAL HB H 2.191 1.801 -1.023 1.00 . A A . 19 VAL HB 1 1 16 13945 1 1 19 VAL HG11 H 3.599 3.511 -0.023 1.00 . A A . 19 VAL HG11 1 1 16 13946 1 1 19 VAL HG12 H 2.325 4.687 -0.326 1.00 . A A . 19 VAL HG12 1 1 16 13947 1 1 19 VAL HG13 H 3.104 3.846 -1.678 1.00 . A A . 19 VAL HG13 1 1 16 13948 1 1 19 VAL HG21 H 2.301 1.996 1.276 1.00 . A A . 19 VAL HG21 1 1 16 13949 1 1 19 VAL HG22 H 0.693 1.483 0.806 1.00 . A A . 19 VAL HG22 1 1 16 13950 1 1 19 VAL HG23 H 0.973 3.179 1.316 1.00 . A A . 19 VAL HG23 1 1 16 13951 1 1 19 VAL N N -0.654 2.079 -1.114 1.00 . A A . 19 VAL N 1 1 16 13952 1 1 19 VAL O O 0.791 1.372 -3.244 1.00 . A A . 19 VAL O 1 1 16 13953 1 1 20 GLN C C 3.593 3.484 -4.623 1.00 . A A . 20 GLN C 1 1 16 13954 1 1 20 GLN CA C 2.141 3.168 -4.808 1.00 . A A . 20 GLN CA 1 1 16 13955 1 1 20 GLN CB C 1.604 4.134 -5.840 1.00 . A A . 20 GLN CB 1 1 16 13956 1 1 20 GLN CD C 2.120 2.620 -7.845 1.00 . A A . 20 GLN CD 1 1 16 13957 1 1 20 GLN CG C 1.129 3.505 -7.134 1.00 . A A . 20 GLN CG 1 1 16 13958 1 1 20 GLN H H 1.919 4.328 -3.284 1.00 . A A . 20 GLN H 1 1 16 13959 1 1 20 GLN HA H 1.990 2.143 -5.109 1.00 . A A . 20 GLN HA 1 1 16 13960 1 1 20 GLN HB2 H 0.814 4.720 -5.395 1.00 . A A . 20 GLN HB2 1 1 16 13961 1 1 20 GLN HB3 H 2.393 4.828 -6.088 1.00 . A A . 20 GLN HB3 1 1 16 13962 1 1 20 GLN HE21 H 0.629 1.535 -8.577 1.00 . A A . 20 GLN HE21 1 1 16 13963 1 1 20 GLN HE22 H 2.233 1.065 -9.032 1.00 . A A . 20 GLN HE22 1 1 16 13964 1 1 20 GLN HG2 H 0.219 2.941 -6.984 1.00 . A A . 20 GLN HG2 1 1 16 13965 1 1 20 GLN HG3 H 0.932 4.338 -7.785 1.00 . A A . 20 GLN HG3 1 1 16 13966 1 1 20 GLN N N 1.592 3.436 -3.534 1.00 . A A . 20 GLN N 1 1 16 13967 1 1 20 GLN NE2 N 1.603 1.647 -8.547 1.00 . A A . 20 GLN NE2 1 1 16 13968 1 1 20 GLN O O 3.919 4.433 -3.909 1.00 . A A . 20 GLN O 1 1 16 13969 1 1 20 GLN OE1 O 3.328 2.805 -7.782 1.00 . A A . 20 GLN OE1 1 1 16 13970 1 1 21 CYS C C 6.131 4.017 -6.207 1.00 . A A . 21 CYS C 1 1 16 13971 1 1 21 CYS CA C 5.844 3.044 -5.103 1.00 . A A . 21 CYS CA 1 1 16 13972 1 1 21 CYS CB C 6.694 1.836 -5.291 1.00 . A A . 21 CYS CB 1 1 16 13973 1 1 21 CYS H H 4.203 1.887 -5.637 1.00 . A A . 21 CYS H 1 1 16 13974 1 1 21 CYS HA H 6.051 3.498 -4.145 1.00 . A A . 21 CYS HA 1 1 16 13975 1 1 21 CYS HB2 H 6.448 1.100 -4.549 1.00 . A A . 21 CYS HB2 1 1 16 13976 1 1 21 CYS HB3 H 6.506 1.432 -6.274 1.00 . A A . 21 CYS HB3 1 1 16 13977 1 1 21 CYS N N 4.450 2.708 -5.163 1.00 . A A . 21 CYS N 1 1 16 13978 1 1 21 CYS O O 6.182 3.626 -7.394 1.00 . A A . 21 CYS O 1 1 16 13979 1 1 21 CYS SG S 8.458 2.128 -5.156 1.00 . A A . 21 CYS SG 1 1 16 13980 1 1 22 ASP C C 7.818 6.459 -7.362 1.00 . A A . 22 ASP C 1 1 16 13981 1 1 22 ASP CA C 6.440 6.288 -6.817 1.00 . A A . 22 ASP CA 1 1 16 13982 1 1 22 ASP CB C 6.021 7.646 -6.227 1.00 . A A . 22 ASP CB 1 1 16 13983 1 1 22 ASP CG C 4.569 7.754 -5.838 1.00 . A A . 22 ASP CG 1 1 16 13984 1 1 22 ASP H H 6.487 5.470 -4.892 1.00 . A A . 22 ASP H 1 1 16 13985 1 1 22 ASP HA H 5.749 6.070 -7.614 1.00 . A A . 22 ASP HA 1 1 16 13986 1 1 22 ASP HB2 H 6.608 7.786 -5.331 1.00 . A A . 22 ASP HB2 1 1 16 13987 1 1 22 ASP HB3 H 6.277 8.427 -6.927 1.00 . A A . 22 ASP HB3 1 1 16 13988 1 1 22 ASP N N 6.349 5.243 -5.846 1.00 . A A . 22 ASP N 1 1 16 13989 1 1 22 ASP O O 8.066 7.464 -8.038 1.00 . A A . 22 ASP O 1 1 16 13990 1 1 22 ASP OD1 O 3.698 7.898 -6.742 1.00 . A A . 22 ASP OD1 1 1 16 13991 1 1 22 ASP OD2 O 4.283 7.746 -4.635 1.00 . A A . 22 ASP OD2 1 1 16 13992 1 1 23 GLY C C 10.785 4.840 -8.364 1.00 . A A . 23 GLY C 1 1 16 13993 1 1 23 GLY CA C 10.079 5.875 -7.528 1.00 . A A . 23 GLY CA 1 1 16 13994 1 1 23 GLY H H 9.126 4.660 -6.909 1.00 . A A . 23 GLY H 1 1 16 13995 1 1 23 GLY HA2 H 10.164 6.858 -7.964 1.00 . A A . 23 GLY HA2 1 1 16 13996 1 1 23 GLY HA3 H 10.548 5.843 -6.550 1.00 . A A . 23 GLY HA3 1 1 16 13997 1 1 23 GLY N N 8.768 5.533 -7.151 1.00 . A A . 23 GLY N 1 1 16 13998 1 1 23 GLY O O 11.790 5.152 -8.986 1.00 . A A . 23 GLY O 1 1 16 13999 1 1 24 GLY C C 10.176 1.463 -9.621 1.00 . A A . 24 GLY C 1 1 16 14000 1 1 24 GLY CA C 11.025 2.615 -9.144 1.00 . A A . 24 GLY CA 1 1 16 14001 1 1 24 GLY H H 9.491 3.233 -7.985 1.00 . A A . 24 GLY H 1 1 16 14002 1 1 24 GLY HA2 H 11.459 3.091 -10.011 1.00 . A A . 24 GLY HA2 1 1 16 14003 1 1 24 GLY HA3 H 11.822 2.228 -8.525 1.00 . A A . 24 GLY HA3 1 1 16 14004 1 1 24 GLY N N 10.299 3.601 -8.392 1.00 . A A . 24 GLY N 1 1 16 14005 1 1 24 GLY O O 9.814 1.412 -10.778 1.00 . A A . 24 GLY O 1 1 16 14006 1 1 25 CYS C C 7.712 -0.463 -9.619 1.00 . A A . 25 CYS C 1 1 16 14007 1 1 25 CYS CA C 9.135 -0.690 -9.101 1.00 . A A . 25 CYS CA 1 1 16 14008 1 1 25 CYS CB C 9.152 -1.750 -8.004 1.00 . A A . 25 CYS CB 1 1 16 14009 1 1 25 CYS H H 10.156 0.674 -7.793 1.00 . A A . 25 CYS H 1 1 16 14010 1 1 25 CYS HA H 9.684 -1.083 -9.943 1.00 . A A . 25 CYS HA 1 1 16 14011 1 1 25 CYS HB2 H 8.800 -2.704 -8.368 1.00 . A A . 25 CYS HB2 1 1 16 14012 1 1 25 CYS HB3 H 10.186 -1.839 -7.710 1.00 . A A . 25 CYS HB3 1 1 16 14013 1 1 25 CYS N N 9.855 0.540 -8.716 1.00 . A A . 25 CYS N 1 1 16 14014 1 1 25 CYS O O 7.240 -1.260 -10.413 1.00 . A A . 25 CYS O 1 1 16 14015 1 1 25 CYS SG S 8.226 -1.325 -6.530 1.00 . A A . 25 CYS SG 1 1 16 14016 1 1 26 ASP C C 4.473 0.076 -9.333 1.00 . A A . 26 ASP C 1 1 16 14017 1 1 26 ASP CA C 5.645 0.993 -9.639 1.00 . A A . 26 ASP CA 1 1 16 14018 1 1 26 ASP CB C 5.597 1.583 -11.099 1.00 . A A . 26 ASP CB 1 1 16 14019 1 1 26 ASP CG C 5.903 0.624 -12.235 1.00 . A A . 26 ASP CG 1 1 16 14020 1 1 26 ASP H H 6.907 1.228 -8.401 1.00 . A A . 26 ASP H 1 1 16 14021 1 1 26 ASP HA H 5.423 1.808 -8.961 1.00 . A A . 26 ASP HA 1 1 16 14022 1 1 26 ASP HB2 H 4.607 1.972 -11.273 1.00 . A A . 26 ASP HB2 1 1 16 14023 1 1 26 ASP HB3 H 6.296 2.406 -11.133 1.00 . A A . 26 ASP HB3 1 1 16 14024 1 1 26 ASP N N 6.989 0.569 -9.117 1.00 . A A . 26 ASP N 1 1 16 14025 1 1 26 ASP O O 3.404 0.219 -9.923 1.00 . A A . 26 ASP O 1 1 16 14026 1 1 26 ASP OD1 O 5.101 -0.280 -12.499 1.00 . A A . 26 ASP OD1 1 1 16 14027 1 1 26 ASP OD2 O 6.934 0.819 -12.931 1.00 . A A . 26 ASP OD2 1 1 16 14028 1 1 27 GLU C C 2.812 -1.030 -6.686 1.00 . A A . 27 GLU C 1 1 16 14029 1 1 27 GLU CA C 3.482 -1.611 -7.953 1.00 . A A . 27 GLU CA 1 1 16 14030 1 1 27 GLU CB C 3.837 -3.076 -7.770 1.00 . A A . 27 GLU CB 1 1 16 14031 1 1 27 GLU CD C 4.250 -5.277 -8.889 1.00 . A A . 27 GLU CD 1 1 16 14032 1 1 27 GLU CG C 4.179 -3.790 -9.069 1.00 . A A . 27 GLU CG 1 1 16 14033 1 1 27 GLU H H 5.493 -1.025 -8.000 1.00 . A A . 27 GLU H 1 1 16 14034 1 1 27 GLU HA H 2.752 -1.531 -8.748 1.00 . A A . 27 GLU HA 1 1 16 14035 1 1 27 GLU HB2 H 4.697 -3.123 -7.117 1.00 . A A . 27 GLU HB2 1 1 16 14036 1 1 27 GLU HB3 H 3.007 -3.573 -7.294 1.00 . A A . 27 GLU HB3 1 1 16 14037 1 1 27 GLU HG2 H 3.417 -3.566 -9.798 1.00 . A A . 27 GLU HG2 1 1 16 14038 1 1 27 GLU HG3 H 5.129 -3.433 -9.439 1.00 . A A . 27 GLU HG3 1 1 16 14039 1 1 27 GLU N N 4.623 -0.821 -8.392 1.00 . A A . 27 GLU N 1 1 16 14040 1 1 27 GLU O O 3.315 -0.063 -6.092 1.00 . A A . 27 GLU O 1 1 16 14041 1 1 27 GLU OE1 O 3.168 -5.894 -8.708 1.00 . A A . 27 GLU OE1 1 1 16 14042 1 1 27 GLU OE2 O 5.364 -5.850 -8.916 1.00 . A A . 27 GLU OE2 1 1 16 14043 1 1 28 TRP C C 1.110 -2.098 -3.916 1.00 . A A . 28 TRP C 1 1 16 14044 1 1 28 TRP CA C 0.889 -1.198 -5.123 1.00 . A A . 28 TRP CA 1 1 16 14045 1 1 28 TRP CB C -0.630 -1.176 -5.422 1.00 . A A . 28 TRP CB 1 1 16 14046 1 1 28 TRP CD1 C -1.265 -0.300 -7.735 1.00 . A A . 28 TRP CD1 1 1 16 14047 1 1 28 TRP CD2 C -1.491 1.210 -6.111 1.00 . A A . 28 TRP CD2 1 1 16 14048 1 1 28 TRP CE2 C -1.846 1.809 -7.323 1.00 . A A . 28 TRP CE2 1 1 16 14049 1 1 28 TRP CE3 C -1.571 1.973 -4.943 1.00 . A A . 28 TRP CE3 1 1 16 14050 1 1 28 TRP CG C -1.096 -0.141 -6.405 1.00 . A A . 28 TRP CG 1 1 16 14051 1 1 28 TRP CH2 C -2.337 3.847 -6.255 1.00 . A A . 28 TRP CH2 1 1 16 14052 1 1 28 TRP CZ2 C -2.272 3.127 -7.411 1.00 . A A . 28 TRP CZ2 1 1 16 14053 1 1 28 TRP CZ3 C -1.993 3.286 -5.028 1.00 . A A . 28 TRP CZ3 1 1 16 14054 1 1 28 TRP H H 1.497 -2.462 -6.797 1.00 . A A . 28 TRP H 1 1 16 14055 1 1 28 TRP HA H 1.205 -0.192 -4.882 1.00 . A A . 28 TRP HA 1 1 16 14056 1 1 28 TRP HB2 H -0.924 -2.139 -5.806 1.00 . A A . 28 TRP HB2 1 1 16 14057 1 1 28 TRP HB3 H -1.146 -1.011 -4.490 1.00 . A A . 28 TRP HB3 1 1 16 14058 1 1 28 TRP HD1 H -1.070 -1.213 -8.273 1.00 . A A . 28 TRP HD1 1 1 16 14059 1 1 28 TRP HE1 H -1.882 0.998 -9.249 1.00 . A A . 28 TRP HE1 1 1 16 14060 1 1 28 TRP HE3 H -1.309 1.552 -3.986 1.00 . A A . 28 TRP HE3 1 1 16 14061 1 1 28 TRP HH2 H -2.677 4.867 -6.267 1.00 . A A . 28 TRP HH2 1 1 16 14062 1 1 28 TRP HZ2 H -2.530 3.579 -8.356 1.00 . A A . 28 TRP HZ2 1 1 16 14063 1 1 28 TRP HZ3 H -2.070 3.902 -4.144 1.00 . A A . 28 TRP HZ3 1 1 16 14064 1 1 28 TRP N N 1.688 -1.648 -6.286 1.00 . A A . 28 TRP N 1 1 16 14065 1 1 28 TRP NE1 N -1.701 0.868 -8.294 1.00 . A A . 28 TRP NE1 1 1 16 14066 1 1 28 TRP O O 1.293 -3.321 -4.066 1.00 . A A . 28 TRP O 1 1 16 14067 1 1 29 PHE C C 0.232 -1.695 -0.537 1.00 . A A . 29 PHE C 1 1 16 14068 1 1 29 PHE CA C 1.228 -2.244 -1.491 1.00 . A A . 29 PHE CA 1 1 16 14069 1 1 29 PHE CB C 2.528 -1.917 -0.806 1.00 . A A . 29 PHE CB 1 1 16 14070 1 1 29 PHE CD1 C 4.434 -2.725 -2.125 1.00 . A A . 29 PHE CD1 1 1 16 14071 1 1 29 PHE CD2 C 4.099 -0.396 -1.912 1.00 . A A . 29 PHE CD2 1 1 16 14072 1 1 29 PHE CE1 C 5.567 -2.488 -2.878 1.00 . A A . 29 PHE CE1 1 1 16 14073 1 1 29 PHE CE2 C 5.214 -0.150 -2.622 1.00 . A A . 29 PHE CE2 1 1 16 14074 1 1 29 PHE CG C 3.701 -1.688 -1.647 1.00 . A A . 29 PHE CG 1 1 16 14075 1 1 29 PHE CZ C 5.956 -1.183 -3.120 1.00 . A A . 29 PHE CZ 1 1 16 14076 1 1 29 PHE H H 0.974 -0.528 -2.701 1.00 . A A . 29 PHE H 1 1 16 14077 1 1 29 PHE HA H 1.145 -3.313 -1.627 1.00 . A A . 29 PHE HA 1 1 16 14078 1 1 29 PHE HB2 H 2.381 -1.019 -0.224 1.00 . A A . 29 PHE HB2 1 1 16 14079 1 1 29 PHE HB3 H 2.743 -2.722 -0.119 1.00 . A A . 29 PHE HB3 1 1 16 14080 1 1 29 PHE HD1 H 4.083 -3.726 -1.920 1.00 . A A . 29 PHE HD1 1 1 16 14081 1 1 29 PHE HD2 H 3.525 0.447 -1.551 1.00 . A A . 29 PHE HD2 1 1 16 14082 1 1 29 PHE HE1 H 6.152 -3.310 -3.265 1.00 . A A . 29 PHE HE1 1 1 16 14083 1 1 29 PHE HE2 H 5.486 0.876 -2.796 1.00 . A A . 29 PHE HE2 1 1 16 14084 1 1 29 PHE HZ H 6.844 -0.943 -3.685 1.00 . A A . 29 PHE HZ 1 1 16 14085 1 1 29 PHE N N 1.082 -1.505 -2.735 1.00 . A A . 29 PHE N 1 1 16 14086 1 1 29 PHE O O -0.215 -0.573 -0.721 1.00 . A A . 29 PHE O 1 1 16 14087 1 1 30 HIS C C 0.158 -0.998 2.345 1.00 . A A . 30 HIS C 1 1 16 14088 1 1 30 HIS CA C -0.890 -1.804 1.555 1.00 . A A . 30 HIS CA 1 1 16 14089 1 1 30 HIS CB C -1.514 -2.850 2.481 1.00 . A A . 30 HIS CB 1 1 16 14090 1 1 30 HIS CD2 C -3.757 -3.958 1.691 1.00 . A A . 30 HIS CD2 1 1 16 14091 1 1 30 HIS CE1 C -2.932 -5.906 1.019 1.00 . A A . 30 HIS CE1 1 1 16 14092 1 1 30 HIS CG C -2.406 -3.890 1.828 1.00 . A A . 30 HIS CG 1 1 16 14093 1 1 30 HIS H H -0.436 -3.402 0.560 1.00 . A A . 30 HIS H 1 1 16 14094 1 1 30 HIS HA H -1.654 -1.142 1.172 1.00 . A A . 30 HIS HA 1 1 16 14095 1 1 30 HIS HB2 H -0.707 -3.394 2.954 1.00 . A A . 30 HIS HB2 1 1 16 14096 1 1 30 HIS HB3 H -2.087 -2.339 3.243 1.00 . A A . 30 HIS HB3 1 1 16 14097 1 1 30 HIS HD2 H -4.462 -3.173 1.922 1.00 . A A . 30 HIS HD2 1 1 16 14098 1 1 30 HIS HE1 H -2.847 -6.962 0.768 1.00 . A A . 30 HIS HE1 1 1 16 14099 1 1 30 HIS HE2 H -4.893 -5.447 0.712 1.00 . A A . 30 HIS HE2 1 1 16 14100 1 1 30 HIS N N -0.206 -2.460 0.460 1.00 . A A . 30 HIS N 1 1 16 14101 1 1 30 HIS ND1 N -1.925 -5.116 1.373 1.00 . A A . 30 HIS ND1 1 1 16 14102 1 1 30 HIS NE2 N -4.061 -5.221 1.191 1.00 . A A . 30 HIS NE2 1 1 16 14103 1 1 30 HIS O O 1.347 -1.248 2.213 1.00 . A A . 30 HIS O 1 1 16 14104 1 1 31 GLN C C 1.246 -0.066 5.063 1.00 . A A . 31 GLN C 1 1 16 14105 1 1 31 GLN CA C 0.629 0.727 3.921 1.00 . A A . 31 GLN CA 1 1 16 14106 1 1 31 GLN CB C -0.061 1.986 4.431 1.00 . A A . 31 GLN CB 1 1 16 14107 1 1 31 GLN CD C -0.544 4.197 3.326 1.00 . A A . 31 GLN CD 1 1 16 14108 1 1 31 GLN CG C -0.781 2.710 3.331 1.00 . A A . 31 GLN CG 1 1 16 14109 1 1 31 GLN H H -1.246 -0.172 3.301 1.00 . A A . 31 GLN H 1 1 16 14110 1 1 31 GLN HA H 1.406 1.003 3.227 1.00 . A A . 31 GLN HA 1 1 16 14111 1 1 31 GLN HB2 H -0.767 1.719 5.203 1.00 . A A . 31 GLN HB2 1 1 16 14112 1 1 31 GLN HB3 H 0.678 2.647 4.850 1.00 . A A . 31 GLN HB3 1 1 16 14113 1 1 31 GLN HE21 H -0.776 4.208 1.368 1.00 . A A . 31 GLN HE21 1 1 16 14114 1 1 31 GLN HE22 H -0.410 5.728 2.077 1.00 . A A . 31 GLN HE22 1 1 16 14115 1 1 31 GLN HG2 H -0.363 2.282 2.429 1.00 . A A . 31 GLN HG2 1 1 16 14116 1 1 31 GLN HG3 H -1.837 2.494 3.390 1.00 . A A . 31 GLN HG3 1 1 16 14117 1 1 31 GLN N N -0.285 -0.108 3.188 1.00 . A A . 31 GLN N 1 1 16 14118 1 1 31 GLN NE2 N -0.590 4.772 2.149 1.00 . A A . 31 GLN NE2 1 1 16 14119 1 1 31 GLN O O 2.452 -0.161 5.193 1.00 . A A . 31 GLN O 1 1 16 14120 1 1 31 GLN OE1 O -0.321 4.818 4.357 1.00 . A A . 31 GLN OE1 1 1 16 14121 1 1 32 VAL C C 1.680 -2.644 6.698 1.00 . A A . 32 VAL C 1 1 16 14122 1 1 32 VAL CA C 0.780 -1.441 7.016 1.00 . A A . 32 VAL CA 1 1 16 14123 1 1 32 VAL CB C -0.448 -1.954 7.794 1.00 . A A . 32 VAL CB 1 1 16 14124 1 1 32 VAL CG1 C -1.311 -0.799 8.270 1.00 . A A . 32 VAL CG1 1 1 16 14125 1 1 32 VAL CG2 C -1.269 -2.938 6.947 1.00 . A A . 32 VAL CG2 1 1 16 14126 1 1 32 VAL H H -0.563 -0.506 5.669 1.00 . A A . 32 VAL H 1 1 16 14127 1 1 32 VAL HA H 1.320 -0.777 7.673 1.00 . A A . 32 VAL HA 1 1 16 14128 1 1 32 VAL HB H -0.056 -2.482 8.646 1.00 . A A . 32 VAL HB 1 1 16 14129 1 1 32 VAL HG11 H -0.739 -0.137 8.902 1.00 . A A . 32 VAL HG11 1 1 16 14130 1 1 32 VAL HG12 H -2.168 -1.174 8.811 1.00 . A A . 32 VAL HG12 1 1 16 14131 1 1 32 VAL HG13 H -1.653 -0.259 7.400 1.00 . A A . 32 VAL HG13 1 1 16 14132 1 1 32 VAL HG21 H -2.116 -3.319 7.500 1.00 . A A . 32 VAL HG21 1 1 16 14133 1 1 32 VAL HG22 H -0.617 -3.751 6.661 1.00 . A A . 32 VAL HG22 1 1 16 14134 1 1 32 VAL HG23 H -1.595 -2.437 6.047 1.00 . A A . 32 VAL HG23 1 1 16 14135 1 1 32 VAL N N 0.386 -0.657 5.851 1.00 . A A . 32 VAL N 1 1 16 14136 1 1 32 VAL O O 2.519 -2.998 7.501 1.00 . A A . 32 VAL O 1 1 16 14137 1 1 33 CYS C C 3.683 -4.158 4.812 1.00 . A A . 33 CYS C 1 1 16 14138 1 1 33 CYS CA C 2.240 -4.474 5.239 1.00 . A A . 33 CYS CA 1 1 16 14139 1 1 33 CYS CB C 1.516 -5.290 4.149 1.00 . A A . 33 CYS CB 1 1 16 14140 1 1 33 CYS H H 0.888 -2.980 4.837 1.00 . A A . 33 CYS H 1 1 16 14141 1 1 33 CYS HA H 2.276 -5.067 6.140 1.00 . A A . 33 CYS HA 1 1 16 14142 1 1 33 CYS HB2 H 2.125 -6.114 3.837 1.00 . A A . 33 CYS HB2 1 1 16 14143 1 1 33 CYS HB3 H 0.504 -5.584 4.380 1.00 . A A . 33 CYS HB3 1 1 16 14144 1 1 33 CYS N N 1.502 -3.271 5.538 1.00 . A A . 33 CYS N 1 1 16 14145 1 1 33 CYS O O 4.632 -4.799 5.260 1.00 . A A . 33 CYS O 1 1 16 14146 1 1 33 CYS SG S 1.314 -4.464 2.629 1.00 . A A . 33 CYS SG 1 1 16 14147 1 1 34 VAL C C 5.813 -1.884 4.475 1.00 . A A . 34 VAL C 1 1 16 14148 1 1 34 VAL CA C 5.114 -2.824 3.470 1.00 . A A . 34 VAL CA 1 1 16 14149 1 1 34 VAL CB C 5.080 -2.191 2.050 1.00 . A A . 34 VAL CB 1 1 16 14150 1 1 34 VAL CG1 C 4.498 -0.802 2.032 1.00 . A A . 34 VAL CG1 1 1 16 14151 1 1 34 VAL CG2 C 6.416 -2.252 1.439 1.00 . A A . 34 VAL CG2 1 1 16 14152 1 1 34 VAL H H 3.001 -3.247 3.356 1.00 . A A . 34 VAL H 1 1 16 14153 1 1 34 VAL HA H 5.701 -3.727 3.397 1.00 . A A . 34 VAL HA 1 1 16 14154 1 1 34 VAL HB H 4.403 -2.737 1.406 1.00 . A A . 34 VAL HB 1 1 16 14155 1 1 34 VAL HG11 H 4.523 -0.415 1.022 1.00 . A A . 34 VAL HG11 1 1 16 14156 1 1 34 VAL HG12 H 5.109 -0.176 2.664 1.00 . A A . 34 VAL HG12 1 1 16 14157 1 1 34 VAL HG13 H 3.478 -0.792 2.400 1.00 . A A . 34 VAL HG13 1 1 16 14158 1 1 34 VAL HG21 H 6.386 -1.837 0.446 1.00 . A A . 34 VAL HG21 1 1 16 14159 1 1 34 VAL HG22 H 6.616 -3.310 1.413 1.00 . A A . 34 VAL HG22 1 1 16 14160 1 1 34 VAL HG23 H 7.094 -1.735 2.101 1.00 . A A . 34 VAL HG23 1 1 16 14161 1 1 34 VAL N N 3.811 -3.210 3.879 1.00 . A A . 34 VAL N 1 1 16 14162 1 1 34 VAL O O 7.041 -1.736 4.407 1.00 . A A . 34 VAL O 1 1 16 14163 1 1 35 GLY C C 5.796 0.936 6.194 1.00 . A A . 35 GLY C 1 1 16 14164 1 1 35 GLY CA C 5.823 -0.539 6.459 1.00 . A A . 35 GLY CA 1 1 16 14165 1 1 35 GLY H H 4.209 -0.809 5.492 1.00 . A A . 35 GLY H 1 1 16 14166 1 1 35 GLY HA2 H 5.376 -0.741 7.422 1.00 . A A . 35 GLY HA2 1 1 16 14167 1 1 35 GLY HA3 H 6.846 -0.881 6.457 1.00 . A A . 35 GLY HA3 1 1 16 14168 1 1 35 GLY N N 5.086 -1.247 5.409 1.00 . A A . 35 GLY N 1 1 16 14169 1 1 35 GLY O O 6.556 1.736 6.762 1.00 . A A . 35 GLY O 1 1 16 14170 1 1 36 VAL C C 3.961 3.329 6.246 1.00 . A A . 36 VAL C 1 1 16 14171 1 1 36 VAL CA C 4.620 2.665 5.076 1.00 . A A . 36 VAL CA 1 1 16 14172 1 1 36 VAL CB C 3.620 2.828 3.901 1.00 . A A . 36 VAL CB 1 1 16 14173 1 1 36 VAL CG1 C 3.147 4.205 3.759 1.00 . A A . 36 VAL CG1 1 1 16 14174 1 1 36 VAL CG2 C 4.193 2.461 2.625 1.00 . A A . 36 VAL CG2 1 1 16 14175 1 1 36 VAL H H 4.885 0.458 4.815 1.00 . A A . 36 VAL H 1 1 16 14176 1 1 36 VAL HA H 5.530 3.163 4.781 1.00 . A A . 36 VAL HA 1 1 16 14177 1 1 36 VAL HB H 2.772 2.181 4.075 1.00 . A A . 36 VAL HB 1 1 16 14178 1 1 36 VAL HG11 H 2.724 4.572 4.682 1.00 . A A . 36 VAL HG11 1 1 16 14179 1 1 36 VAL HG12 H 2.365 4.109 3.017 1.00 . A A . 36 VAL HG12 1 1 16 14180 1 1 36 VAL HG13 H 3.952 4.822 3.382 1.00 . A A . 36 VAL HG13 1 1 16 14181 1 1 36 VAL HG21 H 3.697 3.118 1.922 1.00 . A A . 36 VAL HG21 1 1 16 14182 1 1 36 VAL HG22 H 4.029 1.420 2.396 1.00 . A A . 36 VAL HG22 1 1 16 14183 1 1 36 VAL HG23 H 5.251 2.684 2.657 1.00 . A A . 36 VAL HG23 1 1 16 14184 1 1 36 VAL N N 4.878 1.285 5.322 1.00 . A A . 36 VAL N 1 1 16 14185 1 1 36 VAL O O 2.830 3.026 6.644 1.00 . A A . 36 VAL O 1 1 16 14186 1 1 37 SER C C 3.288 5.986 6.982 1.00 . A A . 37 SER C 1 1 16 14187 1 1 37 SER CA C 4.297 5.145 7.748 1.00 . A A . 37 SER CA 1 1 16 14188 1 1 37 SER CB C 5.440 5.995 8.280 1.00 . A A . 37 SER CB 1 1 16 14189 1 1 37 SER H H 5.613 3.711 6.652 1.00 . A A . 37 SER H 1 1 16 14190 1 1 37 SER HA H 3.815 4.623 8.562 1.00 . A A . 37 SER HA 1 1 16 14191 1 1 37 SER HB2 H 5.853 6.563 7.466 1.00 . A A . 37 SER HB2 1 1 16 14192 1 1 37 SER HB3 H 5.055 6.669 9.028 1.00 . A A . 37 SER HB3 1 1 16 14193 1 1 37 SER HG H 6.222 4.240 8.688 1.00 . A A . 37 SER HG 1 1 16 14194 1 1 37 SER N N 4.780 4.179 6.850 1.00 . A A . 37 SER N 1 1 16 14195 1 1 37 SER O O 3.630 6.557 5.922 1.00 . A A . 37 SER O 1 1 16 14196 1 1 37 SER OG O 6.443 5.161 8.871 1.00 . A A . 37 SER OG 1 1 16 14197 1 1 38 PRO C C 1.296 8.201 6.566 1.00 . A A . 38 PRO C 1 1 16 14198 1 1 38 PRO CA C 0.929 6.766 6.805 1.00 . A A . 38 PRO CA 1 1 16 14199 1 1 38 PRO CB C -0.240 6.674 7.804 1.00 . A A . 38 PRO CB 1 1 16 14200 1 1 38 PRO CD C 1.590 5.439 8.731 1.00 . A A . 38 PRO CD 1 1 16 14201 1 1 38 PRO CG C 0.377 6.242 9.091 1.00 . A A . 38 PRO CG 1 1 16 14202 1 1 38 PRO HA H 0.658 6.302 5.868 1.00 . A A . 38 PRO HA 1 1 16 14203 1 1 38 PRO HB2 H -0.700 7.649 7.901 1.00 . A A . 38 PRO HB2 1 1 16 14204 1 1 38 PRO HB3 H -0.968 5.953 7.451 1.00 . A A . 38 PRO HB3 1 1 16 14205 1 1 38 PRO HD2 H 2.369 5.574 9.468 1.00 . A A . 38 PRO HD2 1 1 16 14206 1 1 38 PRO HD3 H 1.351 4.396 8.582 1.00 . A A . 38 PRO HD3 1 1 16 14207 1 1 38 PRO HG2 H 0.665 7.105 9.676 1.00 . A A . 38 PRO HG2 1 1 16 14208 1 1 38 PRO HG3 H -0.325 5.633 9.639 1.00 . A A . 38 PRO HG3 1 1 16 14209 1 1 38 PRO N N 2.030 6.049 7.477 1.00 . A A . 38 PRO N 1 1 16 14210 1 1 38 PRO O O 0.816 8.835 5.627 1.00 . A A . 38 PRO O 1 1 16 14211 1 1 39 GLU C C 3.442 10.147 6.015 1.00 . A A . 39 GLU C 1 1 16 14212 1 1 39 GLU CA C 2.691 10.007 7.323 1.00 . A A . 39 GLU CA 1 1 16 14213 1 1 39 GLU CB C 3.615 10.316 8.511 1.00 . A A . 39 GLU CB 1 1 16 14214 1 1 39 GLU CD C 2.983 12.741 8.977 1.00 . A A . 39 GLU CD 1 1 16 14215 1 1 39 GLU CG C 4.086 11.763 8.598 1.00 . A A . 39 GLU CG 1 1 16 14216 1 1 39 GLU H H 2.523 8.108 8.128 1.00 . A A . 39 GLU H 1 1 16 14217 1 1 39 GLU HA H 1.870 10.700 7.313 1.00 . A A . 39 GLU HA 1 1 16 14218 1 1 39 GLU HB2 H 3.090 10.086 9.427 1.00 . A A . 39 GLU HB2 1 1 16 14219 1 1 39 GLU HB3 H 4.490 9.684 8.451 1.00 . A A . 39 GLU HB3 1 1 16 14220 1 1 39 GLU HG2 H 4.851 11.804 9.356 1.00 . A A . 39 GLU HG2 1 1 16 14221 1 1 39 GLU HG3 H 4.506 12.053 7.645 1.00 . A A . 39 GLU HG3 1 1 16 14222 1 1 39 GLU N N 2.192 8.692 7.417 1.00 . A A . 39 GLU N 1 1 16 14223 1 1 39 GLU O O 3.113 10.985 5.206 1.00 . A A . 39 GLU O 1 1 16 14224 1 1 39 GLU OE1 O 2.203 13.164 8.109 1.00 . A A . 39 GLU OE1 1 1 16 14225 1 1 39 GLU OE2 O 2.901 13.096 10.167 1.00 . A A . 39 GLU OE2 1 1 16 14226 1 1 40 MET C C 4.470 9.254 3.278 1.00 . A A . 40 MET C 1 1 16 14227 1 1 40 MET CA C 5.251 9.387 4.586 1.00 . A A . 40 MET CA 1 1 16 14228 1 1 40 MET CB C 6.383 8.300 4.658 1.00 . A A . 40 MET CB 1 1 16 14229 1 1 40 MET CE C 9.139 9.904 3.995 1.00 . A A . 40 MET CE 1 1 16 14230 1 1 40 MET CG C 7.419 8.565 5.748 1.00 . A A . 40 MET CG 1 1 16 14231 1 1 40 MET H H 4.821 8.481 6.175 1.00 . A A . 40 MET H 1 1 16 14232 1 1 40 MET HA H 5.739 10.348 4.606 1.00 . A A . 40 MET HA 1 1 16 14233 1 1 40 MET HB2 H 5.966 7.319 4.907 1.00 . A A . 40 MET HB2 1 1 16 14234 1 1 40 MET HB3 H 6.903 8.251 3.712 1.00 . A A . 40 MET HB3 1 1 16 14235 1 1 40 MET HE1 H 9.830 9.080 4.099 1.00 . A A . 40 MET HE1 1 1 16 14236 1 1 40 MET HE2 H 9.693 10.795 3.741 1.00 . A A . 40 MET HE2 1 1 16 14237 1 1 40 MET HE3 H 8.439 9.690 3.203 1.00 . A A . 40 MET HE3 1 1 16 14238 1 1 40 MET HG2 H 6.912 8.567 6.703 1.00 . A A . 40 MET HG2 1 1 16 14239 1 1 40 MET HG3 H 8.161 7.780 5.719 1.00 . A A . 40 MET HG3 1 1 16 14240 1 1 40 MET N N 4.424 9.277 5.766 1.00 . A A . 40 MET N 1 1 16 14241 1 1 40 MET O O 4.583 10.097 2.411 1.00 . A A . 40 MET O 1 1 16 14242 1 1 40 MET SD S 8.257 10.151 5.544 1.00 . A A . 40 MET SD 1 1 16 14243 1 1 41 ALA C C 1.887 9.047 1.626 1.00 . A A . 41 ALA C 1 1 16 14244 1 1 41 ALA CA C 2.887 7.967 1.930 1.00 . A A . 41 ALA CA 1 1 16 14245 1 1 41 ALA CB C 2.214 6.637 1.954 1.00 . A A . 41 ALA CB 1 1 16 14246 1 1 41 ALA H H 3.894 7.508 3.817 1.00 . A A . 41 ALA H 1 1 16 14247 1 1 41 ALA HA H 3.594 7.950 1.113 1.00 . A A . 41 ALA HA 1 1 16 14248 1 1 41 ALA HB1 H 2.910 5.807 2.055 1.00 . A A . 41 ALA HB1 1 1 16 14249 1 1 41 ALA HB2 H 1.642 6.531 1.046 1.00 . A A . 41 ALA HB2 1 1 16 14250 1 1 41 ALA HB3 H 1.549 6.656 2.802 1.00 . A A . 41 ALA HB3 1 1 16 14251 1 1 41 ALA N N 3.695 8.196 3.158 1.00 . A A . 41 ALA N 1 1 16 14252 1 1 41 ALA O O 1.599 9.313 0.475 1.00 . A A . 41 ALA O 1 1 16 14253 1 1 42 GLU C C 1.130 12.047 2.219 1.00 . A A . 42 GLU C 1 1 16 14254 1 1 42 GLU CA C 0.423 10.696 2.340 1.00 . A A . 42 GLU CA 1 1 16 14255 1 1 42 GLU CB C -0.716 10.700 3.322 1.00 . A A . 42 GLU CB 1 1 16 14256 1 1 42 GLU CD C -2.952 9.706 3.903 1.00 . A A . 42 GLU CD 1 1 16 14257 1 1 42 GLU CG C -1.659 9.518 3.160 1.00 . A A . 42 GLU CG 1 1 16 14258 1 1 42 GLU H H 1.509 9.423 3.551 1.00 . A A . 42 GLU H 1 1 16 14259 1 1 42 GLU HA H 0.027 10.471 1.358 1.00 . A A . 42 GLU HA 1 1 16 14260 1 1 42 GLU HB2 H -0.164 10.488 4.229 1.00 . A A . 42 GLU HB2 1 1 16 14261 1 1 42 GLU HB3 H -1.253 11.638 3.357 1.00 . A A . 42 GLU HB3 1 1 16 14262 1 1 42 GLU HG2 H -1.875 9.386 2.111 1.00 . A A . 42 GLU HG2 1 1 16 14263 1 1 42 GLU HG3 H -1.171 8.629 3.532 1.00 . A A . 42 GLU HG3 1 1 16 14264 1 1 42 GLU N N 1.338 9.653 2.612 1.00 . A A . 42 GLU N 1 1 16 14265 1 1 42 GLU O O 0.515 13.049 1.855 1.00 . A A . 42 GLU O 1 1 16 14266 1 1 42 GLU OE1 O -2.985 9.568 5.127 1.00 . A A . 42 GLU OE1 1 1 16 14267 1 1 42 GLU OE2 O -3.985 10.014 3.249 1.00 . A A . 42 GLU OE2 1 1 16 14268 1 1 43 ASN C C 3.894 13.380 1.066 1.00 . A A . 43 ASN C 1 1 16 14269 1 1 43 ASN CA C 3.219 13.253 2.404 1.00 . A A . 43 ASN CA 1 1 16 14270 1 1 43 ASN CB C 4.206 13.473 3.537 1.00 . A A . 43 ASN CB 1 1 16 14271 1 1 43 ASN CG C 3.617 14.257 4.687 1.00 . A A . 43 ASN CG 1 1 16 14272 1 1 43 ASN H H 2.748 11.234 2.954 1.00 . A A . 43 ASN H 1 1 16 14273 1 1 43 ASN HA H 2.510 14.066 2.438 1.00 . A A . 43 ASN HA 1 1 16 14274 1 1 43 ASN HB2 H 4.531 12.507 3.901 1.00 . A A . 43 ASN HB2 1 1 16 14275 1 1 43 ASN HB3 H 5.055 14.004 3.143 1.00 . A A . 43 ASN HB3 1 1 16 14276 1 1 43 ASN HD21 H 3.003 12.603 5.493 1.00 . A A . 43 ASN HD21 1 1 16 14277 1 1 43 ASN HD22 H 2.636 13.999 6.408 1.00 . A A . 43 ASN HD22 1 1 16 14278 1 1 43 ASN N N 2.407 12.064 2.558 1.00 . A A . 43 ASN N 1 1 16 14279 1 1 43 ASN ND2 N 3.027 13.580 5.607 1.00 . A A . 43 ASN ND2 1 1 16 14280 1 1 43 ASN O O 3.434 14.158 0.225 1.00 . A A . 43 ASN O 1 1 16 14281 1 1 43 ASN OD1 O 3.699 15.485 4.725 1.00 . A A . 43 ASN OD1 1 1 16 14282 1 1 44 GLU C C 6.238 11.526 -0.950 1.00 . A A . 44 GLU C 1 1 16 14283 1 1 44 GLU CA C 5.732 12.851 -0.403 1.00 . A A . 44 GLU CA 1 1 16 14284 1 1 44 GLU CB C 6.961 13.725 -0.126 1.00 . A A . 44 GLU CB 1 1 16 14285 1 1 44 GLU CD C 7.966 15.825 0.786 1.00 . A A . 44 GLU CD 1 1 16 14286 1 1 44 GLU CG C 6.688 15.090 0.486 1.00 . A A . 44 GLU CG 1 1 16 14287 1 1 44 GLU H H 5.405 11.861 1.236 1.00 . A A . 44 GLU H 1 1 16 14288 1 1 44 GLU HA H 5.116 13.349 -1.137 1.00 . A A . 44 GLU HA 1 1 16 14289 1 1 44 GLU HB2 H 7.628 13.184 0.527 1.00 . A A . 44 GLU HB2 1 1 16 14290 1 1 44 GLU HB3 H 7.470 13.877 -1.066 1.00 . A A . 44 GLU HB3 1 1 16 14291 1 1 44 GLU HG2 H 6.096 15.675 -0.204 1.00 . A A . 44 GLU HG2 1 1 16 14292 1 1 44 GLU HG3 H 6.140 14.954 1.406 1.00 . A A . 44 GLU HG3 1 1 16 14293 1 1 44 GLU N N 4.972 12.636 0.812 1.00 . A A . 44 GLU N 1 1 16 14294 1 1 44 GLU O O 6.680 10.679 -0.173 1.00 . A A . 44 GLU O 1 1 16 14295 1 1 44 GLU OE1 O 8.557 15.592 1.856 1.00 . A A . 44 GLU OE1 1 1 16 14296 1 1 44 GLU OE2 O 8.418 16.629 -0.056 1.00 . A A . 44 GLU OE2 1 1 16 14297 1 1 45 ASP C C 7.206 9.124 -2.394 1.00 . A A . 45 ASP C 1 1 16 14298 1 1 45 ASP CA C 6.622 10.277 -3.176 1.00 . A A . 45 ASP CA 1 1 16 14299 1 1 45 ASP CB C 7.700 10.779 -4.121 1.00 . A A . 45 ASP CB 1 1 16 14300 1 1 45 ASP CG C 7.257 11.880 -5.062 1.00 . A A . 45 ASP CG 1 1 16 14301 1 1 45 ASP H H 5.562 12.157 -2.570 1.00 . A A . 45 ASP H 1 1 16 14302 1 1 45 ASP HA H 5.797 9.906 -3.767 1.00 . A A . 45 ASP HA 1 1 16 14303 1 1 45 ASP HB2 H 8.500 11.119 -3.489 1.00 . A A . 45 ASP HB2 1 1 16 14304 1 1 45 ASP HB3 H 8.053 9.928 -4.690 1.00 . A A . 45 ASP HB3 1 1 16 14305 1 1 45 ASP N N 6.100 11.392 -2.288 1.00 . A A . 45 ASP N 1 1 16 14306 1 1 45 ASP O O 8.354 9.196 -1.907 1.00 . A A . 45 ASP O 1 1 16 14307 1 1 45 ASP OD1 O 6.835 12.967 -4.586 1.00 . A A . 45 ASP OD1 1 1 16 14308 1 1 45 ASP OD2 O 7.330 11.686 -6.290 1.00 . A A . 45 ASP OD2 1 1 16 14309 1 1 46 TYR C C 7.608 5.939 -2.273 1.00 . A A . 46 TYR C 1 1 16 14310 1 1 46 TYR CA C 6.916 6.994 -1.466 1.00 . A A . 46 TYR CA 1 1 16 14311 1 1 46 TYR CB C 5.829 6.410 -0.546 1.00 . A A . 46 TYR CB 1 1 16 14312 1 1 46 TYR CD1 C 7.165 5.597 1.453 1.00 . A A . 46 TYR CD1 1 1 16 14313 1 1 46 TYR CD2 C 6.197 3.985 0.013 1.00 . A A . 46 TYR CD2 1 1 16 14314 1 1 46 TYR CE1 C 7.711 4.584 2.221 1.00 . A A . 46 TYR CE1 1 1 16 14315 1 1 46 TYR CE2 C 6.736 2.962 0.752 1.00 . A A . 46 TYR CE2 1 1 16 14316 1 1 46 TYR CG C 6.391 5.304 0.338 1.00 . A A . 46 TYR CG 1 1 16 14317 1 1 46 TYR CZ C 7.496 3.269 1.868 1.00 . A A . 46 TYR CZ 1 1 16 14318 1 1 46 TYR H H 5.635 8.115 -2.787 1.00 . A A . 46 TYR H 1 1 16 14319 1 1 46 TYR HA H 7.700 7.380 -0.834 1.00 . A A . 46 TYR HA 1 1 16 14320 1 1 46 TYR HB2 H 5.441 7.195 0.086 1.00 . A A . 46 TYR HB2 1 1 16 14321 1 1 46 TYR HB3 H 5.032 5.986 -1.144 1.00 . A A . 46 TYR HB3 1 1 16 14322 1 1 46 TYR HD1 H 7.324 6.630 1.721 1.00 . A A . 46 TYR HD1 1 1 16 14323 1 1 46 TYR HD2 H 5.578 3.795 -0.844 1.00 . A A . 46 TYR HD2 1 1 16 14324 1 1 46 TYR HE1 H 8.299 4.837 3.092 1.00 . A A . 46 TYR HE1 1 1 16 14325 1 1 46 TYR HE2 H 6.553 1.941 0.438 1.00 . A A . 46 TYR HE2 1 1 16 14326 1 1 46 TYR HH H 8.431 1.597 2.060 1.00 . A A . 46 TYR HH 1 1 16 14327 1 1 46 TYR N N 6.470 8.084 -2.274 1.00 . A A . 46 TYR N 1 1 16 14328 1 1 46 TYR O O 7.005 5.217 -3.065 1.00 . A A . 46 TYR O 1 1 16 14329 1 1 46 TYR OH O 8.039 2.261 2.629 1.00 . A A . 46 TYR OH 1 1 16 14330 1 1 47 ILE C C 9.709 3.705 -1.777 1.00 . A A . 47 ILE C 1 1 16 14331 1 1 47 ILE CA C 9.716 4.875 -2.705 1.00 . A A . 47 ILE CA 1 1 16 14332 1 1 47 ILE CB C 11.163 5.405 -2.753 1.00 . A A . 47 ILE CB 1 1 16 14333 1 1 47 ILE CD1 C 10.828 7.122 -4.669 1.00 . A A . 47 ILE CD1 1 1 16 14334 1 1 47 ILE CG1 C 11.177 6.877 -3.244 1.00 . A A . 47 ILE CG1 1 1 16 14335 1 1 47 ILE CG2 C 12.070 4.492 -3.609 1.00 . A A . 47 ILE CG2 1 1 16 14336 1 1 47 ILE H H 9.432 6.508 -1.589 1.00 . A A . 47 ILE H 1 1 16 14337 1 1 47 ILE HA H 9.387 4.585 -3.690 1.00 . A A . 47 ILE HA 1 1 16 14338 1 1 47 ILE HB H 11.553 5.374 -1.749 1.00 . A A . 47 ILE HB 1 1 16 14339 1 1 47 ILE HD11 H 10.813 8.190 -4.834 1.00 . A A . 47 ILE HD11 1 1 16 14340 1 1 47 ILE HD12 H 9.852 6.709 -4.886 1.00 . A A . 47 ILE HD12 1 1 16 14341 1 1 47 ILE HD13 H 11.596 6.677 -5.286 1.00 . A A . 47 ILE HD13 1 1 16 14342 1 1 47 ILE HG12 H 10.327 7.331 -2.755 1.00 . A A . 47 ILE HG12 1 1 16 14343 1 1 47 ILE HG13 H 12.094 7.387 -3.000 1.00 . A A . 47 ILE HG13 1 1 16 14344 1 1 47 ILE HG21 H 13.078 4.883 -3.599 1.00 . A A . 47 ILE HG21 1 1 16 14345 1 1 47 ILE HG22 H 11.699 4.463 -4.622 1.00 . A A . 47 ILE HG22 1 1 16 14346 1 1 47 ILE HG23 H 12.077 3.476 -3.225 1.00 . A A . 47 ILE HG23 1 1 16 14347 1 1 47 ILE N N 8.885 5.870 -2.089 1.00 . A A . 47 ILE N 1 1 16 14348 1 1 47 ILE O O 9.748 3.876 -0.563 1.00 . A A . 47 ILE O 1 1 16 14349 1 1 48 CYS C C 10.944 0.901 -1.028 1.00 . A A . 48 CYS C 1 1 16 14350 1 1 48 CYS CA C 9.576 1.406 -1.407 1.00 . A A . 48 CYS CA 1 1 16 14351 1 1 48 CYS CB C 8.780 0.242 -1.978 1.00 . A A . 48 CYS CB 1 1 16 14352 1 1 48 CYS H H 9.699 2.504 -3.288 1.00 . A A . 48 CYS H 1 1 16 14353 1 1 48 CYS HA H 9.080 1.756 -0.514 1.00 . A A . 48 CYS HA 1 1 16 14354 1 1 48 CYS HB2 H 8.482 -0.398 -1.161 1.00 . A A . 48 CYS HB2 1 1 16 14355 1 1 48 CYS HB3 H 7.892 0.616 -2.466 1.00 . A A . 48 CYS HB3 1 1 16 14356 1 1 48 CYS N N 9.666 2.536 -2.305 1.00 . A A . 48 CYS N 1 1 16 14357 1 1 48 CYS O O 11.935 1.223 -1.669 1.00 . A A . 48 CYS O 1 1 16 14358 1 1 48 CYS SG S 9.701 -0.783 -3.144 1.00 . A A . 48 CYS SG 1 1 16 14359 1 1 49 ILE C C 12.996 -1.219 -0.482 1.00 . A A . 49 ILE C 1 1 16 14360 1 1 49 ILE CA C 12.042 -0.596 0.569 1.00 . A A . 49 ILE CA 1 1 16 14361 1 1 49 ILE CB C 11.455 -1.755 1.365 1.00 . A A . 49 ILE CB 1 1 16 14362 1 1 49 ILE CD1 C 10.126 -3.852 0.812 1.00 . A A . 49 ILE CD1 1 1 16 14363 1 1 49 ILE CG1 C 10.274 -2.389 0.610 1.00 . A A . 49 ILE CG1 1 1 16 14364 1 1 49 ILE CG2 C 10.993 -1.279 2.685 1.00 . A A . 49 ILE CG2 1 1 16 14365 1 1 49 ILE H H 10.102 0.340 0.488 1.00 . A A . 49 ILE H 1 1 16 14366 1 1 49 ILE HA H 12.569 0.009 1.286 1.00 . A A . 49 ILE HA 1 1 16 14367 1 1 49 ILE HB H 12.221 -2.490 1.471 1.00 . A A . 49 ILE HB 1 1 16 14368 1 1 49 ILE HD11 H 10.967 -4.266 0.269 1.00 . A A . 49 ILE HD11 1 1 16 14369 1 1 49 ILE HD12 H 9.221 -4.189 0.329 1.00 . A A . 49 ILE HD12 1 1 16 14370 1 1 49 ILE HD13 H 10.147 -4.125 1.857 1.00 . A A . 49 ILE HD13 1 1 16 14371 1 1 49 ILE HG12 H 9.406 -1.911 1.034 1.00 . A A . 49 ILE HG12 1 1 16 14372 1 1 49 ILE HG13 H 10.258 -2.153 -0.442 1.00 . A A . 49 ILE HG13 1 1 16 14373 1 1 49 ILE HG21 H 10.240 -0.545 2.448 1.00 . A A . 49 ILE HG21 1 1 16 14374 1 1 49 ILE HG22 H 11.818 -0.855 3.232 1.00 . A A . 49 ILE HG22 1 1 16 14375 1 1 49 ILE HG23 H 10.541 -2.108 3.205 1.00 . A A . 49 ILE HG23 1 1 16 14376 1 1 49 ILE N N 10.933 0.132 0.034 1.00 . A A . 49 ILE N 1 1 16 14377 1 1 49 ILE O O 14.198 -0.984 -0.436 1.00 . A A . 49 ILE O 1 1 16 14378 1 1 50 ASN C C 13.865 -1.717 -3.396 1.00 . A A . 50 ASN C 1 1 16 14379 1 1 50 ASN CA C 13.251 -2.671 -2.455 1.00 . A A . 50 ASN CA 1 1 16 14380 1 1 50 ASN CB C 12.407 -3.688 -3.235 1.00 . A A . 50 ASN CB 1 1 16 14381 1 1 50 ASN CG C 11.921 -4.808 -2.367 1.00 . A A . 50 ASN CG 1 1 16 14382 1 1 50 ASN H H 11.494 -2.118 -1.359 1.00 . A A . 50 ASN H 1 1 16 14383 1 1 50 ASN HA H 14.041 -3.204 -1.951 1.00 . A A . 50 ASN HA 1 1 16 14384 1 1 50 ASN HB2 H 11.549 -3.174 -3.646 1.00 . A A . 50 ASN HB2 1 1 16 14385 1 1 50 ASN HB3 H 12.985 -4.103 -4.050 1.00 . A A . 50 ASN HB3 1 1 16 14386 1 1 50 ASN HD21 H 10.317 -5.064 -3.505 1.00 . A A . 50 ASN HD21 1 1 16 14387 1 1 50 ASN HD22 H 10.490 -6.116 -2.142 1.00 . A A . 50 ASN HD22 1 1 16 14388 1 1 50 ASN N N 12.454 -1.969 -1.412 1.00 . A A . 50 ASN N 1 1 16 14389 1 1 50 ASN ND2 N 10.795 -5.381 -2.709 1.00 . A A . 50 ASN ND2 1 1 16 14390 1 1 50 ASN O O 14.950 -1.954 -3.919 1.00 . A A . 50 ASN O 1 1 16 14391 1 1 50 ASN OD1 O 12.567 -5.164 -1.392 1.00 . A A . 50 ASN OD1 1 1 16 14392 1 1 51 CYS C C 14.811 1.063 -3.704 1.00 . A A . 51 CYS C 1 1 16 14393 1 1 51 CYS CA C 13.714 0.358 -4.467 1.00 . A A . 51 CYS CA 1 1 16 14394 1 1 51 CYS CB C 12.635 1.255 -5.067 1.00 . A A . 51 CYS CB 1 1 16 14395 1 1 51 CYS H H 12.320 -0.781 -3.152 1.00 . A A . 51 CYS H 1 1 16 14396 1 1 51 CYS HA H 14.211 -0.194 -5.253 1.00 . A A . 51 CYS HA 1 1 16 14397 1 1 51 CYS HB2 H 12.010 1.646 -4.278 1.00 . A A . 51 CYS HB2 1 1 16 14398 1 1 51 CYS HB3 H 13.042 2.084 -5.629 1.00 . A A . 51 CYS HB3 1 1 16 14399 1 1 51 CYS N N 13.169 -0.654 -3.633 1.00 . A A . 51 CYS N 1 1 16 14400 1 1 51 CYS O O 15.975 0.990 -4.085 1.00 . A A . 51 CYS O 1 1 16 14401 1 1 51 CYS SG S 11.559 0.350 -6.204 1.00 . A A . 51 CYS SG 1 1 16 14402 1 1 52 ALA C C 16.473 1.153 -1.270 1.00 . A A . 52 ALA C 1 1 16 14403 1 1 52 ALA CA C 15.442 2.242 -1.667 1.00 . A A . 52 ALA CA 1 1 16 14404 1 1 52 ALA CB C 14.691 2.697 -0.439 1.00 . A A . 52 ALA CB 1 1 16 14405 1 1 52 ALA H H 13.598 2.201 -2.479 1.00 . A A . 52 ALA H 1 1 16 14406 1 1 52 ALA HA H 15.937 3.100 -2.094 1.00 . A A . 52 ALA HA 1 1 16 14407 1 1 52 ALA HB1 H 14.105 1.855 -0.096 1.00 . A A . 52 ALA HB1 1 1 16 14408 1 1 52 ALA HB2 H 14.014 3.490 -0.717 1.00 . A A . 52 ALA HB2 1 1 16 14409 1 1 52 ALA HB3 H 15.360 3.038 0.334 1.00 . A A . 52 ALA HB3 1 1 16 14410 1 1 52 ALA N N 14.454 1.755 -2.647 1.00 . A A . 52 ALA N 1 1 16 14411 2 2 1 ALA C C 1.550 9.387 -3.335 1.00 . B B . 301 ALA C 1 1 16 14412 2 2 1 ALA CA C 2.928 9.718 -2.829 1.00 . B B . 301 ALA CA 1 1 16 14413 2 2 1 ALA CB C 3.364 8.632 -1.866 1.00 . B B . 301 ALA CB 1 1 16 14414 2 2 1 ALA HA H 3.623 9.732 -3.655 1.00 . B B . 301 ALA HA 1 1 16 14415 2 2 1 ALA HB1 H 4.369 8.826 -1.526 1.00 . B B . 301 ALA HB1 1 1 16 14416 2 2 1 ALA HB2 H 3.339 7.681 -2.385 1.00 . B B . 301 ALA HB2 1 1 16 14417 2 2 1 ALA HB3 H 2.694 8.593 -1.019 1.00 . B B . 301 ALA HB3 1 1 16 14418 2 2 1 ALA N N 2.957 11.060 -2.171 1.00 . B B . 301 ALA N 1 1 16 14419 2 2 1 ALA O O 0.529 9.883 -2.803 1.00 . B B . 301 ALA O 1 1 16 14420 2 2 2 ARG C C -0.308 7.025 -3.970 1.00 . B B . 302 ARG C 1 1 16 14421 2 2 2 ARG CA C 0.227 8.135 -4.838 1.00 . B B . 302 ARG CA 1 1 16 14422 2 2 2 ARG CB C 0.232 7.791 -6.330 1.00 . B B . 302 ARG CB 1 1 16 14423 2 2 2 ARG CD C 0.340 8.744 -8.669 1.00 . B B . 302 ARG CD 1 1 16 14424 2 2 2 ARG CG C 0.564 9.004 -7.197 1.00 . B B . 302 ARG CG 1 1 16 14425 2 2 2 ARG CZ C 1.039 7.165 -10.444 1.00 . B B . 302 ARG CZ 1 1 16 14426 2 2 2 ARG H H 2.333 8.216 -4.738 1.00 . B B . 302 ARG H 1 1 16 14427 2 2 2 ARG HA H -0.429 8.977 -4.675 1.00 . B B . 302 ARG HA 1 1 16 14428 2 2 2 ARG HB2 H 0.967 7.023 -6.521 1.00 . B B . 302 ARG HB2 1 1 16 14429 2 2 2 ARG HB3 H -0.745 7.438 -6.622 1.00 . B B . 302 ARG HB3 1 1 16 14430 2 2 2 ARG HD2 H -0.684 8.429 -8.804 1.00 . B B . 302 ARG HD2 1 1 16 14431 2 2 2 ARG HD3 H 0.498 9.665 -9.210 1.00 . B B . 302 ARG HD3 1 1 16 14432 2 2 2 ARG HE H 1.977 7.462 -8.654 1.00 . B B . 302 ARG HE 1 1 16 14433 2 2 2 ARG HG2 H -0.049 9.839 -6.895 1.00 . B B . 302 ARG HG2 1 1 16 14434 2 2 2 ARG HG3 H 1.602 9.254 -7.040 1.00 . B B . 302 ARG HG3 1 1 16 14435 2 2 2 ARG HH11 H -0.744 8.124 -10.841 1.00 . B B . 302 ARG HH11 1 1 16 14436 2 2 2 ARG HH12 H -0.201 7.086 -12.082 1.00 . B B . 302 ARG HH12 1 1 16 14437 2 2 2 ARG HH21 H 2.737 6.048 -10.380 1.00 . B B . 302 ARG HH21 1 1 16 14438 2 2 2 ARG HH22 H 1.885 5.898 -11.834 1.00 . B B . 302 ARG HH22 1 1 16 14439 2 2 2 ARG N N 1.489 8.557 -4.347 1.00 . B B . 302 ARG N 1 1 16 14440 2 2 2 ARG NE N 1.211 7.708 -9.228 1.00 . B B . 302 ARG NE 1 1 16 14441 2 2 2 ARG NH1 N -0.043 7.484 -11.176 1.00 . B B . 302 ARG NH1 1 1 16 14442 2 2 2 ARG NH2 N 1.930 6.313 -10.921 1.00 . B B . 302 ARG NH2 1 1 16 14443 2 2 2 ARG O O 0.298 5.970 -3.812 1.00 . B B . 302 ARG O 1 1 16 14444 2 2 3 THR C C -3.471 6.179 -2.819 1.00 . B B . 303 THR C 1 1 16 14445 2 2 3 THR CA C -2.022 6.405 -2.448 1.00 . B B . 303 THR CA 1 1 16 14446 2 2 3 THR CB C -1.922 7.012 -1.035 1.00 . B B . 303 THR CB 1 1 16 14447 2 2 3 THR CG2 C -0.531 6.860 -0.491 1.00 . B B . 303 THR CG2 1 1 16 14448 2 2 3 THR H H -1.883 8.140 -3.533 1.00 . B B . 303 THR H 1 1 16 14449 2 2 3 THR HA H -1.477 5.469 -2.447 1.00 . B B . 303 THR HA 1 1 16 14450 2 2 3 THR HB H -2.616 6.499 -0.386 1.00 . B B . 303 THR HB 1 1 16 14451 2 2 3 THR HG1 H -1.466 8.923 -1.208 1.00 . B B . 303 THR HG1 1 1 16 14452 2 2 3 THR HG21 H -0.472 7.297 0.500 1.00 . B B . 303 THR HG21 1 1 16 14453 2 2 3 THR HG22 H 0.158 7.357 -1.158 1.00 . B B . 303 THR HG22 1 1 16 14454 2 2 3 THR HG23 H -0.301 5.803 -0.468 1.00 . B B . 303 THR HG23 1 1 16 14455 2 2 3 THR N N -1.413 7.294 -3.373 1.00 . B B . 303 THR N 1 1 16 14456 2 2 3 THR O O -4.005 6.866 -3.703 1.00 . B B . 303 THR O 1 1 16 14457 2 2 3 THR OG1 O -2.274 8.410 -1.077 1.00 . B B . 303 THR OG1 1 1 16 14458 2 2 4 . C C -6.150 4.369 -1.199 1.00 . B B . 304 M3L C 1 1 16 14459 2 2 4 . CA C -5.516 4.977 -2.412 1.00 . B B . 304 M3L CA 1 1 16 14460 2 2 4 . CB C -5.794 4.053 -3.629 1.00 . B B . 304 M3L CB 1 1 16 14461 2 2 4 . CD C -5.575 1.710 -4.635 1.00 . B B . 304 M3L CD 1 1 16 14462 2 2 4 . CE C -5.354 2.204 -6.024 1.00 . B B . 304 M3L CE 1 1 16 14463 2 2 4 . CG C -5.133 2.714 -3.554 1.00 . B B . 304 M3L CG 1 1 16 14464 2 2 4 . CM1 C -4.908 -0.113 -6.880 1.00 . B B . 304 M3L CM1 1 1 16 14465 2 2 4 . CM2 C -5.299 1.761 -8.393 1.00 . B B . 304 M3L CM2 1 1 16 14466 2 2 4 . CM3 C -7.106 0.822 -7.093 1.00 . B B . 304 M3L CM3 1 1 16 14467 2 2 4 . H H -3.630 4.661 -1.517 1.00 . B B . 304 M3L H 1 1 16 14468 2 2 4 . HA H -5.995 5.929 -2.591 1.00 . B B . 304 M3L HA 1 1 16 14469 2 2 4 . HB2 H -5.567 4.537 -4.568 1.00 . B B . 304 M3L HB2 1 1 16 14470 2 2 4 . HB3 H -6.839 3.812 -3.540 1.00 . B B . 304 M3L HB3 1 1 16 14471 2 2 4 . HD2 H -6.612 1.442 -4.504 1.00 . B B . 304 M3L HD2 1 1 16 14472 2 2 4 . HD3 H -4.935 0.844 -4.550 1.00 . B B . 304 M3L HD3 1 1 16 14473 2 2 4 . HE2 H -4.329 2.529 -6.123 1.00 . B B . 304 M3L HE2 1 1 16 14474 2 2 4 . HE3 H -6.022 3.047 -6.128 1.00 . B B . 304 M3L HE3 1 1 16 14475 2 2 4 . HG2 H -5.417 2.320 -2.593 1.00 . B B . 304 M3L HG2 1 1 16 14476 2 2 4 . HG3 H -4.063 2.823 -3.604 1.00 . B B . 304 M3L HG3 1 1 16 14477 2 2 4 . HM11 H -5.094 -0.608 -5.934 1.00 . B B . 304 M3L HM11 1 1 16 14478 2 2 4 . HM12 H -3.837 0.032 -6.928 1.00 . B B . 304 M3L HM12 1 1 16 14479 2 2 4 . HM13 H -5.113 -0.848 -7.646 1.00 . B B . 304 M3L HM13 1 1 16 14480 2 2 4 . HM21 H -6.128 2.196 -8.928 1.00 . B B . 304 M3L HM21 1 1 16 14481 2 2 4 . HM22 H -4.820 1.061 -9.062 1.00 . B B . 304 M3L HM22 1 1 16 14482 2 2 4 . HM23 H -4.586 2.556 -8.225 1.00 . B B . 304 M3L HM23 1 1 16 14483 2 2 4 . HM31 H -7.362 0.060 -6.372 1.00 . B B . 304 M3L HM31 1 1 16 14484 2 2 4 . HM32 H -7.441 0.451 -8.049 1.00 . B B . 304 M3L HM32 1 1 16 14485 2 2 4 . HM33 H -7.738 1.667 -6.866 1.00 . B B . 304 M3L HM33 1 1 16 14486 2 2 4 . N N -4.100 5.220 -2.181 1.00 . B B . 304 M3L N 1 1 16 14487 2 2 4 . NZ N -5.676 1.163 -7.092 1.00 . B B . 304 M3L NZ 1 1 16 14488 2 2 4 . O O -5.468 4.000 -0.242 1.00 . B B . 304 M3L O 1 1 16 14489 2 2 5 GLN C C -9.358 2.930 -0.996 1.00 . B B . 305 GLN C 1 1 16 14490 2 2 5 GLN CA C -8.245 3.621 -0.270 1.00 . B B . 305 GLN CA 1 1 16 14491 2 2 5 GLN CB C -8.824 4.655 0.726 1.00 . B B . 305 GLN CB 1 1 16 14492 2 2 5 GLN CD C -10.293 5.061 2.777 1.00 . B B . 305 GLN CD 1 1 16 14493 2 2 5 GLN CG C -9.699 4.038 1.823 1.00 . B B . 305 GLN CG 1 1 16 14494 2 2 5 GLN H H -7.889 4.573 -2.079 1.00 . B B . 305 GLN H 1 1 16 14495 2 2 5 GLN HA H -7.651 2.889 0.258 1.00 . B B . 305 GLN HA 1 1 16 14496 2 2 5 GLN HB2 H -8.009 5.180 1.201 1.00 . B B . 305 GLN HB2 1 1 16 14497 2 2 5 GLN HB3 H -9.425 5.368 0.181 1.00 . B B . 305 GLN HB3 1 1 16 14498 2 2 5 GLN HE21 H -11.917 5.254 1.638 1.00 . B B . 305 GLN HE21 1 1 16 14499 2 2 5 GLN HE22 H -11.871 6.198 3.070 1.00 . B B . 305 GLN HE22 1 1 16 14500 2 2 5 GLN HG2 H -10.515 3.515 1.348 1.00 . B B . 305 GLN HG2 1 1 16 14501 2 2 5 GLN HG3 H -9.098 3.342 2.388 1.00 . B B . 305 GLN HG3 1 1 16 14502 2 2 5 GLN N N -7.437 4.242 -1.275 1.00 . B B . 305 GLN N 1 1 16 14503 2 2 5 GLN NE2 N -11.467 5.548 2.459 1.00 . B B . 305 GLN NE2 1 1 16 14504 2 2 5 GLN O O -10.294 3.563 -1.460 1.00 . B B . 305 GLN O 1 1 16 14505 2 2 5 GLN OE1 O -9.697 5.397 3.803 1.00 . B B . 305 GLN OE1 1 1 16 14506 2 2 6 THR C C -10.457 -0.349 -1.095 1.00 . B B . 306 THR C 1 1 16 14507 2 2 6 THR CA C -10.191 0.914 -1.871 1.00 . B B . 306 THR CA 1 1 16 14508 2 2 6 THR CB C -9.746 0.626 -3.348 1.00 . B B . 306 THR CB 1 1 16 14509 2 2 6 THR CG2 C -8.576 -0.332 -3.406 1.00 . B B . 306 THR CG2 1 1 16 14510 2 2 6 THR H H -8.466 1.177 -0.764 1.00 . B B . 306 THR H 1 1 16 14511 2 2 6 THR HA H -11.096 1.495 -1.880 1.00 . B B . 306 THR HA 1 1 16 14512 2 2 6 THR HB H -9.458 1.562 -3.803 1.00 . B B . 306 THR HB 1 1 16 14513 2 2 6 THR HG1 H -11.139 0.774 -4.692 1.00 . B B . 306 THR HG1 1 1 16 14514 2 2 6 THR HG21 H -7.728 0.083 -2.879 1.00 . B B . 306 THR HG21 1 1 16 14515 2 2 6 THR HG22 H -8.300 -0.527 -4.430 1.00 . B B . 306 THR HG22 1 1 16 14516 2 2 6 THR HG23 H -8.857 -1.257 -2.928 1.00 . B B . 306 THR HG23 1 1 16 14517 2 2 6 THR N N -9.223 1.662 -1.162 1.00 . B B . 306 THR N 1 1 16 14518 2 2 6 THR O O -9.599 -0.782 -0.304 1.00 . B B . 306 THR O 1 1 16 14519 2 2 6 THR OG1 O -10.834 0.077 -4.102 1.00 . B B . 306 THR OG1 1 1 16 14520 2 2 7 ALA C C -11.202 -3.306 -0.927 1.00 . B B . 307 ALA C 1 1 16 14521 2 2 7 ALA CA C -12.015 -2.076 -0.528 1.00 . B B . 307 ALA CA 1 1 16 14522 2 2 7 ALA CB C -13.519 -2.306 -0.623 1.00 . B B . 307 ALA CB 1 1 16 14523 2 2 7 ALA H H -12.257 -0.562 -1.941 1.00 . B B . 307 ALA H 1 1 16 14524 2 2 7 ALA HA H -11.776 -1.847 0.496 1.00 . B B . 307 ALA HA 1 1 16 14525 2 2 7 ALA HB1 H -14.009 -1.405 -0.272 1.00 . B B . 307 ALA HB1 1 1 16 14526 2 2 7 ALA HB2 H -13.792 -3.117 0.039 1.00 . B B . 307 ALA HB2 1 1 16 14527 2 2 7 ALA HB3 H -13.819 -2.515 -1.638 1.00 . B B . 307 ALA HB3 1 1 16 14528 2 2 7 ALA N N -11.631 -0.917 -1.273 1.00 . B B . 307 ALA N 1 1 16 14529 2 2 7 ALA O O -10.285 -3.706 -0.213 1.00 . B B . 307 ALA O 1 1 16 14530 2 2 8 ARG C C -10.573 -5.066 -4.012 1.00 . B B . 308 ARG C 1 1 16 14531 2 2 8 ARG CA C -10.813 -5.081 -2.511 1.00 . B B . 308 ARG CA 1 1 16 14532 2 2 8 ARG CB C -11.559 -6.363 -2.083 1.00 . B B . 308 ARG CB 1 1 16 14533 2 2 8 ARG CD C -12.313 -7.829 -0.166 1.00 . B B . 308 ARG CD 1 1 16 14534 2 2 8 ARG CG C -11.666 -6.524 -0.570 1.00 . B B . 308 ARG CG 1 1 16 14535 2 2 8 ARG CZ C -14.572 -8.833 -0.106 1.00 . B B . 308 ARG CZ 1 1 16 14536 2 2 8 ARG H H -12.200 -3.492 -2.644 1.00 . B B . 308 ARG H 1 1 16 14537 2 2 8 ARG HA H -9.849 -5.070 -2.025 1.00 . B B . 308 ARG HA 1 1 16 14538 2 2 8 ARG HB2 H -12.556 -6.337 -2.498 1.00 . B B . 308 ARG HB2 1 1 16 14539 2 2 8 ARG HB3 H -11.031 -7.217 -2.484 1.00 . B B . 308 ARG HB3 1 1 16 14540 2 2 8 ARG HD2 H -11.740 -8.641 -0.590 1.00 . B B . 308 ARG HD2 1 1 16 14541 2 2 8 ARG HD3 H -12.307 -7.896 0.913 1.00 . B B . 308 ARG HD3 1 1 16 14542 2 2 8 ARG HE H -13.954 -7.410 -1.400 1.00 . B B . 308 ARG HE 1 1 16 14543 2 2 8 ARG HG2 H -10.682 -6.471 -0.126 1.00 . B B . 308 ARG HG2 1 1 16 14544 2 2 8 ARG HG3 H -12.255 -5.704 -0.184 1.00 . B B . 308 ARG HG3 1 1 16 14545 2 2 8 ARG HH11 H -13.360 -9.433 1.433 1.00 . B B . 308 ARG HH11 1 1 16 14546 2 2 8 ARG HH12 H -14.879 -10.193 1.401 1.00 . B B . 308 ARG HH12 1 1 16 14547 2 2 8 ARG HH21 H -16.057 -8.412 -1.434 1.00 . B B . 308 ARG HH21 1 1 16 14548 2 2 8 ARG HH22 H -16.451 -9.621 -0.282 1.00 . B B . 308 ARG HH22 1 1 16 14549 2 2 8 ARG N N -11.507 -3.885 -2.072 1.00 . B B . 308 ARG N 1 1 16 14550 2 2 8 ARG NE N -13.693 -7.969 -0.634 1.00 . B B . 308 ARG NE 1 1 16 14551 2 2 8 ARG NH1 N -14.248 -9.532 0.982 1.00 . B B . 308 ARG NH1 1 1 16 14552 2 2 8 ARG NH2 N -15.784 -8.958 -0.637 1.00 . B B . 308 ARG NH2 1 1 16 14553 2 2 8 ARG O O -11.450 -4.677 -4.797 1.00 . B B . 308 ARG O 1 1 16 14554 2 2 9 LYS C C -9.823 -6.575 -6.601 1.00 . B B . 309 LYS C 1 1 16 14555 2 2 9 LYS CA C -9.000 -5.527 -5.827 1.00 . B B . 309 LYS CA 1 1 16 14556 2 2 9 LYS CB C -7.505 -5.835 -5.936 1.00 . B B . 309 LYS CB 1 1 16 14557 2 2 9 LYS CD C -5.452 -6.152 -7.312 1.00 . B B . 309 LYS CD 1 1 16 14558 2 2 9 LYS CE C -4.826 -6.114 -8.707 1.00 . B B . 309 LYS CE 1 1 16 14559 2 2 9 LYS CG C -6.939 -5.851 -7.346 1.00 . B B . 309 LYS CG 1 1 16 14560 2 2 9 LYS H H -8.715 -5.777 -3.752 1.00 . B B . 309 LYS H 1 1 16 14561 2 2 9 LYS HA H -9.183 -4.551 -6.253 1.00 . B B . 309 LYS HA 1 1 16 14562 2 2 9 LYS HB2 H -6.966 -5.081 -5.382 1.00 . B B . 309 LYS HB2 1 1 16 14563 2 2 9 LYS HB3 H -7.327 -6.800 -5.485 1.00 . B B . 309 LYS HB3 1 1 16 14564 2 2 9 LYS HD2 H -4.971 -5.439 -6.661 1.00 . B B . 309 LYS HD2 1 1 16 14565 2 2 9 LYS HD3 H -5.315 -7.141 -6.895 1.00 . B B . 309 LYS HD3 1 1 16 14566 2 2 9 LYS HE2 H -5.012 -5.138 -9.130 1.00 . B B . 309 LYS HE2 1 1 16 14567 2 2 9 LYS HE3 H -3.764 -6.275 -8.610 1.00 . B B . 309 LYS HE3 1 1 16 14568 2 2 9 LYS HG2 H -7.451 -6.614 -7.915 1.00 . B B . 309 LYS HG2 1 1 16 14569 2 2 9 LYS HG3 H -7.101 -4.888 -7.809 1.00 . B B . 309 LYS HG3 1 1 16 14570 2 2 9 LYS HZ1 H -4.918 -7.107 -10.533 1.00 . B B . 309 LYS HZ1 1 1 16 14571 2 2 9 LYS HZ2 H -6.416 -7.000 -9.757 1.00 . B B . 309 LYS HZ2 1 1 16 14572 2 2 9 LYS HZ3 H -5.290 -8.094 -9.203 1.00 . B B . 309 LYS HZ3 1 1 16 14573 2 2 9 LYS N N -9.382 -5.483 -4.412 1.00 . B B . 309 LYS N 1 1 16 14574 2 2 9 LYS NZ N -5.398 -7.145 -9.613 1.00 . B B . 309 LYS NZ 1 1 16 14575 3 3 1 ZN ZN ZN 9.492 0.090 -5.251 1.00 . C A . 53 ZN ZN 1 1 16 14576 4 3 1 ZN ZN ZN -0.023 -5.727 1.253 1.00 . D A . 54 ZN ZN 1 1 17 14577 1 1 1 SER C C -5.053 -8.629 -1.503 1.00 . A A . 1 SER C 1 1 17 14578 1 1 1 SER CA C -6.525 -8.699 -1.949 1.00 . A A . 1 SER CA 1 1 17 14579 1 1 1 SER CB C -6.939 -10.161 -2.280 1.00 . A A . 1 SER CB 1 1 17 14580 1 1 1 SER HA H -7.128 -8.329 -1.132 1.00 . A A . 1 SER HA 1 1 17 14581 1 1 1 SER HB2 H -6.708 -10.791 -1.433 1.00 . A A . 1 SER HB2 1 1 17 14582 1 1 1 SER HB3 H -8.002 -10.201 -2.463 1.00 . A A . 1 SER HB3 1 1 17 14583 1 1 1 SER HG H -6.763 -11.435 -3.734 1.00 . A A . 1 SER HG 1 1 17 14584 1 1 1 SER N N -6.764 -7.812 -3.111 1.00 . A A . 1 SER N 1 1 17 14585 1 1 1 SER O O -4.742 -8.299 -0.330 1.00 . A A . 1 SER O 1 1 17 14586 1 1 1 SER OG O -6.255 -10.682 -3.418 1.00 . A A . 1 SER OG 1 1 17 14587 1 1 2 VAL C C -2.038 -7.757 -2.820 1.00 . A A . 2 VAL C 1 1 17 14588 1 1 2 VAL CA C -2.747 -8.937 -2.152 1.00 . A A . 2 VAL CA 1 1 17 14589 1 1 2 VAL CB C -2.062 -10.249 -2.644 1.00 . A A . 2 VAL CB 1 1 17 14590 1 1 2 VAL CG1 C -0.665 -10.404 -2.034 1.00 . A A . 2 VAL CG1 1 1 17 14591 1 1 2 VAL CG2 C -2.914 -11.483 -2.406 1.00 . A A . 2 VAL CG2 1 1 17 14592 1 1 2 VAL H H -4.466 -9.041 -3.355 1.00 . A A . 2 VAL H 1 1 17 14593 1 1 2 VAL HA H -2.650 -8.872 -1.076 1.00 . A A . 2 VAL HA 1 1 17 14594 1 1 2 VAL HB H -1.906 -10.130 -3.706 1.00 . A A . 2 VAL HB 1 1 17 14595 1 1 2 VAL HG11 H -0.724 -10.430 -0.957 1.00 . A A . 2 VAL HG11 1 1 17 14596 1 1 2 VAL HG12 H -0.053 -9.554 -2.304 1.00 . A A . 2 VAL HG12 1 1 17 14597 1 1 2 VAL HG13 H -0.206 -11.311 -2.390 1.00 . A A . 2 VAL HG13 1 1 17 14598 1 1 2 VAL HG21 H -3.843 -11.387 -2.948 1.00 . A A . 2 VAL HG21 1 1 17 14599 1 1 2 VAL HG22 H -3.119 -11.597 -1.355 1.00 . A A . 2 VAL HG22 1 1 17 14600 1 1 2 VAL HG23 H -2.378 -12.349 -2.762 1.00 . A A . 2 VAL HG23 1 1 17 14601 1 1 2 VAL N N -4.150 -8.891 -2.439 1.00 . A A . 2 VAL N 1 1 17 14602 1 1 2 VAL O O -2.395 -7.338 -3.918 1.00 . A A . 2 VAL O 1 1 17 14603 1 1 3 CYS C C 1.097 -6.825 -2.916 1.00 . A A . 3 CYS C 1 1 17 14604 1 1 3 CYS CA C -0.244 -6.163 -2.603 1.00 . A A . 3 CYS CA 1 1 17 14605 1 1 3 CYS CB C -0.002 -5.217 -1.482 1.00 . A A . 3 CYS CB 1 1 17 14606 1 1 3 CYS H H -0.849 -7.587 -1.251 1.00 . A A . 3 CYS H 1 1 17 14607 1 1 3 CYS HA H -0.670 -5.664 -3.461 1.00 . A A . 3 CYS HA 1 1 17 14608 1 1 3 CYS HB2 H 0.375 -4.298 -1.907 1.00 . A A . 3 CYS HB2 1 1 17 14609 1 1 3 CYS HB3 H -0.919 -5.030 -0.941 1.00 . A A . 3 CYS HB3 1 1 17 14610 1 1 3 CYS N N -1.082 -7.232 -2.132 1.00 . A A . 3 CYS N 1 1 17 14611 1 1 3 CYS O O 1.245 -8.023 -2.660 1.00 . A A . 3 CYS O 1 1 17 14612 1 1 3 CYS SG S 1.201 -5.881 -0.319 1.00 . A A . 3 CYS SG 1 1 17 14613 1 1 4 ALA C C 4.386 -6.395 -2.617 1.00 . A A . 4 ALA C 1 1 17 14614 1 1 4 ALA CA C 3.307 -6.829 -3.601 1.00 . A A . 4 ALA CA 1 1 17 14615 1 1 4 ALA CB C 3.810 -6.706 -5.000 1.00 . A A . 4 ALA CB 1 1 17 14616 1 1 4 ALA H H 1.835 -5.176 -3.592 1.00 . A A . 4 ALA H 1 1 17 14617 1 1 4 ALA HA H 3.083 -7.871 -3.427 1.00 . A A . 4 ALA HA 1 1 17 14618 1 1 4 ALA HB1 H 4.098 -5.675 -5.129 1.00 . A A . 4 ALA HB1 1 1 17 14619 1 1 4 ALA HB2 H 3.033 -7.000 -5.689 1.00 . A A . 4 ALA HB2 1 1 17 14620 1 1 4 ALA HB3 H 4.675 -7.341 -5.101 1.00 . A A . 4 ALA HB3 1 1 17 14621 1 1 4 ALA N N 2.072 -6.115 -3.438 1.00 . A A . 4 ALA N 1 1 17 14622 1 1 4 ALA O O 5.362 -5.733 -2.972 1.00 . A A . 4 ALA O 1 1 17 14623 1 1 5 ALA C C 5.598 -8.180 -0.035 1.00 . A A . 5 ALA C 1 1 17 14624 1 1 5 ALA CA C 5.221 -6.744 -0.366 1.00 . A A . 5 ALA CA 1 1 17 14625 1 1 5 ALA CB C 4.806 -5.972 0.894 1.00 . A A . 5 ALA CB 1 1 17 14626 1 1 5 ALA H H 3.219 -6.584 -1.136 1.00 . A A . 5 ALA H 1 1 17 14627 1 1 5 ALA HA H 6.076 -6.253 -0.806 1.00 . A A . 5 ALA HA 1 1 17 14628 1 1 5 ALA HB1 H 3.909 -6.394 1.323 1.00 . A A . 5 ALA HB1 1 1 17 14629 1 1 5 ALA HB2 H 4.633 -4.930 0.653 1.00 . A A . 5 ALA HB2 1 1 17 14630 1 1 5 ALA HB3 H 5.604 -6.030 1.621 1.00 . A A . 5 ALA HB3 1 1 17 14631 1 1 5 ALA N N 4.156 -6.720 -1.361 1.00 . A A . 5 ALA N 1 1 17 14632 1 1 5 ALA O O 4.723 -9.030 0.126 1.00 . A A . 5 ALA O 1 1 17 14633 1 1 6 GLN C C 6.835 -10.589 1.380 1.00 . A A . 6 GLN C 1 1 17 14634 1 1 6 GLN CA C 7.524 -9.753 0.285 1.00 . A A . 6 GLN CA 1 1 17 14635 1 1 6 GLN CB C 9.011 -9.586 0.615 1.00 . A A . 6 GLN CB 1 1 17 14636 1 1 6 GLN CD C 11.258 -8.723 -0.112 1.00 . A A . 6 GLN CD 1 1 17 14637 1 1 6 GLN CG C 9.814 -8.904 -0.488 1.00 . A A . 6 GLN CG 1 1 17 14638 1 1 6 GLN H H 7.512 -7.662 -0.118 1.00 . A A . 6 GLN H 1 1 17 14639 1 1 6 GLN HA H 7.454 -10.301 -0.643 1.00 . A A . 6 GLN HA 1 1 17 14640 1 1 6 GLN HB2 H 9.115 -9.000 1.517 1.00 . A A . 6 GLN HB2 1 1 17 14641 1 1 6 GLN HB3 H 9.443 -10.558 0.785 1.00 . A A . 6 GLN HB3 1 1 17 14642 1 1 6 GLN HE21 H 11.709 -10.503 -0.842 1.00 . A A . 6 GLN HE21 1 1 17 14643 1 1 6 GLN HE22 H 13.006 -9.587 -0.147 1.00 . A A . 6 GLN HE22 1 1 17 14644 1 1 6 GLN HG2 H 9.775 -9.516 -1.374 1.00 . A A . 6 GLN HG2 1 1 17 14645 1 1 6 GLN HG3 H 9.377 -7.938 -0.693 1.00 . A A . 6 GLN HG3 1 1 17 14646 1 1 6 GLN N N 6.915 -8.417 0.056 1.00 . A A . 6 GLN N 1 1 17 14647 1 1 6 GLN NE2 N 12.066 -9.702 -0.404 1.00 . A A . 6 GLN NE2 1 1 17 14648 1 1 6 GLN O O 6.492 -11.753 1.147 1.00 . A A . 6 GLN O 1 1 17 14649 1 1 6 GLN OE1 O 11.644 -7.703 0.456 1.00 . A A . 6 GLN OE1 1 1 17 14650 1 1 7 ASN C C 4.719 -10.048 4.028 1.00 . A A . 7 ASN C 1 1 17 14651 1 1 7 ASN CA C 5.975 -10.768 3.602 1.00 . A A . 7 ASN CA 1 1 17 14652 1 1 7 ASN CB C 6.931 -11.028 4.794 1.00 . A A . 7 ASN CB 1 1 17 14653 1 1 7 ASN CG C 6.347 -11.937 5.880 1.00 . A A . 7 ASN CG 1 1 17 14654 1 1 7 ASN H H 6.946 -9.101 2.643 1.00 . A A . 7 ASN H 1 1 17 14655 1 1 7 ASN HA H 5.673 -11.717 3.180 1.00 . A A . 7 ASN HA 1 1 17 14656 1 1 7 ASN HB2 H 7.820 -11.502 4.415 1.00 . A A . 7 ASN HB2 1 1 17 14657 1 1 7 ASN HB3 H 7.202 -10.086 5.243 1.00 . A A . 7 ASN HB3 1 1 17 14658 1 1 7 ASN HD21 H 7.047 -13.538 4.941 1.00 . A A . 7 ASN HD21 1 1 17 14659 1 1 7 ASN HD22 H 6.182 -13.841 6.405 1.00 . A A . 7 ASN HD22 1 1 17 14660 1 1 7 ASN N N 6.632 -10.023 2.535 1.00 . A A . 7 ASN N 1 1 17 14661 1 1 7 ASN ND2 N 6.544 -13.231 5.729 1.00 . A A . 7 ASN ND2 1 1 17 14662 1 1 7 ASN O O 4.688 -9.360 5.030 1.00 . A A . 7 ASN O 1 1 17 14663 1 1 7 ASN OD1 O 5.743 -11.483 6.841 1.00 . A A . 7 ASN OD1 1 1 17 14664 1 1 8 CYS C C 1.428 -10.457 3.973 1.00 . A A . 8 CYS C 1 1 17 14665 1 1 8 CYS CA C 2.494 -9.464 3.459 1.00 . A A . 8 CYS CA 1 1 17 14666 1 1 8 CYS CB C 1.927 -8.683 2.276 1.00 . A A . 8 CYS CB 1 1 17 14667 1 1 8 CYS H H 3.872 -10.547 2.317 1.00 . A A . 8 CYS H 1 1 17 14668 1 1 8 CYS HA H 2.694 -8.761 4.252 1.00 . A A . 8 CYS HA 1 1 17 14669 1 1 8 CYS HB2 H 2.623 -8.007 1.805 1.00 . A A . 8 CYS HB2 1 1 17 14670 1 1 8 CYS HB3 H 1.608 -9.397 1.529 1.00 . A A . 8 CYS HB3 1 1 17 14671 1 1 8 CYS N N 3.741 -10.083 3.168 1.00 . A A . 8 CYS N 1 1 17 14672 1 1 8 CYS O O 1.471 -11.643 3.674 1.00 . A A . 8 CYS O 1 1 17 14673 1 1 8 CYS SG S 0.447 -7.802 2.763 1.00 . A A . 8 CYS SG 1 1 17 14674 1 1 9 GLN C C -1.852 -10.099 4.286 1.00 . A A . 9 GLN C 1 1 17 14675 1 1 9 GLN CA C -0.684 -10.622 5.138 1.00 . A A . 9 GLN CA 1 1 17 14676 1 1 9 GLN CB C -0.990 -10.471 6.632 1.00 . A A . 9 GLN CB 1 1 17 14677 1 1 9 GLN CD C -0.330 -11.019 8.999 1.00 . A A . 9 GLN CD 1 1 17 14678 1 1 9 GLN CG C 0.088 -11.036 7.546 1.00 . A A . 9 GLN CG 1 1 17 14679 1 1 9 GLN H H 0.832 -9.010 4.879 1.00 . A A . 9 GLN H 1 1 17 14680 1 1 9 GLN HA H -0.533 -11.665 4.895 1.00 . A A . 9 GLN HA 1 1 17 14681 1 1 9 GLN HB2 H -1.115 -9.425 6.866 1.00 . A A . 9 GLN HB2 1 1 17 14682 1 1 9 GLN HB3 H -1.916 -10.982 6.846 1.00 . A A . 9 GLN HB3 1 1 17 14683 1 1 9 GLN HE21 H -1.107 -12.838 8.827 1.00 . A A . 9 GLN HE21 1 1 17 14684 1 1 9 GLN HE22 H -1.226 -12.133 10.386 1.00 . A A . 9 GLN HE22 1 1 17 14685 1 1 9 GLN HG2 H 0.281 -12.062 7.261 1.00 . A A . 9 GLN HG2 1 1 17 14686 1 1 9 GLN HG3 H 0.983 -10.443 7.430 1.00 . A A . 9 GLN HG3 1 1 17 14687 1 1 9 GLN N N 0.508 -9.922 4.742 1.00 . A A . 9 GLN N 1 1 17 14688 1 1 9 GLN NE2 N -0.945 -12.092 9.447 1.00 . A A . 9 GLN NE2 1 1 17 14689 1 1 9 GLN O O -1.943 -8.902 4.011 1.00 . A A . 9 GLN O 1 1 17 14690 1 1 9 GLN OE1 O -0.100 -10.034 9.724 1.00 . A A . 9 GLN OE1 1 1 17 14691 1 1 10 ARG C C -5.035 -10.319 3.963 1.00 . A A . 10 ARG C 1 1 17 14692 1 1 10 ARG CA C -3.858 -10.652 3.055 1.00 . A A . 10 ARG CA 1 1 17 14693 1 1 10 ARG CB C -4.245 -11.867 2.185 1.00 . A A . 10 ARG CB 1 1 17 14694 1 1 10 ARG CD C -3.642 -13.563 0.415 1.00 . A A . 10 ARG CD 1 1 17 14695 1 1 10 ARG CG C -3.163 -12.361 1.244 1.00 . A A . 10 ARG CG 1 1 17 14696 1 1 10 ARG CZ C -4.677 -15.811 0.867 1.00 . A A . 10 ARG CZ 1 1 17 14697 1 1 10 ARG H H -2.748 -11.887 4.194 1.00 . A A . 10 ARG H 1 1 17 14698 1 1 10 ARG HA H -3.618 -9.813 2.416 1.00 . A A . 10 ARG HA 1 1 17 14699 1 1 10 ARG HB2 H -4.503 -12.684 2.839 1.00 . A A . 10 ARG HB2 1 1 17 14700 1 1 10 ARG HB3 H -5.114 -11.616 1.595 1.00 . A A . 10 ARG HB3 1 1 17 14701 1 1 10 ARG HD2 H -4.561 -13.295 -0.083 1.00 . A A . 10 ARG HD2 1 1 17 14702 1 1 10 ARG HD3 H -2.892 -13.800 -0.326 1.00 . A A . 10 ARG HD3 1 1 17 14703 1 1 10 ARG HE H -3.403 -14.806 2.085 1.00 . A A . 10 ARG HE 1 1 17 14704 1 1 10 ARG HG2 H -2.866 -11.556 0.590 1.00 . A A . 10 ARG HG2 1 1 17 14705 1 1 10 ARG HG3 H -2.312 -12.662 1.835 1.00 . A A . 10 ARG HG3 1 1 17 14706 1 1 10 ARG HH11 H -5.371 -14.998 -0.891 1.00 . A A . 10 ARG HH11 1 1 17 14707 1 1 10 ARG HH12 H -5.964 -16.546 -0.536 1.00 . A A . 10 ARG HH12 1 1 17 14708 1 1 10 ARG HH21 H -4.233 -16.958 2.501 1.00 . A A . 10 ARG HH21 1 1 17 14709 1 1 10 ARG HH22 H -5.319 -17.678 1.409 1.00 . A A . 10 ARG HH22 1 1 17 14710 1 1 10 ARG N N -2.727 -10.973 3.890 1.00 . A A . 10 ARG N 1 1 17 14711 1 1 10 ARG NE N -3.895 -14.767 1.232 1.00 . A A . 10 ARG NE 1 1 17 14712 1 1 10 ARG NH1 N -5.385 -15.772 -0.264 1.00 . A A . 10 ARG NH1 1 1 17 14713 1 1 10 ARG NH2 N -4.752 -16.881 1.645 1.00 . A A . 10 ARG NH2 1 1 17 14714 1 1 10 ARG O O -5.605 -11.218 4.596 1.00 . A A . 10 ARG O 1 1 17 14715 1 1 11 PRO C C -7.850 -8.850 4.262 1.00 . A A . 11 PRO C 1 1 17 14716 1 1 11 PRO CA C -6.490 -8.640 4.932 1.00 . A A . 11 PRO CA 1 1 17 14717 1 1 11 PRO CB C -6.213 -7.154 5.173 1.00 . A A . 11 PRO CB 1 1 17 14718 1 1 11 PRO CD C -4.739 -7.904 3.409 1.00 . A A . 11 PRO CD 1 1 17 14719 1 1 11 PRO CG C -5.434 -6.694 3.974 1.00 . A A . 11 PRO CG 1 1 17 14720 1 1 11 PRO HA H -6.473 -9.169 5.873 1.00 . A A . 11 PRO HA 1 1 17 14721 1 1 11 PRO HB2 H -7.156 -6.634 5.260 1.00 . A A . 11 PRO HB2 1 1 17 14722 1 1 11 PRO HB3 H -5.640 -7.038 6.082 1.00 . A A . 11 PRO HB3 1 1 17 14723 1 1 11 PRO HD2 H -4.827 -7.969 2.328 1.00 . A A . 11 PRO HD2 1 1 17 14724 1 1 11 PRO HD3 H -3.690 -7.876 3.671 1.00 . A A . 11 PRO HD3 1 1 17 14725 1 1 11 PRO HG2 H -6.106 -6.278 3.240 1.00 . A A . 11 PRO HG2 1 1 17 14726 1 1 11 PRO HG3 H -4.712 -5.948 4.264 1.00 . A A . 11 PRO HG3 1 1 17 14727 1 1 11 PRO N N -5.395 -9.046 4.082 1.00 . A A . 11 PRO N 1 1 17 14728 1 1 11 PRO O O -8.720 -9.536 4.800 1.00 . A A . 11 PRO O 1 1 17 14729 1 1 12 CYS C C -10.435 -7.752 3.084 1.00 . A A . 12 CYS C 1 1 17 14730 1 1 12 CYS CA C -9.244 -8.290 2.287 1.00 . A A . 12 CYS CA 1 1 17 14731 1 1 12 CYS CB C -9.500 -9.715 1.798 1.00 . A A . 12 CYS CB 1 1 17 14732 1 1 12 CYS H H -7.249 -7.765 2.702 1.00 . A A . 12 CYS H 1 1 17 14733 1 1 12 CYS HA H -9.089 -7.644 1.434 1.00 . A A . 12 CYS HA 1 1 17 14734 1 1 12 CYS HB2 H -9.644 -10.356 2.652 1.00 . A A . 12 CYS HB2 1 1 17 14735 1 1 12 CYS HB3 H -10.383 -9.734 1.182 1.00 . A A . 12 CYS HB3 1 1 17 14736 1 1 12 CYS HG H -7.853 -11.564 1.436 1.00 . A A . 12 CYS HG 1 1 17 14737 1 1 12 CYS N N -8.014 -8.241 3.074 1.00 . A A . 12 CYS N 1 1 17 14738 1 1 12 CYS O O -11.589 -8.019 2.753 1.00 . A A . 12 CYS O 1 1 17 14739 1 1 12 CYS SG S -8.135 -10.414 0.836 1.00 . A A . 12 CYS SG 1 1 17 14740 1 1 13 LYS C C -12.049 -5.400 4.210 1.00 . A A . 13 LYS C 1 1 17 14741 1 1 13 LYS CA C -11.113 -6.359 4.991 1.00 . A A . 13 LYS CA 1 1 17 14742 1 1 13 LYS CB C -10.380 -5.648 6.187 1.00 . A A . 13 LYS CB 1 1 17 14743 1 1 13 LYS CD C -10.466 -4.556 8.429 1.00 . A A . 13 LYS CD 1 1 17 14744 1 1 13 LYS CE C -11.386 -3.995 9.476 1.00 . A A . 13 LYS CE 1 1 17 14745 1 1 13 LYS CG C -11.274 -5.185 7.316 1.00 . A A . 13 LYS CG 1 1 17 14746 1 1 13 LYS H H -9.179 -6.731 4.223 1.00 . A A . 13 LYS H 1 1 17 14747 1 1 13 LYS HA H -11.711 -7.169 5.382 1.00 . A A . 13 LYS HA 1 1 17 14748 1 1 13 LYS HB2 H -9.651 -6.309 6.631 1.00 . A A . 13 LYS HB2 1 1 17 14749 1 1 13 LYS HB3 H -9.866 -4.761 5.843 1.00 . A A . 13 LYS HB3 1 1 17 14750 1 1 13 LYS HD2 H -9.849 -5.317 8.885 1.00 . A A . 13 LYS HD2 1 1 17 14751 1 1 13 LYS HD3 H -9.853 -3.763 8.028 1.00 . A A . 13 LYS HD3 1 1 17 14752 1 1 13 LYS HE2 H -11.951 -3.254 8.935 1.00 . A A . 13 LYS HE2 1 1 17 14753 1 1 13 LYS HE3 H -12.051 -4.764 9.838 1.00 . A A . 13 LYS HE3 1 1 17 14754 1 1 13 LYS HG2 H -11.958 -4.439 6.943 1.00 . A A . 13 LYS HG2 1 1 17 14755 1 1 13 LYS HG3 H -11.819 -6.029 7.706 1.00 . A A . 13 LYS HG3 1 1 17 14756 1 1 13 LYS HZ1 H -10.163 -2.487 10.321 1.00 . A A . 13 LYS HZ1 1 1 17 14757 1 1 13 LYS HZ2 H -10.006 -4.014 11.061 1.00 . A A . 13 LYS HZ2 1 1 17 14758 1 1 13 LYS HZ3 H -11.368 -3.052 11.300 1.00 . A A . 13 LYS HZ3 1 1 17 14759 1 1 13 LYS N N -10.125 -6.938 4.092 1.00 . A A . 13 LYS N 1 1 17 14760 1 1 13 LYS NZ N -10.661 -3.354 10.598 1.00 . A A . 13 LYS NZ 1 1 17 14761 1 1 13 LYS O O -11.863 -5.173 2.999 1.00 . A A . 13 LYS O 1 1 17 14762 1 1 14 ASP C C -13.459 -2.790 3.648 1.00 . A A . 14 ASP C 1 1 17 14763 1 1 14 ASP CA C -14.044 -3.987 4.299 1.00 . A A . 14 ASP CA 1 1 17 14764 1 1 14 ASP CB C -15.089 -3.573 5.321 1.00 . A A . 14 ASP CB 1 1 17 14765 1 1 14 ASP CG C -15.875 -4.744 5.786 1.00 . A A . 14 ASP CG 1 1 17 14766 1 1 14 ASP H H -13.123 -4.981 5.864 1.00 . A A . 14 ASP H 1 1 17 14767 1 1 14 ASP HA H -14.547 -4.557 3.532 1.00 . A A . 14 ASP HA 1 1 17 14768 1 1 14 ASP HB2 H -14.598 -3.128 6.177 1.00 . A A . 14 ASP HB2 1 1 17 14769 1 1 14 ASP HB3 H -15.760 -2.856 4.875 1.00 . A A . 14 ASP HB3 1 1 17 14770 1 1 14 ASP N N -13.036 -4.851 4.895 1.00 . A A . 14 ASP N 1 1 17 14771 1 1 14 ASP O O -14.012 -2.312 2.710 1.00 . A A . 14 ASP O 1 1 17 14772 1 1 14 ASP OD1 O -15.424 -5.426 6.708 1.00 . A A . 14 ASP OD1 1 1 17 14773 1 1 14 ASP OD2 O -16.925 -5.032 5.183 1.00 . A A . 14 ASP OD2 1 1 17 14774 1 1 15 LYS C C -10.158 -1.241 4.081 1.00 . A A . 15 LYS C 1 1 17 14775 1 1 15 LYS CA C -11.601 -1.181 3.614 1.00 . A A . 15 LYS CA 1 1 17 14776 1 1 15 LYS CB C -12.245 0.150 4.025 1.00 . A A . 15 LYS CB 1 1 17 14777 1 1 15 LYS CD C -14.211 1.702 3.815 1.00 . A A . 15 LYS CD 1 1 17 14778 1 1 15 LYS CE C -14.992 1.209 5.021 1.00 . A A . 15 LYS CE 1 1 17 14779 1 1 15 LYS CG C -13.453 0.569 3.176 1.00 . A A . 15 LYS CG 1 1 17 14780 1 1 15 LYS H H -11.890 -2.724 4.923 1.00 . A A . 15 LYS H 1 1 17 14781 1 1 15 LYS HA H -11.610 -1.264 2.536 1.00 . A A . 15 LYS HA 1 1 17 14782 1 1 15 LYS HB2 H -12.545 0.070 5.058 1.00 . A A . 15 LYS HB2 1 1 17 14783 1 1 15 LYS HB3 H -11.495 0.924 3.954 1.00 . A A . 15 LYS HB3 1 1 17 14784 1 1 15 LYS HD2 H -13.512 2.467 4.120 1.00 . A A . 15 LYS HD2 1 1 17 14785 1 1 15 LYS HD3 H -14.900 2.113 3.092 1.00 . A A . 15 LYS HD3 1 1 17 14786 1 1 15 LYS HE2 H -14.330 0.591 5.603 1.00 . A A . 15 LYS HE2 1 1 17 14787 1 1 15 LYS HE3 H -15.362 2.045 5.594 1.00 . A A . 15 LYS HE3 1 1 17 14788 1 1 15 LYS HG2 H -13.106 0.898 2.208 1.00 . A A . 15 LYS HG2 1 1 17 14789 1 1 15 LYS HG3 H -14.112 -0.279 3.056 1.00 . A A . 15 LYS HG3 1 1 17 14790 1 1 15 LYS HZ1 H -15.839 -0.498 4.071 1.00 . A A . 15 LYS HZ1 1 1 17 14791 1 1 15 LYS HZ2 H -16.796 0.893 4.056 1.00 . A A . 15 LYS HZ2 1 1 17 14792 1 1 15 LYS HZ3 H -16.639 0.005 5.467 1.00 . A A . 15 LYS HZ3 1 1 17 14793 1 1 15 LYS N N -12.335 -2.320 4.152 1.00 . A A . 15 LYS N 1 1 17 14794 1 1 15 LYS NZ N -16.129 0.334 4.623 1.00 . A A . 15 LYS NZ 1 1 17 14795 1 1 15 LYS O O -9.895 -1.293 5.282 1.00 . A A . 15 LYS O 1 1 17 14796 1 1 16 VAL C C -7.097 -0.334 2.483 1.00 . A A . 16 VAL C 1 1 17 14797 1 1 16 VAL CA C -7.802 -1.298 3.428 1.00 . A A . 16 VAL CA 1 1 17 14798 1 1 16 VAL CB C -7.156 -2.730 3.332 1.00 . A A . 16 VAL CB 1 1 17 14799 1 1 16 VAL CG1 C -7.775 -3.686 4.342 1.00 . A A . 16 VAL CG1 1 1 17 14800 1 1 16 VAL CG2 C -7.262 -3.309 1.922 1.00 . A A . 16 VAL CG2 1 1 17 14801 1 1 16 VAL H H -9.534 -1.292 2.199 1.00 . A A . 16 VAL H 1 1 17 14802 1 1 16 VAL HA H -7.664 -0.905 4.425 1.00 . A A . 16 VAL HA 1 1 17 14803 1 1 16 VAL HB H -6.109 -2.631 3.587 1.00 . A A . 16 VAL HB 1 1 17 14804 1 1 16 VAL HG11 H -7.307 -4.655 4.256 1.00 . A A . 16 VAL HG11 1 1 17 14805 1 1 16 VAL HG12 H -8.825 -3.774 4.117 1.00 . A A . 16 VAL HG12 1 1 17 14806 1 1 16 VAL HG13 H -7.645 -3.301 5.344 1.00 . A A . 16 VAL HG13 1 1 17 14807 1 1 16 VAL HG21 H -6.808 -4.292 1.902 1.00 . A A . 16 VAL HG21 1 1 17 14808 1 1 16 VAL HG22 H -6.742 -2.640 1.248 1.00 . A A . 16 VAL HG22 1 1 17 14809 1 1 16 VAL HG23 H -8.306 -3.391 1.650 1.00 . A A . 16 VAL HG23 1 1 17 14810 1 1 16 VAL N N -9.242 -1.290 3.135 1.00 . A A . 16 VAL N 1 1 17 14811 1 1 16 VAL O O -7.513 -0.203 1.321 1.00 . A A . 16 VAL O 1 1 17 14812 1 1 17 ASP C C -4.046 0.855 1.597 1.00 . A A . 17 ASP C 1 1 17 14813 1 1 17 ASP CA C -5.321 1.369 2.230 1.00 . A A . 17 ASP CA 1 1 17 14814 1 1 17 ASP CB C -5.039 2.619 3.082 1.00 . A A . 17 ASP CB 1 1 17 14815 1 1 17 ASP CG C -6.303 3.345 3.506 1.00 . A A . 17 ASP CG 1 1 17 14816 1 1 17 ASP H H -5.756 0.111 3.894 1.00 . A A . 17 ASP H 1 1 17 14817 1 1 17 ASP HA H -5.974 1.658 1.420 1.00 . A A . 17 ASP HA 1 1 17 14818 1 1 17 ASP HB2 H -4.485 2.342 3.966 1.00 . A A . 17 ASP HB2 1 1 17 14819 1 1 17 ASP HB3 H -4.439 3.300 2.494 1.00 . A A . 17 ASP HB3 1 1 17 14820 1 1 17 ASP N N -6.050 0.328 2.984 1.00 . A A . 17 ASP N 1 1 17 14821 1 1 17 ASP O O -3.332 -0.003 2.158 1.00 . A A . 17 ASP O 1 1 17 14822 1 1 17 ASP OD1 O -6.874 3.004 4.568 1.00 . A A . 17 ASP OD1 1 1 17 14823 1 1 17 ASP OD2 O -6.745 4.267 2.779 1.00 . A A . 17 ASP OD2 1 1 17 14824 1 1 18 TRP C C -1.737 2.147 -0.682 1.00 . A A . 18 TRP C 1 1 17 14825 1 1 18 TRP CA C -2.672 0.969 -0.404 1.00 . A A . 18 TRP CA 1 1 17 14826 1 1 18 TRP CB C -3.253 0.505 -1.725 1.00 . A A . 18 TRP CB 1 1 17 14827 1 1 18 TRP CD1 C -5.488 -0.555 -1.047 1.00 . A A . 18 TRP CD1 1 1 17 14828 1 1 18 TRP CD2 C -4.210 -1.880 -2.261 1.00 . A A . 18 TRP CD2 1 1 17 14829 1 1 18 TRP CE2 C -5.373 -2.569 -1.948 1.00 . A A . 18 TRP CE2 1 1 17 14830 1 1 18 TRP CE3 C -3.278 -2.490 -3.019 1.00 . A A . 18 TRP CE3 1 1 17 14831 1 1 18 TRP CG C -4.280 -0.608 -1.644 1.00 . A A . 18 TRP CG 1 1 17 14832 1 1 18 TRP CH2 C -4.661 -4.434 -3.161 1.00 . A A . 18 TRP CH2 1 1 17 14833 1 1 18 TRP CZ2 C -5.620 -3.857 -2.395 1.00 . A A . 18 TRP CZ2 1 1 17 14834 1 1 18 TRP CZ3 C -3.496 -3.755 -3.477 1.00 . A A . 18 TRP CZ3 1 1 17 14835 1 1 18 TRP H H -4.378 2.088 0.105 1.00 . A A . 18 TRP H 1 1 17 14836 1 1 18 TRP HA H -2.142 0.142 0.043 1.00 . A A . 18 TRP HA 1 1 17 14837 1 1 18 TRP HB2 H -3.766 1.370 -2.118 1.00 . A A . 18 TRP HB2 1 1 17 14838 1 1 18 TRP HB3 H -2.492 0.241 -2.438 1.00 . A A . 18 TRP HB3 1 1 17 14839 1 1 18 TRP HD1 H -5.830 0.314 -0.506 1.00 . A A . 18 TRP HD1 1 1 17 14840 1 1 18 TRP HE1 H -7.017 -1.967 -0.820 1.00 . A A . 18 TRP HE1 1 1 17 14841 1 1 18 TRP HE3 H -2.406 -1.916 -3.234 1.00 . A A . 18 TRP HE3 1 1 17 14842 1 1 18 TRP HH2 H -4.791 -5.425 -3.562 1.00 . A A . 18 TRP HH2 1 1 17 14843 1 1 18 TRP HZ2 H -6.525 -4.391 -2.152 1.00 . A A . 18 TRP HZ2 1 1 17 14844 1 1 18 TRP HZ3 H -2.750 -4.240 -4.088 1.00 . A A . 18 TRP HZ3 1 1 17 14845 1 1 18 TRP N N -3.765 1.383 0.424 1.00 . A A . 18 TRP N 1 1 17 14846 1 1 18 TRP NE1 N -6.130 -1.740 -1.181 1.00 . A A . 18 TRP NE1 1 1 17 14847 1 1 18 TRP O O -2.128 3.320 -0.490 1.00 . A A . 18 TRP O 1 1 17 14848 1 1 19 VAL C C 1.160 2.363 -2.749 1.00 . A A . 19 VAL C 1 1 17 14849 1 1 19 VAL CA C 0.487 2.850 -1.487 1.00 . A A . 19 VAL CA 1 1 17 14850 1 1 19 VAL CB C 1.645 2.884 -0.476 1.00 . A A . 19 VAL CB 1 1 17 14851 1 1 19 VAL CG1 C 2.447 4.172 -0.529 1.00 . A A . 19 VAL CG1 1 1 17 14852 1 1 19 VAL CG2 C 1.287 2.454 0.911 1.00 . A A . 19 VAL CG2 1 1 17 14853 1 1 19 VAL H H -0.195 0.934 -1.331 1.00 . A A . 19 VAL H 1 1 17 14854 1 1 19 VAL HA H 0.059 3.837 -1.605 1.00 . A A . 19 VAL HA 1 1 17 14855 1 1 19 VAL HB H 2.297 2.140 -0.902 1.00 . A A . 19 VAL HB 1 1 17 14856 1 1 19 VAL HG11 H 1.805 5.013 -0.311 1.00 . A A . 19 VAL HG11 1 1 17 14857 1 1 19 VAL HG12 H 2.872 4.303 -1.514 1.00 . A A . 19 VAL HG12 1 1 17 14858 1 1 19 VAL HG13 H 3.237 4.126 0.202 1.00 . A A . 19 VAL HG13 1 1 17 14859 1 1 19 VAL HG21 H 2.211 2.426 1.470 1.00 . A A . 19 VAL HG21 1 1 17 14860 1 1 19 VAL HG22 H 0.904 1.448 0.840 1.00 . A A . 19 VAL HG22 1 1 17 14861 1 1 19 VAL HG23 H 0.565 3.114 1.366 1.00 . A A . 19 VAL HG23 1 1 17 14862 1 1 19 VAL N N -0.521 1.845 -1.148 1.00 . A A . 19 VAL N 1 1 17 14863 1 1 19 VAL O O 1.431 1.175 -2.855 1.00 . A A . 19 VAL O 1 1 17 14864 1 1 20 GLN C C 3.581 3.301 -4.733 1.00 . A A . 20 GLN C 1 1 17 14865 1 1 20 GLN CA C 2.154 2.801 -4.856 1.00 . A A . 20 GLN CA 1 1 17 14866 1 1 20 GLN CB C 1.534 3.345 -6.119 1.00 . A A . 20 GLN CB 1 1 17 14867 1 1 20 GLN CD C 1.043 2.818 -8.590 1.00 . A A . 20 GLN CD 1 1 17 14868 1 1 20 GLN CG C 1.638 2.347 -7.277 1.00 . A A . 20 GLN CG 1 1 17 14869 1 1 20 GLN H H 1.016 4.113 -3.574 1.00 . A A . 20 GLN H 1 1 17 14870 1 1 20 GLN HA H 2.163 1.721 -4.884 1.00 . A A . 20 GLN HA 1 1 17 14871 1 1 20 GLN HB2 H 0.517 3.629 -5.891 1.00 . A A . 20 GLN HB2 1 1 17 14872 1 1 20 GLN HB3 H 2.070 4.244 -6.385 1.00 . A A . 20 GLN HB3 1 1 17 14873 1 1 20 GLN HE21 H 2.173 1.534 -9.543 1.00 . A A . 20 GLN HE21 1 1 17 14874 1 1 20 GLN HE22 H 1.128 2.475 -10.529 1.00 . A A . 20 GLN HE22 1 1 17 14875 1 1 20 GLN HG2 H 2.681 2.117 -7.444 1.00 . A A . 20 GLN HG2 1 1 17 14876 1 1 20 GLN HG3 H 1.136 1.441 -6.975 1.00 . A A . 20 GLN HG3 1 1 17 14877 1 1 20 GLN N N 1.408 3.216 -3.687 1.00 . A A . 20 GLN N 1 1 17 14878 1 1 20 GLN NE2 N 1.488 2.229 -9.657 1.00 . A A . 20 GLN NE2 1 1 17 14879 1 1 20 GLN O O 3.793 4.405 -4.247 1.00 . A A . 20 GLN O 1 1 17 14880 1 1 20 GLN OE1 O 0.130 3.634 -8.624 1.00 . A A . 20 GLN OE1 1 1 17 14881 1 1 21 CYS C C 6.274 3.887 -6.231 1.00 . A A . 21 CYS C 1 1 17 14882 1 1 21 CYS CA C 5.937 2.950 -5.062 1.00 . A A . 21 CYS CA 1 1 17 14883 1 1 21 CYS CB C 6.934 1.798 -5.077 1.00 . A A . 21 CYS CB 1 1 17 14884 1 1 21 CYS H H 4.453 1.574 -5.444 1.00 . A A . 21 CYS H 1 1 17 14885 1 1 21 CYS HA H 6.066 3.499 -4.142 1.00 . A A . 21 CYS HA 1 1 17 14886 1 1 21 CYS HB2 H 6.652 1.040 -4.370 1.00 . A A . 21 CYS HB2 1 1 17 14887 1 1 21 CYS HB3 H 6.889 1.346 -6.054 1.00 . A A . 21 CYS HB3 1 1 17 14888 1 1 21 CYS N N 4.566 2.491 -5.114 1.00 . A A . 21 CYS N 1 1 17 14889 1 1 21 CYS O O 6.096 3.524 -7.389 1.00 . A A . 21 CYS O 1 1 17 14890 1 1 21 CYS SG S 8.601 2.435 -4.851 1.00 . A A . 21 CYS SG 1 1 17 14891 1 1 22 ASP C C 8.718 5.964 -7.225 1.00 . A A . 22 ASP C 1 1 17 14892 1 1 22 ASP CA C 7.215 6.053 -6.920 1.00 . A A . 22 ASP CA 1 1 17 14893 1 1 22 ASP CB C 6.895 7.462 -6.410 1.00 . A A . 22 ASP CB 1 1 17 14894 1 1 22 ASP CG C 5.443 7.671 -6.032 1.00 . A A . 22 ASP CG 1 1 17 14895 1 1 22 ASP H H 7.044 5.235 -4.964 1.00 . A A . 22 ASP H 1 1 17 14896 1 1 22 ASP HA H 6.650 5.859 -7.820 1.00 . A A . 22 ASP HA 1 1 17 14897 1 1 22 ASP HB2 H 7.490 7.643 -5.527 1.00 . A A . 22 ASP HB2 1 1 17 14898 1 1 22 ASP HB3 H 7.163 8.175 -7.177 1.00 . A A . 22 ASP HB3 1 1 17 14899 1 1 22 ASP N N 6.847 5.044 -5.912 1.00 . A A . 22 ASP N 1 1 17 14900 1 1 22 ASP O O 9.302 6.851 -7.841 1.00 . A A . 22 ASP O 1 1 17 14901 1 1 22 ASP OD1 O 4.605 7.930 -6.926 1.00 . A A . 22 ASP OD1 1 1 17 14902 1 1 22 ASP OD2 O 5.143 7.595 -4.827 1.00 . A A . 22 ASP OD2 1 1 17 14903 1 1 23 GLY C C 11.056 3.792 -8.236 1.00 . A A . 23 GLY C 1 1 17 14904 1 1 23 GLY CA C 10.763 4.654 -7.016 1.00 . A A . 23 GLY CA 1 1 17 14905 1 1 23 GLY H H 8.793 4.165 -6.383 1.00 . A A . 23 GLY H 1 1 17 14906 1 1 23 GLY HA2 H 11.235 5.615 -7.149 1.00 . A A . 23 GLY HA2 1 1 17 14907 1 1 23 GLY HA3 H 11.190 4.185 -6.144 1.00 . A A . 23 GLY HA3 1 1 17 14908 1 1 23 GLY N N 9.333 4.859 -6.809 1.00 . A A . 23 GLY N 1 1 17 14909 1 1 23 GLY O O 12.141 3.284 -8.392 1.00 . A A . 23 GLY O 1 1 17 14910 1 1 24 GLY C C 9.607 1.496 -10.278 1.00 . A A . 24 GLY C 1 1 17 14911 1 1 24 GLY CA C 10.224 2.874 -10.313 1.00 . A A . 24 GLY CA 1 1 17 14912 1 1 24 GLY H H 9.208 3.978 -8.766 1.00 . A A . 24 GLY H 1 1 17 14913 1 1 24 GLY HA2 H 9.756 3.445 -11.099 1.00 . A A . 24 GLY HA2 1 1 17 14914 1 1 24 GLY HA3 H 11.280 2.785 -10.529 1.00 . A A . 24 GLY HA3 1 1 17 14915 1 1 24 GLY N N 10.059 3.602 -9.051 1.00 . A A . 24 GLY N 1 1 17 14916 1 1 24 GLY O O 9.507 0.817 -11.300 1.00 . A A . 24 GLY O 1 1 17 14917 1 1 25 CYS C C 7.149 -0.190 -9.254 1.00 . A A . 25 CYS C 1 1 17 14918 1 1 25 CYS CA C 8.614 -0.229 -8.899 1.00 . A A . 25 CYS CA 1 1 17 14919 1 1 25 CYS CB C 8.741 -0.592 -7.449 1.00 . A A . 25 CYS CB 1 1 17 14920 1 1 25 CYS H H 9.403 1.663 -8.350 1.00 . A A . 25 CYS H 1 1 17 14921 1 1 25 CYS HA H 9.141 -0.962 -9.490 1.00 . A A . 25 CYS HA 1 1 17 14922 1 1 25 CYS HB2 H 8.044 -0.022 -6.853 1.00 . A A . 25 CYS HB2 1 1 17 14923 1 1 25 CYS HB3 H 8.533 -1.642 -7.326 1.00 . A A . 25 CYS HB3 1 1 17 14924 1 1 25 CYS N N 9.217 1.076 -9.103 1.00 . A A . 25 CYS N 1 1 17 14925 1 1 25 CYS O O 6.614 -1.131 -9.819 1.00 . A A . 25 CYS O 1 1 17 14926 1 1 25 CYS SG S 10.364 -0.292 -6.805 1.00 . A A . 25 CYS SG 1 1 17 14927 1 1 26 ASP C C 4.201 0.080 -8.513 1.00 . A A . 26 ASP C 1 1 17 14928 1 1 26 ASP CA C 5.067 1.194 -9.106 1.00 . A A . 26 ASP CA 1 1 17 14929 1 1 26 ASP CB C 4.707 1.399 -10.577 1.00 . A A . 26 ASP CB 1 1 17 14930 1 1 26 ASP CG C 5.287 2.646 -11.198 1.00 . A A . 26 ASP CG 1 1 17 14931 1 1 26 ASP H H 7.092 1.727 -8.745 1.00 . A A . 26 ASP H 1 1 17 14932 1 1 26 ASP HA H 4.854 2.099 -8.556 1.00 . A A . 26 ASP HA 1 1 17 14933 1 1 26 ASP HB2 H 5.080 0.558 -11.139 1.00 . A A . 26 ASP HB2 1 1 17 14934 1 1 26 ASP HB3 H 3.632 1.438 -10.668 1.00 . A A . 26 ASP HB3 1 1 17 14935 1 1 26 ASP N N 6.527 0.956 -8.945 1.00 . A A . 26 ASP N 1 1 17 14936 1 1 26 ASP O O 3.038 -0.077 -8.893 1.00 . A A . 26 ASP O 1 1 17 14937 1 1 26 ASP OD1 O 6.513 2.818 -11.177 1.00 . A A . 26 ASP OD1 1 1 17 14938 1 1 26 ASP OD2 O 4.516 3.464 -11.729 1.00 . A A . 26 ASP OD2 1 1 17 14939 1 1 27 GLU C C 3.106 -1.196 -5.884 1.00 . A A . 27 GLU C 1 1 17 14940 1 1 27 GLU CA C 4.051 -1.732 -6.944 1.00 . A A . 27 GLU CA 1 1 17 14941 1 1 27 GLU CB C 5.082 -2.676 -6.310 1.00 . A A . 27 GLU CB 1 1 17 14942 1 1 27 GLU CD C 7.208 -4.009 -6.660 1.00 . A A . 27 GLU CD 1 1 17 14943 1 1 27 GLU CG C 6.116 -3.180 -7.297 1.00 . A A . 27 GLU CG 1 1 17 14944 1 1 27 GLU H H 5.647 -0.417 -7.282 1.00 . A A . 27 GLU H 1 1 17 14945 1 1 27 GLU HA H 3.481 -2.273 -7.684 1.00 . A A . 27 GLU HA 1 1 17 14946 1 1 27 GLU HB2 H 5.589 -2.143 -5.518 1.00 . A A . 27 GLU HB2 1 1 17 14947 1 1 27 GLU HB3 H 4.568 -3.522 -5.881 1.00 . A A . 27 GLU HB3 1 1 17 14948 1 1 27 GLU HG2 H 5.620 -3.787 -8.041 1.00 . A A . 27 GLU HG2 1 1 17 14949 1 1 27 GLU HG3 H 6.558 -2.329 -7.794 1.00 . A A . 27 GLU HG3 1 1 17 14950 1 1 27 GLU N N 4.739 -0.635 -7.569 1.00 . A A . 27 GLU N 1 1 17 14951 1 1 27 GLU O O 3.445 -0.238 -5.178 1.00 . A A . 27 GLU O 1 1 17 14952 1 1 27 GLU OE1 O 8.162 -3.428 -6.107 1.00 . A A . 27 GLU OE1 1 1 17 14953 1 1 27 GLU OE2 O 7.123 -5.255 -6.721 1.00 . A A . 27 GLU OE2 1 1 17 14954 1 1 28 TRP C C 1.185 -2.203 -3.517 1.00 . A A . 28 TRP C 1 1 17 14955 1 1 28 TRP CA C 0.971 -1.401 -4.792 1.00 . A A . 28 TRP CA 1 1 17 14956 1 1 28 TRP CB C -0.471 -1.569 -5.284 1.00 . A A . 28 TRP CB 1 1 17 14957 1 1 28 TRP CD1 C -1.147 -0.554 -7.558 1.00 . A A . 28 TRP CD1 1 1 17 14958 1 1 28 TRP CD2 C -1.402 0.808 -5.814 1.00 . A A . 28 TRP CD2 1 1 17 14959 1 1 28 TRP CE2 C -1.807 1.483 -6.971 1.00 . A A . 28 TRP CE2 1 1 17 14960 1 1 28 TRP CE3 C -1.474 1.467 -4.603 1.00 . A A . 28 TRP CE3 1 1 17 14961 1 1 28 TRP CG C -0.976 -0.494 -6.206 1.00 . A A . 28 TRP CG 1 1 17 14962 1 1 28 TRP CH2 C -2.341 3.402 -5.745 1.00 . A A . 28 TRP CH2 1 1 17 14963 1 1 28 TRP CZ2 C -2.281 2.781 -6.947 1.00 . A A . 28 TRP CZ2 1 1 17 14964 1 1 28 TRP CZ3 C -1.944 2.754 -4.577 1.00 . A A . 28 TRP CZ3 1 1 17 14965 1 1 28 TRP H H 1.687 -2.507 -6.404 1.00 . A A . 28 TRP H 1 1 17 14966 1 1 28 TRP HA H 1.144 -0.363 -4.557 1.00 . A A . 28 TRP HA 1 1 17 14967 1 1 28 TRP HB2 H -0.553 -2.510 -5.802 1.00 . A A . 28 TRP HB2 1 1 17 14968 1 1 28 TRP HB3 H -1.105 -1.601 -4.418 1.00 . A A . 28 TRP HB3 1 1 17 14969 1 1 28 TRP HD1 H -0.933 -1.407 -8.174 1.00 . A A . 28 TRP HD1 1 1 17 14970 1 1 28 TRP HE1 H -1.856 0.829 -8.957 1.00 . A A . 28 TRP HE1 1 1 17 14971 1 1 28 TRP HE3 H -1.167 0.985 -3.688 1.00 . A A . 28 TRP HE3 1 1 17 14972 1 1 28 TRP HH2 H -2.706 4.417 -5.683 1.00 . A A . 28 TRP HH2 1 1 17 14973 1 1 28 TRP HZ2 H -2.597 3.290 -7.846 1.00 . A A . 28 TRP HZ2 1 1 17 14974 1 1 28 TRP HZ3 H -2.025 3.270 -3.631 1.00 . A A . 28 TRP HZ3 1 1 17 14975 1 1 28 TRP N N 1.938 -1.779 -5.797 1.00 . A A . 28 TRP N 1 1 17 14976 1 1 28 TRP NE1 N -1.650 0.626 -8.019 1.00 . A A . 28 TRP NE1 1 1 17 14977 1 1 28 TRP O O 1.261 -3.430 -3.547 1.00 . A A . 28 TRP O 1 1 17 14978 1 1 29 PHE C C 0.388 -1.699 -0.178 1.00 . A A . 29 PHE C 1 1 17 14979 1 1 29 PHE CA C 1.530 -2.084 -1.102 1.00 . A A . 29 PHE CA 1 1 17 14980 1 1 29 PHE CB C 2.736 -1.489 -0.453 1.00 . A A . 29 PHE CB 1 1 17 14981 1 1 29 PHE CD1 C 4.653 -2.464 -1.738 1.00 . A A . 29 PHE CD1 1 1 17 14982 1 1 29 PHE CD2 C 4.448 -0.103 -1.538 1.00 . A A . 29 PHE CD2 1 1 17 14983 1 1 29 PHE CE1 C 5.808 -2.295 -2.465 1.00 . A A . 29 PHE CE1 1 1 17 14984 1 1 29 PHE CE2 C 5.588 0.067 -2.237 1.00 . A A . 29 PHE CE2 1 1 17 14985 1 1 29 PHE CG C 3.960 -1.359 -1.273 1.00 . A A . 29 PHE CG 1 1 17 14986 1 1 29 PHE CZ C 6.278 -1.022 -2.708 1.00 . A A . 29 PHE CZ 1 1 17 14987 1 1 29 PHE H H 1.307 -0.519 -2.527 1.00 . A A . 29 PHE H 1 1 17 14988 1 1 29 PHE HA H 1.658 -3.154 -1.163 1.00 . A A . 29 PHE HA 1 1 17 14989 1 1 29 PHE HB2 H 2.466 -0.490 -0.141 1.00 . A A . 29 PHE HB2 1 1 17 14990 1 1 29 PHE HB3 H 2.956 -2.080 0.424 1.00 . A A . 29 PHE HB3 1 1 17 14991 1 1 29 PHE HD1 H 4.281 -3.461 -1.555 1.00 . A A . 29 PHE HD1 1 1 17 14992 1 1 29 PHE HD2 H 3.912 0.768 -1.186 1.00 . A A . 29 PHE HD2 1 1 17 14993 1 1 29 PHE HE1 H 6.344 -3.157 -2.829 1.00 . A A . 29 PHE HE1 1 1 17 14994 1 1 29 PHE HE2 H 5.938 1.068 -2.415 1.00 . A A . 29 PHE HE2 1 1 17 14995 1 1 29 PHE HZ H 7.190 -0.847 -3.255 1.00 . A A . 29 PHE HZ 1 1 17 14996 1 1 29 PHE N N 1.316 -1.499 -2.420 1.00 . A A . 29 PHE N 1 1 17 14997 1 1 29 PHE O O -0.466 -0.931 -0.555 1.00 . A A . 29 PHE O 1 1 17 14998 1 1 30 HIS C C 0.346 -0.916 2.966 1.00 . A A . 30 HIS C 1 1 17 14999 1 1 30 HIS CA C -0.527 -1.765 2.047 1.00 . A A . 30 HIS CA 1 1 17 15000 1 1 30 HIS CB C -1.160 -2.882 2.878 1.00 . A A . 30 HIS CB 1 1 17 15001 1 1 30 HIS CD2 C -3.341 -3.938 1.915 1.00 . A A . 30 HIS CD2 1 1 17 15002 1 1 30 HIS CE1 C -2.512 -5.904 1.356 1.00 . A A . 30 HIS CE1 1 1 17 15003 1 1 30 HIS CG C -2.005 -3.893 2.157 1.00 . A A . 30 HIS CG 1 1 17 15004 1 1 30 HIS H H 1.035 -2.966 1.216 1.00 . A A . 30 HIS H 1 1 17 15005 1 1 30 HIS HA H -1.279 -1.138 1.589 1.00 . A A . 30 HIS HA 1 1 17 15006 1 1 30 HIS HB2 H -0.376 -3.446 3.360 1.00 . A A . 30 HIS HB2 1 1 17 15007 1 1 30 HIS HB3 H -1.769 -2.424 3.642 1.00 . A A . 30 HIS HB3 1 1 17 15008 1 1 30 HIS HD2 H -4.045 -3.136 2.092 1.00 . A A . 30 HIS HD2 1 1 17 15009 1 1 30 HIS HE1 H -2.430 -6.968 1.143 1.00 . A A . 30 HIS HE1 1 1 17 15010 1 1 30 HIS HE2 H -4.399 -5.392 0.836 1.00 . A A . 30 HIS HE2 1 1 17 15011 1 1 30 HIS N N 0.371 -2.264 1.027 1.00 . A A . 30 HIS N 1 1 17 15012 1 1 30 HIS ND1 N -1.516 -5.116 1.774 1.00 . A A . 30 HIS ND1 1 1 17 15013 1 1 30 HIS NE2 N -3.634 -5.204 1.417 1.00 . A A . 30 HIS NE2 1 1 17 15014 1 1 30 HIS O O 1.478 -1.297 3.228 1.00 . A A . 30 HIS O 1 1 17 15015 1 1 31 GLN C C 1.239 0.384 5.464 1.00 . A A . 31 GLN C 1 1 17 15016 1 1 31 GLN CA C 0.568 1.135 4.313 1.00 . A A . 31 GLN CA 1 1 17 15017 1 1 31 GLN CB C -0.421 2.134 4.885 1.00 . A A . 31 GLN CB 1 1 17 15018 1 1 31 GLN CD C -0.595 4.193 3.395 1.00 . A A . 31 GLN CD 1 1 17 15019 1 1 31 GLN CG C -1.199 2.876 3.824 1.00 . A A . 31 GLN CG 1 1 17 15020 1 1 31 GLN H H -1.069 0.465 3.151 1.00 . A A . 31 GLN H 1 1 17 15021 1 1 31 GLN HA H 1.299 1.668 3.722 1.00 . A A . 31 GLN HA 1 1 17 15022 1 1 31 GLN HB2 H -1.109 1.633 5.553 1.00 . A A . 31 GLN HB2 1 1 17 15023 1 1 31 GLN HB3 H 0.164 2.853 5.441 1.00 . A A . 31 GLN HB3 1 1 17 15024 1 1 31 GLN HE21 H -1.407 4.035 1.590 1.00 . A A . 31 GLN HE21 1 1 17 15025 1 1 31 GLN HE22 H -0.476 5.450 1.897 1.00 . A A . 31 GLN HE22 1 1 17 15026 1 1 31 GLN HG2 H -1.027 2.225 2.972 1.00 . A A . 31 GLN HG2 1 1 17 15027 1 1 31 GLN HG3 H -2.242 2.975 4.084 1.00 . A A . 31 GLN HG3 1 1 17 15028 1 1 31 GLN N N -0.165 0.206 3.425 1.00 . A A . 31 GLN N 1 1 17 15029 1 1 31 GLN NE2 N -0.850 4.590 2.176 1.00 . A A . 31 GLN NE2 1 1 17 15030 1 1 31 GLN O O 2.433 0.514 5.692 1.00 . A A . 31 GLN O 1 1 17 15031 1 1 31 GLN OE1 O 0.070 4.860 4.159 1.00 . A A . 31 GLN OE1 1 1 17 15032 1 1 32 VAL C C 2.012 -2.246 6.988 1.00 . A A . 32 VAL C 1 1 17 15033 1 1 32 VAL CA C 0.957 -1.170 7.305 1.00 . A A . 32 VAL CA 1 1 17 15034 1 1 32 VAL CB C -0.207 -1.828 8.106 1.00 . A A . 32 VAL CB 1 1 17 15035 1 1 32 VAL CG1 C -1.183 -0.777 8.617 1.00 . A A . 32 VAL CG1 1 1 17 15036 1 1 32 VAL CG2 C -0.943 -2.861 7.260 1.00 . A A . 32 VAL CG2 1 1 17 15037 1 1 32 VAL H H -0.440 -0.638 5.848 1.00 . A A . 32 VAL H 1 1 17 15038 1 1 32 VAL HA H 1.423 -0.441 7.953 1.00 . A A . 32 VAL HA 1 1 17 15039 1 1 32 VAL HB H 0.230 -2.328 8.955 1.00 . A A . 32 VAL HB 1 1 17 15040 1 1 32 VAL HG11 H -1.604 -0.249 7.776 1.00 . A A . 32 VAL HG11 1 1 17 15041 1 1 32 VAL HG12 H -0.655 -0.078 9.250 1.00 . A A . 32 VAL HG12 1 1 17 15042 1 1 32 VAL HG13 H -1.971 -1.259 9.181 1.00 . A A . 32 VAL HG13 1 1 17 15043 1 1 32 VAL HG21 H -0.242 -3.609 6.914 1.00 . A A . 32 VAL HG21 1 1 17 15044 1 1 32 VAL HG22 H -1.380 -2.366 6.406 1.00 . A A . 32 VAL HG22 1 1 17 15045 1 1 32 VAL HG23 H -1.723 -3.329 7.845 1.00 . A A . 32 VAL HG23 1 1 17 15046 1 1 32 VAL N N 0.477 -0.457 6.134 1.00 . A A . 32 VAL N 1 1 17 15047 1 1 32 VAL O O 2.903 -2.480 7.786 1.00 . A A . 32 VAL O 1 1 17 15048 1 1 33 CYS C C 4.153 -3.563 5.001 1.00 . A A . 33 CYS C 1 1 17 15049 1 1 33 CYS CA C 2.793 -4.005 5.525 1.00 . A A . 33 CYS CA 1 1 17 15050 1 1 33 CYS CB C 2.129 -4.980 4.541 1.00 . A A . 33 CYS CB 1 1 17 15051 1 1 33 CYS H H 1.344 -2.557 5.093 1.00 . A A . 33 CYS H 1 1 17 15052 1 1 33 CYS HA H 2.951 -4.526 6.460 1.00 . A A . 33 CYS HA 1 1 17 15053 1 1 33 CYS HB2 H 2.744 -5.842 4.343 1.00 . A A . 33 CYS HB2 1 1 17 15054 1 1 33 CYS HB3 H 1.177 -5.312 4.914 1.00 . A A . 33 CYS HB3 1 1 17 15055 1 1 33 CYS N N 1.928 -2.870 5.814 1.00 . A A . 33 CYS N 1 1 17 15056 1 1 33 CYS O O 5.155 -4.251 5.194 1.00 . A A . 33 CYS O 1 1 17 15057 1 1 33 CYS SG S 1.735 -4.277 2.958 1.00 . A A . 33 CYS SG 1 1 17 15058 1 1 34 VAL C C 6.013 -0.813 4.645 1.00 . A A . 34 VAL C 1 1 17 15059 1 1 34 VAL CA C 5.370 -1.935 3.764 1.00 . A A . 34 VAL CA 1 1 17 15060 1 1 34 VAL CB C 5.052 -1.454 2.339 1.00 . A A . 34 VAL CB 1 1 17 15061 1 1 34 VAL CG1 C 4.306 -0.142 2.281 1.00 . A A . 34 VAL CG1 1 1 17 15062 1 1 34 VAL CG2 C 6.263 -1.472 1.513 1.00 . A A . 34 VAL CG2 1 1 17 15063 1 1 34 VAL H H 3.425 -1.813 4.241 1.00 . A A . 34 VAL H 1 1 17 15064 1 1 34 VAL HA H 6.068 -2.756 3.703 1.00 . A A . 34 VAL HA 1 1 17 15065 1 1 34 VAL HB H 4.362 -2.160 1.898 1.00 . A A . 34 VAL HB 1 1 17 15066 1 1 34 VAL HG11 H 3.348 -0.171 2.788 1.00 . A A . 34 VAL HG11 1 1 17 15067 1 1 34 VAL HG12 H 4.143 0.119 1.245 1.00 . A A . 34 VAL HG12 1 1 17 15068 1 1 34 VAL HG13 H 4.933 0.613 2.727 1.00 . A A . 34 VAL HG13 1 1 17 15069 1 1 34 VAL HG21 H 7.014 -0.883 2.012 1.00 . A A . 34 VAL HG21 1 1 17 15070 1 1 34 VAL HG22 H 6.018 -1.098 0.532 1.00 . A A . 34 VAL HG22 1 1 17 15071 1 1 34 VAL HG23 H 6.512 -2.526 1.482 1.00 . A A . 34 VAL HG23 1 1 17 15072 1 1 34 VAL N N 4.189 -2.408 4.355 1.00 . A A . 34 VAL N 1 1 17 15073 1 1 34 VAL O O 6.917 -0.106 4.221 1.00 . A A . 34 VAL O 1 1 17 15074 1 1 35 GLY C C 5.851 1.711 6.502 1.00 . A A . 35 GLY C 1 1 17 15075 1 1 35 GLY CA C 6.093 0.245 6.858 1.00 . A A . 35 GLY CA 1 1 17 15076 1 1 35 GLY H H 4.908 -1.409 6.182 1.00 . A A . 35 GLY H 1 1 17 15077 1 1 35 GLY HA2 H 5.651 0.053 7.823 1.00 . A A . 35 GLY HA2 1 1 17 15078 1 1 35 GLY HA3 H 7.155 0.072 6.934 1.00 . A A . 35 GLY HA3 1 1 17 15079 1 1 35 GLY N N 5.559 -0.733 5.902 1.00 . A A . 35 GLY N 1 1 17 15080 1 1 35 GLY O O 6.745 2.550 6.677 1.00 . A A . 35 GLY O 1 1 17 15081 1 1 36 VAL C C 3.468 3.920 6.846 1.00 . A A . 36 VAL C 1 1 17 15082 1 1 36 VAL CA C 4.317 3.400 5.720 1.00 . A A . 36 VAL CA 1 1 17 15083 1 1 36 VAL CB C 3.440 3.534 4.424 1.00 . A A . 36 VAL CB 1 1 17 15084 1 1 36 VAL CG1 C 3.132 4.919 4.078 1.00 . A A . 36 VAL CG1 1 1 17 15085 1 1 36 VAL CG2 C 4.057 2.972 3.252 1.00 . A A . 36 VAL CG2 1 1 17 15086 1 1 36 VAL H H 4.006 1.330 5.840 1.00 . A A . 36 VAL H 1 1 17 15087 1 1 36 VAL HA H 5.209 3.998 5.602 1.00 . A A . 36 VAL HA 1 1 17 15088 1 1 36 VAL HB H 2.514 3.006 4.584 1.00 . A A . 36 VAL HB 1 1 17 15089 1 1 36 VAL HG11 H 2.730 5.487 4.901 1.00 . A A . 36 VAL HG11 1 1 17 15090 1 1 36 VAL HG12 H 2.363 4.775 3.327 1.00 . A A . 36 VAL HG12 1 1 17 15091 1 1 36 VAL HG13 H 3.999 5.370 3.609 1.00 . A A . 36 VAL HG13 1 1 17 15092 1 1 36 VAL HG21 H 5.121 3.138 3.240 1.00 . A A . 36 VAL HG21 1 1 17 15093 1 1 36 VAL HG22 H 3.572 3.544 2.468 1.00 . A A . 36 VAL HG22 1 1 17 15094 1 1 36 VAL HG23 H 3.758 1.941 3.195 1.00 . A A . 36 VAL HG23 1 1 17 15095 1 1 36 VAL N N 4.677 2.027 6.014 1.00 . A A . 36 VAL N 1 1 17 15096 1 1 36 VAL O O 2.689 3.172 7.436 1.00 . A A . 36 VAL O 1 1 17 15097 1 1 37 SER C C 1.888 6.725 7.126 1.00 . A A . 37 SER C 1 1 17 15098 1 1 37 SER CA C 2.708 5.810 8.044 1.00 . A A . 37 SER CA 1 1 17 15099 1 1 37 SER CB C 3.503 6.635 9.057 1.00 . A A . 37 SER CB 1 1 17 15100 1 1 37 SER H H 4.238 5.831 6.819 1.00 . A A . 37 SER H 1 1 17 15101 1 1 37 SER HA H 2.093 5.072 8.538 1.00 . A A . 37 SER HA 1 1 17 15102 1 1 37 SER HB2 H 3.998 7.448 8.547 1.00 . A A . 37 SER HB2 1 1 17 15103 1 1 37 SER HB3 H 2.834 7.023 9.813 1.00 . A A . 37 SER HB3 1 1 17 15104 1 1 37 SER HG H 4.176 4.929 9.792 1.00 . A A . 37 SER HG 1 1 17 15105 1 1 37 SER N N 3.603 5.170 7.157 1.00 . A A . 37 SER N 1 1 17 15106 1 1 37 SER O O 2.469 7.273 6.157 1.00 . A A . 37 SER O 1 1 17 15107 1 1 37 SER OG O 4.499 5.835 9.694 1.00 . A A . 37 SER OG 1 1 17 15108 1 1 38 PRO C C 0.288 9.042 6.097 1.00 . A A . 38 PRO C 1 1 17 15109 1 1 38 PRO CA C -0.327 7.693 6.499 1.00 . A A . 38 PRO CA 1 1 17 15110 1 1 38 PRO CB C -1.591 7.899 7.365 1.00 . A A . 38 PRO CB 1 1 17 15111 1 1 38 PRO CD C -0.185 6.312 8.484 1.00 . A A . 38 PRO CD 1 1 17 15112 1 1 38 PRO CG C -1.235 7.353 8.723 1.00 . A A . 38 PRO CG 1 1 17 15113 1 1 38 PRO HA H -0.578 7.141 5.607 1.00 . A A . 38 PRO HA 1 1 17 15114 1 1 38 PRO HB2 H -1.824 8.953 7.409 1.00 . A A . 38 PRO HB2 1 1 17 15115 1 1 38 PRO HB3 H -2.424 7.361 6.936 1.00 . A A . 38 PRO HB3 1 1 17 15116 1 1 38 PRO HD2 H 0.433 6.191 9.364 1.00 . A A . 38 PRO HD2 1 1 17 15117 1 1 38 PRO HD3 H -0.645 5.372 8.209 1.00 . A A . 38 PRO HD3 1 1 17 15118 1 1 38 PRO HG2 H -0.842 8.148 9.344 1.00 . A A . 38 PRO HG2 1 1 17 15119 1 1 38 PRO HG3 H -2.109 6.912 9.185 1.00 . A A . 38 PRO HG3 1 1 17 15120 1 1 38 PRO N N 0.566 6.889 7.365 1.00 . A A . 38 PRO N 1 1 17 15121 1 1 38 PRO O O 0.226 9.445 4.944 1.00 . A A . 38 PRO O 1 1 17 15122 1 1 39 GLU C C 2.629 10.928 5.757 1.00 . A A . 39 GLU C 1 1 17 15123 1 1 39 GLU CA C 1.573 10.990 6.840 1.00 . A A . 39 GLU CA 1 1 17 15124 1 1 39 GLU CB C 2.263 11.425 8.116 1.00 . A A . 39 GLU CB 1 1 17 15125 1 1 39 GLU CD C 2.140 11.787 10.580 1.00 . A A . 39 GLU CD 1 1 17 15126 1 1 39 GLU CG C 1.382 11.407 9.334 1.00 . A A . 39 GLU CG 1 1 17 15127 1 1 39 GLU H H 1.014 9.237 7.918 1.00 . A A . 39 GLU H 1 1 17 15128 1 1 39 GLU HA H 0.817 11.719 6.594 1.00 . A A . 39 GLU HA 1 1 17 15129 1 1 39 GLU HB2 H 3.107 10.776 8.293 1.00 . A A . 39 GLU HB2 1 1 17 15130 1 1 39 GLU HB3 H 2.620 12.436 7.973 1.00 . A A . 39 GLU HB3 1 1 17 15131 1 1 39 GLU HG2 H 0.591 12.106 9.141 1.00 . A A . 39 GLU HG2 1 1 17 15132 1 1 39 GLU HG3 H 0.944 10.430 9.456 1.00 . A A . 39 GLU HG3 1 1 17 15133 1 1 39 GLU N N 0.956 9.677 7.046 1.00 . A A . 39 GLU N 1 1 17 15134 1 1 39 GLU O O 2.726 11.802 4.919 1.00 . A A . 39 GLU O 1 1 17 15135 1 1 39 GLU OE1 O 3.060 11.028 10.973 1.00 . A A . 39 GLU OE1 1 1 17 15136 1 1 39 GLU OE2 O 1.816 12.804 11.202 1.00 . A A . 39 GLU OE2 1 1 17 15137 1 1 40 MET C C 4.106 9.524 3.426 1.00 . A A . 40 MET C 1 1 17 15138 1 1 40 MET CA C 4.538 9.717 4.865 1.00 . A A . 40 MET CA 1 1 17 15139 1 1 40 MET CB C 5.451 8.546 5.286 1.00 . A A . 40 MET CB 1 1 17 15140 1 1 40 MET CE C 8.398 9.857 5.657 1.00 . A A . 40 MET CE 1 1 17 15141 1 1 40 MET CG C 6.061 8.681 6.678 1.00 . A A . 40 MET CG 1 1 17 15142 1 1 40 MET H H 3.025 9.131 6.321 1.00 . A A . 40 MET H 1 1 17 15143 1 1 40 MET HA H 5.113 10.632 4.910 1.00 . A A . 40 MET HA 1 1 17 15144 1 1 40 MET HB2 H 4.859 7.644 5.270 1.00 . A A . 40 MET HB2 1 1 17 15145 1 1 40 MET HB3 H 6.248 8.465 4.560 1.00 . A A . 40 MET HB3 1 1 17 15146 1 1 40 MET HE1 H 7.971 9.807 4.665 1.00 . A A . 40 MET HE1 1 1 17 15147 1 1 40 MET HE2 H 8.919 8.936 5.874 1.00 . A A . 40 MET HE2 1 1 17 15148 1 1 40 MET HE3 H 9.123 10.656 5.720 1.00 . A A . 40 MET HE3 1 1 17 15149 1 1 40 MET HG2 H 5.258 8.743 7.395 1.00 . A A . 40 MET HG2 1 1 17 15150 1 1 40 MET HG3 H 6.655 7.801 6.877 1.00 . A A . 40 MET HG3 1 1 17 15151 1 1 40 MET N N 3.375 9.854 5.760 1.00 . A A . 40 MET N 1 1 17 15152 1 1 40 MET O O 4.581 10.223 2.531 1.00 . A A . 40 MET O 1 1 17 15153 1 1 40 MET SD S 7.097 10.157 6.868 1.00 . A A . 40 MET SD 1 1 17 15154 1 1 41 ALA C C 1.814 9.331 1.276 1.00 . A A . 41 ALA C 1 1 17 15155 1 1 41 ALA CA C 2.745 8.289 1.833 1.00 . A A . 41 ALA CA 1 1 17 15156 1 1 41 ALA CB C 2.074 6.961 1.765 1.00 . A A . 41 ALA CB 1 1 17 15157 1 1 41 ALA H H 2.789 8.072 3.944 1.00 . A A . 41 ALA H 1 1 17 15158 1 1 41 ALA HA H 3.626 8.248 1.213 1.00 . A A . 41 ALA HA 1 1 17 15159 1 1 41 ALA HB1 H 1.762 6.808 0.743 1.00 . A A . 41 ALA HB1 1 1 17 15160 1 1 41 ALA HB2 H 1.212 7.049 2.408 1.00 . A A . 41 ALA HB2 1 1 17 15161 1 1 41 ALA HB3 H 2.733 6.160 2.088 1.00 . A A . 41 ALA HB3 1 1 17 15162 1 1 41 ALA N N 3.184 8.590 3.202 1.00 . A A . 41 ALA N 1 1 17 15163 1 1 41 ALA O O 1.740 9.510 0.080 1.00 . A A . 41 ALA O 1 1 17 15164 1 1 42 GLU C C 0.861 12.333 1.427 1.00 . A A . 42 GLU C 1 1 17 15165 1 1 42 GLU CA C 0.160 10.988 1.624 1.00 . A A . 42 GLU CA 1 1 17 15166 1 1 42 GLU CB C -1.067 11.121 2.547 1.00 . A A . 42 GLU CB 1 1 17 15167 1 1 42 GLU CD C -3.165 10.054 3.518 1.00 . A A . 42 GLU CD 1 1 17 15168 1 1 42 GLU CG C -1.946 9.871 2.618 1.00 . A A . 42 GLU CG 1 1 17 15169 1 1 42 GLU H H 1.162 9.906 3.098 1.00 . A A . 42 GLU H 1 1 17 15170 1 1 42 GLU HA H -0.170 10.639 0.656 1.00 . A A . 42 GLU HA 1 1 17 15171 1 1 42 GLU HB2 H -0.705 11.297 3.548 1.00 . A A . 42 GLU HB2 1 1 17 15172 1 1 42 GLU HB3 H -1.670 11.953 2.219 1.00 . A A . 42 GLU HB3 1 1 17 15173 1 1 42 GLU HG2 H -2.280 9.623 1.620 1.00 . A A . 42 GLU HG2 1 1 17 15174 1 1 42 GLU HG3 H -1.358 9.053 3.007 1.00 . A A . 42 GLU HG3 1 1 17 15175 1 1 42 GLU N N 1.084 10.006 2.124 1.00 . A A . 42 GLU N 1 1 17 15176 1 1 42 GLU O O 0.379 13.191 0.709 1.00 . A A . 42 GLU O 1 1 17 15177 1 1 42 GLU OE1 O -3.038 9.914 4.739 1.00 . A A . 42 GLU OE1 1 1 17 15178 1 1 42 GLU OE2 O -4.276 10.332 2.996 1.00 . A A . 42 GLU OE2 1 1 17 15179 1 1 43 ASN C C 3.758 13.819 0.822 1.00 . A A . 43 ASN C 1 1 17 15180 1 1 43 ASN CA C 2.743 13.803 1.967 1.00 . A A . 43 ASN CA 1 1 17 15181 1 1 43 ASN CB C 3.436 14.202 3.280 1.00 . A A . 43 ASN CB 1 1 17 15182 1 1 43 ASN CG C 4.058 15.615 3.237 1.00 . A A . 43 ASN CG 1 1 17 15183 1 1 43 ASN H H 2.174 11.716 2.651 1.00 . A A . 43 ASN H 1 1 17 15184 1 1 43 ASN HA H 2.002 14.554 1.732 1.00 . A A . 43 ASN HA 1 1 17 15185 1 1 43 ASN HB2 H 2.757 14.132 4.118 1.00 . A A . 43 ASN HB2 1 1 17 15186 1 1 43 ASN HB3 H 4.247 13.493 3.384 1.00 . A A . 43 ASN HB3 1 1 17 15187 1 1 43 ASN HD21 H 5.852 14.892 2.840 1.00 . A A . 43 ASN HD21 1 1 17 15188 1 1 43 ASN HD22 H 5.765 16.601 2.941 1.00 . A A . 43 ASN HD22 1 1 17 15189 1 1 43 ASN N N 1.995 12.504 2.081 1.00 . A A . 43 ASN N 1 1 17 15190 1 1 43 ASN ND2 N 5.343 15.713 2.983 1.00 . A A . 43 ASN ND2 1 1 17 15191 1 1 43 ASN O O 3.880 14.823 0.095 1.00 . A A . 43 ASN O 1 1 17 15192 1 1 43 ASN OD1 O 3.381 16.600 3.499 1.00 . A A . 43 ASN OD1 1 1 17 15193 1 1 44 GLU C C 5.445 11.340 -1.113 1.00 . A A . 44 GLU C 1 1 17 15194 1 1 44 GLU CA C 5.474 12.647 -0.396 1.00 . A A . 44 GLU CA 1 1 17 15195 1 1 44 GLU CB C 6.891 12.911 0.125 1.00 . A A . 44 GLU CB 1 1 17 15196 1 1 44 GLU CD C 8.565 14.572 0.952 1.00 . A A . 44 GLU CD 1 1 17 15197 1 1 44 GLU CG C 7.132 14.321 0.586 1.00 . A A . 44 GLU CG 1 1 17 15198 1 1 44 GLU H H 4.202 11.926 1.144 1.00 . A A . 44 GLU H 1 1 17 15199 1 1 44 GLU HA H 5.223 13.432 -1.092 1.00 . A A . 44 GLU HA 1 1 17 15200 1 1 44 GLU HB2 H 7.086 12.252 0.959 1.00 . A A . 44 GLU HB2 1 1 17 15201 1 1 44 GLU HB3 H 7.594 12.682 -0.664 1.00 . A A . 44 GLU HB3 1 1 17 15202 1 1 44 GLU HG2 H 6.834 14.984 -0.212 1.00 . A A . 44 GLU HG2 1 1 17 15203 1 1 44 GLU HG3 H 6.507 14.498 1.444 1.00 . A A . 44 GLU HG3 1 1 17 15204 1 1 44 GLU N N 4.452 12.723 0.632 1.00 . A A . 44 GLU N 1 1 17 15205 1 1 44 GLU O O 4.759 10.410 -0.688 1.00 . A A . 44 GLU O 1 1 17 15206 1 1 44 GLU OE1 O 9.353 14.964 0.060 1.00 . A A . 44 GLU OE1 1 1 17 15207 1 1 44 GLU OE2 O 8.918 14.414 2.117 1.00 . A A . 44 GLU OE2 1 1 17 15208 1 1 45 ASP C C 6.914 8.979 -2.159 1.00 . A A . 45 ASP C 1 1 17 15209 1 1 45 ASP CA C 6.344 10.088 -3.021 1.00 . A A . 45 ASP CA 1 1 17 15210 1 1 45 ASP CB C 7.303 10.371 -4.197 1.00 . A A . 45 ASP CB 1 1 17 15211 1 1 45 ASP CG C 6.902 11.576 -5.043 1.00 . A A . 45 ASP CG 1 1 17 15212 1 1 45 ASP H H 6.745 12.050 -2.481 1.00 . A A . 45 ASP H 1 1 17 15213 1 1 45 ASP HA H 5.373 9.814 -3.401 1.00 . A A . 45 ASP HA 1 1 17 15214 1 1 45 ASP HB2 H 8.283 10.570 -3.793 1.00 . A A . 45 ASP HB2 1 1 17 15215 1 1 45 ASP HB3 H 7.349 9.499 -4.832 1.00 . A A . 45 ASP HB3 1 1 17 15216 1 1 45 ASP N N 6.214 11.277 -2.196 1.00 . A A . 45 ASP N 1 1 17 15217 1 1 45 ASP O O 7.763 9.238 -1.287 1.00 . A A . 45 ASP O 1 1 17 15218 1 1 45 ASP OD1 O 7.270 12.716 -4.668 1.00 . A A . 45 ASP OD1 1 1 17 15219 1 1 45 ASP OD2 O 6.233 11.414 -6.090 1.00 . A A . 45 ASP OD2 1 1 17 15220 1 1 46 TYR C C 7.754 5.663 -2.225 1.00 . A A . 46 TYR C 1 1 17 15221 1 1 46 TYR CA C 6.940 6.719 -1.518 1.00 . A A . 46 TYR CA 1 1 17 15222 1 1 46 TYR CB C 5.847 6.161 -0.603 1.00 . A A . 46 TYR CB 1 1 17 15223 1 1 46 TYR CD1 C 7.293 5.494 1.362 1.00 . A A . 46 TYR CD1 1 1 17 15224 1 1 46 TYR CD2 C 6.056 3.852 0.227 1.00 . A A . 46 TYR CD2 1 1 17 15225 1 1 46 TYR CE1 C 7.828 4.537 2.207 1.00 . A A . 46 TYR CE1 1 1 17 15226 1 1 46 TYR CE2 C 6.577 2.873 1.041 1.00 . A A . 46 TYR CE2 1 1 17 15227 1 1 46 TYR CG C 6.391 5.146 0.363 1.00 . A A . 46 TYR CG 1 1 17 15228 1 1 46 TYR CZ C 7.463 3.219 2.039 1.00 . A A . 46 TYR CZ 1 1 17 15229 1 1 46 TYR H H 5.939 7.600 -3.171 1.00 . A A . 46 TYR H 1 1 17 15230 1 1 46 TYR HA H 7.669 7.191 -0.877 1.00 . A A . 46 TYR HA 1 1 17 15231 1 1 46 TYR HB2 H 5.424 6.973 -0.027 1.00 . A A . 46 TYR HB2 1 1 17 15232 1 1 46 TYR HB3 H 5.080 5.686 -1.201 1.00 . A A . 46 TYR HB3 1 1 17 15233 1 1 46 TYR HD1 H 7.552 6.534 1.466 1.00 . A A . 46 TYR HD1 1 1 17 15234 1 1 46 TYR HD2 H 5.340 3.669 -0.549 1.00 . A A . 46 TYR HD2 1 1 17 15235 1 1 46 TYR HE1 H 8.520 4.828 2.985 1.00 . A A . 46 TYR HE1 1 1 17 15236 1 1 46 TYR HE2 H 6.269 1.849 0.886 1.00 . A A . 46 TYR HE2 1 1 17 15237 1 1 46 TYR HH H 7.954 2.482 3.777 1.00 . A A . 46 TYR HH 1 1 17 15238 1 1 46 TYR N N 6.503 7.765 -2.378 1.00 . A A . 46 TYR N 1 1 17 15239 1 1 46 TYR O O 7.352 5.074 -3.222 1.00 . A A . 46 TYR O 1 1 17 15240 1 1 46 TYR OH O 7.997 2.246 2.847 1.00 . A A . 46 TYR OH 1 1 17 15241 1 1 47 ILE C C 10.304 3.496 -1.291 1.00 . A A . 47 ILE C 1 1 17 15242 1 1 47 ILE CA C 9.933 4.632 -2.228 1.00 . A A . 47 ILE CA 1 1 17 15243 1 1 47 ILE CB C 11.093 5.518 -2.645 1.00 . A A . 47 ILE CB 1 1 17 15244 1 1 47 ILE CD1 C 11.384 7.425 -4.252 1.00 . A A . 47 ILE CD1 1 1 17 15245 1 1 47 ILE CG1 C 10.546 6.342 -3.792 1.00 . A A . 47 ILE CG1 1 1 17 15246 1 1 47 ILE CG2 C 12.340 4.724 -3.046 1.00 . A A . 47 ILE CG2 1 1 17 15247 1 1 47 ILE H H 8.892 6.002 -0.859 1.00 . A A . 47 ILE H 1 1 17 15248 1 1 47 ILE HA H 9.511 4.218 -3.134 1.00 . A A . 47 ILE HA 1 1 17 15249 1 1 47 ILE HB H 11.328 6.203 -1.844 1.00 . A A . 47 ILE HB 1 1 17 15250 1 1 47 ILE HD11 H 12.308 7.017 -4.631 1.00 . A A . 47 ILE HD11 1 1 17 15251 1 1 47 ILE HD12 H 11.518 8.066 -3.394 1.00 . A A . 47 ILE HD12 1 1 17 15252 1 1 47 ILE HD13 H 10.765 7.884 -5.011 1.00 . A A . 47 ILE HD13 1 1 17 15253 1 1 47 ILE HG12 H 10.370 5.696 -4.638 1.00 . A A . 47 ILE HG12 1 1 17 15254 1 1 47 ILE HG13 H 9.594 6.755 -3.487 1.00 . A A . 47 ILE HG13 1 1 17 15255 1 1 47 ILE HG21 H 12.120 4.075 -3.880 1.00 . A A . 47 ILE HG21 1 1 17 15256 1 1 47 ILE HG22 H 12.674 4.116 -2.218 1.00 . A A . 47 ILE HG22 1 1 17 15257 1 1 47 ILE HG23 H 13.130 5.402 -3.324 1.00 . A A . 47 ILE HG23 1 1 17 15258 1 1 47 ILE N N 8.916 5.473 -1.683 1.00 . A A . 47 ILE N 1 1 17 15259 1 1 47 ILE O O 10.571 3.705 -0.119 1.00 . A A . 47 ILE O 1 1 17 15260 1 1 48 CYS C C 11.940 0.547 -1.164 1.00 . A A . 48 CYS C 1 1 17 15261 1 1 48 CYS CA C 10.471 1.081 -1.070 1.00 . A A . 48 CYS CA 1 1 17 15262 1 1 48 CYS CB C 9.438 0.015 -1.518 1.00 . A A . 48 CYS CB 1 1 17 15263 1 1 48 CYS H H 10.133 2.288 -2.800 1.00 . A A . 48 CYS H 1 1 17 15264 1 1 48 CYS HA H 10.278 1.323 -0.037 1.00 . A A . 48 CYS HA 1 1 17 15265 1 1 48 CYS HB2 H 9.441 -0.787 -0.795 1.00 . A A . 48 CYS HB2 1 1 17 15266 1 1 48 CYS HB3 H 8.450 0.463 -1.523 1.00 . A A . 48 CYS HB3 1 1 17 15267 1 1 48 CYS N N 10.282 2.292 -1.838 1.00 . A A . 48 CYS N 1 1 17 15268 1 1 48 CYS O O 12.853 1.267 -1.541 1.00 . A A . 48 CYS O 1 1 17 15269 1 1 48 CYS SG S 9.685 -0.783 -3.147 1.00 . A A . 48 CYS SG 1 1 17 15270 1 1 49 ILE C C 13.968 -1.833 -2.078 1.00 . A A . 49 ILE C 1 1 17 15271 1 1 49 ILE CA C 13.447 -1.318 -0.759 1.00 . A A . 49 ILE CA 1 1 17 15272 1 1 49 ILE CB C 13.470 -2.376 0.312 1.00 . A A . 49 ILE CB 1 1 17 15273 1 1 49 ILE CD1 C 13.015 -4.604 -0.885 1.00 . A A . 49 ILE CD1 1 1 17 15274 1 1 49 ILE CG1 C 12.529 -3.522 0.066 1.00 . A A . 49 ILE CG1 1 1 17 15275 1 1 49 ILE CG2 C 13.092 -1.720 1.582 1.00 . A A . 49 ILE CG2 1 1 17 15276 1 1 49 ILE H H 11.362 -1.264 -0.566 1.00 . A A . 49 ILE H 1 1 17 15277 1 1 49 ILE HA H 14.100 -0.546 -0.407 1.00 . A A . 49 ILE HA 1 1 17 15278 1 1 49 ILE HB H 14.481 -2.735 0.367 1.00 . A A . 49 ILE HB 1 1 17 15279 1 1 49 ILE HD11 H 12.255 -5.366 -0.970 1.00 . A A . 49 ILE HD11 1 1 17 15280 1 1 49 ILE HD12 H 13.924 -5.041 -0.498 1.00 . A A . 49 ILE HD12 1 1 17 15281 1 1 49 ILE HD13 H 13.210 -4.174 -1.855 1.00 . A A . 49 ILE HD13 1 1 17 15282 1 1 49 ILE HG12 H 12.494 -3.893 1.068 1.00 . A A . 49 ILE HG12 1 1 17 15283 1 1 49 ILE HG13 H 11.554 -3.152 -0.219 1.00 . A A . 49 ILE HG13 1 1 17 15284 1 1 49 ILE HG21 H 13.830 -0.981 1.849 1.00 . A A . 49 ILE HG21 1 1 17 15285 1 1 49 ILE HG22 H 12.886 -2.444 2.356 1.00 . A A . 49 ILE HG22 1 1 17 15286 1 1 49 ILE HG23 H 12.200 -1.208 1.251 1.00 . A A . 49 ILE HG23 1 1 17 15287 1 1 49 ILE N N 12.135 -0.719 -0.819 1.00 . A A . 49 ILE N 1 1 17 15288 1 1 49 ILE O O 15.144 -2.151 -2.220 1.00 . A A . 49 ILE O 1 1 17 15289 1 1 50 ASN C C 14.151 -1.407 -5.203 1.00 . A A . 50 ASN C 1 1 17 15290 1 1 50 ASN CA C 13.460 -2.453 -4.365 1.00 . A A . 50 ASN CA 1 1 17 15291 1 1 50 ASN CB C 12.223 -3.004 -5.132 1.00 . A A . 50 ASN CB 1 1 17 15292 1 1 50 ASN CG C 11.631 -4.279 -4.527 1.00 . A A . 50 ASN CG 1 1 17 15293 1 1 50 ASN H H 12.186 -1.670 -2.771 1.00 . A A . 50 ASN H 1 1 17 15294 1 1 50 ASN HA H 14.152 -3.268 -4.207 1.00 . A A . 50 ASN HA 1 1 17 15295 1 1 50 ASN HB2 H 11.451 -2.250 -5.121 1.00 . A A . 50 ASN HB2 1 1 17 15296 1 1 50 ASN HB3 H 12.521 -3.202 -6.150 1.00 . A A . 50 ASN HB3 1 1 17 15297 1 1 50 ASN HD21 H 9.778 -3.851 -5.204 1.00 . A A . 50 ASN HD21 1 1 17 15298 1 1 50 ASN HD22 H 9.944 -5.295 -4.310 1.00 . A A . 50 ASN HD22 1 1 17 15299 1 1 50 ASN N N 13.097 -1.924 -3.024 1.00 . A A . 50 ASN N 1 1 17 15300 1 1 50 ASN ND2 N 10.342 -4.487 -4.699 1.00 . A A . 50 ASN ND2 1 1 17 15301 1 1 50 ASN O O 14.917 -1.714 -6.099 1.00 . A A . 50 ASN O 1 1 17 15302 1 1 50 ASN OD1 O 12.340 -5.074 -3.932 1.00 . A A . 50 ASN OD1 1 1 17 15303 1 1 51 CYS C C 15.434 1.758 -4.831 1.00 . A A . 51 CYS C 1 1 17 15304 1 1 51 CYS CA C 14.370 0.963 -5.601 1.00 . A A . 51 CYS CA 1 1 17 15305 1 1 51 CYS CB C 13.159 1.812 -5.783 1.00 . A A . 51 CYS CB 1 1 17 15306 1 1 51 CYS H H 13.379 0.014 -4.060 1.00 . A A . 51 CYS H 1 1 17 15307 1 1 51 CYS HA H 14.722 0.670 -6.578 1.00 . A A . 51 CYS HA 1 1 17 15308 1 1 51 CYS HB2 H 13.540 2.818 -5.785 1.00 . A A . 51 CYS HB2 1 1 17 15309 1 1 51 CYS HB3 H 12.499 1.655 -6.631 1.00 . A A . 51 CYS HB3 1 1 17 15310 1 1 51 CYS N N 13.908 -0.187 -4.861 1.00 . A A . 51 CYS N 1 1 17 15311 1 1 51 CYS O O 16.264 2.451 -5.425 1.00 . A A . 51 CYS O 1 1 17 15312 1 1 51 CYS SG S 12.173 1.773 -4.307 1.00 . A A . 51 CYS SG 1 1 17 15313 1 1 52 ALA C C 17.794 2.061 -2.875 1.00 . A A . 52 ALA C 1 1 17 15314 1 1 52 ALA CA C 16.320 2.424 -2.639 1.00 . A A . 52 ALA CA 1 1 17 15315 1 1 52 ALA CB C 15.956 2.235 -1.173 1.00 . A A . 52 ALA CB 1 1 17 15316 1 1 52 ALA H H 14.787 0.998 -3.123 1.00 . A A . 52 ALA H 1 1 17 15317 1 1 52 ALA HA H 16.195 3.467 -2.887 1.00 . A A . 52 ALA HA 1 1 17 15318 1 1 52 ALA HB1 H 16.074 1.193 -0.916 1.00 . A A . 52 ALA HB1 1 1 17 15319 1 1 52 ALA HB2 H 14.923 2.516 -1.033 1.00 . A A . 52 ALA HB2 1 1 17 15320 1 1 52 ALA HB3 H 16.593 2.847 -0.549 1.00 . A A . 52 ALA HB3 1 1 17 15321 1 1 52 ALA N N 15.408 1.648 -3.506 1.00 . A A . 52 ALA N 1 1 17 15322 2 2 1 ALA C C 1.129 8.572 -3.755 1.00 . B B . 301 ALA C 1 1 17 15323 2 2 1 ALA CA C 2.575 8.820 -3.408 1.00 . B B . 301 ALA CA 1 1 17 15324 2 2 1 ALA CB C 3.043 7.742 -2.452 1.00 . B B . 301 ALA CB 1 1 17 15325 2 2 1 ALA HA H 3.173 8.755 -4.306 1.00 . B B . 301 ALA HA 1 1 17 15326 2 2 1 ALA HB1 H 4.102 7.837 -2.256 1.00 . B B . 301 ALA HB1 1 1 17 15327 2 2 1 ALA HB2 H 2.840 6.786 -2.918 1.00 . B B . 301 ALA HB2 1 1 17 15328 2 2 1 ALA HB3 H 2.480 7.806 -1.532 1.00 . B B . 301 ALA HB3 1 1 17 15329 2 2 1 ALA N N 2.757 10.171 -2.836 1.00 . B B . 301 ALA N 1 1 17 15330 2 2 1 ALA O O 0.204 9.219 -3.219 1.00 . B B . 301 ALA O 1 1 17 15331 2 2 2 ARG C C -0.970 6.370 -3.918 1.00 . B B . 302 ARG C 1 1 17 15332 2 2 2 ARG CA C -0.400 7.271 -4.999 1.00 . B B . 302 ARG CA 1 1 17 15333 2 2 2 ARG CB C -0.424 6.591 -6.366 1.00 . B B . 302 ARG CB 1 1 17 15334 2 2 2 ARG CD C -0.064 6.772 -8.819 1.00 . B B . 302 ARG CD 1 1 17 15335 2 2 2 ARG CG C 0.060 7.478 -7.494 1.00 . B B . 302 ARG CG 1 1 17 15336 2 2 2 ARG CZ C -0.111 7.447 -11.191 1.00 . B B . 302 ARG CZ 1 1 17 15337 2 2 2 ARG H H 1.704 7.198 -5.029 1.00 . B B . 302 ARG H 1 1 17 15338 2 2 2 ARG HA H -0.991 8.176 -5.039 1.00 . B B . 302 ARG HA 1 1 17 15339 2 2 2 ARG HB2 H 0.217 5.723 -6.330 1.00 . B B . 302 ARG HB2 1 1 17 15340 2 2 2 ARG HB3 H -1.430 6.265 -6.591 1.00 . B B . 302 ARG HB3 1 1 17 15341 2 2 2 ARG HD2 H 0.547 5.881 -8.810 1.00 . B B . 302 ARG HD2 1 1 17 15342 2 2 2 ARG HD3 H -1.094 6.487 -8.958 1.00 . B B . 302 ARG HD3 1 1 17 15343 2 2 2 ARG HE H 1.042 8.272 -9.702 1.00 . B B . 302 ARG HE 1 1 17 15344 2 2 2 ARG HG2 H -0.540 8.375 -7.515 1.00 . B B . 302 ARG HG2 1 1 17 15345 2 2 2 ARG HG3 H 1.097 7.733 -7.329 1.00 . B B . 302 ARG HG3 1 1 17 15346 2 2 2 ARG HH11 H -1.497 5.999 -10.703 1.00 . B B . 302 ARG HH11 1 1 17 15347 2 2 2 ARG HH12 H -1.459 6.384 -12.357 1.00 . B B . 302 ARG HH12 1 1 17 15348 2 2 2 ARG HH21 H 1.088 8.878 -12.015 1.00 . B B . 302 ARG HH21 1 1 17 15349 2 2 2 ARG HH22 H 0.067 8.090 -13.126 1.00 . B B . 302 ARG HH22 1 1 17 15350 2 2 2 ARG N N 0.921 7.642 -4.635 1.00 . B B . 302 ARG N 1 1 17 15351 2 2 2 ARG NE N 0.349 7.604 -9.942 1.00 . B B . 302 ARG NE 1 1 17 15352 2 2 2 ARG NH1 N -1.088 6.548 -11.440 1.00 . B B . 302 ARG NH1 1 1 17 15353 2 2 2 ARG NH2 N 0.377 8.184 -12.179 1.00 . B B . 302 ARG NH2 1 1 17 15354 2 2 2 ARG O O -0.469 5.277 -3.669 1.00 . B B . 302 ARG O 1 1 17 15355 2 2 3 THR C C -4.069 5.864 -2.556 1.00 . B B . 303 THR C 1 1 17 15356 2 2 3 THR CA C -2.614 6.136 -2.196 1.00 . B B . 303 THR CA 1 1 17 15357 2 2 3 THR CB C -2.524 6.926 -0.883 1.00 . B B . 303 THR CB 1 1 17 15358 2 2 3 THR CG2 C -1.140 6.815 -0.296 1.00 . B B . 303 THR CG2 1 1 17 15359 2 2 3 THR H H -2.306 7.754 -3.441 1.00 . B B . 303 THR H 1 1 17 15360 2 2 3 THR HA H -2.067 5.208 -2.072 1.00 . B B . 303 THR HA 1 1 17 15361 2 2 3 THR HB H -3.240 6.506 -0.193 1.00 . B B . 303 THR HB 1 1 17 15362 2 2 3 THR HG1 H -2.038 8.821 -1.122 1.00 . B B . 303 THR HG1 1 1 17 15363 2 2 3 THR HG21 H -0.947 5.763 -0.138 1.00 . B B . 303 THR HG21 1 1 17 15364 2 2 3 THR HG22 H -1.089 7.357 0.638 1.00 . B B . 303 THR HG22 1 1 17 15365 2 2 3 THR HG23 H -0.433 7.217 -1.008 1.00 . B B . 303 THR HG23 1 1 17 15366 2 2 3 THR N N -1.966 6.857 -3.246 1.00 . B B . 303 THR N 1 1 17 15367 2 2 3 THR O O -4.685 6.634 -3.300 1.00 . B B . 303 THR O 1 1 17 15368 2 2 3 THR OG1 O -2.857 8.314 -1.112 1.00 . B B . 303 THR OG1 1 1 17 15369 2 2 4 . C C -6.493 3.384 -1.325 1.00 . B B . 304 M3L C 1 1 17 15370 2 2 4 . CA C -5.998 4.374 -2.325 1.00 . B B . 304 M3L CA 1 1 17 15371 2 2 4 . CB C -6.211 3.899 -3.793 1.00 . B B . 304 M3L CB 1 1 17 15372 2 2 4 . CD C -5.258 1.538 -3.906 1.00 . B B . 304 M3L CD 1 1 17 15373 2 2 4 . CE C -6.249 0.663 -4.704 1.00 . B B . 304 M3L CE 1 1 17 15374 2 2 4 . CG C -5.153 2.980 -4.336 1.00 . B B . 304 M3L CG 1 1 17 15375 2 2 4 . CM1 C -4.539 -0.712 -5.951 1.00 . B B . 304 M3L CM1 1 1 17 15376 2 2 4 . CM2 C -5.521 1.261 -7.057 1.00 . B B . 304 M3L CM2 1 1 17 15377 2 2 4 . CM3 C -6.789 -0.756 -6.654 1.00 . B B . 304 M3L CM3 1 1 17 15378 2 2 4 . H H -4.043 4.217 -1.468 1.00 . B B . 304 M3L H 1 1 17 15379 2 2 4 . HA H -6.575 5.272 -2.170 1.00 . B B . 304 M3L HA 1 1 17 15380 2 2 4 . HB2 H -6.396 4.710 -4.484 1.00 . B B . 304 M3L HB2 1 1 17 15381 2 2 4 . HB3 H -7.050 3.225 -3.716 1.00 . B B . 304 M3L HB3 1 1 17 15382 2 2 4 . HD2 H -5.554 1.521 -2.867 1.00 . B B . 304 M3L HD2 1 1 17 15383 2 2 4 . HD3 H -4.290 1.070 -4.015 1.00 . B B . 304 M3L HD3 1 1 17 15384 2 2 4 . HE2 H -7.184 1.185 -4.803 1.00 . B B . 304 M3L HE2 1 1 17 15385 2 2 4 . HE3 H -6.380 -0.191 -4.060 1.00 . B B . 304 M3L HE3 1 1 17 15386 2 2 4 . HG2 H -4.197 3.371 -4.024 1.00 . B B . 304 M3L HG2 1 1 17 15387 2 2 4 . HG3 H -5.205 2.980 -5.403 1.00 . B B . 304 M3L HG3 1 1 17 15388 2 2 4 . HM11 H -4.678 -1.598 -5.338 1.00 . B B . 304 M3L HM11 1 1 17 15389 2 2 4 . HM12 H -3.723 -0.165 -5.500 1.00 . B B . 304 M3L HM12 1 1 17 15390 2 2 4 . HM13 H -4.110 -1.058 -6.887 1.00 . B B . 304 M3L HM13 1 1 17 15391 2 2 4 . HM21 H -6.290 2.020 -7.030 1.00 . B B . 304 M3L HM21 1 1 17 15392 2 2 4 . HM22 H -5.460 0.930 -8.083 1.00 . B B . 304 M3L HM22 1 1 17 15393 2 2 4 . HM23 H -4.585 1.766 -6.881 1.00 . B B . 304 M3L HM23 1 1 17 15394 2 2 4 . HM31 H -6.567 -1.052 -7.669 1.00 . B B . 304 M3L HM31 1 1 17 15395 2 2 4 . HM32 H -7.774 -0.313 -6.671 1.00 . B B . 304 M3L HM32 1 1 17 15396 2 2 4 . HM33 H -6.889 -1.672 -6.089 1.00 . B B . 304 M3L HM33 1 1 17 15397 2 2 4 . N N -4.604 4.770 -2.058 1.00 . B B . 304 M3L N 1 1 17 15398 2 2 4 . NZ N -5.762 0.132 -6.092 1.00 . B B . 304 M3L NZ 1 1 17 15399 2 2 4 . O O -5.718 2.888 -0.527 1.00 . B B . 304 M3L O 1 1 17 15400 2 2 5 GLN C C -9.362 1.326 -1.171 1.00 . B B . 305 GLN C 1 1 17 15401 2 2 5 GLN CA C -8.389 2.216 -0.432 1.00 . B B . 305 GLN CA 1 1 17 15402 2 2 5 GLN CB C -9.103 3.044 0.644 1.00 . B B . 305 GLN CB 1 1 17 15403 2 2 5 GLN CD C -10.376 3.126 2.799 1.00 . B B . 305 GLN CD 1 1 17 15404 2 2 5 GLN CG C -9.720 2.244 1.770 1.00 . B B . 305 GLN CG 1 1 17 15405 2 2 5 GLN H H -8.343 3.485 -2.069 1.00 . B B . 305 GLN H 1 1 17 15406 2 2 5 GLN HA H -7.627 1.610 0.030 1.00 . B B . 305 GLN HA 1 1 17 15407 2 2 5 GLN HB2 H -8.388 3.730 1.073 1.00 . B B . 305 GLN HB2 1 1 17 15408 2 2 5 GLN HB3 H -9.887 3.612 0.163 1.00 . B B . 305 GLN HB3 1 1 17 15409 2 2 5 GLN HE21 H -8.683 3.260 3.848 1.00 . B B . 305 GLN HE21 1 1 17 15410 2 2 5 GLN HE22 H -10.043 4.110 4.470 1.00 . B B . 305 GLN HE22 1 1 17 15411 2 2 5 GLN HG2 H -10.466 1.579 1.358 1.00 . B B . 305 GLN HG2 1 1 17 15412 2 2 5 GLN HG3 H -8.947 1.666 2.251 1.00 . B B . 305 GLN HG3 1 1 17 15413 2 2 5 GLN N N -7.772 3.101 -1.373 1.00 . B B . 305 GLN N 1 1 17 15414 2 2 5 GLN NE2 N -9.632 3.533 3.796 1.00 . B B . 305 GLN NE2 1 1 17 15415 2 2 5 GLN O O -10.098 1.795 -2.037 1.00 . B B . 305 GLN O 1 1 17 15416 2 2 5 GLN OE1 O -11.555 3.434 2.690 1.00 . B B . 305 GLN OE1 1 1 17 15417 2 2 6 THR C C -11.238 -1.421 -0.529 1.00 . B B . 306 THR C 1 1 17 15418 2 2 6 THR CA C -10.220 -0.887 -1.515 1.00 . B B . 306 THR CA 1 1 17 15419 2 2 6 THR CB C -9.428 -2.085 -2.106 1.00 . B B . 306 THR CB 1 1 17 15420 2 2 6 THR CG2 C -8.458 -1.635 -3.217 1.00 . B B . 306 THR CG2 1 1 17 15421 2 2 6 THR H H -8.716 -0.249 -0.169 1.00 . B B . 306 THR H 1 1 17 15422 2 2 6 THR HA H -10.734 -0.384 -2.322 1.00 . B B . 306 THR HA 1 1 17 15423 2 2 6 THR HB H -10.133 -2.793 -2.515 1.00 . B B . 306 THR HB 1 1 17 15424 2 2 6 THR HG1 H -9.292 -2.725 -0.295 1.00 . B B . 306 THR HG1 1 1 17 15425 2 2 6 THR HG21 H -8.982 -1.114 -4.003 1.00 . B B . 306 THR HG21 1 1 17 15426 2 2 6 THR HG22 H -7.923 -2.480 -3.631 1.00 . B B . 306 THR HG22 1 1 17 15427 2 2 6 THR HG23 H -7.695 -1.000 -2.785 1.00 . B B . 306 THR HG23 1 1 17 15428 2 2 6 THR N N -9.343 0.057 -0.866 1.00 . B B . 306 THR N 1 1 17 15429 2 2 6 THR O O -10.861 -1.906 0.552 1.00 . B B . 306 THR O 1 1 17 15430 2 2 6 THR OG1 O -8.694 -2.723 -1.054 1.00 . B B . 306 THR OG1 1 1 17 15431 2 2 7 ALA C C -14.006 -3.219 -0.587 1.00 . B B . 307 ALA C 1 1 17 15432 2 2 7 ALA CA C -13.549 -1.863 -0.053 1.00 . B B . 307 ALA CA 1 1 17 15433 2 2 7 ALA CB C -14.718 -0.883 0.011 1.00 . B B . 307 ALA CB 1 1 17 15434 2 2 7 ALA H H -12.743 -0.926 -1.734 1.00 . B B . 307 ALA H 1 1 17 15435 2 2 7 ALA HA H -13.165 -2.005 0.947 1.00 . B B . 307 ALA HA 1 1 17 15436 2 2 7 ALA HB1 H -15.474 -1.303 0.661 1.00 . B B . 307 ALA HB1 1 1 17 15437 2 2 7 ALA HB2 H -15.116 -0.710 -0.978 1.00 . B B . 307 ALA HB2 1 1 17 15438 2 2 7 ALA HB3 H -14.366 0.046 0.439 1.00 . B B . 307 ALA HB3 1 1 17 15439 2 2 7 ALA N N -12.496 -1.342 -0.881 1.00 . B B . 307 ALA N 1 1 17 15440 2 2 7 ALA O O -14.394 -3.320 -1.744 1.00 . B B . 307 ALA O 1 1 17 15441 2 2 8 ARG C C -15.024 -6.476 0.882 1.00 . B B . 308 ARG C 1 1 17 15442 2 2 8 ARG CA C -14.344 -5.590 -0.208 1.00 . B B . 308 ARG CA 1 1 17 15443 2 2 8 ARG CB C -13.242 -6.302 -1.052 1.00 . B B . 308 ARG CB 1 1 17 15444 2 2 8 ARG CD C -10.807 -6.878 -1.399 1.00 . B B . 308 ARG CD 1 1 17 15445 2 2 8 ARG CG C -11.878 -6.474 -0.382 1.00 . B B . 308 ARG CG 1 1 17 15446 2 2 8 ARG CZ C -10.574 -8.466 -3.315 1.00 . B B . 308 ARG CZ 1 1 17 15447 2 2 8 ARG H H -13.607 -4.117 1.154 1.00 . B B . 308 ARG H 1 1 17 15448 2 2 8 ARG HA H -15.154 -5.344 -0.879 1.00 . B B . 308 ARG HA 1 1 17 15449 2 2 8 ARG HB2 H -13.596 -7.285 -1.328 1.00 . B B . 308 ARG HB2 1 1 17 15450 2 2 8 ARG HB3 H -13.106 -5.742 -1.964 1.00 . B B . 308 ARG HB3 1 1 17 15451 2 2 8 ARG HD2 H -10.653 -6.076 -2.105 1.00 . B B . 308 ARG HD2 1 1 17 15452 2 2 8 ARG HD3 H -9.881 -7.041 -0.867 1.00 . B B . 308 ARG HD3 1 1 17 15453 2 2 8 ARG HE H -11.824 -8.670 -1.727 1.00 . B B . 308 ARG HE 1 1 17 15454 2 2 8 ARG HG2 H -11.580 -5.548 0.087 1.00 . B B . 308 ARG HG2 1 1 17 15455 2 2 8 ARG HG3 H -11.951 -7.243 0.372 1.00 . B B . 308 ARG HG3 1 1 17 15456 2 2 8 ARG HH11 H -9.388 -6.802 -3.550 1.00 . B B . 308 ARG HH11 1 1 17 15457 2 2 8 ARG HH12 H -9.282 -7.954 -4.795 1.00 . B B . 308 ARG HH12 1 1 17 15458 2 2 8 ARG HH21 H -11.605 -10.217 -3.491 1.00 . B B . 308 ARG HH21 1 1 17 15459 2 2 8 ARG HH22 H -10.530 -9.920 -4.759 1.00 . B B . 308 ARG HH22 1 1 17 15460 2 2 8 ARG N N -13.933 -4.266 0.242 1.00 . B B . 308 ARG N 1 1 17 15461 2 2 8 ARG NE N -11.139 -8.100 -2.142 1.00 . B B . 308 ARG NE 1 1 17 15462 2 2 8 ARG NH1 N -9.688 -7.683 -3.915 1.00 . B B . 308 ARG NH1 1 1 17 15463 2 2 8 ARG NH2 N -10.921 -9.605 -3.890 1.00 . B B . 308 ARG NH2 1 1 17 15464 2 2 8 ARG O O -16.239 -6.387 1.071 1.00 . B B . 308 ARG O 1 1 17 15465 2 2 9 LYS C C -14.999 -7.559 4.014 1.00 . B B . 309 LYS C 1 1 17 15466 2 2 9 LYS CA C -14.917 -8.188 2.624 1.00 . B B . 309 LYS CA 1 1 17 15467 2 2 9 LYS CB C -14.221 -9.560 2.701 1.00 . B B . 309 LYS CB 1 1 17 15468 2 2 9 LYS CD C -13.580 -11.747 1.614 1.00 . B B . 309 LYS CD 1 1 17 15469 2 2 9 LYS CE C -13.679 -12.641 0.367 1.00 . B B . 309 LYS CE 1 1 17 15470 2 2 9 LYS CG C -14.300 -10.402 1.425 1.00 . B B . 309 LYS CG 1 1 17 15471 2 2 9 LYS H H -13.293 -7.276 1.555 1.00 . B B . 309 LYS H 1 1 17 15472 2 2 9 LYS HA H -15.934 -8.337 2.286 1.00 . B B . 309 LYS HA 1 1 17 15473 2 2 9 LYS HB2 H -13.176 -9.398 2.914 1.00 . B B . 309 LYS HB2 1 1 17 15474 2 2 9 LYS HB3 H -14.650 -10.129 3.512 1.00 . B B . 309 LYS HB3 1 1 17 15475 2 2 9 LYS HD2 H -12.537 -11.567 1.830 1.00 . B B . 309 LYS HD2 1 1 17 15476 2 2 9 LYS HD3 H -14.021 -12.265 2.453 1.00 . B B . 309 LYS HD3 1 1 17 15477 2 2 9 LYS HE2 H -13.252 -12.131 -0.483 1.00 . B B . 309 LYS HE2 1 1 17 15478 2 2 9 LYS HE3 H -13.110 -13.537 0.550 1.00 . B B . 309 LYS HE3 1 1 17 15479 2 2 9 LYS HG2 H -15.336 -10.595 1.188 1.00 . B B . 309 LYS HG2 1 1 17 15480 2 2 9 LYS HG3 H -13.827 -9.862 0.617 1.00 . B B . 309 LYS HG3 1 1 17 15481 2 2 9 LYS HZ1 H -15.667 -12.193 -0.163 1.00 . B B . 309 LYS HZ1 1 1 17 15482 2 2 9 LYS HZ2 H -15.518 -13.551 0.824 1.00 . B B . 309 LYS HZ2 1 1 17 15483 2 2 9 LYS HZ3 H -15.103 -13.643 -0.793 1.00 . B B . 309 LYS HZ3 1 1 17 15484 2 2 9 LYS N N -14.272 -7.285 1.627 1.00 . B B . 309 LYS N 1 1 17 15485 2 2 9 LYS NZ N -15.080 -13.025 0.041 1.00 . B B . 309 LYS NZ 1 1 17 15486 3 3 1 ZN ZN ZN 10.177 0.764 -4.777 1.00 . C A . 53 ZN ZN 1 1 17 15487 4 3 1 ZN ZN ZN 0.381 -5.734 1.806 1.00 . D A . 54 ZN ZN 1 1 18 15488 1 1 1 SER C C -5.469 -8.261 -1.246 1.00 . A A . 1 SER C 1 1 18 15489 1 1 1 SER CA C -6.933 -8.021 -1.680 1.00 . A A . 1 SER CA 1 1 18 15490 1 1 1 SER CB C -7.650 -9.345 -1.990 1.00 . A A . 1 SER CB 1 1 18 15491 1 1 1 SER HA H -7.445 -7.511 -0.876 1.00 . A A . 1 SER HA 1 1 18 15492 1 1 1 SER HB2 H -7.142 -9.845 -2.803 1.00 . A A . 1 SER HB2 1 1 18 15493 1 1 1 SER HB3 H -7.644 -9.970 -1.109 1.00 . A A . 1 SER HB3 1 1 18 15494 1 1 1 SER HG H -9.264 -9.796 -3.004 1.00 . A A . 1 SER HG 1 1 18 15495 1 1 1 SER N N -6.992 -7.131 -2.871 1.00 . A A . 1 SER N 1 1 18 15496 1 1 1 SER O O -5.051 -7.848 -0.141 1.00 . A A . 1 SER O 1 1 18 15497 1 1 1 SER OG O -9.009 -9.104 -2.380 1.00 . A A . 1 SER OG 1 1 18 15498 1 1 2 VAL C C -2.466 -8.224 -2.717 1.00 . A A . 2 VAL C 1 1 18 15499 1 1 2 VAL CA C -3.290 -9.144 -1.847 1.00 . A A . 2 VAL CA 1 1 18 15500 1 1 2 VAL CB C -2.882 -10.609 -2.141 1.00 . A A . 2 VAL CB 1 1 18 15501 1 1 2 VAL CG1 C -1.440 -10.890 -1.677 1.00 . A A . 2 VAL CG1 1 1 18 15502 1 1 2 VAL CG2 C -3.862 -11.586 -1.516 1.00 . A A . 2 VAL CG2 1 1 18 15503 1 1 2 VAL H H -5.037 -9.132 -3.003 1.00 . A A . 2 VAL H 1 1 18 15504 1 1 2 VAL HA H -3.135 -8.917 -0.801 1.00 . A A . 2 VAL HA 1 1 18 15505 1 1 2 VAL HB H -2.910 -10.732 -3.214 1.00 . A A . 2 VAL HB 1 1 18 15506 1 1 2 VAL HG11 H -0.753 -10.232 -2.188 1.00 . A A . 2 VAL HG11 1 1 18 15507 1 1 2 VAL HG12 H -1.159 -11.908 -1.899 1.00 . A A . 2 VAL HG12 1 1 18 15508 1 1 2 VAL HG13 H -1.351 -10.712 -0.616 1.00 . A A . 2 VAL HG13 1 1 18 15509 1 1 2 VAL HG21 H -4.848 -11.426 -1.929 1.00 . A A . 2 VAL HG21 1 1 18 15510 1 1 2 VAL HG22 H -3.889 -11.419 -0.451 1.00 . A A . 2 VAL HG22 1 1 18 15511 1 1 2 VAL HG23 H -3.541 -12.601 -1.703 1.00 . A A . 2 VAL HG23 1 1 18 15512 1 1 2 VAL N N -4.683 -8.877 -2.125 1.00 . A A . 2 VAL N 1 1 18 15513 1 1 2 VAL O O -2.827 -7.964 -3.868 1.00 . A A . 2 VAL O 1 1 18 15514 1 1 3 CYS C C 0.795 -7.355 -3.082 1.00 . A A . 3 CYS C 1 1 18 15515 1 1 3 CYS CA C -0.600 -6.763 -2.854 1.00 . A A . 3 CYS CA 1 1 18 15516 1 1 3 CYS CB C -0.463 -5.509 -2.008 1.00 . A A . 3 CYS CB 1 1 18 15517 1 1 3 CYS H H -1.090 -8.057 -1.309 1.00 . A A . 3 CYS H 1 1 18 15518 1 1 3 CYS HA H -1.062 -6.514 -3.797 1.00 . A A . 3 CYS HA 1 1 18 15519 1 1 3 CYS HB2 H -0.336 -4.646 -2.647 1.00 . A A . 3 CYS HB2 1 1 18 15520 1 1 3 CYS HB3 H -1.353 -5.381 -1.411 1.00 . A A . 3 CYS HB3 1 1 18 15521 1 1 3 CYS N N -1.397 -7.728 -2.178 1.00 . A A . 3 CYS N 1 1 18 15522 1 1 3 CYS O O 1.076 -8.484 -2.645 1.00 . A A . 3 CYS O 1 1 18 15523 1 1 3 CYS SG S 0.931 -5.609 -0.902 1.00 . A A . 3 CYS SG 1 1 18 15524 1 1 4 ALA C C 3.811 -6.300 -2.904 1.00 . A A . 4 ALA C 1 1 18 15525 1 1 4 ALA CA C 2.990 -6.993 -3.974 1.00 . A A . 4 ALA CA 1 1 18 15526 1 1 4 ALA CB C 3.446 -6.567 -5.354 1.00 . A A . 4 ALA CB 1 1 18 15527 1 1 4 ALA H H 1.309 -5.739 -4.064 1.00 . A A . 4 ALA H 1 1 18 15528 1 1 4 ALA HA H 3.093 -8.065 -3.876 1.00 . A A . 4 ALA HA 1 1 18 15529 1 1 4 ALA HB1 H 2.847 -7.082 -6.091 1.00 . A A . 4 ALA HB1 1 1 18 15530 1 1 4 ALA HB2 H 4.486 -6.832 -5.482 1.00 . A A . 4 ALA HB2 1 1 18 15531 1 1 4 ALA HB3 H 3.328 -5.499 -5.461 1.00 . A A . 4 ALA HB3 1 1 18 15532 1 1 4 ALA N N 1.628 -6.615 -3.766 1.00 . A A . 4 ALA N 1 1 18 15533 1 1 4 ALA O O 3.849 -5.110 -2.855 1.00 . A A . 4 ALA O 1 1 18 15534 1 1 5 ALA C C 5.978 -7.750 -0.348 1.00 . A A . 5 ALA C 1 1 18 15535 1 1 5 ALA CA C 5.199 -6.575 -0.911 1.00 . A A . 5 ALA CA 1 1 18 15536 1 1 5 ALA CB C 4.303 -5.965 0.141 1.00 . A A . 5 ALA CB 1 1 18 15537 1 1 5 ALA H H 4.631 -7.995 -2.264 1.00 . A A . 5 ALA H 1 1 18 15538 1 1 5 ALA HA H 5.904 -5.841 -1.275 1.00 . A A . 5 ALA HA 1 1 18 15539 1 1 5 ALA HB1 H 3.662 -6.738 0.526 1.00 . A A . 5 ALA HB1 1 1 18 15540 1 1 5 ALA HB2 H 3.708 -5.217 -0.358 1.00 . A A . 5 ALA HB2 1 1 18 15541 1 1 5 ALA HB3 H 4.884 -5.505 0.929 1.00 . A A . 5 ALA HB3 1 1 18 15542 1 1 5 ALA N N 4.439 -7.070 -2.054 1.00 . A A . 5 ALA N 1 1 18 15543 1 1 5 ALA O O 5.421 -8.844 -0.293 1.00 . A A . 5 ALA O 1 1 18 15544 1 1 6 GLN C C 7.423 -9.519 1.668 1.00 . A A . 6 GLN C 1 1 18 15545 1 1 6 GLN CA C 8.118 -8.654 0.575 1.00 . A A . 6 GLN CA 1 1 18 15546 1 1 6 GLN CB C 9.371 -8.002 1.181 1.00 . A A . 6 GLN CB 1 1 18 15547 1 1 6 GLN CD C 11.450 -8.235 2.579 1.00 . A A . 6 GLN CD 1 1 18 15548 1 1 6 GLN CG C 10.314 -8.959 1.903 1.00 . A A . 6 GLN CG 1 1 18 15549 1 1 6 GLN H H 7.772 -6.753 -0.188 1.00 . A A . 6 GLN H 1 1 18 15550 1 1 6 GLN HA H 8.444 -9.288 -0.237 1.00 . A A . 6 GLN HA 1 1 18 15551 1 1 6 GLN HB2 H 9.920 -7.521 0.387 1.00 . A A . 6 GLN HB2 1 1 18 15552 1 1 6 GLN HB3 H 9.060 -7.239 1.879 1.00 . A A . 6 GLN HB3 1 1 18 15553 1 1 6 GLN HE21 H 12.622 -8.464 0.996 1.00 . A A . 6 GLN HE21 1 1 18 15554 1 1 6 GLN HE22 H 13.304 -7.624 2.339 1.00 . A A . 6 GLN HE22 1 1 18 15555 1 1 6 GLN HG2 H 9.752 -9.502 2.649 1.00 . A A . 6 GLN HG2 1 1 18 15556 1 1 6 GLN HG3 H 10.715 -9.646 1.176 1.00 . A A . 6 GLN HG3 1 1 18 15557 1 1 6 GLN N N 7.262 -7.565 0.006 1.00 . A A . 6 GLN N 1 1 18 15558 1 1 6 GLN NE2 N 12.563 -8.095 1.902 1.00 . A A . 6 GLN NE2 1 1 18 15559 1 1 6 GLN O O 7.392 -10.741 1.566 1.00 . A A . 6 GLN O 1 1 18 15560 1 1 6 GLN OE1 O 11.328 -7.827 3.727 1.00 . A A . 6 GLN OE1 1 1 18 15561 1 1 7 ASN C C 4.779 -9.117 3.820 1.00 . A A . 7 ASN C 1 1 18 15562 1 1 7 ASN CA C 6.177 -9.634 3.713 1.00 . A A . 7 ASN CA 1 1 18 15563 1 1 7 ASN CB C 6.907 -9.564 5.079 1.00 . A A . 7 ASN CB 1 1 18 15564 1 1 7 ASN CG C 6.324 -10.491 6.170 1.00 . A A . 7 ASN CG 1 1 18 15565 1 1 7 ASN H H 7.089 -7.931 2.666 1.00 . A A . 7 ASN H 1 1 18 15566 1 1 7 ASN HA H 6.138 -10.664 3.390 1.00 . A A . 7 ASN HA 1 1 18 15567 1 1 7 ASN HB2 H 7.939 -9.852 4.929 1.00 . A A . 7 ASN HB2 1 1 18 15568 1 1 7 ASN HB3 H 6.869 -8.549 5.447 1.00 . A A . 7 ASN HB3 1 1 18 15569 1 1 7 ASN HD21 H 8.104 -10.599 7.056 1.00 . A A . 7 ASN HD21 1 1 18 15570 1 1 7 ASN HD22 H 6.831 -11.470 7.820 1.00 . A A . 7 ASN HD22 1 1 18 15571 1 1 7 ASN N N 6.888 -8.888 2.682 1.00 . A A . 7 ASN N 1 1 18 15572 1 1 7 ASN ND2 N 7.171 -10.894 7.105 1.00 . A A . 7 ASN ND2 1 1 18 15573 1 1 7 ASN O O 4.492 -8.207 4.611 1.00 . A A . 7 ASN O 1 1 18 15574 1 1 7 ASN OD1 O 5.127 -10.828 6.182 1.00 . A A . 7 ASN OD1 1 1 18 15575 1 1 8 CYS C C 1.624 -10.078 3.721 1.00 . A A . 8 CYS C 1 1 18 15576 1 1 8 CYS CA C 2.588 -9.145 2.982 1.00 . A A . 8 CYS CA 1 1 18 15577 1 1 8 CYS CB C 2.033 -8.818 1.608 1.00 . A A . 8 CYS CB 1 1 18 15578 1 1 8 CYS H H 4.124 -10.281 2.294 1.00 . A A . 8 CYS H 1 1 18 15579 1 1 8 CYS HA H 2.609 -8.225 3.543 1.00 . A A . 8 CYS HA 1 1 18 15580 1 1 8 CYS HB2 H 2.616 -8.144 1.007 1.00 . A A . 8 CYS HB2 1 1 18 15581 1 1 8 CYS HB3 H 1.954 -9.747 1.064 1.00 . A A . 8 CYS HB3 1 1 18 15582 1 1 8 CYS N N 3.920 -9.593 2.960 1.00 . A A . 8 CYS N 1 1 18 15583 1 1 8 CYS O O 1.561 -11.293 3.469 1.00 . A A . 8 CYS O 1 1 18 15584 1 1 8 CYS SG S 0.360 -8.200 1.727 1.00 . A A . 8 CYS SG 1 1 18 15585 1 1 9 GLN C C -1.489 -9.647 4.493 1.00 . A A . 9 GLN C 1 1 18 15586 1 1 9 GLN CA C -0.238 -10.136 5.197 1.00 . A A . 9 GLN CA 1 1 18 15587 1 1 9 GLN CB C -0.350 -9.981 6.708 1.00 . A A . 9 GLN CB 1 1 18 15588 1 1 9 GLN CD C 0.493 -10.699 8.964 1.00 . A A . 9 GLN CD 1 1 18 15589 1 1 9 GLN CG C 0.724 -10.730 7.475 1.00 . A A . 9 GLN CG 1 1 18 15590 1 1 9 GLN H H 1.304 -8.612 4.780 1.00 . A A . 9 GLN H 1 1 18 15591 1 1 9 GLN HA H -0.125 -11.178 4.943 1.00 . A A . 9 GLN HA 1 1 18 15592 1 1 9 GLN HB2 H -0.285 -8.928 6.954 1.00 . A A . 9 GLN HB2 1 1 18 15593 1 1 9 GLN HB3 H -1.317 -10.350 7.019 1.00 . A A . 9 GLN HB3 1 1 18 15594 1 1 9 GLN HE21 H 1.547 -9.028 9.138 1.00 . A A . 9 GLN HE21 1 1 18 15595 1 1 9 GLN HE22 H 0.891 -9.681 10.595 1.00 . A A . 9 GLN HE22 1 1 18 15596 1 1 9 GLN HG2 H 0.739 -11.756 7.140 1.00 . A A . 9 GLN HG2 1 1 18 15597 1 1 9 GLN HG3 H 1.682 -10.277 7.264 1.00 . A A . 9 GLN HG3 1 1 18 15598 1 1 9 GLN N N 0.901 -9.491 4.627 1.00 . A A . 9 GLN N 1 1 18 15599 1 1 9 GLN NE2 N 1.031 -9.704 9.623 1.00 . A A . 9 GLN NE2 1 1 18 15600 1 1 9 GLN O O -1.573 -8.477 4.088 1.00 . A A . 9 GLN O 1 1 18 15601 1 1 9 GLN OE1 O -0.178 -11.579 9.523 1.00 . A A . 9 GLN OE1 1 1 18 15602 1 1 10 ARG C C -4.692 -9.889 4.697 1.00 . A A . 10 ARG C 1 1 18 15603 1 1 10 ARG CA C -3.661 -10.292 3.661 1.00 . A A . 10 ARG CA 1 1 18 15604 1 1 10 ARG CB C -4.108 -11.622 3.035 1.00 . A A . 10 ARG CB 1 1 18 15605 1 1 10 ARG CD C -3.504 -13.655 1.692 1.00 . A A . 10 ARG CD 1 1 18 15606 1 1 10 ARG CG C -3.064 -12.271 2.152 1.00 . A A . 10 ARG CG 1 1 18 15607 1 1 10 ARG CZ C -2.147 -15.589 0.862 1.00 . A A . 10 ARG CZ 1 1 18 15608 1 1 10 ARG H H -2.461 -11.397 4.770 1.00 . A A . 10 ARG H 1 1 18 15609 1 1 10 ARG HA H -3.544 -9.551 2.886 1.00 . A A . 10 ARG HA 1 1 18 15610 1 1 10 ARG HB2 H -4.342 -12.308 3.835 1.00 . A A . 10 ARG HB2 1 1 18 15611 1 1 10 ARG HB3 H -4.996 -11.450 2.447 1.00 . A A . 10 ARG HB3 1 1 18 15612 1 1 10 ARG HD2 H -3.677 -14.270 2.563 1.00 . A A . 10 ARG HD2 1 1 18 15613 1 1 10 ARG HD3 H -4.422 -13.551 1.130 1.00 . A A . 10 ARG HD3 1 1 18 15614 1 1 10 ARG HE H -2.042 -13.674 0.217 1.00 . A A . 10 ARG HE 1 1 18 15615 1 1 10 ARG HG2 H -2.878 -11.639 1.296 1.00 . A A . 10 ARG HG2 1 1 18 15616 1 1 10 ARG HG3 H -2.149 -12.368 2.719 1.00 . A A . 10 ARG HG3 1 1 18 15617 1 1 10 ARG HH11 H -3.474 -16.168 2.336 1.00 . A A . 10 ARG HH11 1 1 18 15618 1 1 10 ARG HH12 H -2.499 -17.398 1.720 1.00 . A A . 10 ARG HH12 1 1 18 15619 1 1 10 ARG HH21 H -0.725 -15.457 -0.606 1.00 . A A . 10 ARG HH21 1 1 18 15620 1 1 10 ARG HH22 H -0.911 -17.003 0.047 1.00 . A A . 10 ARG HH22 1 1 18 15621 1 1 10 ARG N N -2.437 -10.523 4.354 1.00 . A A . 10 ARG N 1 1 18 15622 1 1 10 ARG NE N -2.481 -14.290 0.839 1.00 . A A . 10 ARG NE 1 1 18 15623 1 1 10 ARG NH1 N -2.747 -16.427 1.694 1.00 . A A . 10 ARG NH1 1 1 18 15624 1 1 10 ARG NH2 N -1.205 -16.040 0.047 1.00 . A A . 10 ARG NH2 1 1 18 15625 1 1 10 ARG O O -5.085 -10.709 5.523 1.00 . A A . 10 ARG O 1 1 18 15626 1 1 11 PRO C C -7.484 -8.599 5.279 1.00 . A A . 11 PRO C 1 1 18 15627 1 1 11 PRO CA C -6.076 -8.160 5.663 1.00 . A A . 11 PRO CA 1 1 18 15628 1 1 11 PRO CB C -5.945 -6.631 5.628 1.00 . A A . 11 PRO CB 1 1 18 15629 1 1 11 PRO CD C -4.613 -7.574 3.815 1.00 . A A . 11 PRO CD 1 1 18 15630 1 1 11 PRO CG C -5.236 -6.303 4.342 1.00 . A A . 11 PRO CG 1 1 18 15631 1 1 11 PRO HA H -5.848 -8.527 6.655 1.00 . A A . 11 PRO HA 1 1 18 15632 1 1 11 PRO HB2 H -6.930 -6.189 5.648 1.00 . A A . 11 PRO HB2 1 1 18 15633 1 1 11 PRO HB3 H -5.379 -6.295 6.485 1.00 . A A . 11 PRO HB3 1 1 18 15634 1 1 11 PRO HD2 H -4.888 -7.776 2.786 1.00 . A A . 11 PRO HD2 1 1 18 15635 1 1 11 PRO HD3 H -3.538 -7.494 3.880 1.00 . A A . 11 PRO HD3 1 1 18 15636 1 1 11 PRO HG2 H -5.933 -5.919 3.610 1.00 . A A . 11 PRO HG2 1 1 18 15637 1 1 11 PRO HG3 H -4.470 -5.565 4.534 1.00 . A A . 11 PRO HG3 1 1 18 15638 1 1 11 PRO N N -5.097 -8.627 4.710 1.00 . A A . 11 PRO N 1 1 18 15639 1 1 11 PRO O O -8.121 -9.343 6.016 1.00 . A A . 11 PRO O 1 1 18 15640 1 1 12 CYS C C -10.392 -8.046 4.508 1.00 . A A . 12 CYS C 1 1 18 15641 1 1 12 CYS CA C -9.255 -8.452 3.553 1.00 . A A . 12 CYS CA 1 1 18 15642 1 1 12 CYS CB C -9.371 -9.916 3.113 1.00 . A A . 12 CYS CB 1 1 18 15643 1 1 12 CYS H H -7.323 -7.598 3.572 1.00 . A A . 12 CYS H 1 1 18 15644 1 1 12 CYS HA H -9.322 -7.816 2.676 1.00 . A A . 12 CYS HA 1 1 18 15645 1 1 12 CYS HB2 H -9.198 -10.548 3.973 1.00 . A A . 12 CYS HB2 1 1 18 15646 1 1 12 CYS HB3 H -10.366 -10.095 2.730 1.00 . A A . 12 CYS HB3 1 1 18 15647 1 1 12 CYS HG H -8.397 -11.682 1.595 1.00 . A A . 12 CYS HG 1 1 18 15648 1 1 12 CYS N N -7.931 -8.152 4.098 1.00 . A A . 12 CYS N 1 1 18 15649 1 1 12 CYS O O -10.747 -8.770 5.445 1.00 . A A . 12 CYS O 1 1 18 15650 1 1 12 CYS SG S -8.176 -10.395 1.830 1.00 . A A . 12 CYS SG 1 1 18 15651 1 1 13 LYS C C -12.818 -5.436 4.095 1.00 . A A . 13 LYS C 1 1 18 15652 1 1 13 LYS CA C -11.998 -6.278 5.023 1.00 . A A . 13 LYS CA 1 1 18 15653 1 1 13 LYS CB C -11.392 -5.376 6.131 1.00 . A A . 13 LYS CB 1 1 18 15654 1 1 13 LYS CD C -10.160 -5.145 8.269 1.00 . A A . 13 LYS CD 1 1 18 15655 1 1 13 LYS CE C -9.599 -5.904 9.439 1.00 . A A . 13 LYS CE 1 1 18 15656 1 1 13 LYS CG C -10.652 -6.105 7.214 1.00 . A A . 13 LYS CG 1 1 18 15657 1 1 13 LYS H H -10.745 -6.507 3.357 1.00 . A A . 13 LYS H 1 1 18 15658 1 1 13 LYS HA H -12.615 -7.043 5.467 1.00 . A A . 13 LYS HA 1 1 18 15659 1 1 13 LYS HB2 H -10.696 -4.673 5.700 1.00 . A A . 13 LYS HB2 1 1 18 15660 1 1 13 LYS HB3 H -12.186 -4.827 6.618 1.00 . A A . 13 LYS HB3 1 1 18 15661 1 1 13 LYS HD2 H -9.385 -4.522 7.845 1.00 . A A . 13 LYS HD2 1 1 18 15662 1 1 13 LYS HD3 H -10.991 -4.539 8.599 1.00 . A A . 13 LYS HD3 1 1 18 15663 1 1 13 LYS HE2 H -10.435 -6.486 9.788 1.00 . A A . 13 LYS HE2 1 1 18 15664 1 1 13 LYS HE3 H -8.807 -6.558 9.109 1.00 . A A . 13 LYS HE3 1 1 18 15665 1 1 13 LYS HG2 H -11.316 -6.825 7.667 1.00 . A A . 13 LYS HG2 1 1 18 15666 1 1 13 LYS HG3 H -9.807 -6.619 6.779 1.00 . A A . 13 LYS HG3 1 1 18 15667 1 1 13 LYS HZ1 H -8.732 -5.575 11.310 1.00 . A A . 13 LYS HZ1 1 1 18 15668 1 1 13 LYS HZ2 H -9.895 -4.434 10.907 1.00 . A A . 13 LYS HZ2 1 1 18 15669 1 1 13 LYS HZ3 H -8.360 -4.408 10.198 1.00 . A A . 13 LYS HZ3 1 1 18 15670 1 1 13 LYS N N -10.963 -6.908 4.222 1.00 . A A . 13 LYS N 1 1 18 15671 1 1 13 LYS NZ N -9.131 -5.022 10.522 1.00 . A A . 13 LYS NZ 1 1 18 15672 1 1 13 LYS O O -12.712 -5.591 2.860 1.00 . A A . 13 LYS O 1 1 18 15673 1 1 14 ASP C C -13.466 -2.749 3.094 1.00 . A A . 14 ASP C 1 1 18 15674 1 1 14 ASP CA C -14.400 -3.652 3.841 1.00 . A A . 14 ASP CA 1 1 18 15675 1 1 14 ASP CB C -15.410 -2.836 4.646 1.00 . A A . 14 ASP CB 1 1 18 15676 1 1 14 ASP CG C -16.537 -3.674 5.170 1.00 . A A . 14 ASP CG 1 1 18 15677 1 1 14 ASP H H -13.761 -4.640 5.623 1.00 . A A . 14 ASP H 1 1 18 15678 1 1 14 ASP HA H -14.933 -4.242 3.109 1.00 . A A . 14 ASP HA 1 1 18 15679 1 1 14 ASP HB2 H -14.904 -2.385 5.487 1.00 . A A . 14 ASP HB2 1 1 18 15680 1 1 14 ASP HB3 H -15.813 -2.063 4.011 1.00 . A A . 14 ASP HB3 1 1 18 15681 1 1 14 ASP N N -13.650 -4.588 4.648 1.00 . A A . 14 ASP N 1 1 18 15682 1 1 14 ASP O O -13.340 -2.864 1.909 1.00 . A A . 14 ASP O 1 1 18 15683 1 1 14 ASP OD1 O -17.409 -4.068 4.376 1.00 . A A . 14 ASP OD1 1 1 18 15684 1 1 14 ASP OD2 O -16.575 -3.941 6.381 1.00 . A A . 14 ASP OD2 1 1 18 15685 1 1 15 LYS C C -10.460 -1.091 3.751 1.00 . A A . 15 LYS C 1 1 18 15686 1 1 15 LYS CA C -11.862 -0.972 3.160 1.00 . A A . 15 LYS CA 1 1 18 15687 1 1 15 LYS CB C -12.420 0.461 3.199 1.00 . A A . 15 LYS CB 1 1 18 15688 1 1 15 LYS CD C -14.304 2.030 2.431 1.00 . A A . 15 LYS CD 1 1 18 15689 1 1 15 LYS CE C -15.121 2.088 3.713 1.00 . A A . 15 LYS CE 1 1 18 15690 1 1 15 LYS CG C -13.624 0.670 2.250 1.00 . A A . 15 LYS CG 1 1 18 15691 1 1 15 LYS H H -12.871 -1.863 4.770 1.00 . A A . 15 LYS H 1 1 18 15692 1 1 15 LYS HA H -11.792 -1.290 2.128 1.00 . A A . 15 LYS HA 1 1 18 15693 1 1 15 LYS HB2 H -12.729 0.681 4.208 1.00 . A A . 15 LYS HB2 1 1 18 15694 1 1 15 LYS HB3 H -11.640 1.152 2.915 1.00 . A A . 15 LYS HB3 1 1 18 15695 1 1 15 LYS HD2 H -13.550 2.802 2.465 1.00 . A A . 15 LYS HD2 1 1 18 15696 1 1 15 LYS HD3 H -14.957 2.213 1.589 1.00 . A A . 15 LYS HD3 1 1 18 15697 1 1 15 LYS HE2 H -14.484 1.627 4.447 1.00 . A A . 15 LYS HE2 1 1 18 15698 1 1 15 LYS HE3 H -15.347 3.107 3.991 1.00 . A A . 15 LYS HE3 1 1 18 15699 1 1 15 LYS HG2 H -13.259 0.594 1.238 1.00 . A A . 15 LYS HG2 1 1 18 15700 1 1 15 LYS HG3 H -14.332 -0.123 2.439 1.00 . A A . 15 LYS HG3 1 1 18 15701 1 1 15 LYS HZ1 H -16.841 1.284 4.579 1.00 . A A . 15 LYS HZ1 1 1 18 15702 1 1 15 LYS HZ2 H -16.196 0.266 3.416 1.00 . A A . 15 LYS HZ2 1 1 18 15703 1 1 15 LYS HZ3 H -17.067 1.640 2.981 1.00 . A A . 15 LYS HZ3 1 1 18 15704 1 1 15 LYS N N -12.780 -1.891 3.794 1.00 . A A . 15 LYS N 1 1 18 15705 1 1 15 LYS NZ N -16.368 1.263 3.654 1.00 . A A . 15 LYS NZ 1 1 18 15706 1 1 15 LYS O O -10.301 -1.186 4.977 1.00 . A A . 15 LYS O 1 1 18 15707 1 1 16 VAL C C -7.180 -0.386 2.370 1.00 . A A . 16 VAL C 1 1 18 15708 1 1 16 VAL CA C -8.040 -1.292 3.236 1.00 . A A . 16 VAL CA 1 1 18 15709 1 1 16 VAL CB C -7.570 -2.805 3.120 1.00 . A A . 16 VAL CB 1 1 18 15710 1 1 16 VAL CG1 C -8.274 -3.688 4.142 1.00 . A A . 16 VAL CG1 1 1 18 15711 1 1 16 VAL CG2 C -7.802 -3.368 1.721 1.00 . A A . 16 VAL CG2 1 1 18 15712 1 1 16 VAL H H -9.631 -0.899 1.925 1.00 . A A . 16 VAL H 1 1 18 15713 1 1 16 VAL HA H -7.940 -0.960 4.262 1.00 . A A . 16 VAL HA 1 1 18 15714 1 1 16 VAL HB H -6.510 -2.852 3.337 1.00 . A A . 16 VAL HB 1 1 18 15715 1 1 16 VAL HG11 H -9.341 -3.675 3.972 1.00 . A A . 16 VAL HG11 1 1 18 15716 1 1 16 VAL HG12 H -8.051 -3.324 5.135 1.00 . A A . 16 VAL HG12 1 1 18 15717 1 1 16 VAL HG13 H -7.894 -4.695 4.036 1.00 . A A . 16 VAL HG13 1 1 18 15718 1 1 16 VAL HG21 H -7.601 -4.432 1.716 1.00 . A A . 16 VAL HG21 1 1 18 15719 1 1 16 VAL HG22 H -7.149 -2.856 1.027 1.00 . A A . 16 VAL HG22 1 1 18 15720 1 1 16 VAL HG23 H -8.837 -3.204 1.452 1.00 . A A . 16 VAL HG23 1 1 18 15721 1 1 16 VAL N N -9.451 -1.094 2.870 1.00 . A A . 16 VAL N 1 1 18 15722 1 1 16 VAL O O -7.551 -0.104 1.233 1.00 . A A . 16 VAL O 1 1 18 15723 1 1 17 ASP C C -4.098 0.561 1.434 1.00 . A A . 17 ASP C 1 1 18 15724 1 1 17 ASP CA C -5.233 1.109 2.291 1.00 . A A . 17 ASP CA 1 1 18 15725 1 1 17 ASP CB C -4.610 1.982 3.396 1.00 . A A . 17 ASP CB 1 1 18 15726 1 1 17 ASP CG C -5.545 2.243 4.547 1.00 . A A . 17 ASP CG 1 1 18 15727 1 1 17 ASP H H -5.728 -0.373 3.729 1.00 . A A . 17 ASP H 1 1 18 15728 1 1 17 ASP HA H -5.879 1.735 1.693 1.00 . A A . 17 ASP HA 1 1 18 15729 1 1 17 ASP HB2 H -3.745 1.473 3.790 1.00 . A A . 17 ASP HB2 1 1 18 15730 1 1 17 ASP HB3 H -4.317 2.932 2.969 1.00 . A A . 17 ASP HB3 1 1 18 15731 1 1 17 ASP N N -6.044 0.033 2.900 1.00 . A A . 17 ASP N 1 1 18 15732 1 1 17 ASP O O -3.534 -0.520 1.732 1.00 . A A . 17 ASP O 1 1 18 15733 1 1 17 ASP OD1 O -6.540 2.972 4.383 1.00 . A A . 17 ASP OD1 1 1 18 15734 1 1 17 ASP OD2 O -5.280 1.679 5.651 1.00 . A A . 17 ASP OD2 1 1 18 15735 1 1 18 TRP C C -1.789 2.131 -0.790 1.00 . A A . 18 TRP C 1 1 18 15736 1 1 18 TRP CA C -2.700 0.926 -0.541 1.00 . A A . 18 TRP CA 1 1 18 15737 1 1 18 TRP CB C -3.314 0.537 -1.866 1.00 . A A . 18 TRP CB 1 1 18 15738 1 1 18 TRP CD1 C -5.564 -0.512 -1.239 1.00 . A A . 18 TRP CD1 1 1 18 15739 1 1 18 TRP CD2 C -4.281 -1.818 -2.476 1.00 . A A . 18 TRP CD2 1 1 18 15740 1 1 18 TRP CE2 C -5.456 -2.499 -2.185 1.00 . A A . 18 TRP CE2 1 1 18 15741 1 1 18 TRP CE3 C -3.339 -2.425 -3.255 1.00 . A A . 18 TRP CE3 1 1 18 15742 1 1 18 TRP CG C -4.346 -0.563 -1.827 1.00 . A A . 18 TRP CG 1 1 18 15743 1 1 18 TRP CH2 C -4.746 -4.347 -3.443 1.00 . A A . 18 TRP CH2 1 1 18 15744 1 1 18 TRP CZ2 C -5.710 -3.773 -2.659 1.00 . A A . 18 TRP CZ2 1 1 18 15745 1 1 18 TRP CZ3 C -3.568 -3.680 -3.742 1.00 . A A . 18 TRP CZ3 1 1 18 15746 1 1 18 TRP H H -4.277 2.115 0.141 1.00 . A A . 18 TRP H 1 1 18 15747 1 1 18 TRP HA H -2.141 0.087 -0.153 1.00 . A A . 18 TRP HA 1 1 18 15748 1 1 18 TRP HB2 H -3.832 1.426 -2.186 1.00 . A A . 18 TRP HB2 1 1 18 15749 1 1 18 TRP HB3 H -2.567 0.304 -2.607 1.00 . A A . 18 TRP HB3 1 1 18 15750 1 1 18 TRP HD1 H -5.907 0.349 -0.684 1.00 . A A . 18 TRP HD1 1 1 18 15751 1 1 18 TRP HE1 H -7.105 -1.936 -1.068 1.00 . A A . 18 TRP HE1 1 1 18 15752 1 1 18 TRP HE3 H -2.446 -1.881 -3.468 1.00 . A A . 18 TRP HE3 1 1 18 15753 1 1 18 TRP HH2 H -4.861 -5.319 -3.883 1.00 . A A . 18 TRP HH2 1 1 18 15754 1 1 18 TRP HZ2 H -6.627 -4.291 -2.417 1.00 . A A . 18 TRP HZ2 1 1 18 15755 1 1 18 TRP HZ3 H -2.825 -4.164 -4.367 1.00 . A A . 18 TRP HZ3 1 1 18 15756 1 1 18 TRP N N -3.757 1.301 0.362 1.00 . A A . 18 TRP N 1 1 18 15757 1 1 18 TRP NE1 N -6.215 -1.687 -1.409 1.00 . A A . 18 TRP NE1 1 1 18 15758 1 1 18 TRP O O -2.211 3.283 -0.592 1.00 . A A . 18 TRP O 1 1 18 15759 1 1 19 VAL C C 1.124 2.503 -2.812 1.00 . A A . 19 VAL C 1 1 18 15760 1 1 19 VAL CA C 0.403 2.933 -1.565 1.00 . A A . 19 VAL CA 1 1 18 15761 1 1 19 VAL CB C 1.531 3.066 -0.524 1.00 . A A . 19 VAL CB 1 1 18 15762 1 1 19 VAL CG1 C 2.237 4.404 -0.589 1.00 . A A . 19 VAL CG1 1 1 18 15763 1 1 19 VAL CG2 C 1.154 2.653 0.852 1.00 . A A . 19 VAL CG2 1 1 18 15764 1 1 19 VAL H H -0.213 0.962 -1.369 1.00 . A A . 19 VAL H 1 1 18 15765 1 1 19 VAL HA H -0.094 3.884 -1.689 1.00 . A A . 19 VAL HA 1 1 18 15766 1 1 19 VAL HB H 2.281 2.386 -0.880 1.00 . A A . 19 VAL HB 1 1 18 15767 1 1 19 VAL HG11 H 3.018 4.463 0.155 1.00 . A A . 19 VAL HG11 1 1 18 15768 1 1 19 VAL HG12 H 1.503 5.178 -0.419 1.00 . A A . 19 VAL HG12 1 1 18 15769 1 1 19 VAL HG13 H 2.657 4.537 -1.576 1.00 . A A . 19 VAL HG13 1 1 18 15770 1 1 19 VAL HG21 H 0.315 3.242 1.181 1.00 . A A . 19 VAL HG21 1 1 18 15771 1 1 19 VAL HG22 H 2.006 2.797 1.498 1.00 . A A . 19 VAL HG22 1 1 18 15772 1 1 19 VAL HG23 H 0.924 1.594 0.820 1.00 . A A . 19 VAL HG23 1 1 18 15773 1 1 19 VAL N N -0.555 1.874 -1.231 1.00 . A A . 19 VAL N 1 1 18 15774 1 1 19 VAL O O 1.343 1.314 -3.002 1.00 . A A . 19 VAL O 1 1 18 15775 1 1 20 GLN C C 3.604 3.811 -4.603 1.00 . A A . 20 GLN C 1 1 18 15776 1 1 20 GLN CA C 2.283 3.126 -4.777 1.00 . A A . 20 GLN CA 1 1 18 15777 1 1 20 GLN CB C 1.652 3.614 -6.053 1.00 . A A . 20 GLN CB 1 1 18 15778 1 1 20 GLN CD C 1.110 3.066 -8.470 1.00 . A A . 20 GLN CD 1 1 18 15779 1 1 20 GLN CG C 1.669 2.568 -7.160 1.00 . A A . 20 GLN CG 1 1 18 15780 1 1 20 GLN H H 1.113 4.328 -3.482 1.00 . A A . 20 GLN H 1 1 18 15781 1 1 20 GLN HA H 2.424 2.057 -4.828 1.00 . A A . 20 GLN HA 1 1 18 15782 1 1 20 GLN HB2 H 0.647 3.937 -5.829 1.00 . A A . 20 GLN HB2 1 1 18 15783 1 1 20 GLN HB3 H 2.202 4.479 -6.394 1.00 . A A . 20 GLN HB3 1 1 18 15784 1 1 20 GLN HE21 H 2.160 1.715 -9.465 1.00 . A A . 20 GLN HE21 1 1 18 15785 1 1 20 GLN HE22 H 1.132 2.730 -10.414 1.00 . A A . 20 GLN HE22 1 1 18 15786 1 1 20 GLN HG2 H 2.690 2.270 -7.343 1.00 . A A . 20 GLN HG2 1 1 18 15787 1 1 20 GLN HG3 H 1.089 1.715 -6.832 1.00 . A A . 20 GLN HG3 1 1 18 15788 1 1 20 GLN N N 1.466 3.427 -3.646 1.00 . A A . 20 GLN N 1 1 18 15789 1 1 20 GLN NE2 N 1.515 2.454 -9.554 1.00 . A A . 20 GLN NE2 1 1 18 15790 1 1 20 GLN O O 3.642 4.976 -4.215 1.00 . A A . 20 GLN O 1 1 18 15791 1 1 20 GLN OE1 O 0.284 3.966 -8.504 1.00 . A A . 20 GLN OE1 1 1 18 15792 1 1 21 CYS C C 6.288 4.590 -5.993 1.00 . A A . 21 CYS C 1 1 18 15793 1 1 21 CYS CA C 5.999 3.699 -4.791 1.00 . A A . 21 CYS CA 1 1 18 15794 1 1 21 CYS CB C 7.067 2.624 -4.633 1.00 . A A . 21 CYS CB 1 1 18 15795 1 1 21 CYS H H 4.624 2.156 -5.119 1.00 . A A . 21 CYS H 1 1 18 15796 1 1 21 CYS HA H 6.014 4.324 -3.911 1.00 . A A . 21 CYS HA 1 1 18 15797 1 1 21 CYS HB2 H 7.933 3.014 -5.145 1.00 . A A . 21 CYS HB2 1 1 18 15798 1 1 21 CYS HB3 H 7.253 2.332 -3.612 1.00 . A A . 21 CYS HB3 1 1 18 15799 1 1 21 CYS N N 4.680 3.103 -4.860 1.00 . A A . 21 CYS N 1 1 18 15800 1 1 21 CYS O O 5.914 4.264 -7.119 1.00 . A A . 21 CYS O 1 1 18 15801 1 1 21 CYS SG S 6.816 1.180 -5.613 1.00 . A A . 21 CYS SG 1 1 18 15802 1 1 22 ASP C C 8.679 6.357 -7.364 1.00 . A A . 22 ASP C 1 1 18 15803 1 1 22 ASP CA C 7.324 6.676 -6.770 1.00 . A A . 22 ASP CA 1 1 18 15804 1 1 22 ASP CB C 7.366 8.082 -6.181 1.00 . A A . 22 ASP CB 1 1 18 15805 1 1 22 ASP CG C 6.060 8.520 -5.585 1.00 . A A . 22 ASP CG 1 1 18 15806 1 1 22 ASP H H 7.289 5.882 -4.823 1.00 . A A . 22 ASP H 1 1 18 15807 1 1 22 ASP HA H 6.563 6.637 -7.535 1.00 . A A . 22 ASP HA 1 1 18 15808 1 1 22 ASP HB2 H 8.123 8.127 -5.410 1.00 . A A . 22 ASP HB2 1 1 18 15809 1 1 22 ASP HB3 H 7.623 8.766 -6.975 1.00 . A A . 22 ASP HB3 1 1 18 15810 1 1 22 ASP N N 6.983 5.694 -5.740 1.00 . A A . 22 ASP N 1 1 18 15811 1 1 22 ASP O O 9.370 7.228 -7.888 1.00 . A A . 22 ASP O 1 1 18 15812 1 1 22 ASP OD1 O 5.193 9.050 -6.346 1.00 . A A . 22 ASP OD1 1 1 18 15813 1 1 22 ASP OD2 O 5.890 8.350 -4.358 1.00 . A A . 22 ASP OD2 1 1 18 15814 1 1 23 GLY C C 10.042 4.096 -9.228 1.00 . A A . 23 GLY C 1 1 18 15815 1 1 23 GLY CA C 10.281 4.686 -7.873 1.00 . A A . 23 GLY CA 1 1 18 15816 1 1 23 GLY H H 8.426 4.422 -6.998 1.00 . A A . 23 GLY H 1 1 18 15817 1 1 23 GLY HA2 H 10.927 5.546 -7.962 1.00 . A A . 23 GLY HA2 1 1 18 15818 1 1 23 GLY HA3 H 10.722 3.939 -7.229 1.00 . A A . 23 GLY HA3 1 1 18 15819 1 1 23 GLY N N 9.040 5.103 -7.327 1.00 . A A . 23 GLY N 1 1 18 15820 1 1 23 GLY O O 9.117 4.503 -9.918 1.00 . A A . 23 GLY O 1 1 18 15821 1 1 24 GLY C C 9.849 1.245 -10.910 1.00 . A A . 24 GLY C 1 1 18 15822 1 1 24 GLY CA C 10.598 2.565 -10.927 1.00 . A A . 24 GLY CA 1 1 18 15823 1 1 24 GLY H H 11.571 2.693 -9.176 1.00 . A A . 24 GLY H 1 1 18 15824 1 1 24 GLY HA2 H 10.049 3.275 -11.528 1.00 . A A . 24 GLY HA2 1 1 18 15825 1 1 24 GLY HA3 H 11.562 2.418 -11.386 1.00 . A A . 24 GLY HA3 1 1 18 15826 1 1 24 GLY N N 10.815 3.124 -9.623 1.00 . A A . 24 GLY N 1 1 18 15827 1 1 24 GLY O O 9.559 0.698 -11.972 1.00 . A A . 24 GLY O 1 1 18 15828 1 1 25 CYS C C 7.282 -0.325 -9.752 1.00 . A A . 25 CYS C 1 1 18 15829 1 1 25 CYS CA C 8.804 -0.570 -9.765 1.00 . A A . 25 CYS CA 1 1 18 15830 1 1 25 CYS CB C 9.296 -1.642 -8.717 1.00 . A A . 25 CYS CB 1 1 18 15831 1 1 25 CYS H H 9.843 1.123 -8.898 1.00 . A A . 25 CYS H 1 1 18 15832 1 1 25 CYS HA H 9.012 -0.935 -10.764 1.00 . A A . 25 CYS HA 1 1 18 15833 1 1 25 CYS HB2 H 9.250 -2.617 -9.176 1.00 . A A . 25 CYS HB2 1 1 18 15834 1 1 25 CYS HB3 H 10.335 -1.449 -8.494 1.00 . A A . 25 CYS HB3 1 1 18 15835 1 1 25 CYS N N 9.543 0.694 -9.732 1.00 . A A . 25 CYS N 1 1 18 15836 1 1 25 CYS O O 6.513 -1.213 -10.071 1.00 . A A . 25 CYS O 1 1 18 15837 1 1 25 CYS SG S 8.407 -1.798 -7.128 1.00 . A A . 25 CYS SG 1 1 18 15838 1 1 26 ASP C C 4.433 0.433 -8.835 1.00 . A A . 26 ASP C 1 1 18 15839 1 1 26 ASP CA C 5.443 1.419 -9.427 1.00 . A A . 26 ASP CA 1 1 18 15840 1 1 26 ASP CB C 4.958 1.757 -10.860 1.00 . A A . 26 ASP CB 1 1 18 15841 1 1 26 ASP CG C 5.619 2.941 -11.490 1.00 . A A . 26 ASP CG 1 1 18 15842 1 1 26 ASP H H 7.580 1.614 -9.288 1.00 . A A . 26 ASP H 1 1 18 15843 1 1 26 ASP HA H 5.399 2.331 -8.849 1.00 . A A . 26 ASP HA 1 1 18 15844 1 1 26 ASP HB2 H 5.164 0.911 -11.503 1.00 . A A . 26 ASP HB2 1 1 18 15845 1 1 26 ASP HB3 H 3.891 1.924 -10.840 1.00 . A A . 26 ASP HB3 1 1 18 15846 1 1 26 ASP N N 6.883 0.941 -9.439 1.00 . A A . 26 ASP N 1 1 18 15847 1 1 26 ASP O O 3.307 0.339 -9.351 1.00 . A A . 26 ASP O 1 1 18 15848 1 1 26 ASP OD1 O 5.294 4.076 -11.108 1.00 . A A . 26 ASP OD1 1 1 18 15849 1 1 26 ASP OD2 O 6.441 2.751 -12.419 1.00 . A A . 26 ASP OD2 1 1 18 15850 1 1 27 GLU C C 2.984 -0.754 -6.081 1.00 . A A . 27 GLU C 1 1 18 15851 1 1 27 GLU CA C 3.778 -1.194 -7.284 1.00 . A A . 27 GLU CA 1 1 18 15852 1 1 27 GLU CB C 4.286 -2.625 -7.199 1.00 . A A . 27 GLU CB 1 1 18 15853 1 1 27 GLU CD C 4.701 -4.759 -8.535 1.00 . A A . 27 GLU CD 1 1 18 15854 1 1 27 GLU CG C 4.469 -3.261 -8.572 1.00 . A A . 27 GLU CG 1 1 18 15855 1 1 27 GLU H H 5.567 -0.069 -7.262 1.00 . A A . 27 GLU H 1 1 18 15856 1 1 27 GLU HA H 3.039 -1.170 -8.074 1.00 . A A . 27 GLU HA 1 1 18 15857 1 1 27 GLU HB2 H 5.229 -2.620 -6.671 1.00 . A A . 27 GLU HB2 1 1 18 15858 1 1 27 GLU HB3 H 3.565 -3.179 -6.631 1.00 . A A . 27 GLU HB3 1 1 18 15859 1 1 27 GLU HG2 H 3.580 -3.065 -9.154 1.00 . A A . 27 GLU HG2 1 1 18 15860 1 1 27 GLU HG3 H 5.307 -2.785 -9.059 1.00 . A A . 27 GLU HG3 1 1 18 15861 1 1 27 GLU N N 4.740 -0.240 -7.761 1.00 . A A . 27 GLU N 1 1 18 15862 1 1 27 GLU O O 3.387 0.171 -5.354 1.00 . A A . 27 GLU O 1 1 18 15863 1 1 27 GLU OE1 O 3.705 -5.512 -8.518 1.00 . A A . 27 GLU OE1 1 1 18 15864 1 1 27 GLU OE2 O 5.860 -5.200 -8.577 1.00 . A A . 27 GLU OE2 1 1 18 15865 1 1 28 TRP C C 1.080 -2.047 -3.654 1.00 . A A . 28 TRP C 1 1 18 15866 1 1 28 TRP CA C 0.898 -1.104 -4.839 1.00 . A A . 28 TRP CA 1 1 18 15867 1 1 28 TRP CB C -0.544 -1.227 -5.310 1.00 . A A . 28 TRP CB 1 1 18 15868 1 1 28 TRP CD1 C -1.188 -0.342 -7.635 1.00 . A A . 28 TRP CD1 1 1 18 15869 1 1 28 TRP CD2 C -1.458 1.106 -5.966 1.00 . A A . 28 TRP CD2 1 1 18 15870 1 1 28 TRP CE2 C -1.853 1.723 -7.157 1.00 . A A . 28 TRP CE2 1 1 18 15871 1 1 28 TRP CE3 C -1.547 1.818 -4.777 1.00 . A A . 28 TRP CE3 1 1 18 15872 1 1 28 TRP CG C -1.026 -0.207 -6.288 1.00 . A A . 28 TRP CG 1 1 18 15873 1 1 28 TRP CH2 C -2.400 3.694 -6.017 1.00 . A A . 28 TRP CH2 1 1 18 15874 1 1 28 TRP CZ2 C -2.320 3.022 -7.196 1.00 . A A . 28 TRP CZ2 1 1 18 15875 1 1 28 TRP CZ3 C -2.009 3.101 -4.812 1.00 . A A . 28 TRP CZ3 1 1 18 15876 1 1 28 TRP H H 1.582 -2.139 -6.497 1.00 . A A . 28 TRP H 1 1 18 15877 1 1 28 TRP HA H 1.059 -0.088 -4.512 1.00 . A A . 28 TRP HA 1 1 18 15878 1 1 28 TRP HB2 H -0.697 -2.202 -5.745 1.00 . A A . 28 TRP HB2 1 1 18 15879 1 1 28 TRP HB3 H -1.141 -1.136 -4.421 1.00 . A A . 28 TRP HB3 1 1 18 15880 1 1 28 TRP HD1 H -0.977 -1.223 -8.218 1.00 . A A . 28 TRP HD1 1 1 18 15881 1 1 28 TRP HE1 H -1.880 0.981 -9.109 1.00 . A A . 28 TRP HE1 1 1 18 15882 1 1 28 TRP HE3 H -1.250 1.366 -3.843 1.00 . A A . 28 TRP HE3 1 1 18 15883 1 1 28 TRP HH2 H -2.760 4.712 -5.991 1.00 . A A . 28 TRP HH2 1 1 18 15884 1 1 28 TRP HZ2 H -2.627 3.479 -8.122 1.00 . A A . 28 TRP HZ2 1 1 18 15885 1 1 28 TRP HZ3 H -2.097 3.649 -3.887 1.00 . A A . 28 TRP HZ3 1 1 18 15886 1 1 28 TRP N N 1.829 -1.401 -5.905 1.00 . A A . 28 TRP N 1 1 18 15887 1 1 28 TRP NE1 N -1.684 0.820 -8.161 1.00 . A A . 28 TRP NE1 1 1 18 15888 1 1 28 TRP O O 1.043 -3.277 -3.809 1.00 . A A . 28 TRP O 1 1 18 15889 1 1 29 PHE C C 0.356 -1.800 -0.281 1.00 . A A . 29 PHE C 1 1 18 15890 1 1 29 PHE CA C 1.434 -2.212 -1.249 1.00 . A A . 29 PHE CA 1 1 18 15891 1 1 29 PHE CB C 2.722 -1.804 -0.573 1.00 . A A . 29 PHE CB 1 1 18 15892 1 1 29 PHE CD1 C 4.563 -2.456 -2.084 1.00 . A A . 29 PHE CD1 1 1 18 15893 1 1 29 PHE CD2 C 4.111 -0.155 -1.735 1.00 . A A . 29 PHE CD2 1 1 18 15894 1 1 29 PHE CE1 C 5.576 -2.142 -2.930 1.00 . A A . 29 PHE CE1 1 1 18 15895 1 1 29 PHE CE2 C 5.115 0.167 -2.576 1.00 . A A . 29 PHE CE2 1 1 18 15896 1 1 29 PHE CG C 3.822 -1.474 -1.480 1.00 . A A . 29 PHE CG 1 1 18 15897 1 1 29 PHE CZ C 5.851 -0.827 -3.183 1.00 . A A . 29 PHE CZ 1 1 18 15898 1 1 29 PHE H H 1.330 -0.487 -2.510 1.00 . A A . 29 PHE H 1 1 18 15899 1 1 29 PHE HA H 1.445 -3.274 -1.431 1.00 . A A . 29 PHE HA 1 1 18 15900 1 1 29 PHE HB2 H 2.517 -0.923 0.014 1.00 . A A . 29 PHE HB2 1 1 18 15901 1 1 29 PHE HB3 H 3.035 -2.596 0.090 1.00 . A A . 29 PHE HB3 1 1 18 15902 1 1 29 PHE HD1 H 4.336 -3.493 -1.881 1.00 . A A . 29 PHE HD1 1 1 18 15903 1 1 29 PHE HD2 H 3.534 0.631 -1.262 1.00 . A A . 29 PHE HD2 1 1 18 15904 1 1 29 PHE HE1 H 6.155 -2.929 -3.398 1.00 . A A . 29 PHE HE1 1 1 18 15905 1 1 29 PHE HE2 H 5.324 1.207 -2.755 1.00 . A A . 29 PHE HE2 1 1 18 15906 1 1 29 PHE HZ H 6.650 -0.570 -3.859 1.00 . A A . 29 PHE HZ 1 1 18 15907 1 1 29 PHE N N 1.260 -1.468 -2.493 1.00 . A A . 29 PHE N 1 1 18 15908 1 1 29 PHE O O -0.373 -0.868 -0.538 1.00 . A A . 29 PHE O 1 1 18 15909 1 1 30 HIS C C 0.372 -1.240 2.801 1.00 . A A . 30 HIS C 1 1 18 15910 1 1 30 HIS CA C -0.566 -2.032 1.916 1.00 . A A . 30 HIS CA 1 1 18 15911 1 1 30 HIS CB C -1.141 -3.177 2.738 1.00 . A A . 30 HIS CB 1 1 18 15912 1 1 30 HIS CD2 C -3.406 -4.165 1.957 1.00 . A A . 30 HIS CD2 1 1 18 15913 1 1 30 HIS CE1 C -2.654 -6.082 1.162 1.00 . A A . 30 HIS CE1 1 1 18 15914 1 1 30 HIS CG C -2.054 -4.132 2.040 1.00 . A A . 30 HIS CG 1 1 18 15915 1 1 30 HIS H H 0.847 -3.288 0.899 1.00 . A A . 30 HIS H 1 1 18 15916 1 1 30 HIS HA H -1.343 -1.395 1.515 1.00 . A A . 30 HIS HA 1 1 18 15917 1 1 30 HIS HB2 H -0.314 -3.772 3.099 1.00 . A A . 30 HIS HB2 1 1 18 15918 1 1 30 HIS HB3 H -1.672 -2.762 3.584 1.00 . A A . 30 HIS HB3 1 1 18 15919 1 1 30 HIS HD2 H -4.076 -3.373 2.261 1.00 . A A . 30 HIS HD2 1 1 18 15920 1 1 30 HIS HE1 H -2.611 -7.130 0.876 1.00 . A A . 30 HIS HE1 1 1 18 15921 1 1 30 HIS HE2 H -4.587 -5.555 0.911 1.00 . A A . 30 HIS HE2 1 1 18 15922 1 1 30 HIS N N 0.268 -2.496 0.831 1.00 . A A . 30 HIS N 1 1 18 15923 1 1 30 HIS ND1 N -1.618 -5.331 1.512 1.00 . A A . 30 HIS ND1 1 1 18 15924 1 1 30 HIS NE2 N -3.756 -5.390 1.407 1.00 . A A . 30 HIS NE2 1 1 18 15925 1 1 30 HIS O O 1.536 -1.614 2.913 1.00 . A A . 30 HIS O 1 1 18 15926 1 1 31 GLN C C 1.449 -0.129 5.350 1.00 . A A . 31 GLN C 1 1 18 15927 1 1 31 GLN CA C 0.785 0.658 4.220 1.00 . A A . 31 GLN CA 1 1 18 15928 1 1 31 GLN CB C 0.044 1.887 4.745 1.00 . A A . 31 GLN CB 1 1 18 15929 1 1 31 GLN CD C -0.720 4.086 3.711 1.00 . A A . 31 GLN CD 1 1 18 15930 1 1 31 GLN CG C -0.752 2.576 3.652 1.00 . A A . 31 GLN CG 1 1 18 15931 1 1 31 GLN H H -1.031 0.081 3.331 1.00 . A A . 31 GLN H 1 1 18 15932 1 1 31 GLN HA H 1.569 0.986 3.556 1.00 . A A . 31 GLN HA 1 1 18 15933 1 1 31 GLN HB2 H -0.636 1.575 5.521 1.00 . A A . 31 GLN HB2 1 1 18 15934 1 1 31 GLN HB3 H 0.748 2.597 5.152 1.00 . A A . 31 GLN HB3 1 1 18 15935 1 1 31 GLN HE21 H -0.986 4.135 1.753 1.00 . A A . 31 GLN HE21 1 1 18 15936 1 1 31 GLN HE22 H -0.811 5.670 2.491 1.00 . A A . 31 GLN HE22 1 1 18 15937 1 1 31 GLN HG2 H -0.319 2.263 2.716 1.00 . A A . 31 GLN HG2 1 1 18 15938 1 1 31 GLN HG3 H -1.776 2.241 3.696 1.00 . A A . 31 GLN HG3 1 1 18 15939 1 1 31 GLN N N -0.094 -0.183 3.419 1.00 . A A . 31 GLN N 1 1 18 15940 1 1 31 GLN NE2 N -0.863 4.699 2.546 1.00 . A A . 31 GLN NE2 1 1 18 15941 1 1 31 GLN O O 2.643 -0.016 5.570 1.00 . A A . 31 GLN O 1 1 18 15942 1 1 31 GLN OE1 O -0.588 4.694 4.777 1.00 . A A . 31 GLN OE1 1 1 18 15943 1 1 32 VAL C C 2.174 -2.866 6.688 1.00 . A A . 32 VAL C 1 1 18 15944 1 1 32 VAL CA C 1.186 -1.763 7.113 1.00 . A A . 32 VAL CA 1 1 18 15945 1 1 32 VAL CB C 0.027 -2.394 7.938 1.00 . A A . 32 VAL CB 1 1 18 15946 1 1 32 VAL CG1 C -0.844 -1.305 8.550 1.00 . A A . 32 VAL CG1 1 1 18 15947 1 1 32 VAL CG2 C -0.811 -3.325 7.065 1.00 . A A . 32 VAL CG2 1 1 18 15948 1 1 32 VAL H H -0.252 -1.090 5.746 1.00 . A A . 32 VAL H 1 1 18 15949 1 1 32 VAL HA H 1.710 -1.080 7.763 1.00 . A A . 32 VAL HA 1 1 18 15950 1 1 32 VAL HB H 0.456 -2.971 8.743 1.00 . A A . 32 VAL HB 1 1 18 15951 1 1 32 VAL HG11 H -1.235 -0.690 7.752 1.00 . A A . 32 VAL HG11 1 1 18 15952 1 1 32 VAL HG12 H -0.265 -0.710 9.240 1.00 . A A . 32 VAL HG12 1 1 18 15953 1 1 32 VAL HG13 H -1.665 -1.760 9.083 1.00 . A A . 32 VAL HG13 1 1 18 15954 1 1 32 VAL HG21 H -0.141 -4.055 6.633 1.00 . A A . 32 VAL HG21 1 1 18 15955 1 1 32 VAL HG22 H -1.254 -2.746 6.268 1.00 . A A . 32 VAL HG22 1 1 18 15956 1 1 32 VAL HG23 H -1.573 -3.820 7.652 1.00 . A A . 32 VAL HG23 1 1 18 15957 1 1 32 VAL N N 0.686 -0.970 5.999 1.00 . A A . 32 VAL N 1 1 18 15958 1 1 32 VAL O O 3.084 -3.197 7.445 1.00 . A A . 32 VAL O 1 1 18 15959 1 1 33 CYS C C 4.205 -4.117 4.515 1.00 . A A . 33 CYS C 1 1 18 15960 1 1 33 CYS CA C 2.837 -4.564 5.075 1.00 . A A . 33 CYS CA 1 1 18 15961 1 1 33 CYS CB C 2.083 -5.488 4.068 1.00 . A A . 33 CYS CB 1 1 18 15962 1 1 33 CYS H H 1.418 -3.039 4.800 1.00 . A A . 33 CYS H 1 1 18 15963 1 1 33 CYS HA H 3.030 -5.118 5.980 1.00 . A A . 33 CYS HA 1 1 18 15964 1 1 33 CYS HB2 H 2.666 -6.359 3.832 1.00 . A A . 33 CYS HB2 1 1 18 15965 1 1 33 CYS HB3 H 1.118 -5.777 4.448 1.00 . A A . 33 CYS HB3 1 1 18 15966 1 1 33 CYS N N 2.019 -3.411 5.476 1.00 . A A . 33 CYS N 1 1 18 15967 1 1 33 CYS O O 5.173 -4.873 4.570 1.00 . A A . 33 CYS O 1 1 18 15968 1 1 33 CYS SG S 1.726 -4.705 2.539 1.00 . A A . 33 CYS SG 1 1 18 15969 1 1 34 VAL C C 6.166 -1.337 4.366 1.00 . A A . 34 VAL C 1 1 18 15970 1 1 34 VAL CA C 5.499 -2.403 3.422 1.00 . A A . 34 VAL CA 1 1 18 15971 1 1 34 VAL CB C 5.252 -1.813 2.009 1.00 . A A . 34 VAL CB 1 1 18 15972 1 1 34 VAL CG1 C 4.691 -0.413 2.017 1.00 . A A . 34 VAL CG1 1 1 18 15973 1 1 34 VAL CG2 C 6.472 -1.931 1.202 1.00 . A A . 34 VAL CG2 1 1 18 15974 1 1 34 VAL H H 3.538 -2.258 3.937 1.00 . A A . 34 VAL H 1 1 18 15975 1 1 34 VAL HA H 6.163 -3.249 3.335 1.00 . A A . 34 VAL HA 1 1 18 15976 1 1 34 VAL HB H 4.478 -2.367 1.497 1.00 . A A . 34 VAL HB 1 1 18 15977 1 1 34 VAL HG11 H 4.589 -0.069 0.996 1.00 . A A . 34 VAL HG11 1 1 18 15978 1 1 34 VAL HG12 H 5.389 0.228 2.535 1.00 . A A . 34 VAL HG12 1 1 18 15979 1 1 34 VAL HG13 H 3.727 -0.385 2.503 1.00 . A A . 34 VAL HG13 1 1 18 15980 1 1 34 VAL HG21 H 7.270 -1.464 1.758 1.00 . A A . 34 VAL HG21 1 1 18 15981 1 1 34 VAL HG22 H 6.310 -1.497 0.229 1.00 . A A . 34 VAL HG22 1 1 18 15982 1 1 34 VAL HG23 H 6.586 -3.003 1.147 1.00 . A A . 34 VAL HG23 1 1 18 15983 1 1 34 VAL N N 4.285 -2.884 3.986 1.00 . A A . 34 VAL N 1 1 18 15984 1 1 34 VAL O O 7.164 -0.714 4.022 1.00 . A A . 34 VAL O 1 1 18 15985 1 1 35 GLY C C 5.958 1.244 6.163 1.00 . A A . 35 GLY C 1 1 18 15986 1 1 35 GLY CA C 6.147 -0.241 6.527 1.00 . A A . 35 GLY CA 1 1 18 15987 1 1 35 GLY H H 4.927 -1.842 5.818 1.00 . A A . 35 GLY H 1 1 18 15988 1 1 35 GLY HA2 H 5.651 -0.421 7.469 1.00 . A A . 35 GLY HA2 1 1 18 15989 1 1 35 GLY HA3 H 7.199 -0.437 6.660 1.00 . A A . 35 GLY HA3 1 1 18 15990 1 1 35 GLY N N 5.624 -1.205 5.563 1.00 . A A . 35 GLY N 1 1 18 15991 1 1 35 GLY O O 6.895 2.039 6.285 1.00 . A A . 35 GLY O 1 1 18 15992 1 1 36 VAL C C 3.602 3.539 6.600 1.00 . A A . 36 VAL C 1 1 18 15993 1 1 36 VAL CA C 4.422 2.989 5.449 1.00 . A A . 36 VAL CA 1 1 18 15994 1 1 36 VAL CB C 3.553 3.138 4.144 1.00 . A A . 36 VAL CB 1 1 18 15995 1 1 36 VAL CG1 C 3.028 4.506 3.945 1.00 . A A . 36 VAL CG1 1 1 18 15996 1 1 36 VAL CG2 C 4.305 2.833 2.945 1.00 . A A . 36 VAL CG2 1 1 18 15997 1 1 36 VAL H H 4.081 0.925 5.556 1.00 . A A . 36 VAL H 1 1 18 15998 1 1 36 VAL HA H 5.322 3.572 5.330 1.00 . A A . 36 VAL HA 1 1 18 15999 1 1 36 VAL HB H 2.733 2.442 4.199 1.00 . A A . 36 VAL HB 1 1 18 16000 1 1 36 VAL HG11 H 3.862 5.188 3.862 1.00 . A A . 36 VAL HG11 1 1 18 16001 1 1 36 VAL HG12 H 2.330 4.775 4.723 1.00 . A A . 36 VAL HG12 1 1 18 16002 1 1 36 VAL HG13 H 2.535 4.460 2.981 1.00 . A A . 36 VAL HG13 1 1 18 16003 1 1 36 VAL HG21 H 4.240 1.792 2.673 1.00 . A A . 36 VAL HG21 1 1 18 16004 1 1 36 VAL HG22 H 5.311 3.221 2.985 1.00 . A A . 36 VAL HG22 1 1 18 16005 1 1 36 VAL HG23 H 3.796 3.473 2.227 1.00 . A A . 36 VAL HG23 1 1 18 16006 1 1 36 VAL N N 4.773 1.603 5.721 1.00 . A A . 36 VAL N 1 1 18 16007 1 1 36 VAL O O 2.801 2.822 7.194 1.00 . A A . 36 VAL O 1 1 18 16008 1 1 37 SER C C 2.146 6.434 6.988 1.00 . A A . 37 SER C 1 1 18 16009 1 1 37 SER CA C 2.964 5.457 7.844 1.00 . A A . 37 SER CA 1 1 18 16010 1 1 37 SER CB C 3.805 6.198 8.872 1.00 . A A . 37 SER CB 1 1 18 16011 1 1 37 SER H H 4.487 5.413 6.605 1.00 . A A . 37 SER H 1 1 18 16012 1 1 37 SER HA H 2.316 4.733 8.316 1.00 . A A . 37 SER HA 1 1 18 16013 1 1 37 SER HB2 H 4.388 6.957 8.375 1.00 . A A . 37 SER HB2 1 1 18 16014 1 1 37 SER HB3 H 3.156 6.658 9.600 1.00 . A A . 37 SER HB3 1 1 18 16015 1 1 37 SER HG H 4.674 4.459 9.062 1.00 . A A . 37 SER HG 1 1 18 16016 1 1 37 SER N N 3.810 4.783 6.928 1.00 . A A . 37 SER N 1 1 18 16017 1 1 37 SER O O 2.696 6.985 6.021 1.00 . A A . 37 SER O 1 1 18 16018 1 1 37 SER OG O 4.669 5.296 9.534 1.00 . A A . 37 SER OG 1 1 18 16019 1 1 38 PRO C C 0.524 8.798 5.981 1.00 . A A . 38 PRO C 1 1 18 16020 1 1 38 PRO CA C -0.077 7.474 6.472 1.00 . A A . 38 PRO CA 1 1 18 16021 1 1 38 PRO CB C -1.270 7.739 7.421 1.00 . A A . 38 PRO CB 1 1 18 16022 1 1 38 PRO CD C 0.167 6.120 8.477 1.00 . A A . 38 PRO CD 1 1 18 16023 1 1 38 PRO CG C -0.857 7.176 8.758 1.00 . A A . 38 PRO CG 1 1 18 16024 1 1 38 PRO HA H -0.424 6.909 5.621 1.00 . A A . 38 PRO HA 1 1 18 16025 1 1 38 PRO HB2 H -1.474 8.797 7.485 1.00 . A A . 38 PRO HB2 1 1 18 16026 1 1 38 PRO HB3 H -2.143 7.229 7.042 1.00 . A A . 38 PRO HB3 1 1 18 16027 1 1 38 PRO HD2 H 0.833 6.023 9.319 1.00 . A A . 38 PRO HD2 1 1 18 16028 1 1 38 PRO HD3 H -0.309 5.177 8.258 1.00 . A A . 38 PRO HD3 1 1 18 16029 1 1 38 PRO HG2 H -0.422 7.950 9.371 1.00 . A A . 38 PRO HG2 1 1 18 16030 1 1 38 PRO HG3 H -1.711 6.743 9.255 1.00 . A A . 38 PRO HG3 1 1 18 16031 1 1 38 PRO N N 0.850 6.653 7.302 1.00 . A A . 38 PRO N 1 1 18 16032 1 1 38 PRO O O 0.550 9.074 4.783 1.00 . A A . 38 PRO O 1 1 18 16033 1 1 39 GLU C C 2.851 10.787 5.691 1.00 . A A . 39 GLU C 1 1 18 16034 1 1 39 GLU CA C 1.626 10.878 6.592 1.00 . A A . 39 GLU CA 1 1 18 16035 1 1 39 GLU CB C 1.937 11.639 7.862 1.00 . A A . 39 GLU CB 1 1 18 16036 1 1 39 GLU CD C 0.954 12.661 9.933 1.00 . A A . 39 GLU CD 1 1 18 16037 1 1 39 GLU CG C 0.746 11.722 8.773 1.00 . A A . 39 GLU CG 1 1 18 16038 1 1 39 GLU H H 1.065 9.193 7.808 1.00 . A A . 39 GLU H 1 1 18 16039 1 1 39 GLU HA H 0.864 11.419 6.047 1.00 . A A . 39 GLU HA 1 1 18 16040 1 1 39 GLU HB2 H 2.747 11.153 8.383 1.00 . A A . 39 GLU HB2 1 1 18 16041 1 1 39 GLU HB3 H 2.236 12.644 7.610 1.00 . A A . 39 GLU HB3 1 1 18 16042 1 1 39 GLU HG2 H -0.078 12.033 8.154 1.00 . A A . 39 GLU HG2 1 1 18 16043 1 1 39 GLU HG3 H 0.548 10.726 9.147 1.00 . A A . 39 GLU HG3 1 1 18 16044 1 1 39 GLU N N 1.073 9.563 6.901 1.00 . A A . 39 GLU N 1 1 18 16045 1 1 39 GLU O O 3.153 11.684 4.951 1.00 . A A . 39 GLU O 1 1 18 16046 1 1 39 GLU OE1 O 1.731 12.325 10.845 1.00 . A A . 39 GLU OE1 1 1 18 16047 1 1 39 GLU OE2 O 0.312 13.745 9.962 1.00 . A A . 39 GLU OE2 1 1 18 16048 1 1 40 MET C C 4.395 9.378 3.471 1.00 . A A . 40 MET C 1 1 18 16049 1 1 40 MET CA C 4.740 9.513 4.942 1.00 . A A . 40 MET CA 1 1 18 16050 1 1 40 MET CB C 5.548 8.294 5.376 1.00 . A A . 40 MET CB 1 1 18 16051 1 1 40 MET CE C 8.264 6.747 5.914 1.00 . A A . 40 MET CE 1 1 18 16052 1 1 40 MET CG C 6.151 8.374 6.758 1.00 . A A . 40 MET CG 1 1 18 16053 1 1 40 MET H H 3.091 8.979 6.272 1.00 . A A . 40 MET H 1 1 18 16054 1 1 40 MET HA H 5.348 10.401 5.066 1.00 . A A . 40 MET HA 1 1 18 16055 1 1 40 MET HB2 H 4.913 7.419 5.338 1.00 . A A . 40 MET HB2 1 1 18 16056 1 1 40 MET HB3 H 6.349 8.163 4.664 1.00 . A A . 40 MET HB3 1 1 18 16057 1 1 40 MET HE1 H 7.786 6.698 4.947 1.00 . A A . 40 MET HE1 1 1 18 16058 1 1 40 MET HE2 H 8.865 5.861 6.054 1.00 . A A . 40 MET HE2 1 1 18 16059 1 1 40 MET HE3 H 8.901 7.617 5.956 1.00 . A A . 40 MET HE3 1 1 18 16060 1 1 40 MET HG2 H 6.855 9.194 6.795 1.00 . A A . 40 MET HG2 1 1 18 16061 1 1 40 MET HG3 H 5.356 8.553 7.464 1.00 . A A . 40 MET HG3 1 1 18 16062 1 1 40 MET N N 3.526 9.686 5.746 1.00 . A A . 40 MET N 1 1 18 16063 1 1 40 MET O O 4.946 10.067 2.635 1.00 . A A . 40 MET O 1 1 18 16064 1 1 40 MET SD S 7.004 6.845 7.198 1.00 . A A . 40 MET SD 1 1 18 16065 1 1 41 ALA C C 2.150 9.262 1.217 1.00 . A A . 41 ALA C 1 1 18 16066 1 1 41 ALA CA C 3.058 8.209 1.816 1.00 . A A . 41 ALA CA 1 1 18 16067 1 1 41 ALA CB C 2.349 6.918 1.776 1.00 . A A . 41 ALA CB 1 1 18 16068 1 1 41 ALA H H 3.024 7.978 3.900 1.00 . A A . 41 ALA H 1 1 18 16069 1 1 41 ALA HA H 3.952 8.108 1.222 1.00 . A A . 41 ALA HA 1 1 18 16070 1 1 41 ALA HB1 H 2.989 6.097 2.075 1.00 . A A . 41 ALA HB1 1 1 18 16071 1 1 41 ALA HB2 H 1.933 6.785 0.791 1.00 . A A . 41 ALA HB2 1 1 18 16072 1 1 41 ALA HB3 H 1.555 7.058 2.496 1.00 . A A . 41 ALA HB3 1 1 18 16073 1 1 41 ALA N N 3.459 8.491 3.182 1.00 . A A . 41 ALA N 1 1 18 16074 1 1 41 ALA O O 2.122 9.438 0.014 1.00 . A A . 41 ALA O 1 1 18 16075 1 1 42 GLU C C 1.161 12.222 1.279 1.00 . A A . 42 GLU C 1 1 18 16076 1 1 42 GLU CA C 0.459 10.902 1.479 1.00 . A A . 42 GLU CA 1 1 18 16077 1 1 42 GLU CB C -0.764 11.082 2.391 1.00 . A A . 42 GLU CB 1 1 18 16078 1 1 42 GLU CD C -2.831 10.104 3.433 1.00 . A A . 42 GLU CD 1 1 18 16079 1 1 42 GLU CG C -1.662 9.861 2.506 1.00 . A A . 42 GLU CG 1 1 18 16080 1 1 42 GLU H H 1.417 9.824 2.999 1.00 . A A . 42 GLU H 1 1 18 16081 1 1 42 GLU HA H 0.125 10.536 0.519 1.00 . A A . 42 GLU HA 1 1 18 16082 1 1 42 GLU HB2 H -0.408 11.300 3.386 1.00 . A A . 42 GLU HB2 1 1 18 16083 1 1 42 GLU HB3 H -1.356 11.909 2.028 1.00 . A A . 42 GLU HB3 1 1 18 16084 1 1 42 GLU HG2 H -2.032 9.610 1.522 1.00 . A A . 42 GLU HG2 1 1 18 16085 1 1 42 GLU HG3 H -1.070 9.044 2.894 1.00 . A A . 42 GLU HG3 1 1 18 16086 1 1 42 GLU N N 1.379 9.928 2.026 1.00 . A A . 42 GLU N 1 1 18 16087 1 1 42 GLU O O 0.828 12.993 0.384 1.00 . A A . 42 GLU O 1 1 18 16088 1 1 42 GLU OE1 O -3.708 10.930 3.097 1.00 . A A . 42 GLU OE1 1 1 18 16089 1 1 42 GLU OE2 O -2.886 9.503 4.519 1.00 . A A . 42 GLU OE2 1 1 18 16090 1 1 43 ASN C C 4.102 13.781 1.239 1.00 . A A . 43 ASN C 1 1 18 16091 1 1 43 ASN CA C 2.829 13.745 2.083 1.00 . A A . 43 ASN CA 1 1 18 16092 1 1 43 ASN CB C 3.089 14.256 3.485 1.00 . A A . 43 ASN CB 1 1 18 16093 1 1 43 ASN CG C 1.813 14.637 4.234 1.00 . A A . 43 ASN CG 1 1 18 16094 1 1 43 ASN H H 2.281 11.767 2.783 1.00 . A A . 43 ASN H 1 1 18 16095 1 1 43 ASN HA H 2.132 14.434 1.625 1.00 . A A . 43 ASN HA 1 1 18 16096 1 1 43 ASN HB2 H 3.587 13.471 4.040 1.00 . A A . 43 ASN HB2 1 1 18 16097 1 1 43 ASN HB3 H 3.737 15.102 3.394 1.00 . A A . 43 ASN HB3 1 1 18 16098 1 1 43 ASN HD21 H 1.918 16.532 3.595 1.00 . A A . 43 ASN HD21 1 1 18 16099 1 1 43 ASN HD22 H 0.587 16.119 4.614 1.00 . A A . 43 ASN HD22 1 1 18 16100 1 1 43 ASN N N 2.136 12.474 2.116 1.00 . A A . 43 ASN N 1 1 18 16101 1 1 43 ASN ND2 N 1.409 15.887 4.130 1.00 . A A . 43 ASN ND2 1 1 18 16102 1 1 43 ASN O O 4.400 14.816 0.624 1.00 . A A . 43 ASN O 1 1 18 16103 1 1 43 ASN OD1 O 1.197 13.814 4.914 1.00 . A A . 43 ASN OD1 1 1 18 16104 1 1 44 GLU C C 6.200 11.482 -0.472 1.00 . A A . 44 GLU C 1 1 18 16105 1 1 44 GLU CA C 6.083 12.687 0.431 1.00 . A A . 44 GLU CA 1 1 18 16106 1 1 44 GLU CB C 7.353 12.840 1.294 1.00 . A A . 44 GLU CB 1 1 18 16107 1 1 44 GLU CD C 8.837 14.338 2.682 1.00 . A A . 44 GLU CD 1 1 18 16108 1 1 44 GLU CG C 7.485 14.174 2.024 1.00 . A A . 44 GLU CG 1 1 18 16109 1 1 44 GLU H H 4.505 11.887 1.637 1.00 . A A . 44 GLU H 1 1 18 16110 1 1 44 GLU HA H 6.010 13.554 -0.206 1.00 . A A . 44 GLU HA 1 1 18 16111 1 1 44 GLU HB2 H 7.351 12.054 2.032 1.00 . A A . 44 GLU HB2 1 1 18 16112 1 1 44 GLU HB3 H 8.223 12.715 0.664 1.00 . A A . 44 GLU HB3 1 1 18 16113 1 1 44 GLU HG2 H 7.346 14.974 1.313 1.00 . A A . 44 GLU HG2 1 1 18 16114 1 1 44 GLU HG3 H 6.717 14.225 2.781 1.00 . A A . 44 GLU HG3 1 1 18 16115 1 1 44 GLU N N 4.846 12.695 1.196 1.00 . A A . 44 GLU N 1 1 18 16116 1 1 44 GLU O O 5.448 10.514 -0.337 1.00 . A A . 44 GLU O 1 1 18 16117 1 1 44 GLU OE1 O 9.779 14.861 2.018 1.00 . A A . 44 GLU OE1 1 1 18 16118 1 1 44 GLU OE2 O 8.997 13.948 3.850 1.00 . A A . 44 GLU OE2 1 1 18 16119 1 1 45 ASP C C 7.835 9.258 -1.622 1.00 . A A . 45 ASP C 1 1 18 16120 1 1 45 ASP CA C 7.455 10.508 -2.360 1.00 . A A . 45 ASP CA 1 1 18 16121 1 1 45 ASP CB C 8.662 10.919 -3.224 1.00 . A A . 45 ASP CB 1 1 18 16122 1 1 45 ASP CG C 8.509 12.264 -3.889 1.00 . A A . 45 ASP CG 1 1 18 16123 1 1 45 ASP H H 7.741 12.349 -1.501 1.00 . A A . 45 ASP H 1 1 18 16124 1 1 45 ASP HA H 6.603 10.345 -3.003 1.00 . A A . 45 ASP HA 1 1 18 16125 1 1 45 ASP HB2 H 9.538 10.942 -2.595 1.00 . A A . 45 ASP HB2 1 1 18 16126 1 1 45 ASP HB3 H 8.813 10.171 -3.991 1.00 . A A . 45 ASP HB3 1 1 18 16127 1 1 45 ASP N N 7.163 11.562 -1.392 1.00 . A A . 45 ASP N 1 1 18 16128 1 1 45 ASP O O 8.783 9.267 -0.799 1.00 . A A . 45 ASP O 1 1 18 16129 1 1 45 ASP OD1 O 8.689 13.296 -3.202 1.00 . A A . 45 ASP OD1 1 1 18 16130 1 1 45 ASP OD2 O 8.250 12.321 -5.106 1.00 . A A . 45 ASP OD2 1 1 18 16131 1 1 46 TYR C C 8.230 5.977 -2.052 1.00 . A A . 46 TYR C 1 1 18 16132 1 1 46 TYR CA C 7.467 6.989 -1.212 1.00 . A A . 46 TYR CA 1 1 18 16133 1 1 46 TYR CB C 6.287 6.399 -0.438 1.00 . A A . 46 TYR CB 1 1 18 16134 1 1 46 TYR CD1 C 7.689 5.177 1.293 1.00 . A A . 46 TYR CD1 1 1 18 16135 1 1 46 TYR CD2 C 6.135 3.974 -0.005 1.00 . A A . 46 TYR CD2 1 1 18 16136 1 1 46 TYR CE1 C 8.086 4.006 1.928 1.00 . A A . 46 TYR CE1 1 1 18 16137 1 1 46 TYR CE2 C 6.517 2.798 0.599 1.00 . A A . 46 TYR CE2 1 1 18 16138 1 1 46 TYR CG C 6.692 5.156 0.314 1.00 . A A . 46 TYR CG 1 1 18 16139 1 1 46 TYR CZ C 7.493 2.816 1.573 1.00 . A A . 46 TYR CZ 1 1 18 16140 1 1 46 TYR H H 6.495 8.229 -2.626 1.00 . A A . 46 TYR H 1 1 18 16141 1 1 46 TYR HA H 8.205 7.264 -0.480 1.00 . A A . 46 TYR HA 1 1 18 16142 1 1 46 TYR HB2 H 5.912 7.132 0.265 1.00 . A A . 46 TYR HB2 1 1 18 16143 1 1 46 TYR HB3 H 5.507 6.131 -1.135 1.00 . A A . 46 TYR HB3 1 1 18 16144 1 1 46 TYR HD1 H 8.149 6.117 1.564 1.00 . A A . 46 TYR HD1 1 1 18 16145 1 1 46 TYR HD2 H 5.368 4.065 -0.749 1.00 . A A . 46 TYR HD2 1 1 18 16146 1 1 46 TYR HE1 H 8.852 4.038 2.687 1.00 . A A . 46 TYR HE1 1 1 18 16147 1 1 46 TYR HE2 H 6.045 1.867 0.327 1.00 . A A . 46 TYR HE2 1 1 18 16148 1 1 46 TYR HH H 7.912 1.718 3.122 1.00 . A A . 46 TYR HH 1 1 18 16149 1 1 46 TYR N N 7.169 8.188 -1.900 1.00 . A A . 46 TYR N 1 1 18 16150 1 1 46 TYR O O 7.811 5.548 -3.116 1.00 . A A . 46 TYR O 1 1 18 16151 1 1 46 TYR OH O 7.875 1.631 2.166 1.00 . A A . 46 TYR OH 1 1 18 16152 1 1 47 ILE C C 10.199 3.387 -1.434 1.00 . A A . 47 ILE C 1 1 18 16153 1 1 47 ILE CA C 10.261 4.709 -2.166 1.00 . A A . 47 ILE CA 1 1 18 16154 1 1 47 ILE CB C 11.722 5.255 -2.204 1.00 . A A . 47 ILE CB 1 1 18 16155 1 1 47 ILE CD1 C 11.319 6.543 -4.419 1.00 . A A . 47 ILE CD1 1 1 18 16156 1 1 47 ILE CG1 C 11.771 6.608 -2.962 1.00 . A A . 47 ILE CG1 1 1 18 16157 1 1 47 ILE CG2 C 12.667 4.246 -2.855 1.00 . A A . 47 ILE CG2 1 1 18 16158 1 1 47 ILE H H 9.392 6.094 -0.676 1.00 . A A . 47 ILE H 1 1 18 16159 1 1 47 ILE HA H 9.917 4.554 -3.178 1.00 . A A . 47 ILE HA 1 1 18 16160 1 1 47 ILE HB H 12.052 5.419 -1.186 1.00 . A A . 47 ILE HB 1 1 18 16161 1 1 47 ILE HD11 H 11.377 7.534 -4.845 1.00 . A A . 47 ILE HD11 1 1 18 16162 1 1 47 ILE HD12 H 10.296 6.198 -4.467 1.00 . A A . 47 ILE HD12 1 1 18 16163 1 1 47 ILE HD13 H 11.956 5.873 -4.979 1.00 . A A . 47 ILE HD13 1 1 18 16164 1 1 47 ILE HG12 H 11.086 7.291 -2.479 1.00 . A A . 47 ILE HG12 1 1 18 16165 1 1 47 ILE HG13 H 12.775 7.009 -2.941 1.00 . A A . 47 ILE HG13 1 1 18 16166 1 1 47 ILE HG21 H 13.675 4.630 -2.840 1.00 . A A . 47 ILE HG21 1 1 18 16167 1 1 47 ILE HG22 H 12.358 4.081 -3.876 1.00 . A A . 47 ILE HG22 1 1 18 16168 1 1 47 ILE HG23 H 12.625 3.312 -2.316 1.00 . A A . 47 ILE HG23 1 1 18 16169 1 1 47 ILE N N 9.370 5.632 -1.538 1.00 . A A . 47 ILE N 1 1 18 16170 1 1 47 ILE O O 10.516 3.311 -0.257 1.00 . A A . 47 ILE O 1 1 18 16171 1 1 48 CYS C C 11.039 0.422 -1.426 1.00 . A A . 48 CYS C 1 1 18 16172 1 1 48 CYS CA C 9.635 1.044 -1.516 1.00 . A A . 48 CYS CA 1 1 18 16173 1 1 48 CYS CB C 8.746 0.126 -2.363 1.00 . A A . 48 CYS CB 1 1 18 16174 1 1 48 CYS H H 9.542 2.489 -3.071 1.00 . A A . 48 CYS H 1 1 18 16175 1 1 48 CYS HA H 9.216 1.156 -0.527 1.00 . A A . 48 CYS HA 1 1 18 16176 1 1 48 CYS HB2 H 8.417 -0.676 -1.715 1.00 . A A . 48 CYS HB2 1 1 18 16177 1 1 48 CYS HB3 H 7.875 0.654 -2.708 1.00 . A A . 48 CYS HB3 1 1 18 16178 1 1 48 CYS N N 9.766 2.351 -2.131 1.00 . A A . 48 CYS N 1 1 18 16179 1 1 48 CYS O O 11.977 0.921 -2.072 1.00 . A A . 48 CYS O 1 1 18 16180 1 1 48 CYS SG S 9.602 -0.647 -3.768 1.00 . A A . 48 CYS SG 1 1 18 16181 1 1 49 ILE C C 12.988 -1.909 -1.824 1.00 . A A . 49 ILE C 1 1 18 16182 1 1 49 ILE CA C 12.471 -1.318 -0.528 1.00 . A A . 49 ILE CA 1 1 18 16183 1 1 49 ILE CB C 12.423 -2.328 0.605 1.00 . A A . 49 ILE CB 1 1 18 16184 1 1 49 ILE CD1 C 12.031 -4.627 -0.464 1.00 . A A . 49 ILE CD1 1 1 18 16185 1 1 49 ILE CG1 C 11.480 -3.468 0.366 1.00 . A A . 49 ILE CG1 1 1 18 16186 1 1 49 ILE CG2 C 12.007 -1.618 1.854 1.00 . A A . 49 ILE CG2 1 1 18 16187 1 1 49 ILE H H 10.432 -1.100 -0.229 1.00 . A A . 49 ILE H 1 1 18 16188 1 1 49 ILE HA H 13.141 -0.543 -0.221 1.00 . A A . 49 ILE HA 1 1 18 16189 1 1 49 ILE HB H 13.420 -2.707 0.747 1.00 . A A . 49 ILE HB 1 1 18 16190 1 1 49 ILE HD11 H 11.271 -5.388 -0.556 1.00 . A A . 49 ILE HD11 1 1 18 16191 1 1 49 ILE HD12 H 12.908 -5.049 0.006 1.00 . A A . 49 ILE HD12 1 1 18 16192 1 1 49 ILE HD13 H 12.280 -4.266 -1.449 1.00 . A A . 49 ILE HD13 1 1 18 16193 1 1 49 ILE HG12 H 11.355 -3.746 1.387 1.00 . A A . 49 ILE HG12 1 1 18 16194 1 1 49 ILE HG13 H 10.552 -3.091 -0.045 1.00 . A A . 49 ILE HG13 1 1 18 16195 1 1 49 ILE HG21 H 12.739 -0.872 2.114 1.00 . A A . 49 ILE HG21 1 1 18 16196 1 1 49 ILE HG22 H 11.833 -2.321 2.656 1.00 . A A . 49 ILE HG22 1 1 18 16197 1 1 49 ILE HG23 H 11.094 -1.127 1.550 1.00 . A A . 49 ILE HG23 1 1 18 16198 1 1 49 ILE N N 11.182 -0.679 -0.694 1.00 . A A . 49 ILE N 1 1 18 16199 1 1 49 ILE O O 14.190 -2.002 -2.062 1.00 . A A . 49 ILE O 1 1 18 16200 1 1 50 ASN C C 12.860 -1.752 -4.949 1.00 . A A . 50 ASN C 1 1 18 16201 1 1 50 ASN CA C 12.329 -2.830 -3.991 1.00 . A A . 50 ASN CA 1 1 18 16202 1 1 50 ASN CB C 11.070 -3.490 -4.589 1.00 . A A . 50 ASN CB 1 1 18 16203 1 1 50 ASN CG C 10.510 -4.623 -3.745 1.00 . A A . 50 ASN CG 1 1 18 16204 1 1 50 ASN H H 11.147 -2.042 -2.341 1.00 . A A . 50 ASN H 1 1 18 16205 1 1 50 ASN HA H 13.097 -3.577 -3.851 1.00 . A A . 50 ASN HA 1 1 18 16206 1 1 50 ASN HB2 H 10.305 -2.734 -4.700 1.00 . A A . 50 ASN HB2 1 1 18 16207 1 1 50 ASN HB3 H 11.321 -3.878 -5.561 1.00 . A A . 50 ASN HB3 1 1 18 16208 1 1 50 ASN HD21 H 11.596 -5.967 -4.723 1.00 . A A . 50 ASN HD21 1 1 18 16209 1 1 50 ASN HD22 H 10.585 -6.589 -3.480 1.00 . A A . 50 ASN HD22 1 1 18 16210 1 1 50 ASN N N 12.050 -2.242 -2.674 1.00 . A A . 50 ASN N 1 1 18 16211 1 1 50 ASN ND2 N 10.940 -5.842 -4.006 1.00 . A A . 50 ASN ND2 1 1 18 16212 1 1 50 ASN O O 13.659 -2.027 -5.826 1.00 . A A . 50 ASN O 1 1 18 16213 1 1 50 ASN OD1 O 9.681 -4.402 -2.875 1.00 . A A . 50 ASN OD1 1 1 18 16214 1 1 51 CYS C C 14.157 1.225 -4.913 1.00 . A A . 51 CYS C 1 1 18 16215 1 1 51 CYS CA C 12.887 0.622 -5.550 1.00 . A A . 51 CYS CA 1 1 18 16216 1 1 51 CYS CB C 11.779 1.718 -5.716 1.00 . A A . 51 CYS CB 1 1 18 16217 1 1 51 CYS H H 11.774 -0.315 -4.038 1.00 . A A . 51 CYS H 1 1 18 16218 1 1 51 CYS HA H 13.147 0.232 -6.525 1.00 . A A . 51 CYS HA 1 1 18 16219 1 1 51 CYS HB2 H 11.336 1.969 -4.765 1.00 . A A . 51 CYS HB2 1 1 18 16220 1 1 51 CYS HB3 H 12.257 2.596 -6.126 1.00 . A A . 51 CYS HB3 1 1 18 16221 1 1 51 CYS N N 12.417 -0.508 -4.753 1.00 . A A . 51 CYS N 1 1 18 16222 1 1 51 CYS O O 14.806 2.106 -5.481 1.00 . A A . 51 CYS O 1 1 18 16223 1 1 51 CYS SG S 10.380 1.341 -6.852 1.00 . A A . 51 CYS SG 1 1 18 16224 1 1 52 ALA C C 16.694 0.068 -2.864 1.00 . A A . 52 ALA C 1 1 18 16225 1 1 52 ALA CA C 15.663 1.190 -2.992 1.00 . A A . 52 ALA CA 1 1 18 16226 1 1 52 ALA CB C 15.265 1.691 -1.612 1.00 . A A . 52 ALA CB 1 1 18 16227 1 1 52 ALA H H 13.905 0.032 -3.389 1.00 . A A . 52 ALA H 1 1 18 16228 1 1 52 ALA HA H 16.097 2.010 -3.545 1.00 . A A . 52 ALA HA 1 1 18 16229 1 1 52 ALA HB1 H 16.145 2.047 -1.095 1.00 . A A . 52 ALA HB1 1 1 18 16230 1 1 52 ALA HB2 H 14.827 0.877 -1.051 1.00 . A A . 52 ALA HB2 1 1 18 16231 1 1 52 ALA HB3 H 14.549 2.492 -1.709 1.00 . A A . 52 ALA HB3 1 1 18 16232 1 1 52 ALA N N 14.489 0.738 -3.736 1.00 . A A . 52 ALA N 1 1 18 16233 2 2 1 ALA C C 1.423 9.061 -3.886 1.00 . B B . 301 ALA C 1 1 18 16234 2 2 1 ALA CA C 2.901 9.254 -3.520 1.00 . B B . 301 ALA CA 1 1 18 16235 2 2 1 ALA CB C 3.353 8.093 -2.635 1.00 . B B . 301 ALA CB 1 1 18 16236 2 2 1 ALA HA H 3.483 9.235 -4.429 1.00 . B B . 301 ALA HA 1 1 18 16237 2 2 1 ALA HB1 H 3.196 7.168 -3.172 1.00 . B B . 301 ALA HB1 1 1 18 16238 2 2 1 ALA HB2 H 2.759 8.073 -1.735 1.00 . B B . 301 ALA HB2 1 1 18 16239 2 2 1 ALA HB3 H 4.396 8.203 -2.386 1.00 . B B . 301 ALA HB3 1 1 18 16240 2 2 1 ALA N N 3.120 10.560 -2.843 1.00 . B B . 301 ALA N 1 1 18 16241 2 2 1 ALA O O 0.558 9.924 -3.630 1.00 . B B . 301 ALA O 1 1 18 16242 2 2 2 ARG C C -0.820 6.637 -3.855 1.00 . B B . 302 ARG C 1 1 18 16243 2 2 2 ARG CA C -0.224 7.615 -4.842 1.00 . B B . 302 ARG CA 1 1 18 16244 2 2 2 ARG CB C -0.315 7.120 -6.287 1.00 . B B . 302 ARG CB 1 1 18 16245 2 2 2 ARG CD C -0.084 7.771 -8.733 1.00 . B B . 302 ARG CD 1 1 18 16246 2 2 2 ARG CG C 0.086 8.200 -7.287 1.00 . B B . 302 ARG CG 1 1 18 16247 2 2 2 ARG CZ C 1.355 6.632 -10.382 1.00 . B B . 302 ARG CZ 1 1 18 16248 2 2 2 ARG H H 1.848 7.287 -4.653 1.00 . B B . 302 ARG H 1 1 18 16249 2 2 2 ARG HA H -0.773 8.541 -4.759 1.00 . B B . 302 ARG HA 1 1 18 16250 2 2 2 ARG HB2 H 0.342 6.270 -6.410 1.00 . B B . 302 ARG HB2 1 1 18 16251 2 2 2 ARG HB3 H -1.332 6.823 -6.500 1.00 . B B . 302 ARG HB3 1 1 18 16252 2 2 2 ARG HD2 H -1.096 7.429 -8.882 1.00 . B B . 302 ARG HD2 1 1 18 16253 2 2 2 ARG HD3 H 0.098 8.634 -9.354 1.00 . B B . 302 ARG HD3 1 1 18 16254 2 2 2 ARG HE H 1.067 6.042 -8.460 1.00 . B B . 302 ARG HE 1 1 18 16255 2 2 2 ARG HG2 H -0.501 9.092 -7.133 1.00 . B B . 302 ARG HG2 1 1 18 16256 2 2 2 ARG HG3 H 1.124 8.443 -7.117 1.00 . B B . 302 ARG HG3 1 1 18 16257 2 2 2 ARG HH11 H 0.279 8.217 -11.138 1.00 . B B . 302 ARG HH11 1 1 18 16258 2 2 2 ARG HH12 H 1.349 7.472 -12.240 1.00 . B B . 302 ARG HH12 1 1 18 16259 2 2 2 ARG HH21 H 2.565 4.987 -10.038 1.00 . B B . 302 ARG HH21 1 1 18 16260 2 2 2 ARG HH22 H 2.667 5.624 -11.602 1.00 . B B . 302 ARG HH22 1 1 18 16261 2 2 2 ARG N N 1.123 7.926 -4.480 1.00 . B B . 302 ARG N 1 1 18 16262 2 2 2 ARG NE N 0.835 6.709 -9.147 1.00 . B B . 302 ARG NE 1 1 18 16263 2 2 2 ARG NH1 N 0.964 7.503 -11.315 1.00 . B B . 302 ARG NH1 1 1 18 16264 2 2 2 ARG NH2 N 2.251 5.681 -10.690 1.00 . B B . 302 ARG NH2 1 1 18 16265 2 2 2 ARG O O -0.270 5.567 -3.620 1.00 . B B . 302 ARG O 1 1 18 16266 2 2 3 THR C C -4.036 5.977 -2.631 1.00 . B B . 303 THR C 1 1 18 16267 2 2 3 THR CA C -2.580 6.231 -2.256 1.00 . B B . 303 THR CA 1 1 18 16268 2 2 3 THR CB C -2.489 6.925 -0.881 1.00 . B B . 303 THR CB 1 1 18 16269 2 2 3 THR CG2 C -1.096 6.783 -0.290 1.00 . B B . 303 THR CG2 1 1 18 16270 2 2 3 THR H H -2.336 7.882 -3.489 1.00 . B B . 303 THR H 1 1 18 16271 2 2 3 THR HA H -2.044 5.294 -2.194 1.00 . B B . 303 THR HA 1 1 18 16272 2 2 3 THR HB H -3.201 6.451 -0.220 1.00 . B B . 303 THR HB 1 1 18 16273 2 2 3 THR HG1 H -2.673 8.719 -0.138 1.00 . B B . 303 THR HG1 1 1 18 16274 2 2 3 THR HG21 H -0.370 7.173 -0.989 1.00 . B B . 303 THR HG21 1 1 18 16275 2 2 3 THR HG22 H -0.915 5.729 -0.143 1.00 . B B . 303 THR HG22 1 1 18 16276 2 2 3 THR HG23 H -1.028 7.316 0.648 1.00 . B B . 303 THR HG23 1 1 18 16277 2 2 3 THR N N -1.915 7.025 -3.259 1.00 . B B . 303 THR N 1 1 18 16278 2 2 3 THR O O -4.621 6.733 -3.434 1.00 . B B . 303 THR O 1 1 18 16279 2 2 3 THR OG1 O -2.839 8.322 -0.999 1.00 . B B . 303 THR OG1 1 1 18 16280 2 2 4 . C C -6.474 3.427 -1.388 1.00 . B B . 304 M3L C 1 1 18 16281 2 2 4 . CA C -6.012 4.503 -2.326 1.00 . B B . 304 M3L CA 1 1 18 16282 2 2 4 . CB C -6.217 4.080 -3.797 1.00 . B B . 304 M3L CB 1 1 18 16283 2 2 4 . CD C -5.298 1.718 -4.008 1.00 . B B . 304 M3L CD 1 1 18 16284 2 2 4 . CE C -6.311 0.936 -4.851 1.00 . B B . 304 M3L CE 1 1 18 16285 2 2 4 . CG C -5.150 3.163 -4.352 1.00 . B B . 304 M3L CG 1 1 18 16286 2 2 4 . CM1 C -4.627 -0.488 -6.138 1.00 . B B . 304 M3L CM1 1 1 18 16287 2 2 4 . CM2 C -5.541 1.575 -7.181 1.00 . B B . 304 M3L CM2 1 1 18 16288 2 2 4 . CM3 C -6.891 -0.392 -6.849 1.00 . B B . 304 M3L CM3 1 1 18 16289 2 2 4 . H H -4.079 4.365 -1.438 1.00 . B B . 304 M3L H 1 1 18 16290 2 2 4 . HA H -6.620 5.374 -2.135 1.00 . B B . 304 M3L HA 1 1 18 16291 2 2 4 . HB2 H -6.354 4.929 -4.452 1.00 . B B . 304 M3L HB2 1 1 18 16292 2 2 4 . HB3 H -7.075 3.426 -3.749 1.00 . B B . 304 M3L HB3 1 1 18 16293 2 2 4 . HD2 H -5.585 1.645 -2.969 1.00 . B B . 304 M3L HD2 1 1 18 16294 2 2 4 . HD3 H -4.337 1.247 -4.146 1.00 . B B . 304 M3L HD3 1 1 18 16295 2 2 4 . HE2 H -7.235 1.482 -4.937 1.00 . B B . 304 M3L HE2 1 1 18 16296 2 2 4 . HE3 H -6.434 0.060 -4.244 1.00 . B B . 304 M3L HE3 1 1 18 16297 2 2 4 . HG2 H -4.201 3.507 -3.970 1.00 . B B . 304 M3L HG2 1 1 18 16298 2 2 4 . HG3 H -5.139 3.195 -5.416 1.00 . B B . 304 M3L HG3 1 1 18 16299 2 2 4 . HM11 H -4.795 -1.400 -5.568 1.00 . B B . 304 M3L HM11 1 1 18 16300 2 2 4 . HM12 H -3.788 0.008 -5.675 1.00 . B B . 304 M3L HM12 1 1 18 16301 2 2 4 . HM13 H -4.211 -0.797 -7.089 1.00 . B B . 304 M3L HM13 1 1 18 16302 2 2 4 . HM21 H -5.546 1.281 -8.221 1.00 . B B . 304 M3L HM21 1 1 18 16303 2 2 4 . HM22 H -4.565 2.003 -7.004 1.00 . B B . 304 M3L HM22 1 1 18 16304 2 2 4 . HM23 H -6.254 2.381 -7.078 1.00 . B B . 304 M3L HM23 1 1 18 16305 2 2 4 . HM31 H -6.779 -0.510 -7.914 1.00 . B B . 304 M3L HM31 1 1 18 16306 2 2 4 . HM32 H -7.873 0.030 -6.694 1.00 . B B . 304 M3L HM32 1 1 18 16307 2 2 4 . HM33 H -6.931 -1.391 -6.442 1.00 . B B . 304 M3L HM33 1 1 18 16308 2 2 4 . N N -4.613 4.907 -2.064 1.00 . B B . 304 M3L N 1 1 18 16309 2 2 4 . NZ N -5.828 0.429 -6.256 1.00 . B B . 304 M3L NZ 1 1 18 16310 2 2 4 . O O -5.687 2.894 -0.631 1.00 . B B . 304 M3L O 1 1 18 16311 2 2 5 GLN C C -9.193 1.209 -1.530 1.00 . B B . 305 GLN C 1 1 18 16312 2 2 5 GLN CA C -8.336 2.063 -0.633 1.00 . B B . 305 GLN CA 1 1 18 16313 2 2 5 GLN CB C -9.214 2.643 0.497 1.00 . B B . 305 GLN CB 1 1 18 16314 2 2 5 GLN CD C -9.398 4.241 2.458 1.00 . B B . 305 GLN CD 1 1 18 16315 2 2 5 GLN CG C -8.512 3.671 1.362 1.00 . B B . 305 GLN CG 1 1 18 16316 2 2 5 GLN H H -8.345 3.578 -2.074 1.00 . B B . 305 GLN H 1 1 18 16317 2 2 5 GLN HA H -7.547 1.460 -0.206 1.00 . B B . 305 GLN HA 1 1 18 16318 2 2 5 GLN HB2 H -10.083 3.108 0.054 1.00 . B B . 305 GLN HB2 1 1 18 16319 2 2 5 GLN HB3 H -9.532 1.827 1.133 1.00 . B B . 305 GLN HB3 1 1 18 16320 2 2 5 GLN HE21 H -8.597 3.002 3.764 1.00 . B B . 305 GLN HE21 1 1 18 16321 2 2 5 GLN HE22 H -9.803 4.081 4.374 1.00 . B B . 305 GLN HE22 1 1 18 16322 2 2 5 GLN HG2 H -7.640 3.210 1.810 1.00 . B B . 305 GLN HG2 1 1 18 16323 2 2 5 GLN HG3 H -8.199 4.449 0.696 1.00 . B B . 305 GLN HG3 1 1 18 16324 2 2 5 GLN N N -7.755 3.109 -1.446 1.00 . B B . 305 GLN N 1 1 18 16325 2 2 5 GLN NE2 N -9.264 3.719 3.646 1.00 . B B . 305 GLN NE2 1 1 18 16326 2 2 5 GLN O O -9.674 1.682 -2.558 1.00 . B B . 305 GLN O 1 1 18 16327 2 2 5 GLN OE1 O -10.133 5.212 2.243 1.00 . B B . 305 GLN OE1 1 1 18 16328 2 2 6 THR C C -11.300 -1.416 -1.036 1.00 . B B . 306 THR C 1 1 18 16329 2 2 6 THR CA C -10.217 -0.896 -1.943 1.00 . B B . 306 THR CA 1 1 18 16330 2 2 6 THR CB C -9.446 -2.098 -2.529 1.00 . B B . 306 THR CB 1 1 18 16331 2 2 6 THR CG2 C -8.434 -1.658 -3.594 1.00 . B B . 306 THR CG2 1 1 18 16332 2 2 6 THR H H -8.877 -0.338 -0.394 1.00 . B B . 306 THR H 1 1 18 16333 2 2 6 THR HA H -10.667 -0.338 -2.749 1.00 . B B . 306 THR HA 1 1 18 16334 2 2 6 THR HB H -10.168 -2.771 -2.971 1.00 . B B . 306 THR HB 1 1 18 16335 2 2 6 THR HG1 H -9.402 -2.837 -0.728 1.00 . B B . 306 THR HG1 1 1 18 16336 2 2 6 THR HG21 H -8.923 -1.122 -4.393 1.00 . B B . 306 THR HG21 1 1 18 16337 2 2 6 THR HG22 H -7.918 -2.520 -3.995 1.00 . B B . 306 THR HG22 1 1 18 16338 2 2 6 THR HG23 H -7.676 -1.038 -3.129 1.00 . B B . 306 THR HG23 1 1 18 16339 2 2 6 THR N N -9.353 -0.017 -1.188 1.00 . B B . 306 THR N 1 1 18 16340 2 2 6 THR O O -11.020 -1.764 0.126 1.00 . B B . 306 THR O 1 1 18 16341 2 2 6 THR OG1 O -8.768 -2.783 -1.455 1.00 . B B . 306 THR OG1 1 1 18 16342 2 2 7 ALA C C -13.927 -3.389 -1.221 1.00 . B B . 307 ALA C 1 1 18 16343 2 2 7 ALA CA C -13.595 -1.979 -0.761 1.00 . B B . 307 ALA CA 1 1 18 16344 2 2 7 ALA CB C -14.810 -1.046 -0.807 1.00 . B B . 307 ALA CB 1 1 18 16345 2 2 7 ALA H H -12.679 -1.165 -2.446 1.00 . B B . 307 ALA H 1 1 18 16346 2 2 7 ALA HA H -13.244 -2.043 0.259 1.00 . B B . 307 ALA HA 1 1 18 16347 2 2 7 ALA HB1 H -15.598 -1.456 -0.194 1.00 . B B . 307 ALA HB1 1 1 18 16348 2 2 7 ALA HB2 H -15.158 -0.908 -1.818 1.00 . B B . 307 ALA HB2 1 1 18 16349 2 2 7 ALA HB3 H -14.515 -0.093 -0.379 1.00 . B B . 307 ALA HB3 1 1 18 16350 2 2 7 ALA N N -12.507 -1.465 -1.528 1.00 . B B . 307 ALA N 1 1 18 16351 2 2 7 ALA O O -14.491 -3.590 -2.298 1.00 . B B . 307 ALA O 1 1 18 16352 2 2 8 ARG C C -15.021 -6.303 -0.133 1.00 . B B . 308 ARG C 1 1 18 16353 2 2 8 ARG CA C -13.748 -5.761 -0.764 1.00 . B B . 308 ARG CA 1 1 18 16354 2 2 8 ARG CB C -12.540 -6.647 -0.390 1.00 . B B . 308 ARG CB 1 1 18 16355 2 2 8 ARG CD C -11.446 -6.563 -2.665 1.00 . B B . 308 ARG CD 1 1 18 16356 2 2 8 ARG CG C -11.250 -6.359 -1.164 1.00 . B B . 308 ARG CG 1 1 18 16357 2 2 8 ARG CZ C -10.094 -6.115 -4.720 1.00 . B B . 308 ARG CZ 1 1 18 16358 2 2 8 ARG H H -13.102 -4.122 0.426 1.00 . B B . 308 ARG H 1 1 18 16359 2 2 8 ARG HA H -13.880 -5.797 -1.834 1.00 . B B . 308 ARG HA 1 1 18 16360 2 2 8 ARG HB2 H -12.335 -6.534 0.663 1.00 . B B . 308 ARG HB2 1 1 18 16361 2 2 8 ARG HB3 H -12.808 -7.678 -0.566 1.00 . B B . 308 ARG HB3 1 1 18 16362 2 2 8 ARG HD2 H -11.845 -7.552 -2.829 1.00 . B B . 308 ARG HD2 1 1 18 16363 2 2 8 ARG HD3 H -12.149 -5.832 -3.031 1.00 . B B . 308 ARG HD3 1 1 18 16364 2 2 8 ARG HE H -9.385 -6.627 -2.889 1.00 . B B . 308 ARG HE 1 1 18 16365 2 2 8 ARG HG2 H -10.963 -5.332 -0.993 1.00 . B B . 308 ARG HG2 1 1 18 16366 2 2 8 ARG HG3 H -10.470 -7.019 -0.816 1.00 . B B . 308 ARG HG3 1 1 18 16367 2 2 8 ARG HH11 H -12.098 -5.752 -5.016 1.00 . B B . 308 ARG HH11 1 1 18 16368 2 2 8 ARG HH12 H -11.151 -5.573 -6.392 1.00 . B B . 308 ARG HH12 1 1 18 16369 2 2 8 ARG HH21 H -8.052 -6.335 -4.823 1.00 . B B . 308 ARG HH21 1 1 18 16370 2 2 8 ARG HH22 H -8.808 -5.898 -6.297 1.00 . B B . 308 ARG HH22 1 1 18 16371 2 2 8 ARG N N -13.532 -4.367 -0.424 1.00 . B B . 308 ARG N 1 1 18 16372 2 2 8 ARG NE N -10.189 -6.422 -3.413 1.00 . B B . 308 ARG NE 1 1 18 16373 2 2 8 ARG NH1 N -11.177 -5.788 -5.411 1.00 . B B . 308 ARG NH1 1 1 18 16374 2 2 8 ARG NH2 N -8.897 -6.108 -5.315 1.00 . B B . 308 ARG NH2 1 1 18 16375 2 2 8 ARG O O -15.967 -6.637 -0.830 1.00 . B B . 308 ARG O 1 1 18 16376 2 2 9 LYS C C -17.286 -5.866 2.108 1.00 . B B . 309 LYS C 1 1 18 16377 2 2 9 LYS CA C -16.217 -6.944 1.857 1.00 . B B . 309 LYS CA 1 1 18 16378 2 2 9 LYS CB C -15.794 -7.609 3.154 1.00 . B B . 309 LYS CB 1 1 18 16379 2 2 9 LYS CD C -16.313 -9.111 5.057 1.00 . B B . 309 LYS CD 1 1 18 16380 2 2 9 LYS CE C -17.282 -10.138 5.654 1.00 . B B . 309 LYS CE 1 1 18 16381 2 2 9 LYS CG C -16.886 -8.415 3.844 1.00 . B B . 309 LYS CG 1 1 18 16382 2 2 9 LYS H H -14.279 -6.098 1.723 1.00 . B B . 309 LYS H 1 1 18 16383 2 2 9 LYS HA H -16.632 -7.700 1.205 1.00 . B B . 309 LYS HA 1 1 18 16384 2 2 9 LYS HB2 H -14.982 -8.286 2.929 1.00 . B B . 309 LYS HB2 1 1 18 16385 2 2 9 LYS HB3 H -15.445 -6.845 3.833 1.00 . B B . 309 LYS HB3 1 1 18 16386 2 2 9 LYS HD2 H -15.396 -9.587 4.751 1.00 . B B . 309 LYS HD2 1 1 18 16387 2 2 9 LYS HD3 H -16.085 -8.354 5.796 1.00 . B B . 309 LYS HD3 1 1 18 16388 2 2 9 LYS HE2 H -17.551 -10.832 4.871 1.00 . B B . 309 LYS HE2 1 1 18 16389 2 2 9 LYS HE3 H -16.777 -10.675 6.440 1.00 . B B . 309 LYS HE3 1 1 18 16390 2 2 9 LYS HG2 H -17.678 -7.752 4.164 1.00 . B B . 309 LYS HG2 1 1 18 16391 2 2 9 LYS HG3 H -17.268 -9.156 3.158 1.00 . B B . 309 LYS HG3 1 1 18 16392 2 2 9 LYS HZ1 H -18.363 -8.927 7.010 1.00 . B B . 309 LYS HZ1 1 1 18 16393 2 2 9 LYS HZ2 H -19.117 -10.331 6.522 1.00 . B B . 309 LYS HZ2 1 1 18 16394 2 2 9 LYS HZ3 H -19.091 -9.032 5.481 1.00 . B B . 309 LYS HZ3 1 1 18 16395 2 2 9 LYS N N -15.047 -6.395 1.182 1.00 . B B . 309 LYS N 1 1 18 16396 2 2 9 LYS NZ N -18.528 -9.544 6.188 1.00 . B B . 309 LYS NZ 1 1 18 16397 3 3 1 ZN ZN ZN 8.798 0.035 -5.814 1.00 . C A . 53 ZN ZN 1 1 18 16398 4 3 1 ZN ZN ZN 0.269 -5.949 1.260 1.00 . D A . 54 ZN ZN 1 1 19 16399 1 1 1 SER C C -4.926 -8.684 -1.454 1.00 . A A . 1 SER C 1 1 19 16400 1 1 1 SER CA C -6.363 -8.813 -2.018 1.00 . A A . 1 SER CA 1 1 19 16401 1 1 1 SER CB C -7.081 -7.447 -2.012 1.00 . A A . 1 SER CB 1 1 19 16402 1 1 1 SER HA H -6.285 -9.179 -3.031 1.00 . A A . 1 SER HA 1 1 19 16403 1 1 1 SER HB2 H -7.140 -7.073 -1.000 1.00 . A A . 1 SER HB2 1 1 19 16404 1 1 1 SER HB3 H -6.535 -6.746 -2.628 1.00 . A A . 1 SER HB3 1 1 19 16405 1 1 1 SER HG H -8.435 -8.291 -3.154 1.00 . A A . 1 SER HG 1 1 19 16406 1 1 1 SER N N -7.154 -9.802 -1.231 1.00 . A A . 1 SER N 1 1 19 16407 1 1 1 SER O O -4.708 -8.123 -0.352 1.00 . A A . 1 SER O 1 1 19 16408 1 1 1 SER OG O -8.417 -7.558 -2.529 1.00 . A A . 1 SER OG 1 1 19 16409 1 1 2 VAL C C -1.803 -8.202 -2.629 1.00 . A A . 2 VAL C 1 1 19 16410 1 1 2 VAL CA C -2.580 -9.209 -1.793 1.00 . A A . 2 VAL CA 1 1 19 16411 1 1 2 VAL CB C -1.932 -10.616 -1.955 1.00 . A A . 2 VAL CB 1 1 19 16412 1 1 2 VAL CG1 C -0.516 -10.660 -1.343 1.00 . A A . 2 VAL CG1 1 1 19 16413 1 1 2 VAL CG2 C -2.817 -11.711 -1.368 1.00 . A A . 2 VAL CG2 1 1 19 16414 1 1 2 VAL H H -4.167 -9.553 -3.094 1.00 . A A . 2 VAL H 1 1 19 16415 1 1 2 VAL HA H -2.566 -8.927 -0.747 1.00 . A A . 2 VAL HA 1 1 19 16416 1 1 2 VAL HB H -1.822 -10.792 -3.014 1.00 . A A . 2 VAL HB 1 1 19 16417 1 1 2 VAL HG11 H -0.097 -11.647 -1.465 1.00 . A A . 2 VAL HG11 1 1 19 16418 1 1 2 VAL HG12 H -0.546 -10.415 -0.290 1.00 . A A . 2 VAL HG12 1 1 19 16419 1 1 2 VAL HG13 H 0.124 -9.939 -1.834 1.00 . A A . 2 VAL HG13 1 1 19 16420 1 1 2 VAL HG21 H -3.756 -11.747 -1.902 1.00 . A A . 2 VAL HG21 1 1 19 16421 1 1 2 VAL HG22 H -3.000 -11.518 -0.323 1.00 . A A . 2 VAL HG22 1 1 19 16422 1 1 2 VAL HG23 H -2.316 -12.663 -1.481 1.00 . A A . 2 VAL HG23 1 1 19 16423 1 1 2 VAL N N -3.962 -9.190 -2.205 1.00 . A A . 2 VAL N 1 1 19 16424 1 1 2 VAL O O -2.082 -8.013 -3.804 1.00 . A A . 2 VAL O 1 1 19 16425 1 1 3 CYS C C 1.312 -7.170 -2.847 1.00 . A A . 3 CYS C 1 1 19 16426 1 1 3 CYS CA C -0.060 -6.538 -2.632 1.00 . A A . 3 CYS CA 1 1 19 16427 1 1 3 CYS CB C 0.123 -5.404 -1.677 1.00 . A A . 3 CYS CB 1 1 19 16428 1 1 3 CYS H H -0.682 -7.781 -1.076 1.00 . A A . 3 CYS H 1 1 19 16429 1 1 3 CYS HA H -0.496 -6.196 -3.559 1.00 . A A . 3 CYS HA 1 1 19 16430 1 1 3 CYS HB2 H 0.410 -4.526 -2.236 1.00 . A A . 3 CYS HB2 1 1 19 16431 1 1 3 CYS HB3 H -0.798 -5.203 -1.153 1.00 . A A . 3 CYS HB3 1 1 19 16432 1 1 3 CYS N N -0.879 -7.548 -2.006 1.00 . A A . 3 CYS N 1 1 19 16433 1 1 3 CYS O O 1.518 -8.305 -2.419 1.00 . A A . 3 CYS O 1 1 19 16434 1 1 3 CYS SG S 1.381 -5.769 -0.456 1.00 . A A . 3 CYS SG 1 1 19 16435 1 1 4 ALA C C 4.555 -6.570 -2.557 1.00 . A A . 4 ALA C 1 1 19 16436 1 1 4 ALA CA C 3.551 -7.110 -3.589 1.00 . A A . 4 ALA CA 1 1 19 16437 1 1 4 ALA CB C 4.099 -6.960 -4.986 1.00 . A A . 4 ALA CB 1 1 19 16438 1 1 4 ALA H H 1.975 -5.587 -3.784 1.00 . A A . 4 ALA H 1 1 19 16439 1 1 4 ALA HA H 3.389 -8.162 -3.404 1.00 . A A . 4 ALA HA 1 1 19 16440 1 1 4 ALA HB1 H 4.337 -5.916 -5.139 1.00 . A A . 4 ALA HB1 1 1 19 16441 1 1 4 ALA HB2 H 3.344 -7.262 -5.696 1.00 . A A . 4 ALA HB2 1 1 19 16442 1 1 4 ALA HB3 H 4.989 -7.559 -5.086 1.00 . A A . 4 ALA HB3 1 1 19 16443 1 1 4 ALA N N 2.254 -6.481 -3.484 1.00 . A A . 4 ALA N 1 1 19 16444 1 1 4 ALA O O 5.465 -5.814 -2.871 1.00 . A A . 4 ALA O 1 1 19 16445 1 1 5 ALA C C 5.749 -8.162 0.258 1.00 . A A . 5 ALA C 1 1 19 16446 1 1 5 ALA CA C 5.306 -6.789 -0.255 1.00 . A A . 5 ALA CA 1 1 19 16447 1 1 5 ALA CB C 4.834 -5.867 0.877 1.00 . A A . 5 ALA CB 1 1 19 16448 1 1 5 ALA H H 3.330 -6.856 -1.218 1.00 . A A . 5 ALA H 1 1 19 16449 1 1 5 ALA HA H 6.166 -6.331 -0.727 1.00 . A A . 5 ALA HA 1 1 19 16450 1 1 5 ALA HB1 H 5.647 -5.669 1.560 1.00 . A A . 5 ALA HB1 1 1 19 16451 1 1 5 ALA HB2 H 4.016 -6.307 1.428 1.00 . A A . 5 ALA HB2 1 1 19 16452 1 1 5 ALA HB3 H 4.497 -4.929 0.457 1.00 . A A . 5 ALA HB3 1 1 19 16453 1 1 5 ALA N N 4.296 -6.903 -1.301 1.00 . A A . 5 ALA N 1 1 19 16454 1 1 5 ALA O O 4.919 -9.047 0.509 1.00 . A A . 5 ALA O 1 1 19 16455 1 1 6 GLN C C 7.125 -10.299 1.983 1.00 . A A . 6 GLN C 1 1 19 16456 1 1 6 GLN CA C 7.738 -9.577 0.782 1.00 . A A . 6 GLN CA 1 1 19 16457 1 1 6 GLN CB C 9.241 -9.346 0.983 1.00 . A A . 6 GLN CB 1 1 19 16458 1 1 6 GLN CD C 9.792 -9.891 -1.422 1.00 . A A . 6 GLN CD 1 1 19 16459 1 1 6 GLN CG C 9.947 -8.883 -0.291 1.00 . A A . 6 GLN CG 1 1 19 16460 1 1 6 GLN H H 7.617 -7.545 0.142 1.00 . A A . 6 GLN H 1 1 19 16461 1 1 6 GLN HA H 7.632 -10.249 -0.055 1.00 . A A . 6 GLN HA 1 1 19 16462 1 1 6 GLN HB2 H 9.371 -8.592 1.746 1.00 . A A . 6 GLN HB2 1 1 19 16463 1 1 6 GLN HB3 H 9.695 -10.264 1.326 1.00 . A A . 6 GLN HB3 1 1 19 16464 1 1 6 GLN HE21 H 9.786 -8.444 -2.792 1.00 . A A . 6 GLN HE21 1 1 19 16465 1 1 6 GLN HE22 H 9.601 -10.043 -3.379 1.00 . A A . 6 GLN HE22 1 1 19 16466 1 1 6 GLN HG2 H 9.533 -7.936 -0.606 1.00 . A A . 6 GLN HG2 1 1 19 16467 1 1 6 GLN HG3 H 10.995 -8.761 -0.079 1.00 . A A . 6 GLN HG3 1 1 19 16468 1 1 6 GLN N N 7.064 -8.318 0.384 1.00 . A A . 6 GLN N 1 1 19 16469 1 1 6 GLN NE2 N 9.733 -9.412 -2.639 1.00 . A A . 6 GLN NE2 1 1 19 16470 1 1 6 GLN O O 6.899 -11.513 1.922 1.00 . A A . 6 GLN O 1 1 19 16471 1 1 6 GLN OE1 O 9.708 -11.097 -1.183 1.00 . A A . 6 GLN OE1 1 1 19 16472 1 1 7 ASN C C 4.919 -9.562 4.482 1.00 . A A . 7 ASN C 1 1 19 16473 1 1 7 ASN CA C 6.242 -10.242 4.204 1.00 . A A . 7 ASN CA 1 1 19 16474 1 1 7 ASN CB C 7.174 -10.311 5.454 1.00 . A A . 7 ASN CB 1 1 19 16475 1 1 7 ASN CG C 6.613 -11.168 6.615 1.00 . A A . 7 ASN CG 1 1 19 16476 1 1 7 ASN H H 7.138 -8.653 3.119 1.00 . A A . 7 ASN H 1 1 19 16477 1 1 7 ASN HA H 6.004 -11.244 3.883 1.00 . A A . 7 ASN HA 1 1 19 16478 1 1 7 ASN HB2 H 8.134 -10.706 5.161 1.00 . A A . 7 ASN HB2 1 1 19 16479 1 1 7 ASN HB3 H 7.325 -9.307 5.827 1.00 . A A . 7 ASN HB3 1 1 19 16480 1 1 7 ASN HD21 H 8.445 -11.729 7.127 1.00 . A A . 7 ASN HD21 1 1 19 16481 1 1 7 ASN HD22 H 7.178 -12.391 8.076 1.00 . A A . 7 ASN HD22 1 1 19 16482 1 1 7 ASN N N 6.883 -9.600 3.070 1.00 . A A . 7 ASN N 1 1 19 16483 1 1 7 ASN ND2 N 7.494 -11.819 7.343 1.00 . A A . 7 ASN ND2 1 1 19 16484 1 1 7 ASN O O 4.782 -8.752 5.406 1.00 . A A . 7 ASN O 1 1 19 16485 1 1 7 ASN OD1 O 5.410 -11.256 6.837 1.00 . A A . 7 ASN OD1 1 1 19 16486 1 1 8 CYS C C 1.629 -10.223 4.179 1.00 . A A . 8 CYS C 1 1 19 16487 1 1 8 CYS CA C 2.700 -9.215 3.655 1.00 . A A . 8 CYS CA 1 1 19 16488 1 1 8 CYS CB C 2.244 -8.590 2.336 1.00 . A A . 8 CYS CB 1 1 19 16489 1 1 8 CYS H H 4.319 -10.319 2.810 1.00 . A A . 8 CYS H 1 1 19 16490 1 1 8 CYS HA H 2.775 -8.420 4.382 1.00 . A A . 8 CYS HA 1 1 19 16491 1 1 8 CYS HB2 H 2.897 -7.794 2.019 1.00 . A A . 8 CYS HB2 1 1 19 16492 1 1 8 CYS HB3 H 2.236 -9.348 1.566 1.00 . A A . 8 CYS HB3 1 1 19 16493 1 1 8 CYS N N 4.017 -9.758 3.558 1.00 . A A . 8 CYS N 1 1 19 16494 1 1 8 CYS O O 1.725 -11.442 3.963 1.00 . A A . 8 CYS O 1 1 19 16495 1 1 8 CYS SG S 0.580 -7.945 2.452 1.00 . A A . 8 CYS SG 1 1 19 16496 1 1 9 GLN C C -1.749 -9.860 4.371 1.00 . A A . 9 GLN C 1 1 19 16497 1 1 9 GLN CA C -0.571 -10.381 5.221 1.00 . A A . 9 GLN CA 1 1 19 16498 1 1 9 GLN CB C -0.891 -10.280 6.721 1.00 . A A . 9 GLN CB 1 1 19 16499 1 1 9 GLN CD C -0.254 -10.918 9.094 1.00 . A A . 9 GLN CD 1 1 19 16500 1 1 9 GLN CG C 0.183 -10.853 7.637 1.00 . A A . 9 GLN CG 1 1 19 16501 1 1 9 GLN H H 0.902 -8.730 4.971 1.00 . A A . 9 GLN H 1 1 19 16502 1 1 9 GLN HA H -0.410 -11.413 4.945 1.00 . A A . 9 GLN HA 1 1 19 16503 1 1 9 GLN HB2 H -1.028 -9.236 6.963 1.00 . A A . 9 GLN HB2 1 1 19 16504 1 1 9 GLN HB3 H -1.816 -10.800 6.916 1.00 . A A . 9 GLN HB3 1 1 19 16505 1 1 9 GLN HE21 H 0.906 -12.497 9.399 1.00 . A A . 9 GLN HE21 1 1 19 16506 1 1 9 GLN HE22 H 0.023 -11.959 10.768 1.00 . A A . 9 GLN HE22 1 1 19 16507 1 1 9 GLN HG2 H 0.416 -11.859 7.319 1.00 . A A . 9 GLN HG2 1 1 19 16508 1 1 9 GLN HG3 H 1.070 -10.239 7.566 1.00 . A A . 9 GLN HG3 1 1 19 16509 1 1 9 GLN N N 0.634 -9.664 4.848 1.00 . A A . 9 GLN N 1 1 19 16510 1 1 9 GLN NE2 N 0.273 -11.881 9.823 1.00 . A A . 9 GLN NE2 1 1 19 16511 1 1 9 GLN O O -1.811 -8.665 4.025 1.00 . A A . 9 GLN O 1 1 19 16512 1 1 9 GLN OE1 O -1.067 -10.111 9.559 1.00 . A A . 9 GLN OE1 1 1 19 16513 1 1 10 ARG C C -5.008 -10.136 4.123 1.00 . A A . 10 ARG C 1 1 19 16514 1 1 10 ARG CA C -3.808 -10.470 3.235 1.00 . A A . 10 ARG CA 1 1 19 16515 1 1 10 ARG CB C -4.133 -11.705 2.384 1.00 . A A . 10 ARG CB 1 1 19 16516 1 1 10 ARG CD C -5.694 -12.887 0.829 1.00 . A A . 10 ARG CD 1 1 19 16517 1 1 10 ARG CG C -5.425 -11.602 1.579 1.00 . A A . 10 ARG CG 1 1 19 16518 1 1 10 ARG CZ C -7.363 -13.809 -0.753 1.00 . A A . 10 ARG CZ 1 1 19 16519 1 1 10 ARG H H -2.689 -11.639 4.410 1.00 . A A . 10 ARG H 1 1 19 16520 1 1 10 ARG HA H -3.580 -9.646 2.578 1.00 . A A . 10 ARG HA 1 1 19 16521 1 1 10 ARG HB2 H -3.321 -11.878 1.694 1.00 . A A . 10 ARG HB2 1 1 19 16522 1 1 10 ARG HB3 H -4.214 -12.555 3.044 1.00 . A A . 10 ARG HB3 1 1 19 16523 1 1 10 ARG HD2 H -4.918 -13.027 0.092 1.00 . A A . 10 ARG HD2 1 1 19 16524 1 1 10 ARG HD3 H -5.668 -13.712 1.526 1.00 . A A . 10 ARG HD3 1 1 19 16525 1 1 10 ARG HE H -7.604 -12.155 0.387 1.00 . A A . 10 ARG HE 1 1 19 16526 1 1 10 ARG HG2 H -6.253 -11.411 2.245 1.00 . A A . 10 ARG HG2 1 1 19 16527 1 1 10 ARG HG3 H -5.322 -10.795 0.868 1.00 . A A . 10 ARG HG3 1 1 19 16528 1 1 10 ARG HH11 H -5.595 -14.842 -0.690 1.00 . A A . 10 ARG HH11 1 1 19 16529 1 1 10 ARG HH12 H -6.782 -15.482 -1.736 1.00 . A A . 10 ARG HH12 1 1 19 16530 1 1 10 ARG HH21 H -9.269 -13.074 -1.088 1.00 . A A . 10 ARG HH21 1 1 19 16531 1 1 10 ARG HH22 H -8.874 -14.450 -2.003 1.00 . A A . 10 ARG HH22 1 1 19 16532 1 1 10 ARG N N -2.662 -10.737 4.052 1.00 . A A . 10 ARG N 1 1 19 16533 1 1 10 ARG NE N -6.989 -12.879 0.141 1.00 . A A . 10 ARG NE 1 1 19 16534 1 1 10 ARG NH1 N -6.518 -14.770 -1.079 1.00 . A A . 10 ARG NH1 1 1 19 16535 1 1 10 ARG NH2 N -8.583 -13.772 -1.311 1.00 . A A . 10 ARG NH2 1 1 19 16536 1 1 10 ARG O O -5.599 -11.024 4.743 1.00 . A A . 10 ARG O 1 1 19 16537 1 1 11 PRO C C -7.849 -8.660 4.371 1.00 . A A . 11 PRO C 1 1 19 16538 1 1 11 PRO CA C -6.480 -8.443 5.043 1.00 . A A . 11 PRO CA 1 1 19 16539 1 1 11 PRO CB C -6.203 -6.958 5.284 1.00 . A A . 11 PRO CB 1 1 19 16540 1 1 11 PRO CD C -4.700 -7.750 3.542 1.00 . A A . 11 PRO CD 1 1 19 16541 1 1 11 PRO CG C -5.335 -6.516 4.137 1.00 . A A . 11 PRO CG 1 1 19 16542 1 1 11 PRO HA H -6.470 -8.965 5.990 1.00 . A A . 11 PRO HA 1 1 19 16543 1 1 11 PRO HB2 H -7.132 -6.412 5.333 1.00 . A A . 11 PRO HB2 1 1 19 16544 1 1 11 PRO HB3 H -5.694 -6.845 6.227 1.00 . A A . 11 PRO HB3 1 1 19 16545 1 1 11 PRO HD2 H -4.860 -7.794 2.474 1.00 . A A . 11 PRO HD2 1 1 19 16546 1 1 11 PRO HD3 H -3.642 -7.748 3.758 1.00 . A A . 11 PRO HD3 1 1 19 16547 1 1 11 PRO HG2 H -5.941 -6.039 3.384 1.00 . A A . 11 PRO HG2 1 1 19 16548 1 1 11 PRO HG3 H -4.573 -5.831 4.477 1.00 . A A . 11 PRO HG3 1 1 19 16549 1 1 11 PRO N N -5.368 -8.866 4.213 1.00 . A A . 11 PRO N 1 1 19 16550 1 1 11 PRO O O -8.698 -9.342 4.918 1.00 . A A . 11 PRO O 1 1 19 16551 1 1 12 CYS C C -10.553 -7.828 3.187 1.00 . A A . 12 CYS C 1 1 19 16552 1 1 12 CYS CA C -9.288 -8.158 2.367 1.00 . A A . 12 CYS CA 1 1 19 16553 1 1 12 CYS CB C -9.405 -9.515 1.611 1.00 . A A . 12 CYS CB 1 1 19 16554 1 1 12 CYS H H -7.286 -7.544 2.818 1.00 . A A . 12 CYS H 1 1 19 16555 1 1 12 CYS HA H -9.211 -7.366 1.637 1.00 . A A . 12 CYS HA 1 1 19 16556 1 1 12 CYS HB2 H -10.364 -9.551 1.114 1.00 . A A . 12 CYS HB2 1 1 19 16557 1 1 12 CYS HB3 H -8.624 -9.565 0.867 1.00 . A A . 12 CYS HB3 1 1 19 16558 1 1 12 CYS HG H -9.448 -10.550 3.864 1.00 . A A . 12 CYS HG 1 1 19 16559 1 1 12 CYS N N -8.034 -8.065 3.170 1.00 . A A . 12 CYS N 1 1 19 16560 1 1 12 CYS O O -11.652 -8.305 2.882 1.00 . A A . 12 CYS O 1 1 19 16561 1 1 12 CYS SG S -9.311 -11.011 2.626 1.00 . A A . 12 CYS SG 1 1 19 16562 1 1 13 LYS C C -12.351 -5.498 4.356 1.00 . A A . 13 LYS C 1 1 19 16563 1 1 13 LYS CA C -11.474 -6.548 5.048 1.00 . A A . 13 LYS CA 1 1 19 16564 1 1 13 LYS CB C -10.939 -6.002 6.382 1.00 . A A . 13 LYS CB 1 1 19 16565 1 1 13 LYS CD C -9.854 -6.420 8.572 1.00 . A A . 13 LYS CD 1 1 19 16566 1 1 13 LYS CE C -9.333 -7.475 9.487 1.00 . A A . 13 LYS CE 1 1 19 16567 1 1 13 LYS CG C -10.232 -7.021 7.232 1.00 . A A . 13 LYS CG 1 1 19 16568 1 1 13 LYS H H -9.492 -6.606 4.348 1.00 . A A . 13 LYS H 1 1 19 16569 1 1 13 LYS HA H -12.070 -7.424 5.253 1.00 . A A . 13 LYS HA 1 1 19 16570 1 1 13 LYS HB2 H -10.262 -5.183 6.210 1.00 . A A . 13 LYS HB2 1 1 19 16571 1 1 13 LYS HB3 H -11.757 -5.628 6.980 1.00 . A A . 13 LYS HB3 1 1 19 16572 1 1 13 LYS HD2 H -9.075 -5.686 8.421 1.00 . A A . 13 LYS HD2 1 1 19 16573 1 1 13 LYS HD3 H -10.717 -5.945 9.014 1.00 . A A . 13 LYS HD3 1 1 19 16574 1 1 13 LYS HE2 H -10.113 -8.219 9.514 1.00 . A A . 13 LYS HE2 1 1 19 16575 1 1 13 LYS HE3 H -8.428 -7.895 9.072 1.00 . A A . 13 LYS HE3 1 1 19 16576 1 1 13 LYS HG2 H -10.893 -7.861 7.392 1.00 . A A . 13 LYS HG2 1 1 19 16577 1 1 13 LYS HG3 H -9.336 -7.347 6.727 1.00 . A A . 13 LYS HG3 1 1 19 16578 1 1 13 LYS HZ1 H -8.445 -6.147 10.879 1.00 . A A . 13 LYS HZ1 1 1 19 16579 1 1 13 LYS HZ2 H -8.684 -7.720 11.421 1.00 . A A . 13 LYS HZ2 1 1 19 16580 1 1 13 LYS HZ3 H -9.985 -6.678 11.298 1.00 . A A . 13 LYS HZ3 1 1 19 16581 1 1 13 LYS N N -10.385 -6.967 4.189 1.00 . A A . 13 LYS N 1 1 19 16582 1 1 13 LYS NZ N -9.093 -6.960 10.843 1.00 . A A . 13 LYS NZ 1 1 19 16583 1 1 13 LYS O O -12.260 -5.311 3.135 1.00 . A A . 13 LYS O 1 1 19 16584 1 1 14 ASP C C -13.490 -2.756 3.813 1.00 . A A . 14 ASP C 1 1 19 16585 1 1 14 ASP CA C -14.149 -3.835 4.642 1.00 . A A . 14 ASP CA 1 1 19 16586 1 1 14 ASP CB C -14.956 -3.201 5.782 1.00 . A A . 14 ASP CB 1 1 19 16587 1 1 14 ASP CG C -15.834 -4.204 6.494 1.00 . A A . 14 ASP CG 1 1 19 16588 1 1 14 ASP H H -13.114 -4.931 6.122 1.00 . A A . 14 ASP H 1 1 19 16589 1 1 14 ASP HA H -14.837 -4.369 4.004 1.00 . A A . 14 ASP HA 1 1 19 16590 1 1 14 ASP HB2 H -14.272 -2.787 6.508 1.00 . A A . 14 ASP HB2 1 1 19 16591 1 1 14 ASP HB3 H -15.582 -2.420 5.375 1.00 . A A . 14 ASP HB3 1 1 19 16592 1 1 14 ASP N N -13.182 -4.809 5.150 1.00 . A A . 14 ASP N 1 1 19 16593 1 1 14 ASP O O -14.003 -2.382 2.784 1.00 . A A . 14 ASP O 1 1 19 16594 1 1 14 ASP OD1 O -16.991 -4.399 6.070 1.00 . A A . 14 ASP OD1 1 1 19 16595 1 1 14 ASP OD2 O -15.376 -4.803 7.459 1.00 . A A . 14 ASP OD2 1 1 19 16596 1 1 15 LYS C C -10.124 -1.334 4.021 1.00 . A A . 15 LYS C 1 1 19 16597 1 1 15 LYS CA C -11.558 -1.242 3.583 1.00 . A A . 15 LYS CA 1 1 19 16598 1 1 15 LYS CB C -12.088 0.165 3.849 1.00 . A A . 15 LYS CB 1 1 19 16599 1 1 15 LYS CD C -13.972 1.810 3.518 1.00 . A A . 15 LYS CD 1 1 19 16600 1 1 15 LYS CE C -14.678 1.570 4.837 1.00 . A A . 15 LYS CE 1 1 19 16601 1 1 15 LYS CG C -13.312 0.537 3.032 1.00 . A A . 15 LYS CG 1 1 19 16602 1 1 15 LYS H H -11.984 -2.562 5.132 1.00 . A A . 15 LYS H 1 1 19 16603 1 1 15 LYS HA H -11.624 -1.457 2.528 1.00 . A A . 15 LYS HA 1 1 19 16604 1 1 15 LYS HB2 H -12.336 0.226 4.896 1.00 . A A . 15 LYS HB2 1 1 19 16605 1 1 15 LYS HB3 H -11.307 0.883 3.632 1.00 . A A . 15 LYS HB3 1 1 19 16606 1 1 15 LYS HD2 H -13.211 2.567 3.655 1.00 . A A . 15 LYS HD2 1 1 19 16607 1 1 15 LYS HD3 H -14.687 2.142 2.781 1.00 . A A . 15 LYS HD3 1 1 19 16608 1 1 15 LYS HE2 H -13.954 1.089 5.475 1.00 . A A . 15 LYS HE2 1 1 19 16609 1 1 15 LYS HE3 H -15.034 2.495 5.269 1.00 . A A . 15 LYS HE3 1 1 19 16610 1 1 15 LYS HG2 H -12.992 0.672 2.011 1.00 . A A . 15 LYS HG2 1 1 19 16611 1 1 15 LYS HG3 H -14.017 -0.281 3.075 1.00 . A A . 15 LYS HG3 1 1 19 16612 1 1 15 LYS HZ1 H -16.524 0.993 4.070 1.00 . A A . 15 LYS HZ1 1 1 19 16613 1 1 15 LYS HZ2 H -16.262 0.466 5.622 1.00 . A A . 15 LYS HZ2 1 1 19 16614 1 1 15 LYS HZ3 H -15.513 -0.312 4.322 1.00 . A A . 15 LYS HZ3 1 1 19 16615 1 1 15 LYS N N -12.357 -2.256 4.279 1.00 . A A . 15 LYS N 1 1 19 16616 1 1 15 LYS NZ N -15.797 0.609 4.703 1.00 . A A . 15 LYS NZ 1 1 19 16617 1 1 15 LYS O O -9.858 -1.402 5.208 1.00 . A A . 15 LYS O 1 1 19 16618 1 1 16 VAL C C -7.019 -0.464 2.488 1.00 . A A . 16 VAL C 1 1 19 16619 1 1 16 VAL CA C -7.784 -1.447 3.375 1.00 . A A . 16 VAL CA 1 1 19 16620 1 1 16 VAL CB C -7.200 -2.891 3.198 1.00 . A A . 16 VAL CB 1 1 19 16621 1 1 16 VAL CG1 C -7.914 -3.888 4.093 1.00 . A A . 16 VAL CG1 1 1 19 16622 1 1 16 VAL CG2 C -7.268 -3.347 1.750 1.00 . A A . 16 VAL CG2 1 1 19 16623 1 1 16 VAL H H -9.485 -1.333 2.132 1.00 . A A . 16 VAL H 1 1 19 16624 1 1 16 VAL HA H -7.661 -1.129 4.401 1.00 . A A . 16 VAL HA 1 1 19 16625 1 1 16 VAL HB H -6.162 -2.862 3.500 1.00 . A A . 16 VAL HB 1 1 19 16626 1 1 16 VAL HG11 H -7.497 -4.870 3.935 1.00 . A A . 16 VAL HG11 1 1 19 16627 1 1 16 VAL HG12 H -8.963 -3.902 3.844 1.00 . A A . 16 VAL HG12 1 1 19 16628 1 1 16 VAL HG13 H -7.787 -3.602 5.127 1.00 . A A . 16 VAL HG13 1 1 19 16629 1 1 16 VAL HG21 H -6.830 -4.329 1.652 1.00 . A A . 16 VAL HG21 1 1 19 16630 1 1 16 VAL HG22 H -6.716 -2.639 1.147 1.00 . A A . 16 VAL HG22 1 1 19 16631 1 1 16 VAL HG23 H -8.301 -3.381 1.435 1.00 . A A . 16 VAL HG23 1 1 19 16632 1 1 16 VAL N N -9.212 -1.372 3.073 1.00 . A A . 16 VAL N 1 1 19 16633 1 1 16 VAL O O -7.378 -0.270 1.318 1.00 . A A . 16 VAL O 1 1 19 16634 1 1 17 ASP C C -4.000 0.636 1.613 1.00 . A A . 17 ASP C 1 1 19 16635 1 1 17 ASP CA C -5.228 1.186 2.340 1.00 . A A . 17 ASP CA 1 1 19 16636 1 1 17 ASP CB C -4.818 2.290 3.311 1.00 . A A . 17 ASP CB 1 1 19 16637 1 1 17 ASP CG C -6.004 2.900 4.026 1.00 . A A . 17 ASP CG 1 1 19 16638 1 1 17 ASP H H -5.745 -0.096 3.958 1.00 . A A . 17 ASP H 1 1 19 16639 1 1 17 ASP HA H -5.887 1.612 1.601 1.00 . A A . 17 ASP HA 1 1 19 16640 1 1 17 ASP HB2 H -4.148 1.871 4.048 1.00 . A A . 17 ASP HB2 1 1 19 16641 1 1 17 ASP HB3 H -4.304 3.067 2.763 1.00 . A A . 17 ASP HB3 1 1 19 16642 1 1 17 ASP N N -5.989 0.141 3.040 1.00 . A A . 17 ASP N 1 1 19 16643 1 1 17 ASP O O -3.345 -0.330 2.082 1.00 . A A . 17 ASP O 1 1 19 16644 1 1 17 ASP OD1 O -6.683 3.768 3.451 1.00 . A A . 17 ASP OD1 1 1 19 16645 1 1 17 ASP OD2 O -6.272 2.508 5.173 1.00 . A A . 17 ASP OD2 1 1 19 16646 1 1 18 TRP C C -1.697 2.061 -0.762 1.00 . A A . 18 TRP C 1 1 19 16647 1 1 18 TRP CA C -2.576 0.850 -0.406 1.00 . A A . 18 TRP CA 1 1 19 16648 1 1 18 TRP CB C -3.141 0.337 -1.737 1.00 . A A . 18 TRP CB 1 1 19 16649 1 1 18 TRP CD1 C -5.359 -0.746 -1.118 1.00 . A A . 18 TRP CD1 1 1 19 16650 1 1 18 TRP CD2 C -4.018 -2.051 -2.284 1.00 . A A . 18 TRP CD2 1 1 19 16651 1 1 18 TRP CE2 C -5.173 -2.765 -1.993 1.00 . A A . 18 TRP CE2 1 1 19 16652 1 1 18 TRP CE3 C -3.045 -2.645 -3.026 1.00 . A A . 18 TRP CE3 1 1 19 16653 1 1 18 TRP CG C -4.135 -0.780 -1.674 1.00 . A A . 18 TRP CG 1 1 19 16654 1 1 18 TRP CH2 C -4.376 -4.632 -3.176 1.00 . A A . 18 TRP CH2 1 1 19 16655 1 1 18 TRP CZ2 C -5.372 -4.065 -2.430 1.00 . A A . 18 TRP CZ2 1 1 19 16656 1 1 18 TRP CZ3 C -3.222 -3.930 -3.474 1.00 . A A . 18 TRP CZ3 1 1 19 16657 1 1 18 TRP H H -4.211 2.049 0.217 1.00 . A A . 18 TRP H 1 1 19 16658 1 1 18 TRP HA H -1.991 0.069 0.055 1.00 . A A . 18 TRP HA 1 1 19 16659 1 1 18 TRP HB2 H -3.657 1.179 -2.165 1.00 . A A . 18 TRP HB2 1 1 19 16660 1 1 18 TRP HB3 H -2.351 0.063 -2.422 1.00 . A A . 18 TRP HB3 1 1 19 16661 1 1 18 TRP HD1 H -5.716 0.134 -0.605 1.00 . A A . 18 TRP HD1 1 1 19 16662 1 1 18 TRP HE1 H -6.860 -2.207 -0.920 1.00 . A A . 18 TRP HE1 1 1 19 16663 1 1 18 TRP HE3 H -2.174 -2.062 -3.237 1.00 . A A . 18 TRP HE3 1 1 19 16664 1 1 18 TRP HH2 H -4.463 -5.632 -3.566 1.00 . A A . 18 TRP HH2 1 1 19 16665 1 1 18 TRP HZ2 H -6.271 -4.612 -2.195 1.00 . A A . 18 TRP HZ2 1 1 19 16666 1 1 18 TRP HZ3 H -2.458 -4.411 -4.067 1.00 . A A . 18 TRP HZ3 1 1 19 16667 1 1 18 TRP N N -3.679 1.266 0.479 1.00 . A A . 18 TRP N 1 1 19 16668 1 1 18 TRP NE1 N -5.968 -1.954 -1.258 1.00 . A A . 18 TRP NE1 1 1 19 16669 1 1 18 TRP O O -2.156 3.229 -0.681 1.00 . A A . 18 TRP O 1 1 19 16670 1 1 19 VAL C C 1.204 2.268 -2.852 1.00 . A A . 19 VAL C 1 1 19 16671 1 1 19 VAL CA C 0.483 2.834 -1.652 1.00 . A A . 19 VAL CA 1 1 19 16672 1 1 19 VAL CB C 1.633 3.126 -0.672 1.00 . A A . 19 VAL CB 1 1 19 16673 1 1 19 VAL CG1 C 2.281 4.479 -0.888 1.00 . A A . 19 VAL CG1 1 1 19 16674 1 1 19 VAL CG2 C 1.334 2.827 0.744 1.00 . A A . 19 VAL CG2 1 1 19 16675 1 1 19 VAL H H -0.033 0.899 -1.219 1.00 . A A . 19 VAL H 1 1 19 16676 1 1 19 VAL HA H -0.037 3.748 -1.898 1.00 . A A . 19 VAL HA 1 1 19 16677 1 1 19 VAL HB H 2.392 2.436 -1.001 1.00 . A A . 19 VAL HB 1 1 19 16678 1 1 19 VAL HG11 H 2.698 4.520 -1.883 1.00 . A A . 19 VAL HG11 1 1 19 16679 1 1 19 VAL HG12 H 3.059 4.637 -0.155 1.00 . A A . 19 VAL HG12 1 1 19 16680 1 1 19 VAL HG13 H 1.536 5.253 -0.793 1.00 . A A . 19 VAL HG13 1 1 19 16681 1 1 19 VAL HG21 H 0.418 3.308 1.050 1.00 . A A . 19 VAL HG21 1 1 19 16682 1 1 19 VAL HG22 H 2.174 3.159 1.330 1.00 . A A . 19 VAL HG22 1 1 19 16683 1 1 19 VAL HG23 H 1.289 1.749 0.796 1.00 . A A . 19 VAL HG23 1 1 19 16684 1 1 19 VAL N N -0.441 1.792 -1.180 1.00 . A A . 19 VAL N 1 1 19 16685 1 1 19 VAL O O 1.500 1.071 -2.872 1.00 . A A . 19 VAL O 1 1 19 16686 1 1 20 GLN C C 3.634 3.267 -4.792 1.00 . A A . 20 GLN C 1 1 19 16687 1 1 20 GLN CA C 2.266 2.666 -4.947 1.00 . A A . 20 GLN CA 1 1 19 16688 1 1 20 GLN CB C 1.677 3.143 -6.251 1.00 . A A . 20 GLN CB 1 1 19 16689 1 1 20 GLN CD C 1.189 2.530 -8.656 1.00 . A A . 20 GLN CD 1 1 19 16690 1 1 20 GLN CG C 1.724 2.071 -7.327 1.00 . A A . 20 GLN CG 1 1 19 16691 1 1 20 GLN H H 1.011 3.956 -3.817 1.00 . A A . 20 GLN H 1 1 19 16692 1 1 20 GLN HA H 2.331 1.589 -4.954 1.00 . A A . 20 GLN HA 1 1 19 16693 1 1 20 GLN HB2 H 0.677 3.501 -6.058 1.00 . A A . 20 GLN HB2 1 1 19 16694 1 1 20 GLN HB3 H 2.258 3.991 -6.588 1.00 . A A . 20 GLN HB3 1 1 19 16695 1 1 20 GLN HE21 H 2.234 1.129 -9.553 1.00 . A A . 20 GLN HE21 1 1 19 16696 1 1 20 GLN HE22 H 1.273 2.091 -10.599 1.00 . A A . 20 GLN HE22 1 1 19 16697 1 1 20 GLN HG2 H 2.750 1.769 -7.483 1.00 . A A . 20 GLN HG2 1 1 19 16698 1 1 20 GLN HG3 H 1.141 1.226 -6.997 1.00 . A A . 20 GLN HG3 1 1 19 16699 1 1 20 GLN N N 1.456 3.080 -3.837 1.00 . A A . 20 GLN N 1 1 19 16700 1 1 20 GLN NE2 N 1.600 1.864 -9.705 1.00 . A A . 20 GLN NE2 1 1 19 16701 1 1 20 GLN O O 3.745 4.404 -4.363 1.00 . A A . 20 GLN O 1 1 19 16702 1 1 20 GLN OE1 O 0.348 3.418 -8.728 1.00 . A A . 20 GLN OE1 1 1 19 16703 1 1 21 CYS C C 6.229 4.089 -6.155 1.00 . A A . 21 CYS C 1 1 19 16704 1 1 21 CYS CA C 6.028 3.032 -5.052 1.00 . A A . 21 CYS CA 1 1 19 16705 1 1 21 CYS CB C 7.052 1.901 -5.298 1.00 . A A . 21 CYS CB 1 1 19 16706 1 1 21 CYS H H 4.646 1.570 -5.368 1.00 . A A . 21 CYS H 1 1 19 16707 1 1 21 CYS HA H 6.213 3.461 -4.079 1.00 . A A . 21 CYS HA 1 1 19 16708 1 1 21 CYS HB2 H 6.836 1.043 -4.686 1.00 . A A . 21 CYS HB2 1 1 19 16709 1 1 21 CYS HB3 H 6.918 1.586 -6.324 1.00 . A A . 21 CYS HB3 1 1 19 16710 1 1 21 CYS N N 4.671 2.510 -5.094 1.00 . A A . 21 CYS N 1 1 19 16711 1 1 21 CYS O O 6.041 3.781 -7.335 1.00 . A A . 21 CYS O 1 1 19 16712 1 1 21 CYS SG S 8.759 2.485 -5.143 1.00 . A A . 21 CYS SG 1 1 19 16713 1 1 22 ASP C C 8.286 6.229 -7.428 1.00 . A A . 22 ASP C 1 1 19 16714 1 1 22 ASP CA C 6.925 6.419 -6.742 1.00 . A A . 22 ASP CA 1 1 19 16715 1 1 22 ASP CB C 6.919 7.792 -6.053 1.00 . A A . 22 ASP CB 1 1 19 16716 1 1 22 ASP CG C 5.616 8.137 -5.397 1.00 . A A . 22 ASP CG 1 1 19 16717 1 1 22 ASP H H 6.771 5.510 -4.815 1.00 . A A . 22 ASP H 1 1 19 16718 1 1 22 ASP HA H 6.146 6.395 -7.493 1.00 . A A . 22 ASP HA 1 1 19 16719 1 1 22 ASP HB2 H 7.682 7.790 -5.287 1.00 . A A . 22 ASP HB2 1 1 19 16720 1 1 22 ASP HB3 H 7.157 8.547 -6.788 1.00 . A A . 22 ASP HB3 1 1 19 16721 1 1 22 ASP N N 6.654 5.308 -5.773 1.00 . A A . 22 ASP N 1 1 19 16722 1 1 22 ASP O O 8.829 7.148 -8.060 1.00 . A A . 22 ASP O 1 1 19 16723 1 1 22 ASP OD1 O 4.676 8.606 -6.098 1.00 . A A . 22 ASP OD1 1 1 19 16724 1 1 22 ASP OD2 O 5.520 7.972 -4.182 1.00 . A A . 22 ASP OD2 1 1 19 16725 1 1 23 GLY C C 9.822 3.975 -9.243 1.00 . A A . 23 GLY C 1 1 19 16726 1 1 23 GLY CA C 10.063 4.703 -7.937 1.00 . A A . 23 GLY CA 1 1 19 16727 1 1 23 GLY H H 8.292 4.322 -6.899 1.00 . A A . 23 GLY H 1 1 19 16728 1 1 23 GLY HA2 H 10.595 5.628 -8.111 1.00 . A A . 23 GLY HA2 1 1 19 16729 1 1 23 GLY HA3 H 10.621 4.078 -7.255 1.00 . A A . 23 GLY HA3 1 1 19 16730 1 1 23 GLY N N 8.812 5.025 -7.333 1.00 . A A . 23 GLY N 1 1 19 16731 1 1 23 GLY O O 8.827 4.231 -9.910 1.00 . A A . 23 GLY O 1 1 19 16732 1 1 24 GLY C C 9.918 0.964 -10.632 1.00 . A A . 24 GLY C 1 1 19 16733 1 1 24 GLY CA C 10.512 2.332 -10.848 1.00 . A A . 24 GLY CA 1 1 19 16734 1 1 24 GLY H H 11.468 2.774 -9.085 1.00 . A A . 24 GLY H 1 1 19 16735 1 1 24 GLY HA2 H 9.870 2.898 -11.505 1.00 . A A . 24 GLY HA2 1 1 19 16736 1 1 24 GLY HA3 H 11.478 2.215 -11.315 1.00 . A A . 24 GLY HA3 1 1 19 16737 1 1 24 GLY N N 10.686 3.047 -9.599 1.00 . A A . 24 GLY N 1 1 19 16738 1 1 24 GLY O O 9.958 0.110 -11.507 1.00 . A A . 24 GLY O 1 1 19 16739 1 1 25 CYS C C 7.319 -0.499 -9.468 1.00 . A A . 25 CYS C 1 1 19 16740 1 1 25 CYS CA C 8.778 -0.511 -9.109 1.00 . A A . 25 CYS CA 1 1 19 16741 1 1 25 CYS CB C 8.864 -0.688 -7.634 1.00 . A A . 25 CYS CB 1 1 19 16742 1 1 25 CYS H H 9.434 1.456 -8.775 1.00 . A A . 25 CYS H 1 1 19 16743 1 1 25 CYS HA H 9.296 -1.328 -9.587 1.00 . A A . 25 CYS HA 1 1 19 16744 1 1 25 CYS HB2 H 8.159 -0.028 -7.157 1.00 . A A . 25 CYS HB2 1 1 19 16745 1 1 25 CYS HB3 H 8.612 -1.703 -7.379 1.00 . A A . 25 CYS HB3 1 1 19 16746 1 1 25 CYS N N 9.392 0.752 -9.452 1.00 . A A . 25 CYS N 1 1 19 16747 1 1 25 CYS O O 6.770 -1.502 -9.926 1.00 . A A . 25 CYS O 1 1 19 16748 1 1 25 CYS SG S 10.468 -0.342 -6.995 1.00 . A A . 25 CYS SG 1 1 19 16749 1 1 26 ASP C C 4.382 -0.219 -8.756 1.00 . A A . 26 ASP C 1 1 19 16750 1 1 26 ASP CA C 5.235 0.884 -9.415 1.00 . A A . 26 ASP CA 1 1 19 16751 1 1 26 ASP CB C 4.854 1.052 -10.897 1.00 . A A . 26 ASP CB 1 1 19 16752 1 1 26 ASP CG C 5.405 2.319 -11.533 1.00 . A A . 26 ASP CG 1 1 19 16753 1 1 26 ASP H H 7.268 1.456 -9.119 1.00 . A A . 26 ASP H 1 1 19 16754 1 1 26 ASP HA H 5.035 1.806 -8.889 1.00 . A A . 26 ASP HA 1 1 19 16755 1 1 26 ASP HB2 H 5.221 0.204 -11.458 1.00 . A A . 26 ASP HB2 1 1 19 16756 1 1 26 ASP HB3 H 3.778 1.071 -10.979 1.00 . A A . 26 ASP HB3 1 1 19 16757 1 1 26 ASP N N 6.702 0.669 -9.261 1.00 . A A . 26 ASP N 1 1 19 16758 1 1 26 ASP O O 3.255 -0.488 -9.186 1.00 . A A . 26 ASP O 1 1 19 16759 1 1 26 ASP OD1 O 6.541 2.300 -12.032 1.00 . A A . 26 ASP OD1 1 1 19 16760 1 1 26 ASP OD2 O 4.689 3.345 -11.547 1.00 . A A . 26 ASP OD2 1 1 19 16761 1 1 27 GLU C C 3.294 -1.298 -5.947 1.00 . A A . 27 GLU C 1 1 19 16762 1 1 27 GLU CA C 4.233 -1.862 -6.984 1.00 . A A . 27 GLU CA 1 1 19 16763 1 1 27 GLU CB C 5.264 -2.767 -6.310 1.00 . A A . 27 GLU CB 1 1 19 16764 1 1 27 GLU CD C 7.373 -4.122 -6.592 1.00 . A A . 27 GLU CD 1 1 19 16765 1 1 27 GLU CG C 6.258 -3.373 -7.278 1.00 . A A . 27 GLU CG 1 1 19 16766 1 1 27 GLU H H 5.749 -0.434 -7.368 1.00 . A A . 27 GLU H 1 1 19 16767 1 1 27 GLU HA H 3.675 -2.444 -7.703 1.00 . A A . 27 GLU HA 1 1 19 16768 1 1 27 GLU HB2 H 5.790 -2.210 -5.551 1.00 . A A . 27 GLU HB2 1 1 19 16769 1 1 27 GLU HB3 H 4.740 -3.573 -5.818 1.00 . A A . 27 GLU HB3 1 1 19 16770 1 1 27 GLU HG2 H 5.737 -4.060 -7.928 1.00 . A A . 27 GLU HG2 1 1 19 16771 1 1 27 GLU HG3 H 6.684 -2.586 -7.879 1.00 . A A . 27 GLU HG3 1 1 19 16772 1 1 27 GLU N N 4.897 -0.787 -7.685 1.00 . A A . 27 GLU N 1 1 19 16773 1 1 27 GLU O O 3.626 -0.316 -5.276 1.00 . A A . 27 GLU O 1 1 19 16774 1 1 27 GLU OE1 O 8.415 -3.505 -6.300 1.00 . A A . 27 GLU OE1 1 1 19 16775 1 1 27 GLU OE2 O 7.239 -5.337 -6.389 1.00 . A A . 27 GLU OE2 1 1 19 16776 1 1 28 TRP C C 1.359 -2.347 -3.609 1.00 . A A . 28 TRP C 1 1 19 16777 1 1 28 TRP CA C 1.157 -1.526 -4.857 1.00 . A A . 28 TRP CA 1 1 19 16778 1 1 28 TRP CB C -0.276 -1.726 -5.335 1.00 . A A . 28 TRP CB 1 1 19 16779 1 1 28 TRP CD1 C -0.941 -0.949 -7.700 1.00 . A A . 28 TRP CD1 1 1 19 16780 1 1 28 TRP CD2 C -1.270 0.562 -6.098 1.00 . A A . 28 TRP CD2 1 1 19 16781 1 1 28 TRP CE2 C -1.698 1.102 -7.323 1.00 . A A . 28 TRP CE2 1 1 19 16782 1 1 28 TRP CE3 C -1.381 1.342 -4.944 1.00 . A A . 28 TRP CE3 1 1 19 16783 1 1 28 TRP CG C -0.795 -0.754 -6.357 1.00 . A A . 28 TRP CG 1 1 19 16784 1 1 28 TRP CH2 C -2.321 3.110 -6.285 1.00 . A A . 28 TRP CH2 1 1 19 16785 1 1 28 TRP CZ2 C -2.222 2.373 -7.424 1.00 . A A . 28 TRP CZ2 1 1 19 16786 1 1 28 TRP CZ3 C -1.903 2.613 -5.055 1.00 . A A . 28 TRP CZ3 1 1 19 16787 1 1 28 TRP H H 1.930 -2.621 -6.473 1.00 . A A . 28 TRP H 1 1 19 16788 1 1 28 TRP HA H 1.304 -0.483 -4.622 1.00 . A A . 28 TRP HA 1 1 19 16789 1 1 28 TRP HB2 H -0.371 -2.715 -5.755 1.00 . A A . 28 TRP HB2 1 1 19 16790 1 1 28 TRP HB3 H -0.901 -1.663 -4.464 1.00 . A A . 28 TRP HB3 1 1 19 16791 1 1 28 TRP HD1 H -0.679 -1.845 -8.232 1.00 . A A . 28 TRP HD1 1 1 19 16792 1 1 28 TRP HE1 H -1.686 0.249 -9.237 1.00 . A A . 28 TRP HE1 1 1 19 16793 1 1 28 TRP HE3 H -1.060 0.974 -3.981 1.00 . A A . 28 TRP HE3 1 1 19 16794 1 1 28 TRP HH2 H -2.727 4.108 -6.324 1.00 . A A . 28 TRP HH2 1 1 19 16795 1 1 28 TRP HZ2 H -2.554 2.761 -8.373 1.00 . A A . 28 TRP HZ2 1 1 19 16796 1 1 28 TRP HZ3 H -2.011 3.240 -4.183 1.00 . A A . 28 TRP HZ3 1 1 19 16797 1 1 28 TRP N N 2.125 -1.893 -5.850 1.00 . A A . 28 TRP N 1 1 19 16798 1 1 28 TRP NE1 N -1.490 0.158 -8.281 1.00 . A A . 28 TRP NE1 1 1 19 16799 1 1 28 TRP O O 1.466 -3.581 -3.679 1.00 . A A . 28 TRP O 1 1 19 16800 1 1 29 PHE C C 0.454 -1.883 -0.315 1.00 . A A . 29 PHE C 1 1 19 16801 1 1 29 PHE CA C 1.591 -2.310 -1.198 1.00 . A A . 29 PHE CA 1 1 19 16802 1 1 29 PHE CB C 2.838 -1.811 -0.504 1.00 . A A . 29 PHE CB 1 1 19 16803 1 1 29 PHE CD1 C 4.744 -2.637 -1.877 1.00 . A A . 29 PHE CD1 1 1 19 16804 1 1 29 PHE CD2 C 4.388 -0.292 -1.638 1.00 . A A . 29 PHE CD2 1 1 19 16805 1 1 29 PHE CE1 C 5.840 -2.388 -2.670 1.00 . A A . 29 PHE CE1 1 1 19 16806 1 1 29 PHE CE2 C 5.474 -0.043 -2.412 1.00 . A A . 29 PHE CE2 1 1 19 16807 1 1 29 PHE CG C 4.006 -1.586 -1.363 1.00 . A A . 29 PHE CG 1 1 19 16808 1 1 29 PHE CZ C 6.207 -1.086 -2.935 1.00 . A A . 29 PHE CZ 1 1 19 16809 1 1 29 PHE H H 1.404 -0.692 -2.565 1.00 . A A . 29 PHE H 1 1 19 16810 1 1 29 PHE HA H 1.636 -3.382 -1.292 1.00 . A A . 29 PHE HA 1 1 19 16811 1 1 29 PHE HB2 H 2.614 -0.881 -0.007 1.00 . A A . 29 PHE HB2 1 1 19 16812 1 1 29 PHE HB3 H 3.110 -2.540 0.245 1.00 . A A . 29 PHE HB3 1 1 19 16813 1 1 29 PHE HD1 H 4.447 -3.655 -1.663 1.00 . A A . 29 PHE HD1 1 1 19 16814 1 1 29 PHE HD2 H 3.805 0.532 -1.239 1.00 . A A . 29 PHE HD2 1 1 19 16815 1 1 29 PHE HE1 H 6.410 -3.211 -3.075 1.00 . A A . 29 PHE HE1 1 1 19 16816 1 1 29 PHE HE2 H 5.745 0.980 -2.600 1.00 . A A . 29 PHE HE2 1 1 19 16817 1 1 29 PHE HZ H 7.068 -0.880 -3.550 1.00 . A A . 29 PHE HZ 1 1 19 16818 1 1 29 PHE N N 1.425 -1.675 -2.492 1.00 . A A . 29 PHE N 1 1 19 16819 1 1 29 PHE O O -0.320 -1.025 -0.694 1.00 . A A . 29 PHE O 1 1 19 16820 1 1 30 HIS C C 0.259 -1.059 2.691 1.00 . A A . 30 HIS C 1 1 19 16821 1 1 30 HIS CA C -0.585 -1.947 1.823 1.00 . A A . 30 HIS CA 1 1 19 16822 1 1 30 HIS CB C -1.210 -3.029 2.685 1.00 . A A . 30 HIS CB 1 1 19 16823 1 1 30 HIS CD2 C -3.333 -4.177 1.695 1.00 . A A . 30 HIS CD2 1 1 19 16824 1 1 30 HIS CE1 C -2.403 -6.087 1.119 1.00 . A A . 30 HIS CE1 1 1 19 16825 1 1 30 HIS CG C -2.004 -4.077 1.958 1.00 . A A . 30 HIS CG 1 1 19 16826 1 1 30 HIS H H 0.970 -3.189 1.103 1.00 . A A . 30 HIS H 1 1 19 16827 1 1 30 HIS HA H -1.333 -1.362 1.309 1.00 . A A . 30 HIS HA 1 1 19 16828 1 1 30 HIS HB2 H -0.415 -3.543 3.205 1.00 . A A . 30 HIS HB2 1 1 19 16829 1 1 30 HIS HB3 H -1.853 -2.558 3.414 1.00 . A A . 30 HIS HB3 1 1 19 16830 1 1 30 HIS HD2 H -4.075 -3.413 1.869 1.00 . A A . 30 HIS HD2 1 1 19 16831 1 1 30 HIS HE1 H -2.265 -7.138 0.874 1.00 . A A . 30 HIS HE1 1 1 19 16832 1 1 30 HIS HE2 H -4.313 -5.667 0.589 1.00 . A A . 30 HIS HE2 1 1 19 16833 1 1 30 HIS N N 0.345 -2.468 0.856 1.00 . A A . 30 HIS N 1 1 19 16834 1 1 30 HIS ND1 N -1.457 -5.271 1.569 1.00 . A A . 30 HIS ND1 1 1 19 16835 1 1 30 HIS NE2 N -3.557 -5.441 1.173 1.00 . A A . 30 HIS NE2 1 1 19 16836 1 1 30 HIS O O 1.436 -1.347 2.868 1.00 . A A . 30 HIS O 1 1 19 16837 1 1 31 GLN C C 1.161 0.271 5.202 1.00 . A A . 31 GLN C 1 1 19 16838 1 1 31 GLN CA C 0.492 0.928 3.996 1.00 . A A . 31 GLN CA 1 1 19 16839 1 1 31 GLN CB C -0.350 2.128 4.418 1.00 . A A . 31 GLN CB 1 1 19 16840 1 1 31 GLN CD C -0.986 4.253 3.205 1.00 . A A . 31 GLN CD 1 1 19 16841 1 1 31 GLN CG C -1.098 2.746 3.255 1.00 . A A . 31 GLN CG 1 1 19 16842 1 1 31 GLN H H -1.268 0.057 3.127 1.00 . A A . 31 GLN H 1 1 19 16843 1 1 31 GLN HA H 1.271 1.273 3.331 1.00 . A A . 31 GLN HA 1 1 19 16844 1 1 31 GLN HB2 H -1.069 1.814 5.160 1.00 . A A . 31 GLN HB2 1 1 19 16845 1 1 31 GLN HB3 H 0.296 2.880 4.844 1.00 . A A . 31 GLN HB3 1 1 19 16846 1 1 31 GLN HE21 H -1.207 4.210 1.247 1.00 . A A . 31 GLN HE21 1 1 19 16847 1 1 31 GLN HE22 H -0.985 5.772 1.954 1.00 . A A . 31 GLN HE22 1 1 19 16848 1 1 31 GLN HG2 H -0.650 2.332 2.362 1.00 . A A . 31 GLN HG2 1 1 19 16849 1 1 31 GLN HG3 H -2.137 2.456 3.308 1.00 . A A . 31 GLN HG3 1 1 19 16850 1 1 31 GLN N N -0.301 -0.026 3.237 1.00 . A A . 31 GLN N 1 1 19 16851 1 1 31 GLN NE2 N -1.073 4.800 2.020 1.00 . A A . 31 GLN NE2 1 1 19 16852 1 1 31 GLN O O 2.342 0.446 5.437 1.00 . A A . 31 GLN O 1 1 19 16853 1 1 31 GLN OE1 O -0.834 4.913 4.218 1.00 . A A . 31 GLN OE1 1 1 19 16854 1 1 32 VAL C C 1.984 -2.255 6.856 1.00 . A A . 32 VAL C 1 1 19 16855 1 1 32 VAL CA C 0.915 -1.177 7.110 1.00 . A A . 32 VAL CA 1 1 19 16856 1 1 32 VAL CB C -0.231 -1.786 7.952 1.00 . A A . 32 VAL CB 1 1 19 16857 1 1 32 VAL CG1 C -1.213 -0.708 8.367 1.00 . A A . 32 VAL CG1 1 1 19 16858 1 1 32 VAL CG2 C -0.937 -2.894 7.176 1.00 . A A . 32 VAL CG2 1 1 19 16859 1 1 32 VAL H H -0.470 -0.844 5.637 1.00 . A A . 32 VAL H 1 1 19 16860 1 1 32 VAL HA H 1.370 -0.391 7.694 1.00 . A A . 32 VAL HA 1 1 19 16861 1 1 32 VAL HB H 0.210 -2.217 8.838 1.00 . A A . 32 VAL HB 1 1 19 16862 1 1 32 VAL HG11 H -1.647 -0.275 7.476 1.00 . A A . 32 VAL HG11 1 1 19 16863 1 1 32 VAL HG12 H -0.692 0.056 8.930 1.00 . A A . 32 VAL HG12 1 1 19 16864 1 1 32 VAL HG13 H -1.991 -1.152 8.968 1.00 . A A . 32 VAL HG13 1 1 19 16865 1 1 32 VAL HG21 H -1.327 -2.482 6.258 1.00 . A A . 32 VAL HG21 1 1 19 16866 1 1 32 VAL HG22 H -1.731 -3.323 7.765 1.00 . A A . 32 VAL HG22 1 1 19 16867 1 1 32 VAL HG23 H -0.207 -3.658 6.944 1.00 . A A . 32 VAL HG23 1 1 19 16868 1 1 32 VAL N N 0.425 -0.552 5.896 1.00 . A A . 32 VAL N 1 1 19 16869 1 1 32 VAL O O 2.861 -2.468 7.690 1.00 . A A . 32 VAL O 1 1 19 16870 1 1 33 CYS C C 4.162 -3.669 4.969 1.00 . A A . 33 CYS C 1 1 19 16871 1 1 33 CYS CA C 2.774 -4.080 5.463 1.00 . A A . 33 CYS CA 1 1 19 16872 1 1 33 CYS CB C 2.090 -5.066 4.477 1.00 . A A . 33 CYS CB 1 1 19 16873 1 1 33 CYS H H 1.469 -2.589 4.891 1.00 . A A . 33 CYS H 1 1 19 16874 1 1 33 CYS HA H 2.899 -4.573 6.416 1.00 . A A . 33 CYS HA 1 1 19 16875 1 1 33 CYS HB2 H 2.705 -5.926 4.273 1.00 . A A . 33 CYS HB2 1 1 19 16876 1 1 33 CYS HB3 H 1.138 -5.392 4.858 1.00 . A A . 33 CYS HB3 1 1 19 16877 1 1 33 CYS N N 1.931 -2.912 5.691 1.00 . A A . 33 CYS N 1 1 19 16878 1 1 33 CYS O O 5.138 -4.386 5.175 1.00 . A A . 33 CYS O 1 1 19 16879 1 1 33 CYS SG S 1.701 -4.346 2.911 1.00 . A A . 33 CYS SG 1 1 19 16880 1 1 34 VAL C C 6.069 -0.890 4.651 1.00 . A A . 34 VAL C 1 1 19 16881 1 1 34 VAL CA C 5.457 -2.047 3.766 1.00 . A A . 34 VAL CA 1 1 19 16882 1 1 34 VAL CB C 5.183 -1.572 2.319 1.00 . A A . 34 VAL CB 1 1 19 16883 1 1 34 VAL CG1 C 4.420 -0.274 2.246 1.00 . A A . 34 VAL CG1 1 1 19 16884 1 1 34 VAL CG2 C 6.420 -1.562 1.528 1.00 . A A . 34 VAL CG2 1 1 19 16885 1 1 34 VAL H H 3.481 -1.930 4.135 1.00 . A A . 34 VAL H 1 1 19 16886 1 1 34 VAL HA H 6.140 -2.884 3.733 1.00 . A A . 34 VAL HA 1 1 19 16887 1 1 34 VAL HB H 4.503 -2.265 1.843 1.00 . A A . 34 VAL HB 1 1 19 16888 1 1 34 VAL HG11 H 4.302 0.027 1.214 1.00 . A A . 34 VAL HG11 1 1 19 16889 1 1 34 VAL HG12 H 4.971 0.481 2.784 1.00 . A A . 34 VAL HG12 1 1 19 16890 1 1 34 VAL HG13 H 3.443 -0.387 2.694 1.00 . A A . 34 VAL HG13 1 1 19 16891 1 1 34 VAL HG21 H 6.744 -2.593 1.557 1.00 . A A . 34 VAL HG21 1 1 19 16892 1 1 34 VAL HG22 H 7.130 -0.922 2.026 1.00 . A A . 34 VAL HG22 1 1 19 16893 1 1 34 VAL HG23 H 6.183 -1.238 0.526 1.00 . A A . 34 VAL HG23 1 1 19 16894 1 1 34 VAL N N 4.240 -2.516 4.319 1.00 . A A . 34 VAL N 1 1 19 16895 1 1 34 VAL O O 6.966 -0.154 4.221 1.00 . A A . 34 VAL O 1 1 19 16896 1 1 35 GLY C C 5.768 1.672 6.448 1.00 . A A . 35 GLY C 1 1 19 16897 1 1 35 GLY CA C 6.104 0.223 6.827 1.00 . A A . 35 GLY CA 1 1 19 16898 1 1 35 GLY H H 4.993 -1.500 6.208 1.00 . A A . 35 GLY H 1 1 19 16899 1 1 35 GLY HA2 H 5.680 0.026 7.801 1.00 . A A . 35 GLY HA2 1 1 19 16900 1 1 35 GLY HA3 H 7.177 0.127 6.904 1.00 . A A . 35 GLY HA3 1 1 19 16901 1 1 35 GLY N N 5.611 -0.804 5.897 1.00 . A A . 35 GLY N 1 1 19 16902 1 1 35 GLY O O 6.585 2.573 6.634 1.00 . A A . 35 GLY O 1 1 19 16903 1 1 36 VAL C C 3.235 3.780 6.695 1.00 . A A . 36 VAL C 1 1 19 16904 1 1 36 VAL CA C 4.120 3.226 5.584 1.00 . A A . 36 VAL CA 1 1 19 16905 1 1 36 VAL CB C 3.301 3.182 4.255 1.00 . A A . 36 VAL CB 1 1 19 16906 1 1 36 VAL CG1 C 2.639 4.471 3.967 1.00 . A A . 36 VAL CG1 1 1 19 16907 1 1 36 VAL CG2 C 4.175 2.934 3.108 1.00 . A A . 36 VAL CG2 1 1 19 16908 1 1 36 VAL H H 3.961 1.146 5.795 1.00 . A A . 36 VAL H 1 1 19 16909 1 1 36 VAL HA H 4.979 3.865 5.438 1.00 . A A . 36 VAL HA 1 1 19 16910 1 1 36 VAL HB H 2.577 2.388 4.293 1.00 . A A . 36 VAL HB 1 1 19 16911 1 1 36 VAL HG11 H 1.912 4.736 4.719 1.00 . A A . 36 VAL HG11 1 1 19 16912 1 1 36 VAL HG12 H 2.207 4.383 2.979 1.00 . A A . 36 VAL HG12 1 1 19 16913 1 1 36 VAL HG13 H 3.425 5.209 3.917 1.00 . A A . 36 VAL HG13 1 1 19 16914 1 1 36 VAL HG21 H 4.395 3.934 2.741 1.00 . A A . 36 VAL HG21 1 1 19 16915 1 1 36 VAL HG22 H 3.576 2.446 2.350 1.00 . A A . 36 VAL HG22 1 1 19 16916 1 1 36 VAL HG23 H 5.062 2.377 3.365 1.00 . A A . 36 VAL HG23 1 1 19 16917 1 1 36 VAL N N 4.586 1.892 5.942 1.00 . A A . 36 VAL N 1 1 19 16918 1 1 36 VAL O O 2.562 3.026 7.399 1.00 . A A . 36 VAL O 1 1 19 16919 1 1 37 SER C C 1.792 6.901 6.947 1.00 . A A . 37 SER C 1 1 19 16920 1 1 37 SER CA C 2.417 5.762 7.770 1.00 . A A . 37 SER CA 1 1 19 16921 1 1 37 SER CB C 3.238 6.322 8.926 1.00 . A A . 37 SER CB 1 1 19 16922 1 1 37 SER H H 3.847 5.738 6.444 1.00 . A A . 37 SER H 1 1 19 16923 1 1 37 SER HA H 1.657 5.084 8.129 1.00 . A A . 37 SER HA 1 1 19 16924 1 1 37 SER HB2 H 3.953 7.038 8.547 1.00 . A A . 37 SER HB2 1 1 19 16925 1 1 37 SER HB3 H 2.591 6.806 9.640 1.00 . A A . 37 SER HB3 1 1 19 16926 1 1 37 SER HG H 3.550 4.445 9.303 1.00 . A A . 37 SER HG 1 1 19 16927 1 1 37 SER N N 3.272 5.077 6.879 1.00 . A A . 37 SER N 1 1 19 16928 1 1 37 SER O O 2.457 7.392 6.015 1.00 . A A . 37 SER O 1 1 19 16929 1 1 37 SER OG O 3.943 5.280 9.584 1.00 . A A . 37 SER OG 1 1 19 16930 1 1 38 PRO C C 0.612 9.549 6.030 1.00 . A A . 38 PRO C 1 1 19 16931 1 1 38 PRO CA C -0.225 8.349 6.494 1.00 . A A . 38 PRO CA 1 1 19 16932 1 1 38 PRO CB C -1.267 8.801 7.512 1.00 . A A . 38 PRO CB 1 1 19 16933 1 1 38 PRO CD C -0.289 6.773 8.372 1.00 . A A . 38 PRO CD 1 1 19 16934 1 1 38 PRO CG C -1.571 7.571 8.294 1.00 . A A . 38 PRO CG 1 1 19 16935 1 1 38 PRO HA H -0.728 7.919 5.641 1.00 . A A . 38 PRO HA 1 1 19 16936 1 1 38 PRO HB2 H -0.852 9.579 8.140 1.00 . A A . 38 PRO HB2 1 1 19 16937 1 1 38 PRO HB3 H -2.145 9.182 7.008 1.00 . A A . 38 PRO HB3 1 1 19 16938 1 1 38 PRO HD2 H 0.208 6.907 9.323 1.00 . A A . 38 PRO HD2 1 1 19 16939 1 1 38 PRO HD3 H -0.498 5.727 8.201 1.00 . A A . 38 PRO HD3 1 1 19 16940 1 1 38 PRO HG2 H -1.897 7.849 9.285 1.00 . A A . 38 PRO HG2 1 1 19 16941 1 1 38 PRO HG3 H -2.341 7.003 7.798 1.00 . A A . 38 PRO HG3 1 1 19 16942 1 1 38 PRO N N 0.535 7.312 7.255 1.00 . A A . 38 PRO N 1 1 19 16943 1 1 38 PRO O O 0.633 9.876 4.846 1.00 . A A . 38 PRO O 1 1 19 16944 1 1 39 GLU C C 3.212 11.050 5.598 1.00 . A A . 39 GLU C 1 1 19 16945 1 1 39 GLU CA C 2.165 11.332 6.667 1.00 . A A . 39 GLU CA 1 1 19 16946 1 1 39 GLU CB C 2.891 11.794 7.934 1.00 . A A . 39 GLU CB 1 1 19 16947 1 1 39 GLU CD C 1.297 13.597 8.647 1.00 . A A . 39 GLU CD 1 1 19 16948 1 1 39 GLU CG C 1.995 12.322 9.036 1.00 . A A . 39 GLU CG 1 1 19 16949 1 1 39 GLU H H 1.321 9.779 7.868 1.00 . A A . 39 GLU H 1 1 19 16950 1 1 39 GLU HA H 1.504 12.124 6.347 1.00 . A A . 39 GLU HA 1 1 19 16951 1 1 39 GLU HB2 H 3.443 10.953 8.333 1.00 . A A . 39 GLU HB2 1 1 19 16952 1 1 39 GLU HB3 H 3.601 12.567 7.666 1.00 . A A . 39 GLU HB3 1 1 19 16953 1 1 39 GLU HG2 H 1.236 11.587 9.253 1.00 . A A . 39 GLU HG2 1 1 19 16954 1 1 39 GLU HG3 H 2.581 12.506 9.925 1.00 . A A . 39 GLU HG3 1 1 19 16955 1 1 39 GLU N N 1.349 10.143 6.958 1.00 . A A . 39 GLU N 1 1 19 16956 1 1 39 GLU O O 3.440 11.852 4.720 1.00 . A A . 39 GLU O 1 1 19 16957 1 1 39 GLU OE1 O 1.939 14.676 8.695 1.00 . A A . 39 GLU OE1 1 1 19 16958 1 1 39 GLU OE2 O 0.108 13.558 8.323 1.00 . A A . 39 GLU OE2 1 1 19 16959 1 1 40 MET C C 4.428 9.383 3.307 1.00 . A A . 40 MET C 1 1 19 16960 1 1 40 MET CA C 4.906 9.612 4.733 1.00 . A A . 40 MET CA 1 1 19 16961 1 1 40 MET CB C 5.824 8.481 5.208 1.00 . A A . 40 MET CB 1 1 19 16962 1 1 40 MET CE C 8.682 9.935 4.926 1.00 . A A . 40 MET CE 1 1 19 16963 1 1 40 MET CG C 6.605 8.811 6.480 1.00 . A A . 40 MET CG 1 1 19 16964 1 1 40 MET H H 3.441 9.196 6.238 1.00 . A A . 40 MET H 1 1 19 16965 1 1 40 MET HA H 5.484 10.524 4.704 1.00 . A A . 40 MET HA 1 1 19 16966 1 1 40 MET HB2 H 5.228 7.601 5.390 1.00 . A A . 40 MET HB2 1 1 19 16967 1 1 40 MET HB3 H 6.528 8.261 4.420 1.00 . A A . 40 MET HB3 1 1 19 16968 1 1 40 MET HE1 H 9.271 9.052 5.136 1.00 . A A . 40 MET HE1 1 1 19 16969 1 1 40 MET HE2 H 9.343 10.772 4.746 1.00 . A A . 40 MET HE2 1 1 19 16970 1 1 40 MET HE3 H 8.082 9.755 4.047 1.00 . A A . 40 MET HE3 1 1 19 16971 1 1 40 MET HG2 H 5.902 8.951 7.289 1.00 . A A . 40 MET HG2 1 1 19 16972 1 1 40 MET HG3 H 7.268 7.990 6.715 1.00 . A A . 40 MET HG3 1 1 19 16973 1 1 40 MET N N 3.818 9.889 5.655 1.00 . A A . 40 MET N 1 1 19 16974 1 1 40 MET O O 4.960 9.943 2.393 1.00 . A A . 40 MET O 1 1 19 16975 1 1 40 MET SD S 7.601 10.329 6.320 1.00 . A A . 40 MET SD 1 1 19 16976 1 1 41 ALA C C 2.023 9.213 1.175 1.00 . A A . 41 ALA C 1 1 19 16977 1 1 41 ALA CA C 2.921 8.175 1.813 1.00 . A A . 41 ALA CA 1 1 19 16978 1 1 41 ALA CB C 2.151 6.940 1.923 1.00 . A A . 41 ALA CB 1 1 19 16979 1 1 41 ALA H H 2.982 8.140 3.924 1.00 . A A . 41 ALA H 1 1 19 16980 1 1 41 ALA HA H 3.757 7.973 1.156 1.00 . A A . 41 ALA HA 1 1 19 16981 1 1 41 ALA HB1 H 1.768 6.684 0.947 1.00 . A A . 41 ALA HB1 1 1 19 16982 1 1 41 ALA HB2 H 1.344 7.204 2.594 1.00 . A A . 41 ALA HB2 1 1 19 16983 1 1 41 ALA HB3 H 2.787 6.154 2.316 1.00 . A A . 41 ALA HB3 1 1 19 16984 1 1 41 ALA N N 3.425 8.545 3.147 1.00 . A A . 41 ALA N 1 1 19 16985 1 1 41 ALA O O 1.982 9.333 -0.028 1.00 . A A . 41 ALA O 1 1 19 16986 1 1 42 GLU C C 0.977 12.200 1.211 1.00 . A A . 42 GLU C 1 1 19 16987 1 1 42 GLU CA C 0.332 10.847 1.376 1.00 . A A . 42 GLU CA 1 1 19 16988 1 1 42 GLU CB C -0.948 10.941 2.205 1.00 . A A . 42 GLU CB 1 1 19 16989 1 1 42 GLU CD C -2.989 9.795 3.132 1.00 . A A . 42 GLU CD 1 1 19 16990 1 1 42 GLU CG C -1.748 9.649 2.283 1.00 . A A . 42 GLU CG 1 1 19 16991 1 1 42 GLU H H 1.375 9.880 2.933 1.00 . A A . 42 GLU H 1 1 19 16992 1 1 42 GLU HA H 0.086 10.467 0.395 1.00 . A A . 42 GLU HA 1 1 19 16993 1 1 42 GLU HB2 H -0.654 11.153 3.220 1.00 . A A . 42 GLU HB2 1 1 19 16994 1 1 42 GLU HB3 H -1.582 11.717 1.803 1.00 . A A . 42 GLU HB3 1 1 19 16995 1 1 42 GLU HG2 H -2.054 9.367 1.284 1.00 . A A . 42 GLU HG2 1 1 19 16996 1 1 42 GLU HG3 H -1.126 8.869 2.702 1.00 . A A . 42 GLU HG3 1 1 19 16997 1 1 42 GLU N N 1.269 9.922 1.959 1.00 . A A . 42 GLU N 1 1 19 16998 1 1 42 GLU O O 0.706 12.923 0.252 1.00 . A A . 42 GLU O 1 1 19 16999 1 1 42 GLU OE1 O -2.908 9.589 4.367 1.00 . A A . 42 GLU OE1 1 1 19 17000 1 1 42 GLU OE2 O -4.069 10.121 2.584 1.00 . A A . 42 GLU OE2 1 1 19 17001 1 1 43 ASN C C 3.770 13.849 1.291 1.00 . A A . 43 ASN C 1 1 19 17002 1 1 43 ASN CA C 2.497 13.818 2.098 1.00 . A A . 43 ASN CA 1 1 19 17003 1 1 43 ASN CB C 2.724 14.370 3.485 1.00 . A A . 43 ASN CB 1 1 19 17004 1 1 43 ASN CG C 1.443 14.806 4.155 1.00 . A A . 43 ASN CG 1 1 19 17005 1 1 43 ASN H H 1.950 11.870 2.856 1.00 . A A . 43 ASN H 1 1 19 17006 1 1 43 ASN HA H 1.806 14.481 1.601 1.00 . A A . 43 ASN HA 1 1 19 17007 1 1 43 ASN HB2 H 3.161 13.567 4.061 1.00 . A A . 43 ASN HB2 1 1 19 17008 1 1 43 ASN HB3 H 3.409 15.188 3.413 1.00 . A A . 43 ASN HB3 1 1 19 17009 1 1 43 ASN HD21 H 1.636 16.626 3.405 1.00 . A A . 43 ASN HD21 1 1 19 17010 1 1 43 ASN HD22 H 0.252 16.342 4.411 1.00 . A A . 43 ASN HD22 1 1 19 17011 1 1 43 ASN N N 1.845 12.531 2.133 1.00 . A A . 43 ASN N 1 1 19 17012 1 1 43 ASN ND2 N 1.076 16.050 3.968 1.00 . A A . 43 ASN ND2 1 1 19 17013 1 1 43 ASN O O 4.121 14.897 0.733 1.00 . A A . 43 ASN O 1 1 19 17014 1 1 43 ASN OD1 O 0.787 14.027 4.834 1.00 . A A . 43 ASN OD1 1 1 19 17015 1 1 44 GLU C C 5.648 11.572 -0.524 1.00 . A A . 44 GLU C 1 1 19 17016 1 1 44 GLU CA C 5.693 12.680 0.461 1.00 . A A . 44 GLU CA 1 1 19 17017 1 1 44 GLU CB C 6.914 12.456 1.371 1.00 . A A . 44 GLU CB 1 1 19 17018 1 1 44 GLU CD C 7.445 14.897 1.724 1.00 . A A . 44 GLU CD 1 1 19 17019 1 1 44 GLU CG C 7.193 13.551 2.366 1.00 . A A . 44 GLU CG 1 1 19 17020 1 1 44 GLU H H 4.104 11.916 1.610 1.00 . A A . 44 GLU H 1 1 19 17021 1 1 44 GLU HA H 5.820 13.624 -0.048 1.00 . A A . 44 GLU HA 1 1 19 17022 1 1 44 GLU HB2 H 6.768 11.539 1.919 1.00 . A A . 44 GLU HB2 1 1 19 17023 1 1 44 GLU HB3 H 7.786 12.327 0.745 1.00 . A A . 44 GLU HB3 1 1 19 17024 1 1 44 GLU HG2 H 6.266 13.634 2.903 1.00 . A A . 44 GLU HG2 1 1 19 17025 1 1 44 GLU HG3 H 8.000 13.270 3.031 1.00 . A A . 44 GLU HG3 1 1 19 17026 1 1 44 GLU N N 4.455 12.737 1.206 1.00 . A A . 44 GLU N 1 1 19 17027 1 1 44 GLU O O 4.787 10.700 -0.458 1.00 . A A . 44 GLU O 1 1 19 17028 1 1 44 GLU OE1 O 8.318 15.002 0.832 1.00 . A A . 44 GLU OE1 1 1 19 17029 1 1 44 GLU OE2 O 6.785 15.884 2.128 1.00 . A A . 44 GLU OE2 1 1 19 17030 1 1 45 ASP C C 7.356 9.400 -1.633 1.00 . A A . 45 ASP C 1 1 19 17031 1 1 45 ASP CA C 6.756 10.557 -2.392 1.00 . A A . 45 ASP CA 1 1 19 17032 1 1 45 ASP CB C 7.755 10.993 -3.487 1.00 . A A . 45 ASP CB 1 1 19 17033 1 1 45 ASP CG C 7.389 12.283 -4.183 1.00 . A A . 45 ASP CG 1 1 19 17034 1 1 45 ASP H H 7.139 12.405 -1.514 1.00 . A A . 45 ASP H 1 1 19 17035 1 1 45 ASP HA H 5.812 10.281 -2.838 1.00 . A A . 45 ASP HA 1 1 19 17036 1 1 45 ASP HB2 H 8.725 11.141 -3.033 1.00 . A A . 45 ASP HB2 1 1 19 17037 1 1 45 ASP HB3 H 7.833 10.215 -4.232 1.00 . A A . 45 ASP HB3 1 1 19 17038 1 1 45 ASP N N 6.562 11.619 -1.433 1.00 . A A . 45 ASP N 1 1 19 17039 1 1 45 ASP O O 8.256 9.600 -0.792 1.00 . A A . 45 ASP O 1 1 19 17040 1 1 45 ASP OD1 O 6.674 12.245 -5.218 1.00 . A A . 45 ASP OD1 1 1 19 17041 1 1 45 ASP OD2 O 7.847 13.367 -3.716 1.00 . A A . 45 ASP OD2 1 1 19 17042 1 1 46 TYR C C 8.026 6.075 -2.110 1.00 . A A . 46 TYR C 1 1 19 17043 1 1 46 TYR CA C 7.395 7.091 -1.187 1.00 . A A . 46 TYR CA 1 1 19 17044 1 1 46 TYR CB C 6.319 6.507 -0.257 1.00 . A A . 46 TYR CB 1 1 19 17045 1 1 46 TYR CD1 C 7.781 5.078 1.260 1.00 . A A . 46 TYR CD1 1 1 19 17046 1 1 46 TYR CD2 C 6.025 4.096 0.051 1.00 . A A . 46 TYR CD2 1 1 19 17047 1 1 46 TYR CE1 C 8.130 3.832 1.781 1.00 . A A . 46 TYR CE1 1 1 19 17048 1 1 46 TYR CE2 C 6.339 2.856 0.541 1.00 . A A . 46 TYR CE2 1 1 19 17049 1 1 46 TYR CG C 6.714 5.198 0.377 1.00 . A A . 46 TYR CG 1 1 19 17050 1 1 46 TYR CZ C 7.396 2.720 1.409 1.00 . A A . 46 TYR CZ 1 1 19 17051 1 1 46 TYR H H 6.255 8.066 -2.616 1.00 . A A . 46 TYR H 1 1 19 17052 1 1 46 TYR HA H 8.210 7.410 -0.564 1.00 . A A . 46 TYR HA 1 1 19 17053 1 1 46 TYR HB2 H 6.145 7.208 0.548 1.00 . A A . 46 TYR HB2 1 1 19 17054 1 1 46 TYR HB3 H 5.399 6.366 -0.808 1.00 . A A . 46 TYR HB3 1 1 19 17055 1 1 46 TYR HD1 H 8.340 5.958 1.542 1.00 . A A . 46 TYR HD1 1 1 19 17056 1 1 46 TYR HD2 H 5.218 4.314 -0.624 1.00 . A A . 46 TYR HD2 1 1 19 17057 1 1 46 TYR HE1 H 8.965 3.740 2.460 1.00 . A A . 46 TYR HE1 1 1 19 17058 1 1 46 TYR HE2 H 5.747 2.004 0.243 1.00 . A A . 46 TYR HE2 1 1 19 17059 1 1 46 TYR HH H 7.775 1.470 2.865 1.00 . A A . 46 TYR HH 1 1 19 17060 1 1 46 TYR N N 6.913 8.224 -1.894 1.00 . A A . 46 TYR N 1 1 19 17061 1 1 46 TYR O O 7.444 5.656 -3.107 1.00 . A A . 46 TYR O 1 1 19 17062 1 1 46 TYR OH O 7.713 1.472 1.902 1.00 . A A . 46 TYR OH 1 1 19 17063 1 1 47 ILE C C 10.275 3.565 -1.632 1.00 . A A . 47 ILE C 1 1 19 17064 1 1 47 ILE CA C 10.020 4.750 -2.529 1.00 . A A . 47 ILE CA 1 1 19 17065 1 1 47 ILE CB C 11.390 5.429 -3.009 1.00 . A A . 47 ILE CB 1 1 19 17066 1 1 47 ILE CD1 C 10.322 7.458 -4.218 1.00 . A A . 47 ILE CD1 1 1 19 17067 1 1 47 ILE CG1 C 11.234 6.264 -4.310 1.00 . A A . 47 ILE CG1 1 1 19 17068 1 1 47 ILE CG2 C 12.566 4.461 -3.113 1.00 . A A . 47 ILE CG2 1 1 19 17069 1 1 47 ILE H H 9.761 5.743 -0.944 1.00 . A A . 47 ILE H 1 1 19 17070 1 1 47 ILE HA H 9.441 4.444 -3.384 1.00 . A A . 47 ILE HA 1 1 19 17071 1 1 47 ILE HB H 11.648 6.107 -2.207 1.00 . A A . 47 ILE HB 1 1 19 17072 1 1 47 ILE HD11 H 10.247 7.907 -5.195 1.00 . A A . 47 ILE HD11 1 1 19 17073 1 1 47 ILE HD12 H 10.720 8.170 -3.510 1.00 . A A . 47 ILE HD12 1 1 19 17074 1 1 47 ILE HD13 H 9.346 7.123 -3.898 1.00 . A A . 47 ILE HD13 1 1 19 17075 1 1 47 ILE HG12 H 12.201 6.651 -4.587 1.00 . A A . 47 ILE HG12 1 1 19 17076 1 1 47 ILE HG13 H 10.874 5.623 -5.101 1.00 . A A . 47 ILE HG13 1 1 19 17077 1 1 47 ILE HG21 H 13.445 4.995 -3.438 1.00 . A A . 47 ILE HG21 1 1 19 17078 1 1 47 ILE HG22 H 12.360 3.679 -3.831 1.00 . A A . 47 ILE HG22 1 1 19 17079 1 1 47 ILE HG23 H 12.763 4.014 -2.150 1.00 . A A . 47 ILE HG23 1 1 19 17080 1 1 47 ILE N N 9.227 5.659 -1.761 1.00 . A A . 47 ILE N 1 1 19 17081 1 1 47 ILE O O 10.609 3.745 -0.463 1.00 . A A . 47 ILE O 1 1 19 17082 1 1 48 CYS C C 11.696 0.722 -1.206 1.00 . A A . 48 CYS C 1 1 19 17083 1 1 48 CYS CA C 10.223 1.189 -1.325 1.00 . A A . 48 CYS CA 1 1 19 17084 1 1 48 CYS CB C 9.273 0.060 -1.786 1.00 . A A . 48 CYS CB 1 1 19 17085 1 1 48 CYS H H 9.867 2.349 -3.103 1.00 . A A . 48 CYS H 1 1 19 17086 1 1 48 CYS HA H 9.924 1.506 -0.338 1.00 . A A . 48 CYS HA 1 1 19 17087 1 1 48 CYS HB2 H 9.294 -0.718 -1.036 1.00 . A A . 48 CYS HB2 1 1 19 17088 1 1 48 CYS HB3 H 8.263 0.448 -1.825 1.00 . A A . 48 CYS HB3 1 1 19 17089 1 1 48 CYS N N 10.089 2.373 -2.152 1.00 . A A . 48 CYS N 1 1 19 17090 1 1 48 CYS O O 12.612 1.424 -1.600 1.00 . A A . 48 CYS O 1 1 19 17091 1 1 48 CYS SG S 9.619 -0.766 -3.376 1.00 . A A . 48 CYS SG 1 1 19 17092 1 1 49 ILE C C 13.896 -1.532 -1.636 1.00 . A A . 49 ILE C 1 1 19 17093 1 1 49 ILE CA C 13.243 -0.934 -0.417 1.00 . A A . 49 ILE CA 1 1 19 17094 1 1 49 ILE CB C 13.246 -1.885 0.764 1.00 . A A . 49 ILE CB 1 1 19 17095 1 1 49 ILE CD1 C 13.223 -4.276 -0.165 1.00 . A A . 49 ILE CD1 1 1 19 17096 1 1 49 ILE CG1 C 12.471 -3.150 0.537 1.00 . A A . 49 ILE CG1 1 1 19 17097 1 1 49 ILE CG2 C 12.638 -1.167 1.917 1.00 . A A . 49 ILE CG2 1 1 19 17098 1 1 49 ILE H H 11.161 -0.996 -0.358 1.00 . A A . 49 ILE H 1 1 19 17099 1 1 49 ILE HA H 13.791 -0.071 -0.091 1.00 . A A . 49 ILE HA 1 1 19 17100 1 1 49 ILE HB H 14.273 -2.114 0.990 1.00 . A A . 49 ILE HB 1 1 19 17101 1 1 49 ILE HD11 H 13.550 -3.929 -1.136 1.00 . A A . 49 ILE HD11 1 1 19 17102 1 1 49 ILE HD12 H 12.574 -5.131 -0.285 1.00 . A A . 49 ILE HD12 1 1 19 17103 1 1 49 ILE HD13 H 14.080 -4.557 0.430 1.00 . A A . 49 ILE HD13 1 1 19 17104 1 1 49 ILE HG12 H 12.291 -3.375 1.566 1.00 . A A . 49 ILE HG12 1 1 19 17105 1 1 49 ILE HG13 H 11.533 -2.930 0.051 1.00 . A A . 49 ILE HG13 1 1 19 17106 1 1 49 ILE HG21 H 13.214 -0.289 2.162 1.00 . A A . 49 ILE HG21 1 1 19 17107 1 1 49 ILE HG22 H 12.512 -1.826 2.761 1.00 . A A . 49 ILE HG22 1 1 19 17108 1 1 49 ILE HG23 H 11.688 -0.865 1.495 1.00 . A A . 49 ILE HG23 1 1 19 17109 1 1 49 ILE N N 11.916 -0.450 -0.653 1.00 . A A . 49 ILE N 1 1 19 17110 1 1 49 ILE O O 15.107 -1.585 -1.739 1.00 . A A . 49 ILE O 1 1 19 17111 1 1 50 ASN C C 14.328 -1.718 -4.682 1.00 . A A . 50 ASN C 1 1 19 17112 1 1 50 ASN CA C 13.529 -2.634 -3.801 1.00 . A A . 50 ASN CA 1 1 19 17113 1 1 50 ASN CB C 12.339 -3.188 -4.628 1.00 . A A . 50 ASN CB 1 1 19 17114 1 1 50 ASN CG C 11.490 -4.224 -3.899 1.00 . A A . 50 ASN CG 1 1 19 17115 1 1 50 ASN H H 12.128 -1.730 -2.419 1.00 . A A . 50 ASN H 1 1 19 17116 1 1 50 ASN HA H 14.149 -3.464 -3.491 1.00 . A A . 50 ASN HA 1 1 19 17117 1 1 50 ASN HB2 H 11.703 -2.359 -4.894 1.00 . A A . 50 ASN HB2 1 1 19 17118 1 1 50 ASN HB3 H 12.739 -3.630 -5.529 1.00 . A A . 50 ASN HB3 1 1 19 17119 1 1 50 ASN HD21 H 9.832 -3.772 -4.979 1.00 . A A . 50 ASN HD21 1 1 19 17120 1 1 50 ASN HD22 H 9.660 -4.998 -3.813 1.00 . A A . 50 ASN HD22 1 1 19 17121 1 1 50 ASN N N 13.071 -1.921 -2.582 1.00 . A A . 50 ASN N 1 1 19 17122 1 1 50 ASN ND2 N 10.221 -4.332 -4.263 1.00 . A A . 50 ASN ND2 1 1 19 17123 1 1 50 ASN O O 15.255 -2.128 -5.371 1.00 . A A . 50 ASN O 1 1 19 17124 1 1 50 ASN OD1 O 11.974 -4.939 -3.034 1.00 . A A . 50 ASN OD1 1 1 19 17125 1 1 51 CYS C C 15.512 1.421 -4.660 1.00 . A A . 51 CYS C 1 1 19 17126 1 1 51 CYS CA C 14.526 0.542 -5.443 1.00 . A A . 51 CYS CA 1 1 19 17127 1 1 51 CYS CB C 13.370 1.373 -5.835 1.00 . A A . 51 CYS CB 1 1 19 17128 1 1 51 CYS H H 13.272 -0.195 -4.011 1.00 . A A . 51 CYS H 1 1 19 17129 1 1 51 CYS HA H 14.962 0.140 -6.343 1.00 . A A . 51 CYS HA 1 1 19 17130 1 1 51 CYS HB2 H 13.770 2.356 -5.979 1.00 . A A . 51 CYS HB2 1 1 19 17131 1 1 51 CYS HB3 H 12.757 1.057 -6.668 1.00 . A A . 51 CYS HB3 1 1 19 17132 1 1 51 CYS N N 13.972 -0.490 -4.631 1.00 . A A . 51 CYS N 1 1 19 17133 1 1 51 CYS O O 16.308 2.141 -5.245 1.00 . A A . 51 CYS O 1 1 19 17134 1 1 51 CYS SG S 12.286 1.628 -4.467 1.00 . A A . 51 CYS SG 1 1 19 17135 1 1 52 ALA C C 17.773 2.056 -2.715 1.00 . A A . 52 ALA C 1 1 19 17136 1 1 52 ALA CA C 16.266 2.204 -2.452 1.00 . A A . 52 ALA CA 1 1 19 17137 1 1 52 ALA CB C 15.953 1.901 -0.993 1.00 . A A . 52 ALA CB 1 1 19 17138 1 1 52 ALA H H 14.854 0.676 -2.943 1.00 . A A . 52 ALA H 1 1 19 17139 1 1 52 ALA HA H 15.990 3.232 -2.643 1.00 . A A . 52 ALA HA 1 1 19 17140 1 1 52 ALA HB1 H 16.254 0.891 -0.760 1.00 . A A . 52 ALA HB1 1 1 19 17141 1 1 52 ALA HB2 H 14.891 2.013 -0.822 1.00 . A A . 52 ALA HB2 1 1 19 17142 1 1 52 ALA HB3 H 16.489 2.591 -0.358 1.00 . A A . 52 ALA HB3 1 1 19 17143 1 1 52 ALA N N 15.446 1.348 -3.337 1.00 . A A . 52 ALA N 1 1 19 17144 2 2 1 ALA C C 1.144 8.544 -4.045 1.00 . B B . 301 ALA C 1 1 19 17145 2 2 1 ALA CA C 2.544 8.811 -3.575 1.00 . B B . 301 ALA CA 1 1 19 17146 2 2 1 ALA CB C 2.937 7.724 -2.581 1.00 . B B . 301 ALA CB 1 1 19 17147 2 2 1 ALA HA H 3.218 8.757 -4.418 1.00 . B B . 301 ALA HA 1 1 19 17148 2 2 1 ALA HB1 H 2.840 6.759 -3.063 1.00 . B B . 301 ALA HB1 1 1 19 17149 2 2 1 ALA HB2 H 2.255 7.746 -1.744 1.00 . B B . 301 ALA HB2 1 1 19 17150 2 2 1 ALA HB3 H 3.948 7.884 -2.237 1.00 . B B . 301 ALA HB3 1 1 19 17151 2 2 1 ALA N N 2.635 10.162 -2.959 1.00 . B B . 301 ALA N 1 1 19 17152 2 2 1 ALA O O 0.177 9.177 -3.571 1.00 . B B . 301 ALA O 1 1 19 17153 2 2 2 ARG C C -0.879 6.264 -4.413 1.00 . B B . 302 ARG C 1 1 19 17154 2 2 2 ARG CA C -0.288 7.228 -5.422 1.00 . B B . 302 ARG CA 1 1 19 17155 2 2 2 ARG CB C -0.244 6.634 -6.834 1.00 . B B . 302 ARG CB 1 1 19 17156 2 2 2 ARG CD C 0.200 7.065 -9.282 1.00 . B B . 302 ARG CD 1 1 19 17157 2 2 2 ARG CG C 0.220 7.640 -7.877 1.00 . B B . 302 ARG CG 1 1 19 17158 2 2 2 ARG CZ C 0.471 7.955 -11.605 1.00 . B B . 302 ARG CZ 1 1 19 17159 2 2 2 ARG H H 1.820 7.218 -5.344 1.00 . B B . 302 ARG H 1 1 19 17160 2 2 2 ARG HA H -0.909 8.112 -5.426 1.00 . B B . 302 ARG HA 1 1 19 17161 2 2 2 ARG HB2 H 0.437 5.795 -6.825 1.00 . B B . 302 ARG HB2 1 1 19 17162 2 2 2 ARG HB3 H -1.231 6.290 -7.109 1.00 . B B . 302 ARG HB3 1 1 19 17163 2 2 2 ARG HD2 H 0.870 6.219 -9.328 1.00 . B B . 302 ARG HD2 1 1 19 17164 2 2 2 ARG HD3 H -0.805 6.755 -9.527 1.00 . B B . 302 ARG HD3 1 1 19 17165 2 2 2 ARG HE H 1.092 8.848 -9.902 1.00 . B B . 302 ARG HE 1 1 19 17166 2 2 2 ARG HG2 H -0.437 8.495 -7.852 1.00 . B B . 302 ARG HG2 1 1 19 17167 2 2 2 ARG HG3 H 1.223 7.959 -7.638 1.00 . B B . 302 ARG HG3 1 1 19 17168 2 2 2 ARG HH11 H -0.541 6.167 -11.553 1.00 . B B . 302 ARG HH11 1 1 19 17169 2 2 2 ARG HH12 H -0.294 6.791 -13.106 1.00 . B B . 302 ARG HH12 1 1 19 17170 2 2 2 ARG HH21 H 1.412 9.713 -12.044 1.00 . B B . 302 ARG HH21 1 1 19 17171 2 2 2 ARG HH22 H 0.864 8.860 -13.407 1.00 . B B . 302 ARG HH22 1 1 19 17172 2 2 2 ARG N N 1.008 7.627 -4.975 1.00 . B B . 302 ARG N 1 1 19 17173 2 2 2 ARG NE N 0.638 8.059 -10.278 1.00 . B B . 302 ARG NE 1 1 19 17174 2 2 2 ARG NH1 N -0.161 6.907 -12.119 1.00 . B B . 302 ARG NH1 1 1 19 17175 2 2 2 ARG NH2 N 0.940 8.904 -12.408 1.00 . B B . 302 ARG NH2 1 1 19 17176 2 2 2 ARG O O -0.323 5.200 -4.149 1.00 . B B . 302 ARG O 1 1 19 17177 2 2 3 THR C C -4.015 5.503 -3.208 1.00 . B B . 303 THR C 1 1 19 17178 2 2 3 THR CA C -2.607 5.930 -2.796 1.00 . B B . 303 THR CA 1 1 19 17179 2 2 3 THR CB C -2.631 6.782 -1.509 1.00 . B B . 303 THR CB 1 1 19 17180 2 2 3 THR CG2 C -1.260 6.790 -0.843 1.00 . B B . 303 THR CG2 1 1 19 17181 2 2 3 THR H H -2.380 7.504 -4.118 1.00 . B B . 303 THR H 1 1 19 17182 2 2 3 THR HA H -2.020 5.045 -2.597 1.00 . B B . 303 THR HA 1 1 19 17183 2 2 3 THR HB H -3.357 6.362 -0.826 1.00 . B B . 303 THR HB 1 1 19 17184 2 2 3 THR HG1 H -2.207 8.663 -1.804 1.00 . B B . 303 THR HG1 1 1 19 17185 2 2 3 THR HG21 H -0.546 7.160 -1.563 1.00 . B B . 303 THR HG21 1 1 19 17186 2 2 3 THR HG22 H -1.006 5.772 -0.576 1.00 . B B . 303 THR HG22 1 1 19 17187 2 2 3 THR HG23 H -1.262 7.443 0.022 1.00 . B B . 303 THR HG23 1 1 19 17188 2 2 3 THR N N -1.961 6.662 -3.831 1.00 . B B . 303 THR N 1 1 19 17189 2 2 3 THR O O -4.568 6.024 -4.180 1.00 . B B . 303 THR O 1 1 19 17190 2 2 3 THR OG1 O -3.017 8.134 -1.835 1.00 . B B . 303 THR OG1 1 1 19 17191 2 2 4 . C C -6.411 3.249 -1.578 1.00 . B B . 304 M3L C 1 1 19 17192 2 2 4 . CA C -5.929 4.031 -2.763 1.00 . B B . 304 M3L CA 1 1 19 17193 2 2 4 . CB C -5.930 3.110 -3.997 1.00 . B B . 304 M3L CB 1 1 19 17194 2 2 4 . CD C -4.795 1.123 -5.051 1.00 . B B . 304 M3L CD 1 1 19 17195 2 2 4 . CE C -5.981 0.280 -5.455 1.00 . B B . 304 M3L CE 1 1 19 17196 2 2 4 . CG C -4.990 1.964 -3.824 1.00 . B B . 304 M3L CG 1 1 19 17197 2 2 4 . CM1 C -4.449 -1.354 -6.552 1.00 . B B . 304 M3L CM1 1 1 19 17198 2 2 4 . CM2 C -5.496 0.437 -7.855 1.00 . B B . 304 M3L CM2 1 1 19 17199 2 2 4 . CM3 C -6.776 -1.452 -7.010 1.00 . B B . 304 M3L CM3 1 1 19 17200 2 2 4 . H H -4.078 4.161 -1.729 1.00 . B B . 304 M3L H 1 1 19 17201 2 2 4 . HA H -6.588 4.868 -2.942 1.00 . B B . 304 M3L HA 1 1 19 17202 2 2 4 . HB2 H -5.655 3.668 -4.880 1.00 . B B . 304 M3L HB2 1 1 19 17203 2 2 4 . HB3 H -6.922 2.694 -4.094 1.00 . B B . 304 M3L HB3 1 1 19 17204 2 2 4 . HD2 H -3.929 0.500 -4.876 1.00 . B B . 304 M3L HD2 1 1 19 17205 2 2 4 . HD3 H -4.573 1.817 -5.840 1.00 . B B . 304 M3L HD3 1 1 19 17206 2 2 4 . HE2 H -6.835 0.915 -5.629 1.00 . B B . 304 M3L HE2 1 1 19 17207 2 2 4 . HE3 H -6.184 -0.388 -4.633 1.00 . B B . 304 M3L HE3 1 1 19 17208 2 2 4 . HG2 H -5.371 1.349 -3.020 1.00 . B B . 304 M3L HG2 1 1 19 17209 2 2 4 . HG3 H -4.033 2.390 -3.562 1.00 . B B . 304 M3L HG3 1 1 19 17210 2 2 4 . HM11 H -3.570 -0.746 -6.369 1.00 . B B . 304 M3L HM11 1 1 19 17211 2 2 4 . HM12 H -4.199 -1.921 -7.436 1.00 . B B . 304 M3L HM12 1 1 19 17212 2 2 4 . HM13 H -4.496 -2.063 -5.736 1.00 . B B . 304 M3L HM13 1 1 19 17213 2 2 4 . HM21 H -4.603 1.036 -7.725 1.00 . B B . 304 M3L HM21 1 1 19 17214 2 2 4 . HM22 H -6.312 1.137 -7.946 1.00 . B B . 304 M3L HM22 1 1 19 17215 2 2 4 . HM23 H -5.409 -0.044 -8.816 1.00 . B B . 304 M3L HM23 1 1 19 17216 2 2 4 . HM31 H -6.993 -2.087 -6.167 1.00 . B B . 304 M3L HM31 1 1 19 17217 2 2 4 . HM32 H -6.562 -2.114 -7.835 1.00 . B B . 304 M3L HM32 1 1 19 17218 2 2 4 . HM33 H -7.705 -0.964 -7.256 1.00 . B B . 304 M3L HM33 1 1 19 17219 2 2 4 . N N -4.578 4.543 -2.487 1.00 . B B . 304 M3L N 1 1 19 17220 2 2 4 . NZ N -5.679 -0.520 -6.721 1.00 . B B . 304 M3L NZ 1 1 19 17221 2 2 4 . O O -5.640 2.991 -0.652 1.00 . B B . 304 M3L O 1 1 19 17222 2 2 5 GLN C C -9.243 1.128 -1.289 1.00 . B B . 305 GLN C 1 1 19 17223 2 2 5 GLN CA C -8.256 2.059 -0.606 1.00 . B B . 305 GLN CA 1 1 19 17224 2 2 5 GLN CB C -8.961 2.955 0.412 1.00 . B B . 305 GLN CB 1 1 19 17225 2 2 5 GLN CD C -10.170 3.158 2.587 1.00 . B B . 305 GLN CD 1 1 19 17226 2 2 5 GLN CG C -9.510 2.223 1.608 1.00 . B B . 305 GLN CG 1 1 19 17227 2 2 5 GLN H H -8.220 3.115 -2.386 1.00 . B B . 305 GLN H 1 1 19 17228 2 2 5 GLN HA H -7.489 1.476 -0.118 1.00 . B B . 305 GLN HA 1 1 19 17229 2 2 5 GLN HB2 H -8.266 3.699 0.768 1.00 . B B . 305 GLN HB2 1 1 19 17230 2 2 5 GLN HB3 H -9.778 3.461 -0.079 1.00 . B B . 305 GLN HB3 1 1 19 17231 2 2 5 GLN HE21 H -8.434 3.490 3.475 1.00 . B B . 305 GLN HE21 1 1 19 17232 2 2 5 GLN HE22 H -9.791 4.311 4.135 1.00 . B B . 305 GLN HE22 1 1 19 17233 2 2 5 GLN HG2 H -10.236 1.500 1.265 1.00 . B B . 305 GLN HG2 1 1 19 17234 2 2 5 GLN HG3 H -8.696 1.711 2.101 1.00 . B B . 305 GLN HG3 1 1 19 17235 2 2 5 GLN N N -7.654 2.861 -1.626 1.00 . B B . 305 GLN N 1 1 19 17236 2 2 5 GLN NE2 N -9.401 3.701 3.480 1.00 . B B . 305 GLN NE2 1 1 19 17237 2 2 5 GLN O O -10.090 1.580 -2.056 1.00 . B B . 305 GLN O 1 1 19 17238 2 2 5 GLN OE1 O -11.373 3.408 2.512 1.00 . B B . 305 GLN OE1 1 1 19 17239 2 2 6 THR C C -11.016 -1.590 -0.658 1.00 . B B . 306 THR C 1 1 19 17240 2 2 6 THR CA C -9.994 -1.107 -1.681 1.00 . B B . 306 THR CA 1 1 19 17241 2 2 6 THR CB C -9.205 -2.326 -2.233 1.00 . B B . 306 THR CB 1 1 19 17242 2 2 6 THR CG2 C -8.219 -1.912 -3.347 1.00 . B B . 306 THR CG2 1 1 19 17243 2 2 6 THR H H -8.395 -0.454 -0.460 1.00 . B B . 306 THR H 1 1 19 17244 2 2 6 THR HA H -10.501 -0.622 -2.499 1.00 . B B . 306 THR HA 1 1 19 17245 2 2 6 THR HB H -9.923 -3.029 -2.636 1.00 . B B . 306 THR HB 1 1 19 17246 2 2 6 THR HG1 H -9.113 -2.989 -0.416 1.00 . B B . 306 THR HG1 1 1 19 17247 2 2 6 THR HG21 H -7.671 -2.782 -3.688 1.00 . B B . 306 THR HG21 1 1 19 17248 2 2 6 THR HG22 H -7.497 -1.207 -2.953 1.00 . B B . 306 THR HG22 1 1 19 17249 2 2 6 THR HG23 H -8.742 -1.472 -4.180 1.00 . B B . 306 THR HG23 1 1 19 17250 2 2 6 THR N N -9.105 -0.147 -1.068 1.00 . B B . 306 THR N 1 1 19 17251 2 2 6 THR O O -10.635 -2.070 0.423 1.00 . B B . 306 THR O 1 1 19 17252 2 2 6 THR OG1 O -8.487 -2.952 -1.154 1.00 . B B . 306 THR OG1 1 1 19 17253 2 2 7 ALA C C -13.864 -3.248 -0.529 1.00 . B B . 307 ALA C 1 1 19 17254 2 2 7 ALA CA C -13.328 -1.898 -0.084 1.00 . B B . 307 ALA CA 1 1 19 17255 2 2 7 ALA CB C -14.452 -0.860 -0.012 1.00 . B B . 307 ALA CB 1 1 19 17256 2 2 7 ALA H H -12.532 -1.077 -1.839 1.00 . B B . 307 ALA H 1 1 19 17257 2 2 7 ALA HA H -12.896 -2.009 0.897 1.00 . B B . 307 ALA HA 1 1 19 17258 2 2 7 ALA HB1 H -15.193 -1.183 0.708 1.00 . B B . 307 ALA HB1 1 1 19 17259 2 2 7 ALA HB2 H -14.915 -0.734 -0.978 1.00 . B B . 307 ALA HB2 1 1 19 17260 2 2 7 ALA HB3 H -14.040 0.082 0.322 1.00 . B B . 307 ALA HB3 1 1 19 17261 2 2 7 ALA N N -12.278 -1.463 -0.976 1.00 . B B . 307 ALA N 1 1 19 17262 2 2 7 ALA O O -14.225 -3.425 -1.688 1.00 . B B . 307 ALA O 1 1 19 17263 2 2 8 ARG C C -15.644 -5.779 0.904 1.00 . B B . 308 ARG C 1 1 19 17264 2 2 8 ARG CA C -14.392 -5.537 0.088 1.00 . B B . 308 ARG CA 1 1 19 17265 2 2 8 ARG CB C -13.351 -6.620 0.408 1.00 . B B . 308 ARG CB 1 1 19 17266 2 2 8 ARG CD C -12.148 -6.466 -1.827 1.00 . B B . 308 ARG CD 1 1 19 17267 2 2 8 ARG CG C -12.013 -6.477 -0.309 1.00 . B B . 308 ARG CG 1 1 19 17268 2 2 8 ARG CZ C -12.423 -8.234 -3.562 1.00 . B B . 308 ARG CZ 1 1 19 17269 2 2 8 ARG H H -13.588 -4.004 1.294 1.00 . B B . 308 ARG H 1 1 19 17270 2 2 8 ARG HA H -14.653 -5.585 -0.960 1.00 . B B . 308 ARG HA 1 1 19 17271 2 2 8 ARG HB2 H -13.155 -6.599 1.471 1.00 . B B . 308 ARG HB2 1 1 19 17272 2 2 8 ARG HB3 H -13.766 -7.586 0.155 1.00 . B B . 308 ARG HB3 1 1 19 17273 2 2 8 ARG HD2 H -12.768 -5.627 -2.110 1.00 . B B . 308 ARG HD2 1 1 19 17274 2 2 8 ARG HD3 H -11.162 -6.340 -2.248 1.00 . B B . 308 ARG HD3 1 1 19 17275 2 2 8 ARG HE H -13.462 -8.101 -1.825 1.00 . B B . 308 ARG HE 1 1 19 17276 2 2 8 ARG HG2 H -11.543 -5.555 0.000 1.00 . B B . 308 ARG HG2 1 1 19 17277 2 2 8 ARG HG3 H -11.384 -7.307 -0.019 1.00 . B B . 308 ARG HG3 1 1 19 17278 2 2 8 ARG HH11 H -10.823 -6.989 -3.948 1.00 . B B . 308 ARG HH11 1 1 19 17279 2 2 8 ARG HH12 H -11.112 -8.130 -5.161 1.00 . B B . 308 ARG HH12 1 1 19 17280 2 2 8 ARG HH21 H -13.870 -9.679 -3.524 1.00 . B B . 308 ARG HH21 1 1 19 17281 2 2 8 ARG HH22 H -12.922 -9.668 -4.927 1.00 . B B . 308 ARG HH22 1 1 19 17282 2 2 8 ARG N N -13.889 -4.199 0.379 1.00 . B B . 308 ARG N 1 1 19 17283 2 2 8 ARG NE N -12.746 -7.696 -2.372 1.00 . B B . 308 ARG NE 1 1 19 17284 2 2 8 ARG NH1 N -11.387 -7.750 -4.274 1.00 . B B . 308 ARG NH1 1 1 19 17285 2 2 8 ARG NH2 N -13.109 -9.262 -4.029 1.00 . B B . 308 ARG NH2 1 1 19 17286 2 2 8 ARG O O -15.874 -5.110 1.912 1.00 . B B . 308 ARG O 1 1 19 17287 2 2 9 LYS C C -17.619 -8.248 2.085 1.00 . B B . 309 LYS C 1 1 19 17288 2 2 9 LYS CA C -17.703 -7.015 1.179 1.00 . B B . 309 LYS CA 1 1 19 17289 2 2 9 LYS CB C -18.833 -7.158 0.147 1.00 . B B . 309 LYS CB 1 1 19 17290 2 2 9 LYS CD C -20.113 -6.058 -1.733 1.00 . B B . 309 LYS CD 1 1 19 17291 2 2 9 LYS CE C -20.231 -4.795 -2.591 1.00 . B B . 309 LYS CE 1 1 19 17292 2 2 9 LYS CG C -19.030 -5.895 -0.688 1.00 . B B . 309 LYS CG 1 1 19 17293 2 2 9 LYS H H -16.156 -7.297 -0.263 1.00 . B B . 309 LYS H 1 1 19 17294 2 2 9 LYS HA H -17.923 -6.160 1.798 1.00 . B B . 309 LYS HA 1 1 19 17295 2 2 9 LYS HB2 H -18.591 -7.976 -0.514 1.00 . B B . 309 LYS HB2 1 1 19 17296 2 2 9 LYS HB3 H -19.761 -7.382 0.651 1.00 . B B . 309 LYS HB3 1 1 19 17297 2 2 9 LYS HD2 H -19.868 -6.903 -2.360 1.00 . B B . 309 LYS HD2 1 1 19 17298 2 2 9 LYS HD3 H -21.056 -6.245 -1.241 1.00 . B B . 309 LYS HD3 1 1 19 17299 2 2 9 LYS HE2 H -20.508 -3.967 -1.957 1.00 . B B . 309 LYS HE2 1 1 19 17300 2 2 9 LYS HE3 H -19.256 -4.613 -3.019 1.00 . B B . 309 LYS HE3 1 1 19 17301 2 2 9 LYS HG2 H -19.303 -5.077 -0.039 1.00 . B B . 309 LYS HG2 1 1 19 17302 2 2 9 LYS HG3 H -18.097 -5.661 -1.177 1.00 . B B . 309 LYS HG3 1 1 19 17303 2 2 9 LYS HZ1 H -22.184 -5.088 -3.305 1.00 . B B . 309 LYS HZ1 1 1 19 17304 2 2 9 LYS HZ2 H -20.984 -5.735 -4.298 1.00 . B B . 309 LYS HZ2 1 1 19 17305 2 2 9 LYS HZ3 H -21.256 -4.081 -4.265 1.00 . B B . 309 LYS HZ3 1 1 19 17306 2 2 9 LYS N N -16.437 -6.740 0.497 1.00 . B B . 309 LYS N 1 1 19 17307 2 2 9 LYS NZ N -21.223 -4.937 -3.673 1.00 . B B . 309 LYS NZ 1 1 19 17308 3 3 1 ZN ZN ZN 10.250 0.742 -4.989 1.00 . C A . 53 ZN ZN 1 1 19 17309 4 3 1 ZN ZN ZN 0.464 -5.809 1.637 1.00 . D A . 54 ZN ZN 1 1 20 17310 1 1 1 SER C C -5.009 -8.591 -1.103 1.00 . A A . 1 SER C 1 1 20 17311 1 1 1 SER CA C -6.504 -8.434 -1.405 1.00 . A A . 1 SER CA 1 1 20 17312 1 1 1 SER CB C -7.157 -9.815 -1.594 1.00 . A A . 1 SER CB 1 1 20 17313 1 1 1 SER HA H -6.977 -7.914 -0.586 1.00 . A A . 1 SER HA 1 1 20 17314 1 1 1 SER HB2 H -6.645 -10.319 -2.399 1.00 . A A . 1 SER HB2 1 1 20 17315 1 1 1 SER HB3 H -7.072 -10.382 -0.676 1.00 . A A . 1 SER HB3 1 1 20 17316 1 1 1 SER HG H -9.048 -10.174 -1.267 1.00 . A A . 1 SER HG 1 1 20 17317 1 1 1 SER N N -6.686 -7.616 -2.624 1.00 . A A . 1 SER N 1 1 20 17318 1 1 1 SER O O -4.550 -8.324 0.022 1.00 . A A . 1 SER O 1 1 20 17319 1 1 1 SER OG O -8.544 -9.699 -1.936 1.00 . A A . 1 SER OG 1 1 20 17320 1 1 2 VAL C C -2.131 -8.094 -2.770 1.00 . A A . 2 VAL C 1 1 20 17321 1 1 2 VAL CA C -2.830 -9.190 -1.980 1.00 . A A . 2 VAL CA 1 1 20 17322 1 1 2 VAL CB C -2.343 -10.549 -2.549 1.00 . A A . 2 VAL CB 1 1 20 17323 1 1 2 VAL CG1 C -0.905 -10.854 -2.117 1.00 . A A . 2 VAL CG1 1 1 20 17324 1 1 2 VAL CG2 C -3.288 -11.689 -2.227 1.00 . A A . 2 VAL CG2 1 1 20 17325 1 1 2 VAL H H -4.669 -9.137 -2.990 1.00 . A A . 2 VAL H 1 1 20 17326 1 1 2 VAL HA H -2.617 -9.119 -0.920 1.00 . A A . 2 VAL HA 1 1 20 17327 1 1 2 VAL HB H -2.310 -10.422 -3.622 1.00 . A A . 2 VAL HB 1 1 20 17328 1 1 2 VAL HG11 H -0.238 -10.077 -2.468 1.00 . A A . 2 VAL HG11 1 1 20 17329 1 1 2 VAL HG12 H -0.585 -11.802 -2.519 1.00 . A A . 2 VAL HG12 1 1 20 17330 1 1 2 VAL HG13 H -0.854 -10.885 -1.039 1.00 . A A . 2 VAL HG13 1 1 20 17331 1 1 2 VAL HG21 H -2.913 -12.593 -2.684 1.00 . A A . 2 VAL HG21 1 1 20 17332 1 1 2 VAL HG22 H -4.263 -11.474 -2.637 1.00 . A A . 2 VAL HG22 1 1 20 17333 1 1 2 VAL HG23 H -3.372 -11.815 -1.159 1.00 . A A . 2 VAL HG23 1 1 20 17334 1 1 2 VAL N N -4.258 -8.986 -2.110 1.00 . A A . 2 VAL N 1 1 20 17335 1 1 2 VAL O O -2.641 -7.648 -3.789 1.00 . A A . 2 VAL O 1 1 20 17336 1 1 3 CYS C C 1.152 -7.197 -3.065 1.00 . A A . 3 CYS C 1 1 20 17337 1 1 3 CYS CA C -0.259 -6.621 -2.934 1.00 . A A . 3 CYS CA 1 1 20 17338 1 1 3 CYS CB C -0.187 -5.393 -2.082 1.00 . A A . 3 CYS CB 1 1 20 17339 1 1 3 CYS H H -0.665 -8.023 -1.453 1.00 . A A . 3 CYS H 1 1 20 17340 1 1 3 CYS HA H -0.677 -6.403 -3.906 1.00 . A A . 3 CYS HA 1 1 20 17341 1 1 3 CYS HB2 H 0.001 -4.534 -2.711 1.00 . A A . 3 CYS HB2 1 1 20 17342 1 1 3 CYS HB3 H -1.121 -5.261 -1.556 1.00 . A A . 3 CYS HB3 1 1 20 17343 1 1 3 CYS N N -1.029 -7.635 -2.274 1.00 . A A . 3 CYS N 1 1 20 17344 1 1 3 CYS O O 1.403 -8.280 -2.525 1.00 . A A . 3 CYS O 1 1 20 17345 1 1 3 CYS SG S 1.115 -5.504 -0.875 1.00 . A A . 3 CYS SG 1 1 20 17346 1 1 4 ALA C C 4.413 -6.575 -2.865 1.00 . A A . 4 ALA C 1 1 20 17347 1 1 4 ALA CA C 3.373 -7.134 -3.835 1.00 . A A . 4 ALA CA 1 1 20 17348 1 1 4 ALA CB C 3.882 -7.016 -5.237 1.00 . A A . 4 ALA CB 1 1 20 17349 1 1 4 ALA H H 1.774 -5.612 -3.982 1.00 . A A . 4 ALA H 1 1 20 17350 1 1 4 ALA HA H 3.246 -8.188 -3.630 1.00 . A A . 4 ALA HA 1 1 20 17351 1 1 4 ALA HB1 H 4.045 -5.960 -5.408 1.00 . A A . 4 ALA HB1 1 1 20 17352 1 1 4 ALA HB2 H 3.148 -7.406 -5.925 1.00 . A A . 4 ALA HB2 1 1 20 17353 1 1 4 ALA HB3 H 4.825 -7.538 -5.314 1.00 . A A . 4 ALA HB3 1 1 20 17354 1 1 4 ALA N N 2.079 -6.509 -3.715 1.00 . A A . 4 ALA N 1 1 20 17355 1 1 4 ALA O O 5.305 -5.827 -3.239 1.00 . A A . 4 ALA O 1 1 20 17356 1 1 5 ALA C C 5.786 -8.110 -0.132 1.00 . A A . 5 ALA C 1 1 20 17357 1 1 5 ALA CA C 5.311 -6.744 -0.636 1.00 . A A . 5 ALA CA 1 1 20 17358 1 1 5 ALA CB C 4.867 -5.857 0.515 1.00 . A A . 5 ALA CB 1 1 20 17359 1 1 5 ALA H H 3.294 -6.780 -1.360 1.00 . A A . 5 ALA H 1 1 20 17360 1 1 5 ALA HA H 6.138 -6.260 -1.136 1.00 . A A . 5 ALA HA 1 1 20 17361 1 1 5 ALA HB1 H 5.697 -5.681 1.179 1.00 . A A . 5 ALA HB1 1 1 20 17362 1 1 5 ALA HB2 H 4.071 -6.337 1.062 1.00 . A A . 5 ALA HB2 1 1 20 17363 1 1 5 ALA HB3 H 4.507 -4.919 0.121 1.00 . A A . 5 ALA HB3 1 1 20 17364 1 1 5 ALA N N 4.227 -6.868 -1.606 1.00 . A A . 5 ALA N 1 1 20 17365 1 1 5 ALA O O 4.985 -9.037 -0.003 1.00 . A A . 5 ALA O 1 1 20 17366 1 1 6 GLN C C 7.013 -10.115 1.754 1.00 . A A . 6 GLN C 1 1 20 17367 1 1 6 GLN CA C 7.771 -9.444 0.616 1.00 . A A . 6 GLN CA 1 1 20 17368 1 1 6 GLN CB C 9.169 -9.100 1.127 1.00 . A A . 6 GLN CB 1 1 20 17369 1 1 6 GLN CD C 11.390 -8.041 0.731 1.00 . A A . 6 GLN CD 1 1 20 17370 1 1 6 GLN CG C 10.106 -8.506 0.098 1.00 . A A . 6 GLN CG 1 1 20 17371 1 1 6 GLN H H 7.663 -7.425 -0.062 1.00 . A A . 6 GLN H 1 1 20 17372 1 1 6 GLN HA H 7.878 -10.137 -0.204 1.00 . A A . 6 GLN HA 1 1 20 17373 1 1 6 GLN HB2 H 9.076 -8.403 1.946 1.00 . A A . 6 GLN HB2 1 1 20 17374 1 1 6 GLN HB3 H 9.616 -10.001 1.517 1.00 . A A . 6 GLN HB3 1 1 20 17375 1 1 6 GLN HE21 H 12.213 -9.830 0.519 1.00 . A A . 6 GLN HE21 1 1 20 17376 1 1 6 GLN HE22 H 13.191 -8.618 1.250 1.00 . A A . 6 GLN HE22 1 1 20 17377 1 1 6 GLN HG2 H 10.332 -9.256 -0.647 1.00 . A A . 6 GLN HG2 1 1 20 17378 1 1 6 GLN HG3 H 9.623 -7.661 -0.366 1.00 . A A . 6 GLN HG3 1 1 20 17379 1 1 6 GLN N N 7.105 -8.208 0.132 1.00 . A A . 6 GLN N 1 1 20 17380 1 1 6 GLN NE2 N 12.352 -8.913 0.839 1.00 . A A . 6 GLN NE2 1 1 20 17381 1 1 6 GLN O O 6.699 -11.309 1.693 1.00 . A A . 6 GLN O 1 1 20 17382 1 1 6 GLN OE1 O 11.497 -6.902 1.143 1.00 . A A . 6 GLN OE1 1 1 20 17383 1 1 7 ASN C C 4.642 -9.238 3.970 1.00 . A A . 7 ASN C 1 1 20 17384 1 1 7 ASN CA C 5.986 -9.889 3.899 1.00 . A A . 7 ASN CA 1 1 20 17385 1 1 7 ASN CB C 6.770 -9.696 5.210 1.00 . A A . 7 ASN CB 1 1 20 17386 1 1 7 ASN CG C 6.109 -10.343 6.435 1.00 . A A . 7 ASN CG 1 1 20 17387 1 1 7 ASN H H 6.932 -8.403 2.769 1.00 . A A . 7 ASN H 1 1 20 17388 1 1 7 ASN HA H 5.853 -10.946 3.717 1.00 . A A . 7 ASN HA 1 1 20 17389 1 1 7 ASN HB2 H 7.758 -10.117 5.079 1.00 . A A . 7 ASN HB2 1 1 20 17390 1 1 7 ASN HB3 H 6.870 -8.635 5.389 1.00 . A A . 7 ASN HB3 1 1 20 17391 1 1 7 ASN HD21 H 5.155 -8.666 6.866 1.00 . A A . 7 ASN HD21 1 1 20 17392 1 1 7 ASN HD22 H 4.888 -9.986 7.944 1.00 . A A . 7 ASN HD22 1 1 20 17393 1 1 7 ASN N N 6.697 -9.353 2.770 1.00 . A A . 7 ASN N 1 1 20 17394 1 1 7 ASN ND2 N 5.298 -9.597 7.145 1.00 . A A . 7 ASN ND2 1 1 20 17395 1 1 7 ASN O O 4.413 -8.313 4.748 1.00 . A A . 7 ASN O 1 1 20 17396 1 1 7 ASN OD1 O 6.347 -11.513 6.735 1.00 . A A . 7 ASN OD1 1 1 20 17397 1 1 8 CYS C C 1.475 -9.935 3.740 1.00 . A A . 8 CYS C 1 1 20 17398 1 1 8 CYS CA C 2.501 -9.062 3.053 1.00 . A A . 8 CYS CA 1 1 20 17399 1 1 8 CYS CB C 2.023 -8.708 1.655 1.00 . A A . 8 CYS CB 1 1 20 17400 1 1 8 CYS H H 4.018 -10.299 2.410 1.00 . A A . 8 CYS H 1 1 20 17401 1 1 8 CYS HA H 2.576 -8.145 3.612 1.00 . A A . 8 CYS HA 1 1 20 17402 1 1 8 CYS HB2 H 2.647 -8.003 1.130 1.00 . A A . 8 CYS HB2 1 1 20 17403 1 1 8 CYS HB3 H 1.997 -9.620 1.077 1.00 . A A . 8 CYS HB3 1 1 20 17404 1 1 8 CYS N N 3.794 -9.615 3.074 1.00 . A A . 8 CYS N 1 1 20 17405 1 1 8 CYS O O 1.459 -11.165 3.572 1.00 . A A . 8 CYS O 1 1 20 17406 1 1 8 CYS SG S 0.343 -8.097 1.690 1.00 . A A . 8 CYS SG 1 1 20 17407 1 1 9 GLN C C -1.715 -9.444 4.259 1.00 . A A . 9 GLN C 1 1 20 17408 1 1 9 GLN CA C -0.515 -9.916 5.055 1.00 . A A . 9 GLN CA 1 1 20 17409 1 1 9 GLN CB C -0.702 -9.673 6.552 1.00 . A A . 9 GLN CB 1 1 20 17410 1 1 9 GLN CD C 0.045 -10.234 8.893 1.00 . A A . 9 GLN CD 1 1 20 17411 1 1 9 GLN CG C 0.383 -10.298 7.419 1.00 . A A . 9 GLN CG 1 1 20 17412 1 1 9 GLN H H 0.956 -8.373 4.632 1.00 . A A . 9 GLN H 1 1 20 17413 1 1 9 GLN HA H -0.395 -10.973 4.869 1.00 . A A . 9 GLN HA 1 1 20 17414 1 1 9 GLN HB2 H -0.689 -8.607 6.731 1.00 . A A . 9 GLN HB2 1 1 20 17415 1 1 9 GLN HB3 H -1.655 -10.078 6.863 1.00 . A A . 9 GLN HB3 1 1 20 17416 1 1 9 GLN HE21 H 0.892 -8.444 9.102 1.00 . A A . 9 GLN HE21 1 1 20 17417 1 1 9 GLN HE22 H 0.213 -9.128 10.508 1.00 . A A . 9 GLN HE22 1 1 20 17418 1 1 9 GLN HG2 H 0.483 -11.338 7.146 1.00 . A A . 9 GLN HG2 1 1 20 17419 1 1 9 GLN HG3 H 1.318 -9.783 7.250 1.00 . A A . 9 GLN HG3 1 1 20 17420 1 1 9 GLN N N 0.651 -9.294 4.520 1.00 . A A . 9 GLN N 1 1 20 17421 1 1 9 GLN NE2 N 0.416 -9.175 9.552 1.00 . A A . 9 GLN NE2 1 1 20 17422 1 1 9 GLN O O -1.805 -8.262 3.889 1.00 . A A . 9 GLN O 1 1 20 17423 1 1 9 GLN OE1 O -0.572 -11.153 9.435 1.00 . A A . 9 GLN OE1 1 1 20 17424 1 1 10 ARG C C -4.928 -9.821 4.161 1.00 . A A . 10 ARG C 1 1 20 17425 1 1 10 ARG CA C -3.786 -10.120 3.216 1.00 . A A . 10 ARG CA 1 1 20 17426 1 1 10 ARG CB C -4.096 -11.372 2.421 1.00 . A A . 10 ARG CB 1 1 20 17427 1 1 10 ARG CD C -3.239 -13.110 0.871 1.00 . A A . 10 ARG CD 1 1 20 17428 1 1 10 ARG CG C -3.018 -11.731 1.431 1.00 . A A . 10 ARG CG 1 1 20 17429 1 1 10 ARG CZ C -3.118 -15.445 1.694 1.00 . A A . 10 ARG CZ 1 1 20 17430 1 1 10 ARG H H -2.587 -11.258 4.337 1.00 . A A . 10 ARG H 1 1 20 17431 1 1 10 ARG HA H -3.606 -9.301 2.540 1.00 . A A . 10 ARG HA 1 1 20 17432 1 1 10 ARG HB2 H -4.214 -12.193 3.111 1.00 . A A . 10 ARG HB2 1 1 20 17433 1 1 10 ARG HB3 H -5.026 -11.229 1.889 1.00 . A A . 10 ARG HB3 1 1 20 17434 1 1 10 ARG HD2 H -4.240 -13.156 0.471 1.00 . A A . 10 ARG HD2 1 1 20 17435 1 1 10 ARG HD3 H -2.511 -13.295 0.093 1.00 . A A . 10 ARG HD3 1 1 20 17436 1 1 10 ARG HE H -2.941 -13.777 2.816 1.00 . A A . 10 ARG HE 1 1 20 17437 1 1 10 ARG HG2 H -3.026 -11.002 0.634 1.00 . A A . 10 ARG HG2 1 1 20 17438 1 1 10 ARG HG3 H -2.063 -11.704 1.935 1.00 . A A . 10 ARG HG3 1 1 20 17439 1 1 10 ARG HH11 H -3.625 -15.364 -0.322 1.00 . A A . 10 ARG HH11 1 1 20 17440 1 1 10 ARG HH12 H -3.395 -16.921 0.310 1.00 . A A . 10 ARG HH12 1 1 20 17441 1 1 10 ARG HH21 H -2.683 -15.977 3.638 1.00 . A A . 10 ARG HH21 1 1 20 17442 1 1 10 ARG HH22 H -2.886 -17.268 2.543 1.00 . A A . 10 ARG HH22 1 1 20 17443 1 1 10 ARG N N -2.606 -10.353 3.988 1.00 . A A . 10 ARG N 1 1 20 17444 1 1 10 ARG NE N -3.101 -14.129 1.910 1.00 . A A . 10 ARG NE 1 1 20 17445 1 1 10 ARG NH1 N -3.408 -15.931 0.480 1.00 . A A . 10 ARG NH1 1 1 20 17446 1 1 10 ARG NH2 N -2.885 -16.275 2.697 1.00 . A A . 10 ARG NH2 1 1 20 17447 1 1 10 ARG O O -5.467 -10.729 4.809 1.00 . A A . 10 ARG O 1 1 20 17448 1 1 11 PRO C C -7.714 -8.508 4.755 1.00 . A A . 11 PRO C 1 1 20 17449 1 1 11 PRO CA C -6.314 -8.126 5.218 1.00 . A A . 11 PRO CA 1 1 20 17450 1 1 11 PRO CB C -6.138 -6.603 5.269 1.00 . A A . 11 PRO CB 1 1 20 17451 1 1 11 PRO CD C -4.675 -7.425 3.555 1.00 . A A . 11 PRO CD 1 1 20 17452 1 1 11 PRO CG C -5.512 -6.246 3.957 1.00 . A A . 11 PRO CG 1 1 20 17453 1 1 11 PRO HA H -6.137 -8.544 6.199 1.00 . A A . 11 PRO HA 1 1 20 17454 1 1 11 PRO HB2 H -7.099 -6.128 5.404 1.00 . A A . 11 PRO HB2 1 1 20 17455 1 1 11 PRO HB3 H -5.489 -6.350 6.095 1.00 . A A . 11 PRO HB3 1 1 20 17456 1 1 11 PRO HD2 H -4.643 -7.595 2.482 1.00 . A A . 11 PRO HD2 1 1 20 17457 1 1 11 PRO HD3 H -3.667 -7.272 3.910 1.00 . A A . 11 PRO HD3 1 1 20 17458 1 1 11 PRO HG2 H -6.270 -6.058 3.210 1.00 . A A . 11 PRO HG2 1 1 20 17459 1 1 11 PRO HG3 H -4.886 -5.373 4.070 1.00 . A A . 11 PRO HG3 1 1 20 17460 1 1 11 PRO N N -5.282 -8.553 4.288 1.00 . A A . 11 PRO N 1 1 20 17461 1 1 11 PRO O O -8.466 -9.145 5.497 1.00 . A A . 11 PRO O 1 1 20 17462 1 1 12 CYS C C -10.509 -7.767 3.736 1.00 . A A . 12 CYS C 1 1 20 17463 1 1 12 CYS CA C -9.357 -8.361 2.905 1.00 . A A . 12 CYS CA 1 1 20 17464 1 1 12 CYS CB C -9.559 -9.864 2.668 1.00 . A A . 12 CYS CB 1 1 20 17465 1 1 12 CYS H H -7.375 -7.634 3.000 1.00 . A A . 12 CYS H 1 1 20 17466 1 1 12 CYS HA H -9.336 -7.858 1.950 1.00 . A A . 12 CYS HA 1 1 20 17467 1 1 12 CYS HB2 H -9.558 -10.371 3.622 1.00 . A A . 12 CYS HB2 1 1 20 17468 1 1 12 CYS HB3 H -10.515 -10.012 2.187 1.00 . A A . 12 CYS HB3 1 1 20 17469 1 1 12 CYS HG H -8.264 -11.901 1.974 1.00 . A A . 12 CYS HG 1 1 20 17470 1 1 12 CYS N N -8.048 -8.107 3.521 1.00 . A A . 12 CYS N 1 1 20 17471 1 1 12 CYS O O -11.657 -8.168 3.598 1.00 . A A . 12 CYS O 1 1 20 17472 1 1 12 CYS SG S -8.283 -10.619 1.626 1.00 . A A . 12 CYS SG 1 1 20 17473 1 1 13 LYS C C -11.959 -5.180 4.394 1.00 . A A . 13 LYS C 1 1 20 17474 1 1 13 LYS CA C -11.197 -6.080 5.352 1.00 . A A . 13 LYS CA 1 1 20 17475 1 1 13 LYS CB C -10.559 -5.212 6.451 1.00 . A A . 13 LYS CB 1 1 20 17476 1 1 13 LYS CD C -9.214 -4.912 8.456 1.00 . A A . 13 LYS CD 1 1 20 17477 1 1 13 LYS CE C -8.304 -5.541 9.440 1.00 . A A . 13 LYS CE 1 1 20 17478 1 1 13 LYS CG C -9.720 -5.926 7.450 1.00 . A A . 13 LYS CG 1 1 20 17479 1 1 13 LYS H H -9.243 -6.557 4.669 1.00 . A A . 13 LYS H 1 1 20 17480 1 1 13 LYS HA H -11.869 -6.803 5.789 1.00 . A A . 13 LYS HA 1 1 20 17481 1 1 13 LYS HB2 H -9.909 -4.479 6.001 1.00 . A A . 13 LYS HB2 1 1 20 17482 1 1 13 LYS HB3 H -11.277 -4.664 7.038 1.00 . A A . 13 LYS HB3 1 1 20 17483 1 1 13 LYS HD2 H -8.699 -4.123 7.929 1.00 . A A . 13 LYS HD2 1 1 20 17484 1 1 13 LYS HD3 H -10.061 -4.495 8.984 1.00 . A A . 13 LYS HD3 1 1 20 17485 1 1 13 LYS HE2 H -7.759 -6.119 8.715 1.00 . A A . 13 LYS HE2 1 1 20 17486 1 1 13 LYS HE3 H -7.685 -4.815 9.941 1.00 . A A . 13 LYS HE3 1 1 20 17487 1 1 13 LYS HG2 H -10.320 -6.674 7.950 1.00 . A A . 13 LYS HG2 1 1 20 17488 1 1 13 LYS HG3 H -8.875 -6.384 6.957 1.00 . A A . 13 LYS HG3 1 1 20 17489 1 1 13 LYS HZ1 H -8.323 -6.850 11.066 1.00 . A A . 13 LYS HZ1 1 1 20 17490 1 1 13 LYS HZ2 H -9.411 -7.295 9.866 1.00 . A A . 13 LYS HZ2 1 1 20 17491 1 1 13 LYS HZ3 H -9.740 -6.011 10.899 1.00 . A A . 13 LYS HZ3 1 1 20 17492 1 1 13 LYS N N -10.185 -6.795 4.582 1.00 . A A . 13 LYS N 1 1 20 17493 1 1 13 LYS NZ N -8.989 -6.484 10.356 1.00 . A A . 13 LYS NZ 1 1 20 17494 1 1 13 LYS O O -11.560 -5.039 3.239 1.00 . A A . 13 LYS O 1 1 20 17495 1 1 14 ASP C C -13.028 -2.567 3.379 1.00 . A A . 14 ASP C 1 1 20 17496 1 1 14 ASP CA C -13.833 -3.698 4.042 1.00 . A A . 14 ASP CA 1 1 20 17497 1 1 14 ASP CB C -15.068 -3.174 4.819 1.00 . A A . 14 ASP CB 1 1 20 17498 1 1 14 ASP CG C -14.735 -2.484 6.141 1.00 . A A . 14 ASP CG 1 1 20 17499 1 1 14 ASP H H -13.236 -4.662 5.817 1.00 . A A . 14 ASP H 1 1 20 17500 1 1 14 ASP HA H -14.185 -4.322 3.232 1.00 . A A . 14 ASP HA 1 1 20 17501 1 1 14 ASP HB2 H -15.604 -2.469 4.202 1.00 . A A . 14 ASP HB2 1 1 20 17502 1 1 14 ASP HB3 H -15.713 -4.016 5.023 1.00 . A A . 14 ASP HB3 1 1 20 17503 1 1 14 ASP N N -13.002 -4.563 4.871 1.00 . A A . 14 ASP N 1 1 20 17504 1 1 14 ASP O O -12.797 -2.598 2.182 1.00 . A A . 14 ASP O 1 1 20 17505 1 1 14 ASP OD1 O -14.437 -1.277 6.141 1.00 . A A . 14 ASP OD1 1 1 20 17506 1 1 14 ASP OD2 O -14.757 -3.166 7.201 1.00 . A A . 14 ASP OD2 1 1 20 17507 1 1 15 LYS C C -10.357 -0.670 3.945 1.00 . A A . 15 LYS C 1 1 20 17508 1 1 15 LYS CA C -11.829 -0.516 3.575 1.00 . A A . 15 LYS CA 1 1 20 17509 1 1 15 LYS CB C -12.384 0.804 4.075 1.00 . A A . 15 LYS CB 1 1 20 17510 1 1 15 LYS CD C -14.483 2.115 4.468 1.00 . A A . 15 LYS CD 1 1 20 17511 1 1 15 LYS CE C -15.983 2.052 4.327 1.00 . A A . 15 LYS CE 1 1 20 17512 1 1 15 LYS CG C -13.866 0.924 3.804 1.00 . A A . 15 LYS CG 1 1 20 17513 1 1 15 LYS H H -12.891 -1.538 5.069 1.00 . A A . 15 LYS H 1 1 20 17514 1 1 15 LYS HA H -11.923 -0.545 2.501 1.00 . A A . 15 LYS HA 1 1 20 17515 1 1 15 LYS HB2 H -12.220 0.881 5.138 1.00 . A A . 15 LYS HB2 1 1 20 17516 1 1 15 LYS HB3 H -11.881 1.618 3.575 1.00 . A A . 15 LYS HB3 1 1 20 17517 1 1 15 LYS HD2 H -14.212 2.115 5.513 1.00 . A A . 15 LYS HD2 1 1 20 17518 1 1 15 LYS HD3 H -14.127 3.013 3.987 1.00 . A A . 15 LYS HD3 1 1 20 17519 1 1 15 LYS HE2 H -16.224 1.046 4.639 1.00 . A A . 15 LYS HE2 1 1 20 17520 1 1 15 LYS HE3 H -16.459 2.792 4.952 1.00 . A A . 15 LYS HE3 1 1 20 17521 1 1 15 LYS HG2 H -14.016 1.013 2.738 1.00 . A A . 15 LYS HG2 1 1 20 17522 1 1 15 LYS HG3 H -14.346 0.023 4.164 1.00 . A A . 15 LYS HG3 1 1 20 17523 1 1 15 LYS HZ1 H -16.077 1.400 2.320 1.00 . A A . 15 LYS HZ1 1 1 20 17524 1 1 15 LYS HZ2 H -16.126 3.077 2.491 1.00 . A A . 15 LYS HZ2 1 1 20 17525 1 1 15 LYS HZ3 H -17.459 2.137 2.862 1.00 . A A . 15 LYS HZ3 1 1 20 17526 1 1 15 LYS N N -12.615 -1.589 4.126 1.00 . A A . 15 LYS N 1 1 20 17527 1 1 15 LYS NZ N -16.422 2.176 2.918 1.00 . A A . 15 LYS NZ 1 1 20 17528 1 1 15 LYS O O -9.949 -0.372 5.074 1.00 . A A . 15 LYS O 1 1 20 17529 1 1 16 VAL C C -7.373 -0.385 2.308 1.00 . A A . 16 VAL C 1 1 20 17530 1 1 16 VAL CA C -8.145 -1.330 3.223 1.00 . A A . 16 VAL CA 1 1 20 17531 1 1 16 VAL CB C -7.634 -2.795 3.080 1.00 . A A . 16 VAL CB 1 1 20 17532 1 1 16 VAL CG1 C -8.296 -3.684 4.110 1.00 . A A . 16 VAL CG1 1 1 20 17533 1 1 16 VAL CG2 C -7.867 -3.342 1.680 1.00 . A A . 16 VAL CG2 1 1 20 17534 1 1 16 VAL H H -9.989 -1.472 2.173 1.00 . A A . 16 VAL H 1 1 20 17535 1 1 16 VAL HA H -7.969 -0.995 4.236 1.00 . A A . 16 VAL HA 1 1 20 17536 1 1 16 VAL HB H -6.571 -2.785 3.276 1.00 . A A . 16 VAL HB 1 1 20 17537 1 1 16 VAL HG11 H -8.089 -3.308 5.102 1.00 . A A . 16 VAL HG11 1 1 20 17538 1 1 16 VAL HG12 H -7.917 -4.690 4.012 1.00 . A A . 16 VAL HG12 1 1 20 17539 1 1 16 VAL HG13 H -9.362 -3.680 3.936 1.00 . A A . 16 VAL HG13 1 1 20 17540 1 1 16 VAL HG21 H -7.307 -2.726 0.991 1.00 . A A . 16 VAL HG21 1 1 20 17541 1 1 16 VAL HG22 H -8.920 -3.299 1.448 1.00 . A A . 16 VAL HG22 1 1 20 17542 1 1 16 VAL HG23 H -7.534 -4.369 1.639 1.00 . A A . 16 VAL HG23 1 1 20 17543 1 1 16 VAL N N -9.576 -1.189 3.015 1.00 . A A . 16 VAL N 1 1 20 17544 1 1 16 VAL O O -7.730 -0.212 1.130 1.00 . A A . 16 VAL O 1 1 20 17545 1 1 17 ASP C C -4.279 0.726 1.508 1.00 . A A . 17 ASP C 1 1 20 17546 1 1 17 ASP CA C -5.556 1.262 2.179 1.00 . A A . 17 ASP CA 1 1 20 17547 1 1 17 ASP CB C -5.202 2.376 3.188 1.00 . A A . 17 ASP CB 1 1 20 17548 1 1 17 ASP CG C -6.433 2.998 3.866 1.00 . A A . 17 ASP CG 1 1 20 17549 1 1 17 ASP H H -6.042 -0.096 3.731 1.00 . A A . 17 ASP H 1 1 20 17550 1 1 17 ASP HA H -6.187 1.685 1.409 1.00 . A A . 17 ASP HA 1 1 20 17551 1 1 17 ASP HB2 H -4.572 1.967 3.964 1.00 . A A . 17 ASP HB2 1 1 20 17552 1 1 17 ASP HB3 H -4.665 3.157 2.673 1.00 . A A . 17 ASP HB3 1 1 20 17553 1 1 17 ASP N N -6.325 0.196 2.845 1.00 . A A . 17 ASP N 1 1 20 17554 1 1 17 ASP O O -3.654 -0.248 1.985 1.00 . A A . 17 ASP O 1 1 20 17555 1 1 17 ASP OD1 O -7.050 3.916 3.290 1.00 . A A . 17 ASP OD1 1 1 20 17556 1 1 17 ASP OD2 O -6.782 2.572 4.999 1.00 . A A . 17 ASP OD2 1 1 20 17557 1 1 18 TRP C C -1.851 2.153 -0.757 1.00 . A A . 18 TRP C 1 1 20 17558 1 1 18 TRP CA C -2.763 0.955 -0.448 1.00 . A A . 18 TRP CA 1 1 20 17559 1 1 18 TRP CB C -3.294 0.465 -1.800 1.00 . A A . 18 TRP CB 1 1 20 17560 1 1 18 TRP CD1 C -5.540 -0.593 -1.238 1.00 . A A . 18 TRP CD1 1 1 20 17561 1 1 18 TRP CD2 C -4.187 -1.904 -2.378 1.00 . A A . 18 TRP CD2 1 1 20 17562 1 1 18 TRP CE2 C -5.357 -2.610 -2.108 1.00 . A A . 18 TRP CE2 1 1 20 17563 1 1 18 TRP CE3 C -3.204 -2.505 -3.101 1.00 . A A . 18 TRP CE3 1 1 20 17564 1 1 18 TRP CG C -4.303 -0.639 -1.766 1.00 . A A . 18 TRP CG 1 1 20 17565 1 1 18 TRP CH2 C -4.563 -4.474 -3.279 1.00 . A A . 18 TRP CH2 1 1 20 17566 1 1 18 TRP CZ2 C -5.561 -3.907 -2.542 1.00 . A A . 18 TRP CZ2 1 1 20 17567 1 1 18 TRP CZ3 C -3.394 -3.783 -3.561 1.00 . A A . 18 TRP CZ3 1 1 20 17568 1 1 18 TRP H H -4.454 2.156 0.182 1.00 . A A . 18 TRP H 1 1 20 17569 1 1 18 TRP HA H -2.217 0.153 0.026 1.00 . A A . 18 TRP HA 1 1 20 17570 1 1 18 TRP HB2 H -3.767 1.309 -2.264 1.00 . A A . 18 TRP HB2 1 1 20 17571 1 1 18 TRP HB3 H -2.476 0.164 -2.433 1.00 . A A . 18 TRP HB3 1 1 20 17572 1 1 18 TRP HD1 H -5.909 0.287 -0.736 1.00 . A A . 18 TRP HD1 1 1 20 17573 1 1 18 TRP HE1 H -7.051 -2.023 -1.043 1.00 . A A . 18 TRP HE1 1 1 20 17574 1 1 18 TRP HE3 H -2.313 -1.947 -3.313 1.00 . A A . 18 TRP HE3 1 1 20 17575 1 1 18 TRP HH2 H -4.664 -5.465 -3.684 1.00 . A A . 18 TRP HH2 1 1 20 17576 1 1 18 TRP HZ2 H -6.472 -4.446 -2.318 1.00 . A A . 18 TRP HZ2 1 1 20 17577 1 1 18 TRP HZ3 H -2.623 -4.266 -4.143 1.00 . A A . 18 TRP HZ3 1 1 20 17578 1 1 18 TRP N N -3.900 1.372 0.403 1.00 . A A . 18 TRP N 1 1 20 17579 1 1 18 TRP NE1 N -6.156 -1.795 -1.379 1.00 . A A . 18 TRP NE1 1 1 20 17580 1 1 18 TRP O O -2.286 3.324 -0.642 1.00 . A A . 18 TRP O 1 1 20 17581 1 1 19 VAL C C 1.087 2.380 -2.799 1.00 . A A . 19 VAL C 1 1 20 17582 1 1 19 VAL CA C 0.354 2.908 -1.594 1.00 . A A . 19 VAL CA 1 1 20 17583 1 1 19 VAL CB C 1.494 3.142 -0.584 1.00 . A A . 19 VAL CB 1 1 20 17584 1 1 19 VAL CG1 C 2.121 4.507 -0.689 1.00 . A A . 19 VAL CG1 1 1 20 17585 1 1 19 VAL CG2 C 1.206 2.715 0.801 1.00 . A A . 19 VAL CG2 1 1 20 17586 1 1 19 VAL H H -0.214 0.980 -1.307 1.00 . A A . 19 VAL H 1 1 20 17587 1 1 19 VAL HA H -0.146 3.839 -1.817 1.00 . A A . 19 VAL HA 1 1 20 17588 1 1 19 VAL HB H 2.274 2.504 -0.963 1.00 . A A . 19 VAL HB 1 1 20 17589 1 1 19 VAL HG11 H 2.893 4.614 0.057 1.00 . A A . 19 VAL HG11 1 1 20 17590 1 1 19 VAL HG12 H 1.364 5.260 -0.529 1.00 . A A . 19 VAL HG12 1 1 20 17591 1 1 19 VAL HG13 H 2.553 4.637 -1.672 1.00 . A A . 19 VAL HG13 1 1 20 17592 1 1 19 VAL HG21 H 2.045 2.985 1.421 1.00 . A A . 19 VAL HG21 1 1 20 17593 1 1 19 VAL HG22 H 1.113 1.637 0.759 1.00 . A A . 19 VAL HG22 1 1 20 17594 1 1 19 VAL HG23 H 0.301 3.203 1.127 1.00 . A A . 19 VAL HG23 1 1 20 17595 1 1 19 VAL N N -0.605 1.873 -1.189 1.00 . A A . 19 VAL N 1 1 20 17596 1 1 19 VAL O O 1.368 1.188 -2.861 1.00 . A A . 19 VAL O 1 1 20 17597 1 1 20 GLN C C 3.520 3.580 -4.639 1.00 . A A . 20 GLN C 1 1 20 17598 1 1 20 GLN CA C 2.219 2.853 -4.837 1.00 . A A . 20 GLN CA 1 1 20 17599 1 1 20 GLN CB C 1.624 3.279 -6.161 1.00 . A A . 20 GLN CB 1 1 20 17600 1 1 20 GLN CD C 1.267 2.643 -8.610 1.00 . A A . 20 GLN CD 1 1 20 17601 1 1 20 GLN CG C 1.791 2.227 -7.249 1.00 . A A . 20 GLN CG 1 1 20 17602 1 1 20 GLN H H 0.919 4.099 -3.662 1.00 . A A . 20 GLN H 1 1 20 17603 1 1 20 GLN HA H 2.383 1.784 -4.823 1.00 . A A . 20 GLN HA 1 1 20 17604 1 1 20 GLN HB2 H 0.585 3.516 -5.991 1.00 . A A . 20 GLN HB2 1 1 20 17605 1 1 20 GLN HB3 H 2.137 4.177 -6.475 1.00 . A A . 20 GLN HB3 1 1 20 17606 1 1 20 GLN HE21 H 2.463 1.337 -9.465 1.00 . A A . 20 GLN HE21 1 1 20 17607 1 1 20 GLN HE22 H 1.445 2.237 -10.529 1.00 . A A . 20 GLN HE22 1 1 20 17608 1 1 20 GLN HG2 H 2.842 2.002 -7.356 1.00 . A A . 20 GLN HG2 1 1 20 17609 1 1 20 GLN HG3 H 1.270 1.334 -6.934 1.00 . A A . 20 GLN HG3 1 1 20 17610 1 1 20 GLN N N 1.365 3.224 -3.737 1.00 . A A . 20 GLN N 1 1 20 17611 1 1 20 GLN NE2 N 1.775 2.022 -9.637 1.00 . A A . 20 GLN NE2 1 1 20 17612 1 1 20 GLN O O 3.511 4.765 -4.285 1.00 . A A . 20 GLN O 1 1 20 17613 1 1 20 GLN OE1 O 0.359 3.469 -8.729 1.00 . A A . 20 GLN OE1 1 1 20 17614 1 1 21 CYS C C 6.275 4.431 -5.873 1.00 . A A . 21 CYS C 1 1 20 17615 1 1 21 CYS CA C 5.911 3.537 -4.680 1.00 . A A . 21 CYS CA 1 1 20 17616 1 1 21 CYS CB C 6.968 2.489 -4.412 1.00 . A A . 21 CYS CB 1 1 20 17617 1 1 21 CYS H H 4.634 1.960 -5.081 1.00 . A A . 21 CYS H 1 1 20 17618 1 1 21 CYS HA H 5.852 4.181 -3.814 1.00 . A A . 21 CYS HA 1 1 20 17619 1 1 21 CYS HB2 H 7.912 2.867 -4.770 1.00 . A A . 21 CYS HB2 1 1 20 17620 1 1 21 CYS HB3 H 7.004 2.198 -3.374 1.00 . A A . 21 CYS HB3 1 1 20 17621 1 1 21 CYS N N 4.616 2.908 -4.823 1.00 . A A . 21 CYS N 1 1 20 17622 1 1 21 CYS O O 6.029 4.085 -7.026 1.00 . A A . 21 CYS O 1 1 20 17623 1 1 21 CYS SG S 6.805 1.023 -5.396 1.00 . A A . 21 CYS SG 1 1 20 17624 1 1 22 ASP C C 8.612 6.377 -7.166 1.00 . A A . 22 ASP C 1 1 20 17625 1 1 22 ASP CA C 7.240 6.612 -6.566 1.00 . A A . 22 ASP CA 1 1 20 17626 1 1 22 ASP CB C 7.227 7.994 -5.911 1.00 . A A . 22 ASP CB 1 1 20 17627 1 1 22 ASP CG C 5.886 8.385 -5.364 1.00 . A A . 22 ASP CG 1 1 20 17628 1 1 22 ASP H H 7.156 5.734 -4.633 1.00 . A A . 22 ASP H 1 1 20 17629 1 1 22 ASP HA H 6.497 6.597 -7.352 1.00 . A A . 22 ASP HA 1 1 20 17630 1 1 22 ASP HB2 H 7.937 8.000 -5.096 1.00 . A A . 22 ASP HB2 1 1 20 17631 1 1 22 ASP HB3 H 7.529 8.720 -6.651 1.00 . A A . 22 ASP HB3 1 1 20 17632 1 1 22 ASP N N 6.899 5.568 -5.570 1.00 . A A . 22 ASP N 1 1 20 17633 1 1 22 ASP O O 9.272 7.306 -7.622 1.00 . A A . 22 ASP O 1 1 20 17634 1 1 22 ASP OD1 O 5.067 8.987 -6.114 1.00 . A A . 22 ASP OD1 1 1 20 17635 1 1 22 ASP OD2 O 5.637 8.116 -4.184 1.00 . A A . 22 ASP OD2 1 1 20 17636 1 1 23 GLY C C 10.035 4.275 -9.172 1.00 . A A . 23 GLY C 1 1 20 17637 1 1 23 GLY CA C 10.279 4.806 -7.794 1.00 . A A . 23 GLY CA 1 1 20 17638 1 1 23 GLY H H 8.453 4.409 -6.888 1.00 . A A . 23 GLY H 1 1 20 17639 1 1 23 GLY HA2 H 10.892 5.693 -7.837 1.00 . A A . 23 GLY HA2 1 1 20 17640 1 1 23 GLY HA3 H 10.759 4.048 -7.194 1.00 . A A . 23 GLY HA3 1 1 20 17641 1 1 23 GLY N N 9.023 5.136 -7.202 1.00 . A A . 23 GLY N 1 1 20 17642 1 1 23 GLY O O 9.100 4.715 -9.826 1.00 . A A . 23 GLY O 1 1 20 17643 1 1 24 GLY C C 9.990 1.408 -10.942 1.00 . A A . 24 GLY C 1 1 20 17644 1 1 24 GLY CA C 10.585 2.796 -10.949 1.00 . A A . 24 GLY CA 1 1 20 17645 1 1 24 GLY H H 11.605 2.922 -9.211 1.00 . A A . 24 GLY H 1 1 20 17646 1 1 24 GLY HA2 H 9.903 3.446 -11.478 1.00 . A A . 24 GLY HA2 1 1 20 17647 1 1 24 GLY HA3 H 11.524 2.768 -11.481 1.00 . A A . 24 GLY HA3 1 1 20 17648 1 1 24 GLY N N 10.821 3.327 -9.627 1.00 . A A . 24 GLY N 1 1 20 17649 1 1 24 GLY O O 9.831 0.798 -12.002 1.00 . A A . 24 GLY O 1 1 20 17650 1 1 25 CYS C C 7.531 -0.368 -9.650 1.00 . A A . 25 CYS C 1 1 20 17651 1 1 25 CYS CA C 9.065 -0.472 -9.743 1.00 . A A . 25 CYS CA 1 1 20 17652 1 1 25 CYS CB C 9.669 -1.395 -8.654 1.00 . A A . 25 CYS CB 1 1 20 17653 1 1 25 CYS H H 9.889 1.363 -8.931 1.00 . A A . 25 CYS H 1 1 20 17654 1 1 25 CYS HA H 9.270 -0.889 -10.720 1.00 . A A . 25 CYS HA 1 1 20 17655 1 1 25 CYS HB2 H 9.860 -2.363 -9.089 1.00 . A A . 25 CYS HB2 1 1 20 17656 1 1 25 CYS HB3 H 10.612 -0.968 -8.346 1.00 . A A . 25 CYS HB3 1 1 20 17657 1 1 25 CYS N N 9.679 0.866 -9.757 1.00 . A A . 25 CYS N 1 1 20 17658 1 1 25 CYS O O 6.817 -1.311 -9.984 1.00 . A A . 25 CYS O 1 1 20 17659 1 1 25 CYS SG S 8.672 -1.663 -7.169 1.00 . A A . 25 CYS SG 1 1 20 17660 1 1 26 ASP C C 4.685 0.091 -8.554 1.00 . A A . 26 ASP C 1 1 20 17661 1 1 26 ASP CA C 5.595 1.189 -9.146 1.00 . A A . 26 ASP CA 1 1 20 17662 1 1 26 ASP CB C 5.078 1.531 -10.555 1.00 . A A . 26 ASP CB 1 1 20 17663 1 1 26 ASP CG C 5.788 2.692 -11.204 1.00 . A A . 26 ASP CG 1 1 20 17664 1 1 26 ASP H H 7.696 1.537 -9.053 1.00 . A A . 26 ASP H 1 1 20 17665 1 1 26 ASP HA H 5.512 2.083 -8.545 1.00 . A A . 26 ASP HA 1 1 20 17666 1 1 26 ASP HB2 H 5.208 0.663 -11.186 1.00 . A A . 26 ASP HB2 1 1 20 17667 1 1 26 ASP HB3 H 4.023 1.758 -10.494 1.00 . A A . 26 ASP HB3 1 1 20 17668 1 1 26 ASP N N 7.053 0.825 -9.228 1.00 . A A . 26 ASP N 1 1 20 17669 1 1 26 ASP O O 3.567 -0.118 -9.050 1.00 . A A . 26 ASP O 1 1 20 17670 1 1 26 ASP OD1 O 6.850 2.473 -11.827 1.00 . A A . 26 ASP OD1 1 1 20 17671 1 1 26 ASP OD2 O 5.281 3.820 -11.129 1.00 . A A . 26 ASP OD2 1 1 20 17672 1 1 27 GLU C C 3.271 -1.078 -5.927 1.00 . A A . 27 GLU C 1 1 20 17673 1 1 27 GLU CA C 4.266 -1.612 -6.934 1.00 . A A . 27 GLU CA 1 1 20 17674 1 1 27 GLU CB C 5.094 -2.737 -6.310 1.00 . A A . 27 GLU CB 1 1 20 17675 1 1 27 GLU CD C 6.745 -4.622 -6.640 1.00 . A A . 27 GLU CD 1 1 20 17676 1 1 27 GLU CG C 5.978 -3.487 -7.286 1.00 . A A . 27 GLU CG 1 1 20 17677 1 1 27 GLU H H 5.913 -0.284 -7.023 1.00 . A A . 27 GLU H 1 1 20 17678 1 1 27 GLU HA H 3.694 -2.018 -7.755 1.00 . A A . 27 GLU HA 1 1 20 17679 1 1 27 GLU HB2 H 5.705 -2.332 -5.517 1.00 . A A . 27 GLU HB2 1 1 20 17680 1 1 27 GLU HB3 H 4.402 -3.436 -5.872 1.00 . A A . 27 GLU HB3 1 1 20 17681 1 1 27 GLU HG2 H 5.357 -3.900 -8.067 1.00 . A A . 27 GLU HG2 1 1 20 17682 1 1 27 GLU HG3 H 6.684 -2.797 -7.724 1.00 . A A . 27 GLU HG3 1 1 20 17683 1 1 27 GLU N N 5.090 -0.550 -7.484 1.00 . A A . 27 GLU N 1 1 20 17684 1 1 27 GLU O O 3.541 -0.082 -5.231 1.00 . A A . 27 GLU O 1 1 20 17685 1 1 27 GLU OE1 O 7.685 -4.364 -5.872 1.00 . A A . 27 GLU OE1 1 1 20 17686 1 1 27 GLU OE2 O 6.442 -5.795 -6.930 1.00 . A A . 27 GLU OE2 1 1 20 17687 1 1 28 TRP C C 1.259 -2.231 -3.664 1.00 . A A . 28 TRP C 1 1 20 17688 1 1 28 TRP CA C 1.086 -1.391 -4.907 1.00 . A A . 28 TRP CA 1 1 20 17689 1 1 28 TRP CB C -0.316 -1.639 -5.449 1.00 . A A . 28 TRP CB 1 1 20 17690 1 1 28 TRP CD1 C -0.975 -0.819 -7.775 1.00 . A A . 28 TRP CD1 1 1 20 17691 1 1 28 TRP CD2 C -1.268 0.671 -6.142 1.00 . A A . 28 TRP CD2 1 1 20 17692 1 1 28 TRP CE2 C -1.676 1.245 -7.353 1.00 . A A . 28 TRP CE2 1 1 20 17693 1 1 28 TRP CE3 C -1.354 1.433 -4.975 1.00 . A A . 28 TRP CE3 1 1 20 17694 1 1 28 TRP CG C -0.819 -0.652 -6.432 1.00 . A A . 28 TRP CG 1 1 20 17695 1 1 28 TRP CH2 C -2.256 3.248 -6.293 1.00 . A A . 28 TRP CH2 1 1 20 17696 1 1 28 TRP CZ2 C -2.180 2.524 -7.435 1.00 . A A . 28 TRP CZ2 1 1 20 17697 1 1 28 TRP CZ3 C -1.849 2.721 -5.065 1.00 . A A . 28 TRP CZ3 1 1 20 17698 1 1 28 TRP H H 1.914 -2.438 -6.502 1.00 . A A . 28 TRP H 1 1 20 17699 1 1 28 TRP HA H 1.177 -0.349 -4.648 1.00 . A A . 28 TRP HA 1 1 20 17700 1 1 28 TRP HB2 H -0.336 -2.607 -5.923 1.00 . A A . 28 TRP HB2 1 1 20 17701 1 1 28 TRP HB3 H -1.004 -1.650 -4.621 1.00 . A A . 28 TRP HB3 1 1 20 17702 1 1 28 TRP HD1 H -0.741 -1.709 -8.333 1.00 . A A . 28 TRP HD1 1 1 20 17703 1 1 28 TRP HE1 H -1.702 0.418 -9.281 1.00 . A A . 28 TRP HE1 1 1 20 17704 1 1 28 TRP HE3 H -1.045 1.039 -4.017 1.00 . A A . 28 TRP HE3 1 1 20 17705 1 1 28 TRP HH2 H -2.637 4.255 -6.319 1.00 . A A . 28 TRP HH2 1 1 20 17706 1 1 28 TRP HZ2 H -2.495 2.942 -8.376 1.00 . A A . 28 TRP HZ2 1 1 20 17707 1 1 28 TRP HZ3 H -1.932 3.329 -4.173 1.00 . A A . 28 TRP HZ3 1 1 20 17708 1 1 28 TRP N N 2.114 -1.711 -5.879 1.00 . A A . 28 TRP N 1 1 20 17709 1 1 28 TRP NE1 N -1.502 0.309 -8.326 1.00 . A A . 28 TRP NE1 1 1 20 17710 1 1 28 TRP O O 1.374 -3.457 -3.749 1.00 . A A . 28 TRP O 1 1 20 17711 1 1 29 PHE C C 0.295 -1.847 -0.359 1.00 . A A . 29 PHE C 1 1 20 17712 1 1 29 PHE CA C 1.414 -2.271 -1.267 1.00 . A A . 29 PHE CA 1 1 20 17713 1 1 29 PHE CB C 2.684 -1.871 -0.551 1.00 . A A . 29 PHE CB 1 1 20 17714 1 1 29 PHE CD1 C 4.536 -2.697 -2.002 1.00 . A A . 29 PHE CD1 1 1 20 17715 1 1 29 PHE CD2 C 4.277 -0.363 -1.621 1.00 . A A . 29 PHE CD2 1 1 20 17716 1 1 29 PHE CE1 C 5.622 -2.452 -2.798 1.00 . A A . 29 PHE CE1 1 1 20 17717 1 1 29 PHE CE2 C 5.352 -0.114 -2.407 1.00 . A A . 29 PHE CE2 1 1 20 17718 1 1 29 PHE CG C 3.852 -1.647 -1.410 1.00 . A A . 29 PHE CG 1 1 20 17719 1 1 29 PHE CZ C 6.035 -1.157 -3.001 1.00 . A A . 29 PHE CZ 1 1 20 17720 1 1 29 PHE H H 1.259 -0.600 -2.571 1.00 . A A . 29 PHE H 1 1 20 17721 1 1 29 PHE HA H 1.416 -3.338 -1.417 1.00 . A A . 29 PHE HA 1 1 20 17722 1 1 29 PHE HB2 H 2.502 -0.954 -0.008 1.00 . A A . 29 PHE HB2 1 1 20 17723 1 1 29 PHE HB3 H 2.938 -2.642 0.164 1.00 . A A . 29 PHE HB3 1 1 20 17724 1 1 29 PHE HD1 H 4.214 -3.718 -1.852 1.00 . A A . 29 PHE HD1 1 1 20 17725 1 1 29 PHE HD2 H 3.739 0.458 -1.154 1.00 . A A . 29 PHE HD2 1 1 20 17726 1 1 29 PHE HE1 H 6.145 -3.281 -3.251 1.00 . A A . 29 PHE HE1 1 1 20 17727 1 1 29 PHE HE2 H 5.661 0.906 -2.550 1.00 . A A . 29 PHE HE2 1 1 20 17728 1 1 29 PHE HZ H 6.890 -0.934 -3.625 1.00 . A A . 29 PHE HZ 1 1 20 17729 1 1 29 PHE N N 1.281 -1.585 -2.530 1.00 . A A . 29 PHE N 1 1 20 17730 1 1 29 PHE O O -0.456 -0.943 -0.677 1.00 . A A . 29 PHE O 1 1 20 17731 1 1 30 HIS C C 0.163 -1.234 2.705 1.00 . A A . 30 HIS C 1 1 20 17732 1 1 30 HIS CA C -0.707 -2.032 1.785 1.00 . A A . 30 HIS CA 1 1 20 17733 1 1 30 HIS CB C -1.342 -3.164 2.572 1.00 . A A . 30 HIS CB 1 1 20 17734 1 1 30 HIS CD2 C -3.509 -4.178 1.587 1.00 . A A . 30 HIS CD2 1 1 20 17735 1 1 30 HIS CE1 C -2.634 -6.029 0.798 1.00 . A A . 30 HIS CE1 1 1 20 17736 1 1 30 HIS CG C -2.171 -4.124 1.797 1.00 . A A . 30 HIS CG 1 1 20 17737 1 1 30 HIS H H 0.825 -3.237 0.910 1.00 . A A . 30 HIS H 1 1 20 17738 1 1 30 HIS HA H -1.454 -1.396 1.332 1.00 . A A . 30 HIS HA 1 1 20 17739 1 1 30 HIS HB2 H -0.562 -3.737 3.047 1.00 . A A . 30 HIS HB2 1 1 20 17740 1 1 30 HIS HB3 H -1.964 -2.739 3.344 1.00 . A A . 30 HIS HB3 1 1 20 17741 1 1 30 HIS HD2 H -4.234 -3.424 1.857 1.00 . A A . 30 HIS HD2 1 1 20 17742 1 1 30 HIS HE1 H -2.541 -7.055 0.457 1.00 . A A . 30 HIS HE1 1 1 20 17743 1 1 30 HIS HE2 H -4.565 -5.560 0.411 1.00 . A A . 30 HIS HE2 1 1 20 17744 1 1 30 HIS N N 0.190 -2.496 0.770 1.00 . A A . 30 HIS N 1 1 20 17745 1 1 30 HIS ND1 N -1.663 -5.281 1.277 1.00 . A A . 30 HIS ND1 1 1 20 17746 1 1 30 HIS NE2 N -3.773 -5.377 0.963 1.00 . A A . 30 HIS NE2 1 1 20 17747 1 1 30 HIS O O 1.328 -1.578 2.868 1.00 . A A . 30 HIS O 1 1 20 17748 1 1 31 GLN C C 1.089 -0.107 5.303 1.00 . A A . 31 GLN C 1 1 20 17749 1 1 31 GLN CA C 0.479 0.661 4.119 1.00 . A A . 31 GLN CA 1 1 20 17750 1 1 31 GLN CB C -0.283 1.913 4.562 1.00 . A A . 31 GLN CB 1 1 20 17751 1 1 31 GLN CD C -1.071 4.068 3.445 1.00 . A A . 31 GLN CD 1 1 20 17752 1 1 31 GLN CG C -1.012 2.555 3.394 1.00 . A A . 31 GLN CG 1 1 20 17753 1 1 31 GLN H H -1.299 0.003 3.147 1.00 . A A . 31 GLN H 1 1 20 17754 1 1 31 GLN HA H 1.292 0.956 3.471 1.00 . A A . 31 GLN HA 1 1 20 17755 1 1 31 GLN HB2 H -1.001 1.640 5.324 1.00 . A A . 31 GLN HB2 1 1 20 17756 1 1 31 GLN HB3 H 0.417 2.630 4.967 1.00 . A A . 31 GLN HB3 1 1 20 17757 1 1 31 GLN HE21 H -1.132 4.117 1.462 1.00 . A A . 31 GLN HE21 1 1 20 17758 1 1 31 GLN HE22 H -1.128 5.648 2.233 1.00 . A A . 31 GLN HE22 1 1 20 17759 1 1 31 GLN HG2 H -0.481 2.234 2.512 1.00 . A A . 31 GLN HG2 1 1 20 17760 1 1 31 GLN HG3 H -2.015 2.156 3.341 1.00 . A A . 31 GLN HG3 1 1 20 17761 1 1 31 GLN N N -0.353 -0.198 3.297 1.00 . A A . 31 GLN N 1 1 20 17762 1 1 31 GLN NE2 N -1.122 4.673 2.269 1.00 . A A . 31 GLN NE2 1 1 20 17763 1 1 31 GLN O O 2.258 0.055 5.619 1.00 . A A . 31 GLN O 1 1 20 17764 1 1 31 GLN OE1 O -1.075 4.679 4.501 1.00 . A A . 31 GLN OE1 1 1 20 17765 1 1 32 VAL C C 1.814 -2.850 6.698 1.00 . A A . 32 VAL C 1 1 20 17766 1 1 32 VAL CA C 0.756 -1.769 7.045 1.00 . A A . 32 VAL CA 1 1 20 17767 1 1 32 VAL CB C -0.438 -2.439 7.773 1.00 . A A . 32 VAL CB 1 1 20 17768 1 1 32 VAL CG1 C -1.424 -1.382 8.264 1.00 . A A . 32 VAL CG1 1 1 20 17769 1 1 32 VAL CG2 C -1.136 -3.442 6.854 1.00 . A A . 32 VAL CG2 1 1 20 17770 1 1 32 VAL H H -0.586 -1.185 5.556 1.00 . A A . 32 VAL H 1 1 20 17771 1 1 32 VAL HA H 1.210 -1.066 7.729 1.00 . A A . 32 VAL HA 1 1 20 17772 1 1 32 VAL HB H -0.048 -2.970 8.628 1.00 . A A . 32 VAL HB 1 1 20 17773 1 1 32 VAL HG11 H -0.925 -0.720 8.956 1.00 . A A . 32 VAL HG11 1 1 20 17774 1 1 32 VAL HG12 H -2.262 -1.859 8.749 1.00 . A A . 32 VAL HG12 1 1 20 17775 1 1 32 VAL HG13 H -1.777 -0.809 7.419 1.00 . A A . 32 VAL HG13 1 1 20 17776 1 1 32 VAL HG21 H -1.496 -2.920 5.979 1.00 . A A . 32 VAL HG21 1 1 20 17777 1 1 32 VAL HG22 H -1.961 -3.906 7.376 1.00 . A A . 32 VAL HG22 1 1 20 17778 1 1 32 VAL HG23 H -0.411 -4.182 6.544 1.00 . A A . 32 VAL HG23 1 1 20 17779 1 1 32 VAL N N 0.313 -0.993 5.888 1.00 . A A . 32 VAL N 1 1 20 17780 1 1 32 VAL O O 2.651 -3.180 7.531 1.00 . A A . 32 VAL O 1 1 20 17781 1 1 33 CYS C C 4.030 -4.051 4.659 1.00 . A A . 33 CYS C 1 1 20 17782 1 1 33 CYS CA C 2.639 -4.516 5.124 1.00 . A A . 33 CYS CA 1 1 20 17783 1 1 33 CYS CB C 1.968 -5.431 4.067 1.00 . A A . 33 CYS CB 1 1 20 17784 1 1 33 CYS H H 1.228 -3.017 4.754 1.00 . A A . 33 CYS H 1 1 20 17785 1 1 33 CYS HA H 2.770 -5.086 6.033 1.00 . A A . 33 CYS HA 1 1 20 17786 1 1 33 CYS HB2 H 2.629 -6.221 3.751 1.00 . A A . 33 CYS HB2 1 1 20 17787 1 1 33 CYS HB3 H 1.037 -5.846 4.413 1.00 . A A . 33 CYS HB3 1 1 20 17788 1 1 33 CYS N N 1.773 -3.390 5.476 1.00 . A A . 33 CYS N 1 1 20 17789 1 1 33 CYS O O 4.981 -4.813 4.709 1.00 . A A . 33 CYS O 1 1 20 17790 1 1 33 CYS SG S 1.551 -4.570 2.612 1.00 . A A . 33 CYS SG 1 1 20 17791 1 1 34 VAL C C 5.914 -1.168 4.685 1.00 . A A . 34 VAL C 1 1 20 17792 1 1 34 VAL CA C 5.387 -2.302 3.735 1.00 . A A . 34 VAL CA 1 1 20 17793 1 1 34 VAL CB C 5.274 -1.821 2.257 1.00 . A A . 34 VAL CB 1 1 20 17794 1 1 34 VAL CG1 C 4.526 -0.514 2.075 1.00 . A A . 34 VAL CG1 1 1 20 17795 1 1 34 VAL CG2 C 6.600 -1.797 1.640 1.00 . A A . 34 VAL CG2 1 1 20 17796 1 1 34 VAL H H 3.412 -2.160 4.129 1.00 . A A . 34 VAL H 1 1 20 17797 1 1 34 VAL HA H 6.082 -3.129 3.775 1.00 . A A . 34 VAL HA 1 1 20 17798 1 1 34 VAL HB H 4.683 -2.544 1.711 1.00 . A A . 34 VAL HB 1 1 20 17799 1 1 34 VAL HG11 H 3.483 -0.607 2.348 1.00 . A A . 34 VAL HG11 1 1 20 17800 1 1 34 VAL HG12 H 4.628 -0.207 1.041 1.00 . A A . 34 VAL HG12 1 1 20 17801 1 1 34 VAL HG13 H 4.997 0.241 2.686 1.00 . A A . 34 VAL HG13 1 1 20 17802 1 1 34 VAL HG21 H 6.525 -1.424 0.634 1.00 . A A . 34 VAL HG21 1 1 20 17803 1 1 34 VAL HG22 H 6.938 -2.821 1.681 1.00 . A A . 34 VAL HG22 1 1 20 17804 1 1 34 VAL HG23 H 7.177 -1.163 2.294 1.00 . A A . 34 VAL HG23 1 1 20 17805 1 1 34 VAL N N 4.142 -2.798 4.196 1.00 . A A . 34 VAL N 1 1 20 17806 1 1 34 VAL O O 6.797 -0.384 4.339 1.00 . A A . 34 VAL O 1 1 20 17807 1 1 35 GLY C C 5.580 1.291 6.576 1.00 . A A . 35 GLY C 1 1 20 17808 1 1 35 GLY CA C 5.800 -0.186 6.934 1.00 . A A . 35 GLY CA 1 1 20 17809 1 1 35 GLY H H 4.771 -1.885 6.151 1.00 . A A . 35 GLY H 1 1 20 17810 1 1 35 GLY HA2 H 5.254 -0.390 7.843 1.00 . A A . 35 GLY HA2 1 1 20 17811 1 1 35 GLY HA3 H 6.851 -0.347 7.131 1.00 . A A . 35 GLY HA3 1 1 20 17812 1 1 35 GLY N N 5.389 -1.162 5.912 1.00 . A A . 35 GLY N 1 1 20 17813 1 1 35 GLY O O 6.439 2.132 6.841 1.00 . A A . 35 GLY O 1 1 20 17814 1 1 36 VAL C C 3.210 3.532 6.768 1.00 . A A . 36 VAL C 1 1 20 17815 1 1 36 VAL CA C 4.083 2.963 5.670 1.00 . A A . 36 VAL CA 1 1 20 17816 1 1 36 VAL CB C 3.287 3.009 4.312 1.00 . A A . 36 VAL CB 1 1 20 17817 1 1 36 VAL CG1 C 2.720 4.356 4.043 1.00 . A A . 36 VAL CG1 1 1 20 17818 1 1 36 VAL CG2 C 4.164 2.740 3.184 1.00 . A A . 36 VAL CG2 1 1 20 17819 1 1 36 VAL H H 3.801 0.893 5.787 1.00 . A A . 36 VAL H 1 1 20 17820 1 1 36 VAL HA H 4.984 3.549 5.564 1.00 . A A . 36 VAL HA 1 1 20 17821 1 1 36 VAL HB H 2.500 2.271 4.309 1.00 . A A . 36 VAL HB 1 1 20 17822 1 1 36 VAL HG11 H 2.272 4.317 3.059 1.00 . A A . 36 VAL HG11 1 1 20 17823 1 1 36 VAL HG12 H 3.553 5.045 3.997 1.00 . A A . 36 VAL HG12 1 1 20 17824 1 1 36 VAL HG13 H 1.993 4.645 4.785 1.00 . A A . 36 VAL HG13 1 1 20 17825 1 1 36 VAL HG21 H 4.435 3.749 2.882 1.00 . A A . 36 VAL HG21 1 1 20 17826 1 1 36 VAL HG22 H 3.569 2.338 2.377 1.00 . A A . 36 VAL HG22 1 1 20 17827 1 1 36 VAL HG23 H 5.021 2.138 3.441 1.00 . A A . 36 VAL HG23 1 1 20 17828 1 1 36 VAL N N 4.451 1.597 6.004 1.00 . A A . 36 VAL N 1 1 20 17829 1 1 36 VAL O O 2.404 2.814 7.363 1.00 . A A . 36 VAL O 1 1 20 17830 1 1 37 SER C C 1.752 6.454 7.051 1.00 . A A . 37 SER C 1 1 20 17831 1 1 37 SER CA C 2.526 5.479 7.944 1.00 . A A . 37 SER CA 1 1 20 17832 1 1 37 SER CB C 3.373 6.234 8.976 1.00 . A A . 37 SER CB 1 1 20 17833 1 1 37 SER H H 4.011 5.466 6.727 1.00 . A A . 37 SER H 1 1 20 17834 1 1 37 SER HA H 1.870 4.770 8.424 1.00 . A A . 37 SER HA 1 1 20 17835 1 1 37 SER HB2 H 3.965 6.976 8.461 1.00 . A A . 37 SER HB2 1 1 20 17836 1 1 37 SER HB3 H 2.743 6.731 9.698 1.00 . A A . 37 SER HB3 1 1 20 17837 1 1 37 SER HG H 4.599 5.833 10.419 1.00 . A A . 37 SER HG 1 1 20 17838 1 1 37 SER N N 3.381 4.792 7.056 1.00 . A A . 37 SER N 1 1 20 17839 1 1 37 SER O O 2.361 7.045 6.125 1.00 . A A . 37 SER O 1 1 20 17840 1 1 37 SER OG O 4.248 5.348 9.661 1.00 . A A . 37 SER OG 1 1 20 17841 1 1 38 PRO C C 0.161 8.833 6.066 1.00 . A A . 38 PRO C 1 1 20 17842 1 1 38 PRO CA C -0.449 7.466 6.418 1.00 . A A . 38 PRO CA 1 1 20 17843 1 1 38 PRO CB C -1.724 7.648 7.268 1.00 . A A . 38 PRO CB 1 1 20 17844 1 1 38 PRO CD C -0.339 5.986 8.348 1.00 . A A . 38 PRO CD 1 1 20 17845 1 1 38 PRO CG C -1.451 6.964 8.586 1.00 . A A . 38 PRO CG 1 1 20 17846 1 1 38 PRO HA H -0.707 6.961 5.499 1.00 . A A . 38 PRO HA 1 1 20 17847 1 1 38 PRO HB2 H -1.922 8.701 7.406 1.00 . A A . 38 PRO HB2 1 1 20 17848 1 1 38 PRO HB3 H -2.562 7.202 6.755 1.00 . A A . 38 PRO HB3 1 1 20 17849 1 1 38 PRO HD2 H 0.267 5.857 9.235 1.00 . A A . 38 PRO HD2 1 1 20 17850 1 1 38 PRO HD3 H -0.747 5.041 8.024 1.00 . A A . 38 PRO HD3 1 1 20 17851 1 1 38 PRO HG2 H -1.139 7.695 9.317 1.00 . A A . 38 PRO HG2 1 1 20 17852 1 1 38 PRO HG3 H -2.342 6.457 8.928 1.00 . A A . 38 PRO HG3 1 1 20 17853 1 1 38 PRO N N 0.428 6.619 7.268 1.00 . A A . 38 PRO N 1 1 20 17854 1 1 38 PRO O O 0.166 9.242 4.906 1.00 . A A . 38 PRO O 1 1 20 17855 1 1 39 GLU C C 2.453 10.814 5.900 1.00 . A A . 39 GLU C 1 1 20 17856 1 1 39 GLU CA C 1.291 10.820 6.909 1.00 . A A . 39 GLU CA 1 1 20 17857 1 1 39 GLU CB C 1.769 11.321 8.278 1.00 . A A . 39 GLU CB 1 1 20 17858 1 1 39 GLU CD C 2.701 13.164 9.712 1.00 . A A . 39 GLU CD 1 1 20 17859 1 1 39 GLU CG C 2.258 12.755 8.320 1.00 . A A . 39 GLU CG 1 1 20 17860 1 1 39 GLU H H 0.752 9.043 7.941 1.00 . A A . 39 GLU H 1 1 20 17861 1 1 39 GLU HA H 0.501 11.467 6.560 1.00 . A A . 39 GLU HA 1 1 20 17862 1 1 39 GLU HB2 H 0.954 11.236 8.980 1.00 . A A . 39 GLU HB2 1 1 20 17863 1 1 39 GLU HB3 H 2.572 10.679 8.605 1.00 . A A . 39 GLU HB3 1 1 20 17864 1 1 39 GLU HG2 H 3.106 12.829 7.656 1.00 . A A . 39 GLU HG2 1 1 20 17865 1 1 39 GLU HG3 H 1.461 13.406 7.986 1.00 . A A . 39 GLU HG3 1 1 20 17866 1 1 39 GLU N N 0.727 9.489 7.065 1.00 . A A . 39 GLU N 1 1 20 17867 1 1 39 GLU O O 2.559 11.699 5.051 1.00 . A A . 39 GLU O 1 1 20 17868 1 1 39 GLU OE1 O 1.875 13.107 10.646 1.00 . A A . 39 GLU OE1 1 1 20 17869 1 1 39 GLU OE2 O 3.865 13.574 9.877 1.00 . A A . 39 GLU OE2 1 1 20 17870 1 1 40 MET C C 4.153 9.515 3.669 1.00 . A A . 40 MET C 1 1 20 17871 1 1 40 MET CA C 4.468 9.690 5.138 1.00 . A A . 40 MET CA 1 1 20 17872 1 1 40 MET CB C 5.370 8.542 5.611 1.00 . A A . 40 MET CB 1 1 20 17873 1 1 40 MET CE C 8.168 7.198 6.387 1.00 . A A . 40 MET CE 1 1 20 17874 1 1 40 MET CG C 5.877 8.684 7.034 1.00 . A A . 40 MET CG 1 1 20 17875 1 1 40 MET H H 2.929 8.997 6.467 1.00 . A A . 40 MET H 1 1 20 17876 1 1 40 MET HA H 5.004 10.619 5.271 1.00 . A A . 40 MET HA 1 1 20 17877 1 1 40 MET HB2 H 4.827 7.611 5.540 1.00 . A A . 40 MET HB2 1 1 20 17878 1 1 40 MET HB3 H 6.225 8.491 4.953 1.00 . A A . 40 MET HB3 1 1 20 17879 1 1 40 MET HE1 H 7.767 7.024 5.397 1.00 . A A . 40 MET HE1 1 1 20 17880 1 1 40 MET HE2 H 8.842 6.390 6.634 1.00 . A A . 40 MET HE2 1 1 20 17881 1 1 40 MET HE3 H 8.711 8.130 6.409 1.00 . A A . 40 MET HE3 1 1 20 17882 1 1 40 MET HG2 H 6.515 9.553 7.093 1.00 . A A . 40 MET HG2 1 1 20 17883 1 1 40 MET HG3 H 5.029 8.815 7.687 1.00 . A A . 40 MET HG3 1 1 20 17884 1 1 40 MET N N 3.253 9.761 5.941 1.00 . A A . 40 MET N 1 1 20 17885 1 1 40 MET O O 4.631 10.264 2.842 1.00 . A A . 40 MET O 1 1 20 17886 1 1 40 MET SD S 6.821 7.243 7.584 1.00 . A A . 40 MET SD 1 1 20 17887 1 1 41 ALA C C 2.068 9.157 1.295 1.00 . A A . 41 ALA C 1 1 20 17888 1 1 41 ALA CA C 3.003 8.197 1.983 1.00 . A A . 41 ALA CA 1 1 20 17889 1 1 41 ALA CB C 2.393 6.856 1.940 1.00 . A A . 41 ALA CB 1 1 20 17890 1 1 41 ALA H H 2.878 8.023 4.074 1.00 . A A . 41 ALA H 1 1 20 17891 1 1 41 ALA HA H 3.928 8.144 1.430 1.00 . A A . 41 ALA HA 1 1 20 17892 1 1 41 ALA HB1 H 3.044 6.093 2.352 1.00 . A A . 41 ALA HB1 1 1 20 17893 1 1 41 ALA HB2 H 2.102 6.627 0.927 1.00 . A A . 41 ALA HB2 1 1 20 17894 1 1 41 ALA HB3 H 1.518 6.964 2.565 1.00 . A A . 41 ALA HB3 1 1 20 17895 1 1 41 ALA N N 3.309 8.550 3.367 1.00 . A A . 41 ALA N 1 1 20 17896 1 1 41 ALA O O 2.093 9.270 0.088 1.00 . A A . 41 ALA O 1 1 20 17897 1 1 42 GLU C C 0.942 12.069 1.164 1.00 . A A . 42 GLU C 1 1 20 17898 1 1 42 GLU CA C 0.305 10.716 1.362 1.00 . A A . 42 GLU CA 1 1 20 17899 1 1 42 GLU CB C -0.990 10.861 2.138 1.00 . A A . 42 GLU CB 1 1 20 17900 1 1 42 GLU CD C -3.073 9.803 2.995 1.00 . A A . 42 GLU CD 1 1 20 17901 1 1 42 GLU CG C -1.766 9.578 2.303 1.00 . A A . 42 GLU CG 1 1 20 17902 1 1 42 GLU H H 1.174 9.741 2.999 1.00 . A A . 42 GLU H 1 1 20 17903 1 1 42 GLU HA H 0.079 10.298 0.393 1.00 . A A . 42 GLU HA 1 1 20 17904 1 1 42 GLU HB2 H -0.746 11.216 3.129 1.00 . A A . 42 GLU HB2 1 1 20 17905 1 1 42 GLU HB3 H -1.616 11.585 1.639 1.00 . A A . 42 GLU HB3 1 1 20 17906 1 1 42 GLU HG2 H -1.973 9.169 1.324 1.00 . A A . 42 GLU HG2 1 1 20 17907 1 1 42 GLU HG3 H -1.178 8.884 2.886 1.00 . A A . 42 GLU HG3 1 1 20 17908 1 1 42 GLU N N 1.219 9.814 2.021 1.00 . A A . 42 GLU N 1 1 20 17909 1 1 42 GLU O O 0.606 12.802 0.232 1.00 . A A . 42 GLU O 1 1 20 17910 1 1 42 GLU OE1 O -3.075 10.095 4.201 1.00 . A A . 42 GLU OE1 1 1 20 17911 1 1 42 GLU OE2 O -4.122 9.698 2.338 1.00 . A A . 42 GLU OE2 1 1 20 17912 1 1 43 ASN C C 3.713 13.781 1.076 1.00 . A A . 43 ASN C 1 1 20 17913 1 1 43 ASN CA C 2.483 13.737 1.975 1.00 . A A . 43 ASN CA 1 1 20 17914 1 1 43 ASN CB C 2.850 14.269 3.368 1.00 . A A . 43 ASN CB 1 1 20 17915 1 1 43 ASN CG C 3.261 15.742 3.343 1.00 . A A . 43 ASN CG 1 1 20 17916 1 1 43 ASN H H 2.021 11.691 2.715 1.00 . A A . 43 ASN H 1 1 20 17917 1 1 43 ASN HA H 1.734 14.391 1.555 1.00 . A A . 43 ASN HA 1 1 20 17918 1 1 43 ASN HB2 H 2.012 14.146 4.036 1.00 . A A . 43 ASN HB2 1 1 20 17919 1 1 43 ASN HB3 H 3.686 13.688 3.725 1.00 . A A . 43 ASN HB3 1 1 20 17920 1 1 43 ASN HD21 H 4.535 15.452 4.831 1.00 . A A . 43 ASN HD21 1 1 20 17921 1 1 43 ASN HD22 H 4.435 17.058 4.203 1.00 . A A . 43 ASN HD22 1 1 20 17922 1 1 43 ASN N N 1.867 12.398 2.040 1.00 . A A . 43 ASN N 1 1 20 17923 1 1 43 ASN ND2 N 4.163 16.117 4.215 1.00 . A A . 43 ASN ND2 1 1 20 17924 1 1 43 ASN O O 3.941 14.773 0.360 1.00 . A A . 43 ASN O 1 1 20 17925 1 1 43 ASN OD1 O 2.761 16.532 2.537 1.00 . A A . 43 ASN OD1 1 1 20 17926 1 1 44 GLU C C 5.902 11.409 -0.428 1.00 . A A . 44 GLU C 1 1 20 17927 1 1 44 GLU CA C 5.749 12.681 0.376 1.00 . A A . 44 GLU CA 1 1 20 17928 1 1 44 GLU CB C 6.907 12.856 1.354 1.00 . A A . 44 GLU CB 1 1 20 17929 1 1 44 GLU CD C 7.964 14.362 3.086 1.00 . A A . 44 GLU CD 1 1 20 17930 1 1 44 GLU CG C 6.918 14.219 2.023 1.00 . A A . 44 GLU CG 1 1 20 17931 1 1 44 GLU H H 4.181 11.910 1.557 1.00 . A A . 44 GLU H 1 1 20 17932 1 1 44 GLU HA H 5.748 13.521 -0.298 1.00 . A A . 44 GLU HA 1 1 20 17933 1 1 44 GLU HB2 H 6.818 12.096 2.117 1.00 . A A . 44 GLU HB2 1 1 20 17934 1 1 44 GLU HB3 H 7.836 12.730 0.817 1.00 . A A . 44 GLU HB3 1 1 20 17935 1 1 44 GLU HG2 H 7.085 14.972 1.266 1.00 . A A . 44 GLU HG2 1 1 20 17936 1 1 44 GLU HG3 H 5.945 14.382 2.460 1.00 . A A . 44 GLU HG3 1 1 20 17937 1 1 44 GLU N N 4.487 12.718 1.091 1.00 . A A . 44 GLU N 1 1 20 17938 1 1 44 GLU O O 5.211 10.428 -0.171 1.00 . A A . 44 GLU O 1 1 20 17939 1 1 44 GLU OE1 O 9.158 14.393 2.759 1.00 . A A . 44 GLU OE1 1 1 20 17940 1 1 44 GLU OE2 O 7.599 14.458 4.285 1.00 . A A . 44 GLU OE2 1 1 20 17941 1 1 45 ASP C C 7.486 9.109 -1.480 1.00 . A A . 45 ASP C 1 1 20 17942 1 1 45 ASP CA C 7.087 10.309 -2.286 1.00 . A A . 45 ASP CA 1 1 20 17943 1 1 45 ASP CB C 8.251 10.627 -3.238 1.00 . A A . 45 ASP CB 1 1 20 17944 1 1 45 ASP CG C 8.002 11.777 -4.176 1.00 . A A . 45 ASP CG 1 1 20 17945 1 1 45 ASP H H 7.324 12.260 -1.593 1.00 . A A . 45 ASP H 1 1 20 17946 1 1 45 ASP HA H 6.212 10.085 -2.879 1.00 . A A . 45 ASP HA 1 1 20 17947 1 1 45 ASP HB2 H 9.118 10.878 -2.646 1.00 . A A . 45 ASP HB2 1 1 20 17948 1 1 45 ASP HB3 H 8.473 9.750 -3.827 1.00 . A A . 45 ASP HB3 1 1 20 17949 1 1 45 ASP N N 6.804 11.449 -1.409 1.00 . A A . 45 ASP N 1 1 20 17950 1 1 45 ASP O O 8.314 9.209 -0.563 1.00 . A A . 45 ASP O 1 1 20 17951 1 1 45 ASP OD1 O 8.262 12.931 -3.796 1.00 . A A . 45 ASP OD1 1 1 20 17952 1 1 45 ASP OD2 O 7.590 11.546 -5.334 1.00 . A A . 45 ASP OD2 1 1 20 17953 1 1 46 TYR C C 8.127 5.834 -1.919 1.00 . A A . 46 TYR C 1 1 20 17954 1 1 46 TYR CA C 7.270 6.803 -1.103 1.00 . A A . 46 TYR CA 1 1 20 17955 1 1 46 TYR CB C 6.077 6.161 -0.416 1.00 . A A . 46 TYR CB 1 1 20 17956 1 1 46 TYR CD1 C 7.486 4.874 1.267 1.00 . A A . 46 TYR CD1 1 1 20 17957 1 1 46 TYR CD2 C 5.832 3.764 0.025 1.00 . A A . 46 TYR CD2 1 1 20 17958 1 1 46 TYR CE1 C 7.844 3.695 1.884 1.00 . A A . 46 TYR CE1 1 1 20 17959 1 1 46 TYR CE2 C 6.172 2.574 0.607 1.00 . A A . 46 TYR CE2 1 1 20 17960 1 1 46 TYR CG C 6.455 4.903 0.318 1.00 . A A . 46 TYR CG 1 1 20 17961 1 1 46 TYR CZ C 7.181 2.542 1.544 1.00 . A A . 46 TYR CZ 1 1 20 17962 1 1 46 TYR H H 6.308 7.962 -2.574 1.00 . A A . 46 TYR H 1 1 20 17963 1 1 46 TYR HA H 7.946 7.108 -0.322 1.00 . A A . 46 TYR HA 1 1 20 17964 1 1 46 TYR HB2 H 5.655 6.857 0.294 1.00 . A A . 46 TYR HB2 1 1 20 17965 1 1 46 TYR HB3 H 5.326 5.918 -1.154 1.00 . A A . 46 TYR HB3 1 1 20 17966 1 1 46 TYR HD1 H 8.000 5.790 1.521 1.00 . A A . 46 TYR HD1 1 1 20 17967 1 1 46 TYR HD2 H 5.049 3.913 -0.691 1.00 . A A . 46 TYR HD2 1 1 20 17968 1 1 46 TYR HE1 H 8.638 3.692 2.612 1.00 . A A . 46 TYR HE1 1 1 20 17969 1 1 46 TYR HE2 H 5.633 1.679 0.338 1.00 . A A . 46 TYR HE2 1 1 20 17970 1 1 46 TYR HH H 7.567 1.410 3.077 1.00 . A A . 46 TYR HH 1 1 20 17971 1 1 46 TYR N N 6.939 7.976 -1.810 1.00 . A A . 46 TYR N 1 1 20 17972 1 1 46 TYR O O 7.739 5.329 -2.970 1.00 . A A . 46 TYR O 1 1 20 17973 1 1 46 TYR OH O 7.528 1.353 2.116 1.00 . A A . 46 TYR OH 1 1 20 17974 1 1 47 ILE C C 10.287 3.396 -1.340 1.00 . A A . 47 ILE C 1 1 20 17975 1 1 47 ILE CA C 10.268 4.739 -2.045 1.00 . A A . 47 ILE CA 1 1 20 17976 1 1 47 ILE CB C 11.687 5.374 -2.065 1.00 . A A . 47 ILE CB 1 1 20 17977 1 1 47 ILE CD1 C 11.286 6.643 -4.281 1.00 . A A . 47 ILE CD1 1 1 20 17978 1 1 47 ILE CG1 C 11.652 6.731 -2.805 1.00 . A A . 47 ILE CG1 1 1 20 17979 1 1 47 ILE CG2 C 12.697 4.434 -2.736 1.00 . A A . 47 ILE CG2 1 1 20 17980 1 1 47 ILE H H 9.271 6.073 -0.550 1.00 . A A . 47 ILE H 1 1 20 17981 1 1 47 ILE HA H 9.937 4.577 -3.061 1.00 . A A . 47 ILE HA 1 1 20 17982 1 1 47 ILE HB H 12.005 5.543 -1.048 1.00 . A A . 47 ILE HB 1 1 20 17983 1 1 47 ILE HD11 H 11.305 7.635 -4.713 1.00 . A A . 47 ILE HD11 1 1 20 17984 1 1 47 ILE HD12 H 10.302 6.210 -4.388 1.00 . A A . 47 ILE HD12 1 1 20 17985 1 1 47 ILE HD13 H 12.014 6.015 -4.774 1.00 . A A . 47 ILE HD13 1 1 20 17986 1 1 47 ILE HG12 H 10.888 7.344 -2.350 1.00 . A A . 47 ILE HG12 1 1 20 17987 1 1 47 ILE HG13 H 12.614 7.210 -2.722 1.00 . A A . 47 ILE HG13 1 1 20 17988 1 1 47 ILE HG21 H 12.736 3.490 -2.212 1.00 . A A . 47 ILE HG21 1 1 20 17989 1 1 47 ILE HG22 H 13.673 4.894 -2.735 1.00 . A A . 47 ILE HG22 1 1 20 17990 1 1 47 ILE HG23 H 12.386 4.259 -3.757 1.00 . A A . 47 ILE HG23 1 1 20 17991 1 1 47 ILE N N 9.297 5.598 -1.405 1.00 . A A . 47 ILE N 1 1 20 17992 1 1 47 ILE O O 10.521 3.325 -0.142 1.00 . A A . 47 ILE O 1 1 20 17993 1 1 48 CYS C C 11.375 0.432 -1.562 1.00 . A A . 48 CYS C 1 1 20 17994 1 1 48 CYS CA C 9.954 1.019 -1.495 1.00 . A A . 48 CYS CA 1 1 20 17995 1 1 48 CYS CB C 9.017 0.102 -2.298 1.00 . A A . 48 CYS CB 1 1 20 17996 1 1 48 CYS H H 9.837 2.469 -3.032 1.00 . A A . 48 CYS H 1 1 20 17997 1 1 48 CYS HA H 9.615 1.095 -0.472 1.00 . A A . 48 CYS HA 1 1 20 17998 1 1 48 CYS HB2 H 8.800 -0.724 -1.632 1.00 . A A . 48 CYS HB2 1 1 20 17999 1 1 48 CYS HB3 H 8.074 0.571 -2.538 1.00 . A A . 48 CYS HB3 1 1 20 18000 1 1 48 CYS N N 10.003 2.343 -2.080 1.00 . A A . 48 CYS N 1 1 20 18001 1 1 48 CYS O O 12.252 1.022 -2.197 1.00 . A A . 48 CYS O 1 1 20 18002 1 1 48 CYS SG S 9.812 -0.603 -3.776 1.00 . A A . 48 CYS SG 1 1 20 18003 1 1 49 ILE C C 13.322 -1.861 -2.370 1.00 . A A . 49 ILE C 1 1 20 18004 1 1 49 ILE CA C 12.873 -1.399 -0.985 1.00 . A A . 49 ILE CA 1 1 20 18005 1 1 49 ILE CB C 12.897 -2.503 0.052 1.00 . A A . 49 ILE CB 1 1 20 18006 1 1 49 ILE CD1 C 12.254 -4.658 -1.159 1.00 . A A . 49 ILE CD1 1 1 20 18007 1 1 49 ILE CG1 C 11.866 -3.564 -0.178 1.00 . A A . 49 ILE CG1 1 1 20 18008 1 1 49 ILE CG2 C 12.646 -1.881 1.374 1.00 . A A . 49 ILE CG2 1 1 20 18009 1 1 49 ILE H H 10.853 -1.243 -0.548 1.00 . A A . 49 ILE H 1 1 20 18010 1 1 49 ILE HA H 13.547 -0.640 -0.635 1.00 . A A . 49 ILE HA 1 1 20 18011 1 1 49 ILE HB H 13.883 -2.939 0.044 1.00 . A A . 49 ILE HB 1 1 20 18012 1 1 49 ILE HD11 H 13.131 -5.177 -0.798 1.00 . A A . 49 ILE HD11 1 1 20 18013 1 1 49 ILE HD12 H 12.468 -4.217 -2.123 1.00 . A A . 49 ILE HD12 1 1 20 18014 1 1 49 ILE HD13 H 11.435 -5.353 -1.259 1.00 . A A . 49 ILE HD13 1 1 20 18015 1 1 49 ILE HG12 H 11.799 -3.923 0.821 1.00 . A A . 49 ILE HG12 1 1 20 18016 1 1 49 ILE HG13 H 10.931 -3.102 -0.456 1.00 . A A . 49 ILE HG13 1 1 20 18017 1 1 49 ILE HG21 H 12.611 -2.633 2.150 1.00 . A A . 49 ILE HG21 1 1 20 18018 1 1 49 ILE HG22 H 11.684 -1.414 1.226 1.00 . A A . 49 ILE HG22 1 1 20 18019 1 1 49 ILE HG23 H 13.396 -1.127 1.561 1.00 . A A . 49 ILE HG23 1 1 20 18020 1 1 49 ILE N N 11.573 -0.753 -0.996 1.00 . A A . 49 ILE N 1 1 20 18021 1 1 49 ILE O O 14.504 -1.898 -2.685 1.00 . A A . 49 ILE O 1 1 20 18022 1 1 50 ASN C C 12.941 -1.373 -5.463 1.00 . A A . 50 ASN C 1 1 20 18023 1 1 50 ASN CA C 12.585 -2.559 -4.591 1.00 . A A . 50 ASN CA 1 1 20 18024 1 1 50 ASN CB C 11.383 -3.302 -5.200 1.00 . A A . 50 ASN CB 1 1 20 18025 1 1 50 ASN CG C 11.173 -4.698 -4.643 1.00 . A A . 50 ASN CG 1 1 20 18026 1 1 50 ASN H H 11.460 -2.039 -2.794 1.00 . A A . 50 ASN H 1 1 20 18027 1 1 50 ASN HA H 13.435 -3.223 -4.583 1.00 . A A . 50 ASN HA 1 1 20 18028 1 1 50 ASN HB2 H 10.478 -2.739 -5.017 1.00 . A A . 50 ASN HB2 1 1 20 18029 1 1 50 ASN HB3 H 11.532 -3.370 -6.265 1.00 . A A . 50 ASN HB3 1 1 20 18030 1 1 50 ASN HD21 H 9.196 -4.606 -5.000 1.00 . A A . 50 ASN HD21 1 1 20 18031 1 1 50 ASN HD22 H 9.771 -6.042 -4.263 1.00 . A A . 50 ASN HD22 1 1 20 18032 1 1 50 ASN N N 12.351 -2.146 -3.192 1.00 . A A . 50 ASN N 1 1 20 18033 1 1 50 ASN ND2 N 9.942 -5.155 -4.642 1.00 . A A . 50 ASN ND2 1 1 20 18034 1 1 50 ASN O O 13.577 -1.522 -6.500 1.00 . A A . 50 ASN O 1 1 20 18035 1 1 50 ASN OD1 O 12.123 -5.374 -4.256 1.00 . A A . 50 ASN OD1 1 1 20 18036 1 1 51 CYS C C 14.111 1.673 -5.194 1.00 . A A . 51 CYS C 1 1 20 18037 1 1 51 CYS CA C 12.844 1.030 -5.758 1.00 . A A . 51 CYS CA 1 1 20 18038 1 1 51 CYS CB C 11.675 2.039 -5.715 1.00 . A A . 51 CYS CB 1 1 20 18039 1 1 51 CYS H H 11.998 -0.057 -4.226 1.00 . A A . 51 CYS H 1 1 20 18040 1 1 51 CYS HA H 13.028 0.760 -6.789 1.00 . A A . 51 CYS HA 1 1 20 18041 1 1 51 CYS HB2 H 11.301 2.163 -4.712 1.00 . A A . 51 CYS HB2 1 1 20 18042 1 1 51 CYS HB3 H 12.060 2.979 -6.068 1.00 . A A . 51 CYS HB3 1 1 20 18043 1 1 51 CYS N N 12.526 -0.188 -5.043 1.00 . A A . 51 CYS N 1 1 20 18044 1 1 51 CYS O O 14.635 2.618 -5.759 1.00 . A A . 51 CYS O 1 1 20 18045 1 1 51 CYS SG S 10.249 1.661 -6.760 1.00 . A A . 51 CYS SG 1 1 20 18046 1 1 52 ALA C C 17.065 1.214 -4.136 1.00 . A A . 52 ALA C 1 1 20 18047 1 1 52 ALA CA C 15.784 1.686 -3.443 1.00 . A A . 52 ALA CA 1 1 20 18048 1 1 52 ALA CB C 15.802 1.314 -1.968 1.00 . A A . 52 ALA CB 1 1 20 18049 1 1 52 ALA H H 14.106 0.371 -3.731 1.00 . A A . 52 ALA H 1 1 20 18050 1 1 52 ALA HA H 15.719 2.763 -3.522 1.00 . A A . 52 ALA HA 1 1 20 18051 1 1 52 ALA HB1 H 15.895 0.243 -1.859 1.00 . A A . 52 ALA HB1 1 1 20 18052 1 1 52 ALA HB2 H 14.888 1.644 -1.496 1.00 . A A . 52 ALA HB2 1 1 20 18053 1 1 52 ALA HB3 H 16.634 1.802 -1.486 1.00 . A A . 52 ALA HB3 1 1 20 18054 1 1 52 ALA N N 14.589 1.144 -4.091 1.00 . A A . 52 ALA N 1 1 20 18055 2 2 1 ALA C C 1.361 8.553 -3.951 1.00 . B B . 301 ALA C 1 1 20 18056 2 2 1 ALA CA C 2.765 8.741 -3.397 1.00 . B B . 301 ALA CA 1 1 20 18057 2 2 1 ALA CB C 3.110 7.567 -2.489 1.00 . B B . 301 ALA CB 1 1 20 18058 2 2 1 ALA HA H 3.465 8.745 -4.220 1.00 . B B . 301 ALA HA 1 1 20 18059 2 2 1 ALA HB1 H 3.012 6.655 -3.061 1.00 . B B . 301 ALA HB1 1 1 20 18060 2 2 1 ALA HB2 H 2.415 7.539 -1.664 1.00 . B B . 301 ALA HB2 1 1 20 18061 2 2 1 ALA HB3 H 4.121 7.665 -2.124 1.00 . B B . 301 ALA HB3 1 1 20 18062 2 2 1 ALA N N 2.887 10.036 -2.667 1.00 . B B . 301 ALA N 1 1 20 18063 2 2 1 ALA O O 0.425 9.329 -3.642 1.00 . B B . 301 ALA O 1 1 20 18064 2 2 2 ARG C C -0.808 6.375 -4.244 1.00 . B B . 302 ARG C 1 1 20 18065 2 2 2 ARG CA C -0.099 7.219 -5.285 1.00 . B B . 302 ARG CA 1 1 20 18066 2 2 2 ARG CB C 0.029 6.450 -6.611 1.00 . B B . 302 ARG CB 1 1 20 18067 2 2 2 ARG CD C 0.187 8.506 -8.091 1.00 . B B . 302 ARG CD 1 1 20 18068 2 2 2 ARG CG C 0.829 7.175 -7.697 1.00 . B B . 302 ARG CG 1 1 20 18069 2 2 2 ARG CZ C -2.121 9.249 -8.694 1.00 . B B . 302 ARG CZ 1 1 20 18070 2 2 2 ARG H H 1.979 6.996 -4.977 1.00 . B B . 302 ARG H 1 1 20 18071 2 2 2 ARG HA H -0.652 8.132 -5.436 1.00 . B B . 302 ARG HA 1 1 20 18072 2 2 2 ARG HB2 H 0.518 5.508 -6.411 1.00 . B B . 302 ARG HB2 1 1 20 18073 2 2 2 ARG HB3 H -0.958 6.245 -6.994 1.00 . B B . 302 ARG HB3 1 1 20 18074 2 2 2 ARG HD2 H 0.082 9.125 -7.213 1.00 . B B . 302 ARG HD2 1 1 20 18075 2 2 2 ARG HD3 H 0.824 8.999 -8.813 1.00 . B B . 302 ARG HD3 1 1 20 18076 2 2 2 ARG HE H -1.269 7.439 -9.101 1.00 . B B . 302 ARG HE 1 1 20 18077 2 2 2 ARG HG2 H 1.827 7.355 -7.329 1.00 . B B . 302 ARG HG2 1 1 20 18078 2 2 2 ARG HG3 H 0.881 6.536 -8.566 1.00 . B B . 302 ARG HG3 1 1 20 18079 2 2 2 ARG HH11 H -1.088 10.707 -7.655 1.00 . B B . 302 ARG HH11 1 1 20 18080 2 2 2 ARG HH12 H -2.677 11.107 -8.093 1.00 . B B . 302 ARG HH12 1 1 20 18081 2 2 2 ARG HH21 H -3.520 8.129 -9.745 1.00 . B B . 302 ARG HH21 1 1 20 18082 2 2 2 ARG HH22 H -4.024 9.677 -9.268 1.00 . B B . 302 ARG HH22 1 1 20 18083 2 2 2 ARG N N 1.193 7.541 -4.760 1.00 . B B . 302 ARG N 1 1 20 18084 2 2 2 ARG NE N -1.142 8.321 -8.686 1.00 . B B . 302 ARG NE 1 1 20 18085 2 2 2 ARG NH1 N -1.937 10.428 -8.116 1.00 . B B . 302 ARG NH1 1 1 20 18086 2 2 2 ARG NH2 N -3.292 8.988 -9.282 1.00 . B B . 302 ARG NH2 1 1 20 18087 2 2 2 ARG O O -0.309 5.337 -3.851 1.00 . B B . 302 ARG O 1 1 20 18088 2 2 3 THR C C -4.059 5.777 -3.140 1.00 . B B . 303 THR C 1 1 20 18089 2 2 3 THR CA C -2.634 6.123 -2.729 1.00 . B B . 303 THR CA 1 1 20 18090 2 2 3 THR CB C -2.620 6.930 -1.414 1.00 . B B . 303 THR CB 1 1 20 18091 2 2 3 THR CG2 C -1.249 6.857 -0.767 1.00 . B B . 303 THR CG2 1 1 20 18092 2 2 3 THR H H -2.330 7.653 -4.116 1.00 . B B . 303 THR H 1 1 20 18093 2 2 3 THR HA H -2.085 5.207 -2.559 1.00 . B B . 303 THR HA 1 1 20 18094 2 2 3 THR HB H -3.350 6.498 -0.746 1.00 . B B . 303 THR HB 1 1 20 18095 2 2 3 THR HG1 H -2.189 8.825 -1.906 1.00 . B B . 303 THR HG1 1 1 20 18096 2 2 3 THR HG21 H -1.253 7.378 0.177 1.00 . B B . 303 THR HG21 1 1 20 18097 2 2 3 THR HG22 H -0.518 7.293 -1.435 1.00 . B B . 303 THR HG22 1 1 20 18098 2 2 3 THR HG23 H -1.014 5.813 -0.606 1.00 . B B . 303 THR HG23 1 1 20 18099 2 2 3 THR N N -1.931 6.827 -3.770 1.00 . B B . 303 THR N 1 1 20 18100 2 2 3 THR O O -4.628 6.415 -4.039 1.00 . B B . 303 THR O 1 1 20 18101 2 2 3 THR OG1 O -2.977 8.313 -1.675 1.00 . B B . 303 THR OG1 1 1 20 18102 2 2 4 . C C -6.522 3.486 -1.655 1.00 . B B . 304 M3L C 1 1 20 18103 2 2 4 . CA C -5.974 4.294 -2.812 1.00 . B B . 304 M3L CA 1 1 20 18104 2 2 4 . CB C -5.939 3.397 -4.064 1.00 . B B . 304 M3L CB 1 1 20 18105 2 2 4 . CD C -4.806 1.401 -5.111 1.00 . B B . 304 M3L CD 1 1 20 18106 2 2 4 . CE C -5.998 0.629 -5.588 1.00 . B B . 304 M3L CE 1 1 20 18107 2 2 4 . CG C -5.033 2.230 -3.874 1.00 . B B . 304 M3L CG 1 1 20 18108 2 2 4 . CM1 C -4.514 -1.106 -6.605 1.00 . B B . 304 M3L CM1 1 1 20 18109 2 2 4 . CM2 C -5.366 0.747 -7.974 1.00 . B B . 304 M3L CM2 1 1 20 18110 2 2 4 . CM3 C -6.807 -1.033 -7.194 1.00 . B B . 304 M3L CM3 1 1 20 18111 2 2 4 . H H -4.123 4.312 -1.776 1.00 . B B . 304 M3L H 1 1 20 18112 2 2 4 . HA H -6.607 5.143 -3.010 1.00 . B B . 304 M3L HA 1 1 20 18113 2 2 4 . HB2 H -5.634 3.951 -4.940 1.00 . B B . 304 M3L HB2 1 1 20 18114 2 2 4 . HB3 H -6.924 2.978 -4.192 1.00 . B B . 304 M3L HB3 1 1 20 18115 2 2 4 . HD2 H -3.987 0.729 -4.896 1.00 . B B . 304 M3L HD2 1 1 20 18116 2 2 4 . HD3 H -4.504 2.082 -5.886 1.00 . B B . 304 M3L HD3 1 1 20 18117 2 2 4 . HE2 H -6.800 1.321 -5.799 1.00 . B B . 304 M3L HE2 1 1 20 18118 2 2 4 . HE3 H -6.279 -0.023 -4.779 1.00 . B B . 304 M3L HE3 1 1 20 18119 2 2 4 . HG2 H -5.467 1.613 -3.099 1.00 . B B . 304 M3L HG2 1 1 20 18120 2 2 4 . HG3 H -4.078 2.626 -3.563 1.00 . B B . 304 M3L HG3 1 1 20 18121 2 2 4 . HM11 H -3.613 -0.566 -6.337 1.00 . B B . 304 M3L HM11 1 1 20 18122 2 2 4 . HM12 H -4.227 -1.650 -7.493 1.00 . B B . 304 M3L HM12 1 1 20 18123 2 2 4 . HM13 H -4.678 -1.846 -5.831 1.00 . B B . 304 M3L HM13 1 1 20 18124 2 2 4 . HM21 H -4.394 1.207 -7.872 1.00 . B B . 304 M3L HM21 1 1 20 18125 2 2 4 . HM22 H -6.075 1.557 -8.045 1.00 . B B . 304 M3L HM22 1 1 20 18126 2 2 4 . HM23 H -5.382 0.263 -8.937 1.00 . B B . 304 M3L HM23 1 1 20 18127 2 2 4 . HM31 H -6.516 -1.933 -7.714 1.00 . B B . 304 M3L HM31 1 1 20 18128 2 2 4 . HM32 H -7.499 -0.529 -7.849 1.00 . B B . 304 M3L HM32 1 1 20 18129 2 2 4 . HM33 H -7.372 -1.366 -6.338 1.00 . B B . 304 M3L HM33 1 1 20 18130 2 2 4 . N N -4.624 4.765 -2.496 1.00 . B B . 304 M3L N 1 1 20 18131 2 2 4 . NZ N -5.671 -0.191 -6.841 1.00 . B B . 304 M3L NZ 1 1 20 18132 2 2 4 . O O -5.796 3.176 -0.697 1.00 . B B . 304 M3L O 1 1 20 18133 2 2 5 GLN C C -9.397 1.420 -1.558 1.00 . B B . 305 GLN C 1 1 20 18134 2 2 5 GLN CA C -8.438 2.316 -0.796 1.00 . B B . 305 GLN CA 1 1 20 18135 2 2 5 GLN CB C -9.188 3.195 0.202 1.00 . B B . 305 GLN CB 1 1 20 18136 2 2 5 GLN CD C -10.527 3.354 2.309 1.00 . B B . 305 GLN CD 1 1 20 18137 2 2 5 GLN CG C -9.814 2.438 1.351 1.00 . B B . 305 GLN CG 1 1 20 18138 2 2 5 GLN H H -8.311 3.436 -2.525 1.00 . B B . 305 GLN H 1 1 20 18139 2 2 5 GLN HA H -7.705 1.713 -0.282 1.00 . B B . 305 GLN HA 1 1 20 18140 2 2 5 GLN HB2 H -8.503 3.923 0.614 1.00 . B B . 305 GLN HB2 1 1 20 18141 2 2 5 GLN HB3 H -9.972 3.716 -0.329 1.00 . B B . 305 GLN HB3 1 1 20 18142 2 2 5 GLN HE21 H -8.845 3.643 3.314 1.00 . B B . 305 GLN HE21 1 1 20 18143 2 2 5 GLN HE22 H -10.224 4.468 3.908 1.00 . B B . 305 GLN HE22 1 1 20 18144 2 2 5 GLN HG2 H -10.530 1.738 0.949 1.00 . B B . 305 GLN HG2 1 1 20 18145 2 2 5 GLN HG3 H -9.036 1.909 1.881 1.00 . B B . 305 GLN HG3 1 1 20 18146 2 2 5 GLN N N -7.777 3.134 -1.761 1.00 . B B . 305 GLN N 1 1 20 18147 2 2 5 GLN NE2 N -9.809 3.866 3.263 1.00 . B B . 305 GLN NE2 1 1 20 18148 2 2 5 GLN O O -10.181 1.906 -2.392 1.00 . B B . 305 GLN O 1 1 20 18149 2 2 5 GLN OE1 O -11.721 3.623 2.165 1.00 . B B . 305 GLN OE1 1 1 20 18150 2 2 6 THR C C -11.283 -1.270 -1.112 1.00 . B B . 306 THR C 1 1 20 18151 2 2 6 THR CA C -10.183 -0.790 -2.041 1.00 . B B . 306 THR CA 1 1 20 18152 2 2 6 THR CB C -9.391 -2.018 -2.577 1.00 . B B . 306 THR CB 1 1 20 18153 2 2 6 THR CG2 C -8.318 -1.605 -3.602 1.00 . B B . 306 THR CG2 1 1 20 18154 2 2 6 THR H H -8.686 -0.190 -0.650 1.00 . B B . 306 THR H 1 1 20 18155 2 2 6 THR HA H -10.622 -0.265 -2.878 1.00 . B B . 306 THR HA 1 1 20 18156 2 2 6 THR HB H -10.086 -2.700 -3.043 1.00 . B B . 306 THR HB 1 1 20 18157 2 2 6 THR HG1 H -9.349 -2.535 -0.722 1.00 . B B . 306 THR HG1 1 1 20 18158 2 2 6 THR HG21 H -8.753 -1.092 -4.445 1.00 . B B . 306 THR HG21 1 1 20 18159 2 2 6 THR HG22 H -7.790 -2.480 -3.953 1.00 . B B . 306 THR HG22 1 1 20 18160 2 2 6 THR HG23 H -7.567 -0.981 -3.140 1.00 . B B . 306 THR HG23 1 1 20 18161 2 2 6 THR N N -9.322 0.133 -1.331 1.00 . B B . 306 THR N 1 1 20 18162 2 2 6 THR O O -10.984 -1.889 -0.081 1.00 . B B . 306 THR O 1 1 20 18163 2 2 6 THR OG1 O -8.773 -2.716 -1.481 1.00 . B B . 306 THR OG1 1 1 20 18164 2 2 7 ALA C C -14.078 -2.804 -0.997 1.00 . B B . 307 ALA C 1 1 20 18165 2 2 7 ALA CA C -13.654 -1.387 -0.651 1.00 . B B . 307 ALA CA 1 1 20 18166 2 2 7 ALA CB C -14.819 -0.412 -0.799 1.00 . B B . 307 ALA CB 1 1 20 18167 2 2 7 ALA H H -12.700 -0.511 -2.304 1.00 . B B . 307 ALA H 1 1 20 18168 2 2 7 ALA HA H -13.325 -1.380 0.378 1.00 . B B . 307 ALA HA 1 1 20 18169 2 2 7 ALA HB1 H -14.484 0.595 -0.599 1.00 . B B . 307 ALA HB1 1 1 20 18170 2 2 7 ALA HB2 H -15.587 -0.661 -0.080 1.00 . B B . 307 ALA HB2 1 1 20 18171 2 2 7 ALA HB3 H -15.219 -0.468 -1.801 1.00 . B B . 307 ALA HB3 1 1 20 18172 2 2 7 ALA N N -12.525 -0.987 -1.462 1.00 . B B . 307 ALA N 1 1 20 18173 2 2 7 ALA O O -14.481 -3.093 -2.141 1.00 . B B . 307 ALA O 1 1 20 18174 2 2 8 ARG C C -15.689 -5.356 0.322 1.00 . B B . 308 ARG C 1 1 20 18175 2 2 8 ARG CA C -14.294 -5.070 -0.211 1.00 . B B . 308 ARG CA 1 1 20 18176 2 2 8 ARG CB C -13.245 -5.941 0.495 1.00 . B B . 308 ARG CB 1 1 20 18177 2 2 8 ARG CD C -11.622 -5.879 -1.431 1.00 . B B . 308 ARG CD 1 1 20 18178 2 2 8 ARG CG C -11.816 -5.643 0.057 1.00 . B B . 308 ARG CG 1 1 20 18179 2 2 8 ARG CZ C -9.662 -5.865 -2.961 1.00 . B B . 308 ARG CZ 1 1 20 18180 2 2 8 ARG H H -13.668 -3.370 0.854 1.00 . B B . 308 ARG H 1 1 20 18181 2 2 8 ARG HA H -14.280 -5.285 -1.268 1.00 . B B . 308 ARG HA 1 1 20 18182 2 2 8 ARG HB2 H -13.324 -5.762 1.556 1.00 . B B . 308 ARG HB2 1 1 20 18183 2 2 8 ARG HB3 H -13.450 -6.982 0.308 1.00 . B B . 308 ARG HB3 1 1 20 18184 2 2 8 ARG HD2 H -11.691 -6.934 -1.637 1.00 . B B . 308 ARG HD2 1 1 20 18185 2 2 8 ARG HD3 H -12.387 -5.356 -1.986 1.00 . B B . 308 ARG HD3 1 1 20 18186 2 2 8 ARG HE H -9.945 -4.668 -1.355 1.00 . B B . 308 ARG HE 1 1 20 18187 2 2 8 ARG HG2 H -11.594 -4.612 0.286 1.00 . B B . 308 ARG HG2 1 1 20 18188 2 2 8 ARG HG3 H -11.149 -6.285 0.612 1.00 . B B . 308 ARG HG3 1 1 20 18189 2 2 8 ARG HH11 H -11.002 -7.354 -3.409 1.00 . B B . 308 ARG HH11 1 1 20 18190 2 2 8 ARG HH12 H -9.658 -7.252 -4.450 1.00 . B B . 308 ARG HH12 1 1 20 18191 2 2 8 ARG HH21 H -8.142 -4.514 -2.833 1.00 . B B . 308 ARG HH21 1 1 20 18192 2 2 8 ARG HH22 H -8.004 -5.642 -4.125 1.00 . B B . 308 ARG HH22 1 1 20 18193 2 2 8 ARG N N -13.973 -3.676 -0.034 1.00 . B B . 308 ARG N 1 1 20 18194 2 2 8 ARG NE N -10.316 -5.404 -1.889 1.00 . B B . 308 ARG NE 1 1 20 18195 2 2 8 ARG NH1 N -10.145 -6.886 -3.653 1.00 . B B . 308 ARG NH1 1 1 20 18196 2 2 8 ARG NH2 N -8.524 -5.292 -3.336 1.00 . B B . 308 ARG NH2 1 1 20 18197 2 2 8 ARG O O -16.098 -4.811 1.352 1.00 . B B . 308 ARG O 1 1 20 18198 2 2 9 LYS C C -17.907 -7.866 0.714 1.00 . B B . 309 LYS C 1 1 20 18199 2 2 9 LYS CA C -17.800 -6.526 -0.050 1.00 . B B . 309 LYS CA 1 1 20 18200 2 2 9 LYS CB C -18.620 -6.577 -1.335 1.00 . B B . 309 LYS CB 1 1 20 18201 2 2 9 LYS CD C -19.281 -5.398 -3.463 1.00 . B B . 309 LYS CD 1 1 20 18202 2 2 9 LYS CE C -19.197 -4.106 -4.252 1.00 . B B . 309 LYS CE 1 1 20 18203 2 2 9 LYS CG C -18.556 -5.284 -2.135 1.00 . B B . 309 LYS CG 1 1 20 18204 2 2 9 LYS H H -15.991 -6.649 -1.148 1.00 . B B . 309 LYS H 1 1 20 18205 2 2 9 LYS HA H -18.177 -5.736 0.583 1.00 . B B . 309 LYS HA 1 1 20 18206 2 2 9 LYS HB2 H -18.254 -7.385 -1.950 1.00 . B B . 309 LYS HB2 1 1 20 18207 2 2 9 LYS HB3 H -19.653 -6.755 -1.081 1.00 . B B . 309 LYS HB3 1 1 20 18208 2 2 9 LYS HD2 H -18.836 -6.192 -4.044 1.00 . B B . 309 LYS HD2 1 1 20 18209 2 2 9 LYS HD3 H -20.319 -5.630 -3.281 1.00 . B B . 309 LYS HD3 1 1 20 18210 2 2 9 LYS HE2 H -19.733 -3.340 -3.712 1.00 . B B . 309 LYS HE2 1 1 20 18211 2 2 9 LYS HE3 H -18.160 -3.824 -4.348 1.00 . B B . 309 LYS HE3 1 1 20 18212 2 2 9 LYS HG2 H -19.004 -4.492 -1.554 1.00 . B B . 309 LYS HG2 1 1 20 18213 2 2 9 LYS HG3 H -17.519 -5.040 -2.314 1.00 . B B . 309 LYS HG3 1 1 20 18214 2 2 9 LYS HZ1 H -19.717 -3.356 -6.119 1.00 . B B . 309 LYS HZ1 1 1 20 18215 2 2 9 LYS HZ2 H -20.791 -4.519 -5.550 1.00 . B B . 309 LYS HZ2 1 1 20 18216 2 2 9 LYS HZ3 H -19.279 -4.972 -6.149 1.00 . B B . 309 LYS HZ3 1 1 20 18217 2 2 9 LYS N N -16.406 -6.204 -0.382 1.00 . B B . 309 LYS N 1 1 20 18218 2 2 9 LYS NZ N -19.787 -4.252 -5.596 1.00 . B B . 309 LYS NZ 1 1 20 18219 3 3 1 ZN ZN ZN 8.883 0.118 -5.750 1.00 . C A . 53 ZN ZN 1 1 20 18220 4 3 1 ZN ZN ZN 0.250 -5.852 1.209 1.00 . D A . 54 ZN ZN 1 1 stop_ save_
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